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 2i0t_1_D DATA FIRST_RESID 59 DATA SEQUENCE HISLNPDLAN EDEVNScDYW RHcAVDGFLc SccGGTTTTc PPGSTPSPIS DATA SEQUENCE XIGTcHNPHD GKDYLISYHD ccGKTAcGRc QcNTQTRERP GYEFFLHNDV DATA SEQUENCE NWcMANENST FHcTTSVLVG L VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 59 H HA 0.000 nan 4.556 nan 0.000 0.296 59 H C 0.000 175.317 175.328 -0.018 0.000 0.993 59 H CA 0.000 56.041 56.048 -0.012 0.000 1.023 59 H CB 0.000 29.756 29.762 -0.010 0.000 1.292 60 I N 2.277 122.824 120.570 -0.038 0.000 2.264 60 I HA -0.054 -14.816 4.170 -31.553 0.000 0.248 60 I C 2.650 178.750 176.117 -0.029 0.000 1.111 60 I CA 3.498 64.773 61.300 -0.043 0.000 1.382 60 I CB -1.599 36.356 38.000 -0.074 0.000 1.060 60 I HN 1.223 nan 8.210 nan 0.000 0.418 61 S N -0.431 115.227 115.700 -0.071 0.000 2.515 61 S HA 0.071 -14.391 4.470 -31.553 0.000 0.231 61 S C 1.654 176.387 174.600 0.222 0.000 0.987 61 S CA 1.360 59.577 58.200 0.028 0.000 0.936 61 S CB -0.569 62.582 63.200 -0.081 0.000 0.766 61 S HN 0.741 nan 8.310 nan 0.000 0.528 62 L N 0.547 121.825 121.223 0.092 0.000 2.640 62 L HA 0.359 -14.233 4.340 -31.553 0.000 0.230 62 L C -0.009 176.897 176.870 0.060 0.000 1.123 62 L CA -0.082 54.803 54.840 0.076 0.000 0.900 62 L CB -0.189 41.856 42.059 -0.024 0.000 1.146 62 L HN 0.219 nan 8.230 nan 0.000 0.484 63 N N 1.081 119.821 118.700 0.067 0.000 2.804 63 N HA 0.195 -13.997 4.740 -31.553 0.000 0.251 63 N C -1.938 173.599 175.510 0.044 0.000 1.250 63 N CA -0.914 52.159 53.050 0.038 0.000 0.820 63 N CB 1.517 40.014 38.487 0.016 0.000 1.156 63 N HN -0.066 nan 8.380 nan 0.000 0.512 64 P HA -0.068 nan 4.420 nan 0.000 0.222 64 P C 0.421 177.698 177.300 -0.040 0.000 1.147 64 P CA 0.998 64.100 63.100 0.003 0.000 0.790 64 P CB 0.598 32.287 31.700 -0.017 0.000 0.780 65 D N -0.217 120.171 120.400 -0.020 0.000 2.264 65 D HA -0.052 -14.344 4.640 -31.553 0.000 0.208 65 D C 1.933 178.219 176.300 -0.023 0.000 0.966 65 D CA 0.857 54.842 54.000 -0.024 0.000 0.864 65 D CB -0.428 40.363 40.800 -0.015 0.000 0.933 65 D HN 0.277 nan 8.370 nan 0.000 0.499 66 L N -0.254 120.959 121.223 -0.017 0.000 2.477 66 L HA 0.243 -14.349 4.340 -31.553 0.000 0.220 66 L C 1.298 178.156 176.870 -0.020 0.000 1.106 66 L CA -0.178 54.652 54.840 -0.016 0.000 0.851 66 L CB -0.140 41.913 42.059 -0.010 0.000 0.994 66 L HN -0.120 nan 8.230 nan 0.000 0.462 67 A N 0.499 123.303 122.820 -0.026 0.000 2.280 67 A HA 0.184 -14.428 4.320 -31.553 0.000 0.268 67 A C 0.119 177.674 177.584 -0.049 0.000 1.111 67 A CA -0.348 51.671 52.037 -0.030 0.000 0.814 67 A CB 0.027 19.015 19.000 -0.020 0.000 1.093 67 A HN 0.267 nan 8.150 nan 0.000 0.498 68 N N -0.244 118.432 118.700 -0.041 0.000 2.468 68 N HA 0.014 -14.178 4.740 -31.553 0.000 0.265 68 N C 0.730 176.196 175.510 -0.075 0.000 1.199 68 N CA 0.594 53.620 53.050 -0.040 0.000 0.928 68 N CB 0.410 38.888 38.487 -0.015 0.000 1.059 68 N HN 0.612 nan 8.380 nan 0.000 0.467 69 E N 1.833 121.997 120.200 -0.061 0.000 2.110 69 E HA -0.173 -14.755 4.350 -31.553 0.000 0.193 69 E C 0.395 176.956 176.600 -0.065 0.000 0.988 69 E CA 1.054 57.411 56.400 -0.072 0.000 0.804 69 E CB 0.101 29.774 29.700 -0.046 0.000 0.745 69 E HN 0.678 nan 8.360 nan 0.000 0.458 70 D N 0.566 120.944 120.400 -0.038 0.000 2.178 70 D HA -0.166 -14.457 4.640 -31.553 0.000 0.201 70 D C 1.744 178.034 176.300 -0.017 0.000 0.980 70 D CA 0.843 54.832 54.000 -0.018 0.000 0.842 70 D CB -0.079 40.721 40.800 -0.001 0.000 0.948 70 D HN 0.267 nan 8.370 nan 0.000 0.472 71 E N 0.310 120.487 120.200 -0.038 0.000 2.046 71 E HA -0.099 -14.681 4.350 -31.553 0.000 0.190 71 E C 2.029 178.520 176.600 -0.182 0.000 0.982 71 E CA 0.505 56.887 56.400 -0.029 0.000 0.800 71 E CB 0.288 29.994 29.700 0.010 0.000 0.756 71 E HN -0.016 nan 8.360 nan 0.000 0.449 72 V N 2.012 121.691 119.914 -0.392 0.000 2.626 72 V HA -0.158 -14.970 4.120 -31.553 0.000 0.252 72 V C 1.249 177.254 176.094 -0.148 0.000 1.067 72 V CA 1.309 63.206 62.300 -0.672 0.000 1.081 72 V CB -0.391 31.088 31.823 -0.573 0.000 0.686 72 V HN 0.253 nan 8.190 nan 0.000 0.468 73 N N 0.037 118.701 118.700 -0.059 0.000 2.362 73 N HA 0.062 -14.130 4.740 -31.553 0.000 0.204 73 N C 0.451 175.995 175.510 0.058 0.000 1.166 73 N CA 0.231 53.290 53.050 0.014 0.000 0.831 73 N CB 0.387 38.869 38.487 -0.009 0.000 1.008 73 N HN 0.380 nan 8.380 nan 0.000 0.472 74 S N -0.794 114.972 115.700 0.110 0.000 2.509 74 S HA 0.210 -14.252 4.470 -31.553 0.000 0.297 74 S C 1.327 176.066 174.600 0.232 0.000 1.118 74 S CA -0.689 57.593 58.200 0.137 0.000 1.074 74 S CB 0.778 64.056 63.200 0.129 0.000 1.038 74 S HN 0.300 nan 8.310 nan 0.000 0.498 75 c N 2.571 121.265 118.600 0.157 0.000 2.422 75 c HA 0.012 -14.350 4.570 -31.553 0.000 0.286 75 c C 1.695 175.901 174.090 0.193 0.000 1.412 75 c CA 0.239 56.662 56.329 0.157 0.000 1.786 75 c CB -1.180 41.374 42.510 0.073 0.000 1.835 75 c HN 0.806 nan 8.230 nan 0.000 0.533 76 D N -1.023 119.486 120.400 0.182 0.000 2.355 76 D HA 0.007 -14.285 4.640 -31.553 0.000 0.218 76 D C 0.540 176.967 176.300 0.212 0.000 1.004 76 D CA 0.064 54.164 54.000 0.168 0.000 0.880 76 D CB -0.292 40.590 40.800 0.136 0.000 0.911 76 D HN 0.640 nan 8.370 nan 0.000 0.528 77 Y N 2.218 122.571 120.300 0.089 0.000 2.717 77 Y HA -0.161 -14.545 4.550 -31.556 0.000 0.330 77 Y C 1.816 177.660 175.900 -0.093 0.000 1.217 77 Y CA -0.672 57.414 58.100 -0.023 0.000 1.506 77 Y CB 0.577 38.918 38.460 -0.198 0.000 1.268 77 Y HN 0.095 nan 8.280 nan 0.000 0.561 78 W N 6.750 127.716 121.300 -0.556 0.000 2.350 78 W HA -0.227 -14.496 4.660 -31.548 0.000 0.289 78 W C 1.192 177.513 176.519 -0.330 0.000 1.215 78 W CA 1.468 58.595 57.345 -0.364 0.000 1.236 78 W CB -0.532 28.728 29.460 -0.334 0.000 1.130 78 W HN 0.690 nan 8.180 nan 0.000 0.541 79 R N 0.094 119.650 120.500 -1.573 0.000 2.313 79 R HA -0.015 -14.607 4.340 -31.553 0.000 0.199 79 R C 0.789 176.910 176.300 -0.298 0.000 0.958 79 R CA 0.867 56.259 56.100 -1.180 0.000 1.047 79 R CB -0.993 28.359 30.300 -1.580 0.000 0.955 79 R HN 0.070 nan 8.270 nan 0.000 0.481 80 H N 0.668 119.683 119.070 -0.092 0.000 2.660 80 H HA 0.094 -14.283 4.556 -31.555 0.000 0.310 80 H C 1.255 176.614 175.328 0.051 0.000 1.080 80 H CA -0.765 55.340 56.048 0.095 0.000 1.145 80 H CB 0.020 29.841 29.762 0.098 0.000 1.432 80 H HN 0.456 nan 8.280 nan 0.000 0.542 81 c N -1.103 117.611 118.600 0.190 0.000 2.500 81 c HA 0.479 -13.883 4.570 -31.553 0.000 0.273 81 c C 1.696 175.797 174.090 0.019 0.000 1.428 81 c CA 0.321 56.721 56.329 0.118 0.000 1.766 81 c CB -0.750 41.854 42.510 0.156 0.000 1.817 81 c HN 0.478 nan 8.230 nan 0.000 0.543 82 A N 0.345 123.085 122.820 -0.133 0.000 2.806 82 A HA 0.603 -14.009 4.320 -31.553 0.000 0.266 82 A C -0.205 176.919 177.584 -0.766 0.000 0.926 82 A CA -0.073 51.748 52.037 -0.360 0.000 1.068 82 A CB -0.116 18.760 19.000 -0.207 0.000 1.189 82 A HN 0.306 nan 8.150 nan 0.000 0.481 83 V N 1.269 120.841 119.914 -0.569 0.000 2.461 83 V HA 0.297 -14.515 4.120 -31.553 0.000 0.275 83 V C -0.369 175.540 176.094 -0.308 0.000 1.047 83 V CA -0.133 61.880 62.300 -0.478 0.000 0.955 83 V CB 1.431 33.098 31.823 -0.260 0.000 0.988 83 V HN 0.534 nan 8.190 nan 0.000 0.471 84 D N 3.730 123.950 120.400 -0.299 0.000 2.432 84 D HA 0.622 -13.670 4.640 -31.553 0.000 0.265 84 D C 0.096 176.200 176.300 -0.327 0.000 1.160 84 D CA 0.458 54.285 54.000 -0.287 0.000 0.911 84 D CB 0.690 41.310 40.800 -0.299 0.000 1.052 84 D HN 0.800 nan 8.370 nan 0.000 0.508 85 G N 0.987 109.599 108.800 -0.314 0.000 2.323 85 G HA2 0.241 -14.731 3.960 -31.553 0.000 0.291 85 G HA3 0.241 -14.731 3.960 -31.553 0.000 0.291 85 G C -1.481 173.208 174.900 -0.353 0.000 1.278 85 G CA -0.981 43.924 45.100 -0.324 0.000 0.860 85 G HN 0.136 nan 8.290 nan 0.000 0.504 86 F N 0.877 120.923 119.950 0.160 0.000 2.410 86 F HA 0.545 -13.856 4.527 -31.547 0.000 0.349 86 F C 1.000 176.758 175.800 -0.071 0.000 1.117 86 F CA -0.787 57.206 58.000 -0.011 0.000 1.104 86 F CB 1.452 40.397 39.000 -0.091 0.000 1.122 86 F HN 0.121 nan 8.300 nan 0.000 0.483 87 L N 3.368 124.621 121.223 0.049 0.000 2.477 87 L HA -0.022 -14.614 4.340 -31.553 0.000 0.272 87 L C 0.865 177.717 176.870 -0.029 0.000 1.157 87 L CA -0.394 54.408 54.840 -0.063 0.000 0.889 87 L CB 0.378 42.347 42.059 -0.150 0.000 1.158 87 L HN 0.945 nan 8.230 nan 0.000 0.473 88 c N 0.512 119.098 118.600 -0.023 0.000 2.419 88 c HA -0.153 -14.515 4.570 -31.553 0.000 0.281 88 c C 2.789 176.869 174.090 -0.016 0.000 1.336 88 c CA 1.145 57.460 56.329 -0.024 0.000 1.770 88 c CB -0.952 41.565 42.510 0.012 0.000 1.929 88 c HN 1.035 nan 8.230 nan 0.000 0.509 89 S N -0.995 114.700 115.700 -0.009 0.000 2.507 89 S HA -0.125 -14.587 4.470 -31.553 0.000 0.235 89 S C 1.223 175.811 174.600 -0.019 0.000 0.988 89 S CA 1.433 59.628 58.200 -0.008 0.000 0.944 89 S CB -0.761 62.438 63.200 -0.000 0.000 0.762 89 S HN 0.709 nan 8.310 nan 0.000 0.526 90 c N 0.260 118.845 118.600 -0.026 0.000 2.791 90 c HA 0.398 -13.964 4.570 -31.553 0.000 0.270 90 c C 1.562 175.625 174.090 -0.046 0.000 1.257 90 c CA -0.626 55.686 56.329 -0.030 0.000 1.699 90 c CB -1.618 40.879 42.510 -0.022 0.000 1.904 90 c HN 0.694 nan 8.230 nan 0.000 0.603 91 c N 0.534 119.104 118.600 -0.050 0.000 2.994 91 c HA 0.492 -13.870 4.570 -31.553 0.000 0.284 91 c C 1.839 175.928 174.090 -0.001 0.000 1.404 91 c CA 0.429 56.718 56.329 -0.067 0.000 1.775 91 c CB -1.342 41.069 42.510 -0.166 0.000 2.458 91 c HN 0.767 nan 8.230 nan 0.000 0.593 92 G N 0.711 109.509 108.800 -0.003 0.000 2.175 92 G HA2 -0.054 -15.025 3.960 -31.553 0.000 0.244 92 G HA3 -0.054 -15.025 3.960 -31.553 0.000 0.244 92 G C 0.338 175.245 174.900 0.012 0.000 0.982 92 G CA 0.157 45.262 45.100 0.008 0.000 0.641 92 G HN 0.789 nan 8.290 nan 0.000 0.527 93 G N -1.120 107.687 108.800 0.012 0.000 2.971 93 G HA2 0.928 -14.044 3.960 -31.553 0.000 0.235 93 G HA3 0.928 -14.044 3.960 -31.553 0.000 0.235 93 G C 0.173 175.076 174.900 0.005 0.000 1.351 93 G CA 0.878 45.986 45.100 0.014 0.000 1.039 93 G HN 1.404 nan 8.290 nan 0.000 0.563 94 T N -4.967 109.592 114.554 0.008 0.000 2.742 94 T HA 0.442 -14.140 4.350 -31.553 0.000 0.282 94 T C 1.209 175.922 174.700 0.021 0.000 1.025 94 T CA 0.428 62.532 62.100 0.005 0.000 1.020 94 T CB 1.061 69.928 68.868 -0.002 0.000 1.317 94 T HN 0.233 nan 8.240 nan 0.000 0.538 95 T N 1.263 115.834 114.554 0.028 0.000 2.849 95 T HA -0.010 -14.592 4.350 -31.553 0.000 0.270 95 T C 1.543 176.271 174.700 0.047 0.000 1.066 95 T CA 1.934 64.072 62.100 0.063 0.000 1.130 95 T CB -0.630 68.278 68.868 0.068 0.000 0.864 95 T HN 0.961 nan 8.240 nan 0.000 0.481 96 T N -0.451 114.116 114.554 0.021 0.000 3.170 96 T HA 0.291 -14.290 4.350 -31.553 0.000 0.288 96 T C 0.253 174.953 174.700 -0.001 0.000 0.992 96 T CA -0.420 61.684 62.100 0.006 0.000 0.909 96 T CB 0.186 69.048 68.868 -0.009 0.000 1.133 96 T HN 0.381 nan 8.240 nan 0.000 0.530 97 T N -0.688 113.871 114.554 0.009 0.000 2.916 97 T HA 0.592 -13.989 4.350 -31.553 0.000 0.298 97 T C -0.167 174.545 174.700 0.020 0.000 1.031 97 T CA -0.671 61.432 62.100 0.006 0.000 0.993 97 T CB 0.863 69.731 68.868 0.001 0.000 1.045 97 T HN 0.217 nan 8.240 nan 0.000 0.454 98 c N 4.235 122.849 118.600 0.023 0.000 2.652 98 c HA 0.456 -13.906 4.570 -31.553 0.000 0.412 98 c C -1.798 172.314 174.090 0.037 0.000 1.294 98 c CA -0.624 55.730 56.329 0.041 0.000 2.127 98 c CB -0.202 42.332 42.510 0.040 0.000 2.691 98 c HN 0.716 nan 8.230 nan 0.000 0.615 99 P HA 0.109 nan 4.420 nan 0.000 0.266 99 P C -2.477 174.830 177.300 0.012 0.000 1.193 99 P CA -0.522 62.612 63.100 0.057 0.000 0.770 99 P CB -0.291 31.499 31.700 0.151 0.000 0.836 100 P HA -0.008 nan 4.420 nan 0.000 0.261 100 P C 0.974 178.240 177.300 -0.056 0.000 1.173 100 P CA 1.600 64.685 63.100 -0.025 0.000 0.760 100 P CB -0.098 31.589 31.700 -0.022 0.000 0.783 101 G N 1.842 110.609 108.800 -0.055 0.000 2.159 101 G HA2 -0.211 -15.182 3.960 -31.553 0.000 0.256 101 G HA3 -0.211 -15.182 3.960 -31.553 0.000 0.256 101 G C 0.183 175.020 174.900 -0.106 0.000 0.977 101 G CA 0.262 45.317 45.100 -0.075 0.000 0.652 101 G HN 0.815 nan 8.290 nan 0.000 0.531 102 S N -0.604 115.036 115.700 -0.100 0.000 2.537 102 S HA 0.797 -13.665 4.470 -31.553 0.000 0.301 102 S C -0.304 174.285 174.600 -0.018 0.000 1.092 102 S CA 0.079 58.223 58.200 -0.094 0.000 1.048 102 S CB 2.491 65.620 63.200 -0.120 0.000 1.053 102 S HN 0.516 nan 8.310 nan 0.000 0.501 103 T N 3.994 118.551 114.554 0.006 0.000 2.794 103 T HA 0.534 -14.048 4.350 -31.553 0.000 0.280 103 T C -2.749 171.987 174.700 0.059 0.000 0.987 103 T CA -1.308 60.809 62.100 0.027 0.000 0.993 103 T CB 1.269 70.155 68.868 0.030 0.000 0.939 103 T HN 0.453 nan 8.240 nan 0.000 0.449 104 P HA 0.118 nan 4.420 nan 0.000 0.269 104 P C -0.229 177.143 177.300 0.120 0.000 1.209 104 P CA -0.388 62.756 63.100 0.074 0.000 0.776 104 P CB 0.324 32.033 31.700 0.013 0.000 0.876 105 S N 3.180 118.999 115.700 0.198 0.000 2.545 105 S HA 0.288 -14.173 4.470 -31.553 0.000 0.275 105 S C -1.572 173.205 174.600 0.295 0.000 1.299 105 S CA -0.988 57.365 58.200 0.256 0.000 1.048 105 S CB 0.502 63.897 63.200 0.325 0.000 0.938 105 S HN 0.370 nan 8.310 nan 0.000 0.496 106 P HA 0.174 nan 4.420 nan 0.000 0.241 106 P C 0.363 177.828 177.300 0.275 0.000 1.191 106 P CA 0.257 63.485 63.100 0.213 0.000 0.771 106 P CB -0.254 31.536 31.700 0.150 0.000 0.929 107 I N -3.096 117.646 120.570 0.287 0.000 3.067 107 I HA 0.757 -14.005 4.170 -31.553 0.000 0.312 107 I C -0.371 175.705 176.117 -0.068 0.000 1.073 107 I CA -1.216 60.198 61.300 0.190 0.000 1.016 107 I CB 2.347 40.600 38.000 0.421 0.000 1.227 107 I HN -0.195 nan 8.210 nan 0.000 0.456 111 G N 2.424 111.356 108.800 0.220 0.000 2.498 111 G HA2 0.731 -14.241 3.960 -31.553 0.000 0.312 111 G HA3 0.731 -14.241 3.960 -31.553 0.000 0.312 111 G C -1.200 173.795 174.900 0.158 0.000 1.230 111 G CA -0.436 44.821 45.100 0.263 0.000 0.968 111 G HN 0.421 nan 8.290 nan 0.000 0.481 112 T N 0.497 115.141 114.554 0.150 0.000 2.772 112 T HA 0.458 -14.123 4.350 -31.553 0.000 0.288 112 T C -0.517 174.299 174.700 0.193 0.000 0.994 112 T CA -0.153 62.036 62.100 0.147 0.000 0.951 112 T CB 0.429 69.360 68.868 0.104 0.000 0.933 112 T HN 0.572 nan 8.240 nan 0.000 0.447 113 c N 2.784 121.545 118.600 0.269 0.000 2.507 113 c HA 0.505 -13.857 4.570 -31.553 0.000 0.319 113 c C 0.202 174.547 174.090 0.425 0.000 1.208 113 c CA -1.019 55.519 56.329 0.349 0.000 1.619 113 c CB 0.359 43.091 42.510 0.370 0.000 2.230 113 c HN 0.969 nan 8.230 nan 0.000 0.492 114 H N 2.462 121.674 119.070 0.237 0.000 2.620 114 H HA 0.279 -14.098 4.556 -31.555 0.000 0.313 114 H C 0.156 175.460 175.328 -0.039 0.000 1.075 114 H CA 0.449 56.550 56.048 0.088 0.000 1.397 114 H CB 0.492 30.270 29.762 0.025 0.000 1.446 114 H HN 0.642 nan 8.280 nan 0.000 0.493 115 N N 6.619 124.803 118.700 -0.862 0.000 2.406 115 N HA 0.094 -14.098 4.740 -31.553 0.000 0.251 115 N C -2.086 172.788 175.510 -1.060 0.000 1.069 115 N CA -2.183 50.030 53.050 -1.395 0.000 0.947 115 N CB 1.294 38.923 38.487 -1.430 0.000 1.111 115 N HN 0.513 nan 8.380 nan 0.000 0.497 116 P HA -0.004 nan 4.420 nan 0.000 0.245 116 P C 0.414 177.384 177.300 -0.549 0.000 1.212 116 P CA 0.730 63.514 63.100 -0.526 0.000 0.774 116 P CB 0.346 31.812 31.700 -0.389 0.000 0.999 117 H N 0.997 119.859 119.070 -0.345 0.000 2.361 117 H HA -0.009 -14.386 4.556 -31.554 0.000 0.308 117 H C 1.350 176.565 175.328 -0.188 0.000 1.053 117 H CA 1.674 57.593 56.048 -0.215 0.000 1.377 117 H CB -0.410 29.231 29.762 -0.201 0.000 1.434 117 H HN 0.286 nan 8.280 nan 0.000 0.548 118 D N -0.618 119.706 120.400 -0.127 0.000 2.349 118 D HA 0.076 -14.215 4.640 -31.553 0.000 0.214 118 D C 1.542 177.764 176.300 -0.129 0.000 1.063 118 D CA 0.707 54.650 54.000 -0.094 0.000 0.847 118 D CB -0.001 40.772 40.800 -0.044 0.000 0.933 118 D HN 0.437 nan 8.370 nan 0.000 0.513 119 G N 0.184 108.841 108.800 -0.239 0.000 2.148 119 G HA2 -0.325 -15.297 3.960 -31.553 0.000 0.254 119 G HA3 -0.325 -15.297 3.960 -31.553 0.000 0.254 119 G C 0.110 174.915 174.900 -0.158 0.000 0.981 119 G CA 0.491 45.483 45.100 -0.180 0.000 0.670 119 G HN 0.504 nan 8.290 nan 0.000 0.528 120 K N 0.191 120.432 120.400 -0.264 0.000 2.166 120 K HA 0.561 -14.051 4.320 -31.553 0.000 0.245 120 K C -0.889 175.540 176.600 -0.284 0.000 0.967 120 K CA -0.971 55.167 56.287 -0.248 0.000 0.863 120 K CB 1.031 33.326 32.500 -0.341 0.000 1.107 120 K HN 0.033 nan 8.250 nan 0.000 0.436 121 D N 0.805 121.069 120.400 -0.227 0.000 2.175 121 D HA 0.282 -14.010 4.640 -31.553 0.000 0.248 121 D C -0.993 175.144 176.300 -0.272 0.000 1.047 121 D CA -0.004 53.948 54.000 -0.079 0.000 0.883 121 D CB 0.757 41.572 40.800 0.026 0.000 1.180 121 D HN 0.255 nan 8.370 nan 0.000 0.438 122 Y N 0.144 120.511 120.300 0.111 0.000 2.499 122 Y HA 0.389 -13.995 4.550 -31.557 0.000 0.347 122 Y C 0.052 176.020 175.900 0.114 0.000 0.987 122 Y CA -0.998 57.182 58.100 0.134 0.000 1.044 122 Y CB 1.461 40.079 38.460 0.263 0.000 1.245 122 Y HN 0.074 nan 8.280 nan 0.000 0.461 123 L N 4.733 126.080 121.223 0.206 0.000 2.313 123 L HA 0.311 -14.281 4.340 -31.553 0.000 0.282 123 L C -0.806 176.093 176.870 0.048 0.000 1.092 123 L CA -0.248 54.652 54.840 0.101 0.000 0.831 123 L CB 0.238 42.328 42.059 0.051 0.000 1.159 123 L HN 0.402 nan 8.230 nan 0.000 0.442 124 I N 2.499 123.035 120.570 -0.057 0.000 2.404 124 I HA 0.228 -14.534 4.170 -31.553 0.000 0.293 124 I C 0.163 176.009 176.117 -0.451 0.000 0.992 124 I CA -0.195 60.930 61.300 -0.291 0.000 1.149 124 I CB 1.708 39.435 38.000 -0.454 0.000 1.315 124 I HN 0.435 nan 8.210 nan 0.000 0.446 125 S N 6.106 121.561 115.700 -0.409 0.000 2.422 125 S HA 0.458 -14.004 4.470 -31.553 0.000 0.308 125 S C -0.813 173.503 174.600 -0.472 0.000 1.097 125 S CA -0.345 57.630 58.200 -0.375 0.000 1.099 125 S CB 0.065 63.179 63.200 -0.143 0.000 0.976 125 S HN 0.317 nan 8.310 nan 0.000 0.471 126 Y N 5.369 125.540 120.300 -0.214 0.000 2.714 126 Y HA 0.245 -14.158 4.550 -31.589 0.000 0.333 126 Y C 1.123 176.912 175.900 -0.185 0.000 1.220 126 Y CA -0.578 57.443 58.100 -0.131 0.000 1.513 126 Y CB 0.013 38.405 38.460 -0.114 0.000 1.435 126 Y HN 0.581 nan 8.280 nan 0.000 0.489 127 H N 1.994 121.102 119.070 0.063 0.000 2.610 127 H HA 0.115 -14.229 4.556 -31.500 0.000 0.336 127 H C -0.392 175.036 175.328 0.166 0.000 1.087 127 H CA -0.226 55.876 56.048 0.089 0.000 1.405 127 H CB 1.062 30.852 29.762 0.045 0.000 1.460 127 H HN 0.539 nan 8.280 nan 0.000 0.538 128 D N 1.458 122.056 120.400 0.331 0.000 2.340 128 D HA 0.175 -14.117 4.640 -31.553 0.000 0.251 128 D C -0.065 176.377 176.300 0.237 0.000 1.080 128 D CA -0.195 54.005 54.000 0.333 0.000 0.971 128 D CB 1.265 42.343 40.800 0.464 0.000 1.137 128 D HN 0.396 nan 8.370 nan 0.000 0.475 129 c N 1.090 119.786 118.600 0.159 0.000 2.355 129 c HA 0.659 -13.703 4.570 -31.553 0.000 0.332 129 c C 0.239 174.391 174.090 0.103 0.000 1.255 129 c CA -0.636 55.765 56.329 0.121 0.000 1.792 129 c CB 0.140 42.721 42.510 0.118 0.000 2.300 129 c HN 0.561 nan 8.230 nan 0.000 0.515 130 c N 0.695 119.351 118.600 0.095 0.000 3.044 130 c HA 0.897 -13.465 4.570 -31.553 0.000 0.315 130 c C 1.086 175.193 174.090 0.028 0.000 1.320 130 c CA 0.413 56.797 56.329 0.092 0.000 1.582 130 c CB 0.886 43.474 42.510 0.130 0.000 2.039 130 c HN 1.284 nan 8.230 nan 0.000 0.466 131 G N 1.220 110.038 108.800 0.029 0.000 2.143 131 G HA2 -0.170 -15.141 3.960 -31.553 0.000 0.249 131 G HA3 -0.170 -15.141 3.960 -31.553 0.000 0.249 131 G C -0.394 174.466 174.900 -0.067 0.000 0.981 131 G CA 0.367 45.463 45.100 -0.007 0.000 0.665 131 G HN 0.748 nan 8.290 nan 0.000 0.528 132 K N 0.268 120.602 120.400 -0.110 0.000 2.477 132 K HA 0.600 -14.012 4.320 -31.553 0.000 0.255 132 K C 0.662 177.247 176.600 -0.025 0.000 0.952 132 K CA -0.256 55.923 56.287 -0.179 0.000 0.826 132 K CB 1.711 33.883 32.500 -0.547 0.000 1.331 132 K HN 0.247 nan 8.250 nan 0.000 0.437 133 T N -1.116 113.445 114.554 0.011 0.000 2.766 133 T HA 0.318 -14.264 4.350 -31.553 0.000 0.295 133 T C 0.539 175.320 174.700 0.136 0.000 1.024 133 T CA -0.882 61.262 62.100 0.073 0.000 1.018 133 T CB 0.696 69.585 68.868 0.036 0.000 1.002 133 T HN 0.601 nan 8.240 nan 0.000 0.532 134 A N 0.110 122.979 122.820 0.081 0.000 2.567 134 A HA 0.183 -14.429 4.320 -31.553 0.000 0.240 134 A C 1.860 179.269 177.584 -0.291 0.000 1.053 134 A CA -0.128 51.902 52.037 -0.012 0.000 0.755 134 A CB -0.805 18.252 19.000 0.096 0.000 0.978 134 A HN 1.174 nan 8.150 nan 0.000 0.507 135 c N 2.470 120.703 118.600 -0.611 0.000 2.429 135 c HA 0.220 -14.142 4.570 -31.553 0.000 0.277 135 c C 2.225 175.846 174.090 -0.781 0.000 1.262 135 c CA 1.653 57.578 56.329 -0.673 0.000 1.733 135 c CB -1.556 40.481 42.510 -0.789 0.000 2.010 135 c HN 2.165 nan 8.230 nan 0.000 0.483 136 G N 0.322 108.142 108.800 -1.634 0.000 2.179 136 G HA2 -0.236 -15.208 3.960 -31.553 0.000 0.260 136 G HA3 -0.236 -15.208 3.960 -31.553 0.000 0.260 136 G C 0.117 174.704 174.900 -0.522 0.000 0.977 136 G CA 0.522 44.945 45.100 -1.128 0.000 0.641 136 G HN 0.710 nan 8.290 nan 0.000 0.533 137 R N -1.467 118.797 120.500 -0.394 0.000 2.589 137 R HA 0.622 -13.970 4.340 -31.553 0.000 0.293 137 R C 0.898 177.257 176.300 0.099 0.000 0.963 137 R CA -0.054 55.997 56.100 -0.083 0.000 0.905 137 R CB 1.256 31.495 30.300 -0.103 0.000 1.144 137 R HN 0.650 nan 8.270 nan 0.000 0.459 138 c N 1.930 120.590 118.600 0.100 0.000 4.056 138 c HA -0.139 -14.501 4.570 -31.553 0.000 0.302 138 c C 0.553 174.733 174.090 0.149 0.000 1.356 138 c CA 0.399 56.785 56.329 0.094 0.000 2.074 138 c CB -2.374 40.160 42.510 0.041 0.000 1.328 138 c HN 0.795 nan 8.230 nan 0.000 0.684 139 Q N -0.112 119.814 119.800 0.210 0.000 2.297 139 Q HA 0.433 -14.159 4.340 -31.553 0.000 0.267 139 Q C 0.057 176.045 176.000 -0.021 0.000 1.006 139 Q CA 0.342 56.197 55.803 0.088 0.000 0.896 139 Q CB 0.484 29.284 28.738 0.103 0.000 1.186 139 Q HN 0.810 nan 8.270 nan 0.000 0.392 140 c N 3.476 122.016 118.600 -0.099 0.000 2.667 140 c HA 0.513 -13.849 4.570 -31.553 0.000 0.323 140 c C 0.067 174.077 174.090 -0.134 0.000 1.214 140 c CA -0.803 55.472 56.329 -0.089 0.000 1.721 140 c CB 1.487 43.947 42.510 -0.085 0.000 2.275 140 c HN 0.974 nan 8.230 nan 0.000 0.491 141 N N 0.520 119.157 118.700 -0.104 0.000 2.651 141 N HA 0.215 -13.977 4.740 -31.553 0.000 0.277 141 N C -0.873 174.580 175.510 -0.094 0.000 1.787 141 N CA 0.052 53.029 53.050 -0.121 0.000 0.818 141 N CB 0.526 38.949 38.487 -0.107 0.000 1.316 141 N HN 0.739 nan 8.380 nan 0.000 0.503 142 T N 0.291 114.786 114.554 -0.099 0.000 2.907 142 T HA 0.349 -14.233 4.350 -31.553 0.000 0.284 142 T C 0.489 175.134 174.700 -0.091 0.000 1.004 142 T CA -0.350 61.710 62.100 -0.066 0.000 1.063 142 T CB 1.642 70.493 68.868 -0.028 0.000 0.992 142 T HN 0.128 nan 8.240 nan 0.000 0.483 143 Q N 0.678 120.448 119.800 -0.051 0.000 2.055 143 Q HA 0.154 -14.438 4.340 -31.553 0.000 0.226 143 Q C -0.207 175.785 176.000 -0.014 0.000 0.805 143 Q CA -0.142 55.633 55.803 -0.048 0.000 1.072 143 Q CB 0.704 29.419 28.738 -0.039 0.000 1.219 143 Q HN 0.604 nan 8.270 nan 0.000 0.451 144 T N 2.312 116.870 114.554 0.006 0.000 2.829 144 T HA 0.067 -14.514 4.350 -31.553 0.000 0.293 144 T C 0.854 175.580 174.700 0.044 0.000 0.970 144 T CA 0.222 62.343 62.100 0.035 0.000 1.168 144 T CB 0.303 69.210 68.868 0.065 0.000 0.911 144 T HN 0.227 nan 8.240 nan 0.000 0.535 145 R N 0.289 120.813 120.500 0.041 0.000 3.989 145 R HA -0.136 -14.728 4.340 -31.553 0.000 0.377 145 R C 0.250 176.574 176.300 0.040 0.000 1.158 145 R CA 0.613 56.741 56.100 0.046 0.000 1.035 145 R CB -1.278 29.061 30.300 0.064 0.000 1.557 145 R HN 0.741 nan 8.270 nan 0.000 0.551 146 E N 1.699 121.913 120.200 0.023 0.000 2.354 146 E HA 0.178 -14.404 4.350 -31.553 0.000 0.269 146 E C -0.112 176.499 176.600 0.019 0.000 1.036 146 E CA 0.156 56.566 56.400 0.016 0.000 0.876 146 E CB 0.617 30.308 29.700 -0.015 0.000 1.009 146 E HN 0.011 nan 8.360 nan 0.000 0.416 147 R N 3.365 123.876 120.500 0.018 0.000 2.867 147 R HA 0.504 -14.088 4.340 -31.553 0.000 0.268 147 R C -2.333 173.875 176.300 -0.153 0.000 1.014 147 R CA -2.210 53.856 56.100 -0.056 0.000 0.946 147 R CB 0.850 31.117 30.300 -0.056 0.000 1.208 147 R HN 0.404 nan 8.270 nan 0.000 0.477 148 P HA 0.083 nan 4.420 nan 0.000 0.275 148 P C 0.790 177.509 177.300 -0.969 0.000 1.270 148 P CA -0.107 62.535 63.100 -0.764 0.000 0.791 148 P CB 0.343 31.590 31.700 -0.754 0.000 1.089 149 G N -0.560 107.623 108.800 -1.029 0.000 2.559 149 G HA2 -0.224 -15.196 3.960 -31.553 0.000 0.216 149 G HA3 -0.224 -15.196 3.960 -31.553 0.000 0.216 149 G C 0.843 175.706 174.900 -0.061 0.000 1.126 149 G CA 0.466 45.318 45.100 -0.414 0.000 0.778 149 G HN 0.624 nan 8.290 nan 0.000 0.543 150 Y N -0.619 119.664 120.300 -0.030 0.000 2.616 150 Y HA 0.334 -14.039 4.550 -31.539 0.000 0.296 150 Y C 0.893 176.833 175.900 0.068 0.000 1.154 150 Y CA -0.522 57.587 58.100 0.015 0.000 1.325 150 Y CB -0.006 38.448 38.460 -0.010 0.000 1.007 150 Y HN 0.168 nan 8.280 nan 0.000 0.542 151 E N 0.476 120.669 120.200 -0.011 0.000 2.916 151 E HA 0.100 -14.482 4.350 -31.553 0.000 0.217 151 E C -0.246 176.441 176.600 0.145 0.000 1.100 151 E CA -0.440 56.033 56.400 0.122 0.000 0.891 151 E CB -0.057 29.694 29.700 0.084 0.000 1.311 151 E HN 0.305 nan 8.360 nan 0.000 0.421 152 F N 0.555 120.513 119.950 0.013 0.000 2.171 152 F HA -0.132 -14.415 4.527 -31.350 0.000 0.300 152 F C 1.195 176.984 175.800 -0.017 0.000 1.090 152 F CA 1.322 59.275 58.000 -0.079 0.000 1.293 152 F CB 0.086 38.937 39.000 -0.248 0.000 1.013 152 F HN 0.326 nan 8.300 nan 0.000 0.486 153 F N -0.355 119.736 119.950 0.234 0.000 2.811 153 F HA 0.076 -14.338 4.527 -31.568 0.000 0.301 153 F C 1.401 177.172 175.800 -0.047 0.000 1.151 153 F CA 0.366 58.376 58.000 0.017 0.000 1.412 153 F CB -0.357 38.626 39.000 -0.027 0.000 1.113 153 F HN -0.108 nan 8.300 nan 0.000 0.579 154 L N -1.069 120.233 121.223 0.131 0.000 2.667 154 L HA 0.162 -14.430 4.340 -31.553 0.000 0.232 154 L C -0.173 176.748 176.870 0.084 0.000 1.138 154 L CA -0.096 54.795 54.840 0.086 0.000 0.921 154 L CB -0.370 41.738 42.059 0.081 0.000 1.180 154 L HN 0.039 nan 8.230 nan 0.000 0.487 155 H N 1.203 120.243 119.070 -0.050 0.000 2.459 155 H HA 0.264 -14.112 4.556 -31.552 0.000 0.332 155 H C 0.386 175.708 175.328 -0.010 0.000 1.094 155 H CA -0.882 55.109 56.048 -0.096 0.000 1.224 155 H CB 1.089 30.728 29.762 -0.205 0.000 1.449 155 H HN 0.048 nan 8.280 nan 0.000 0.484 156 N N 2.309 120.742 118.700 -0.444 0.000 2.235 156 N HA 0.022 -14.170 4.740 -31.553 0.000 0.231 156 N C -0.713 174.479 175.510 -0.530 0.000 1.177 156 N CA -0.279 52.560 53.050 -0.351 0.000 0.874 156 N CB 0.374 38.722 38.487 -0.232 0.000 1.097 156 N HN 0.422 nan 8.380 nan 0.000 0.518 157 D N 0.483 120.336 120.400 -0.912 0.000 2.358 157 D HA 0.085 -14.206 4.640 -31.553 0.000 0.224 157 D C 0.282 176.283 176.300 -0.498 0.000 1.123 157 D CA 0.067 53.722 54.000 -0.575 0.000 0.833 157 D CB 0.916 41.525 40.800 -0.319 0.000 0.946 157 D HN 0.322 nan 8.370 nan 0.000 0.505 158 V N -1.535 117.994 119.914 -0.643 0.000 2.864 158 V HA 0.489 -14.323 4.120 -31.553 0.000 0.314 158 V C -0.015 175.669 176.094 -0.684 0.000 1.073 158 V CA -1.303 60.644 62.300 -0.590 0.000 0.956 158 V CB 2.068 33.491 31.823 -0.667 0.000 1.023 158 V HN -0.227 nan 8.190 nan 0.000 0.435 159 N N 2.334 120.726 118.700 -0.514 0.000 2.399 159 N HA 0.179 -14.013 4.740 -31.553 0.000 0.259 159 N C 0.075 175.369 175.510 -0.360 0.000 1.160 159 N CA -0.189 52.632 53.050 -0.382 0.000 0.946 159 N CB 0.173 38.538 38.487 -0.203 0.000 1.156 159 N HN 0.884 nan 8.380 nan 0.000 0.489 160 W N 2.203 123.454 121.300 -0.080 0.000 2.961 160 W HA 0.064 4.590 4.660 -0.223 0.000 0.240 160 W C 1.388 177.963 176.519 0.093 0.000 1.305 160 W CA -0.382 56.960 57.345 -0.004 0.000 1.465 160 W CB 0.113 29.557 29.460 -0.027 0.000 1.135 160 W HN 0.564 nan 8.180 nan 0.000 0.688 161 c N 0.949 119.702 118.600 0.255 0.000 2.576 161 c HA -0.058 -14.420 4.570 -31.553 0.000 0.267 161 c C 2.648 176.827 174.090 0.149 0.000 1.364 161 c CA 0.321 56.789 56.329 0.232 0.000 1.723 161 c CB -1.786 40.878 42.510 0.257 0.000 1.778 161 c HN 0.507 nan 8.230 nan 0.000 0.572 162 M N 0.266 119.915 119.600 0.082 0.000 2.346 162 M HA -0.035 -14.487 4.480 -31.553 0.000 0.263 162 M C 1.721 178.066 176.300 0.076 0.000 1.064 162 M CA 2.288 57.609 55.300 0.035 0.000 1.083 162 M CB -0.423 32.148 32.600 -0.050 0.000 1.399 162 M HN 0.207 nan 8.290 nan 0.000 0.435 163 A N 0.136 123.032 122.820 0.128 0.000 2.348 163 A HA 0.286 -14.326 4.320 -31.553 0.000 0.224 163 A C 0.058 177.713 177.584 0.119 0.000 1.227 163 A CA -0.416 51.699 52.037 0.129 0.000 0.885 163 A CB -0.379 18.724 19.000 0.172 0.000 0.933 163 A HN 0.497 nan 8.150 nan 0.000 0.506 164 N N 0.010 118.783 118.700 0.121 0.000 2.444 164 N HA 0.184 -14.008 4.740 -31.553 0.000 0.255 164 N C 0.965 176.521 175.510 0.077 0.000 1.255 164 N CA 0.170 53.282 53.050 0.104 0.000 0.933 164 N CB 0.470 39.026 38.487 0.114 0.000 1.143 164 N HN 0.403 nan 8.380 nan 0.000 0.453 165 E N 0.439 120.677 120.200 0.063 0.000 2.097 165 E HA -0.241 -14.823 4.350 -31.553 0.000 0.196 165 E C -0.241 176.385 176.600 0.044 0.000 1.000 165 E CA 1.036 57.464 56.400 0.047 0.000 0.804 165 E CB 0.156 29.879 29.700 0.038 0.000 0.740 165 E HN 0.442 nan 8.360 nan 0.000 0.454 166 N N -0.537 118.192 118.700 0.048 0.000 2.442 166 N HA 0.033 -14.159 4.740 -31.553 0.000 0.274 166 N C -0.329 175.221 175.510 0.067 0.000 1.002 166 N CA 0.064 53.142 53.050 0.047 0.000 0.910 166 N CB 1.695 40.202 38.487 0.032 0.000 1.244 166 N HN 0.025 nan 8.380 nan 0.000 0.492 167 S N 1.012 116.755 115.700 0.071 0.000 2.603 167 S HA 0.022 -14.440 4.470 -31.553 0.000 0.220 167 S C 0.519 175.190 174.600 0.119 0.000 0.967 167 S CA -0.174 58.082 58.200 0.093 0.000 0.920 167 S CB -0.335 62.907 63.200 0.071 0.000 0.773 167 S HN 0.471 nan 8.310 nan 0.000 0.529 168 T N 3.709 118.326 114.554 0.105 0.000 2.902 168 T HA 0.213 -14.369 4.350 -31.553 0.000 0.301 168 T C -0.512 174.303 174.700 0.192 0.000 1.012 168 T CA -0.134 62.045 62.100 0.131 0.000 1.151 168 T CB -0.095 68.825 68.868 0.085 0.000 0.946 168 T HN 0.375 nan 8.240 nan 0.000 0.542 169 F N 3.568 123.579 119.950 0.102 0.000 2.420 169 F HA 0.339 -14.063 4.527 -31.548 0.000 0.352 169 F C 0.901 176.830 175.800 0.215 0.000 1.108 169 F CA -0.632 57.450 58.000 0.136 0.000 1.162 169 F CB 0.752 39.809 39.000 0.096 0.000 1.118 169 F HN 0.720 nan 8.300 nan 0.000 0.510 170 H N 4.975 123.622 119.070 -0.706 0.000 2.368 170 H HA 0.298 -14.080 4.556 -31.556 0.000 0.311 170 H C -0.113 174.774 175.328 -0.735 0.000 1.042 170 H CA 1.198 56.919 56.048 -0.544 0.000 1.377 170 H CB 0.438 30.046 29.762 -0.258 0.000 1.473 170 H HN 0.704 nan 8.280 nan 0.000 0.593 171 c N -1.540 116.541 118.600 -0.866 0.000 3.306 171 c HA 0.710 -13.651 4.570 -31.553 0.000 0.335 171 c C -0.752 173.286 174.090 -0.087 0.000 1.382 171 c CA -0.753 55.301 56.329 -0.458 0.000 1.254 171 c CB 1.379 43.702 42.510 -0.311 0.000 1.555 171 c HN 0.403 nan 8.230 nan 0.000 0.463 172 T N 2.150 116.790 114.554 0.143 0.000 2.829 172 T HA 0.764 -13.818 4.350 -31.553 0.000 0.280 172 T C 0.212 174.999 174.700 0.144 0.000 0.999 172 T CA -0.016 62.223 62.100 0.231 0.000 0.983 172 T CB 1.553 70.564 68.868 0.239 0.000 0.968 172 T HN 1.154 nan 8.240 nan 0.000 0.446 173 T N -0.431 114.233 114.554 0.184 0.000 2.952 173 T HA 0.669 -13.913 4.350 -31.553 0.000 0.286 173 T C -0.255 174.570 174.700 0.208 0.000 1.024 173 T CA -0.868 61.326 62.100 0.157 0.000 1.029 173 T CB 1.313 70.257 68.868 0.127 0.000 1.094 173 T HN 0.297 nan 8.240 nan 0.000 0.515 174 S N 1.227 117.019 115.700 0.153 0.000 2.399 174 S HA 0.441 -14.021 4.470 -31.553 0.000 0.215 174 S C -0.454 174.085 174.600 -0.102 0.000 1.456 174 S CA -0.715 57.496 58.200 0.018 0.000 1.199 174 S CB 0.491 63.861 63.200 0.284 0.000 1.063 174 S HN 0.684 nan 8.310 nan 0.000 0.476 175 V N 3.789 123.621 119.914 -0.137 0.000 2.406 175 V HA 0.298 -14.514 4.120 -31.553 0.000 0.272 175 V C 0.129 176.151 176.094 -0.119 0.000 1.043 175 V CA -0.751 61.506 62.300 -0.072 0.000 0.915 175 V CB 1.040 32.881 31.823 0.031 0.000 0.988 175 V HN 0.689 nan 8.190 nan 0.000 0.466 176 L N 6.416 127.582 121.223 -0.094 0.000 2.369 176 L HA 0.232 -14.359 4.340 -31.553 0.000 0.279 176 L C 0.841 177.707 176.870 -0.007 0.000 1.108 176 L CA 0.819 55.620 54.840 -0.066 0.000 0.852 176 L CB 1.183 43.201 42.059 -0.069 0.000 1.169 176 L HN 0.493 nan 8.230 nan 0.000 0.452 177 V N 4.644 124.569 119.914 0.017 0.000 2.331 177 V HA 0.487 -14.325 4.120 -31.553 0.000 0.242 177 V C 1.192 177.333 176.094 0.079 0.000 1.034 177 V CA 1.113 63.433 62.300 0.034 0.000 1.027 177 V CB -0.710 31.123 31.823 0.017 0.000 0.667 177 V HN 1.020 nan 8.190 nan 0.000 0.457 178 G N -1.603 107.288 108.800 0.151 0.000 2.327 178 G HA2 0.284 -14.688 3.960 -31.553 0.000 0.291 178 G HA3 0.284 -14.688 3.960 -31.553 0.000 0.291 178 G C -1.233 173.802 174.900 0.225 0.000 1.290 178 G CA -0.767 44.456 45.100 0.205 0.000 0.857 178 G HN 0.113 nan 8.290 nan 0.000 0.520 179 L N 0.000 121.262 121.223 0.064 0.000 2.949 179 L HA 0.000 -14.592 4.340 -31.553 0.000 0.249 179 L CA 0.000 54.710 54.840 -0.217 0.000 0.813 179 L CB 0.000 41.914 42.059 -0.241 0.000 0.961 179 L HN 0.000 nan 8.230 nan 0.000 0.502