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 1ofu_1_Y DATA FIRST_RESID 43 DATA SEQUENCE PAAFSELSLS GLPGHCLTLL APILRELSEE QDARWLTLIA PPASLTHEWL DATA SEQUENCE RRAGLNRERI LLLQAKDNAA ALALSCEALR LGRSHTVVSW LEPLSRAARK DATA SEQUENCE QLSRAAQLGQ AQSLNIRLG 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 43 P HA 0.000 nan 4.420 nan 0.000 0.216 43 P C 0.000 177.311 177.300 0.019 0.000 1.155 43 P CA 0.000 63.108 63.100 0.013 0.000 0.800 43 P CB 0.000 31.709 31.700 0.014 0.000 0.726 44 A N 1.556 124.391 122.820 0.025 0.000 2.546 44 A HA 0.586 4.906 4.320 0.000 0.000 0.243 44 A C 0.517 178.127 177.584 0.042 0.000 1.063 44 A CA 1.176 53.233 52.037 0.033 0.000 0.757 44 A CB -0.211 18.811 19.000 0.037 0.000 0.991 44 A HN 1.173 nan 8.150 nan 0.000 0.503 45 A N 1.842 124.693 122.820 0.051 0.000 2.573 45 A HA 0.670 4.990 4.320 0.000 0.000 0.310 45 A C -1.190 176.464 177.584 0.118 0.000 1.142 45 A CA -0.476 51.611 52.037 0.083 0.000 0.620 45 A CB 0.166 19.209 19.000 0.070 0.000 1.382 45 A HN 1.610 nan 8.150 nan 0.000 0.545 46 F N 1.165 121.110 119.950 -0.009 0.000 2.421 46 F HA 0.738 5.265 4.527 0.000 0.000 0.337 46 F C 0.024 175.811 175.800 -0.022 0.000 1.105 46 F CA 0.075 58.065 58.000 -0.017 0.000 1.049 46 F CB 1.749 40.738 39.000 -0.018 0.000 1.139 46 F HN 0.492 nan 8.300 nan 0.000 0.479 47 S N 3.839 119.043 115.700 -0.826 0.000 2.632 47 S HA 0.500 4.970 4.470 0.000 0.000 0.289 47 S C -1.530 172.504 174.600 -0.944 0.000 1.115 47 S CA -0.870 56.964 58.200 -0.611 0.000 0.889 47 S CB 2.025 65.035 63.200 -0.316 0.000 1.116 47 S HN 0.725 nan 8.310 nan 0.000 0.486 48 E N 1.054 120.958 120.200 -0.494 0.000 2.290 48 E HA 0.569 4.919 4.350 0.000 0.000 0.274 48 E C -1.955 174.529 176.600 -0.192 0.000 0.889 48 E CA -0.563 55.620 56.400 -0.361 0.000 0.760 48 E CB 1.475 31.085 29.700 -0.151 0.000 1.206 48 E HN 0.555 nan 8.360 nan 0.000 0.419 49 L N 3.164 124.278 121.223 -0.182 0.000 2.333 49 L HA 0.607 4.947 4.340 0.000 0.000 0.280 49 L C -1.419 175.403 176.870 -0.080 0.000 1.004 49 L CA -0.268 54.502 54.840 -0.117 0.000 0.820 49 L CB 1.721 43.706 42.059 -0.122 0.000 1.247 49 L HN 0.483 nan 8.230 nan 0.000 0.416 50 S N 5.833 121.510 115.700 -0.038 0.000 2.482 50 S HA 0.700 5.170 4.470 0.000 0.000 0.303 50 S C -0.771 173.833 174.600 0.007 0.000 1.091 50 S CA -0.565 57.629 58.200 -0.011 0.000 1.057 50 S CB 1.710 64.910 63.200 0.000 0.000 1.031 50 S HN 0.511 nan 8.310 nan 0.000 0.485 51 L N 2.236 123.473 121.223 0.023 0.000 2.381 51 L HA 0.658 4.998 4.340 0.000 0.000 0.274 51 L C -0.266 176.627 176.870 0.038 0.000 0.988 51 L CA -0.380 54.482 54.840 0.037 0.000 0.824 51 L CB 2.059 44.150 42.059 0.053 0.000 1.263 51 L HN 0.635 nan 8.230 nan 0.000 0.410 52 S N 1.786 117.508 115.700 0.037 0.000 2.526 52 S HA 0.981 5.451 4.470 0.000 0.000 0.293 52 S C -0.258 174.363 174.600 0.035 0.000 1.092 52 S CA 0.273 58.491 58.200 0.030 0.000 0.980 52 S CB 1.828 65.041 63.200 0.023 0.000 1.048 52 S HN 0.994 nan 8.310 nan 0.000 0.483 53 G N 2.665 111.476 108.800 0.018 0.000 2.320 53 G HA2 0.126 4.086 3.960 0.000 0.000 0.274 53 G HA3 0.126 4.086 3.960 0.000 0.000 0.274 53 G C -1.808 173.061 174.900 -0.051 0.000 1.324 53 G CA -0.982 44.119 45.100 0.002 0.000 0.957 53 G HN 0.718 nan 8.290 nan 0.000 0.481 54 L N 2.400 123.524 121.223 -0.165 0.000 2.456 54 L HA 0.200 4.540 4.340 0.000 0.000 0.272 54 L C -0.268 176.541 176.870 -0.102 0.000 1.189 54 L CA -0.581 54.125 54.840 -0.224 0.000 0.846 54 L CB 0.482 42.226 42.059 -0.524 0.000 1.111 54 L HN 0.486 nan 8.230 nan 0.000 0.475 55 P HA -0.177 nan 4.420 nan 0.000 0.216 55 P C 1.381 178.691 177.300 0.017 0.000 1.154 55 P CA 1.795 64.881 63.100 -0.024 0.000 0.865 55 P CB 0.248 31.926 31.700 -0.037 0.000 0.789 56 G N -0.830 107.994 108.800 0.039 0.000 2.422 56 G HA2 -0.232 3.728 3.960 0.000 0.000 0.218 56 G HA3 -0.232 3.728 3.960 0.000 0.000 0.218 56 G C 1.463 176.505 174.900 0.238 0.000 1.146 56 G CA 0.688 45.866 45.100 0.130 0.000 0.769 56 G HN 0.403 nan 8.290 nan 0.000 0.547 57 H N -0.667 118.430 119.070 0.045 0.000 2.357 57 H HA -0.080 4.476 4.556 0.000 0.000 0.301 57 H C 2.733 178.096 175.328 0.058 0.000 1.082 57 H CA 0.924 57.002 56.048 0.051 0.000 1.342 57 H CB -0.014 29.770 29.762 0.037 0.000 1.389 57 H HN 0.369 nan 8.280 nan 0.000 0.511 58 C N 0.814 120.219 119.300 0.176 0.000 2.425 58 C HA -0.129 4.331 4.460 0.000 0.000 0.277 58 C C 2.818 177.876 174.990 0.113 0.000 1.280 58 C CA 0.568 59.654 59.018 0.113 0.000 1.744 58 C CB -0.992 26.789 27.740 0.067 0.000 1.989 58 C HN 0.452 nan 8.230 nan 0.000 0.491 59 L N -0.094 121.191 121.223 0.104 0.000 2.027 59 L HA -0.149 4.191 4.340 0.000 0.000 0.206 59 L C 2.861 179.929 176.870 0.330 0.000 1.074 59 L CA 1.909 56.823 54.840 0.123 0.000 0.745 59 L CB -0.966 41.119 42.059 0.043 0.000 0.898 59 L HN 0.314 nan 8.230 nan 0.000 0.433 60 T N -0.348 114.368 114.554 0.270 0.000 2.915 60 T HA -0.093 4.257 4.350 0.000 0.000 0.269 60 T C 1.815 176.614 174.700 0.165 0.000 1.071 60 T CA 0.981 63.216 62.100 0.226 0.000 1.132 60 T CB -0.056 68.892 68.868 0.134 0.000 0.878 60 T HN 0.157 nan 8.240 nan 0.000 0.479 61 L N 0.227 121.535 121.223 0.143 0.000 2.240 61 L HA 0.096 4.436 4.340 0.000 0.000 0.211 61 L C 2.258 179.205 176.870 0.128 0.000 1.106 61 L CA 0.398 55.301 54.840 0.105 0.000 0.793 61 L CB -0.282 41.828 42.059 0.084 0.000 0.927 61 L HN 0.285 nan 8.230 nan 0.000 0.446 62 L N 0.034 121.369 121.223 0.186 0.000 2.072 62 L HA -0.041 4.300 4.340 0.000 0.000 0.205 62 L C 2.672 179.702 176.870 0.267 0.000 1.079 62 L CA 1.778 56.748 54.840 0.217 0.000 0.752 62 L CB -0.645 41.564 42.059 0.250 0.000 0.906 62 L HN 0.126 nan 8.230 nan 0.000 0.436 63 A N 1.053 124.082 122.820 0.348 0.000 1.896 63 A HA -0.227 4.093 4.320 0.000 0.000 0.220 63 A C 0.047 177.693 177.584 0.103 0.000 1.206 63 A CA 2.522 54.696 52.037 0.229 0.000 0.647 63 A CB -2.440 16.610 19.000 0.084 0.000 0.828 63 A HN 0.527 nan 8.150 nan 0.000 0.455 64 P HA -0.122 nan 4.420 nan 0.000 0.218 64 P C 1.501 178.830 177.300 0.049 0.000 1.149 64 P CA 1.166 64.292 63.100 0.042 0.000 0.817 64 P CB -0.180 31.538 31.700 0.031 0.000 0.785 65 I N -0.869 119.743 120.570 0.071 0.000 2.333 65 I HA -0.154 4.016 4.170 0.000 0.000 0.246 65 I C 2.655 178.819 176.117 0.079 0.000 1.106 65 I CA 0.962 62.297 61.300 0.059 0.000 1.411 65 I CB -0.535 37.496 38.000 0.052 0.000 1.082 65 I HN -0.161 nan 8.210 nan 0.000 0.420 66 L N 0.304 121.603 121.223 0.127 0.000 2.056 66 L HA -0.189 4.151 4.340 0.000 0.000 0.207 66 L C 2.769 179.705 176.870 0.111 0.000 1.078 66 L CA 1.234 56.168 54.840 0.155 0.000 0.749 66 L CB -0.545 41.666 42.059 0.255 0.000 0.901 66 L HN 0.227 nan 8.230 nan 0.000 0.433 67 R N 0.540 121.084 120.500 0.073 0.000 2.070 67 R HA -0.251 4.089 4.340 0.000 0.000 0.233 67 R C 2.249 178.571 176.300 0.036 0.000 1.137 67 R CA 1.966 58.086 56.100 0.034 0.000 0.945 67 R CB -0.096 30.204 30.300 -0.000 0.000 0.845 67 R HN 0.219 nan 8.270 nan 0.000 0.430 68 E N 0.485 120.704 120.200 0.031 0.000 2.058 68 E HA -0.184 4.166 4.350 0.000 0.000 0.194 68 E C 1.965 178.578 176.600 0.021 0.000 0.997 68 E CA 1.620 58.030 56.400 0.016 0.000 0.801 68 E CB -0.310 29.395 29.700 0.008 0.000 0.746 68 E HN 0.412 nan 8.360 nan 0.000 0.450 69 L N 0.689 121.942 121.223 0.050 0.000 2.042 69 L HA -0.203 4.137 4.340 0.000 0.000 0.210 69 L C 2.604 179.567 176.870 0.155 0.000 1.076 69 L CA 1.539 56.431 54.840 0.087 0.000 0.749 69 L CB -0.696 41.445 42.059 0.137 0.000 0.893 69 L HN 0.293 nan 8.230 nan 0.000 0.432 70 S N -1.088 114.697 115.700 0.142 0.000 2.469 70 S HA -0.132 4.338 4.470 0.000 0.000 0.238 70 S C 1.435 176.107 174.600 0.120 0.000 0.998 70 S CA 0.865 59.161 58.200 0.159 0.000 0.957 70 S CB -0.183 63.085 63.200 0.114 0.000 0.764 70 S HN 0.429 nan 8.310 nan 0.000 0.514 71 E N 0.897 121.132 120.200 0.058 0.000 2.476 71 E HA 0.221 4.571 4.350 0.000 0.000 0.196 71 E C -0.223 176.359 176.600 -0.029 0.000 1.029 71 E CA -0.134 56.278 56.400 0.019 0.000 0.896 71 E CB 0.012 29.714 29.700 0.003 0.000 1.012 71 E HN 0.545 nan 8.360 nan 0.000 0.475 72 E N 1.519 121.664 120.200 -0.092 0.000 2.568 72 E HA -0.122 4.228 4.350 0.000 0.000 0.262 72 E C 1.015 177.524 176.600 -0.152 0.000 0.961 72 E CA 0.452 56.709 56.400 -0.239 0.000 0.945 72 E CB 0.613 29.866 29.700 -0.745 0.000 0.924 72 E HN 0.270 nan 8.360 nan 0.000 0.467 73 Q N 1.159 120.884 119.800 -0.125 0.000 2.170 73 Q HA -0.153 4.187 4.340 0.000 0.000 0.203 73 Q C 0.387 176.349 176.000 -0.064 0.000 0.976 73 Q CA 0.764 56.522 55.803 -0.075 0.000 0.858 73 Q CB 0.045 28.747 28.738 -0.061 0.000 0.907 73 Q HN 0.413 nan 8.270 nan 0.000 0.433 74 D N 0.666 121.014 120.400 -0.087 0.000 2.389 74 D HA 0.019 4.659 4.640 0.000 0.000 0.263 74 D C -0.494 175.826 176.300 0.033 0.000 1.255 74 D CA 0.048 54.034 54.000 -0.024 0.000 0.914 74 D CB 0.631 41.428 40.800 -0.006 0.000 1.116 74 D HN 0.168 nan 8.370 nan 0.000 0.502 75 A N 5.811 128.631 122.820 0.000 0.000 3.029 75 A HA 0.078 4.398 4.320 0.000 0.000 0.256 75 A C 0.671 178.220 177.584 -0.059 0.000 1.913 75 A CA 0.264 52.281 52.037 -0.033 0.000 1.493 75 A CB -0.421 18.543 19.000 -0.059 0.000 0.918 75 A HN 0.565 nan 8.150 nan 0.000 0.616 76 R N -1.519 118.996 120.500 0.025 0.000 2.885 76 R HA 0.469 4.809 4.340 0.000 0.000 0.260 76 R C -1.141 175.122 176.300 -0.062 0.000 1.107 76 R CA -0.840 55.226 56.100 -0.056 0.000 0.978 76 R CB 0.939 31.269 30.300 0.049 0.000 1.227 76 R HN 0.591 nan 8.270 nan 0.000 0.473 77 W N 0.952 122.185 121.300 -0.112 0.000 2.161 77 W HA 0.311 4.971 4.660 0.000 0.000 0.344 77 W C -0.128 176.089 176.519 -0.504 0.000 1.262 77 W CA -0.445 56.789 57.345 -0.184 0.000 1.270 77 W CB 0.374 29.767 29.460 -0.111 0.000 1.126 77 W HN 0.131 nan 8.180 nan 0.000 0.598 78 L N 2.223 123.452 121.223 0.011 0.000 2.276 78 L HA 0.501 4.841 4.340 0.000 0.000 0.286 78 L C -0.449 176.427 176.870 0.011 0.000 1.024 78 L CA -0.079 54.698 54.840 -0.106 0.000 0.826 78 L CB 0.677 42.807 42.059 0.119 0.000 1.211 78 L HN 0.234 nan 8.230 nan 0.000 0.422 79 T N 6.660 121.201 114.554 -0.021 0.000 2.771 79 T HA 0.560 4.910 4.350 0.000 0.000 0.281 79 T C -0.225 174.507 174.700 0.053 0.000 0.982 79 T CA -0.286 61.804 62.100 -0.018 0.000 0.978 79 T CB 0.760 69.603 68.868 -0.043 0.000 0.930 79 T HN 0.454 nan 8.240 nan 0.000 0.447 80 L N 4.467 125.746 121.223 0.095 0.000 2.296 80 L HA 0.593 4.933 4.340 0.000 0.000 0.286 80 L C -0.298 176.698 176.870 0.210 0.000 1.023 80 L CA -0.810 54.186 54.840 0.261 0.000 0.812 80 L CB 1.209 43.439 42.059 0.284 0.000 1.223 80 L HN 0.491 nan 8.230 nan 0.000 0.421 81 I N 3.626 124.379 120.570 0.304 0.000 2.355 81 I HA 0.325 4.495 4.170 0.000 0.000 0.288 81 I C 0.733 176.986 176.117 0.226 0.000 0.999 81 I CA -0.561 60.856 61.300 0.195 0.000 1.163 81 I CB 1.694 39.776 38.000 0.137 0.000 1.316 81 I HN 0.891 nan 8.210 nan 0.000 0.454 82 A N 6.494 129.366 122.820 0.086 0.000 2.560 82 A HA -0.126 4.194 4.320 0.000 0.000 0.299 82 A C -2.258 175.284 177.584 -0.069 0.000 1.484 82 A CA -0.247 51.801 52.037 0.020 0.000 0.749 82 A CB -1.863 17.169 19.000 0.052 0.000 1.072 82 A HN 0.515 nan 8.150 nan 0.000 0.426 83 P HA 0.344 nan 4.420 nan 0.000 0.274 83 P C -2.294 174.605 177.300 -0.668 0.000 1.246 83 P CA -1.201 61.268 63.100 -1.050 0.000 0.795 83 P CB -0.107 30.757 31.700 -1.393 0.000 1.006 84 P HA -0.009 nan 4.420 nan 0.000 0.270 84 P C 0.756 177.855 177.300 -0.334 0.000 1.223 84 P CA 0.012 62.866 63.100 -0.409 0.000 0.785 84 P CB 0.294 31.774 31.700 -0.366 0.000 0.923 85 A N 1.943 124.635 122.820 -0.214 0.000 2.032 85 A HA -0.212 4.108 4.320 0.000 0.000 0.221 85 A C 2.559 180.037 177.584 -0.177 0.000 1.165 85 A CA 2.262 54.203 52.037 -0.160 0.000 0.645 85 A CB -1.551 17.383 19.000 -0.110 0.000 0.807 85 A HN 0.619 nan 8.150 nan 0.000 0.453 86 S N -1.025 114.534 115.700 -0.234 0.000 2.383 86 S HA -0.091 4.379 4.470 0.000 0.000 0.229 86 S C 0.743 175.125 174.600 -0.363 0.000 1.030 86 S CA 0.833 58.866 58.200 -0.279 0.000 1.002 86 S CB -0.421 62.579 63.200 -0.334 0.000 0.829 86 S HN 0.335 nan 8.310 nan 0.000 0.467 87 L N 3.719 124.690 121.223 -0.420 0.000 2.391 87 L HA 0.218 4.558 4.340 0.000 0.000 0.249 87 L C 0.892 177.724 176.870 -0.063 0.000 1.308 87 L CA 0.052 54.685 54.840 -0.345 0.000 1.209 87 L CB -0.617 41.175 42.059 -0.445 0.000 1.401 87 L HN 0.295 nan 8.230 nan 0.000 0.416 88 T N -4.247 110.343 114.554 0.060 0.000 2.788 88 T HA 0.101 4.451 4.350 0.000 0.000 0.287 88 T C 1.436 176.291 174.700 0.258 0.000 1.007 88 T CA -0.302 61.883 62.100 0.141 0.000 1.005 88 T CB 0.587 69.525 68.868 0.116 0.000 1.012 88 T HN 0.459 nan 8.240 nan 0.000 0.530 89 H N -0.312 118.793 119.070 0.059 0.000 2.421 89 H HA -0.077 4.479 4.556 0.000 0.000 0.298 89 H C 2.089 177.463 175.328 0.078 0.000 1.087 89 H CA 1.157 57.242 56.048 0.062 0.000 1.330 89 H CB 0.309 30.088 29.762 0.028 0.000 1.388 89 H HN 0.615 nan 8.280 nan 0.000 0.526 90 E N 0.433 120.759 120.200 0.209 0.000 2.072 90 E HA -0.155 4.195 4.350 0.000 0.000 0.191 90 E C 1.998 178.678 176.600 0.133 0.000 0.985 90 E CA 0.539 57.020 56.400 0.135 0.000 0.801 90 E CB -0.350 29.415 29.700 0.108 0.000 0.750 90 E HN 0.538 nan 8.360 nan 0.000 0.452 91 W N 1.331 122.645 121.300 0.024 0.000 2.358 91 W HA -0.145 4.515 4.660 0.000 0.000 0.303 91 W C 1.992 178.517 176.519 0.011 0.000 1.208 91 W CA 1.367 58.720 57.345 0.012 0.000 1.274 91 W CB -0.392 29.070 29.460 0.002 0.000 1.138 91 W HN -0.003 nan 8.180 nan 0.000 0.515 92 L N 0.360 121.730 121.223 0.246 0.000 2.083 92 L HA -0.212 4.128 4.340 0.000 0.000 0.209 92 L C 2.735 179.543 176.870 -0.104 0.000 1.083 92 L CA 1.532 56.418 54.840 0.076 0.000 0.752 92 L CB -0.816 41.325 42.059 0.137 0.000 0.899 92 L HN -0.037 nan 8.230 nan 0.000 0.433 93 R N -0.394 120.072 120.500 -0.058 0.000 2.073 93 R HA -0.066 4.274 4.340 0.000 0.000 0.229 93 R C 2.400 178.622 176.300 -0.131 0.000 1.120 93 R CA 0.899 56.960 56.100 -0.066 0.000 0.967 93 R CB -0.203 30.089 30.300 -0.014 0.000 0.862 93 R HN 0.338 nan 8.270 nan 0.000 0.436 94 R N 0.333 120.723 120.500 -0.183 0.000 2.148 94 R HA -0.007 4.333 4.340 0.000 0.000 0.227 94 R C 1.968 178.061 176.300 -0.344 0.000 1.103 94 R CA 1.070 57.034 56.100 -0.226 0.000 0.983 94 R CB -0.159 30.012 30.300 -0.215 0.000 0.874 94 R HN 0.154 nan 8.270 nan 0.000 0.451 95 A N 0.384 122.874 122.820 -0.551 0.000 2.239 95 A HA 0.104 4.424 4.320 0.000 0.000 0.209 95 A C 1.410 178.820 177.584 -0.289 0.000 1.171 95 A CA 0.913 52.594 52.037 -0.594 0.000 0.768 95 A CB -0.330 18.075 19.000 -0.992 0.000 0.790 95 A HN 0.464 nan 8.150 nan 0.000 0.478 96 G N -1.049 107.630 108.800 -0.203 0.000 2.160 96 G HA2 -0.227 3.733 3.960 0.000 0.000 0.251 96 G HA3 -0.227 3.733 3.960 0.000 0.000 0.251 96 G C 0.122 174.979 174.900 -0.072 0.000 1.008 96 G CA 0.315 45.348 45.100 -0.112 0.000 0.724 96 G HN 0.468 nan 8.290 nan 0.000 0.514 97 L N -0.248 120.933 121.223 -0.070 0.000 2.473 97 L HA 0.150 4.490 4.340 0.000 0.000 0.268 97 L C 1.210 178.084 176.870 0.007 0.000 1.215 97 L CA -0.160 54.672 54.840 -0.012 0.000 0.823 97 L CB 0.386 42.455 42.059 0.016 0.000 1.099 97 L HN 0.360 nan 8.230 nan 0.000 0.483 98 N N 1.013 119.734 118.700 0.035 0.000 2.400 98 N HA 0.020 4.760 4.740 0.000 0.000 0.267 98 N C 0.862 176.410 175.510 0.064 0.000 1.208 98 N CA -0.399 52.678 53.050 0.045 0.000 0.951 98 N CB 0.428 38.949 38.487 0.056 0.000 1.227 98 N HN 0.461 nan 8.380 nan 0.000 0.488 99 R N 1.693 122.222 120.500 0.047 0.000 2.293 99 R HA -0.078 4.262 4.340 0.000 0.000 0.219 99 R C 0.519 176.879 176.300 0.099 0.000 1.091 99 R CA 0.805 56.939 56.100 0.055 0.000 1.004 99 R CB 0.109 30.431 30.300 0.037 0.000 0.865 99 R HN 0.637 nan 8.270 nan 0.000 0.469 100 E N 0.214 120.480 120.200 0.110 0.000 2.481 100 E HA 0.041 4.391 4.350 0.000 0.000 0.198 100 E C 0.764 177.500 176.600 0.227 0.000 1.027 100 E CA 0.283 56.771 56.400 0.147 0.000 0.900 100 E CB 0.604 30.348 29.700 0.073 0.000 0.993 100 E HN 0.330 nan 8.360 nan 0.000 0.482 101 R N 0.204 120.851 120.500 0.245 0.000 2.596 101 R HA 0.404 4.744 4.340 0.000 0.000 0.369 101 R C 0.275 176.875 176.300 0.500 0.000 1.042 101 R CA -0.020 56.266 56.100 0.311 0.000 1.120 101 R CB 1.121 31.512 30.300 0.150 0.000 1.353 101 R HN -0.025 nan 8.270 nan 0.000 0.564 102 I N 1.268 122.068 120.570 0.383 0.000 2.530 102 I HA 0.345 4.515 4.170 0.000 0.000 0.297 102 I C -1.051 175.020 176.117 -0.076 0.000 1.011 102 I CA -1.263 60.141 61.300 0.173 0.000 1.107 102 I CB 2.118 40.166 38.000 0.080 0.000 1.285 102 I HN -0.177 nan 8.210 nan 0.000 0.436 103 L N 6.395 127.485 121.223 -0.221 0.000 2.381 103 L HA 0.530 4.870 4.340 0.000 0.000 0.274 103 L C -1.015 175.731 176.870 -0.207 0.000 0.988 103 L CA -0.296 54.293 54.840 -0.418 0.000 0.824 103 L CB 1.837 43.435 42.059 -0.768 0.000 1.263 103 L HN 0.432 nan 8.230 nan 0.000 0.410 104 L N 5.511 126.633 121.223 -0.169 0.000 2.319 104 L HA 0.619 4.959 4.340 0.000 0.000 0.281 104 L C -1.411 175.428 176.870 -0.052 0.000 1.005 104 L CA -0.427 54.362 54.840 -0.086 0.000 0.828 104 L CB 0.990 42.981 42.059 -0.113 0.000 1.227 104 L HN 0.537 nan 8.230 nan 0.000 0.415 105 L N 4.100 125.304 121.223 -0.032 0.000 2.334 105 L HA 0.556 4.896 4.340 0.000 0.000 0.273 105 L C -0.367 176.502 176.870 -0.001 0.000 1.013 105 L CA -0.877 53.949 54.840 -0.023 0.000 0.816 105 L CB 1.848 43.889 42.059 -0.031 0.000 1.278 105 L HN 0.543 nan 8.230 nan 0.000 0.431 106 Q N 1.265 121.063 119.800 -0.003 0.000 2.204 106 Q HA 0.845 5.185 4.340 0.000 0.000 0.254 106 Q C -0.890 175.111 176.000 0.001 0.000 0.981 106 Q CA -0.588 55.212 55.803 -0.004 0.000 0.897 106 Q CB 2.424 31.155 28.738 -0.011 0.000 1.273 106 Q HN 0.762 nan 8.270 nan 0.000 0.464 107 A N 0.510 123.332 122.820 0.002 0.000 2.574 107 A HA 0.368 4.688 4.320 0.000 0.000 0.297 107 A C 0.340 177.925 177.584 0.002 0.000 1.062 107 A CA -0.470 51.572 52.037 0.007 0.000 0.686 107 A CB 1.006 20.018 19.000 0.021 0.000 1.285 107 A HN 0.703 nan 8.150 nan 0.000 0.403 108 K N 0.332 120.733 120.400 0.001 0.000 2.097 108 K HA 0.033 4.353 4.320 0.000 0.000 0.205 108 K C 0.031 176.632 176.600 0.001 0.000 1.050 108 K CA 1.768 58.054 56.287 -0.002 0.000 0.938 108 K CB -0.219 32.279 32.500 -0.002 0.000 0.718 108 K HN 0.761 nan 8.250 nan 0.000 0.442 109 D N -1.973 118.432 120.400 0.007 0.000 2.665 109 D HA 0.129 4.769 4.640 0.000 0.000 0.287 109 D C -0.111 176.201 176.300 0.021 0.000 1.266 109 D CA -0.875 53.132 54.000 0.011 0.000 0.830 109 D CB 0.136 40.940 40.800 0.008 0.000 1.356 109 D HN -0.188 nan 8.370 nan 0.000 0.437 110 N N -0.106 118.609 118.700 0.025 0.000 2.060 110 N HA -0.247 4.493 4.740 0.000 0.000 0.195 110 N C 1.747 177.274 175.510 0.029 0.000 1.028 110 N CA 2.200 55.270 53.050 0.034 0.000 0.861 110 N CB -0.414 38.093 38.487 0.032 0.000 1.029 110 N HN 0.617 nan 8.380 nan 0.000 0.428 111 A N 1.030 123.861 122.820 0.019 0.000 1.908 111 A HA -0.010 4.310 4.320 0.000 0.000 0.218 111 A C 2.408 180.001 177.584 0.016 0.000 1.181 111 A CA 1.989 54.034 52.037 0.014 0.000 0.627 111 A CB -0.669 18.336 19.000 0.009 0.000 0.818 111 A HN 0.376 nan 8.150 nan 0.000 0.445 112 A N -0.360 122.470 122.820 0.017 0.000 1.929 112 A HA 0.265 4.585 4.320 0.000 0.000 0.216 112 A C 2.475 180.074 177.584 0.024 0.000 1.176 112 A CA 1.763 53.810 52.037 0.016 0.000 0.628 112 A CB -0.913 18.094 19.000 0.012 0.000 0.816 112 A HN 1.016 nan 8.150 nan 0.000 0.444 113 A N -0.338 122.502 122.820 0.034 0.000 1.933 113 A HA -0.034 4.286 4.320 0.000 0.000 0.218 113 A C 2.176 179.791 177.584 0.052 0.000 1.175 113 A CA 1.404 53.471 52.037 0.051 0.000 0.628 113 A CB -0.541 18.502 19.000 0.072 0.000 0.814 113 A HN 0.523 nan 8.150 nan 0.000 0.444 114 L N -0.816 120.432 121.223 0.042 0.000 2.027 114 L HA -0.160 4.180 4.340 0.000 0.000 0.206 114 L C 2.862 179.749 176.870 0.027 0.000 1.074 114 L CA 1.515 56.376 54.840 0.036 0.000 0.745 114 L CB -0.463 41.609 42.059 0.023 0.000 0.898 114 L HN 0.426 nan 8.230 nan 0.000 0.433 115 A N -0.314 122.519 122.820 0.021 0.000 1.898 115 A HA -0.208 4.112 4.320 0.000 0.000 0.216 115 A C 2.220 179.816 177.584 0.020 0.000 1.181 115 A CA 1.378 53.425 52.037 0.016 0.000 0.620 115 A CB -0.713 18.294 19.000 0.012 0.000 0.819 115 A HN 0.503 nan 8.150 nan 0.000 0.442 116 L N -0.343 120.894 121.223 0.023 0.000 2.083 116 L HA -0.154 4.186 4.340 0.000 0.000 0.209 116 L C 2.656 179.543 176.870 0.029 0.000 1.083 116 L CA 1.668 56.522 54.840 0.023 0.000 0.752 116 L CB -0.225 41.848 42.059 0.023 0.000 0.899 116 L HN 0.384 nan 8.230 nan 0.000 0.433 117 S N -0.931 114.793 115.700 0.040 0.000 2.356 117 S HA -0.213 4.257 4.470 0.000 0.000 0.223 117 S C 1.981 176.605 174.600 0.041 0.000 1.032 117 S CA 1.521 59.749 58.200 0.047 0.000 1.005 117 S CB -0.523 62.715 63.200 0.062 0.000 0.867 117 S HN 0.577 nan 8.310 nan 0.000 0.449 118 C N 1.297 120.618 119.300 0.035 0.000 2.425 118 C HA -0.020 4.440 4.460 0.000 0.000 0.277 118 C C 2.751 177.758 174.990 0.027 0.000 1.280 118 C CA 0.699 59.735 59.018 0.031 0.000 1.744 118 C CB -1.176 26.576 27.740 0.020 0.000 1.989 118 C HN 0.564 nan 8.230 nan 0.000 0.491 119 E N 1.379 121.593 120.200 0.023 0.000 2.051 119 E HA -0.101 4.249 4.350 0.000 0.000 0.192 119 E C 2.227 178.842 176.600 0.024 0.000 0.991 119 E CA 1.753 58.166 56.400 0.021 0.000 0.799 119 E CB -0.433 29.277 29.700 0.016 0.000 0.748 119 E HN 0.514 nan 8.360 nan 0.000 0.449 120 A N 0.117 122.951 122.820 0.023 0.000 1.972 120 A HA -0.135 4.185 4.320 0.000 0.000 0.219 120 A C 2.281 179.886 177.584 0.034 0.000 1.169 120 A CA 1.333 53.384 52.037 0.024 0.000 0.635 120 A CB -0.644 18.364 19.000 0.014 0.000 0.810 120 A HN 0.309 nan 8.150 nan 0.000 0.446 121 L N -1.394 119.851 121.223 0.036 0.000 2.023 121 L HA -0.128 4.212 4.340 0.000 0.000 0.205 121 L C 2.738 179.632 176.870 0.040 0.000 1.073 121 L CA 1.642 56.507 54.840 0.042 0.000 0.745 121 L CB -0.462 41.625 42.059 0.047 0.000 0.900 121 L HN 0.412 nan 8.230 nan 0.000 0.435 122 R N 0.138 120.659 120.500 0.035 0.000 2.094 122 R HA -0.227 4.113 4.340 0.000 0.000 0.239 122 R C 2.179 178.499 176.300 0.033 0.000 1.137 122 R CA 1.697 57.816 56.100 0.031 0.000 0.943 122 R CB -0.288 30.027 30.300 0.025 0.000 0.850 122 R HN 0.149 nan 8.270 nan 0.000 0.433 123 L N 0.210 121.454 121.223 0.035 0.000 2.349 123 L HA 0.012 4.352 4.340 0.000 0.000 0.220 123 L C 1.554 178.453 176.870 0.048 0.000 1.130 123 L CA 1.881 56.745 54.840 0.040 0.000 0.791 123 L CB -0.933 41.152 42.059 0.044 0.000 0.918 123 L HN 0.613 nan 8.230 nan 0.000 0.444 124 G N -0.697 108.133 108.800 0.050 0.000 2.225 124 G HA2 -0.415 3.545 3.960 0.000 0.000 0.267 124 G HA3 -0.415 3.545 3.960 0.000 0.000 0.267 124 G C 1.275 176.215 174.900 0.067 0.000 1.024 124 G CA 0.801 45.933 45.100 0.054 0.000 0.784 124 G HN 0.350 nan 8.290 nan 0.000 0.507 125 R N -0.336 120.220 120.500 0.092 0.000 2.312 125 R HA 0.354 4.694 4.340 0.000 0.000 0.205 125 R C 0.621 177.026 176.300 0.175 0.000 0.904 125 R CA 0.919 57.103 56.100 0.140 0.000 1.052 125 R CB 0.336 30.761 30.300 0.207 0.000 1.014 125 R HN 0.323 nan 8.270 nan 0.000 0.503 126 S N -0.605 115.161 115.700 0.111 0.000 2.500 126 S HA 0.142 4.612 4.470 0.000 0.000 0.301 126 S C 0.323 174.923 174.600 0.000 0.000 1.092 126 S CA -0.832 57.391 58.200 0.038 0.000 1.030 126 S CB 1.252 64.462 63.200 0.016 0.000 1.031 126 S HN 0.413 nan 8.310 nan 0.000 0.483 127 H N 0.780 119.904 119.070 0.089 0.000 2.462 127 H HA 0.091 4.647 4.556 0.000 0.000 0.292 127 H C -0.326 175.029 175.328 0.044 0.000 1.049 127 H CA 0.489 56.568 56.048 0.050 0.000 1.334 127 H CB 0.032 29.814 29.762 0.034 0.000 1.404 127 H HN 0.419 nan 8.280 nan 0.000 0.544 128 T N 1.886 116.455 114.554 0.025 0.000 2.971 128 T HA 0.417 4.767 4.350 0.000 0.000 0.304 128 T C -0.965 173.732 174.700 -0.005 0.000 1.038 128 T CA -0.703 61.454 62.100 0.094 0.000 1.007 128 T CB 2.921 71.930 68.868 0.234 0.000 1.055 128 T HN 0.025 nan 8.240 nan 0.000 0.451 129 V N 3.334 123.252 119.914 0.007 0.000 2.378 129 V HA 0.449 4.569 4.120 0.000 0.000 0.288 129 V C -0.221 175.856 176.094 -0.028 0.000 1.016 129 V CA -0.735 61.567 62.300 0.003 0.000 0.840 129 V CB 1.650 33.486 31.823 0.021 0.000 0.994 129 V HN 0.773 nan 8.190 nan 0.000 0.431 130 V N 4.538 124.430 119.914 -0.038 0.000 2.350 130 V HA 0.471 4.591 4.120 0.000 0.000 0.276 130 V C 0.355 176.334 176.094 -0.191 0.000 1.028 130 V CA -0.093 62.086 62.300 -0.201 0.000 0.860 130 V CB 1.452 33.108 31.823 -0.278 0.000 0.990 130 V HN 0.901 nan 8.190 nan 0.000 0.453 131 S N 3.896 119.435 115.700 -0.268 0.000 2.638 131 S HA 0.560 5.030 4.470 0.000 0.000 0.298 131 S C -0.581 173.859 174.600 -0.266 0.000 1.111 131 S CA -0.624 57.536 58.200 -0.068 0.000 1.027 131 S CB 1.553 64.765 63.200 0.020 0.000 1.064 131 S HN 0.811 nan 8.310 nan 0.000 0.525 132 W N 2.188 123.499 121.300 0.017 0.000 1.506 132 W HA 0.369 5.029 4.660 0.000 0.000 0.296 132 W C -1.461 175.068 176.519 0.016 0.000 0.847 132 W CA -0.357 56.992 57.345 0.007 0.000 2.203 132 W CB 0.153 29.605 29.460 -0.012 0.000 2.219 132 W HN 0.319 nan 8.180 nan 0.000 0.464 133 L N 2.357 123.663 121.223 0.139 0.000 2.289 133 L HA 0.421 4.761 4.340 0.000 0.000 0.285 133 L C 0.259 177.182 176.870 0.087 0.000 1.049 133 L CA 0.085 54.991 54.840 0.111 0.000 0.804 133 L CB 1.322 43.436 42.059 0.092 0.000 1.195 133 L HN 0.177 nan 8.230 nan 0.000 0.428 134 E N 3.040 123.285 120.200 0.075 0.000 2.506 134 E HA 0.438 4.788 4.350 0.000 0.000 0.308 134 E C -2.838 173.788 176.600 0.043 0.000 0.931 134 E CA -1.494 54.940 56.400 0.057 0.000 0.800 134 E CB 0.796 30.532 29.700 0.060 0.000 1.292 134 E HN 0.275 nan 8.360 nan 0.000 0.401 135 P HA 0.309 nan 4.420 nan 0.000 0.274 135 P C -1.351 175.964 177.300 0.026 0.000 1.246 135 P CA -0.710 62.406 63.100 0.026 0.000 0.795 135 P CB 0.478 32.187 31.700 0.016 0.000 1.006 136 L N 0.983 122.218 121.223 0.021 0.000 2.441 136 L HA 0.397 4.737 4.340 0.000 0.000 0.270 136 L C -0.067 176.788 176.870 -0.024 0.000 0.973 136 L CA -0.244 54.600 54.840 0.005 0.000 0.842 136 L CB 1.218 43.299 42.059 0.036 0.000 1.239 136 L HN 0.547 nan 8.230 nan 0.000 0.406 137 S N 3.591 119.266 115.700 -0.042 0.000 2.632 137 S HA 0.361 4.831 4.470 0.000 0.000 0.267 137 S C 1.186 175.731 174.600 -0.091 0.000 1.276 137 S CA -0.171 57.999 58.200 -0.051 0.000 0.998 137 S CB 1.124 64.300 63.200 -0.040 0.000 0.953 137 S HN 0.788 nan 8.310 nan 0.000 0.547 138 R N 0.691 121.143 120.500 -0.080 0.000 2.127 138 R HA -0.118 4.222 4.340 0.000 0.000 0.238 138 R C 2.221 178.450 176.300 -0.119 0.000 1.134 138 R CA 1.546 57.585 56.100 -0.102 0.000 0.975 138 R CB -1.021 29.240 30.300 -0.065 0.000 0.865 138 R HN 0.839 nan 8.270 nan 0.000 0.447 139 A N 0.629 123.396 122.820 -0.089 0.000 1.855 139 A HA -0.072 4.248 4.320 0.000 0.000 0.215 139 A C 2.389 179.910 177.584 -0.105 0.000 1.191 139 A CA 1.555 53.544 52.037 -0.080 0.000 0.613 139 A CB -0.965 18.003 19.000 -0.053 0.000 0.829 139 A HN 0.511 nan 8.150 nan 0.000 0.442 140 A N -0.264 122.492 122.820 -0.106 0.000 1.908 140 A HA -0.212 4.108 4.320 0.000 0.000 0.218 140 A C 2.253 179.710 177.584 -0.212 0.000 1.181 140 A CA 1.699 53.667 52.037 -0.115 0.000 0.627 140 A CB -0.518 18.432 19.000 -0.083 0.000 0.818 140 A HN 0.551 nan 8.150 nan 0.000 0.445 141 R N -0.952 119.343 120.500 -0.341 0.000 2.096 141 R HA -0.142 4.198 4.340 0.000 0.000 0.235 141 R C 2.291 178.315 176.300 -0.461 0.000 1.127 141 R CA 1.622 57.303 56.100 -0.698 0.000 0.968 141 R CB -0.202 29.624 30.300 -0.789 0.000 0.861 141 R HN 0.430 nan 8.270 nan 0.000 0.440 142 K N 1.118 121.365 120.400 -0.255 0.000 2.057 142 K HA -0.157 4.163 4.320 0.000 0.000 0.206 142 K C 2.005 178.543 176.600 -0.103 0.000 1.050 142 K CA 1.487 57.686 56.287 -0.147 0.000 0.935 142 K CB -0.144 32.297 32.500 -0.098 0.000 0.715 142 K HN 0.085 nan 8.250 nan 0.000 0.439 143 Q N -0.033 119.708 119.800 -0.098 0.000 2.061 143 Q HA -0.149 4.191 4.340 0.000 0.000 0.204 143 Q C 2.028 178.005 176.000 -0.038 0.000 0.984 143 Q CA 1.823 57.593 55.803 -0.055 0.000 0.846 143 Q CB -0.119 28.591 28.738 -0.048 0.000 0.902 143 Q HN 0.346 nan 8.270 nan 0.000 0.421 144 L N -0.265 120.923 121.223 -0.058 0.000 2.083 144 L HA -0.179 4.161 4.340 0.000 0.000 0.209 144 L C 2.678 179.582 176.870 0.057 0.000 1.083 144 L CA 1.116 55.966 54.840 0.017 0.000 0.752 144 L CB -0.494 41.603 42.059 0.063 0.000 0.899 144 L HN 0.238 nan 8.230 nan 0.000 0.433 145 S N -0.205 115.501 115.700 0.011 0.000 2.356 145 S HA -0.229 4.241 4.470 0.000 0.000 0.223 145 S C 2.184 176.807 174.600 0.038 0.000 1.032 145 S CA 1.408 59.642 58.200 0.057 0.000 1.005 145 S CB -0.125 63.085 63.200 0.017 0.000 0.867 145 S HN 0.320 nan 8.310 nan 0.000 0.449 146 R N 0.519 121.025 120.500 0.010 0.000 2.073 146 R HA -0.054 4.286 4.340 0.000 0.000 0.234 146 R C 2.374 178.687 176.300 0.021 0.000 1.134 146 R CA 1.482 57.589 56.100 0.011 0.000 0.952 146 R CB -0.723 29.576 30.300 -0.002 0.000 0.850 146 R HN 0.437 nan 8.270 nan 0.000 0.433 147 A N 0.702 123.536 122.820 0.023 0.000 1.940 147 A HA -0.134 4.186 4.320 0.000 0.000 0.219 147 A C 2.354 179.962 177.584 0.039 0.000 1.176 147 A CA 1.779 53.833 52.037 0.029 0.000 0.631 147 A CB -0.769 18.249 19.000 0.030 0.000 0.814 147 A HN 0.575 nan 8.150 nan 0.000 0.446 148 A N -0.648 122.203 122.820 0.052 0.000 1.898 148 A HA -0.199 4.121 4.320 0.000 0.000 0.216 148 A C 2.126 179.738 177.584 0.047 0.000 1.181 148 A CA 1.585 53.657 52.037 0.058 0.000 0.620 148 A CB -0.559 18.488 19.000 0.079 0.000 0.819 148 A HN 0.668 nan 8.150 nan 0.000 0.442 149 Q N -0.354 119.471 119.800 0.041 0.000 2.084 149 Q HA -0.099 4.241 4.340 0.000 0.000 0.202 149 Q C 2.090 178.107 176.000 0.029 0.000 0.978 149 Q CA 1.403 57.226 55.803 0.033 0.000 0.844 149 Q CB -0.385 28.370 28.738 0.028 0.000 0.898 149 Q HN 0.665 nan 8.270 nan 0.000 0.426 150 L N -0.160 121.079 121.223 0.027 0.000 2.079 150 L HA -0.135 4.205 4.340 0.000 0.000 0.210 150 L C 2.153 179.040 176.870 0.028 0.000 1.081 150 L CA 1.184 56.038 54.840 0.024 0.000 0.752 150 L CB -0.495 41.577 42.059 0.022 0.000 0.896 150 L HN 0.318 nan 8.230 nan 0.000 0.433 151 G N -2.115 106.705 108.800 0.034 0.000 3.042 151 G HA2 0.045 4.005 3.960 0.000 0.000 0.212 151 G HA3 0.045 4.005 3.960 0.000 0.000 0.212 151 G C 0.466 175.391 174.900 0.041 0.000 1.166 151 G CA -0.233 44.890 45.100 0.038 0.000 0.767 151 G HN 0.353 nan 8.290 nan 0.000 0.546 152 Q N -1.359 118.464 119.800 0.038 0.000 2.451 152 Q HA -0.141 4.199 4.340 0.000 0.000 0.305 152 Q C 0.297 176.326 176.000 0.049 0.000 1.345 152 Q CA 0.804 56.630 55.803 0.038 0.000 0.854 152 Q CB -1.958 26.799 28.738 0.033 0.000 1.162 152 Q HN 0.777 nan 8.270 nan 0.000 0.440 153 A N -0.500 122.351 122.820 0.053 0.000 2.486 153 A HA 0.830 5.150 4.320 0.000 0.000 0.289 153 A C -0.870 176.750 177.584 0.060 0.000 1.176 153 A CA -0.816 51.261 52.037 0.067 0.000 0.757 153 A CB 1.385 20.426 19.000 0.067 0.000 1.337 153 A HN 0.034 nan 8.150 nan 0.000 0.423 154 Q N 0.735 120.574 119.800 0.066 0.000 2.293 154 Q HA 0.490 4.830 4.340 0.000 0.000 0.261 154 Q C -0.644 175.371 176.000 0.025 0.000 0.960 154 Q CA -0.185 55.643 55.803 0.041 0.000 0.882 154 Q CB 1.742 30.499 28.738 0.032 0.000 1.275 154 Q HN 0.644 nan 8.270 nan 0.000 0.445 155 S N 2.886 118.596 115.700 0.017 0.000 2.429 155 S HA 0.585 5.055 4.470 0.000 0.000 0.302 155 S C -1.062 173.442 174.600 -0.161 0.000 1.115 155 S CA -0.622 57.585 58.200 0.012 0.000 1.095 155 S CB 0.236 63.537 63.200 0.168 0.000 0.987 155 S HN 0.440 nan 8.310 nan 0.000 0.474 156 L N 5.503 126.607 121.223 -0.199 0.000 2.372 156 L HA 0.655 4.995 4.340 0.000 0.000 0.274 156 L C -0.845 175.803 176.870 -0.369 0.000 0.988 156 L CA -0.286 54.350 54.840 -0.340 0.000 0.833 156 L CB 1.653 43.562 42.059 -0.249 0.000 1.236 156 L HN 0.724 nan 8.230 nan 0.000 0.410 157 N N 4.478 122.911 118.700 -0.446 0.000 2.430 157 N HA 0.654 5.394 4.740 0.000 0.000 0.292 157 N C -1.322 173.962 175.510 -0.377 0.000 1.051 157 N CA -0.322 52.537 53.050 -0.318 0.000 0.917 157 N CB 1.287 39.746 38.487 -0.047 0.000 1.164 157 N HN 0.611 nan 8.380 nan 0.000 0.484 158 I N 2.346 122.602 120.570 -0.523 0.000 2.509 158 I HA 0.448 4.618 4.170 0.000 0.000 0.293 158 I C -0.220 175.765 176.117 -0.221 0.000 1.020 158 I CA -0.822 60.200 61.300 -0.462 0.000 1.088 158 I CB 1.851 39.389 38.000 -0.770 0.000 1.267 158 I HN 0.338 nan 8.210 nan 0.000 0.430 159 R N 6.355 126.818 120.500 -0.062 0.000 2.513 159 R HA 0.709 5.049 4.340 0.000 0.000 0.301 159 R C -1.321 175.018 176.300 0.065 0.000 0.968 159 R CA -0.639 55.483 56.100 0.038 0.000 0.872 159 R CB 2.088 32.402 30.300 0.024 0.000 1.177 159 R HN 0.478 nan 8.270 nan 0.000 0.444 160 L N 1.423 122.709 121.223 0.105 0.000 2.322 160 L HA 0.903 5.243 4.340 0.000 0.000 0.269 160 L C 0.547 177.445 176.870 0.048 0.000 1.012 160 L CA -0.792 54.095 54.840 0.079 0.000 0.815 160 L CB 2.140 44.254 42.059 0.091 0.000 1.295 160 L HN 0.866 nan 8.230 nan 0.000 0.438 161 G N 0.000 108.818 108.800 0.030 0.000 5.446 161 G HA2 0.000 3.960 3.960 0.000 0.000 0.244 161 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 161 G CA 0.000 45.110 45.100 0.016 0.000 0.502 161 G HN 0.000 nan 8.290 nan 0.000 0.925