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 2eta_1_A DATA FIRST_RESID 75 DATA SEQUENCE FDRDRLFSVV SRGVPEELTG LLEYLRWNSK YLTDSAYTEG STGKTCLMKA DATA SEQUENCE VLNLQDGVNA CIMPLLQIDK DSGNPKPLVN AQCTDEFYQG HSALHIAIEK DATA SEQUENCE RSLQCVKLLV ENGADVHLRA CGRFFQXXXX XXFYFGELPL SLAACTKQWD DATA SEQUENCE VVTYLLENPH QPASLEATDS LGNTVLHALV MIADNSPENS ALVIHMYDGL DATA SEQUENCE LQMGARLCPT VQLEEISNHQ GLTPLKLAAK EGKIEIFRHI LQREF 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 75 F HA 0.000 nan 4.527 nan 0.000 0.279 75 F C 0.000 175.734 175.800 -0.110 0.000 0.967 75 F CA 0.000 57.844 58.000 -0.259 0.000 1.383 75 F CB 0.000 38.875 39.000 -0.209 0.000 1.145 76 D N 0.917 121.350 120.400 0.056 0.000 2.377 76 D HA 0.192 4.832 4.640 -0.001 0.000 0.245 76 D C 1.396 177.781 176.300 0.141 0.000 1.196 76 D CA -0.618 53.403 54.000 0.034 0.000 0.962 76 D CB 0.902 41.679 40.800 -0.038 0.000 1.127 76 D HN 0.271 nan 8.370 nan 0.000 0.471 77 R N 0.097 120.606 120.500 0.016 0.000 2.083 77 R HA -0.187 4.153 4.340 -0.001 0.000 0.237 77 R C 0.844 177.153 176.300 0.016 0.000 1.137 77 R CA 1.723 57.843 56.100 0.032 0.000 0.951 77 R CB -0.605 29.576 30.300 -0.199 0.000 0.851 77 R HN 0.539 nan 8.270 nan 0.000 0.434 78 D N 0.064 120.438 120.400 -0.042 0.000 2.133 78 D HA -0.241 4.399 4.640 -0.001 0.000 0.192 78 D C 1.968 178.324 176.300 0.095 0.000 1.001 78 D CA 1.499 55.495 54.000 -0.007 0.000 0.844 78 D CB -0.367 40.419 40.800 -0.024 0.000 0.944 78 D HN 0.320 nan 8.370 nan 0.000 0.447 79 R N 0.395 120.958 120.500 0.104 0.000 2.070 79 R HA -0.065 4.274 4.340 -0.001 0.000 0.233 79 R C 2.538 178.984 176.300 0.243 0.000 1.137 79 R CA 0.728 56.897 56.100 0.115 0.000 0.945 79 R CB -0.601 29.704 30.300 0.008 0.000 0.845 79 R HN 0.192 nan 8.270 nan 0.000 0.430 80 L N 0.289 121.744 121.223 0.387 0.000 2.013 80 L HA -0.227 4.112 4.340 -0.001 0.000 0.212 80 L C 2.201 179.291 176.870 0.366 0.000 1.073 80 L CA 1.666 56.761 54.840 0.424 0.000 0.753 80 L CB -0.322 42.020 42.059 0.471 0.000 0.890 80 L HN 0.233 nan 8.230 nan 0.000 0.432 81 F N -0.651 119.367 119.950 0.114 0.000 2.186 81 F HA -0.198 4.329 4.527 -0.001 0.000 0.299 81 F C 2.989 178.823 175.800 0.057 0.000 1.090 81 F CA 1.394 59.438 58.000 0.075 0.000 1.307 81 F CB -1.011 38.029 39.000 0.067 0.000 1.019 81 F HN 0.088 nan 8.300 nan 0.000 0.489 82 S N -0.096 115.752 115.700 0.246 0.000 2.351 82 S HA -0.169 4.301 4.470 -0.001 0.000 0.220 82 S C 2.346 177.007 174.600 0.101 0.000 1.035 82 S CA 1.610 59.892 58.200 0.137 0.000 1.031 82 S CB -0.646 62.615 63.200 0.102 0.000 0.928 82 S HN 0.080 nan 8.310 nan 0.000 0.433 83 V N 1.189 121.175 119.914 0.120 0.000 2.282 83 V HA -0.158 3.962 4.120 -0.001 0.000 0.249 83 V C 2.454 178.582 176.094 0.056 0.000 1.057 83 V CA 2.056 64.415 62.300 0.098 0.000 1.032 83 V CB -0.719 31.199 31.823 0.159 0.000 0.645 83 V HN 0.433 nan 8.190 nan 0.000 0.447 84 V N 0.519 120.456 119.914 0.038 0.000 2.453 84 V HA -0.190 3.929 4.120 -0.001 0.000 0.247 84 V C 2.741 178.813 176.094 -0.036 0.000 1.048 84 V CA 2.063 64.345 62.300 -0.030 0.000 1.049 84 V CB -0.333 31.422 31.823 -0.114 0.000 0.672 84 V HN 0.800 nan 8.190 nan 0.000 0.457 85 S N 0.626 116.317 115.700 -0.015 0.000 2.383 85 S HA -0.258 4.212 4.470 -0.001 0.000 0.229 85 S C 2.015 176.616 174.600 0.002 0.000 1.030 85 S CA 1.536 59.732 58.200 -0.006 0.000 1.002 85 S CB -0.487 62.730 63.200 0.030 0.000 0.829 85 S HN 0.613 nan 8.310 nan 0.000 0.467 86 R N 0.790 121.297 120.500 0.013 0.000 2.275 86 R HA 0.225 4.565 4.340 -0.001 0.000 0.199 86 R C 1.364 177.667 176.300 0.004 0.000 0.989 86 R CA 0.420 56.528 56.100 0.012 0.000 1.016 86 R CB -0.475 29.837 30.300 0.020 0.000 0.918 86 R HN 0.620 nan 8.270 nan 0.000 0.473 87 G N 1.415 110.213 108.800 -0.002 0.000 2.298 87 G HA2 -0.229 3.731 3.960 -0.001 0.000 0.287 87 G HA3 -0.229 3.731 3.960 -0.001 0.000 0.287 87 G C -0.042 174.857 174.900 -0.002 0.000 1.075 87 G CA 0.344 45.438 45.100 -0.009 0.000 0.960 87 G HN 0.263 nan 8.290 nan 0.000 0.502 88 V N -2.441 117.478 119.914 0.007 0.000 2.276 88 V HA 0.577 4.697 4.120 -0.001 0.000 0.268 88 V C -0.591 175.515 176.094 0.021 0.000 1.032 88 V CA -1.421 60.887 62.300 0.014 0.000 0.810 88 V CB 1.423 33.258 31.823 0.019 0.000 1.060 88 V HN 0.077 nan 8.190 nan 0.000 0.446 89 P HA -0.136 nan 4.420 nan 0.000 0.218 89 P C 1.147 178.462 177.300 0.026 0.000 1.148 89 P CA 1.468 64.574 63.100 0.009 0.000 0.822 89 P CB 0.467 32.165 31.700 -0.003 0.000 0.784 90 E N 0.877 121.093 120.200 0.027 0.000 2.160 90 E HA -0.187 4.163 4.350 -0.001 0.000 0.195 90 E C 1.709 178.344 176.600 0.058 0.000 0.991 90 E CA 1.070 57.489 56.400 0.033 0.000 0.810 90 E CB -0.950 28.764 29.700 0.023 0.000 0.742 90 E HN 0.453 nan 8.360 nan 0.000 0.466 91 E N 0.145 120.389 120.200 0.073 0.000 2.511 91 E HA 0.015 4.365 4.350 -0.001 0.000 0.196 91 E C 0.912 177.661 176.600 0.248 0.000 1.066 91 E CA 0.047 56.516 56.400 0.114 0.000 0.871 91 E CB 0.048 29.800 29.700 0.088 0.000 0.863 91 E HN 0.324 nan 8.360 nan 0.000 0.520 92 L N 0.632 121.965 121.223 0.183 0.000 2.611 92 L HA 0.064 4.403 4.340 -0.001 0.000 0.229 92 L C 0.595 177.553 176.870 0.147 0.000 1.137 92 L CA -0.023 54.908 54.840 0.150 0.000 0.901 92 L CB 0.042 42.090 42.059 -0.019 0.000 1.098 92 L HN -0.105 nan 8.230 nan 0.000 0.456 93 T N 0.943 115.608 114.554 0.185 0.000 2.831 93 T HA 0.258 4.608 4.350 -0.001 0.000 0.291 93 T C 1.208 176.051 174.700 0.237 0.000 0.981 93 T CA 1.094 63.280 62.100 0.144 0.000 1.174 93 T CB 0.730 69.656 68.868 0.096 0.000 0.929 93 T HN 0.619 nan 8.240 nan 0.000 0.532 94 G N 2.721 111.625 108.800 0.173 0.000 2.213 94 G HA2 -0.236 3.724 3.960 -0.001 0.000 0.236 94 G HA3 -0.236 3.724 3.960 -0.001 0.000 0.236 94 G C 0.846 175.881 174.900 0.225 0.000 0.991 94 G CA 0.198 45.426 45.100 0.213 0.000 0.629 94 G HN 0.654 nan 8.290 nan 0.000 0.517 95 L N -0.116 121.120 121.223 0.021 0.000 1.989 95 L HA -0.002 4.337 4.340 -0.001 0.000 0.211 95 L C 2.775 179.593 176.870 -0.087 0.000 1.071 95 L CA 2.582 57.198 54.840 -0.373 0.000 0.749 95 L CB -0.342 41.235 42.059 -0.802 0.000 0.890 95 L HN 0.415 nan 8.230 nan 0.000 0.431 96 L N 0.406 121.597 121.223 -0.053 0.000 1.990 96 L HA -0.265 4.075 4.340 -0.001 0.000 0.213 96 L C 2.301 179.208 176.870 0.063 0.000 1.072 96 L CA 1.933 56.772 54.840 -0.002 0.000 0.755 96 L CB -0.606 41.454 42.059 0.001 0.000 0.889 96 L HN 0.231 nan 8.230 nan 0.000 0.432 97 E N -1.381 118.879 120.200 0.099 0.000 2.058 97 E HA -0.295 4.054 4.350 -0.001 0.000 0.194 97 E C 2.078 178.791 176.600 0.189 0.000 0.997 97 E CA 1.993 58.474 56.400 0.136 0.000 0.801 97 E CB -0.702 29.068 29.700 0.117 0.000 0.746 97 E HN 0.659 nan 8.360 nan 0.000 0.450 98 Y N 0.833 121.194 120.300 0.102 0.000 2.165 98 Y HA -0.237 4.312 4.550 -0.000 0.000 0.286 98 Y C 1.819 177.805 175.900 0.144 0.000 1.155 98 Y CA 1.520 59.705 58.100 0.142 0.000 1.164 98 Y CB -0.059 38.517 38.460 0.192 0.000 0.978 98 Y HN -0.008 nan 8.280 nan 0.000 0.513 99 L N -0.453 120.822 121.223 0.087 0.000 2.027 99 L HA -0.208 4.132 4.340 -0.001 0.000 0.206 99 L C 2.642 179.453 176.870 -0.100 0.000 1.074 99 L CA 1.518 56.335 54.840 -0.038 0.000 0.745 99 L CB -0.510 41.526 42.059 -0.038 0.000 0.898 99 L HN 0.125 nan 8.230 nan 0.000 0.433 100 R N -0.890 119.601 120.500 -0.015 0.000 2.092 100 R HA -0.203 4.137 4.340 -0.001 0.000 0.231 100 R C 2.199 178.501 176.300 0.004 0.000 1.119 100 R CA 1.495 57.591 56.100 -0.007 0.000 0.970 100 R CB -0.404 29.924 30.300 0.047 0.000 0.864 100 R HN 0.510 nan 8.270 nan 0.000 0.440 101 W N 1.987 123.213 121.300 -0.123 0.000 2.335 101 W HA -0.158 4.502 4.660 -0.000 0.000 0.311 101 W C 0.757 177.173 176.519 -0.173 0.000 1.213 101 W CA 1.414 58.684 57.345 -0.125 0.000 1.274 101 W CB -0.127 29.269 29.460 -0.107 0.000 1.148 101 W HN 0.120 nan 8.180 nan 0.000 0.498 102 N N 0.126 118.780 118.700 -0.076 0.000 2.336 102 N HA -0.045 4.695 4.740 -0.001 0.000 0.189 102 N C 0.210 175.599 175.510 -0.203 0.000 1.113 102 N CA 0.901 53.848 53.050 -0.171 0.000 0.858 102 N CB 0.171 38.479 38.487 -0.298 0.000 0.970 102 N HN -0.174 nan 8.380 nan 0.000 0.471 103 S N 0.633 116.196 115.700 -0.228 0.000 3.706 103 S HA -0.157 4.313 4.470 -0.001 0.000 0.363 103 S C -0.166 174.149 174.600 -0.474 0.000 0.999 103 S CA 0.948 58.970 58.200 -0.297 0.000 1.143 103 S CB -1.074 62.008 63.200 -0.197 0.000 0.902 103 S HN 0.423 nan 8.310 nan 0.000 0.476 104 K N -0.165 119.937 120.400 -0.497 0.000 2.281 104 K HA 0.740 5.059 4.320 -0.001 0.000 0.242 104 K C -0.743 175.498 176.600 -0.599 0.000 0.971 104 K CA -0.698 55.327 56.287 -0.435 0.000 0.834 104 K CB 1.345 33.833 32.500 -0.021 0.000 1.181 104 K HN 0.235 nan 8.250 nan 0.000 0.435 105 Y N 0.248 120.617 120.300 0.114 0.000 2.536 105 Y HA 0.255 4.804 4.550 -0.001 0.000 0.347 105 Y C 1.009 176.942 175.900 0.054 0.000 1.000 105 Y CA -1.006 57.123 58.100 0.047 0.000 1.051 105 Y CB 1.350 39.835 38.460 0.042 0.000 1.259 105 Y HN 0.323 nan 8.280 nan 0.000 0.468 106 L N 0.605 121.879 121.223 0.085 0.000 2.456 106 L HA -0.103 4.237 4.340 -0.001 0.000 0.224 106 L C 1.806 178.770 176.870 0.156 0.000 1.148 106 L CA 1.509 56.324 54.840 -0.043 0.000 0.825 106 L CB -0.392 41.602 42.059 -0.108 0.000 0.937 106 L HN 0.846 nan 8.230 nan 0.000 0.450 107 T N -5.324 109.342 114.554 0.187 0.000 3.129 107 T HA 0.040 4.389 4.350 -0.001 0.000 0.251 107 T C 0.576 175.406 174.700 0.218 0.000 1.117 107 T CA -0.431 61.776 62.100 0.178 0.000 1.034 107 T CB -0.308 68.628 68.868 0.113 0.000 0.968 107 T HN 0.020 nan 8.240 nan 0.000 0.526 108 D N 2.017 122.595 120.400 0.296 0.000 2.423 108 D HA 0.193 4.833 4.640 -0.001 0.000 0.238 108 D C 1.242 177.658 176.300 0.194 0.000 1.142 108 D CA -0.077 54.076 54.000 0.255 0.000 0.884 108 D CB 1.123 42.095 40.800 0.286 0.000 1.199 108 D HN 0.019 nan 8.370 nan 0.000 0.438 109 S N 1.384 117.154 115.700 0.116 0.000 2.399 109 S HA -0.316 4.153 4.470 -0.001 0.000 0.235 109 S C 1.888 176.501 174.600 0.022 0.000 1.063 109 S CA 1.750 59.989 58.200 0.066 0.000 1.070 109 S CB -0.133 63.090 63.200 0.039 0.000 0.904 109 S HN 0.637 nan 8.310 nan 0.000 0.456 110 A N -0.730 122.070 122.820 -0.034 0.000 1.978 110 A HA -0.102 4.218 4.320 -0.001 0.000 0.220 110 A C 1.615 179.018 177.584 -0.301 0.000 1.170 110 A CA 1.477 53.389 52.037 -0.208 0.000 0.636 110 A CB -0.616 18.180 19.000 -0.340 0.000 0.810 110 A HN 0.708 nan 8.150 nan 0.000 0.448 111 Y N -0.960 119.389 120.300 0.080 0.000 2.458 111 Y HA 0.196 4.745 4.550 -0.001 0.000 0.256 111 Y C 0.577 176.567 175.900 0.151 0.000 1.159 111 Y CA 0.046 58.219 58.100 0.121 0.000 1.261 111 Y CB 0.534 39.097 38.460 0.172 0.000 1.119 111 Y HN 0.066 nan 8.280 nan 0.000 0.524 112 T N 0.909 115.572 114.554 0.181 0.000 2.855 112 T HA 0.103 4.452 4.350 -0.001 0.000 0.281 112 T C -0.440 174.272 174.700 0.019 0.000 1.007 112 T CA -0.770 61.431 62.100 0.169 0.000 1.009 112 T CB 1.342 70.305 68.868 0.159 0.000 0.983 112 T HN 0.080 nan 8.240 nan 0.000 0.455 113 E N 1.791 122.003 120.200 0.021 0.000 2.415 113 E HA 0.072 4.421 4.350 -0.001 0.000 0.260 113 E C 1.276 177.887 176.600 0.018 0.000 1.016 113 E CA -0.156 56.227 56.400 -0.029 0.000 0.924 113 E CB 0.633 30.353 29.700 0.033 0.000 0.961 113 E HN 0.893 nan 8.360 nan 0.000 0.459 114 G N 2.949 111.746 108.800 -0.005 0.000 2.432 114 G HA2 -0.276 3.683 3.960 -0.001 0.000 0.219 114 G HA3 -0.276 3.683 3.960 -0.001 0.000 0.219 114 G C 1.399 176.320 174.900 0.034 0.000 1.135 114 G CA 1.027 46.133 45.100 0.011 0.000 0.767 114 G HN 0.578 nan 8.290 nan 0.000 0.550 115 S N -0.257 115.470 115.700 0.045 0.000 2.439 115 S HA -0.027 4.443 4.470 -0.001 0.000 0.224 115 S C 2.135 176.788 174.600 0.088 0.000 1.029 115 S CA 1.559 59.798 58.200 0.066 0.000 0.946 115 S CB -0.158 63.087 63.200 0.075 0.000 0.797 115 S HN 0.490 nan 8.310 nan 0.000 0.504 116 T N -3.218 111.394 114.554 0.097 0.000 2.969 116 T HA 0.501 4.850 4.350 -0.001 0.000 0.250 116 T C 1.647 176.418 174.700 0.117 0.000 1.021 116 T CA 0.733 62.907 62.100 0.124 0.000 1.003 116 T CB -0.101 68.842 68.868 0.125 0.000 1.040 116 T HN 1.110 nan 8.240 nan 0.000 0.492 117 G N 2.065 110.929 108.800 0.107 0.000 2.155 117 G HA2 -0.306 3.653 3.960 -0.001 0.000 0.257 117 G HA3 -0.306 3.653 3.960 -0.001 0.000 0.257 117 G C 0.004 174.991 174.900 0.145 0.000 0.983 117 G CA 0.376 45.547 45.100 0.118 0.000 0.676 117 G HN 0.816 nan 8.290 nan 0.000 0.528 118 K N 1.820 122.313 120.400 0.156 0.000 2.453 118 K HA 0.293 4.612 4.320 -0.001 0.000 0.280 118 K C 1.247 178.030 176.600 0.305 0.000 1.045 118 K CA 0.821 57.218 56.287 0.183 0.000 1.059 118 K CB -0.005 32.602 32.500 0.178 0.000 0.901 118 K HN 0.457 nan 8.250 nan 0.000 0.475 119 T N 0.378 115.051 114.554 0.199 0.000 2.881 119 T HA 0.097 4.446 4.350 -0.001 0.000 0.278 119 T C 1.865 176.500 174.700 -0.108 0.000 0.982 119 T CA -0.507 61.712 62.100 0.197 0.000 0.989 119 T CB 1.035 69.964 68.868 0.102 0.000 1.058 119 T HN 0.817 nan 8.240 nan 0.000 0.529 120 C N 1.017 120.182 119.300 -0.226 0.000 2.411 120 C HA -0.024 4.436 4.460 -0.001 0.000 0.279 120 C C 2.444 177.226 174.990 -0.348 0.000 1.288 120 C CA 0.615 59.269 59.018 -0.607 0.000 1.764 120 C CB -2.076 25.505 27.740 -0.265 0.000 1.974 120 C HN 0.840 nan 8.230 nan 0.000 0.498 121 L N 0.818 121.936 121.223 -0.175 0.000 2.072 121 L HA 0.064 4.404 4.340 -0.001 0.000 0.205 121 L C 2.685 179.490 176.870 -0.109 0.000 1.079 121 L CA 1.910 56.678 54.840 -0.120 0.000 0.752 121 L CB -0.676 41.342 42.059 -0.069 0.000 0.906 121 L HN 0.279 nan 8.230 nan 0.000 0.436 122 M N -0.601 118.946 119.600 -0.088 0.000 2.108 122 M HA -0.246 4.233 4.480 -0.001 0.000 0.261 122 M C 2.272 178.510 176.300 -0.104 0.000 1.066 122 M CA 2.030 57.296 55.300 -0.058 0.000 1.107 122 M CB -0.331 32.265 32.600 -0.008 0.000 1.356 122 M HN 0.128 nan 8.290 nan 0.000 0.406 123 K N 0.726 120.997 120.400 -0.215 0.000 2.057 123 K HA -0.084 4.235 4.320 -0.001 0.000 0.207 123 K C 1.779 178.281 176.600 -0.164 0.000 1.049 123 K CA 1.765 57.912 56.287 -0.233 0.000 0.931 123 K CB -0.471 31.723 32.500 -0.511 0.000 0.714 123 K HN 0.274 nan 8.250 nan 0.000 0.440 124 A N 0.088 122.804 122.820 -0.175 0.000 1.865 124 A HA -0.140 4.179 4.320 -0.001 0.000 0.217 124 A C 2.284 179.824 177.584 -0.074 0.000 1.191 124 A CA 2.106 54.075 52.037 -0.113 0.000 0.623 124 A CB -0.913 18.022 19.000 -0.109 0.000 0.826 124 A HN 0.134 nan 8.150 nan 0.000 0.444 125 V N -0.111 119.764 119.914 -0.066 0.000 2.759 125 V HA -0.172 3.947 4.120 -0.001 0.000 0.256 125 V C 2.349 178.426 176.094 -0.029 0.000 1.080 125 V CA 1.520 63.795 62.300 -0.043 0.000 1.101 125 V CB -0.707 31.096 31.823 -0.034 0.000 0.698 125 V HN 0.523 nan 8.190 nan 0.000 0.477 126 L N -0.029 121.175 121.223 -0.033 0.000 2.291 126 L HA -0.008 4.332 4.340 -0.001 0.000 0.214 126 L C 0.748 177.608 176.870 -0.017 0.000 1.120 126 L CA 1.103 55.931 54.840 -0.020 0.000 0.799 126 L CB -0.269 41.773 42.059 -0.027 0.000 0.925 126 L HN 0.404 nan 8.230 nan 0.000 0.446 127 N N -0.152 118.532 118.700 -0.027 0.000 2.699 127 N HA 0.267 5.007 4.740 -0.001 0.000 0.317 127 N C -0.779 174.719 175.510 -0.021 0.000 1.661 127 N CA -0.135 52.904 53.050 -0.019 0.000 0.979 127 N CB 0.477 38.951 38.487 -0.022 0.000 1.329 127 N HN 0.079 nan 8.380 nan 0.000 0.497 128 L N 0.772 121.984 121.223 -0.018 0.000 2.416 128 L HA 0.198 4.538 4.340 -0.001 0.000 0.272 128 L C 0.278 177.139 176.870 -0.014 0.000 1.161 128 L CA 0.014 54.843 54.840 -0.020 0.000 0.845 128 L CB 0.744 42.791 42.059 -0.020 0.000 1.119 128 L HN 0.167 nan 8.230 nan 0.000 0.464 129 Q N 2.191 121.982 119.800 -0.015 0.000 2.372 129 Q HA 0.195 4.535 4.340 -0.001 0.000 0.259 129 Q C -0.791 175.202 176.000 -0.013 0.000 0.993 129 Q CA -0.232 55.564 55.803 -0.011 0.000 0.854 129 Q CB 0.885 29.616 28.738 -0.010 0.000 1.231 129 Q HN 0.378 nan 8.270 nan 0.000 0.462 130 D N 3.061 123.455 120.400 -0.011 0.000 2.697 130 D HA -0.203 4.437 4.640 -0.001 0.000 0.238 130 D C 0.776 177.066 176.300 -0.018 0.000 1.152 130 D CA 1.810 55.803 54.000 -0.012 0.000 0.666 130 D CB -0.966 39.828 40.800 -0.011 0.000 1.037 130 D HN 0.944 nan 8.370 nan 0.000 0.423 131 G N -2.478 106.311 108.800 -0.020 0.000 2.234 131 G HA2 -0.222 3.738 3.960 -0.001 0.000 0.260 131 G HA3 -0.222 3.738 3.960 -0.001 0.000 0.260 131 G C 0.484 175.363 174.900 -0.035 0.000 0.987 131 G CA 1.041 46.124 45.100 -0.028 0.000 0.625 131 G HN 1.414 nan 8.290 nan 0.000 0.532 132 V N -3.207 116.689 119.914 -0.031 0.000 3.074 132 V HA 0.920 5.040 4.120 -0.001 0.000 0.314 132 V C -0.480 175.596 176.094 -0.031 0.000 1.117 132 V CA -0.978 61.301 62.300 -0.034 0.000 1.014 132 V CB 2.262 34.065 31.823 -0.033 0.000 1.057 132 V HN 0.541 nan 8.190 nan 0.000 0.438 133 N N 0.688 119.367 118.700 -0.035 0.000 2.542 133 N HA 0.465 5.205 4.740 -0.001 0.000 0.288 133 N C 0.145 175.634 175.510 -0.035 0.000 1.115 133 N CA 0.261 53.290 53.050 -0.034 0.000 0.924 133 N CB 2.299 40.763 38.487 -0.039 0.000 1.526 133 N HN 1.148 nan 8.380 nan 0.000 0.515 134 A N 2.140 124.943 122.820 -0.028 0.000 2.235 134 A HA 0.060 4.380 4.320 -0.001 0.000 0.208 134 A C 1.571 179.138 177.584 -0.029 0.000 1.172 134 A CA 0.390 52.411 52.037 -0.026 0.000 0.786 134 A CB -0.446 18.542 19.000 -0.019 0.000 0.804 134 A HN 0.750 nan 8.150 nan 0.000 0.479 135 C N -0.940 118.340 119.300 -0.035 0.000 2.594 135 C HA 0.185 4.645 4.460 -0.001 0.000 0.265 135 C C 2.302 177.260 174.990 -0.053 0.000 1.351 135 C CA -0.056 58.937 59.018 -0.042 0.000 1.744 135 C CB -1.328 26.384 27.740 -0.046 0.000 1.890 135 C HN 0.676 nan 8.230 nan 0.000 0.551 136 I N 0.481 121.019 120.570 -0.053 0.000 2.133 136 I HA -0.240 3.930 4.170 -0.001 0.000 0.238 136 I C 2.647 178.731 176.117 -0.055 0.000 1.074 136 I CA 1.616 62.881 61.300 -0.058 0.000 1.342 136 I CB -0.400 37.566 38.000 -0.057 0.000 1.053 136 I HN 0.220 nan 8.210 nan 0.000 0.404 137 M N 1.049 120.619 119.600 -0.049 0.000 2.086 137 M HA -0.071 4.409 4.480 -0.001 0.000 0.261 137 M C -0.769 175.504 176.300 -0.044 0.000 1.067 137 M CA 2.167 57.439 55.300 -0.046 0.000 1.116 137 M CB -1.302 31.273 32.600 -0.042 0.000 1.348 137 M HN -0.097 nan 8.290 nan 0.000 0.407 138 P HA -0.178 nan 4.420 nan 0.000 0.216 138 P C 1.610 178.876 177.300 -0.056 0.000 1.157 138 P CA 1.162 64.237 63.100 -0.043 0.000 0.880 138 P CB -0.166 31.510 31.700 -0.039 0.000 0.791 139 L N -1.463 119.721 121.223 -0.065 0.000 2.042 139 L HA -0.158 4.182 4.340 -0.001 0.000 0.210 139 L C 2.393 179.225 176.870 -0.065 0.000 1.076 139 L CA 1.746 56.539 54.840 -0.078 0.000 0.749 139 L CB -1.613 40.395 42.059 -0.084 0.000 0.893 139 L HN -0.048 nan 8.230 nan 0.000 0.432 140 L N -1.663 119.526 121.223 -0.056 0.000 2.046 140 L HA -0.241 4.099 4.340 -0.001 0.000 0.208 140 L C 2.583 179.428 176.870 -0.042 0.000 1.077 140 L CA 1.077 55.888 54.840 -0.049 0.000 0.747 140 L CB -0.511 41.518 42.059 -0.050 0.000 0.896 140 L HN 0.280 nan 8.230 nan 0.000 0.432 141 Q N 0.634 120.411 119.800 -0.040 0.000 2.050 141 Q HA -0.173 4.166 4.340 -0.001 0.000 0.202 141 Q C 2.112 178.095 176.000 -0.028 0.000 0.980 141 Q CA 1.781 57.566 55.803 -0.031 0.000 0.840 141 Q CB -0.274 28.447 28.738 -0.028 0.000 0.898 141 Q HN 0.434 nan 8.270 nan 0.000 0.424 142 I N 0.451 120.998 120.570 -0.039 0.000 2.208 142 I HA -0.295 3.875 4.170 -0.001 0.000 0.245 142 I C 1.939 178.040 176.117 -0.027 0.000 1.097 142 I CA 1.718 62.992 61.300 -0.043 0.000 1.363 142 I CB -0.318 37.632 38.000 -0.082 0.000 1.051 142 I HN 0.338 nan 8.210 nan 0.000 0.413 143 D N 0.786 121.167 120.400 -0.031 0.000 2.117 143 D HA -0.227 4.413 4.640 -0.001 0.000 0.197 143 D C 2.239 178.540 176.300 0.001 0.000 0.987 143 D CA 1.349 55.343 54.000 -0.010 0.000 0.829 143 D CB 0.021 40.806 40.800 -0.025 0.000 0.961 143 D HN 0.022 nan 8.370 nan 0.000 0.460 144 K N 0.132 120.524 120.400 -0.013 0.000 2.026 144 K HA -0.138 4.182 4.320 -0.001 0.000 0.208 144 K C 1.332 177.935 176.600 0.006 0.000 1.048 144 K CA 1.471 57.752 56.287 -0.011 0.000 0.929 144 K CB -0.169 32.321 32.500 -0.018 0.000 0.713 144 K HN 0.186 nan 8.250 nan 0.000 0.439 145 D N 0.206 120.611 120.400 0.008 0.000 2.263 145 D HA -0.105 4.535 4.640 -0.001 0.000 0.208 145 D C 1.749 178.074 176.300 0.043 0.000 0.971 145 D CA 1.159 55.170 54.000 0.019 0.000 0.867 145 D CB -0.067 40.739 40.800 0.011 0.000 0.929 145 D HN 0.292 nan 8.370 nan 0.000 0.492 146 S N -0.657 115.080 115.700 0.062 0.000 2.522 146 S HA 0.139 4.608 4.470 -0.001 0.000 0.227 146 S C 1.770 176.498 174.600 0.213 0.000 0.986 146 S CA 0.715 58.989 58.200 0.124 0.000 0.929 146 S CB -0.074 63.218 63.200 0.153 0.000 0.769 146 S HN 0.294 nan 8.310 nan 0.000 0.529 147 G N 1.672 110.545 108.800 0.120 0.000 2.160 147 G HA2 -0.288 3.672 3.960 -0.001 0.000 0.251 147 G HA3 -0.288 3.672 3.960 -0.001 0.000 0.251 147 G C -0.104 174.776 174.900 -0.034 0.000 1.008 147 G CA 0.022 45.170 45.100 0.080 0.000 0.724 147 G HN 0.670 nan 8.290 nan 0.000 0.514 148 N N 1.120 119.745 118.700 -0.126 0.000 2.374 148 N HA 0.147 4.886 4.740 -0.001 0.000 0.269 148 N C 0.102 175.367 175.510 -0.408 0.000 1.310 148 N CA -0.870 51.855 53.050 -0.542 0.000 0.877 148 N CB 1.050 39.386 38.487 -0.253 0.000 1.096 148 N HN 0.230 nan 8.380 nan 0.000 0.484 149 P HA -0.054 nan 4.420 nan 0.000 0.223 149 P C -0.587 176.605 177.300 -0.181 0.000 1.151 149 P CA 1.099 64.041 63.100 -0.262 0.000 0.787 149 P CB 0.356 31.914 31.700 -0.236 0.000 0.788 150 K N 0.562 120.840 120.400 -0.202 0.000 2.533 150 K HA 0.355 4.675 4.320 -0.001 0.000 0.207 150 K C -2.649 173.901 176.600 -0.084 0.000 1.052 150 K CA -2.103 54.121 56.287 -0.104 0.000 1.030 150 K CB 0.774 33.234 32.500 -0.067 0.000 1.522 150 K HN -0.019 nan 8.250 nan 0.000 0.543 151 P HA -0.152 nan 4.420 nan 0.000 0.261 151 P C 0.634 177.917 177.300 -0.028 0.000 1.165 151 P CA -0.015 63.052 63.100 -0.055 0.000 0.759 151 P CB 0.506 32.179 31.700 -0.044 0.000 0.772 152 L N 6.110 127.320 121.223 -0.021 0.000 2.129 152 L HA -0.171 4.169 4.340 -0.001 0.000 0.212 152 L C 2.026 178.893 176.870 -0.005 0.000 1.087 152 L CA 1.725 56.563 54.840 -0.003 0.000 0.757 152 L CB -0.915 41.139 42.059 -0.008 0.000 0.896 152 L HN 0.235 nan 8.230 nan 0.000 0.434 153 V N 0.214 120.117 119.914 -0.018 0.000 2.469 153 V HA -0.232 3.888 4.120 -0.001 0.000 0.251 153 V C 1.635 177.723 176.094 -0.009 0.000 1.064 153 V CA 2.185 64.472 62.300 -0.022 0.000 1.066 153 V CB -0.586 31.216 31.823 -0.034 0.000 0.667 153 V HN 0.682 nan 8.190 nan 0.000 0.461 154 N N 0.198 118.897 118.700 -0.002 0.000 2.214 154 N HA 0.300 5.040 4.740 -0.001 0.000 0.214 154 N C 0.330 175.859 175.510 0.031 0.000 1.132 154 N CA 0.622 53.678 53.050 0.011 0.000 0.856 154 N CB 0.479 38.968 38.487 0.004 0.000 1.020 154 N HN 0.499 nan 8.380 nan 0.000 0.509 155 A N 0.732 123.573 122.820 0.035 0.000 2.531 155 A HA 0.147 4.467 4.320 -0.001 0.000 0.236 155 A C 0.315 177.945 177.584 0.075 0.000 1.062 155 A CA 0.420 52.490 52.037 0.056 0.000 0.760 155 A CB 0.404 19.441 19.000 0.063 0.000 0.995 155 A HN 0.242 nan 8.150 nan 0.000 0.501 156 Q N 0.368 120.220 119.800 0.086 0.000 2.375 156 Q HA 0.372 4.712 4.340 -0.001 0.000 0.271 156 Q C -1.018 175.052 176.000 0.117 0.000 1.074 156 Q CA -0.812 55.055 55.803 0.106 0.000 0.808 156 Q CB 2.073 30.867 28.738 0.093 0.000 1.327 156 Q HN 0.836 nan 8.270 nan 0.000 0.441 157 C N 1.429 120.821 119.300 0.152 0.000 2.679 157 C HA 0.086 4.546 4.460 -0.001 0.000 0.417 157 C C 1.819 176.888 174.990 0.131 0.000 1.302 157 C CA 0.336 59.449 59.018 0.159 0.000 1.973 157 C CB -0.136 27.738 27.740 0.222 0.000 2.715 157 C HN 0.982 nan 8.230 nan 0.000 0.628 158 T N -2.157 112.464 114.554 0.112 0.000 2.959 158 T HA 0.058 4.407 4.350 -0.001 0.000 0.254 158 T C 0.357 175.088 174.700 0.051 0.000 1.003 158 T CA -0.026 62.118 62.100 0.073 0.000 0.950 158 T CB -0.140 68.767 68.868 0.065 0.000 1.090 158 T HN 0.857 nan 8.240 nan 0.000 0.503 159 D N 1.680 122.128 120.400 0.079 0.000 2.369 159 D HA 0.038 4.678 4.640 -0.001 0.000 0.241 159 D C 0.723 176.972 176.300 -0.086 0.000 1.271 159 D CA -0.458 53.565 54.000 0.039 0.000 0.942 159 D CB 1.215 42.107 40.800 0.155 0.000 1.129 159 D HN 0.006 nan 8.370 nan 0.000 0.476 160 E N -0.383 119.630 120.200 -0.312 0.000 2.204 160 E HA -0.099 4.250 4.350 -0.001 0.000 0.194 160 E C 1.686 177.825 176.600 -0.767 0.000 0.989 160 E CA 0.903 56.932 56.400 -0.617 0.000 0.824 160 E CB -0.108 28.992 29.700 -1.000 0.000 0.756 160 E HN 0.528 nan 8.360 nan 0.000 0.477 161 F N -1.663 118.054 119.950 -0.389 0.000 2.374 161 F HA 0.006 4.533 4.527 -0.000 0.000 0.291 161 F C 1.334 176.672 175.800 -0.770 0.000 1.084 161 F CA 0.381 57.825 58.000 -0.927 0.000 1.413 161 F CB 0.012 38.035 39.000 -1.628 0.000 1.099 161 F HN -0.054 nan 8.300 nan 0.000 0.534 162 Y N 0.284 120.598 120.300 0.024 0.000 2.636 162 Y HA 0.234 4.784 4.550 -0.001 0.000 0.260 162 Y C 0.654 176.665 175.900 0.185 0.000 1.177 162 Y CA -0.850 57.370 58.100 0.200 0.000 1.209 162 Y CB -0.560 37.982 38.460 0.136 0.000 1.166 162 Y HN -0.038 nan 8.280 nan 0.000 0.531 163 Q N 0.742 120.643 119.800 0.168 0.000 2.320 163 Q HA 0.163 4.502 4.340 -0.001 0.000 0.311 163 Q C 1.257 177.333 176.000 0.127 0.000 1.083 163 Q CA 1.564 57.433 55.803 0.109 0.000 1.001 163 Q CB 0.068 28.812 28.738 0.011 0.000 1.074 163 Q HN 0.787 nan 8.270 nan 0.000 0.379 164 G N 2.890 111.759 108.800 0.114 0.000 2.217 164 G HA2 -0.304 3.656 3.960 -0.001 0.000 0.246 164 G HA3 -0.304 3.656 3.960 -0.001 0.000 0.246 164 G C -0.200 174.724 174.900 0.040 0.000 0.990 164 G CA 0.199 45.339 45.100 0.067 0.000 0.627 164 G HN 0.820 nan 8.290 nan 0.000 0.522 165 H N 2.006 121.071 119.070 -0.009 0.000 3.070 165 H HA 0.460 5.016 4.556 -0.001 0.000 0.313 165 H C 1.002 176.386 175.328 0.092 0.000 0.997 165 H CA 1.545 57.572 56.048 -0.035 0.000 1.438 165 H CB 0.593 30.408 29.762 0.089 0.000 1.455 165 H HN 0.574 nan 8.280 nan 0.000 0.575 166 S N 2.445 118.269 115.700 0.206 0.000 2.638 166 S HA 0.600 5.070 4.470 -0.001 0.000 0.302 166 S C 1.270 175.955 174.600 0.141 0.000 1.096 166 S CA -0.495 57.821 58.200 0.193 0.000 0.953 166 S CB 1.862 65.179 63.200 0.194 0.000 1.107 166 S HN 0.709 nan 8.310 nan 0.000 0.503 167 A N 0.759 123.622 122.820 0.071 0.000 1.948 167 A HA -0.078 4.241 4.320 -0.001 0.000 0.220 167 A C 1.999 179.577 177.584 -0.010 0.000 1.177 167 A CA 1.853 53.907 52.037 0.028 0.000 0.636 167 A CB -1.101 17.896 19.000 -0.006 0.000 0.815 167 A HN 1.001 nan 8.150 nan 0.000 0.449 168 L N -0.635 120.555 121.223 -0.056 0.000 2.017 168 L HA -0.175 4.165 4.340 -0.001 0.000 0.208 168 L C 2.229 178.987 176.870 -0.187 0.000 1.073 168 L CA 2.619 57.375 54.840 -0.141 0.000 0.745 168 L CB -0.934 40.998 42.059 -0.213 0.000 0.894 168 L HN 0.565 nan 8.230 nan 0.000 0.432 169 H N -0.752 118.217 119.070 -0.168 0.000 2.352 169 H HA -0.147 4.408 4.556 -0.001 0.000 0.299 169 H C 2.209 177.433 175.328 -0.172 0.000 1.097 169 H CA 2.372 58.252 56.048 -0.278 0.000 1.311 169 H CB -0.271 29.143 29.762 -0.580 0.000 1.377 169 H HN 0.364 nan 8.280 nan 0.000 0.504 170 I N 0.190 120.805 120.570 0.075 0.000 2.315 170 I HA -0.243 3.927 4.170 -0.001 0.000 0.248 170 I C 2.652 178.776 176.117 0.012 0.000 1.117 170 I CA 0.861 62.214 61.300 0.088 0.000 1.404 170 I CB -0.330 37.728 38.000 0.097 0.000 1.071 170 I HN 0.321 nan 8.210 nan 0.000 0.419 171 A N 1.101 123.906 122.820 -0.024 0.000 1.933 171 A HA -0.151 4.169 4.320 -0.001 0.000 0.218 171 A C 2.302 179.851 177.584 -0.059 0.000 1.175 171 A CA 1.501 53.510 52.037 -0.046 0.000 0.628 171 A CB -0.722 18.239 19.000 -0.065 0.000 0.814 171 A HN 0.390 nan 8.150 nan 0.000 0.444 172 I N -0.659 119.860 120.570 -0.085 0.000 2.233 172 I HA -0.218 3.952 4.170 -0.001 0.000 0.243 172 I C 2.410 178.479 176.117 -0.080 0.000 1.093 172 I CA 1.386 62.625 61.300 -0.101 0.000 1.380 172 I CB -0.570 37.336 38.000 -0.157 0.000 1.067 172 I HN 0.384 nan 8.210 nan 0.000 0.413 173 E N 1.090 121.243 120.200 -0.078 0.000 2.147 173 E HA -0.240 4.110 4.350 -0.001 0.000 0.199 173 E C 1.736 178.342 176.600 0.011 0.000 1.005 173 E CA 1.104 57.489 56.400 -0.025 0.000 0.810 173 E CB -0.053 29.659 29.700 0.021 0.000 0.736 173 E HN 0.352 nan 8.360 nan 0.000 0.460 174 K N 0.259 120.660 120.400 0.002 0.000 2.487 174 K HA 0.051 4.371 4.320 -0.001 0.000 0.192 174 K C 0.091 176.688 176.600 -0.005 0.000 1.027 174 K CA 0.142 56.432 56.287 0.005 0.000 1.054 174 K CB 0.201 32.701 32.500 -0.001 0.000 0.824 174 K HN 0.126 nan 8.250 nan 0.000 0.510 175 R N 0.498 120.989 120.500 -0.015 0.000 3.422 175 R HA -0.118 4.222 4.340 -0.001 0.000 0.267 175 R C -0.245 176.041 176.300 -0.024 0.000 1.074 175 R CA 0.641 56.731 56.100 -0.016 0.000 0.718 175 R CB -2.606 27.695 30.300 0.001 0.000 1.157 175 R HN 0.034 nan 8.270 nan 0.000 0.440 176 S N 0.639 116.316 115.700 -0.038 0.000 2.528 176 S HA 0.291 4.761 4.470 -0.001 0.000 0.303 176 S C 1.022 175.576 174.600 -0.077 0.000 1.123 176 S CA -0.791 57.379 58.200 -0.050 0.000 1.138 176 S CB 1.082 64.253 63.200 -0.048 0.000 0.984 176 S HN 0.352 nan 8.310 nan 0.000 0.474 177 L N 5.875 127.049 121.223 -0.082 0.000 2.013 177 L HA -0.126 4.214 4.340 -0.001 0.000 0.212 177 L C 2.353 179.109 176.870 -0.190 0.000 1.073 177 L CA 2.111 56.869 54.840 -0.136 0.000 0.753 177 L CB -0.880 41.110 42.059 -0.115 0.000 0.890 177 L HN 0.798 nan 8.230 nan 0.000 0.432 178 Q N -1.514 118.204 119.800 -0.137 0.000 2.082 178 Q HA -0.346 3.994 4.340 -0.001 0.000 0.211 178 Q C 2.510 178.427 176.000 -0.138 0.000 1.002 178 Q CA 2.598 58.323 55.803 -0.130 0.000 0.868 178 Q CB -0.796 27.891 28.738 -0.084 0.000 0.931 178 Q HN 0.733 nan 8.270 nan 0.000 0.414 179 C N -0.448 118.784 119.300 -0.112 0.000 2.466 179 C HA -0.055 4.405 4.460 -0.001 0.000 0.278 179 C C 2.638 177.559 174.990 -0.115 0.000 1.288 179 C CA 0.451 59.410 59.018 -0.098 0.000 1.722 179 C CB -0.784 26.911 27.740 -0.074 0.000 2.017 179 C HN 0.392 nan 8.230 nan 0.000 0.488 180 V N 1.370 121.203 119.914 -0.135 0.000 2.282 180 V HA -0.275 3.845 4.120 -0.001 0.000 0.249 180 V C 2.558 178.556 176.094 -0.160 0.000 1.057 180 V CA 2.303 64.525 62.300 -0.131 0.000 1.032 180 V CB -0.705 31.045 31.823 -0.123 0.000 0.645 180 V HN 0.569 nan 8.190 nan 0.000 0.447 181 K N -0.669 119.529 120.400 -0.336 0.000 2.009 181 K HA -0.201 4.118 4.320 -0.001 0.000 0.210 181 K C 2.136 178.652 176.600 -0.140 0.000 1.049 181 K CA 1.507 57.572 56.287 -0.369 0.000 0.929 181 K CB -0.507 31.711 32.500 -0.471 0.000 0.714 181 K HN 0.230 nan 8.250 nan 0.000 0.440 182 L N 1.692 122.835 121.223 -0.133 0.000 2.043 182 L HA -0.189 4.151 4.340 -0.001 0.000 0.212 182 L C 1.997 178.814 176.870 -0.088 0.000 1.075 182 L CA 1.585 56.365 54.840 -0.099 0.000 0.752 182 L CB -0.472 41.535 42.059 -0.087 0.000 0.891 182 L HN 0.169 nan 8.230 nan 0.000 0.432 183 L N -2.317 118.858 121.223 -0.079 0.000 2.027 183 L HA -0.172 4.168 4.340 -0.001 0.000 0.206 183 L C 2.372 179.208 176.870 -0.057 0.000 1.074 183 L CA 0.795 55.596 54.840 -0.065 0.000 0.745 183 L CB -0.600 41.422 42.059 -0.063 0.000 0.898 183 L HN 0.054 nan 8.230 nan 0.000 0.433 184 V N -0.187 119.715 119.914 -0.020 0.000 2.427 184 V HA -0.236 3.883 4.120 -0.001 0.000 0.248 184 V C 2.231 178.265 176.094 -0.099 0.000 1.051 184 V CA 1.598 63.908 62.300 0.018 0.000 1.048 184 V CB -0.444 31.500 31.823 0.202 0.000 0.666 184 V HN 0.441 nan 8.190 nan 0.000 0.456 185 E N 0.187 120.264 120.200 -0.204 0.000 2.338 185 E HA -0.094 4.256 4.350 -0.001 0.000 0.197 185 E C 0.978 177.392 176.600 -0.310 0.000 1.007 185 E CA 0.613 56.709 56.400 -0.507 0.000 0.849 185 E CB -0.036 29.463 29.700 -0.334 0.000 0.774 185 E HN 0.581 nan 8.360 nan 0.000 0.506 186 N N -0.444 118.156 118.700 -0.167 0.000 2.401 186 N HA 0.092 4.832 4.740 -0.001 0.000 0.264 186 N C 0.214 175.678 175.510 -0.076 0.000 1.238 186 N CA 0.520 53.505 53.050 -0.107 0.000 0.889 186 N CB 1.692 40.129 38.487 -0.084 0.000 1.196 186 N HN 0.195 nan 8.380 nan 0.000 0.511 187 G N 0.469 109.225 108.800 -0.073 0.000 2.144 187 G HA2 -0.253 3.707 3.960 -0.001 0.000 0.218 187 G HA3 -0.253 3.707 3.960 -0.001 0.000 0.218 187 G C 0.294 175.172 174.900 -0.036 0.000 0.988 187 G CA -0.065 45.010 45.100 -0.042 0.000 0.659 187 G HN 0.531 nan 8.290 nan 0.000 0.522 188 A N 0.373 123.166 122.820 -0.044 0.000 2.546 188 A HA 0.428 4.748 4.320 -0.001 0.000 0.243 188 A C 0.533 178.086 177.584 -0.052 0.000 1.063 188 A CA 0.849 52.857 52.037 -0.048 0.000 0.757 188 A CB 0.296 19.261 19.000 -0.058 0.000 0.991 188 A HN 0.524 nan 8.150 nan 0.000 0.503 189 D N 2.614 122.986 120.400 -0.048 0.000 2.336 189 D HA 0.182 4.821 4.640 -0.001 0.000 0.249 189 D C 1.202 177.434 176.300 -0.114 0.000 1.213 189 D CA 0.093 54.065 54.000 -0.046 0.000 0.870 189 D CB 0.998 41.798 40.800 0.000 0.000 1.076 189 D HN 0.410 nan 8.370 nan 0.000 0.483 190 V N 2.599 122.384 119.914 -0.215 0.000 3.510 190 V HA 0.036 4.155 4.120 -0.001 0.000 0.270 190 V C 0.809 176.615 176.094 -0.479 0.000 1.201 190 V CA 0.821 62.904 62.300 -0.362 0.000 1.166 190 V CB -0.686 30.896 31.823 -0.401 0.000 0.825 190 V HN 0.540 nan 8.190 nan 0.000 0.484 191 H N 0.062 119.111 119.070 -0.034 0.000 2.528 191 H HA 0.471 5.027 4.556 -0.001 0.000 0.282 191 H C 0.495 175.836 175.328 0.022 0.000 1.097 191 H CA -0.495 55.547 56.048 -0.009 0.000 1.121 191 H CB 0.402 30.163 29.762 -0.002 0.000 1.590 191 H HN 0.390 nan 8.280 nan 0.000 0.553 192 L N 1.711 122.989 121.223 0.091 0.000 2.456 192 L HA 0.132 4.472 4.340 -0.001 0.000 0.272 192 L C 0.574 177.586 176.870 0.237 0.000 1.189 192 L CA 0.288 55.214 54.840 0.142 0.000 0.846 192 L CB 0.611 42.751 42.059 0.136 0.000 1.111 192 L HN -0.013 nan 8.230 nan 0.000 0.475 193 R N 2.375 122.975 120.500 0.167 0.000 2.295 193 R HA 0.505 4.845 4.340 -0.001 0.000 0.324 193 R C -0.430 175.858 176.300 -0.021 0.000 0.968 193 R CA -0.513 55.652 56.100 0.108 0.000 0.837 193 R CB 1.528 31.865 30.300 0.061 0.000 1.133 193 R HN 0.696 nan 8.270 nan 0.000 0.450 194 A N 2.480 125.165 122.820 -0.226 0.000 2.316 194 A HA 0.253 4.573 4.320 -0.001 0.000 0.311 194 A C 0.584 178.082 177.584 -0.142 0.000 1.339 194 A CA -0.693 51.144 52.037 -0.334 0.000 0.960 194 A CB -0.280 18.220 19.000 -0.834 0.000 1.152 194 A HN 1.056 nan 8.150 nan 0.000 0.547 195 C N 1.108 120.402 119.300 -0.010 0.000 3.098 195 C HA 0.591 5.050 4.460 -0.001 0.000 0.265 195 C C 0.985 176.008 174.990 0.054 0.000 1.572 195 C CA -0.370 58.655 59.018 0.012 0.000 1.788 195 C CB -0.888 26.852 27.740 0.001 0.000 2.982 195 C HN 0.881 nan 8.230 nan 0.000 0.532 196 G N 0.878 109.768 108.800 0.150 0.000 2.599 196 G HA2 0.377 4.337 3.960 -0.001 0.000 0.264 196 G HA3 0.377 4.337 3.960 -0.001 0.000 0.264 196 G C 0.798 175.671 174.900 -0.045 0.000 1.200 196 G CA -0.632 44.490 45.100 0.037 0.000 0.896 196 G HN 0.544 nan 8.290 nan 0.000 0.536 197 R N 0.011 120.377 120.500 -0.223 0.000 2.159 197 R HA -0.100 4.240 4.340 -0.001 0.000 0.237 197 R C 1.955 178.206 176.300 -0.082 0.000 1.131 197 R CA 1.124 57.122 56.100 -0.170 0.000 0.982 197 R CB -0.285 29.883 30.300 -0.220 0.000 0.868 197 R HN 0.639 nan 8.270 nan 0.000 0.453 198 F N -0.019 119.677 119.950 -0.424 0.000 2.325 198 F HA -0.056 4.471 4.527 -0.001 0.000 0.299 198 F C 0.730 175.971 175.800 -0.932 0.000 1.090 198 F CA 0.212 57.728 58.000 -0.808 0.000 1.392 198 F CB 0.100 38.314 39.000 -1.310 0.000 1.053 198 F HN -0.078 nan 8.300 nan 0.000 0.521 199 F N 0.558 120.570 119.950 0.103 0.000 2.883 199 F HA 0.254 4.780 4.527 -0.001 0.000 0.312 199 F C 0.242 176.051 175.800 0.015 0.000 1.246 199 F CA -0.607 57.392 58.000 -0.002 0.000 1.238 199 F CB -0.259 38.672 39.000 -0.114 0.000 1.195 199 F HN -0.156 nan 8.300 nan 0.000 0.526 208 Y N 4.394 124.860 120.300 0.276 0.000 2.425 208 Y HA 0.462 5.012 4.550 -0.001 0.000 0.331 208 Y C 0.061 176.101 175.900 0.233 0.000 1.157 208 Y CA -0.804 57.338 58.100 0.070 0.000 1.372 208 Y CB 0.883 39.379 38.460 0.061 0.000 1.253 208 Y HN 0.612 nan 8.280 nan 0.000 0.536 209 F N 1.986 121.581 119.950 -0.593 0.000 2.880 209 F HA 0.487 5.013 4.527 -0.001 0.000 0.328 209 F C 0.948 176.401 175.800 -0.578 0.000 1.146 209 F CA -0.453 57.309 58.000 -0.397 0.000 1.135 209 F CB 0.296 39.221 39.000 -0.124 0.000 1.151 209 F HN 0.672 nan 8.300 nan 0.000 0.523 210 G N 0.892 108.930 108.800 -1.271 0.000 2.132 210 G HA2 -0.303 3.657 3.960 -0.001 0.000 0.234 210 G HA3 -0.303 3.657 3.960 -0.001 0.000 0.234 210 G C 0.356 175.121 174.900 -0.224 0.000 0.989 210 G CA 0.247 45.021 45.100 -0.544 0.000 0.676 210 G HN 0.506 nan 8.290 nan 0.000 0.522 211 E N -2.266 117.655 120.200 -0.464 0.000 3.562 211 E HA -0.261 4.088 4.350 -0.001 0.000 0.298 211 E C 0.628 177.340 176.600 0.185 0.000 0.830 211 E CA 1.483 57.758 56.400 -0.209 0.000 1.013 211 E CB -0.907 28.738 29.700 -0.091 0.000 1.510 211 E HN 0.706 nan 8.360 nan 0.000 0.463 212 L N -0.861 120.515 121.223 0.256 0.000 2.342 212 L HA 0.289 4.629 4.340 -0.001 0.000 0.271 212 L C -1.683 175.289 176.870 0.169 0.000 1.008 212 L CA -2.288 52.682 54.840 0.216 0.000 0.818 212 L CB 1.328 43.467 42.059 0.133 0.000 1.296 212 L HN -0.273 nan 8.230 nan 0.000 0.427 213 P HA -0.211 nan 4.420 nan 0.000 0.215 213 P C 1.534 178.762 177.300 -0.119 0.000 1.157 213 P CA 0.964 63.937 63.100 -0.213 0.000 0.874 213 P CB 0.256 31.755 31.700 -0.335 0.000 0.790 214 L N -0.654 120.521 121.223 -0.079 0.000 2.046 214 L HA -0.148 4.192 4.340 -0.001 0.000 0.208 214 L C 2.082 178.928 176.870 -0.041 0.000 1.077 214 L CA 2.085 56.888 54.840 -0.063 0.000 0.747 214 L CB -1.366 40.669 42.059 -0.041 0.000 0.896 214 L HN -0.129 nan 8.230 nan 0.000 0.432 215 S N -0.457 115.253 115.700 0.017 0.000 2.368 215 S HA -0.141 4.328 4.470 -0.001 0.000 0.224 215 S C 1.807 176.446 174.600 0.065 0.000 1.029 215 S CA 1.324 59.553 58.200 0.048 0.000 0.988 215 S CB -0.615 62.634 63.200 0.082 0.000 0.838 215 S HN 0.475 nan 8.310 nan 0.000 0.462 216 L N 2.244 123.499 121.223 0.053 0.000 2.012 216 L HA -0.042 4.298 4.340 -0.001 0.000 0.210 216 L C 2.339 179.124 176.870 -0.141 0.000 1.073 216 L CA 1.984 56.713 54.840 -0.185 0.000 0.748 216 L CB -1.070 40.623 42.059 -0.610 0.000 0.891 216 L HN 0.240 nan 8.230 nan 0.000 0.431 217 A N -0.515 122.225 122.820 -0.133 0.000 1.902 217 A HA -0.070 4.250 4.320 -0.001 0.000 0.217 217 A C 2.445 179.936 177.584 -0.156 0.000 1.181 217 A CA 1.860 53.818 52.037 -0.132 0.000 0.623 217 A CB -1.174 17.753 19.000 -0.122 0.000 0.818 217 A HN 0.614 nan 8.150 nan 0.000 0.443 218 A N -0.950 121.780 122.820 -0.150 0.000 1.873 218 A HA -0.157 4.162 4.320 -0.001 0.000 0.215 218 A C 2.296 179.809 177.584 -0.118 0.000 1.186 218 A CA 1.622 53.542 52.037 -0.194 0.000 0.616 218 A CB -1.316 17.598 19.000 -0.144 0.000 0.823 218 A HN 0.595 nan 8.150 nan 0.000 0.442 219 C N -0.256 119.034 119.300 -0.016 0.000 2.411 219 C HA -0.068 4.391 4.460 -0.001 0.000 0.279 219 C C 2.740 177.742 174.990 0.020 0.000 1.288 219 C CA 1.611 60.661 59.018 0.054 0.000 1.764 219 C CB -1.378 26.483 27.740 0.202 0.000 1.974 219 C HN 0.771 nan 8.230 nan 0.000 0.498 220 T N -2.688 111.869 114.554 0.004 0.000 3.188 220 T HA 0.160 4.509 4.350 -0.001 0.000 0.250 220 T C 0.499 175.174 174.700 -0.041 0.000 1.077 220 T CA -0.021 62.074 62.100 -0.008 0.000 0.967 220 T CB -0.538 68.349 68.868 0.031 0.000 1.006 220 T HN 0.634 nan 8.240 nan 0.000 0.552 221 K N 1.042 121.385 120.400 -0.095 0.000 3.096 221 K HA -0.182 4.137 4.320 -0.001 0.000 0.266 221 K C -0.512 176.003 176.600 -0.142 0.000 1.043 221 K CA 0.432 56.635 56.287 -0.139 0.000 0.758 221 K CB -1.762 30.761 32.500 0.039 0.000 1.260 221 K HN 0.617 nan 8.250 nan 0.000 0.481 222 Q N -0.098 119.589 119.800 -0.189 0.000 2.503 222 Q HA 0.083 4.422 4.340 -0.001 0.000 0.227 222 Q C 0.317 176.253 176.000 -0.108 0.000 1.109 222 Q CA -0.408 55.348 55.803 -0.079 0.000 0.922 222 Q CB 0.240 28.946 28.738 -0.054 0.000 1.249 222 Q HN 0.318 nan 8.270 nan 0.000 0.530 223 W N 1.653 122.958 121.300 0.008 0.000 2.358 223 W HA -0.205 4.455 4.660 -0.001 0.000 0.303 223 W C 1.912 178.441 176.519 0.017 0.000 1.208 223 W CA 1.502 58.854 57.345 0.011 0.000 1.274 223 W CB 0.070 29.532 29.460 0.003 0.000 1.138 223 W HN 0.671 nan 8.180 nan 0.000 0.515 224 D N -0.200 120.335 120.400 0.224 0.000 2.117 224 D HA -0.160 4.480 4.640 -0.001 0.000 0.198 224 D C 1.929 178.299 176.300 0.116 0.000 0.982 224 D CA 1.684 55.771 54.000 0.145 0.000 0.828 224 D CB -1.169 39.687 40.800 0.094 0.000 0.967 224 D HN 0.140 nan 8.370 nan 0.000 0.464 225 V N 0.749 120.702 119.914 0.065 0.000 2.307 225 V HA -0.190 3.930 4.120 -0.001 0.000 0.245 225 V C 2.959 179.086 176.094 0.056 0.000 1.045 225 V CA 1.163 63.496 62.300 0.055 0.000 1.024 225 V CB -0.402 31.415 31.823 -0.010 0.000 0.651 225 V HN 0.099 nan 8.190 nan 0.000 0.449 226 V N 1.133 121.035 119.914 -0.020 0.000 2.252 226 V HA -0.335 3.785 4.120 -0.001 0.000 0.249 226 V C 2.895 178.989 176.094 -0.001 0.000 1.056 226 V CA 2.930 65.191 62.300 -0.065 0.000 1.022 226 V CB -1.245 30.455 31.823 -0.204 0.000 0.641 226 V HN 0.846 nan 8.190 nan 0.000 0.445 227 T N -2.267 112.327 114.554 0.067 0.000 2.821 227 T HA -0.274 4.076 4.350 -0.001 0.000 0.267 227 T C 1.844 176.579 174.700 0.058 0.000 1.046 227 T CA 1.823 63.971 62.100 0.079 0.000 1.139 227 T CB -0.620 68.328 68.868 0.133 0.000 0.871 227 T HN 0.497 nan 8.240 nan 0.000 0.454 228 Y N 2.059 122.362 120.300 0.005 0.000 2.128 228 Y HA -0.003 4.546 4.550 -0.000 0.000 0.284 228 Y C 2.174 178.062 175.900 -0.021 0.000 1.154 228 Y CA 1.234 59.331 58.100 -0.004 0.000 1.149 228 Y CB -0.551 37.905 38.460 -0.006 0.000 0.976 228 Y HN 0.170 nan 8.280 nan 0.000 0.505 229 L N -0.568 120.621 121.223 -0.057 0.000 2.042 229 L HA -0.279 4.061 4.340 -0.001 0.000 0.210 229 L C 2.452 179.211 176.870 -0.185 0.000 1.076 229 L CA 1.470 56.225 54.840 -0.141 0.000 0.749 229 L CB -0.641 41.376 42.059 -0.070 0.000 0.893 229 L HN 0.317 nan 8.230 nan 0.000 0.432 230 L N -0.950 120.199 121.223 -0.123 0.000 2.109 230 L HA -0.132 4.208 4.340 -0.001 0.000 0.207 230 L C 2.286 179.085 176.870 -0.119 0.000 1.086 230 L CA 0.947 55.730 54.840 -0.094 0.000 0.760 230 L CB -0.245 41.784 42.059 -0.050 0.000 0.910 230 L HN 0.284 nan 8.230 nan 0.000 0.437 231 E N -0.280 119.824 120.200 -0.160 0.000 2.473 231 E HA 0.031 4.381 4.350 -0.001 0.000 0.204 231 E C 0.238 176.704 176.600 -0.223 0.000 0.994 231 E CA -0.106 56.206 56.400 -0.147 0.000 0.945 231 E CB -0.150 29.498 29.700 -0.086 0.000 0.990 231 E HN 0.592 nan 8.360 nan 0.000 0.493 232 N N 2.529 120.993 118.700 -0.395 0.000 2.416 232 N HA -0.009 4.731 4.740 -0.001 0.000 0.246 232 N C -1.704 173.617 175.510 -0.315 0.000 1.260 232 N CA -0.729 52.043 53.050 -0.463 0.000 0.897 232 N CB 0.641 38.604 38.487 -0.873 0.000 1.110 232 N HN -0.241 nan 8.380 nan 0.000 0.439 233 P HA 0.020 nan 4.420 nan 0.000 0.249 233 P C -0.124 176.959 177.300 -0.362 0.000 1.229 233 P CA 0.993 63.875 63.100 -0.364 0.000 0.788 233 P CB 0.098 31.561 31.700 -0.394 0.000 1.072 234 H N -1.214 117.812 119.070 -0.075 0.000 2.388 234 H HA 0.247 4.803 4.556 -0.001 0.000 0.304 234 H C 1.071 176.367 175.328 -0.054 0.000 1.049 234 H CA 0.670 56.691 56.048 -0.046 0.000 1.371 234 H CB 0.282 30.032 29.762 -0.020 0.000 1.436 234 H HN -0.059 nan 8.280 nan 0.000 0.544 235 Q N 1.016 120.833 119.800 0.028 0.000 3.550 235 Q HA 0.194 4.534 4.340 -0.001 0.000 0.206 235 Q C -2.922 173.025 176.000 -0.088 0.000 0.891 235 Q CA -1.650 54.140 55.803 -0.021 0.000 0.737 235 Q CB 1.976 30.700 28.738 -0.023 0.000 1.417 235 Q HN 0.245 nan 8.270 nan 0.000 0.460 236 P HA 0.156 nan 4.420 nan 0.000 0.271 236 P C -0.538 176.729 177.300 -0.055 0.000 1.216 236 P CA -0.019 63.023 63.100 -0.097 0.000 0.771 236 P CB 0.869 32.526 31.700 -0.071 0.000 0.864 237 A N 2.997 125.759 122.820 -0.097 0.000 2.371 237 A HA 0.364 4.684 4.320 -0.001 0.000 0.257 237 A C 0.556 178.219 177.584 0.131 0.000 1.089 237 A CA -0.209 51.794 52.037 -0.057 0.000 0.794 237 A CB -0.054 18.870 19.000 -0.125 0.000 1.029 237 A HN 0.504 nan 8.150 nan 0.000 0.488 238 S N 1.677 117.605 115.700 0.381 0.000 2.475 238 S HA 0.352 4.821 4.470 -0.001 0.000 0.281 238 S C 0.994 175.643 174.600 0.082 0.000 1.198 238 S CA -0.693 57.592 58.200 0.143 0.000 1.063 238 S CB 0.016 63.228 63.200 0.021 0.000 0.972 238 S HN 0.572 nan 8.310 nan 0.000 0.486 239 L N 4.199 125.438 121.223 0.026 0.000 2.265 239 L HA -0.072 4.268 4.340 -0.001 0.000 0.215 239 L C 2.080 178.950 176.870 0.001 0.000 1.117 239 L CA 1.309 56.149 54.840 0.000 0.000 0.782 239 L CB -0.241 41.802 42.059 -0.026 0.000 0.914 239 L HN 0.739 nan 8.230 nan 0.000 0.441 240 E N 0.129 120.328 120.200 -0.002 0.000 2.435 240 E HA 0.108 4.458 4.350 -0.001 0.000 0.195 240 E C 0.918 177.514 176.600 -0.006 0.000 1.029 240 E CA 0.062 56.460 56.400 -0.004 0.000 0.865 240 E CB 0.096 29.787 29.700 -0.015 0.000 0.833 240 E HN 0.412 nan 8.360 nan 0.000 0.510 241 A N 1.984 124.796 122.820 -0.014 0.000 2.483 241 A HA 0.206 4.526 4.320 -0.001 0.000 0.238 241 A C 0.546 178.138 177.584 0.014 0.000 1.070 241 A CA 0.137 52.154 52.037 -0.033 0.000 0.770 241 A CB 0.097 19.079 19.000 -0.031 0.000 1.008 241 A HN 0.155 nan 8.150 nan 0.000 0.497 242 T N -0.283 114.273 114.554 0.003 0.000 2.907 242 T HA 0.619 4.969 4.350 -0.001 0.000 0.292 242 T C -0.460 174.238 174.700 -0.004 0.000 1.043 242 T CA -0.412 61.688 62.100 -0.001 0.000 1.003 242 T CB 1.579 70.432 68.868 -0.024 0.000 1.084 242 T HN 0.742 nan 8.240 nan 0.000 0.483 243 D N 0.209 120.597 120.400 -0.021 0.000 2.507 243 D HA 0.239 4.879 4.640 -0.001 0.000 0.280 243 D C 1.542 177.809 176.300 -0.054 0.000 1.219 243 D CA -0.277 53.718 54.000 -0.008 0.000 1.085 243 D CB 0.090 40.904 40.800 0.024 0.000 1.134 243 D HN 0.550 nan 8.370 nan 0.000 0.583 244 S N -1.429 114.259 115.700 -0.020 0.000 2.555 244 S HA -0.025 4.445 4.470 -0.001 0.000 0.230 244 S C 1.595 176.142 174.600 -0.087 0.000 0.978 244 S CA 0.135 58.337 58.200 0.003 0.000 0.934 244 S CB -0.668 62.549 63.200 0.029 0.000 0.766 244 S HN 0.494 nan 8.310 nan 0.000 0.533 245 L N 0.402 121.483 121.223 -0.238 0.000 2.640 245 L HA 0.386 4.726 4.340 -0.001 0.000 0.230 245 L C 1.786 178.133 176.870 -0.871 0.000 1.123 245 L CA 0.303 54.913 54.840 -0.384 0.000 0.900 245 L CB -0.393 41.544 42.059 -0.205 0.000 1.146 245 L HN 0.540 nan 8.230 nan 0.000 0.484 246 G N 0.629 108.855 108.800 -0.956 0.000 2.159 246 G HA2 -0.289 3.670 3.960 -0.001 0.000 0.256 246 G HA3 -0.289 3.670 3.960 -0.001 0.000 0.256 246 G C 0.015 174.668 174.900 -0.411 0.000 0.977 246 G CA -0.039 44.632 45.100 -0.716 0.000 0.652 246 G HN 0.521 nan 8.290 nan 0.000 0.531 247 N N 1.553 120.061 118.700 -0.321 0.000 2.458 247 N HA 0.478 5.217 4.740 -0.001 0.000 0.270 247 N C 0.819 176.348 175.510 0.032 0.000 1.102 247 N CA 0.349 53.253 53.050 -0.243 0.000 0.967 247 N CB 0.853 39.346 38.487 0.010 0.000 1.078 247 N HN 0.447 nan 8.380 nan 0.000 0.471 248 T N -1.366 113.367 114.554 0.297 0.000 2.788 248 T HA 0.037 4.387 4.350 -0.001 0.000 0.280 248 T C 1.409 176.219 174.700 0.184 0.000 0.984 248 T CA -0.829 61.412 62.100 0.235 0.000 0.972 248 T CB 1.099 70.099 68.868 0.221 0.000 1.039 248 T HN 0.189 nan 8.240 nan 0.000 0.530 249 V N 1.105 121.071 119.914 0.087 0.000 2.453 249 V HA -0.109 4.010 4.120 -0.001 0.000 0.252 249 V C 2.276 178.399 176.094 0.049 0.000 1.068 249 V CA 1.760 64.090 62.300 0.049 0.000 1.070 249 V CB -1.056 30.765 31.823 -0.004 0.000 0.664 249 V HN 0.805 nan 8.190 nan 0.000 0.461 250 L N -0.803 120.421 121.223 0.000 0.000 2.056 250 L HA -0.119 4.221 4.340 -0.001 0.000 0.207 250 L C 2.642 179.566 176.870 0.091 0.000 1.078 250 L CA 1.843 56.661 54.840 -0.037 0.000 0.749 250 L CB -1.062 40.861 42.059 -0.227 0.000 0.901 250 L HN 0.453 nan 8.230 nan 0.000 0.433 251 H N -0.072 119.076 119.070 0.130 0.000 2.353 251 H HA -0.104 4.452 4.556 -0.001 0.000 0.300 251 H C 2.324 177.757 175.328 0.176 0.000 1.090 251 H CA 1.415 57.553 56.048 0.150 0.000 1.327 251 H CB -0.030 29.805 29.762 0.121 0.000 1.383 251 H HN 0.359 nan 8.280 nan 0.000 0.508 252 A N 1.446 124.434 122.820 0.281 0.000 1.908 252 A HA -0.141 4.179 4.320 -0.001 0.000 0.218 252 A C 2.446 180.144 177.584 0.191 0.000 1.181 252 A CA 1.148 53.308 52.037 0.205 0.000 0.627 252 A CB -0.541 18.506 19.000 0.077 0.000 0.818 252 A HN 0.149 nan 8.150 nan 0.000 0.445 253 L N -0.357 120.969 121.223 0.172 0.000 2.056 253 L HA -0.100 4.240 4.340 -0.001 0.000 0.207 253 L C 2.647 179.612 176.870 0.158 0.000 1.078 253 L CA 1.348 56.284 54.840 0.159 0.000 0.749 253 L CB -1.135 41.040 42.059 0.193 0.000 0.901 253 L HN 0.225 nan 8.230 nan 0.000 0.433 254 V N -0.755 119.265 119.914 0.177 0.000 2.332 254 V HA -0.337 3.782 4.120 -0.001 0.000 0.248 254 V C 2.642 178.827 176.094 0.153 0.000 1.055 254 V CA 1.383 63.768 62.300 0.142 0.000 1.038 254 V CB -0.516 31.396 31.823 0.148 0.000 0.651 254 V HN 0.341 nan 8.190 nan 0.000 0.450 255 M N -0.003 119.721 119.600 0.206 0.000 2.159 255 M HA -0.076 4.404 4.480 -0.001 0.000 0.263 255 M C 2.120 178.542 176.300 0.204 0.000 1.063 255 M CA 1.819 57.258 55.300 0.232 0.000 1.110 255 M CB -1.035 31.792 32.600 0.378 0.000 1.374 255 M HN 0.599 nan 8.290 nan 0.000 0.411 256 I N -2.216 118.462 120.570 0.181 0.000 3.603 256 I HA 0.330 4.500 4.170 -0.001 0.000 0.297 256 I C 1.039 177.201 176.117 0.074 0.000 1.269 256 I CA -0.462 60.919 61.300 0.135 0.000 1.361 256 I CB -1.089 36.985 38.000 0.122 0.000 1.063 256 I HN -0.039 nan 8.210 nan 0.000 0.448 257 A N 1.865 124.731 122.820 0.076 0.000 2.565 257 A HA 0.131 4.450 4.320 -0.001 0.000 0.237 257 A C -0.052 177.555 177.584 0.039 0.000 1.053 257 A CA 0.244 52.309 52.037 0.047 0.000 0.755 257 A CB -0.312 18.713 19.000 0.042 0.000 0.980 257 A HN 0.401 nan 8.150 nan 0.000 0.506 258 D N 0.928 121.342 120.400 0.023 0.000 2.388 258 D HA 0.176 4.816 4.640 -0.001 0.000 0.254 258 D C 0.316 176.626 176.300 0.018 0.000 1.111 258 D CA -0.485 53.527 54.000 0.019 0.000 0.993 258 D CB 0.678 41.484 40.800 0.010 0.000 1.118 258 D HN 0.516 nan 8.370 nan 0.000 0.502 259 N N -0.277 118.433 118.700 0.017 0.000 2.313 259 N HA -0.037 4.702 4.740 -0.001 0.000 0.207 259 N C -0.009 175.507 175.510 0.011 0.000 1.141 259 N CA 0.023 53.082 53.050 0.014 0.000 0.830 259 N CB 0.234 38.731 38.487 0.015 0.000 1.008 259 N HN 0.276 nan 8.380 nan 0.000 0.481 260 S N 1.191 116.897 115.700 0.010 0.000 2.531 260 S HA 0.208 4.677 4.470 -0.001 0.000 0.279 260 S C -1.119 173.486 174.600 0.009 0.000 1.305 260 S CA -1.052 57.154 58.200 0.009 0.000 1.058 260 S CB 1.790 64.995 63.200 0.009 0.000 0.899 260 S HN -0.018 nan 8.310 nan 0.000 0.493 261 P HA -0.216 nan 4.420 nan 0.000 0.217 261 P C 1.007 178.314 177.300 0.011 0.000 1.162 261 P CA 1.719 64.824 63.100 0.008 0.000 0.901 261 P CB 0.054 31.760 31.700 0.011 0.000 0.793 262 E N -1.048 119.162 120.200 0.016 0.000 2.107 262 E HA -0.122 4.228 4.350 -0.001 0.000 0.191 262 E C 2.244 178.863 176.600 0.031 0.000 0.982 262 E CA 0.607 57.023 56.400 0.026 0.000 0.809 262 E CB -0.472 29.243 29.700 0.026 0.000 0.756 262 E HN 0.293 nan 8.360 nan 0.000 0.459 263 N N 0.655 119.368 118.700 0.022 0.000 2.106 263 N HA -0.169 4.570 4.740 -0.001 0.000 0.188 263 N C 1.934 177.456 175.510 0.019 0.000 1.029 263 N CA 1.723 54.787 53.050 0.023 0.000 0.848 263 N CB 0.016 38.510 38.487 0.012 0.000 1.007 263 N HN 0.132 nan 8.380 nan 0.000 0.423 264 S N 0.489 116.191 115.700 0.003 0.000 2.399 264 S HA -0.018 4.451 4.470 -0.001 0.000 0.231 264 S C 2.266 176.835 174.600 -0.052 0.000 1.022 264 S CA 1.071 59.258 58.200 -0.022 0.000 0.983 264 S CB -0.488 62.697 63.200 -0.025 0.000 0.803 264 S HN 0.438 nan 8.310 nan 0.000 0.480 265 A N 2.099 124.899 122.820 -0.033 0.000 1.883 265 A HA 0.032 4.352 4.320 -0.001 0.000 0.217 265 A C 2.292 179.880 177.584 0.008 0.000 1.186 265 A CA 1.648 53.649 52.037 -0.059 0.000 0.624 265 A CB -0.835 18.172 19.000 0.012 0.000 0.822 265 A HN 0.504 nan 8.150 nan 0.000 0.444 266 L N -0.361 120.932 121.223 0.117 0.000 2.056 266 L HA -0.102 4.238 4.340 -0.001 0.000 0.207 266 L C 2.670 179.660 176.870 0.199 0.000 1.078 266 L CA 1.400 56.374 54.840 0.224 0.000 0.749 266 L CB -1.290 40.872 42.059 0.173 0.000 0.901 266 L HN 0.242 nan 8.230 nan 0.000 0.433 267 V N -0.355 119.613 119.914 0.090 0.000 2.343 267 V HA -0.261 3.859 4.120 -0.001 0.000 0.247 267 V C 2.527 178.651 176.094 0.050 0.000 1.051 267 V CA 0.958 63.300 62.300 0.070 0.000 1.036 267 V CB -0.368 31.474 31.823 0.033 0.000 0.654 267 V HN 0.212 nan 8.190 nan 0.000 0.451 268 I N -0.196 120.319 120.570 -0.091 0.000 2.163 268 I HA -0.231 3.939 4.170 -0.001 0.000 0.243 268 I C 2.458 178.528 176.117 -0.079 0.000 1.085 268 I CA 1.608 62.744 61.300 -0.273 0.000 1.347 268 I CB -1.620 36.027 38.000 -0.589 0.000 1.044 268 I HN 0.396 nan 8.210 nan 0.000 0.408 269 H N -0.790 118.338 119.070 0.097 0.000 2.387 269 H HA -0.163 4.393 4.556 -0.001 0.000 0.299 269 H C 2.178 177.770 175.328 0.440 0.000 1.090 269 H CA 1.723 57.903 56.048 0.220 0.000 1.332 269 H CB -0.211 29.669 29.762 0.197 0.000 1.386 269 H HN 0.217 nan 8.280 nan 0.000 0.516 270 M N -0.004 119.898 119.600 0.503 0.000 2.099 270 M HA -0.166 4.314 4.480 -0.001 0.000 0.262 270 M C 2.174 178.570 176.300 0.160 0.000 1.067 270 M CA 1.389 56.818 55.300 0.214 0.000 1.124 270 M CB -0.799 31.779 32.600 -0.037 0.000 1.353 270 M HN 0.167 nan 8.290 nan 0.000 0.410 271 Y N 0.759 121.089 120.300 0.050 0.000 2.097 271 Y HA -0.307 4.243 4.550 -0.001 0.000 0.282 271 Y C 1.898 177.845 175.900 0.079 0.000 1.152 271 Y CA 2.432 60.552 58.100 0.033 0.000 1.136 271 Y CB -0.421 38.045 38.460 0.010 0.000 0.975 271 Y HN 0.308 nan 8.280 nan 0.000 0.498 272 D N -0.516 120.098 120.400 0.358 0.000 2.117 272 D HA -0.149 4.490 4.640 -0.001 0.000 0.197 272 D C 2.344 178.765 176.300 0.202 0.000 0.987 272 D CA 1.494 55.661 54.000 0.280 0.000 0.829 272 D CB -0.978 39.993 40.800 0.285 0.000 0.961 272 D HN 0.542 nan 8.370 nan 0.000 0.460 273 G N 0.783 109.757 108.800 0.291 0.000 2.446 273 G HA2 -0.231 3.728 3.960 -0.001 0.000 0.217 273 G HA3 -0.231 3.728 3.960 -0.001 0.000 0.217 273 G C 1.785 176.793 174.900 0.181 0.000 1.168 273 G CA 0.548 45.848 45.100 0.333 0.000 0.771 273 G HN 0.262 nan 8.290 nan 0.000 0.551 274 L N -0.175 121.093 121.223 0.075 0.000 2.012 274 L HA -0.040 4.299 4.340 -0.001 0.000 0.210 274 L C 2.943 179.789 176.870 -0.041 0.000 1.073 274 L CA 0.656 55.481 54.840 -0.025 0.000 0.748 274 L CB -0.413 41.578 42.059 -0.114 0.000 0.891 274 L HN 0.178 nan 8.230 nan 0.000 0.431 275 L N -0.810 120.372 121.223 -0.069 0.000 2.046 275 L HA -0.254 4.086 4.340 -0.001 0.000 0.208 275 L C 2.738 179.603 176.870 -0.008 0.000 1.077 275 L CA 1.251 56.050 54.840 -0.067 0.000 0.747 275 L CB -0.427 41.581 42.059 -0.086 0.000 0.896 275 L HN 0.366 nan 8.230 nan 0.000 0.432 276 Q N -0.071 119.749 119.800 0.034 0.000 2.061 276 Q HA -0.255 4.084 4.340 -0.001 0.000 0.204 276 Q C 2.340 178.359 176.000 0.032 0.000 0.984 276 Q CA 1.851 57.680 55.803 0.043 0.000 0.846 276 Q CB -0.060 28.722 28.738 0.073 0.000 0.902 276 Q HN 0.449 nan 8.270 nan 0.000 0.421 277 M N -0.815 118.810 119.600 0.042 0.000 2.213 277 M HA -0.108 4.371 4.480 -0.001 0.000 0.263 277 M C 2.050 178.352 176.300 0.004 0.000 1.062 277 M CA 1.409 56.726 55.300 0.028 0.000 1.105 277 M CB -0.244 32.380 32.600 0.041 0.000 1.385 277 M HN 0.369 nan 8.290 nan 0.000 0.417 278 G N -0.211 108.584 108.800 -0.009 0.000 2.443 278 G HA2 -0.047 3.913 3.960 -0.001 0.000 0.219 278 G HA3 -0.047 3.913 3.960 -0.001 0.000 0.219 278 G C 1.616 176.506 174.900 -0.017 0.000 1.131 278 G CA 0.760 45.847 45.100 -0.021 0.000 0.775 278 G HN 0.537 nan 8.290 nan 0.000 0.547 279 A N 0.401 123.214 122.820 -0.011 0.000 2.019 279 A HA 0.025 4.344 4.320 -0.001 0.000 0.219 279 A C 2.257 179.837 177.584 -0.007 0.000 1.164 279 A CA 1.771 53.803 52.037 -0.009 0.000 0.644 279 A CB -0.284 18.714 19.000 -0.003 0.000 0.805 279 A HN 0.397 nan 8.150 nan 0.000 0.449 280 R N -0.958 119.540 120.500 -0.004 0.000 2.105 280 R HA 0.224 4.564 4.340 -0.001 0.000 0.214 280 R C 1.754 178.049 176.300 -0.009 0.000 1.091 280 R CA 0.598 56.695 56.100 -0.005 0.000 1.007 280 R CB -0.173 30.126 30.300 -0.000 0.000 0.912 280 R HN 0.454 nan 8.270 nan 0.000 0.450 281 L N 0.302 121.519 121.223 -0.011 0.000 2.127 281 L HA 0.036 4.376 4.340 -0.001 0.000 0.203 281 L C 0.917 177.778 176.870 -0.015 0.000 1.080 281 L CA 0.396 55.227 54.840 -0.015 0.000 0.768 281 L CB 0.292 42.341 42.059 -0.017 0.000 0.924 281 L HN 0.381 nan 8.230 nan 0.000 0.444 282 C N -3.578 115.712 119.300 -0.016 0.000 3.414 282 C HA 0.447 4.907 4.460 -0.001 0.000 0.208 282 C C -1.339 173.641 174.990 -0.015 0.000 1.422 282 C CA -1.877 57.132 59.018 -0.016 0.000 1.437 282 C CB -0.433 27.297 27.740 -0.017 0.000 1.850 282 C HN 0.070 nan 8.230 nan 0.000 0.481 283 P HA -0.174 nan 4.420 nan 0.000 0.217 283 P C 1.715 179.008 177.300 -0.013 0.000 1.148 283 P CA 2.650 65.743 63.100 -0.012 0.000 0.834 283 P CB 0.084 31.778 31.700 -0.010 0.000 0.783 284 T N -5.745 108.802 114.554 -0.012 0.000 3.022 284 T HA 0.148 4.497 4.350 -0.001 0.000 0.250 284 T C 0.608 175.300 174.700 -0.013 0.000 1.060 284 T CA -0.123 61.971 62.100 -0.011 0.000 1.013 284 T CB -0.611 68.251 68.868 -0.009 0.000 0.982 284 T HN -0.215 nan 8.240 nan 0.000 0.508 285 V N 3.309 123.214 119.914 -0.015 0.000 2.488 285 V HA 0.217 4.337 4.120 -0.001 0.000 0.277 285 V C 0.230 176.311 176.094 -0.021 0.000 1.046 285 V CA -0.556 61.735 62.300 -0.016 0.000 0.986 285 V CB 1.033 32.846 31.823 -0.017 0.000 0.989 285 V HN 0.434 nan 8.190 nan 0.000 0.475 286 Q N 5.175 124.964 119.800 -0.018 0.000 2.844 286 Q HA 0.265 4.605 4.340 -0.001 0.000 0.235 286 Q C 1.038 177.023 176.000 -0.025 0.000 1.336 286 Q CA -0.123 55.666 55.803 -0.024 0.000 1.026 286 Q CB 0.697 29.424 28.738 -0.018 0.000 1.513 286 Q HN 0.715 nan 8.270 nan 0.000 0.577 287 L N 0.198 121.396 121.223 -0.041 0.000 2.079 287 L HA -0.226 4.114 4.340 -0.001 0.000 0.210 287 L C 1.738 178.574 176.870 -0.057 0.000 1.081 287 L CA 1.437 56.247 54.840 -0.051 0.000 0.752 287 L CB -0.135 41.873 42.059 -0.086 0.000 0.896 287 L HN 0.469 nan 8.230 nan 0.000 0.433 288 E N -0.424 119.739 120.200 -0.062 0.000 2.478 288 E HA -0.125 4.225 4.350 -0.001 0.000 0.198 288 E C 1.412 178.000 176.600 -0.021 0.000 1.046 288 E CA 0.242 56.615 56.400 -0.046 0.000 0.870 288 E CB 0.161 29.849 29.700 -0.020 0.000 0.818 288 E HN 0.384 nan 8.360 nan 0.000 0.527 289 E N 0.137 120.334 120.200 -0.006 0.000 2.474 289 E HA 0.093 4.442 4.350 -0.001 0.000 0.195 289 E C 0.284 176.915 176.600 0.053 0.000 1.039 289 E CA -0.009 56.403 56.400 0.019 0.000 0.881 289 E CB 0.376 30.083 29.700 0.012 0.000 0.970 289 E HN 0.285 nan 8.360 nan 0.000 0.486 290 I N 2.458 123.069 120.570 0.068 0.000 2.452 290 I HA -0.034 4.136 4.170 -0.001 0.000 0.287 290 I C 0.669 176.925 176.117 0.232 0.000 1.079 290 I CA -0.035 61.340 61.300 0.126 0.000 1.387 290 I CB 0.549 38.629 38.000 0.133 0.000 1.404 290 I HN -0.136 nan 8.210 nan 0.000 0.522 291 S N 5.125 120.930 115.700 0.175 0.000 2.565 291 S HA 0.418 4.888 4.470 -0.001 0.000 0.290 291 S C -0.006 174.637 174.600 0.071 0.000 1.150 291 S CA -1.084 57.227 58.200 0.185 0.000 1.058 291 S CB 1.416 64.694 63.200 0.131 0.000 1.032 291 S HN 0.523 nan 8.310 nan 0.000 0.510 292 N N 1.163 119.842 118.700 -0.036 0.000 2.206 292 N HA -0.037 4.702 4.740 -0.001 0.000 0.226 292 N C 1.241 176.778 175.510 0.044 0.000 1.272 292 N CA 0.427 53.391 53.050 -0.144 0.000 0.863 292 N CB -0.176 38.246 38.487 -0.108 0.000 1.092 292 N HN 0.807 nan 8.380 nan 0.000 0.440 293 H N 0.092 119.117 119.070 -0.073 0.000 2.489 293 H HA -0.074 4.482 4.556 -0.001 0.000 0.293 293 H C 0.587 175.898 175.328 -0.028 0.000 1.066 293 H CA 0.663 56.686 56.048 -0.042 0.000 1.305 293 H CB 0.412 30.148 29.762 -0.044 0.000 1.386 293 H HN 0.510 nan 8.280 nan 0.000 0.551 294 Q N -0.100 119.752 119.800 0.087 0.000 2.280 294 Q HA 0.117 4.457 4.340 -0.001 0.000 0.202 294 Q C 0.973 177.005 176.000 0.053 0.000 0.903 294 Q CA 0.278 56.113 55.803 0.052 0.000 0.948 294 Q CB 1.129 29.885 28.738 0.031 0.000 1.058 294 Q HN 0.587 nan 8.270 nan 0.000 0.493 295 G N 1.341 110.179 108.800 0.063 0.000 2.147 295 G HA2 -0.268 3.692 3.960 -0.001 0.000 0.244 295 G HA3 -0.268 3.692 3.960 -0.001 0.000 0.244 295 G C -0.147 174.804 174.900 0.084 0.000 1.005 295 G CA -0.058 45.082 45.100 0.067 0.000 0.713 295 G HN 0.280 nan 8.290 nan 0.000 0.515 296 L N 1.802 123.084 121.223 0.098 0.000 2.287 296 L HA 0.545 4.885 4.340 -0.001 0.000 0.287 296 L C 1.297 178.320 176.870 0.255 0.000 1.022 296 L CA -0.512 54.415 54.840 0.146 0.000 0.814 296 L CB 1.446 43.589 42.059 0.139 0.000 1.217 296 L HN 0.328 nan 8.230 nan 0.000 0.420 297 T N -0.267 114.417 114.554 0.218 0.000 2.748 297 T HA 0.166 4.515 4.350 -0.001 0.000 0.304 297 T C -1.839 172.945 174.700 0.139 0.000 1.041 297 T CA -1.312 60.912 62.100 0.206 0.000 1.033 297 T CB 0.666 69.591 68.868 0.095 0.000 0.995 297 T HN 0.324 nan 8.240 nan 0.000 0.536 298 P HA -0.059 nan 4.420 nan 0.000 0.215 298 P C 1.902 179.231 177.300 0.048 0.000 1.153 298 P CA 0.582 63.629 63.100 -0.088 0.000 0.853 298 P CB -0.062 31.586 31.700 -0.088 0.000 0.788 299 L N -0.255 120.983 121.223 0.026 0.000 1.956 299 L HA -0.247 4.092 4.340 -0.001 0.000 0.216 299 L C 2.188 179.176 176.870 0.197 0.000 1.073 299 L CA 2.153 57.000 54.840 0.011 0.000 0.762 299 L CB -0.614 41.403 42.059 -0.070 0.000 0.889 299 L HN -0.031 nan 8.230 nan 0.000 0.433 300 K N -0.603 119.906 120.400 0.182 0.000 2.152 300 K HA -0.243 4.076 4.320 -0.001 0.000 0.206 300 K C 1.870 178.579 176.600 0.183 0.000 1.048 300 K CA 1.296 57.705 56.287 0.203 0.000 0.933 300 K CB -0.228 32.363 32.500 0.152 0.000 0.721 300 K HN 0.164 nan 8.250 nan 0.000 0.447 301 L N 0.847 122.178 121.223 0.181 0.000 2.093 301 L HA -0.076 4.264 4.340 -0.001 0.000 0.208 301 L C 2.149 179.114 176.870 0.158 0.000 1.085 301 L CA 1.636 56.579 54.840 0.171 0.000 0.755 301 L CB -0.615 41.581 42.059 0.229 0.000 0.904 301 L HN 0.099 nan 8.230 nan 0.000 0.435 302 A N -0.229 122.704 122.820 0.187 0.000 1.883 302 A HA -0.163 4.156 4.320 -0.001 0.000 0.217 302 A C 2.482 180.176 177.584 0.183 0.000 1.186 302 A CA 2.048 54.205 52.037 0.201 0.000 0.624 302 A CB -1.276 17.869 19.000 0.242 0.000 0.822 302 A HN 0.582 nan 8.150 nan 0.000 0.444 303 A N -0.380 122.571 122.820 0.219 0.000 1.883 303 A HA -0.213 4.107 4.320 -0.001 0.000 0.217 303 A C 2.175 179.745 177.584 -0.023 0.000 1.186 303 A CA 2.069 54.079 52.037 -0.046 0.000 0.624 303 A CB -0.527 18.428 19.000 -0.075 0.000 0.822 303 A HN 0.522 nan 8.150 nan 0.000 0.444 304 K N -0.643 119.781 120.400 0.040 0.000 2.103 304 K HA -0.169 4.151 4.320 -0.001 0.000 0.207 304 K C 1.182 177.796 176.600 0.023 0.000 1.048 304 K CA 1.566 57.870 56.287 0.029 0.000 0.930 304 K CB -0.069 32.461 32.500 0.050 0.000 0.716 304 K HN 0.386 nan 8.250 nan 0.000 0.444 305 E N -0.797 119.427 120.200 0.041 0.000 2.489 305 E HA 0.027 4.377 4.350 -0.001 0.000 0.193 305 E C 0.800 177.415 176.600 0.025 0.000 1.057 305 E CA 0.675 57.099 56.400 0.040 0.000 0.866 305 E CB 0.572 30.311 29.700 0.065 0.000 0.916 305 E HN 0.563 nan 8.360 nan 0.000 0.500 306 G N 2.372 111.175 108.800 0.005 0.000 2.147 306 G HA2 -0.253 3.707 3.960 -0.001 0.000 0.244 306 G HA3 -0.253 3.707 3.960 -0.001 0.000 0.244 306 G C 0.135 175.039 174.900 0.006 0.000 1.005 306 G CA 0.029 45.122 45.100 -0.011 0.000 0.713 306 G HN 0.051 nan 8.290 nan 0.000 0.515 307 K N 1.513 121.933 120.400 0.032 0.000 2.333 307 K HA 0.295 4.615 4.320 -0.001 0.000 0.241 307 K C 2.017 178.666 176.600 0.083 0.000 1.193 307 K CA -0.603 55.717 56.287 0.055 0.000 1.142 307 K CB 0.109 32.651 32.500 0.070 0.000 1.731 307 K HN 0.368 nan 8.250 nan 0.000 0.344 308 I N -0.020 120.581 120.570 0.052 0.000 2.118 308 I HA -0.291 3.878 4.170 -0.001 0.000 0.241 308 I C 1.633 177.829 176.117 0.131 0.000 1.070 308 I CA 1.434 62.778 61.300 0.074 0.000 1.327 308 I CB -0.732 37.289 38.000 0.034 0.000 1.034 308 I HN 0.328 nan 8.210 nan 0.000 0.405 309 E N 0.851 121.097 120.200 0.078 0.000 2.072 309 E HA -0.110 4.240 4.350 -0.001 0.000 0.191 309 E C 2.423 179.056 176.600 0.055 0.000 0.985 309 E CA 0.759 57.195 56.400 0.060 0.000 0.801 309 E CB -0.254 29.459 29.700 0.021 0.000 0.750 309 E HN 0.423 nan 8.360 nan 0.000 0.452 310 I N 0.690 121.279 120.570 0.031 0.000 2.226 310 I HA -0.236 3.934 4.170 -0.001 0.000 0.245 310 I C 2.259 178.382 176.117 0.010 0.000 1.100 310 I CA 0.885 62.168 61.300 -0.028 0.000 1.374 310 I CB -0.541 37.427 38.000 -0.054 0.000 1.057 310 I HN 0.004 nan 8.210 nan 0.000 0.413 311 F N 2.569 122.496 119.950 -0.037 0.000 2.095 311 F HA -0.309 4.217 4.527 -0.001 0.000 0.298 311 F C 2.710 178.503 175.800 -0.012 0.000 1.104 311 F CA 2.348 60.334 58.000 -0.023 0.000 1.232 311 F CB -0.333 38.666 39.000 -0.001 0.000 0.987 311 F HN 0.089 nan 8.300 nan 0.000 0.475 312 R N -1.090 119.526 120.500 0.194 0.000 2.115 312 R HA -0.164 4.175 4.340 -0.001 0.000 0.226 312 R C 2.109 178.387 176.300 -0.036 0.000 1.100 312 R CA 1.867 58.025 56.100 0.097 0.000 0.980 312 R CB -1.371 29.030 30.300 0.170 0.000 0.875 312 R HN 0.482 nan 8.270 nan 0.000 0.445 313 H N 0.958 119.965 119.070 -0.105 0.000 2.321 313 H HA 0.019 4.575 4.556 -0.001 0.000 0.300 313 H C 1.828 177.031 175.328 -0.207 0.000 1.087 313 H CA 2.277 58.239 56.048 -0.144 0.000 1.319 313 H CB -0.037 29.627 29.762 -0.164 0.000 1.379 313 H HN 0.191 nan 8.280 nan 0.000 0.501 314 I N 0.081 120.490 120.570 -0.268 0.000 2.335 314 I HA -0.257 3.912 4.170 -0.001 0.000 0.251 314 I C 2.290 178.194 176.117 -0.354 0.000 1.129 314 I CA 0.882 61.987 61.300 -0.325 0.000 1.402 314 I CB -0.194 37.620 38.000 -0.310 0.000 1.069 314 I HN 0.346 nan 8.210 nan 0.000 0.424 315 L N 0.365 121.356 121.223 -0.387 0.000 2.044 315 L HA -0.223 4.117 4.340 -0.001 0.000 0.205 315 L C 2.733 179.482 176.870 -0.203 0.000 1.075 315 L CA 1.357 56.022 54.840 -0.292 0.000 0.747 315 L CB -0.354 41.564 42.059 -0.235 0.000 0.903 315 L HN 0.358 nan 8.230 nan 0.000 0.435 316 Q N -0.421 119.264 119.800 -0.192 0.000 2.291 316 Q HA -0.187 4.153 4.340 -0.001 0.000 0.205 316 Q C 1.950 177.818 176.000 -0.219 0.000 0.970 316 Q CA 1.152 56.868 55.803 -0.144 0.000 0.876 316 Q CB -0.392 28.277 28.738 -0.116 0.000 0.935 316 Q HN 0.297 nan 8.270 nan 0.000 0.455 317 R N 0.896 121.200 120.500 -0.328 0.000 2.080 317 R HA -0.151 4.189 4.340 -0.001 0.000 0.236 317 R C 2.238 178.362 176.300 -0.293 0.000 1.137 317 R CA 1.874 57.809 56.100 -0.276 0.000 0.943 317 R CB -0.325 29.833 30.300 -0.237 0.000 0.846 317 R HN 0.541 nan 8.270 nan 0.000 0.431 318 E N -0.429 119.488 120.200 -0.471 0.000 2.058 318 E HA -0.130 4.220 4.350 -0.001 0.000 0.194 318 E C 0.416 176.569 176.600 -0.745 0.000 0.997 318 E CA 1.159 57.056 56.400 -0.838 0.000 0.801 318 E CB 0.032 28.770 29.700 -1.604 0.000 0.746 318 E HN 0.159 nan 8.360 nan 0.000 0.450 319 F N 0.000 119.908 119.950 -0.071 0.000 2.286 319 F HA 0.000 4.527 4.527 -0.001 0.000 0.279 319 F CA 0.000 57.969 58.000 -0.051 0.000 1.383 319 F CB 0.000 38.973 39.000 -0.045 0.000 1.145 319 F HN 0.000 nan 8.300 nan 0.000 0.574