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 1fqv_1_M DATA FIRST_RESID 107 DATA SEQUENCE VSWDSLPDEL LLGIFSCLCL PELLKVSGVC KRWYRLASDE SLWQTLDLTG DATA SEQUENCE KNLHPDVTGR LLSQGVIAFR CPRSFMDQPL AEHFSPFRVQ HMDLSNSVIE DATA SEQUENCE VSTLHGILSQ CSKLQNLSLE GLRLSDPIVN TLAKNSNLVR LNLSGCSGFS DATA SEQUENCE EFALQTLLSS CSRLDELNLS WCFDFTEKHV QVAVAHVSET ITQLNLSGYR DATA SEQUENCE KNLQKSDLST LVRRCPNLVH LDLSDSVMLK NDCFQEFFQL NYLQHLSLSR DATA SEQUENCE CYDIIPETLL ELGEIPTLKT LQVFGIVPDG TLQLLKEALP HLQINCSHFT DATA SEQUENCE TIARPTIGNK KNQEIWGIKC RLTLQ 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 107 V HA 0.000 nan 4.120 nan 0.000 0.244 107 V C 0.000 176.142 176.094 0.080 0.000 1.182 107 V CA 0.000 62.311 62.300 0.018 0.000 1.235 107 V CB 0.000 31.786 31.823 -0.062 0.000 1.184 108 S N 0.256 115.991 115.700 0.058 0.000 2.549 108 S HA 0.516 4.986 4.470 -0.000 0.000 0.297 108 S C -0.494 174.192 174.600 0.143 0.000 1.115 108 S CA -0.401 57.895 58.200 0.161 0.000 1.059 108 S CB 1.555 64.823 63.200 0.114 0.000 1.046 108 S HN 0.774 nan 8.310 nan 0.000 0.506 109 W N 0.549 121.906 121.300 0.095 0.000 3.114 109 W HA 0.200 4.860 4.660 -0.001 0.000 0.279 109 W C 1.515 178.133 176.519 0.165 0.000 1.277 109 W CA -0.426 56.999 57.345 0.134 0.000 1.630 109 W CB -0.135 29.444 29.460 0.198 0.000 1.087 109 W HN 0.640 nan 8.180 nan 0.000 0.637 110 D N -0.007 120.604 120.400 0.352 0.000 2.403 110 D HA -0.114 4.525 4.640 -0.000 0.000 0.227 110 D C 1.777 178.186 176.300 0.181 0.000 0.995 110 D CA 1.318 55.492 54.000 0.290 0.000 0.928 110 D CB -0.066 40.852 40.800 0.196 0.000 0.887 110 D HN 0.114 nan 8.370 nan 0.000 0.529 111 S N -0.845 114.932 115.700 0.129 0.000 2.605 111 S HA 0.105 4.575 4.470 -0.000 0.000 0.217 111 S C 0.564 175.187 174.600 0.037 0.000 0.958 111 S CA -0.697 57.537 58.200 0.057 0.000 0.919 111 S CB 0.072 63.279 63.200 0.011 0.000 0.780 111 S HN 0.106 nan 8.310 nan 0.000 0.507 112 L N 2.917 124.188 121.223 0.080 0.000 2.349 112 L HA 0.530 4.870 4.340 -0.000 0.000 0.275 112 L C -2.600 174.287 176.870 0.027 0.000 1.115 112 L CA -1.983 52.887 54.840 0.051 0.000 0.820 112 L CB 0.187 42.324 42.059 0.129 0.000 1.135 112 L HN -0.056 nan 8.230 nan 0.000 0.445 113 P HA -0.004 nan 4.420 nan 0.000 0.267 113 P C -0.222 177.054 177.300 -0.040 0.000 1.195 113 P CA 0.154 63.245 63.100 -0.015 0.000 0.773 113 P CB 0.537 32.224 31.700 -0.021 0.000 0.837 114 D N 0.962 121.340 120.400 -0.036 0.000 2.178 114 D HA -0.155 4.485 4.640 -0.000 0.000 0.201 114 D C 1.427 177.668 176.300 -0.098 0.000 0.980 114 D CA 1.378 55.340 54.000 -0.063 0.000 0.842 114 D CB -0.047 40.737 40.800 -0.027 0.000 0.948 114 D HN 0.422 nan 8.370 nan 0.000 0.472 115 E N -0.393 119.766 120.200 -0.068 0.000 2.150 115 E HA -0.043 4.307 4.350 -0.000 0.000 0.193 115 E C 2.039 178.583 176.600 -0.092 0.000 0.985 115 E CA 0.429 56.788 56.400 -0.067 0.000 0.814 115 E CB -0.092 29.585 29.700 -0.040 0.000 0.752 115 E HN 0.344 nan 8.360 nan 0.000 0.466 116 L N -0.320 120.846 121.223 -0.095 0.000 2.209 116 L HA 0.004 4.344 4.340 -0.000 0.000 0.207 116 L C 2.167 178.924 176.870 -0.188 0.000 1.094 116 L CA 0.440 55.222 54.840 -0.095 0.000 0.790 116 L CB -0.252 41.782 42.059 -0.042 0.000 0.932 116 L HN 0.140 nan 8.230 nan 0.000 0.447 117 L N -0.233 120.804 121.223 -0.311 0.000 2.046 117 L HA -0.223 4.116 4.340 -0.000 0.000 0.208 117 L C 2.532 178.903 176.870 -0.832 0.000 1.077 117 L CA 1.203 55.635 54.840 -0.680 0.000 0.747 117 L CB -0.338 41.190 42.059 -0.885 0.000 0.896 117 L HN 0.285 nan 8.230 nan 0.000 0.432 118 L N -0.690 120.229 121.223 -0.505 0.000 2.079 118 L HA -0.175 4.165 4.340 -0.000 0.000 0.210 118 L C 2.643 179.420 176.870 -0.155 0.000 1.081 118 L CA 1.399 56.066 54.840 -0.288 0.000 0.752 118 L CB -1.229 40.747 42.059 -0.138 0.000 0.896 118 L HN 0.341 nan 8.230 nan 0.000 0.433 119 G N 0.643 109.356 108.800 -0.145 0.000 2.459 119 G HA2 -0.247 3.712 3.960 -0.000 0.000 0.217 119 G HA3 -0.247 3.712 3.960 -0.000 0.000 0.217 119 G C 1.549 176.417 174.900 -0.055 0.000 1.183 119 G CA 0.859 45.914 45.100 -0.076 0.000 0.776 119 G HN 0.307 nan 8.290 nan 0.000 0.552 120 I N -0.169 120.348 120.570 -0.090 0.000 2.264 120 I HA -0.145 4.025 4.170 -0.000 0.000 0.248 120 I C 2.557 178.741 176.117 0.113 0.000 1.111 120 I CA 1.000 62.287 61.300 -0.022 0.000 1.382 120 I CB -0.343 37.613 38.000 -0.073 0.000 1.060 120 I HN 0.161 nan 8.210 nan 0.000 0.418 121 F N 0.925 120.762 119.950 -0.189 0.000 2.234 121 F HA -0.186 4.341 4.527 -0.001 0.000 0.299 121 F C 2.895 178.606 175.800 -0.149 0.000 1.087 121 F CA 0.790 58.678 58.000 -0.186 0.000 1.340 121 F CB -0.278 38.603 39.000 -0.198 0.000 1.031 121 F HN 0.192 nan 8.300 nan 0.000 0.500 122 S N -0.919 114.822 115.700 0.067 0.000 2.442 122 S HA -0.179 4.291 4.470 -0.000 0.000 0.236 122 S C 1.518 176.096 174.600 -0.036 0.000 1.007 122 S CA 0.938 59.129 58.200 -0.016 0.000 0.965 122 S CB -1.177 62.008 63.200 -0.025 0.000 0.773 122 S HN 0.398 nan 8.310 nan 0.000 0.504 123 C N 1.445 120.736 119.300 -0.015 0.000 2.626 123 C HA 0.470 4.930 4.460 -0.000 0.000 0.266 123 C C 0.793 175.758 174.990 -0.042 0.000 1.317 123 C CA -0.731 58.271 59.018 -0.026 0.000 1.716 123 C CB -1.652 26.080 27.740 -0.012 0.000 1.819 123 C HN 0.538 nan 8.230 nan 0.000 0.578 124 L N 1.165 122.352 121.223 -0.060 0.000 2.322 124 L HA 0.394 4.733 4.340 -0.000 0.000 0.279 124 L C 0.603 177.400 176.870 -0.121 0.000 1.036 124 L CA -0.458 54.327 54.840 -0.092 0.000 0.807 124 L CB 0.625 42.605 42.059 -0.132 0.000 1.226 124 L HN 0.332 nan 8.230 nan 0.000 0.433 125 C N 1.172 120.408 119.300 -0.107 0.000 2.520 125 C HA 0.243 4.703 4.460 -0.000 0.000 0.376 125 C C 1.855 176.762 174.990 -0.138 0.000 1.268 125 C CA -0.926 58.023 59.018 -0.115 0.000 2.414 125 C CB 0.626 28.318 27.740 -0.081 0.000 2.521 125 C HN 0.909 nan 8.230 nan 0.000 0.618 126 L N 2.907 124.036 121.223 -0.156 0.000 2.026 126 L HA -0.131 4.209 4.340 -0.000 0.000 0.231 126 L C -0.047 176.771 176.870 -0.087 0.000 1.095 126 L CA 3.166 57.910 54.840 -0.160 0.000 0.810 126 L CB -1.676 40.316 42.059 -0.112 0.000 0.909 126 L HN 0.744 nan 8.230 nan 0.000 0.444 127 P HA -0.186 nan 4.420 nan 0.000 0.216 127 P C 1.261 178.537 177.300 -0.040 0.000 1.150 127 P CA 1.614 64.699 63.100 -0.026 0.000 0.837 127 P CB 0.044 31.732 31.700 -0.020 0.000 0.786 128 E N -0.204 119.957 120.200 -0.066 0.000 2.072 128 E HA -0.116 4.234 4.350 -0.000 0.000 0.191 128 E C 2.014 178.539 176.600 -0.125 0.000 0.985 128 E CA 0.551 56.903 56.400 -0.080 0.000 0.801 128 E CB -1.277 28.371 29.700 -0.086 0.000 0.750 128 E HN 0.083 nan 8.360 nan 0.000 0.452 129 L N 0.228 121.355 121.223 -0.160 0.000 2.042 129 L HA -0.122 4.218 4.340 -0.000 0.000 0.210 129 L C 1.860 178.655 176.870 -0.126 0.000 1.076 129 L CA 1.621 56.328 54.840 -0.223 0.000 0.749 129 L CB -0.366 41.559 42.059 -0.224 0.000 0.893 129 L HN 0.176 nan 8.230 nan 0.000 0.432 130 L N -0.686 120.520 121.223 -0.027 0.000 2.362 130 L HA -0.164 4.175 4.340 -0.000 0.000 0.219 130 L C 2.530 179.409 176.870 0.015 0.000 1.134 130 L CA 0.968 55.826 54.840 0.029 0.000 0.807 130 L CB -0.681 41.418 42.059 0.067 0.000 0.927 130 L HN 0.369 nan 8.230 nan 0.000 0.447 131 K N 0.940 121.333 120.400 -0.012 0.000 1.991 131 K HA -0.137 4.183 4.320 -0.000 0.000 0.207 131 K C 2.131 178.750 176.600 0.032 0.000 1.045 131 K CA 1.797 58.089 56.287 0.008 0.000 0.937 131 K CB -0.097 32.400 32.500 -0.004 0.000 0.720 131 K HN 0.223 nan 8.250 nan 0.000 0.438 132 V N 0.543 120.456 119.914 -0.002 0.000 2.469 132 V HA -0.223 3.897 4.120 -0.000 0.000 0.251 132 V C 2.219 178.431 176.094 0.196 0.000 1.064 132 V CA 2.325 64.695 62.300 0.116 0.000 1.066 132 V CB -1.267 30.458 31.823 -0.164 0.000 0.667 132 V HN 0.471 nan 8.190 nan 0.000 0.461 133 S N 1.243 116.981 115.700 0.064 0.000 2.465 133 S HA 0.014 4.484 4.470 -0.000 0.000 0.241 133 S C 1.681 176.464 174.600 0.305 0.000 1.000 133 S CA 1.231 59.522 58.200 0.152 0.000 0.964 133 S CB -0.830 62.373 63.200 0.005 0.000 0.763 133 S HN 0.993 nan 8.310 nan 0.000 0.512 134 G N 0.063 108.990 108.800 0.211 0.000 3.502 134 G HA2 0.422 4.382 3.960 -0.000 0.000 0.267 134 G HA3 0.422 4.382 3.960 -0.000 0.000 0.267 134 G C 0.823 175.773 174.900 0.083 0.000 1.090 134 G CA 0.127 45.328 45.100 0.169 0.000 0.795 134 G HN 0.396 nan 8.290 nan 0.000 0.535 135 V N 0.428 120.386 119.914 0.074 0.000 2.273 135 V HA 0.067 4.187 4.120 -0.000 0.000 0.242 135 V C 1.509 177.508 176.094 -0.158 0.000 1.035 135 V CA 1.387 63.608 62.300 -0.130 0.000 1.013 135 V CB -0.438 31.117 31.823 -0.447 0.000 0.652 135 V HN 0.670 nan 8.190 nan 0.000 0.452 136 C N -2.088 117.159 119.300 -0.090 0.000 3.241 136 C HA 0.486 4.945 4.460 -0.000 0.000 0.312 136 C C 1.194 176.259 174.990 0.125 0.000 1.350 136 C CA -1.202 57.789 59.018 -0.045 0.000 1.415 136 C CB 1.592 29.240 27.740 -0.153 0.000 1.770 136 C HN 0.364 nan 8.230 nan 0.000 0.466 137 K N 0.223 120.679 120.400 0.093 0.000 2.211 137 K HA -0.174 4.146 4.320 -0.000 0.000 0.204 137 K C 2.301 179.051 176.600 0.250 0.000 1.047 137 K CA 1.799 58.163 56.287 0.128 0.000 0.935 137 K CB -0.124 32.406 32.500 0.049 0.000 0.728 137 K HN 0.710 nan 8.250 nan 0.000 0.452 138 R N 0.179 120.842 120.500 0.270 0.000 2.062 138 R HA -0.148 4.191 4.340 -0.000 0.000 0.231 138 R C 1.816 178.411 176.300 0.493 0.000 1.136 138 R CA 1.514 57.816 56.100 0.338 0.000 0.948 138 R CB -0.183 30.323 30.300 0.342 0.000 0.845 138 R HN 0.201 nan 8.270 nan 0.000 0.430 139 W N 0.165 121.619 121.300 0.258 0.000 2.325 139 W HA -0.222 4.437 4.660 -0.001 0.000 0.299 139 W C 2.141 178.873 176.519 0.354 0.000 1.215 139 W CA 1.064 58.647 57.345 0.397 0.000 1.244 139 W CB -1.109 28.577 29.460 0.377 0.000 1.140 139 W HN 0.267 nan 8.180 nan 0.000 0.523 140 Y N 1.102 121.630 120.300 0.379 0.000 2.224 140 Y HA -0.215 4.335 4.550 -0.000 0.000 0.289 140 Y C 2.412 178.432 175.900 0.200 0.000 1.146 140 Y CA 2.036 60.276 58.100 0.233 0.000 1.182 140 Y CB -0.425 38.128 38.460 0.154 0.000 0.983 140 Y HN -0.134 nan 8.280 nan 0.000 0.524 141 R N -0.166 120.571 120.500 0.395 0.000 2.062 141 R HA -0.123 4.217 4.340 -0.000 0.000 0.231 141 R C 2.292 178.694 176.300 0.170 0.000 1.136 141 R CA 1.857 58.110 56.100 0.255 0.000 0.948 141 R CB -0.665 29.771 30.300 0.228 0.000 0.845 141 R HN 0.357 nan 8.270 nan 0.000 0.430 142 L N 0.479 121.835 121.223 0.222 0.000 2.046 142 L HA -0.105 4.234 4.340 -0.000 0.000 0.208 142 L C 2.554 179.614 176.870 0.316 0.000 1.077 142 L CA 1.075 56.037 54.840 0.204 0.000 0.747 142 L CB -0.635 41.475 42.059 0.085 0.000 0.896 142 L HN 0.256 nan 8.230 nan 0.000 0.432 143 A N -1.131 121.913 122.820 0.373 0.000 2.234 143 A HA -0.115 4.205 4.320 -0.000 0.000 0.216 143 A C 2.058 179.826 177.584 0.306 0.000 1.167 143 A CA 1.612 53.796 52.037 0.246 0.000 0.698 143 A CB -0.301 18.698 19.000 -0.003 0.000 0.779 143 A HN 0.391 nan 8.150 nan 0.000 0.475 144 S N -0.338 115.472 115.700 0.184 0.000 2.730 144 S HA 0.082 4.551 4.470 -0.000 0.000 0.244 144 S C 0.132 174.805 174.600 0.122 0.000 1.022 144 S CA -0.620 57.619 58.200 0.065 0.000 1.014 144 S CB -0.013 63.047 63.200 -0.234 0.000 0.963 144 S HN 0.676 nan 8.310 nan 0.000 0.540 145 D N 2.399 122.933 120.400 0.224 0.000 2.472 145 D HA -0.034 4.605 4.640 -0.000 0.000 0.237 145 D C 0.910 177.356 176.300 0.243 0.000 1.141 145 D CA 0.513 54.619 54.000 0.176 0.000 0.875 145 D CB 0.754 41.638 40.800 0.141 0.000 1.192 145 D HN 0.283 nan 8.370 nan 0.000 0.450 146 E N 1.083 121.375 120.200 0.153 0.000 2.160 146 E HA -0.187 4.163 4.350 -0.000 0.000 0.195 146 E C 1.974 178.672 176.600 0.164 0.000 0.991 146 E CA 1.265 57.761 56.400 0.160 0.000 0.810 146 E CB -0.006 29.752 29.700 0.095 0.000 0.742 146 E HN 0.564 nan 8.360 nan 0.000 0.466 147 S N 1.067 116.838 115.700 0.119 0.000 2.399 147 S HA -0.109 4.361 4.470 -0.000 0.000 0.231 147 S C 1.991 176.625 174.600 0.057 0.000 1.022 147 S CA 0.740 58.984 58.200 0.074 0.000 0.983 147 S CB -0.373 62.854 63.200 0.045 0.000 0.803 147 S HN 0.199 nan 8.310 nan 0.000 0.480 148 L N -1.769 119.507 121.223 0.087 0.000 2.492 148 L HA 0.197 4.537 4.340 -0.000 0.000 0.223 148 L C 1.104 177.783 176.870 -0.319 0.000 1.132 148 L CA 0.400 55.186 54.840 -0.089 0.000 0.850 148 L CB -0.320 41.696 42.059 -0.071 0.000 0.966 148 L HN 0.397 nan 8.230 nan 0.000 0.454 149 W N -0.678 120.619 121.300 -0.005 0.000 2.771 149 W HA 0.220 4.879 4.660 -0.000 0.000 0.412 149 W C 1.883 178.401 176.519 -0.001 0.000 0.965 149 W CA -0.516 56.821 57.345 -0.013 0.000 2.045 149 W CB -0.010 29.429 29.460 -0.035 0.000 1.176 149 W HN 0.024 nan 8.180 nan 0.000 0.634 150 Q N 0.290 120.168 119.800 0.131 0.000 2.096 150 Q HA -0.105 4.235 4.340 -0.000 0.000 0.204 150 Q C 0.944 177.009 176.000 0.109 0.000 0.982 150 Q CA 1.677 57.546 55.803 0.110 0.000 0.850 150 Q CB -0.227 28.552 28.738 0.068 0.000 0.901 150 Q HN 0.119 nan 8.270 nan 0.000 0.422 151 T N -1.142 113.454 114.554 0.069 0.000 2.809 151 T HA 0.579 4.928 4.350 -0.000 0.000 0.284 151 T C -0.952 173.790 174.700 0.070 0.000 0.992 151 T CA -0.866 61.279 62.100 0.075 0.000 0.957 151 T CB 1.461 70.345 68.868 0.027 0.000 0.942 151 T HN -0.012 nan 8.240 nan 0.000 0.439 152 L N 2.295 123.614 121.223 0.159 0.000 2.365 152 L HA 0.756 5.096 4.340 -0.000 0.000 0.273 152 L C -1.272 175.690 176.870 0.153 0.000 1.000 152 L CA -0.356 54.593 54.840 0.182 0.000 0.819 152 L CB 2.022 44.288 42.059 0.346 0.000 1.284 152 L HN 0.805 nan 8.230 nan 0.000 0.418 153 D N 5.264 125.704 120.400 0.067 0.000 2.420 153 D HA 0.313 4.952 4.640 -0.000 0.000 0.255 153 D C -1.414 174.884 176.300 -0.004 0.000 1.185 153 D CA -0.084 53.910 54.000 -0.010 0.000 0.904 153 D CB 0.612 41.389 40.800 -0.039 0.000 1.102 153 D HN 0.549 nan 8.370 nan 0.000 0.534 154 L N 3.809 125.018 121.223 -0.024 0.000 2.408 154 L HA 0.289 4.629 4.340 -0.000 0.000 0.257 154 L C 0.401 177.227 176.870 -0.073 0.000 1.053 154 L CA -0.604 54.241 54.840 0.009 0.000 0.922 154 L CB 1.228 43.363 42.059 0.127 0.000 1.261 154 L HN 0.258 nan 8.230 nan 0.000 0.458 155 T N -2.489 112.023 114.554 -0.070 0.000 2.867 155 T HA 0.568 4.917 4.350 -0.000 0.000 0.282 155 T C 1.109 175.791 174.700 -0.031 0.000 1.000 155 T CA 0.136 62.182 62.100 -0.090 0.000 1.042 155 T CB 1.907 70.710 68.868 -0.108 0.000 0.973 155 T HN 0.709 nan 8.240 nan 0.000 0.465 156 G N 1.431 110.215 108.800 -0.027 0.000 2.168 156 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.257 156 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.257 156 G C -0.047 174.952 174.900 0.166 0.000 0.997 156 G CA 0.615 45.760 45.100 0.075 0.000 0.708 156 G HN 1.000 nan 8.290 nan 0.000 0.520 157 K N 0.284 120.756 120.400 0.120 0.000 2.201 157 K HA 0.480 4.799 4.320 -0.000 0.000 0.278 157 K C 0.435 177.174 176.600 0.231 0.000 1.027 157 K CA -0.676 55.697 56.287 0.143 0.000 0.909 157 K CB 0.393 32.952 32.500 0.098 0.000 1.062 157 K HN 0.222 nan 8.250 nan 0.000 0.465 158 N N 3.298 122.131 118.700 0.221 0.000 2.530 158 N HA 0.348 5.088 4.740 -0.000 0.000 0.273 158 N C -1.554 174.056 175.510 0.167 0.000 1.173 158 N CA -0.197 52.993 53.050 0.234 0.000 0.967 158 N CB 0.392 38.927 38.487 0.080 0.000 1.109 158 N HN 0.417 nan 8.380 nan 0.000 0.453 159 L N 2.112 123.435 121.223 0.167 0.000 2.506 159 L HA 0.303 4.643 4.340 -0.000 0.000 0.257 159 L C -1.322 175.625 176.870 0.128 0.000 0.964 159 L CA -0.723 54.202 54.840 0.141 0.000 0.836 159 L CB 1.712 43.853 42.059 0.136 0.000 1.384 159 L HN 0.724 nan 8.230 nan 0.000 0.410 160 H N 4.909 124.022 119.070 0.072 0.000 2.502 160 H HA 0.375 4.931 4.556 -0.000 0.000 0.327 160 H C -1.993 173.371 175.328 0.060 0.000 1.099 160 H CA -1.796 54.295 56.048 0.072 0.000 1.323 160 H CB 2.084 31.887 29.762 0.068 0.000 1.450 160 H HN 0.437 nan 8.280 nan 0.000 0.502 161 P HA -0.189 nan 4.420 nan 0.000 0.217 161 P C 0.676 178.085 177.300 0.183 0.000 1.148 161 P CA 1.161 64.296 63.100 0.058 0.000 0.834 161 P CB 0.541 32.255 31.700 0.024 0.000 0.783 162 D N -0.436 120.297 120.400 0.555 0.000 2.178 162 D HA -0.082 4.558 4.640 -0.000 0.000 0.202 162 D C 2.105 178.386 176.300 -0.031 0.000 0.974 162 D CA 0.746 54.960 54.000 0.356 0.000 0.841 162 D CB -0.631 40.396 40.800 0.377 0.000 0.953 162 D HN 0.077 nan 8.370 nan 0.000 0.478 163 V N 1.271 121.212 119.914 0.044 0.000 2.379 163 V HA -0.208 3.912 4.120 -0.000 0.000 0.245 163 V C 2.793 178.767 176.094 -0.201 0.000 1.044 163 V CA 2.105 64.368 62.300 -0.062 0.000 1.036 163 V CB -0.952 30.888 31.823 0.028 0.000 0.664 163 V HN 0.366 nan 8.190 nan 0.000 0.453 164 T N -1.207 113.237 114.554 -0.182 0.000 2.788 164 T HA -0.090 4.260 4.350 -0.000 0.000 0.268 164 T C 1.933 176.276 174.700 -0.595 0.000 1.044 164 T CA 1.645 63.557 62.100 -0.313 0.000 1.139 164 T CB -0.693 68.085 68.868 -0.149 0.000 0.867 164 T HN 0.456 nan 8.240 nan 0.000 0.454 165 G N 0.996 109.376 108.800 -0.701 0.000 2.394 165 G HA2 -0.110 3.850 3.960 -0.000 0.000 0.215 165 G HA3 -0.110 3.850 3.960 -0.000 0.000 0.215 165 G C 1.759 176.103 174.900 -0.926 0.000 1.165 165 G CA 0.475 44.947 45.100 -1.046 0.000 0.784 165 G HN 0.538 nan 8.290 nan 0.000 0.535 166 R N -0.071 119.934 120.500 -0.825 0.000 2.096 166 R HA 0.076 4.416 4.340 -0.000 0.000 0.235 166 R C 2.420 178.470 176.300 -0.415 0.000 1.127 166 R CA 0.923 56.781 56.100 -0.403 0.000 0.968 166 R CB -0.271 29.894 30.300 -0.225 0.000 0.861 166 R HN 0.390 nan 8.270 nan 0.000 0.440 167 L N 0.310 121.236 121.223 -0.494 0.000 2.095 167 L HA -0.099 4.241 4.340 -0.000 0.000 0.204 167 L C 2.309 178.847 176.870 -0.552 0.000 1.080 167 L CA 0.757 55.271 54.840 -0.543 0.000 0.759 167 L CB -0.239 41.578 42.059 -0.404 0.000 0.914 167 L HN 0.233 nan 8.230 nan 0.000 0.439 168 L N -0.267 120.514 121.223 -0.735 0.000 2.275 168 L HA -0.127 4.213 4.340 -0.000 0.000 0.215 168 L C 2.663 179.253 176.870 -0.467 0.000 1.119 168 L CA 1.151 55.465 54.840 -0.878 0.000 0.790 168 L CB -0.474 40.557 42.059 -1.713 0.000 0.919 168 L HN 0.378 nan 8.230 nan 0.000 0.443 169 S N -1.142 114.425 115.700 -0.222 0.000 2.515 169 S HA -0.131 4.339 4.470 -0.000 0.000 0.231 169 S C 1.419 176.008 174.600 -0.018 0.000 0.987 169 S CA 0.257 58.535 58.200 0.130 0.000 0.936 169 S CB -0.193 63.117 63.200 0.182 0.000 0.766 169 S HN 0.528 nan 8.310 nan 0.000 0.528 170 Q N 1.414 121.108 119.800 -0.176 0.000 2.228 170 Q HA 0.337 4.677 4.340 -0.000 0.000 0.211 170 Q C 0.509 176.475 176.000 -0.057 0.000 0.890 170 Q CA -0.005 55.679 55.803 -0.197 0.000 0.953 170 Q CB -0.164 28.263 28.738 -0.518 0.000 1.053 170 Q HN 0.678 nan 8.270 nan 0.000 0.471 171 G N 0.925 109.725 108.800 0.000 0.000 2.438 171 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.272 171 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.272 171 G C -0.428 174.520 174.900 0.080 0.000 0.991 171 G CA -0.331 44.801 45.100 0.053 0.000 1.348 171 G HN 0.229 nan 8.290 nan 0.000 0.483 172 V N 3.327 123.268 119.914 0.046 0.000 2.384 172 V HA 0.440 4.560 4.120 -0.000 0.000 0.287 172 V C 1.471 177.620 176.094 0.093 0.000 1.020 172 V CA -0.477 61.871 62.300 0.079 0.000 0.850 172 V CB 1.513 33.330 31.823 -0.010 0.000 0.987 172 V HN 0.526 nan 8.190 nan 0.000 0.436 173 I N 3.250 123.902 120.570 0.137 0.000 2.494 173 I HA 0.227 4.397 4.170 -0.000 0.000 0.250 173 I C 1.248 177.524 176.117 0.266 0.000 1.112 173 I CA 0.765 62.174 61.300 0.180 0.000 1.438 173 I CB 0.155 38.258 38.000 0.170 0.000 1.111 173 I HN 0.627 nan 8.210 nan 0.000 0.431 174 A N 1.020 123.978 122.820 0.229 0.000 2.285 174 A HA 0.485 4.805 4.320 -0.000 0.000 0.310 174 A C -1.193 176.562 177.584 0.285 0.000 1.266 174 A CA -0.175 52.013 52.037 0.252 0.000 0.832 174 A CB 0.170 19.244 19.000 0.124 0.000 1.163 174 A HN 0.195 nan 8.150 nan 0.000 0.499 175 F N 3.404 123.421 119.950 0.111 0.000 2.325 175 F HA 0.510 5.037 4.527 -0.000 0.000 0.369 175 F C 0.290 176.123 175.800 0.056 0.000 1.095 175 F CA -0.996 57.040 58.000 0.060 0.000 1.082 175 F CB 0.984 39.995 39.000 0.018 0.000 1.289 175 F HN 0.600 nan 8.300 nan 0.000 0.462 176 R N 5.349 125.710 120.500 -0.233 0.000 2.207 176 R HA 0.494 4.834 4.340 -0.000 0.000 0.334 176 R C -0.927 175.032 176.300 -0.568 0.000 1.013 176 R CA -0.039 55.869 56.100 -0.320 0.000 0.858 176 R CB 0.615 30.819 30.300 -0.160 0.000 1.094 176 R HN 0.781 nan 8.270 nan 0.000 0.457 177 C N 7.781 126.726 119.300 -0.592 0.000 3.208 177 C HA 0.382 4.841 4.460 -0.000 0.000 0.250 177 C C -2.621 172.177 174.990 -0.319 0.000 2.195 177 C CA -1.464 57.228 59.018 -0.544 0.000 1.303 177 C CB 0.376 27.542 27.740 -0.957 0.000 2.376 177 C HN 0.709 nan 8.230 nan 0.000 0.545 178 P HA 0.279 nan 4.420 nan 0.000 0.276 178 P C -0.348 176.833 177.300 -0.198 0.000 1.244 178 P CA 0.665 63.644 63.100 -0.202 0.000 0.801 178 P CB 0.412 32.001 31.700 -0.184 0.000 1.006 179 R N -1.253 119.114 120.500 -0.221 0.000 3.422 179 R HA -0.108 4.231 4.340 -0.000 0.000 0.267 179 R C 0.456 176.521 176.300 -0.392 0.000 1.074 179 R CA 0.745 56.680 56.100 -0.276 0.000 0.718 179 R CB -2.409 27.804 30.300 -0.145 0.000 1.157 179 R HN 0.772 nan 8.270 nan 0.000 0.440 180 S N -0.813 114.619 115.700 -0.448 0.000 2.747 180 S HA 0.813 5.283 4.470 -0.000 0.000 0.300 180 S C -0.298 173.879 174.600 -0.704 0.000 1.121 180 S CA -0.879 57.101 58.200 -0.367 0.000 0.995 180 S CB 1.498 64.609 63.200 -0.150 0.000 1.113 180 S HN 0.175 nan 8.310 nan 0.000 0.547 181 F N 0.199 120.155 119.950 0.009 0.000 2.553 181 F HA 0.548 5.075 4.527 -0.001 0.000 0.335 181 F C -0.207 175.604 175.800 0.018 0.000 1.148 181 F CA -0.669 57.339 58.000 0.014 0.000 0.963 181 F CB 1.754 40.761 39.000 0.011 0.000 1.217 181 F HN 0.359 nan 8.300 nan 0.000 0.441 182 M N 4.732 124.407 119.600 0.125 0.000 2.031 182 M HA 0.271 4.750 4.480 -0.000 0.000 0.273 182 M C -1.105 175.228 176.300 0.055 0.000 0.904 182 M CA -0.338 55.004 55.300 0.070 0.000 0.963 182 M CB 1.502 34.130 32.600 0.048 0.000 1.707 182 M HN 0.526 nan 8.290 nan 0.000 0.427 183 D N 1.597 122.025 120.400 0.046 0.000 2.891 183 D HA 0.229 4.869 4.640 -0.000 0.000 0.332 183 D C -0.405 175.895 176.300 -0.000 0.000 1.369 183 D CA -0.151 53.874 54.000 0.042 0.000 0.827 183 D CB 0.893 41.742 40.800 0.081 0.000 1.141 183 D HN 0.484 nan 8.370 nan 0.000 0.464 184 Q N 0.624 120.381 119.800 -0.070 0.000 2.544 184 Q HA 0.396 4.736 4.340 -0.000 0.000 0.291 184 Q C -2.643 173.311 176.000 -0.078 0.000 1.068 184 Q CA -1.900 53.846 55.803 -0.096 0.000 0.785 184 Q CB 3.240 31.864 28.738 -0.188 0.000 1.481 184 Q HN 0.021 nan 8.270 nan 0.000 0.430 185 P HA -0.024 nan 4.420 nan 0.000 0.272 185 P C -0.450 176.911 177.300 0.102 0.000 1.248 185 P CA 0.276 63.412 63.100 0.060 0.000 0.799 185 P CB 0.552 32.304 31.700 0.086 0.000 0.997 186 L N -3.051 118.247 121.223 0.125 0.000 3.034 186 L HA -0.172 4.168 4.340 -0.000 0.000 0.710 186 L C 0.272 177.268 176.870 0.210 0.000 1.237 186 L CA -0.092 54.847 54.840 0.165 0.000 1.286 186 L CB -2.011 40.196 42.059 0.245 0.000 1.946 186 L HN 0.548 nan 8.230 nan 0.000 0.918 187 A N 1.460 124.363 122.820 0.140 0.000 2.618 187 A HA 0.458 4.778 4.320 -0.000 0.000 0.293 187 A C 1.321 179.011 177.584 0.177 0.000 1.413 187 A CA 0.961 53.090 52.037 0.154 0.000 1.074 187 A CB -0.200 18.889 19.000 0.148 0.000 1.087 187 A HN 0.926 nan 8.150 nan 0.000 0.553 188 E N 0.134 120.512 120.200 0.296 0.000 3.014 188 E HA 0.221 4.571 4.350 -0.000 0.000 0.293 188 E C 0.750 177.505 176.600 0.259 0.000 0.949 188 E CA 2.024 58.717 56.400 0.489 0.000 0.993 188 E CB -0.668 29.356 29.700 0.540 0.000 1.019 188 E HN 2.185 nan 8.360 nan 0.000 0.480 189 H N 0.006 119.227 119.070 0.253 0.000 3.826 189 H HA 0.411 4.966 4.556 -0.000 0.000 0.256 189 H C 0.679 175.979 175.328 -0.046 0.000 1.087 189 H CA -0.068 55.967 56.048 -0.022 0.000 1.166 189 H CB -0.550 29.134 29.762 -0.129 0.000 1.362 189 H HN 0.683 nan 8.280 nan 0.000 0.803 190 F N 2.452 122.367 119.950 -0.058 0.000 2.384 190 F HA 0.119 4.646 4.527 -0.000 0.000 0.281 190 F C 1.424 177.056 175.800 -0.281 0.000 0.890 190 F CA 1.395 59.360 58.000 -0.059 0.000 1.128 190 F CB 0.065 39.157 39.000 0.154 0.000 0.888 190 F HN 0.364 nan 8.300 nan 0.000 0.641 191 S N 2.518 118.189 115.700 -0.049 0.000 2.564 191 S HA 0.045 4.514 4.470 -0.000 0.000 0.263 191 S C -2.184 172.168 174.600 -0.414 0.000 1.378 191 S CA -0.877 57.225 58.200 -0.164 0.000 0.996 191 S CB -0.328 62.835 63.200 -0.062 0.000 0.881 191 S HN 0.325 nan 8.310 nan 0.000 0.555 192 P HA 0.097 nan 4.420 nan 0.000 0.265 192 P C -0.799 176.329 177.300 -0.287 0.000 1.187 192 P CA 0.481 63.376 63.100 -0.341 0.000 0.766 192 P CB 0.029 31.636 31.700 -0.156 0.000 0.820 193 F N 1.514 121.456 119.950 -0.013 0.000 2.399 193 F HA 0.385 4.912 4.527 -0.000 0.000 0.328 193 F C 2.020 177.808 175.800 -0.020 0.000 1.084 193 F CA -0.812 57.171 58.000 -0.028 0.000 1.053 193 F CB 1.346 40.318 39.000 -0.047 0.000 1.209 193 F HN 0.171 nan 8.300 nan 0.000 0.502 194 R N 0.452 121.074 120.500 0.203 0.000 2.276 194 R HA 0.097 4.436 4.340 -0.000 0.000 0.196 194 R C -0.160 176.199 176.300 0.098 0.000 0.961 194 R CA -0.050 56.117 56.100 0.111 0.000 1.024 194 R CB 0.006 30.360 30.300 0.090 0.000 0.940 194 R HN 0.339 nan 8.270 nan 0.000 0.480 195 V N 2.560 122.543 119.914 0.114 0.000 2.717 195 V HA -0.210 3.909 4.120 -0.000 0.000 0.302 195 V C 1.157 177.282 176.094 0.052 0.000 1.097 195 V CA 1.145 63.498 62.300 0.089 0.000 1.262 195 V CB 0.304 32.169 31.823 0.070 0.000 0.846 195 V HN 0.407 nan 8.190 nan 0.000 0.485 196 Q N 2.267 122.084 119.800 0.028 0.000 2.471 196 Q HA 0.185 4.525 4.340 -0.000 0.000 0.241 196 Q C -0.302 175.428 176.000 -0.449 0.000 0.886 196 Q CA 0.346 56.022 55.803 -0.212 0.000 0.953 196 Q CB 0.680 29.267 28.738 -0.252 0.000 1.108 196 Q HN 0.953 nan 8.270 nan 0.000 0.575 197 H N -0.104 119.015 119.070 0.082 0.000 2.646 197 H HA 0.518 5.073 4.556 -0.001 0.000 0.328 197 H C -1.131 174.344 175.328 0.246 0.000 0.998 197 H CA -0.263 55.866 56.048 0.135 0.000 1.225 197 H CB 1.174 31.045 29.762 0.181 0.000 1.457 197 H HN 0.032 nan 8.280 nan 0.000 0.505 198 M N 2.611 122.429 119.600 0.363 0.000 2.326 198 M HA 0.325 4.805 4.480 -0.000 0.000 0.292 198 M C -1.781 174.697 176.300 0.297 0.000 1.081 198 M CA -0.737 54.750 55.300 0.311 0.000 0.919 198 M CB 1.988 34.747 32.600 0.265 0.000 1.634 198 M HN 0.586 nan 8.290 nan 0.000 0.451 199 D N 4.957 125.419 120.400 0.103 0.000 2.462 199 D HA 0.386 5.025 4.640 -0.000 0.000 0.245 199 D C -0.674 175.552 176.300 -0.123 0.000 1.122 199 D CA -0.282 53.708 54.000 -0.017 0.000 0.864 199 D CB 0.965 41.672 40.800 -0.156 0.000 1.098 199 D HN 0.754 nan 8.370 nan 0.000 0.541 200 L N 2.448 123.638 121.223 -0.054 0.000 3.014 200 L HA 0.209 4.549 4.340 -0.000 0.000 0.263 200 L C 0.631 177.456 176.870 -0.075 0.000 1.207 200 L CA -0.457 54.334 54.840 -0.081 0.000 1.017 200 L CB 0.056 42.111 42.059 -0.006 0.000 1.360 200 L HN 0.324 nan 8.230 nan 0.000 0.560 201 S N -0.034 115.622 115.700 -0.073 0.000 2.558 201 S HA -0.031 4.439 4.470 -0.000 0.000 0.291 201 S C 0.938 175.482 174.600 -0.094 0.000 1.306 201 S CA -0.324 57.839 58.200 -0.063 0.000 1.056 201 S CB 0.221 63.378 63.200 -0.071 0.000 0.836 201 S HN 0.533 nan 8.310 nan 0.000 0.504 202 N N 0.186 118.844 118.700 -0.069 0.000 2.708 202 N HA -0.157 4.582 4.740 -0.000 0.000 0.249 202 N C -0.522 174.890 175.510 -0.163 0.000 1.097 202 N CA 1.195 54.191 53.050 -0.090 0.000 0.710 202 N CB -1.825 36.608 38.487 -0.090 0.000 1.032 202 N HN 0.647 nan 8.380 nan 0.000 0.551 203 S N -0.503 115.087 115.700 -0.183 0.000 2.730 203 S HA 0.653 5.123 4.470 -0.000 0.000 0.284 203 S C 0.525 174.966 174.600 -0.266 0.000 1.153 203 S CA -0.679 57.329 58.200 -0.321 0.000 0.995 203 S CB 2.543 65.593 63.200 -0.251 0.000 1.058 203 S HN 0.029 nan 8.310 nan 0.000 0.552 204 V N 2.178 121.869 119.914 -0.372 0.000 2.350 204 V HA 0.512 4.631 4.120 -0.000 0.000 0.285 204 V C -0.757 175.310 176.094 -0.045 0.000 1.014 204 V CA -0.247 61.981 62.300 -0.121 0.000 0.831 204 V CB 0.316 32.166 31.823 0.045 0.000 1.000 204 V HN 0.637 nan 8.190 nan 0.000 0.433 205 I N 3.098 123.670 120.570 0.004 0.000 2.512 205 I HA 0.364 4.534 4.170 -0.000 0.000 0.287 205 I C -0.085 176.067 176.117 0.058 0.000 1.069 205 I CA -0.833 60.487 61.300 0.034 0.000 1.056 205 I CB 2.247 40.265 38.000 0.029 0.000 1.229 205 I HN 0.572 nan 8.210 nan 0.000 0.429 206 E N 4.754 124.991 120.200 0.062 0.000 2.568 206 E HA -0.048 4.301 4.350 -0.000 0.000 0.262 206 E C 0.543 177.191 176.600 0.079 0.000 0.961 206 E CA 0.490 56.930 56.400 0.066 0.000 0.945 206 E CB 0.999 30.732 29.700 0.055 0.000 0.924 206 E HN 0.429 nan 8.360 nan 0.000 0.467 207 V N 3.851 123.815 119.914 0.083 0.000 2.392 207 V HA -0.309 3.811 4.120 -0.000 0.000 0.249 207 V C 2.113 178.278 176.094 0.118 0.000 1.059 207 V CA 2.631 64.990 62.300 0.098 0.000 1.051 207 V CB -0.682 31.194 31.823 0.088 0.000 0.658 207 V HN 0.841 nan 8.190 nan 0.000 0.455 208 S N -1.623 114.139 115.700 0.104 0.000 2.428 208 S HA -0.165 4.304 4.470 -0.000 0.000 0.230 208 S C 1.838 176.531 174.600 0.155 0.000 1.014 208 S CA 1.605 59.883 58.200 0.130 0.000 0.957 208 S CB -0.462 62.795 63.200 0.095 0.000 0.784 208 S HN 0.583 nan 8.310 nan 0.000 0.499 209 T N 2.340 116.964 114.554 0.118 0.000 2.942 209 T HA 0.167 4.517 4.350 -0.000 0.000 0.265 209 T C 1.589 176.364 174.700 0.125 0.000 1.062 209 T CA 0.911 63.077 62.100 0.110 0.000 1.139 209 T CB -0.418 68.492 68.868 0.069 0.000 0.883 209 T HN 0.227 nan 8.240 nan 0.000 0.468 210 L N 0.890 122.190 121.223 0.128 0.000 1.994 210 L HA -0.051 4.289 4.340 -0.000 0.000 0.208 210 L C 2.336 179.297 176.870 0.152 0.000 1.071 210 L CA 1.937 56.854 54.840 0.130 0.000 0.745 210 L CB -0.796 41.338 42.059 0.124 0.000 0.892 210 L HN 0.304 nan 8.230 nan 0.000 0.431 211 H N -0.871 118.249 119.070 0.084 0.000 2.319 211 H HA -0.116 4.440 4.556 -0.001 0.000 0.299 211 H C 2.052 177.434 175.328 0.090 0.000 1.092 211 H CA 1.959 58.054 56.048 0.078 0.000 1.302 211 H CB -0.694 29.108 29.762 0.067 0.000 1.373 211 H HN 0.381 nan 8.280 nan 0.000 0.497 212 G N 0.417 109.259 108.800 0.070 0.000 2.469 212 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.220 212 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.220 212 G C 1.791 176.733 174.900 0.069 0.000 1.136 212 G CA 1.247 46.370 45.100 0.038 0.000 0.759 212 G HN 0.497 nan 8.290 nan 0.000 0.562 213 I N 0.094 120.740 120.570 0.127 0.000 2.277 213 I HA -0.007 4.163 4.170 -0.000 0.000 0.243 213 I C 2.514 178.740 176.117 0.181 0.000 1.094 213 I CA 0.532 61.964 61.300 0.221 0.000 1.393 213 I CB -0.222 37.879 38.000 0.168 0.000 1.078 213 I HN 0.087 nan 8.210 nan 0.000 0.417 214 L N 0.771 122.042 121.223 0.079 0.000 2.362 214 L HA -0.111 4.228 4.340 -0.000 0.000 0.219 214 L C 2.347 179.196 176.870 -0.034 0.000 1.134 214 L CA 0.958 55.827 54.840 0.048 0.000 0.807 214 L CB -0.517 41.570 42.059 0.047 0.000 0.927 214 L HN 0.343 nan 8.230 nan 0.000 0.447 215 S N -1.856 113.757 115.700 -0.144 0.000 2.650 215 S HA 0.004 4.473 4.470 -0.000 0.000 0.219 215 S C 1.350 175.865 174.600 -0.141 0.000 0.960 215 S CA 0.002 58.080 58.200 -0.204 0.000 0.925 215 S CB 0.140 63.101 63.200 -0.397 0.000 0.775 215 S HN 0.344 nan 8.310 nan 0.000 0.525 216 Q N 0.312 120.045 119.800 -0.111 0.000 2.159 216 Q HA 0.384 4.723 4.340 -0.000 0.000 0.217 216 Q C -0.699 175.223 176.000 -0.130 0.000 0.818 216 Q CA -0.107 55.537 55.803 -0.265 0.000 1.008 216 Q CB 0.480 28.798 28.738 -0.699 0.000 1.148 216 Q HN 0.541 nan 8.270 nan 0.000 0.491 217 C N -0.439 118.860 119.300 -0.001 0.000 2.408 217 C HA 0.700 5.160 4.460 -0.000 0.000 0.321 217 C C 1.305 176.298 174.990 0.005 0.000 1.245 217 C CA -0.328 58.722 59.018 0.053 0.000 1.523 217 C CB 1.766 29.569 27.740 0.105 0.000 2.178 217 C HN 0.316 nan 8.230 nan 0.000 0.488 218 S N 0.270 115.971 115.700 0.001 0.000 2.658 218 S HA 0.062 4.532 4.470 -0.000 0.000 0.277 218 S C 1.102 175.690 174.600 -0.020 0.000 1.078 218 S CA -0.152 58.038 58.200 -0.015 0.000 1.124 218 S CB 0.071 63.257 63.200 -0.023 0.000 1.016 218 S HN 0.765 nan 8.310 nan 0.000 0.543 219 K N 1.654 122.047 120.400 -0.012 0.000 2.476 219 K HA 0.288 4.608 4.320 -0.000 0.000 0.196 219 K C -0.306 176.255 176.600 -0.065 0.000 1.025 219 K CA 0.047 56.318 56.287 -0.028 0.000 1.138 219 K CB -0.060 32.436 32.500 -0.007 0.000 0.860 219 K HN 0.291 nan 8.250 nan 0.000 0.515 220 L N 1.725 122.910 121.223 -0.064 0.000 2.455 220 L HA -0.037 4.303 4.340 -0.000 0.000 0.272 220 L C 1.294 178.058 176.870 -0.177 0.000 1.174 220 L CA 0.347 55.118 54.840 -0.115 0.000 0.869 220 L CB 0.699 42.720 42.059 -0.063 0.000 1.130 220 L HN 0.254 nan 8.230 nan 0.000 0.474 221 Q N 1.606 121.221 119.800 -0.309 0.000 2.511 221 Q HA 0.207 4.547 4.340 -0.000 0.000 0.236 221 Q C -0.277 175.489 176.000 -0.390 0.000 0.893 221 Q CA 0.274 55.882 55.803 -0.327 0.000 0.947 221 Q CB 0.779 29.278 28.738 -0.398 0.000 1.110 221 Q HN 0.599 nan 8.270 nan 0.000 0.591 222 N N 0.918 119.307 118.700 -0.519 0.000 2.410 222 N HA 0.436 5.175 4.740 -0.000 0.000 0.287 222 N C -1.805 173.456 175.510 -0.415 0.000 1.044 222 N CA -0.275 52.324 53.050 -0.750 0.000 0.881 222 N CB 2.671 40.277 38.487 -1.468 0.000 1.405 222 N HN -0.003 nan 8.380 nan 0.000 0.490 223 L N 0.841 121.969 121.223 -0.158 0.000 2.422 223 L HA 0.639 4.978 4.340 -0.000 0.000 0.264 223 L C -0.840 176.221 176.870 0.318 0.000 0.984 223 L CA -0.333 54.595 54.840 0.147 0.000 0.819 223 L CB 2.267 44.364 42.059 0.062 0.000 1.330 223 L HN 0.431 nan 8.230 nan 0.000 0.410 224 S N 4.653 120.554 115.700 0.336 0.000 2.756 224 S HA 0.587 5.057 4.470 -0.000 0.000 0.303 224 S C -0.388 174.288 174.600 0.126 0.000 1.135 224 S CA -0.526 57.817 58.200 0.238 0.000 1.066 224 S CB 0.508 63.817 63.200 0.182 0.000 1.008 224 S HN 0.690 nan 8.310 nan 0.000 0.482 225 L N 3.592 124.883 121.223 0.113 0.000 3.110 225 L HA 0.397 4.736 4.340 -0.000 0.000 0.266 225 L C 0.762 177.684 176.870 0.087 0.000 1.257 225 L CA -0.216 54.678 54.840 0.089 0.000 1.038 225 L CB 0.201 42.319 42.059 0.097 0.000 1.395 225 L HN 0.678 nan 8.230 nan 0.000 0.566 226 E N 1.385 121.632 120.200 0.079 0.000 2.558 226 E HA 0.061 4.411 4.350 -0.000 0.000 0.255 226 E C 1.110 177.744 176.600 0.057 0.000 0.968 226 E CA 0.900 57.346 56.400 0.075 0.000 0.939 226 E CB 0.391 30.124 29.700 0.055 0.000 0.921 226 E HN 0.426 nan 8.360 nan 0.000 0.477 227 G N 4.177 113.026 108.800 0.081 0.000 2.221 227 G HA2 -0.251 3.708 3.960 -0.000 0.000 0.265 227 G HA3 -0.251 3.708 3.960 -0.000 0.000 0.265 227 G C -0.207 174.741 174.900 0.079 0.000 1.041 227 G CA 0.352 45.502 45.100 0.083 0.000 0.807 227 G HN 0.443 nan 8.290 nan 0.000 0.502 228 L N -0.498 120.779 121.223 0.090 0.000 2.356 228 L HA 0.582 4.921 4.340 -0.000 0.000 0.277 228 L C 0.662 177.600 176.870 0.113 0.000 0.996 228 L CA -1.450 53.443 54.840 0.089 0.000 0.822 228 L CB 1.743 43.849 42.059 0.079 0.000 1.256 228 L HN 0.169 nan 8.230 nan 0.000 0.413 229 R N 3.113 123.682 120.500 0.115 0.000 2.489 229 R HA 0.433 4.772 4.340 -0.000 0.000 0.287 229 R C -0.979 175.401 176.300 0.133 0.000 1.053 229 R CA 0.613 56.783 56.100 0.116 0.000 1.036 229 R CB 0.200 30.573 30.300 0.121 0.000 0.966 229 R HN 0.577 nan 8.270 nan 0.000 0.432 230 L N 1.966 123.292 121.223 0.172 0.000 2.777 230 L HA 0.672 5.011 4.340 -0.000 0.000 0.241 230 L C -0.239 176.751 176.870 0.199 0.000 1.854 230 L CA -0.901 54.065 54.840 0.210 0.000 2.070 230 L CB 1.235 43.477 42.059 0.306 0.000 2.441 230 L HN 0.896 nan 8.230 nan 0.000 0.587 231 S N -2.651 113.182 115.700 0.223 0.000 2.614 231 S HA 0.167 4.637 4.470 -0.000 0.000 0.280 231 S C -0.585 174.114 174.600 0.164 0.000 1.111 231 S CA -0.755 57.552 58.200 0.177 0.000 0.847 231 S CB 1.189 64.441 63.200 0.086 0.000 1.079 231 S HN 0.535 nan 8.310 nan 0.000 0.452 232 D N 1.740 122.235 120.400 0.158 0.000 2.157 232 D HA -0.029 4.611 4.640 -0.000 0.000 0.191 232 D C -1.003 175.329 176.300 0.053 0.000 1.004 232 D CA 2.100 56.170 54.000 0.117 0.000 0.854 232 D CB -1.567 39.295 40.800 0.103 0.000 0.936 232 D HN 0.502 nan 8.370 nan 0.000 0.446 233 P HA -0.105 nan 4.420 nan 0.000 0.215 233 P C 1.671 179.023 177.300 0.088 0.000 1.157 233 P CA 0.897 63.942 63.100 -0.092 0.000 0.874 233 P CB 0.056 31.513 31.700 -0.404 0.000 0.790 234 I N -1.184 119.465 120.570 0.132 0.000 2.113 234 I HA -0.215 3.955 4.170 -0.000 0.000 0.238 234 I C 2.183 178.371 176.117 0.118 0.000 1.070 234 I CA 1.473 62.924 61.300 0.252 0.000 1.332 234 I CB -0.949 37.162 38.000 0.185 0.000 1.044 234 I HN -0.190 nan 8.210 nan 0.000 0.402 235 V N 1.391 121.323 119.914 0.031 0.000 2.380 235 V HA -0.294 3.826 4.120 -0.000 0.000 0.251 235 V C 2.136 178.202 176.094 -0.046 0.000 1.063 235 V CA 1.885 64.128 62.300 -0.095 0.000 1.055 235 V CB -0.901 30.762 31.823 -0.268 0.000 0.657 235 V HN 0.467 nan 8.190 nan 0.000 0.455 236 N N 0.044 118.752 118.700 0.013 0.000 2.270 236 N HA -0.112 4.628 4.740 -0.000 0.000 0.181 236 N C 1.866 177.397 175.510 0.033 0.000 1.016 236 N CA 1.830 54.892 53.050 0.019 0.000 0.870 236 N CB -0.280 38.229 38.487 0.037 0.000 0.979 236 N HN 0.505 nan 8.380 nan 0.000 0.431 237 T N 1.836 116.434 114.554 0.075 0.000 2.915 237 T HA 0.036 4.386 4.350 -0.000 0.000 0.269 237 T C 2.126 176.832 174.700 0.009 0.000 1.071 237 T CA 0.346 62.473 62.100 0.046 0.000 1.132 237 T CB -0.054 68.834 68.868 0.034 0.000 0.878 237 T HN 0.158 nan 8.240 nan 0.000 0.479 238 L N 0.843 122.069 121.223 0.005 0.000 2.131 238 L HA -0.090 4.249 4.340 -0.000 0.000 0.210 238 L C 3.039 179.895 176.870 -0.024 0.000 1.092 238 L CA 0.982 55.814 54.840 -0.014 0.000 0.759 238 L CB -0.694 41.344 42.059 -0.034 0.000 0.903 238 L HN 0.277 nan 8.230 nan 0.000 0.435 239 A N 0.372 123.177 122.820 -0.025 0.000 1.997 239 A HA -0.275 4.044 4.320 -0.000 0.000 0.221 239 A C 2.218 179.789 177.584 -0.021 0.000 1.172 239 A CA 1.898 53.919 52.037 -0.026 0.000 0.645 239 A CB -0.401 18.586 19.000 -0.021 0.000 0.813 239 A HN 0.401 nan 8.150 nan 0.000 0.454 240 K N -0.148 120.242 120.400 -0.017 0.000 2.152 240 K HA -0.145 4.175 4.320 -0.000 0.000 0.206 240 K C -0.069 176.517 176.600 -0.023 0.000 1.048 240 K CA 1.344 57.620 56.287 -0.019 0.000 0.933 240 K CB -0.313 32.175 32.500 -0.020 0.000 0.721 240 K HN 0.514 nan 8.250 nan 0.000 0.447 241 N N 1.019 119.704 118.700 -0.025 0.000 3.254 241 N HA -0.012 4.728 4.740 -0.000 0.000 0.308 241 N C 0.415 175.902 175.510 -0.039 0.000 1.281 241 N CA -0.087 52.943 53.050 -0.034 0.000 1.212 241 N CB 0.565 39.031 38.487 -0.036 0.000 1.478 241 N HN 0.112 nan 8.380 nan 0.000 0.548 242 S N -0.429 115.252 115.700 -0.032 0.000 2.469 242 S HA -0.101 4.369 4.470 -0.000 0.000 0.238 242 S C 1.253 175.830 174.600 -0.038 0.000 0.998 242 S CA 0.561 58.743 58.200 -0.030 0.000 0.957 242 S CB -0.031 63.156 63.200 -0.023 0.000 0.764 242 S HN 0.342 nan 8.310 nan 0.000 0.514 243 N N 1.322 119.994 118.700 -0.047 0.000 2.370 243 N HA 0.253 4.993 4.740 -0.000 0.000 0.198 243 N C -0.224 175.237 175.510 -0.081 0.000 1.156 243 N CA 0.031 53.046 53.050 -0.057 0.000 0.839 243 N CB -0.262 38.191 38.487 -0.058 0.000 0.989 243 N HN 0.491 nan 8.380 nan 0.000 0.468 244 L N 0.906 122.082 121.223 -0.080 0.000 2.584 244 L HA -0.023 4.317 4.340 -0.000 0.000 0.272 244 L C 1.425 178.234 176.870 -0.102 0.000 1.195 244 L CA -0.111 54.668 54.840 -0.102 0.000 0.920 244 L CB 0.815 42.827 42.059 -0.078 0.000 1.173 244 L HN -0.081 nan 8.230 nan 0.000 0.489 245 V N 3.814 123.640 119.914 -0.146 0.000 2.922 245 V HA 0.112 4.232 4.120 -0.000 0.000 0.242 245 V C 0.784 176.792 176.094 -0.143 0.000 1.094 245 V CA 0.831 63.051 62.300 -0.133 0.000 1.106 245 V CB 0.080 31.812 31.823 -0.150 0.000 0.799 245 V HN 0.695 nan 8.190 nan 0.000 0.474 246 R N 0.297 120.665 120.500 -0.219 0.000 2.532 246 R HA 0.621 4.961 4.340 -0.000 0.000 0.297 246 R C -1.770 174.458 176.300 -0.119 0.000 0.984 246 R CA -0.528 55.464 56.100 -0.181 0.000 0.884 246 R CB 2.420 32.528 30.300 -0.320 0.000 1.182 246 R HN 0.126 nan 8.270 nan 0.000 0.442 247 L N 2.782 124.007 121.223 0.004 0.000 2.439 247 L HA 0.464 4.803 4.340 -0.000 0.000 0.270 247 L C -1.447 175.496 176.870 0.121 0.000 0.972 247 L CA -0.455 54.416 54.840 0.053 0.000 0.836 247 L CB 1.878 43.949 42.059 0.020 0.000 1.255 247 L HN 0.475 nan 8.230 nan 0.000 0.404 248 N N 5.538 124.341 118.700 0.171 0.000 2.511 248 N HA 0.394 5.134 4.740 -0.000 0.000 0.249 248 N C -0.704 174.899 175.510 0.154 0.000 0.971 248 N CA -0.267 52.889 53.050 0.176 0.000 0.938 248 N CB 1.025 39.634 38.487 0.203 0.000 1.131 248 N HN 0.806 nan 8.380 nan 0.000 0.505 249 L N 1.333 122.654 121.223 0.162 0.000 3.110 249 L HA 0.245 4.585 4.340 -0.000 0.000 0.266 249 L C 0.733 177.723 176.870 0.202 0.000 1.257 249 L CA -0.251 54.699 54.840 0.183 0.000 1.038 249 L CB 0.257 42.436 42.059 0.201 0.000 1.395 249 L HN 0.369 nan 8.230 nan 0.000 0.566 250 S N 0.204 116.010 115.700 0.178 0.000 2.537 250 S HA 0.306 4.775 4.470 -0.000 0.000 0.286 250 S C 1.406 176.100 174.600 0.157 0.000 1.299 250 S CA 1.034 59.344 58.200 0.183 0.000 1.067 250 S CB 0.598 63.907 63.200 0.181 0.000 0.864 250 S HN 0.731 nan 8.310 nan 0.000 0.494 251 G N 3.307 112.201 108.800 0.157 0.000 2.212 251 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.266 251 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.266 251 G C 0.577 175.499 174.900 0.037 0.000 0.978 251 G CA 0.197 45.385 45.100 0.146 0.000 0.632 251 G HN 0.895 nan 8.290 nan 0.000 0.537 252 C N 1.134 120.455 119.300 0.035 0.000 2.705 252 C HA 0.726 5.186 4.460 -0.000 0.000 0.365 252 C C 1.261 176.088 174.990 -0.272 0.000 1.353 252 C CA 0.692 59.730 59.018 0.034 0.000 2.339 252 C CB 0.941 28.839 27.740 0.263 0.000 2.576 252 C HN 1.393 nan 8.230 nan 0.000 0.716 253 S N -0.995 114.546 115.700 -0.264 0.000 2.757 253 S HA 0.711 5.181 4.470 -0.000 0.000 0.285 253 S C 0.108 174.549 174.600 -0.264 0.000 1.196 253 S CA 0.346 58.198 58.200 -0.581 0.000 0.856 253 S CB 0.803 63.458 63.200 -0.908 0.000 1.212 253 S HN 2.422 nan 8.310 nan 0.000 0.516 254 G N 0.140 108.791 108.800 -0.248 0.000 2.148 254 G HA2 -0.124 3.835 3.960 -0.000 0.000 0.254 254 G HA3 -0.124 3.835 3.960 -0.000 0.000 0.254 254 G C -0.218 174.751 174.900 0.115 0.000 0.981 254 G CA 0.573 45.662 45.100 -0.018 0.000 0.670 254 G HN 1.792 nan 8.290 nan 0.000 0.528 255 F N 0.399 120.421 119.950 0.120 0.000 2.565 255 F HA 0.841 5.367 4.527 -0.000 0.000 0.313 255 F C 0.375 176.312 175.800 0.227 0.000 1.091 255 F CA -0.964 57.123 58.000 0.144 0.000 0.915 255 F CB 0.992 40.064 39.000 0.120 0.000 1.208 255 F HN 0.339 nan 8.300 nan 0.000 0.453 256 S N 0.713 116.642 115.700 0.381 0.000 2.617 256 S HA 0.121 4.591 4.470 -0.000 0.000 0.259 256 S C 0.886 175.427 174.600 -0.098 0.000 1.301 256 S CA -0.007 58.303 58.200 0.184 0.000 0.984 256 S CB 0.773 64.148 63.200 0.292 0.000 0.954 256 S HN 0.855 nan 8.310 nan 0.000 0.572 257 E N 0.380 120.108 120.200 -0.788 0.000 2.427 257 E HA -0.062 4.288 4.350 -0.000 0.000 0.196 257 E C 1.026 177.233 176.600 -0.656 0.000 1.028 257 E CA 0.602 56.424 56.400 -0.963 0.000 0.864 257 E CB -0.557 28.401 29.700 -1.236 0.000 0.813 257 E HN 0.724 nan 8.360 nan 0.000 0.514 258 F N 2.020 121.856 119.950 -0.190 0.000 2.147 258 F HA 0.173 4.700 4.527 -0.000 0.000 0.291 258 F C 2.829 178.562 175.800 -0.112 0.000 1.093 258 F CA 0.832 58.746 58.000 -0.144 0.000 1.263 258 F CB -0.662 38.279 39.000 -0.099 0.000 1.036 258 F HN 0.084 nan 8.300 nan 0.000 0.481 259 A N 0.419 123.323 122.820 0.140 0.000 1.908 259 A HA -0.193 4.127 4.320 -0.000 0.000 0.218 259 A C 2.103 179.653 177.584 -0.056 0.000 1.181 259 A CA 1.701 53.770 52.037 0.054 0.000 0.627 259 A CB -1.127 17.930 19.000 0.096 0.000 0.818 259 A HN 0.376 nan 8.150 nan 0.000 0.445 260 L N -0.063 121.125 121.223 -0.059 0.000 2.042 260 L HA -0.229 4.110 4.340 -0.000 0.000 0.210 260 L C 2.469 179.246 176.870 -0.156 0.000 1.076 260 L CA 2.751 57.513 54.840 -0.130 0.000 0.749 260 L CB -0.818 41.237 42.059 -0.007 0.000 0.893 260 L HN 0.622 nan 8.230 nan 0.000 0.432 261 Q N -1.290 118.384 119.800 -0.209 0.000 2.084 261 Q HA -0.233 4.106 4.340 -0.000 0.000 0.202 261 Q C 2.148 178.018 176.000 -0.216 0.000 0.978 261 Q CA 2.428 58.033 55.803 -0.330 0.000 0.844 261 Q CB -0.195 28.280 28.738 -0.438 0.000 0.898 261 Q HN 0.711 nan 8.270 nan 0.000 0.426 262 T N -0.555 113.927 114.554 -0.119 0.000 2.857 262 T HA -0.132 4.218 4.350 -0.000 0.000 0.266 262 T C 1.807 176.470 174.700 -0.061 0.000 1.048 262 T CA 0.978 63.037 62.100 -0.068 0.000 1.139 262 T CB -0.247 68.601 68.868 -0.034 0.000 0.874 262 T HN 0.302 nan 8.240 nan 0.000 0.455 263 L N 0.928 122.103 121.223 -0.080 0.000 2.017 263 L HA 0.160 4.499 4.340 -0.000 0.000 0.208 263 L C 2.392 179.231 176.870 -0.052 0.000 1.073 263 L CA 1.716 56.510 54.840 -0.076 0.000 0.745 263 L CB -0.831 41.153 42.059 -0.125 0.000 0.894 263 L HN 0.351 nan 8.230 nan 0.000 0.432 264 L N -1.160 120.032 121.223 -0.051 0.000 2.093 264 L HA -0.160 4.180 4.340 -0.000 0.000 0.208 264 L C 2.462 179.346 176.870 0.023 0.000 1.085 264 L CA 1.289 56.125 54.840 -0.006 0.000 0.755 264 L CB -0.698 41.371 42.059 0.016 0.000 0.904 264 L HN 0.244 nan 8.230 nan 0.000 0.435 265 S N -0.918 114.794 115.700 0.020 0.000 2.402 265 S HA -0.179 4.290 4.470 -0.000 0.000 0.229 265 S C 2.188 176.802 174.600 0.022 0.000 1.021 265 S CA 1.564 59.796 58.200 0.053 0.000 0.974 265 S CB -0.109 63.121 63.200 0.050 0.000 0.800 265 S HN 0.380 nan 8.310 nan 0.000 0.484 266 S N -0.061 115.639 115.700 -0.001 0.000 2.414 266 S HA -0.029 4.441 4.470 -0.000 0.000 0.227 266 S C 0.861 175.455 174.600 -0.010 0.000 1.022 266 S CA 0.379 58.574 58.200 -0.007 0.000 0.958 266 S CB -0.262 62.928 63.200 -0.017 0.000 0.797 266 S HN 0.559 nan 8.310 nan 0.000 0.493 267 C N 3.502 122.796 119.300 -0.011 0.000 2.484 267 C HA 0.392 4.852 4.460 -0.000 0.000 0.494 267 C C 1.799 176.784 174.990 -0.008 0.000 1.052 267 C CA -0.379 58.630 59.018 -0.016 0.000 1.307 267 C CB -1.470 26.257 27.740 -0.022 0.000 1.464 267 C HN 0.691 nan 8.230 nan 0.000 0.564 268 S N 1.014 116.709 115.700 -0.007 0.000 2.603 268 S HA -0.104 4.366 4.470 -0.000 0.000 0.229 268 S C 1.372 175.966 174.600 -0.010 0.000 0.972 268 S CA 0.208 58.405 58.200 -0.004 0.000 0.935 268 S CB -0.285 62.914 63.200 -0.002 0.000 0.769 268 S HN 0.904 nan 8.310 nan 0.000 0.536 269 R N -0.395 120.095 120.500 -0.017 0.000 2.565 269 R HA 0.447 4.786 4.340 -0.000 0.000 0.347 269 R C -0.151 176.133 176.300 -0.027 0.000 1.010 269 R CA -0.713 55.374 56.100 -0.022 0.000 1.126 269 R CB -0.403 29.881 30.300 -0.028 0.000 1.331 269 R HN 0.258 nan 8.270 nan 0.000 0.552 270 L N 2.345 123.555 121.223 -0.023 0.000 2.578 270 L HA -0.016 4.324 4.340 -0.000 0.000 0.279 270 L C 0.607 177.468 176.870 -0.016 0.000 1.227 270 L CA 1.031 55.856 54.840 -0.024 0.000 0.900 270 L CB 1.045 43.098 42.059 -0.010 0.000 1.144 270 L HN 0.221 nan 8.230 nan 0.000 0.496 271 D N 1.797 122.182 120.400 -0.025 0.000 2.615 271 D HA 0.099 4.739 4.640 -0.000 0.000 0.259 271 D C -0.263 176.037 176.300 0.001 0.000 0.999 271 D CA 0.588 54.580 54.000 -0.014 0.000 0.938 271 D CB 0.469 41.252 40.800 -0.028 0.000 1.121 271 D HN 0.682 nan 8.370 nan 0.000 0.487 272 E N -0.065 120.130 120.200 -0.008 0.000 2.183 272 E HA 0.475 4.825 4.350 -0.000 0.000 0.271 272 E C -1.298 175.324 176.600 0.037 0.000 0.919 272 E CA -0.859 55.549 56.400 0.014 0.000 0.781 272 E CB 2.685 32.393 29.700 0.014 0.000 1.140 272 E HN 0.019 nan 8.360 nan 0.000 0.402 273 L N 3.461 124.723 121.223 0.065 0.000 2.504 273 L HA 0.302 4.642 4.340 -0.000 0.000 0.265 273 L C -1.498 175.443 176.870 0.119 0.000 0.975 273 L CA -0.191 54.701 54.840 0.086 0.000 0.864 273 L CB 1.387 43.493 42.059 0.080 0.000 1.212 273 L HN 0.485 nan 8.230 nan 0.000 0.416 274 N N 4.614 123.396 118.700 0.137 0.000 2.527 274 N HA 0.383 5.122 4.740 -0.000 0.000 0.236 274 N C -0.965 174.658 175.510 0.188 0.000 0.999 274 N CA -0.469 52.676 53.050 0.159 0.000 0.935 274 N CB 0.744 39.324 38.487 0.156 0.000 1.132 274 N HN 0.633 nan 8.380 nan 0.000 0.511 275 L N 3.994 125.349 121.223 0.220 0.000 2.784 275 L HA 0.351 4.691 4.340 -0.000 0.000 0.241 275 L C -0.632 176.457 176.870 0.366 0.000 1.352 275 L CA -0.303 54.713 54.840 0.294 0.000 0.911 275 L CB 0.082 42.321 42.059 0.299 0.000 1.227 275 L HN 0.437 nan 8.230 nan 0.000 0.501 276 S N -1.587 114.268 115.700 0.258 0.000 2.621 276 S HA 0.624 5.094 4.470 -0.000 0.000 0.302 276 S C -0.431 174.200 174.600 0.053 0.000 1.093 276 S CA -0.477 57.779 58.200 0.094 0.000 1.017 276 S CB 0.597 63.854 63.200 0.094 0.000 1.077 276 S HN 0.426 nan 8.310 nan 0.000 0.517 277 W N -0.530 120.554 121.300 -0.360 0.000 5.770 277 W HA -0.207 4.453 4.660 -0.001 0.000 0.389 277 W C -0.250 176.131 176.519 -0.230 0.000 1.469 277 W CA -0.482 56.678 57.345 -0.307 0.000 0.975 277 W CB -2.257 27.122 29.460 -0.135 0.000 2.622 277 W HN 0.668 nan 8.180 nan 0.000 1.500 278 C N 2.513 121.649 119.300 -0.274 0.000 2.210 278 C HA 0.134 4.593 4.460 -0.000 0.000 0.377 278 C C 2.175 176.719 174.990 -0.745 0.000 1.037 278 C CA -0.268 58.342 59.018 -0.680 0.000 1.405 278 C CB -2.202 24.802 27.740 -1.228 0.000 1.802 278 C HN 0.427 nan 8.230 nan 0.000 0.495 279 F N 0.607 120.420 119.950 -0.228 0.000 2.287 279 F HA -0.137 4.390 4.527 -0.001 0.000 0.301 279 F C 1.498 177.195 175.800 -0.172 0.000 1.069 279 F CA 1.682 59.608 58.000 -0.124 0.000 1.372 279 F CB -0.789 38.199 39.000 -0.020 0.000 1.056 279 F HN 0.430 nan 8.300 nan 0.000 0.523 280 D N -0.110 119.855 120.400 -0.726 0.000 2.312 280 D HA -0.027 4.613 4.640 -0.000 0.000 0.211 280 D C 0.445 176.558 176.300 -0.311 0.000 0.964 280 D CA 0.758 54.467 54.000 -0.486 0.000 0.877 280 D CB -0.060 40.290 40.800 -0.750 0.000 0.924 280 D HN 0.322 nan 8.370 nan 0.000 0.515 281 F N -1.348 118.328 119.950 -0.456 0.000 2.639 281 F HA 0.605 5.131 4.527 -0.001 0.000 0.339 281 F C 0.472 176.076 175.800 -0.327 0.000 1.071 281 F CA -1.251 56.339 58.000 -0.684 0.000 0.994 281 F CB 0.180 38.090 39.000 -1.815 0.000 1.341 281 F HN -0.265 nan 8.300 nan 0.000 0.498 282 T N -2.285 112.310 114.554 0.067 0.000 2.888 282 T HA 0.345 4.695 4.350 -0.000 0.000 0.283 282 T C 0.688 175.433 174.700 0.075 0.000 1.013 282 T CA -0.046 62.130 62.100 0.125 0.000 0.938 282 T CB 0.728 69.674 68.868 0.130 0.000 1.298 282 T HN 0.722 nan 8.240 nan 0.000 0.580 283 E N 0.414 120.636 120.200 0.037 0.000 2.049 283 E HA -0.183 4.167 4.350 -0.000 0.000 0.198 283 E C 2.209 178.761 176.600 -0.080 0.000 1.007 283 E CA 1.379 57.770 56.400 -0.015 0.000 0.809 283 E CB -0.227 29.468 29.700 -0.008 0.000 0.749 283 E HN 0.605 nan 8.360 nan 0.000 0.450 284 K N 0.127 120.475 120.400 -0.087 0.000 2.127 284 K HA -0.222 4.098 4.320 -0.000 0.000 0.208 284 K C 2.040 178.439 176.600 -0.335 0.000 1.047 284 K CA 1.747 57.912 56.287 -0.204 0.000 0.927 284 K CB -0.280 32.069 32.500 -0.250 0.000 0.716 284 K HN 0.263 nan 8.250 nan 0.000 0.450 285 H N -0.384 118.389 119.070 -0.494 0.000 2.395 285 H HA -0.048 4.508 4.556 -0.001 0.000 0.299 285 H C 2.041 176.935 175.328 -0.723 0.000 1.070 285 H CA 1.151 56.708 56.048 -0.819 0.000 1.356 285 H CB -0.144 28.582 29.762 -1.727 0.000 1.401 285 H HN -0.088 nan 8.280 nan 0.000 0.524 286 V N 0.837 120.498 119.914 -0.422 0.000 2.358 286 V HA -0.257 3.862 4.120 -0.000 0.000 0.246 286 V C 2.095 178.084 176.094 -0.175 0.000 1.047 286 V CA 1.804 63.922 62.300 -0.304 0.000 1.035 286 V CB -0.487 31.213 31.823 -0.205 0.000 0.658 286 V HN 0.490 nan 8.190 nan 0.000 0.452 287 Q N -0.295 119.414 119.800 -0.152 0.000 2.020 287 Q HA -0.165 4.175 4.340 -0.000 0.000 0.202 287 Q C 2.419 178.373 176.000 -0.077 0.000 0.982 287 Q CA 1.846 57.590 55.803 -0.097 0.000 0.838 287 Q CB -0.530 28.152 28.738 -0.093 0.000 0.899 287 Q HN 0.518 nan 8.270 nan 0.000 0.423 288 V N 1.575 121.406 119.914 -0.138 0.000 2.252 288 V HA -0.359 3.760 4.120 -0.000 0.000 0.249 288 V C 2.410 178.512 176.094 0.013 0.000 1.056 288 V CA 2.007 64.258 62.300 -0.081 0.000 1.022 288 V CB -1.217 30.433 31.823 -0.288 0.000 0.641 288 V HN 0.461 nan 8.190 nan 0.000 0.445 289 A N 0.580 123.347 122.820 -0.088 0.000 1.859 289 A HA -0.237 4.083 4.320 -0.000 0.000 0.218 289 A C 2.371 179.967 177.584 0.020 0.000 1.209 289 A CA 3.114 55.132 52.037 -0.033 0.000 0.639 289 A CB -1.076 17.884 19.000 -0.067 0.000 0.835 289 A HN 0.828 nan 8.150 nan 0.000 0.450 290 V N -2.913 117.002 119.914 0.001 0.000 2.759 290 V HA 0.122 4.242 4.120 -0.000 0.000 0.256 290 V C 2.336 178.422 176.094 -0.013 0.000 1.080 290 V CA 1.758 64.063 62.300 0.008 0.000 1.101 290 V CB -1.219 30.606 31.823 0.004 0.000 0.698 290 V HN 0.587 nan 8.190 nan 0.000 0.477 291 A N -0.138 122.675 122.820 -0.012 0.000 2.021 291 A HA 0.045 4.365 4.320 -0.000 0.000 0.216 291 A C 1.666 179.034 177.584 -0.361 0.000 1.163 291 A CA 1.368 53.316 52.037 -0.147 0.000 0.676 291 A CB -0.529 18.402 19.000 -0.115 0.000 0.818 291 A HN 0.765 nan 8.150 nan 0.000 0.453 292 H N -1.914 117.134 119.070 -0.038 0.000 2.767 292 H HA 0.373 4.928 4.556 -0.000 0.000 0.260 292 H C -0.356 174.960 175.328 -0.020 0.000 1.172 292 H CA -0.518 55.512 56.048 -0.030 0.000 1.048 292 H CB 0.262 30.000 29.762 -0.040 0.000 1.697 292 H HN 0.134 nan 8.280 nan 0.000 0.606 293 V N 1.184 121.140 119.914 0.069 0.000 2.686 293 V HA 0.036 4.155 4.120 -0.000 0.000 0.295 293 V C 0.935 177.049 176.094 0.033 0.000 1.055 293 V CA -0.277 62.054 62.300 0.052 0.000 1.050 293 V CB 1.574 33.427 31.823 0.050 0.000 0.984 293 V HN 0.422 nan 8.190 nan 0.000 0.482 294 S N 2.678 118.396 115.700 0.029 0.000 2.560 294 S HA 0.030 4.500 4.470 -0.000 0.000 0.284 294 S C 1.149 175.759 174.600 0.016 0.000 1.327 294 S CA -0.212 57.998 58.200 0.017 0.000 1.055 294 S CB 0.352 63.558 63.200 0.010 0.000 0.868 294 S HN 0.814 nan 8.310 nan 0.000 0.506 295 E N 1.887 122.092 120.200 0.009 0.000 2.401 295 E HA -0.104 4.246 4.350 -0.000 0.000 0.199 295 E C 1.680 178.287 176.600 0.012 0.000 1.023 295 E CA 1.336 57.743 56.400 0.013 0.000 0.859 295 E CB -0.203 29.501 29.700 0.007 0.000 0.780 295 E HN 0.923 nan 8.360 nan 0.000 0.523 296 T N -0.864 113.694 114.554 0.006 0.000 3.088 296 T HA -0.003 4.346 4.350 -0.000 0.000 0.259 296 T C 0.856 175.559 174.700 0.006 0.000 1.122 296 T CA -0.324 61.775 62.100 -0.002 0.000 1.095 296 T CB -0.140 68.723 68.868 -0.009 0.000 0.930 296 T HN -0.082 nan 8.240 nan 0.000 0.508 297 I N 4.097 124.679 120.570 0.020 0.000 2.683 297 I HA 0.147 4.317 4.170 -0.000 0.000 0.286 297 I C 1.436 177.582 176.117 0.049 0.000 1.175 297 I CA 0.390 61.710 61.300 0.034 0.000 1.429 297 I CB 0.997 39.025 38.000 0.047 0.000 1.371 297 I HN 0.412 nan 8.210 nan 0.000 0.569 298 T N 3.139 117.726 114.554 0.056 0.000 2.975 298 T HA 0.298 4.648 4.350 -0.000 0.000 0.261 298 T C 0.375 175.157 174.700 0.137 0.000 0.984 298 T CA -0.152 62.001 62.100 0.089 0.000 0.911 298 T CB 0.005 68.916 68.868 0.072 0.000 1.127 298 T HN 0.594 nan 8.240 nan 0.000 0.514 299 Q N 1.064 120.920 119.800 0.094 0.000 2.294 299 Q HA 0.629 4.968 4.340 -0.000 0.000 0.264 299 Q C -2.157 173.900 176.000 0.094 0.000 0.992 299 Q CA -0.723 55.137 55.803 0.095 0.000 0.747 299 Q CB 2.566 31.262 28.738 -0.070 0.000 1.262 299 Q HN 0.282 nan 8.270 nan 0.000 0.452 300 L N 2.859 124.159 121.223 0.129 0.000 2.376 300 L HA 0.538 4.878 4.340 -0.000 0.000 0.275 300 L C -1.410 175.541 176.870 0.136 0.000 0.987 300 L CA -0.247 54.667 54.840 0.124 0.000 0.828 300 L CB 1.662 43.794 42.059 0.121 0.000 1.249 300 L HN 0.456 nan 8.230 nan 0.000 0.409 301 N N 5.890 124.674 118.700 0.140 0.000 2.621 301 N HA 0.298 5.038 4.740 -0.000 0.000 0.237 301 N C -1.019 174.591 175.510 0.166 0.000 0.997 301 N CA -0.200 52.936 53.050 0.144 0.000 0.918 301 N CB 0.848 39.422 38.487 0.146 0.000 1.122 301 N HN 0.794 nan 8.380 nan 0.000 0.510 302 L N 2.375 123.696 121.223 0.165 0.000 3.108 302 L HA 0.195 4.535 4.340 -0.000 0.000 0.251 302 L C 0.507 177.438 176.870 0.102 0.000 1.315 302 L CA -0.240 54.753 54.840 0.255 0.000 1.048 302 L CB -0.032 42.187 42.059 0.266 0.000 1.432 302 L HN 0.408 nan 8.230 nan 0.000 0.543 303 S N -1.622 114.001 115.700 -0.129 0.000 2.617 303 S HA 0.632 5.102 4.470 -0.000 0.000 0.269 303 S C 1.130 174.950 174.600 -1.301 0.000 1.292 303 S CA 0.320 58.273 58.200 -0.411 0.000 1.010 303 S CB 1.831 64.953 63.200 -0.130 0.000 0.944 303 S HN 0.530 nan 8.310 nan 0.000 0.536 304 G N -0.019 107.878 108.800 -1.505 0.000 2.179 304 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.220 304 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.220 304 G C -0.326 173.676 174.900 -1.496 0.000 0.990 304 G CA -0.128 43.457 45.100 -2.525 0.000 0.646 304 G HN 0.801 nan 8.290 nan 0.000 0.517 305 Y N 1.393 121.412 120.300 -0.469 0.000 2.841 305 Y HA 0.621 5.170 4.550 -0.001 0.000 0.329 305 Y C 1.611 177.428 175.900 -0.138 0.000 1.062 305 Y CA -1.104 56.867 58.100 -0.216 0.000 1.281 305 Y CB 0.638 39.053 38.460 -0.076 0.000 1.147 305 Y HN 0.104 nan 8.280 nan 0.000 0.521 306 R N 1.607 122.082 120.500 -0.042 0.000 2.277 306 R HA -0.183 4.156 4.340 -0.000 0.000 0.199 306 R C 1.906 178.231 176.300 0.042 0.000 1.020 306 R CA 1.777 57.875 56.100 -0.003 0.000 0.911 306 R CB -0.288 30.027 30.300 0.025 0.000 0.725 306 R HN 0.491 nan 8.270 nan 0.000 0.483 307 K N 0.700 121.133 120.400 0.054 0.000 2.515 307 K HA -0.012 4.308 4.320 -0.000 0.000 0.196 307 K C 0.633 177.266 176.600 0.056 0.000 1.038 307 K CA 1.453 57.771 56.287 0.052 0.000 0.967 307 K CB -0.153 32.378 32.500 0.051 0.000 0.780 307 K HN 0.177 nan 8.250 nan 0.000 0.483 308 N N 0.315 119.063 118.700 0.080 0.000 2.336 308 N HA 0.036 4.776 4.740 -0.000 0.000 0.189 308 N C -0.688 174.861 175.510 0.065 0.000 1.113 308 N CA 0.113 53.209 53.050 0.077 0.000 0.858 308 N CB 0.335 38.887 38.487 0.108 0.000 0.970 308 N HN 0.213 nan 8.380 nan 0.000 0.471 309 L N 2.202 123.471 121.223 0.075 0.000 2.384 309 L HA 0.297 4.637 4.340 -0.000 0.000 0.261 309 L C -0.445 176.447 176.870 0.037 0.000 1.024 309 L CA -0.506 54.373 54.840 0.065 0.000 0.899 309 L CB 0.619 42.746 42.059 0.113 0.000 1.243 309 L HN -0.160 nan 8.230 nan 0.000 0.449 310 Q N 1.995 121.804 119.800 0.016 0.000 2.396 310 Q HA 0.077 4.416 4.340 -0.000 0.000 0.221 310 Q C 0.854 176.848 176.000 -0.010 0.000 1.025 310 Q CA -0.085 55.719 55.803 0.001 0.000 0.946 310 Q CB 0.872 29.605 28.738 -0.008 0.000 1.224 310 Q HN 0.596 nan 8.270 nan 0.000 0.539 311 K N 0.578 120.961 120.400 -0.028 0.000 2.057 311 K HA -0.154 4.166 4.320 -0.000 0.000 0.206 311 K C 1.754 178.320 176.600 -0.056 0.000 1.050 311 K CA 1.566 57.820 56.287 -0.055 0.000 0.935 311 K CB -0.002 32.455 32.500 -0.072 0.000 0.715 311 K HN 0.631 nan 8.250 nan 0.000 0.439 312 S N 0.872 116.547 115.700 -0.042 0.000 2.419 312 S HA -0.155 4.315 4.470 -0.000 0.000 0.235 312 S C 1.305 175.885 174.600 -0.033 0.000 1.019 312 S CA 1.460 59.637 58.200 -0.040 0.000 0.982 312 S CB -0.286 62.895 63.200 -0.032 0.000 0.789 312 S HN 0.328 nan 8.310 nan 0.000 0.490 313 D N 1.120 121.506 120.400 -0.025 0.000 2.269 313 D HA 0.074 4.714 4.640 -0.000 0.000 0.208 313 D C 1.776 178.072 176.300 -0.007 0.000 0.963 313 D CA 0.440 54.430 54.000 -0.016 0.000 0.864 313 D CB -0.157 40.638 40.800 -0.008 0.000 0.936 313 D HN 0.375 nan 8.370 nan 0.000 0.505 314 L N 0.503 121.715 121.223 -0.019 0.000 2.270 314 L HA -0.068 4.272 4.340 -0.000 0.000 0.210 314 L C 1.985 178.829 176.870 -0.045 0.000 1.104 314 L CA 0.585 55.412 54.840 -0.021 0.000 0.804 314 L CB 0.077 42.091 42.059 -0.076 0.000 0.937 314 L HN -0.100 nan 8.230 nan 0.000 0.450 315 S N -0.497 115.168 115.700 -0.057 0.000 2.345 315 S HA -0.169 4.301 4.470 -0.000 0.000 0.220 315 S C 1.796 176.380 174.600 -0.028 0.000 1.031 315 S CA 1.831 59.999 58.200 -0.053 0.000 0.996 315 S CB -0.402 62.766 63.200 -0.054 0.000 0.882 315 S HN 0.454 nan 8.310 nan 0.000 0.445 316 T N 3.321 117.860 114.554 -0.026 0.000 2.635 316 T HA -0.108 4.242 4.350 -0.000 0.000 0.267 316 T C 1.743 176.437 174.700 -0.010 0.000 1.040 316 T CA 1.281 63.366 62.100 -0.024 0.000 1.156 316 T CB -0.664 68.185 68.868 -0.031 0.000 0.863 316 T HN 0.204 nan 8.240 nan 0.000 0.430 317 L N 0.994 122.220 121.223 0.005 0.000 1.990 317 L HA -0.176 4.164 4.340 -0.000 0.000 0.213 317 L C 2.515 179.410 176.870 0.042 0.000 1.072 317 L CA 1.686 56.544 54.840 0.030 0.000 0.755 317 L CB -0.470 41.623 42.059 0.057 0.000 0.889 317 L HN 0.160 nan 8.230 nan 0.000 0.432 318 V N -0.257 119.682 119.914 0.041 0.000 2.407 318 V HA -0.290 3.829 4.120 -0.000 0.000 0.248 318 V C 2.655 178.773 176.094 0.040 0.000 1.055 318 V CA 2.034 64.366 62.300 0.054 0.000 1.049 318 V CB -0.791 31.052 31.823 0.034 0.000 0.662 318 V HN 0.487 nan 8.190 nan 0.000 0.455 319 R N 0.208 120.718 120.500 0.017 0.000 2.066 319 R HA -0.112 4.227 4.340 -0.000 0.000 0.232 319 R C 2.462 178.770 176.300 0.013 0.000 1.131 319 R CA 1.545 57.651 56.100 0.010 0.000 0.955 319 R CB -0.086 30.210 30.300 -0.006 0.000 0.851 319 R HN 0.435 nan 8.270 nan 0.000 0.432 320 R N -1.318 119.185 120.500 0.005 0.000 2.240 320 R HA 0.102 4.442 4.340 -0.000 0.000 0.203 320 R C 0.139 176.451 176.300 0.019 0.000 1.011 320 R CA 0.255 56.355 56.100 -0.000 0.000 1.007 320 R CB 0.509 30.794 30.300 -0.024 0.000 0.911 320 R HN 0.154 nan 8.270 nan 0.000 0.468 321 C N 1.681 121.005 119.300 0.040 0.000 3.188 321 C HA 0.261 4.721 4.460 -0.000 0.000 0.230 321 C C -1.439 173.602 174.990 0.086 0.000 1.239 321 C CA -1.302 57.750 59.018 0.057 0.000 1.494 321 C CB 1.356 29.132 27.740 0.060 0.000 1.798 321 C HN 0.233 nan 8.230 nan 0.000 0.458 322 P HA -0.059 nan 4.420 nan 0.000 0.233 322 P C 0.590 178.015 177.300 0.208 0.000 1.167 322 P CA 1.190 64.377 63.100 0.145 0.000 0.770 322 P CB 0.280 32.064 31.700 0.140 0.000 0.837 323 N N 0.031 118.809 118.700 0.129 0.000 2.322 323 N HA 0.100 4.839 4.740 -0.000 0.000 0.194 323 N C 0.652 176.234 175.510 0.119 0.000 1.126 323 N CA -0.020 53.080 53.050 0.084 0.000 0.845 323 N CB 0.173 38.646 38.487 -0.023 0.000 0.976 323 N HN 0.281 nan 8.380 nan 0.000 0.475 324 L N 1.306 122.621 121.223 0.154 0.000 2.559 324 L HA -0.003 4.336 4.340 -0.000 0.000 0.274 324 L C 1.380 178.360 176.870 0.183 0.000 1.205 324 L CA -0.120 54.816 54.840 0.159 0.000 0.907 324 L CB 0.797 42.946 42.059 0.150 0.000 1.153 324 L HN -0.110 nan 8.230 nan 0.000 0.490 325 V N 1.542 121.582 119.914 0.210 0.000 3.212 325 V HA 0.050 4.170 4.120 -0.000 0.000 0.244 325 V C 0.011 176.215 176.094 0.184 0.000 1.151 325 V CA 0.373 62.801 62.300 0.214 0.000 1.119 325 V CB -0.100 31.901 31.823 0.297 0.000 0.838 325 V HN 0.683 nan 8.190 nan 0.000 0.470 326 H N 0.136 119.296 119.070 0.149 0.000 2.547 326 H HA 0.738 5.294 4.556 -0.000 0.000 0.342 326 H C -1.107 174.276 175.328 0.091 0.000 1.048 326 H CA -0.504 55.632 56.048 0.148 0.000 1.204 326 H CB 1.943 31.780 29.762 0.126 0.000 1.493 326 H HN 0.083 nan 8.280 nan 0.000 0.511 327 L N 3.187 124.495 121.223 0.142 0.000 2.457 327 L HA 0.343 4.683 4.340 -0.000 0.000 0.266 327 L C -1.320 175.575 176.870 0.041 0.000 0.979 327 L CA -0.455 54.435 54.840 0.084 0.000 0.857 327 L CB 1.455 43.531 42.059 0.028 0.000 1.213 327 L HN 0.599 nan 8.230 nan 0.000 0.418 328 D N 5.146 125.597 120.400 0.084 0.000 2.373 328 D HA 0.339 4.979 4.640 -0.000 0.000 0.227 328 D C 0.008 176.348 176.300 0.067 0.000 1.091 328 D CA -0.052 53.990 54.000 0.070 0.000 0.840 328 D CB 1.216 42.077 40.800 0.102 0.000 1.060 328 D HN 0.664 nan 8.370 nan 0.000 0.502 329 L N 2.341 123.591 121.223 0.046 0.000 3.168 329 L HA 0.166 4.506 4.340 -0.000 0.000 0.277 329 L C 0.606 177.486 176.870 0.017 0.000 1.245 329 L CA -0.317 54.558 54.840 0.059 0.000 1.035 329 L CB 0.466 42.603 42.059 0.129 0.000 1.399 329 L HN 0.145 nan 8.230 nan 0.000 0.580 330 S N 0.884 116.592 115.700 0.013 0.000 2.561 330 S HA -0.085 4.384 4.470 -0.000 0.000 0.294 330 S C 0.576 175.141 174.600 -0.059 0.000 1.294 330 S CA 0.272 58.478 58.200 0.009 0.000 1.055 330 S CB 0.158 63.404 63.200 0.078 0.000 0.819 330 S HN 0.480 nan 8.310 nan 0.000 0.503 331 D N 0.245 120.596 120.400 -0.081 0.000 2.981 331 D HA -0.128 4.512 4.640 -0.000 0.000 0.223 331 D C -0.706 175.503 176.300 -0.152 0.000 1.151 331 D CA 0.743 54.661 54.000 -0.137 0.000 0.827 331 D CB -1.574 39.171 40.800 -0.091 0.000 1.101 331 D HN 0.456 nan 8.370 nan 0.000 0.426 332 S N 0.478 116.121 115.700 -0.094 0.000 3.940 332 S HA 0.247 4.717 4.470 -0.000 0.000 0.210 332 S C 1.745 176.331 174.600 -0.025 0.000 1.419 332 S CA -0.560 57.619 58.200 -0.036 0.000 0.912 332 S CB 1.328 64.544 63.200 0.027 0.000 1.489 332 S HN 0.144 nan 8.310 nan 0.000 0.469 333 V N 2.173 122.066 119.914 -0.035 0.000 2.511 333 V HA -0.280 3.840 4.120 -0.000 0.000 0.257 333 V C 2.198 178.311 176.094 0.032 0.000 1.088 333 V CA 1.776 64.080 62.300 0.006 0.000 1.098 333 V CB -0.524 31.329 31.823 0.050 0.000 0.674 333 V HN 0.689 nan 8.190 nan 0.000 0.470 334 M N -1.304 118.311 119.600 0.026 0.000 2.288 334 M HA 0.114 4.594 4.480 -0.000 0.000 0.266 334 M C 0.937 177.244 176.300 0.012 0.000 1.072 334 M CA 0.741 56.054 55.300 0.022 0.000 1.132 334 M CB -0.760 31.851 32.600 0.018 0.000 1.386 334 M HN 0.207 nan 8.290 nan 0.000 0.432 335 L N 1.670 122.905 121.223 0.020 0.000 2.559 335 L HA -0.032 4.308 4.340 -0.000 0.000 0.274 335 L C 0.547 177.417 176.870 0.001 0.000 1.205 335 L CA 0.544 55.395 54.840 0.018 0.000 0.907 335 L CB -0.209 41.897 42.059 0.078 0.000 1.153 335 L HN 0.163 nan 8.230 nan 0.000 0.490 336 K N 1.957 122.317 120.400 -0.067 0.000 2.303 336 K HA 0.225 4.545 4.320 -0.000 0.000 0.233 336 K C 0.918 177.315 176.600 -0.338 0.000 1.046 336 K CA -0.849 55.358 56.287 -0.133 0.000 0.895 336 K CB 0.873 33.298 32.500 -0.125 0.000 1.220 336 K HN 0.565 nan 8.250 nan 0.000 0.470 337 N N 0.992 119.364 118.700 -0.546 0.000 2.519 337 N HA -0.174 4.566 4.740 -0.000 0.000 0.186 337 N C 0.464 175.331 175.510 -1.073 0.000 1.062 337 N CA 1.293 53.513 53.050 -1.383 0.000 0.910 337 N CB -0.304 37.599 38.487 -0.973 0.000 0.958 337 N HN 0.589 nan 8.380 nan 0.000 0.445 338 D N -0.362 119.737 120.400 -0.501 0.000 2.358 338 D HA -0.023 4.617 4.640 -0.000 0.000 0.241 338 D C 0.728 176.854 176.300 -0.291 0.000 1.094 338 D CA -0.192 53.622 54.000 -0.310 0.000 0.907 338 D CB -0.842 39.846 40.800 -0.188 0.000 0.893 338 D HN 0.277 nan 8.370 nan 0.000 0.528 339 C N -0.675 118.413 119.300 -0.353 0.000 2.865 339 C HA 0.185 4.645 4.460 -0.000 0.000 0.280 339 C C 1.907 176.623 174.990 -0.456 0.000 1.255 339 C CA -0.492 58.314 59.018 -0.354 0.000 1.705 339 C CB -0.983 26.586 27.740 -0.285 0.000 2.080 339 C HN 0.207 nan 8.230 nan 0.000 0.591 340 F N 2.859 122.499 119.950 -0.516 0.000 2.250 340 F HA -0.178 4.348 4.527 -0.001 0.000 0.301 340 F C 2.578 177.580 175.800 -1.330 0.000 1.077 340 F CA 1.311 58.879 58.000 -0.721 0.000 1.348 340 F CB -1.451 37.303 39.000 -0.411 0.000 1.040 340 F HN 0.506 nan 8.300 nan 0.000 0.509 341 Q N -0.281 119.189 119.800 -0.551 0.000 2.437 341 Q HA -0.170 4.169 4.340 -0.000 0.000 0.210 341 Q C 1.465 177.317 176.000 -0.247 0.000 0.972 341 Q CA 1.372 56.995 55.803 -0.300 0.000 0.903 341 Q CB -0.300 28.407 28.738 -0.052 0.000 0.967 341 Q HN 0.269 nan 8.270 nan 0.000 0.486 342 E N 0.584 120.545 120.200 -0.398 0.000 2.127 342 E HA 0.073 4.423 4.350 -0.000 0.000 0.191 342 E C 1.277 177.765 176.600 -0.187 0.000 0.964 342 E CA 0.628 56.853 56.400 -0.292 0.000 0.832 342 E CB -0.099 29.364 29.700 -0.396 0.000 0.790 342 E HN 0.441 nan 8.360 nan 0.000 0.465 343 F N -0.450 119.395 119.950 -0.175 0.000 2.216 343 F HA -0.138 4.389 4.527 -0.001 0.000 0.300 343 F C 1.704 177.518 175.800 0.025 0.000 1.085 343 F CA 0.464 58.399 58.000 -0.108 0.000 1.326 343 F CB -0.242 38.648 39.000 -0.184 0.000 1.027 343 F HN 0.052 nan 8.300 nan 0.000 0.497 344 F N 0.158 120.209 119.950 0.169 0.000 2.269 344 F HA -0.214 4.313 4.527 -0.000 0.000 0.301 344 F C 2.111 177.936 175.800 0.042 0.000 1.082 344 F CA 0.480 58.529 58.000 0.082 0.000 1.360 344 F CB -0.504 38.533 39.000 0.062 0.000 1.041 344 F HN 0.020 nan 8.300 nan 0.000 0.512 345 Q N 0.560 120.483 119.800 0.205 0.000 2.482 345 Q HA 0.057 4.396 4.340 -0.000 0.000 0.209 345 Q C -0.074 175.985 176.000 0.098 0.000 0.961 345 Q CA 0.292 56.165 55.803 0.117 0.000 0.945 345 Q CB 0.083 28.866 28.738 0.074 0.000 1.012 345 Q HN 0.430 nan 8.270 nan 0.000 0.515 346 L N 1.567 122.864 121.223 0.124 0.000 2.277 346 L HA 0.262 4.602 4.340 -0.000 0.000 0.284 346 L C 0.423 177.300 176.870 0.012 0.000 1.028 346 L CA -0.464 54.439 54.840 0.105 0.000 0.835 346 L CB 0.886 43.037 42.059 0.154 0.000 1.215 346 L HN 0.074 nan 8.230 nan 0.000 0.425 347 N N 2.127 120.744 118.700 -0.138 0.000 2.314 347 N HA 0.034 4.774 4.740 -0.000 0.000 0.200 347 N C 0.128 175.199 175.510 -0.731 0.000 1.135 347 N CA 0.522 53.319 53.050 -0.421 0.000 0.835 347 N CB 0.480 38.642 38.487 -0.542 0.000 0.989 347 N HN 0.614 nan 8.380 nan 0.000 0.478 348 Y N -0.589 119.728 120.300 0.028 0.000 2.610 348 Y HA 0.248 4.798 4.550 -0.000 0.000 0.254 348 Y C 0.302 176.199 175.900 -0.005 0.000 1.110 348 Y CA -0.844 57.264 58.100 0.013 0.000 1.238 348 Y CB 0.467 38.944 38.460 0.029 0.000 1.322 348 Y HN -0.084 nan 8.280 nan 0.000 0.547 349 L N 3.218 124.492 121.223 0.085 0.000 2.534 349 L HA 0.052 4.391 4.340 -0.000 0.000 0.271 349 L C 0.822 177.640 176.870 -0.086 0.000 1.178 349 L CA 1.043 55.894 54.840 0.018 0.000 0.907 349 L CB 0.578 42.645 42.059 0.013 0.000 1.164 349 L HN 0.481 nan 8.230 nan 0.000 0.482 350 Q N 2.392 122.068 119.800 -0.208 0.000 2.113 350 Q HA 0.290 4.630 4.340 -0.000 0.000 0.225 350 Q C -0.867 174.687 176.000 -0.744 0.000 0.786 350 Q CA -0.260 55.290 55.803 -0.422 0.000 0.989 350 Q CB 0.398 28.864 28.738 -0.453 0.000 1.174 350 Q HN 0.788 nan 8.270 nan 0.000 0.470 351 H N 0.416 119.356 119.070 -0.217 0.000 3.096 351 H HA 0.557 5.113 4.556 -0.000 0.000 0.335 351 H C -2.044 173.177 175.328 -0.177 0.000 0.990 351 H CA -0.686 55.223 56.048 -0.232 0.000 1.393 351 H CB 2.125 31.633 29.762 -0.424 0.000 1.742 351 H HN 0.096 nan 8.280 nan 0.000 0.501 352 L N 1.931 123.109 121.223 -0.075 0.000 2.388 352 L HA 0.738 5.078 4.340 -0.000 0.000 0.264 352 L C -0.906 175.892 176.870 -0.120 0.000 0.998 352 L CA -0.205 54.531 54.840 -0.173 0.000 0.817 352 L CB 2.342 44.182 42.059 -0.365 0.000 1.338 352 L HN 0.555 nan 8.230 nan 0.000 0.414 353 S N 4.275 119.913 115.700 -0.103 0.000 2.538 353 S HA 0.700 5.170 4.470 -0.000 0.000 0.288 353 S C -0.160 174.413 174.600 -0.044 0.000 1.108 353 S CA -0.385 57.793 58.200 -0.038 0.000 0.971 353 S CB 1.392 64.611 63.200 0.032 0.000 1.041 353 S HN 0.636 nan 8.310 nan 0.000 0.483 354 L N 1.373 122.584 121.223 -0.021 0.000 3.519 354 L HA 0.253 4.592 4.340 -0.000 0.000 0.323 354 L C 0.182 177.058 176.870 0.010 0.000 1.289 354 L CA -0.157 54.687 54.840 0.007 0.000 1.039 354 L CB 0.753 42.827 42.059 0.024 0.000 1.438 354 L HN 0.468 nan 8.230 nan 0.000 0.619 355 S N 0.758 116.482 115.700 0.040 0.000 2.561 355 S HA 0.041 4.510 4.470 -0.000 0.000 0.294 355 S C 0.966 175.544 174.600 -0.036 0.000 1.294 355 S CA 0.196 58.439 58.200 0.071 0.000 1.055 355 S CB 0.248 63.547 63.200 0.164 0.000 0.819 355 S HN 0.447 nan 8.310 nan 0.000 0.503 356 R N -0.782 119.655 120.500 -0.105 0.000 3.741 356 R HA -0.191 4.149 4.340 -0.000 0.000 0.292 356 R C -0.682 175.142 176.300 -0.794 0.000 1.176 356 R CA 0.620 56.405 56.100 -0.525 0.000 0.794 356 R CB -2.510 27.601 30.300 -0.314 0.000 1.213 356 R HN 0.568 nan 8.270 nan 0.000 0.494 357 C N 1.130 120.209 119.300 -0.369 0.000 2.225 357 C HA 0.194 4.653 4.460 -0.000 0.000 0.437 357 C C 1.532 176.449 174.990 -0.121 0.000 1.039 357 C CA -0.659 58.230 59.018 -0.216 0.000 1.406 357 C CB -1.409 26.317 27.740 -0.024 0.000 1.548 357 C HN 0.427 nan 8.230 nan 0.000 0.515 358 Y N -0.348 119.991 120.300 0.065 0.000 2.538 358 Y HA -0.172 4.377 4.550 -0.000 0.000 0.287 358 Y C 1.527 177.453 175.900 0.043 0.000 1.157 358 Y CA 0.600 58.732 58.100 0.053 0.000 1.338 358 Y CB -0.200 38.287 38.460 0.046 0.000 0.970 358 Y HN 0.558 nan 8.280 nan 0.000 0.564 359 D N -0.105 120.381 120.400 0.143 0.000 2.363 359 D HA 0.166 4.805 4.640 -0.000 0.000 0.214 359 D C -0.138 176.195 176.300 0.055 0.000 1.093 359 D CA 0.260 54.313 54.000 0.088 0.000 0.837 359 D CB 0.137 40.969 40.800 0.054 0.000 0.948 359 D HN 0.231 nan 8.370 nan 0.000 0.507 360 I N 1.990 122.610 120.570 0.082 0.000 2.282 360 I HA 0.171 4.341 4.170 -0.000 0.000 0.290 360 I C 0.186 176.363 176.117 0.100 0.000 1.090 360 I CA -0.556 60.796 61.300 0.087 0.000 1.231 360 I CB 0.717 38.826 38.000 0.182 0.000 1.434 360 I HN -0.201 nan 8.210 nan 0.000 0.487 361 I N 8.824 129.431 120.570 0.061 0.000 2.821 361 I HA -0.070 4.100 4.170 -0.000 0.000 0.294 361 I C -1.120 175.053 176.117 0.093 0.000 1.210 361 I CA -0.869 60.470 61.300 0.065 0.000 1.430 361 I CB 0.207 38.229 38.000 0.036 0.000 1.356 361 I HN 0.359 nan 8.210 nan 0.000 0.563 362 P HA -0.222 nan 4.420 nan 0.000 0.218 362 P C 1.015 178.363 177.300 0.080 0.000 1.152 362 P CA 1.372 64.519 63.100 0.079 0.000 0.857 362 P CB 0.240 31.975 31.700 0.058 0.000 0.787 363 E N -1.192 119.052 120.200 0.073 0.000 2.047 363 E HA -0.140 4.210 4.350 -0.000 0.000 0.191 363 E C 2.074 178.740 176.600 0.111 0.000 0.987 363 E CA 1.867 58.310 56.400 0.072 0.000 0.799 363 E CB -1.702 28.030 29.700 0.054 0.000 0.752 363 E HN 0.367 nan 8.360 nan 0.000 0.449 364 T N -0.283 114.351 114.554 0.135 0.000 2.822 364 T HA -0.175 4.174 4.350 -0.000 0.000 0.270 364 T C 1.821 176.751 174.700 0.383 0.000 1.064 364 T CA 0.897 63.126 62.100 0.215 0.000 1.131 364 T CB -0.496 68.449 68.868 0.127 0.000 0.858 364 T HN 0.091 nan 8.240 nan 0.000 0.483 365 L N -0.234 121.164 121.223 0.292 0.000 2.450 365 L HA -0.021 4.318 4.340 -0.000 0.000 0.225 365 L C 2.457 179.391 176.870 0.107 0.000 1.145 365 L CA 0.500 55.452 54.840 0.187 0.000 0.801 365 L CB -0.643 41.465 42.059 0.083 0.000 0.924 365 L HN 0.289 nan 8.230 nan 0.000 0.447 366 L N -0.168 121.132 121.223 0.129 0.000 2.201 366 L HA -0.157 4.182 4.340 -0.000 0.000 0.212 366 L C 2.267 179.212 176.870 0.124 0.000 1.105 366 L CA 1.601 56.496 54.840 0.092 0.000 0.775 366 L CB -0.379 41.728 42.059 0.079 0.000 0.913 366 L HN 0.212 nan 8.230 nan 0.000 0.440 367 E N -0.472 119.860 120.200 0.219 0.000 2.204 367 E HA -0.200 4.150 4.350 -0.000 0.000 0.195 367 E C 2.009 178.786 176.600 0.294 0.000 0.990 367 E CA 0.995 57.577 56.400 0.304 0.000 0.821 367 E CB -0.267 29.758 29.700 0.542 0.000 0.750 367 E HN 0.504 nan 8.360 nan 0.000 0.477 368 L N 0.455 121.757 121.223 0.132 0.000 2.642 368 L HA -0.072 4.268 4.340 -0.000 0.000 0.236 368 L C 2.072 179.009 176.870 0.110 0.000 1.169 368 L CA 0.374 55.254 54.840 0.067 0.000 0.851 368 L CB -0.414 41.531 42.059 -0.190 0.000 0.968 368 L HN 0.200 nan 8.230 nan 0.000 0.453 369 G N -0.902 107.959 108.800 0.101 0.000 2.813 369 G HA2 -0.105 3.854 3.960 -0.000 0.000 0.209 369 G HA3 -0.105 3.854 3.960 -0.000 0.000 0.209 369 G C 1.386 176.275 174.900 -0.018 0.000 1.150 369 G CA -0.093 45.071 45.100 0.105 0.000 0.785 369 G HN 0.258 nan 8.290 nan 0.000 0.535 370 E N 0.583 120.722 120.200 -0.102 0.000 2.152 370 E HA 0.003 4.353 4.350 -0.000 0.000 0.192 370 E C 1.075 177.518 176.600 -0.263 0.000 0.983 370 E CA 0.089 56.279 56.400 -0.351 0.000 0.818 370 E CB 0.020 29.122 29.700 -0.997 0.000 0.758 370 E HN 0.437 nan 8.360 nan 0.000 0.467 371 I N 3.606 124.145 120.570 -0.052 0.000 2.574 371 I HA -0.035 4.135 4.170 -0.000 0.000 0.291 371 I C -1.468 174.606 176.117 -0.072 0.000 1.131 371 I CA -1.083 60.233 61.300 0.027 0.000 1.352 371 I CB 0.316 38.399 38.000 0.138 0.000 1.431 371 I HN -0.141 nan 8.210 nan 0.000 0.543 372 P HA -0.172 nan 4.420 nan 0.000 0.215 372 P C 1.593 178.803 177.300 -0.150 0.000 1.157 372 P CA 1.412 64.413 63.100 -0.165 0.000 0.868 372 P CB 0.008 31.620 31.700 -0.146 0.000 0.788 373 T N -2.920 111.567 114.554 -0.112 0.000 3.007 373 T HA -0.049 4.301 4.350 -0.000 0.000 0.270 373 T C 0.810 175.449 174.700 -0.101 0.000 1.107 373 T CA 0.012 62.054 62.100 -0.097 0.000 1.118 373 T CB -1.004 67.812 68.868 -0.088 0.000 0.889 373 T HN -0.133 nan 8.240 nan 0.000 0.506 374 L N 2.015 123.189 121.223 -0.081 0.000 2.628 374 L HA 0.141 4.481 4.340 -0.000 0.000 0.274 374 L C 1.055 177.898 176.870 -0.044 0.000 1.209 374 L CA 0.443 55.234 54.840 -0.081 0.000 0.930 374 L CB 0.313 42.360 42.059 -0.019 0.000 1.183 374 L HN -0.014 nan 8.230 nan 0.000 0.492 375 K N 2.068 122.373 120.400 -0.158 0.000 2.399 375 K HA 0.234 4.554 4.320 -0.000 0.000 0.196 375 K C 0.226 176.793 176.600 -0.057 0.000 1.117 375 K CA 0.783 57.010 56.287 -0.101 0.000 0.965 375 K CB 0.457 32.846 32.500 -0.185 0.000 0.983 375 K HN 0.790 nan 8.250 nan 0.000 0.531 376 T N -1.053 113.459 114.554 -0.070 0.000 2.894 376 T HA 0.627 4.977 4.350 -0.000 0.000 0.309 376 T C -1.316 173.355 174.700 -0.049 0.000 1.208 376 T CA -0.912 61.186 62.100 -0.002 0.000 1.016 376 T CB 1.862 70.817 68.868 0.146 0.000 1.192 376 T HN -0.068 nan 8.240 nan 0.000 0.491 377 L N 1.451 122.625 121.223 -0.082 0.000 2.436 377 L HA 0.615 4.955 4.340 -0.000 0.000 0.268 377 L C -1.514 175.270 176.870 -0.144 0.000 0.974 377 L CA -0.407 54.360 54.840 -0.121 0.000 0.826 377 L CB 2.255 44.224 42.059 -0.151 0.000 1.291 377 L HN 0.727 nan 8.230 nan 0.000 0.406 378 Q N 5.399 125.128 119.800 -0.118 0.000 2.339 378 Q HA 0.530 4.869 4.340 -0.000 0.000 0.268 378 Q C -0.783 175.152 176.000 -0.109 0.000 1.027 378 Q CA -0.373 55.353 55.803 -0.128 0.000 0.759 378 Q CB 2.299 31.079 28.738 0.071 0.000 1.244 378 Q HN 0.580 nan 8.270 nan 0.000 0.464 379 V N -0.330 119.436 119.914 -0.247 0.000 2.405 379 V HA 0.484 4.604 4.120 -0.000 0.000 0.253 379 V C -0.366 175.650 176.094 -0.130 0.000 0.963 379 V CA -0.735 61.492 62.300 -0.121 0.000 1.003 379 V CB -0.623 31.137 31.823 -0.105 0.000 1.251 379 V HN 0.347 nan 8.190 nan 0.000 0.520 380 F N 1.662 121.575 119.950 -0.062 0.000 2.380 380 F HA 0.716 5.243 4.527 -0.000 0.000 0.325 380 F C 1.730 177.543 175.800 0.021 0.000 1.136 380 F CA 1.065 59.039 58.000 -0.042 0.000 1.171 380 F CB 1.107 40.054 39.000 -0.089 0.000 1.230 380 F HN 0.609 nan 8.300 nan 0.000 0.554 381 G N 1.349 110.315 108.800 0.276 0.000 2.189 381 G HA2 -0.338 3.622 3.960 -0.000 0.000 0.267 381 G HA3 -0.338 3.622 3.960 -0.000 0.000 0.267 381 G C 0.607 175.673 174.900 0.276 0.000 0.975 381 G CA 0.809 46.065 45.100 0.260 0.000 0.644 381 G HN 0.914 nan 8.290 nan 0.000 0.537 382 I N -3.170 117.517 120.570 0.195 0.000 4.442 382 I HA 0.586 4.756 4.170 -0.000 0.000 0.331 382 I C -0.122 176.059 176.117 0.107 0.000 1.364 382 I CA -0.438 60.975 61.300 0.189 0.000 1.207 382 I CB 0.989 39.099 38.000 0.183 0.000 1.298 382 I HN -0.067 nan 8.210 nan 0.000 0.463 383 V N 3.462 123.416 119.914 0.067 0.000 2.350 383 V HA 0.485 4.605 4.120 -0.000 0.000 0.285 383 V C -2.272 173.836 176.094 0.024 0.000 1.014 383 V CA -1.415 60.902 62.300 0.028 0.000 0.831 383 V CB 1.032 32.841 31.823 -0.023 0.000 1.000 383 V HN 0.070 nan 8.190 nan 0.000 0.433 384 P HA 0.085 nan 4.420 nan 0.000 0.265 384 P C 0.699 178.005 177.300 0.010 0.000 1.193 384 P CA -0.001 63.113 63.100 0.023 0.000 0.765 384 P CB 0.588 32.300 31.700 0.021 0.000 0.823 385 D N 2.576 122.984 120.400 0.014 0.000 2.203 385 D HA -0.160 4.480 4.640 -0.000 0.000 0.199 385 D C 1.979 178.278 176.300 -0.001 0.000 0.997 385 D CA 1.980 55.984 54.000 0.006 0.000 0.863 385 D CB -0.275 40.534 40.800 0.014 0.000 0.928 385 D HN 0.570 nan 8.370 nan 0.000 0.458 386 G N 0.465 109.267 108.800 0.003 0.000 2.424 386 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.214 386 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.214 386 G C 1.689 176.587 174.900 -0.003 0.000 1.202 386 G CA 1.784 46.885 45.100 0.000 0.000 0.793 386 G HN 0.376 nan 8.290 nan 0.000 0.534 387 T N -0.217 114.338 114.554 0.000 0.000 2.897 387 T HA -0.080 4.270 4.350 -0.000 0.000 0.271 387 T C 2.270 176.962 174.700 -0.013 0.000 1.084 387 T CA 1.329 63.428 62.100 -0.000 0.000 1.123 387 T CB -0.165 68.709 68.868 0.009 0.000 0.865 387 T HN 0.091 nan 8.240 nan 0.000 0.496 388 L N 0.563 121.773 121.223 -0.022 0.000 2.072 388 L HA 0.140 4.480 4.340 -0.000 0.000 0.205 388 L C 2.546 179.387 176.870 -0.049 0.000 1.079 388 L CA 1.703 56.515 54.840 -0.046 0.000 0.752 388 L CB -0.837 41.186 42.059 -0.059 0.000 0.906 388 L HN 0.106 nan 8.230 nan 0.000 0.436 389 Q N -0.789 118.991 119.800 -0.034 0.000 2.230 389 Q HA 0.001 4.340 4.340 -0.000 0.000 0.202 389 Q C 2.095 178.077 176.000 -0.029 0.000 0.963 389 Q CA 1.261 57.045 55.803 -0.032 0.000 0.866 389 Q CB -0.193 28.532 28.738 -0.021 0.000 0.931 389 Q HN 0.531 nan 8.270 nan 0.000 0.452 390 L N -0.890 120.320 121.223 -0.022 0.000 2.179 390 L HA -0.096 4.244 4.340 -0.000 0.000 0.208 390 L C 1.857 178.713 176.870 -0.024 0.000 1.096 390 L CA 0.341 55.170 54.840 -0.017 0.000 0.779 390 L CB -0.325 41.729 42.059 -0.007 0.000 0.922 390 L HN 0.256 nan 8.230 nan 0.000 0.443 391 L N 0.202 121.406 121.223 -0.032 0.000 2.141 391 L HA -0.170 4.170 4.340 -0.000 0.000 0.209 391 L C 2.381 179.210 176.870 -0.069 0.000 1.094 391 L CA 1.766 56.581 54.840 -0.043 0.000 0.763 391 L CB -0.430 41.601 42.059 -0.048 0.000 0.908 391 L HN 0.099 nan 8.230 nan 0.000 0.437 392 K N -0.920 119.437 120.400 -0.073 0.000 2.228 392 K HA -0.071 4.248 4.320 -0.000 0.000 0.202 392 K C 1.819 178.375 176.600 -0.073 0.000 1.051 392 K CA 0.758 56.991 56.287 -0.089 0.000 0.960 392 K CB 0.013 32.466 32.500 -0.078 0.000 0.743 392 K HN 0.318 nan 8.250 nan 0.000 0.458 393 E N 1.069 121.241 120.200 -0.048 0.000 2.028 393 E HA -0.142 4.208 4.350 -0.000 0.000 0.191 393 E C 2.151 178.734 176.600 -0.029 0.000 0.988 393 E CA 1.228 57.609 56.400 -0.032 0.000 0.799 393 E CB -0.298 29.390 29.700 -0.019 0.000 0.755 393 E HN 0.272 nan 8.360 nan 0.000 0.447 394 A N 1.325 124.129 122.820 -0.027 0.000 1.902 394 A HA -0.081 4.239 4.320 -0.000 0.000 0.217 394 A C 1.723 179.295 177.584 -0.019 0.000 1.181 394 A CA 0.900 52.929 52.037 -0.013 0.000 0.623 394 A CB -0.352 18.646 19.000 -0.004 0.000 0.818 394 A HN 0.162 nan 8.150 nan 0.000 0.443 395 L N 0.630 121.798 121.223 -0.091 0.000 2.719 395 L HA 0.219 4.559 4.340 -0.000 0.000 0.236 395 L C -1.674 174.990 176.870 -0.344 0.000 1.221 395 L CA -1.269 53.423 54.840 -0.246 0.000 1.048 395 L CB 0.843 42.700 42.059 -0.338 0.000 1.364 395 L HN 0.215 nan 8.230 nan 0.000 0.447 396 P HA -0.185 nan 4.420 nan 0.000 0.225 396 P C 0.948 178.191 177.300 -0.095 0.000 1.148 396 P CA 1.386 64.429 63.100 -0.095 0.000 0.779 396 P CB 0.001 31.692 31.700 -0.016 0.000 0.780 397 H N -1.938 117.114 119.070 -0.030 0.000 2.502 397 H HA 0.204 4.759 4.556 -0.001 0.000 0.283 397 H C 1.256 176.561 175.328 -0.039 0.000 1.015 397 H CA -0.143 55.885 56.048 -0.033 0.000 1.298 397 H CB -1.078 28.661 29.762 -0.038 0.000 1.411 397 H HN 0.055 nan 8.280 nan 0.000 0.556 398 L N 0.405 121.327 121.223 -0.502 0.000 2.469 398 L HA 0.266 4.606 4.340 -0.000 0.000 0.253 398 L C -0.137 176.640 176.870 -0.155 0.000 1.143 398 L CA -0.732 53.940 54.840 -0.279 0.000 0.804 398 L CB 0.923 42.765 42.059 -0.361 0.000 1.214 398 L HN 0.215 nan 8.230 nan 0.000 0.476 399 Q N 1.405 121.144 119.800 -0.103 0.000 2.464 399 Q HA 0.478 4.818 4.340 -0.000 0.000 0.256 399 Q C -1.246 174.697 176.000 -0.096 0.000 1.020 399 Q CA 0.046 55.808 55.803 -0.068 0.000 0.716 399 Q CB 0.964 29.694 28.738 -0.013 0.000 1.230 399 Q HN 0.362 nan 8.270 nan 0.000 0.494 400 I N 2.609 123.098 120.570 -0.135 0.000 2.385 400 I HA 0.296 4.466 4.170 -0.000 0.000 0.294 400 I C 0.144 176.100 176.117 -0.268 0.000 0.988 400 I CA -0.898 60.286 61.300 -0.193 0.000 1.265 400 I CB 1.196 39.080 38.000 -0.193 0.000 1.388 400 I HN 0.628 nan 8.210 nan 0.000 0.480 401 N N 3.263 121.687 118.700 -0.460 0.000 2.707 401 N HA -0.201 4.539 4.740 -0.000 0.000 0.253 401 N C 0.831 176.159 175.510 -0.303 0.000 0.998 401 N CA 1.061 53.567 53.050 -0.907 0.000 0.751 401 N CB -1.058 36.631 38.487 -1.330 0.000 0.920 401 N HN 0.942 nan 8.380 nan 0.000 0.539 402 C N -2.610 116.639 119.300 -0.085 0.000 2.590 402 C HA 0.344 4.804 4.460 -0.000 0.000 0.272 402 C C 1.123 176.202 174.990 0.148 0.000 1.338 402 C CA 0.314 59.360 59.018 0.048 0.000 1.746 402 C CB -0.524 27.231 27.740 0.025 0.000 2.020 402 C HN 0.547 nan 8.230 nan 0.000 0.531 403 S N -0.837 114.967 115.700 0.174 0.000 2.571 403 S HA 0.545 5.015 4.470 -0.000 0.000 0.284 403 S C -0.511 174.114 174.600 0.041 0.000 1.128 403 S CA -0.334 57.966 58.200 0.167 0.000 0.970 403 S CB 0.797 64.076 63.200 0.131 0.000 1.039 403 S HN 0.450 nan 8.310 nan 0.000 0.485 404 H N 1.227 120.214 119.070 -0.139 0.000 2.520 404 H HA 0.420 4.976 4.556 -0.001 0.000 0.279 404 H C -0.531 174.326 175.328 -0.785 0.000 0.990 404 H CA 0.695 56.344 56.048 -0.666 0.000 1.288 404 H CB 0.146 29.303 29.762 -1.008 0.000 1.446 404 H HN 0.573 nan 8.280 nan 0.000 0.538 405 F N -0.559 119.423 119.950 0.054 0.000 2.507 405 F HA 0.334 4.860 4.527 -0.000 0.000 0.327 405 F C 0.866 176.685 175.800 0.031 0.000 1.068 405 F CA -1.119 56.893 58.000 0.020 0.000 0.965 405 F CB 1.265 40.263 39.000 -0.002 0.000 1.192 405 F HN -0.235 nan 8.300 nan 0.000 0.476 406 T N -0.414 114.264 114.554 0.206 0.000 2.868 406 T HA 0.313 4.663 4.350 -0.000 0.000 0.292 406 T C 0.888 175.665 174.700 0.127 0.000 1.028 406 T CA 0.306 62.494 62.100 0.146 0.000 1.059 406 T CB 0.664 69.615 68.868 0.139 0.000 0.991 406 T HN 0.871 nan 8.240 nan 0.000 0.531 407 T N 0.845 115.453 114.554 0.089 0.000 2.958 407 T HA 0.325 4.674 4.350 -0.000 0.000 0.256 407 T C 0.967 175.691 174.700 0.040 0.000 0.983 407 T CA -0.295 61.835 62.100 0.050 0.000 0.924 407 T CB -0.291 68.596 68.868 0.031 0.000 1.136 407 T HN 0.592 nan 8.240 nan 0.000 0.506 408 I N 3.043 123.639 120.570 0.043 0.000 2.978 408 I HA 0.144 4.314 4.170 -0.000 0.000 0.293 408 I C 1.187 177.368 176.117 0.107 0.000 1.218 408 I CA 0.861 62.185 61.300 0.040 0.000 1.393 408 I CB -0.372 37.668 38.000 0.067 0.000 1.394 408 I HN 0.589 nan 8.210 nan 0.000 0.541 409 A N 4.861 127.775 122.820 0.157 0.000 2.791 409 A HA -0.188 4.131 4.320 -0.000 0.000 0.292 409 A C 0.279 178.043 177.584 0.300 0.000 1.487 409 A CA 0.522 52.739 52.037 0.299 0.000 0.760 409 A CB -1.255 17.881 19.000 0.227 0.000 1.031 409 A HN 0.660 nan 8.150 nan 0.000 0.503 410 R N -1.199 119.394 120.500 0.154 0.000 2.229 410 R HA 0.408 4.748 4.340 -0.000 0.000 0.332 410 R C -1.828 174.154 176.300 -0.531 0.000 0.989 410 R CA -2.164 53.876 56.100 -0.100 0.000 0.842 410 R CB 0.662 30.911 30.300 -0.085 0.000 1.119 410 R HN 0.227 nan 8.270 nan 0.000 0.456 411 P HA -0.149 nan 4.420 nan 0.000 0.215 411 P C 0.215 176.963 177.300 -0.921 0.000 1.157 411 P CA 1.658 63.730 63.100 -1.713 0.000 0.874 411 P CB 0.337 31.379 31.700 -1.097 0.000 0.790 412 T N -3.517 110.724 114.554 -0.521 0.000 2.909 412 T HA 0.673 5.023 4.350 -0.000 0.000 0.299 412 T C -0.706 173.855 174.700 -0.231 0.000 1.073 412 T CA -0.826 61.080 62.100 -0.324 0.000 0.999 412 T CB 1.501 70.214 68.868 -0.259 0.000 1.098 412 T HN -0.206 nan 8.240 nan 0.000 0.477 413 I N 2.067 122.536 120.570 -0.167 0.000 2.448 413 I HA 0.675 4.845 4.170 -0.000 0.000 0.281 413 I C 0.660 176.709 176.117 -0.114 0.000 1.027 413 I CA -0.267 60.958 61.300 -0.125 0.000 1.111 413 I CB 1.014 38.969 38.000 -0.076 0.000 1.236 413 I HN 1.313 nan 8.210 nan 0.000 0.452 414 G N 5.220 113.937 108.800 -0.138 0.000 2.331 414 G HA2 -0.057 3.902 3.960 -0.000 0.000 0.402 414 G HA3 -0.057 3.902 3.960 -0.000 0.000 0.402 414 G C -1.889 172.934 174.900 -0.130 0.000 1.275 414 G CA -0.962 44.065 45.100 -0.122 0.000 1.003 414 G HN 0.471 nan 8.290 nan 0.000 0.500 415 N N 0.430 119.067 118.700 -0.105 0.000 2.240 415 N HA 0.562 5.302 4.740 -0.000 0.000 0.302 415 N C 0.603 176.067 175.510 -0.076 0.000 1.106 415 N CA -0.089 52.903 53.050 -0.098 0.000 0.778 415 N CB 2.148 40.579 38.487 -0.094 0.000 1.431 415 N HN 1.143 nan 8.380 nan 0.000 0.479 416 K N -0.238 120.119 120.400 -0.072 0.000 3.529 416 K HA -0.176 4.143 4.320 -0.000 0.000 0.313 416 K C -0.485 176.078 176.600 -0.060 0.000 1.316 416 K CA 1.407 57.659 56.287 -0.059 0.000 0.988 416 K CB -0.335 32.135 32.500 -0.050 0.000 1.252 416 K HN 0.433 nan 8.250 nan 0.000 0.438 417 K N 1.194 121.552 120.400 -0.071 0.000 2.726 417 K HA 0.126 4.446 4.320 -0.000 0.000 0.209 417 K C 0.157 176.705 176.600 -0.088 0.000 1.082 417 K CA 0.243 56.487 56.287 -0.072 0.000 1.081 417 K CB -0.207 32.252 32.500 -0.069 0.000 0.830 417 K HN 0.591 nan 8.250 nan 0.000 0.470 418 N N 0.135 118.781 118.700 -0.090 0.000 2.229 418 N HA -0.108 4.632 4.740 -0.000 0.000 0.242 418 N C 0.203 175.656 175.510 -0.096 0.000 1.327 418 N CA -0.531 52.456 53.050 -0.103 0.000 0.896 418 N CB 0.276 38.707 38.487 -0.094 0.000 1.129 418 N HN 0.103 nan 8.380 nan 0.000 0.490 419 Q N -0.774 118.964 119.800 -0.104 0.000 2.411 419 Q HA -0.279 4.061 4.340 -0.000 0.000 0.305 419 Q C -0.600 175.354 176.000 -0.076 0.000 1.273 419 Q CA 1.267 57.018 55.803 -0.087 0.000 0.895 419 Q CB -1.143 27.553 28.738 -0.070 0.000 1.198 419 Q HN 0.817 nan 8.270 nan 0.000 0.470 420 E N 0.419 120.563 120.200 -0.093 0.000 3.105 420 E HA 0.211 4.561 4.350 -0.000 0.000 0.198 420 E C 0.168 176.713 176.600 -0.092 0.000 0.976 420 E CA -0.356 56.000 56.400 -0.074 0.000 1.219 420 E CB 0.214 29.872 29.700 -0.071 0.000 1.081 420 E HN 0.560 nan 8.360 nan 0.000 0.464 421 I N 2.184 122.690 120.570 -0.108 0.000 3.311 421 I HA -0.234 3.935 4.170 -0.000 0.000 0.304 421 I C -0.245 175.901 176.117 0.049 0.000 1.245 421 I CA 0.792 62.010 61.300 -0.136 0.000 1.369 421 I CB -0.140 37.844 38.000 -0.028 0.000 1.433 421 I HN 0.576 nan 8.210 nan 0.000 0.525 422 W N 6.578 127.863 121.300 -0.026 0.000 6.170 422 W HA -0.257 4.403 4.660 -0.001 0.000 0.394 422 W C 1.300 177.789 176.519 -0.051 0.000 1.480 422 W CA 0.925 58.258 57.345 -0.021 0.000 1.027 422 W CB -2.103 27.370 29.460 0.020 0.000 2.638 422 W HN 1.054 nan 8.180 nan 0.000 1.547 423 G N -1.348 107.500 108.800 0.081 0.000 2.284 423 G HA2 -0.339 3.621 3.960 -0.000 0.000 0.247 423 G HA3 -0.339 3.621 3.960 -0.000 0.000 0.247 423 G C 0.032 174.933 174.900 0.003 0.000 1.012 423 G CA 0.111 45.232 45.100 0.035 0.000 0.618 423 G HN 0.212 nan 8.290 nan 0.000 0.521 424 I N 2.106 122.676 120.570 -0.001 0.000 2.436 424 I HA 0.259 4.428 4.170 -0.000 0.000 0.289 424 I C 0.782 176.883 176.117 -0.027 0.000 1.083 424 I CA 0.192 61.476 61.300 -0.028 0.000 1.372 424 I CB 1.134 39.106 38.000 -0.045 0.000 1.408 424 I HN 0.062 nan 8.210 nan 0.000 0.516 425 K N 5.973 126.355 120.400 -0.029 0.000 2.150 425 K HA 0.241 4.561 4.320 -0.000 0.000 0.261 425 K C -0.520 176.060 176.600 -0.033 0.000 1.127 425 K CA -0.431 55.836 56.287 -0.034 0.000 0.989 425 K CB -0.007 32.474 32.500 -0.033 0.000 1.475 425 K HN 0.594 nan 8.250 nan 0.000 0.391 426 C N 2.446 121.728 119.300 -0.030 0.000 2.298 426 C HA -0.047 4.413 4.460 -0.000 0.000 0.395 426 C C 2.107 177.071 174.990 -0.044 0.000 1.526 426 C CA -0.168 58.836 59.018 -0.023 0.000 1.458 426 C CB -0.687 27.045 27.740 -0.013 0.000 2.506 426 C HN 0.808 nan 8.230 nan 0.000 0.604 427 R N 1.834 122.301 120.500 -0.055 0.000 2.189 427 R HA 0.095 4.435 4.340 -0.000 0.000 0.218 427 R C 0.091 176.320 176.300 -0.119 0.000 1.074 427 R CA 0.962 57.013 56.100 -0.081 0.000 0.991 427 R CB 0.063 30.312 30.300 -0.086 0.000 0.883 427 R HN 0.727 nan 8.270 nan 0.000 0.457 428 L N 1.423 122.567 121.223 -0.131 0.000 2.305 428 L HA 0.307 4.647 4.340 -0.000 0.000 0.284 428 L C 0.062 176.878 176.870 -0.089 0.000 1.013 428 L CA -0.487 54.248 54.840 -0.175 0.000 0.819 428 L CB 1.942 43.804 42.059 -0.327 0.000 1.227 428 L HN 0.074 nan 8.230 nan 0.000 0.417 429 T N -0.291 114.216 114.554 -0.078 0.000 2.681 429 T HA 0.554 4.904 4.350 -0.000 0.000 0.296 429 T C -0.004 174.676 174.700 -0.034 0.000 1.157 429 T CA -0.714 61.361 62.100 -0.042 0.000 1.025 429 T CB 1.537 70.378 68.868 -0.046 0.000 1.441 429 T HN 0.393 nan 8.240 nan 0.000 0.504 430 L N 0.100 121.311 121.223 -0.020 0.000 3.086 430 L HA 0.290 4.630 4.340 -0.000 0.000 0.274 430 L C 1.244 178.104 176.870 -0.017 0.000 1.184 430 L CA -0.458 54.374 54.840 -0.013 0.000 1.002 430 L CB 0.331 42.394 42.059 0.007 0.000 1.383 430 L HN 0.689 nan 8.230 nan 0.000 0.582 431 Q N 0.000 119.785 119.800 -0.026 0.000 2.315 431 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 431 Q CA 0.000 55.787 55.803 -0.027 0.000 1.022 431 Q CB 0.000 28.717 28.738 -0.035 0.000 1.108 431 Q HN 0.000 nan 8.270 nan 0.000 0.481