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 1v3c_1_A DATA FIRST_RESID 142 DATA SEQUENCE ITHDVGIKPL NPDDFWRcTS GLPSLMKTPK IRLMPGPGLL AMPTTVDGcI DATA SEQUENCE RTPSLVINDL IYAYTSNLIT RGcQDIGKSY QVLQIGIITV NSDLVPDLNP DATA SEQUENCE RISHTFNIND NRKScSLALL NTDVYQLcST PKVDERSDYA SPGIEDIVLD DATA SEQUENCE IVNYDGSIST TRFKNNNISF DQPYAALYPS VGPGIYYKGK IIFLGYGGLE DATA SEQUENCE HPINENVIcN TTGcPGKTQR DcNQASHSPW FSDRRMVNSI IVVDKGLNSI DATA SEQUENCE PKLKVWTISM RQNYWGSEGR LLLLGNKIYI YTRSTSWHSK LQLGIIDITD DATA SEQUENCE YSDIRIKWTW HNVLSRPGNN EcPWGHScPD GcITGVYTDA YPLNPTGSIV DATA SEQUENCE SSVILDSQKS RVNPVITYST ATERVNELAI LNRTLSAGYT TTScITHYNK DATA SEQUENCE GYcFHIVEIN HKSLNTLQPM LFKTEIPKSc S 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 142 I HA 0.000 nan 4.170 nan 0.000 0.288 142 I C 0.000 176.035 176.117 -0.136 0.000 1.063 142 I CA 0.000 61.298 61.300 -0.004 0.000 1.566 142 I CB 0.000 37.983 38.000 -0.029 0.000 1.214 143 T N -1.463 113.026 114.554 -0.109 0.000 2.831 143 T HA 0.494 4.844 4.350 0.000 0.000 0.287 143 T C -0.424 174.233 174.700 -0.071 0.000 1.070 143 T CA -0.576 61.412 62.100 -0.187 0.000 1.010 143 T CB 1.311 70.054 68.868 -0.209 0.000 1.264 143 T HN 0.130 nan 8.240 nan 0.000 0.532 144 H N 1.146 120.220 119.070 0.007 0.000 2.998 144 H HA 0.171 4.728 4.556 0.000 0.000 0.353 144 H C 0.148 175.471 175.328 -0.007 0.000 1.099 144 H CA 0.288 56.342 56.048 0.011 0.000 1.393 144 H CB 0.072 29.842 29.762 0.015 0.000 1.343 144 H HN 0.619 nan 8.280 nan 0.000 0.609 145 D N 0.467 120.935 120.400 0.113 0.000 2.443 145 D HA -0.064 4.576 4.640 0.000 0.000 0.234 145 D C 0.328 176.646 176.300 0.030 0.000 1.172 145 D CA -0.069 53.958 54.000 0.045 0.000 0.878 145 D CB 0.757 41.551 40.800 -0.011 0.000 1.204 145 D HN 0.243 nan 8.370 nan 0.000 0.453 146 V N 2.006 121.940 119.914 0.033 0.000 2.617 146 V HA 0.316 4.436 4.120 0.000 0.000 0.304 146 V C 1.399 177.385 176.094 -0.180 0.000 1.040 146 V CA 1.564 63.864 62.300 0.000 0.000 1.149 146 V CB 0.328 32.198 31.823 0.078 0.000 0.914 146 V HN 0.870 nan 8.190 nan 0.000 0.487 147 G N 5.166 113.796 108.800 -0.282 0.000 2.213 147 G HA2 -0.204 3.756 3.960 0.000 0.000 0.236 147 G HA3 -0.204 3.756 3.960 0.000 0.000 0.236 147 G C 0.072 174.830 174.900 -0.237 0.000 0.991 147 G CA 0.117 44.835 45.100 -0.638 0.000 0.629 147 G HN 0.885 nan 8.290 nan 0.000 0.517 148 I N 1.846 122.369 120.570 -0.078 0.000 2.331 148 I HA 0.531 4.701 4.170 0.000 0.000 0.292 148 I C 0.385 176.511 176.117 0.015 0.000 0.998 148 I CA -0.412 60.871 61.300 -0.028 0.000 1.267 148 I CB 1.468 39.416 38.000 -0.087 0.000 1.386 148 I HN 0.379 nan 8.210 nan 0.000 0.476 149 K N 5.945 126.356 120.400 0.017 0.000 2.556 149 K HA 0.619 4.939 4.320 0.000 0.000 0.274 149 K C -3.139 173.487 176.600 0.043 0.000 0.966 149 K CA -2.033 54.292 56.287 0.062 0.000 0.865 149 K CB 1.661 34.214 32.500 0.088 0.000 1.444 149 K HN 0.019 nan 8.250 nan 0.000 0.433 150 P HA -0.043 nan 4.420 nan 0.000 0.264 150 P C -0.466 176.890 177.300 0.094 0.000 1.193 150 P CA -0.216 62.938 63.100 0.090 0.000 0.763 150 P CB 0.389 32.186 31.700 0.162 0.000 0.810 151 L N 3.866 125.107 121.223 0.030 0.000 2.559 151 L HA 0.032 4.372 4.340 0.000 0.000 0.274 151 L C 0.478 177.446 176.870 0.162 0.000 1.205 151 L CA 0.239 55.088 54.840 0.014 0.000 0.907 151 L CB -0.030 41.905 42.059 -0.207 0.000 1.153 151 L HN 0.319 nan 8.230 nan 0.000 0.490 152 N N 6.601 125.399 118.700 0.165 0.000 2.469 152 N HA 0.349 5.089 4.740 0.000 0.000 0.253 152 N C -2.032 173.628 175.510 0.250 0.000 0.970 152 N CA -2.379 50.787 53.050 0.193 0.000 0.940 152 N CB 1.665 40.260 38.487 0.178 0.000 1.128 152 N HN 0.278 nan 8.380 nan 0.000 0.503 153 P HA -0.183 nan 4.420 nan 0.000 0.218 153 P C 0.640 178.135 177.300 0.325 0.000 1.154 153 P CA 1.259 64.528 63.100 0.283 0.000 0.872 153 P CB 0.326 32.134 31.700 0.180 0.000 0.790 154 D N -1.277 119.275 120.400 0.253 0.000 2.218 154 D HA -0.143 4.498 4.640 0.000 0.000 0.204 154 D C 1.023 177.450 176.300 0.211 0.000 0.976 154 D CA 1.069 55.199 54.000 0.217 0.000 0.853 154 D CB -0.062 40.837 40.800 0.165 0.000 0.939 154 D HN 0.232 nan 8.370 nan 0.000 0.481 155 D N -0.882 119.660 120.400 0.236 0.000 2.379 155 D HA -0.040 4.600 4.640 0.000 0.000 0.218 155 D C 1.638 178.098 176.300 0.268 0.000 1.006 155 D CA -0.061 54.066 54.000 0.211 0.000 0.893 155 D CB -0.261 40.653 40.800 0.191 0.000 1.019 155 D HN 0.159 nan 8.370 nan 0.000 0.503 156 F N 0.580 120.642 119.950 0.187 0.000 2.128 156 F HA 0.003 4.530 4.527 0.000 0.000 0.295 156 F C 1.020 176.982 175.800 0.271 0.000 1.100 156 F CA 0.797 58.926 58.000 0.215 0.000 1.260 156 F CB 0.017 39.171 39.000 0.256 0.000 1.009 156 F HN -0.036 nan 8.300 nan 0.000 0.476 157 W N 4.778 126.127 121.300 0.082 0.000 1.395 157 W HA 0.260 4.920 4.660 0.000 0.000 0.451 157 W C -0.526 175.969 176.519 -0.041 0.000 0.619 157 W CA -0.102 57.219 57.345 -0.039 0.000 2.212 157 W CB -0.470 29.048 29.460 0.096 0.000 1.537 157 W HN -0.031 nan 8.180 nan 0.000 0.275 158 R N 0.813 121.185 120.500 -0.212 0.000 2.680 158 R HA 0.430 4.770 4.340 0.000 0.000 0.269 158 R C -1.468 174.685 176.300 -0.245 0.000 1.026 158 R CA -0.641 55.354 56.100 -0.175 0.000 0.889 158 R CB 1.931 32.209 30.300 -0.036 0.000 1.241 158 R HN -0.034 nan 8.270 nan 0.000 0.463 159 c N 0.467 118.946 118.600 -0.201 0.000 2.626 159 c HA 0.295 4.866 4.570 0.000 0.000 0.310 159 c C 1.902 175.925 174.090 -0.111 0.000 1.191 159 c CA -0.581 55.639 56.329 -0.182 0.000 1.517 159 c CB 1.847 44.231 42.510 -0.210 0.000 2.102 159 c HN 1.011 nan 8.230 nan 0.000 0.479 160 T N 1.413 115.913 114.554 -0.090 0.000 2.652 160 T HA -0.090 4.260 4.350 0.000 0.000 0.267 160 T C 0.703 175.368 174.700 -0.058 0.000 1.039 160 T CA 2.285 64.349 62.100 -0.060 0.000 1.153 160 T CB -0.136 68.702 68.868 -0.050 0.000 0.863 160 T HN 0.945 nan 8.240 nan 0.000 0.428 161 S N -0.310 115.349 115.700 -0.068 0.000 2.519 161 S HA 0.698 5.168 4.470 0.000 0.000 0.309 161 S C 0.228 174.781 174.600 -0.078 0.000 1.100 161 S CA -0.083 58.080 58.200 -0.061 0.000 1.059 161 S CB 1.361 64.531 63.200 -0.050 0.000 1.008 161 S HN 1.310 nan 8.310 nan 0.000 0.478 162 G N 1.643 110.399 108.800 -0.074 0.000 2.582 162 G HA2 -0.005 3.955 3.960 0.000 0.000 0.222 162 G HA3 -0.005 3.955 3.960 0.000 0.000 0.222 162 G C -1.436 173.397 174.900 -0.112 0.000 1.311 162 G CA -0.644 44.405 45.100 -0.085 0.000 0.915 162 G HN 1.040 nan 8.290 nan 0.000 0.528 163 L N 1.802 122.949 121.223 -0.126 0.000 2.346 163 L HA 0.568 4.908 4.340 0.000 0.000 0.276 163 L C -1.828 174.884 176.870 -0.263 0.000 1.006 163 L CA -1.970 52.771 54.840 -0.165 0.000 0.817 163 L CB 2.545 44.548 42.059 -0.094 0.000 1.272 163 L HN 0.537 nan 8.230 nan 0.000 0.421 164 P HA 0.263 nan 4.420 nan 0.000 0.277 164 P C -1.035 175.886 177.300 -0.632 0.000 1.240 164 P CA -0.202 62.443 63.100 -0.758 0.000 0.798 164 P CB 1.821 32.700 31.700 -1.368 0.000 0.979 165 S N 1.171 116.591 115.700 -0.466 0.000 2.615 165 S HA 0.474 4.944 4.470 0.000 0.000 0.268 165 S C -1.018 173.661 174.600 0.132 0.000 1.146 165 S CA -0.982 57.225 58.200 0.011 0.000 0.818 165 S CB 0.416 63.642 63.200 0.043 0.000 1.111 165 S HN 0.243 nan 8.310 nan 0.000 0.465 166 L N 2.059 123.460 121.223 0.297 0.000 2.305 166 L HA 0.513 4.853 4.340 0.000 0.000 0.281 166 L C 0.399 177.328 176.870 0.098 0.000 1.085 166 L CA -0.666 54.305 54.840 0.219 0.000 0.813 166 L CB 1.143 43.351 42.059 0.248 0.000 1.157 166 L HN 0.793 nan 8.230 nan 0.000 0.436 167 M N 1.920 121.543 119.600 0.038 0.000 2.233 167 M HA 0.368 4.848 4.480 0.000 0.000 0.355 167 M C 0.301 176.613 176.300 0.019 0.000 1.191 167 M CA -0.507 54.801 55.300 0.013 0.000 1.101 167 M CB 1.526 34.115 32.600 -0.019 0.000 1.592 167 M HN 0.481 nan 8.290 nan 0.000 0.461 168 K N 0.961 121.375 120.400 0.024 0.000 2.217 168 K HA 0.119 4.439 4.320 0.000 0.000 0.202 168 K C 0.015 176.623 176.600 0.012 0.000 1.051 168 K CA 0.761 57.064 56.287 0.027 0.000 0.952 168 K CB -0.099 32.417 32.500 0.027 0.000 0.736 168 K HN 0.741 nan 8.250 nan 0.000 0.453 169 T N 2.186 116.740 114.554 0.002 0.000 2.933 169 T HA 0.290 4.640 4.350 0.000 0.000 0.305 169 T C -2.762 171.929 174.700 -0.015 0.000 1.092 169 T CA -1.450 60.647 62.100 -0.005 0.000 1.008 169 T CB 2.558 71.424 68.868 -0.003 0.000 1.102 169 T HN -0.024 nan 8.240 nan 0.000 0.469 170 P HA 0.237 nan 4.420 nan 0.000 0.274 170 P C -0.427 176.866 177.300 -0.012 0.000 1.231 170 P CA -0.588 62.504 63.100 -0.012 0.000 0.790 170 P CB 0.839 32.532 31.700 -0.013 0.000 0.951 171 K N 2.134 122.533 120.400 -0.002 0.000 2.414 171 K HA 0.107 4.427 4.320 0.000 0.000 0.272 171 K C 0.717 177.321 176.600 0.005 0.000 0.993 171 K CA -0.441 55.849 56.287 0.006 0.000 0.964 171 K CB 0.112 32.617 32.500 0.009 0.000 0.925 171 K HN 0.478 nan 8.250 nan 0.000 0.487 172 I N 0.412 120.992 120.570 0.017 0.000 2.938 172 I HA 0.207 4.377 4.170 0.000 0.000 0.285 172 I C -0.373 175.766 176.117 0.036 0.000 1.182 172 I CA -0.343 60.972 61.300 0.025 0.000 1.388 172 I CB 0.592 38.641 38.000 0.082 0.000 1.390 172 I HN 0.536 nan 8.210 nan 0.000 0.600 173 R N 4.362 124.889 120.500 0.044 0.000 2.795 173 R HA 0.623 4.963 4.340 0.000 0.000 0.275 173 R C -1.228 175.120 176.300 0.080 0.000 0.981 173 R CA -1.015 55.116 56.100 0.051 0.000 0.917 173 R CB 2.182 32.508 30.300 0.042 0.000 1.202 173 R HN 0.577 nan 8.270 nan 0.000 0.469 174 L N 2.841 124.119 121.223 0.092 0.000 2.380 174 L HA 0.308 4.648 4.340 0.000 0.000 0.273 174 L C 0.185 177.126 176.870 0.118 0.000 1.138 174 L CA 0.136 55.058 54.840 0.137 0.000 0.832 174 L CB 0.520 42.684 42.059 0.175 0.000 1.124 174 L HN 0.448 nan 8.230 nan 0.000 0.454 175 M N 5.574 125.250 119.600 0.128 0.000 2.069 175 M HA 0.298 4.778 4.480 0.000 0.000 0.349 175 M C -2.066 174.283 176.300 0.083 0.000 1.194 175 M CA -1.687 53.672 55.300 0.099 0.000 1.081 175 M CB 0.922 33.586 32.600 0.106 0.000 1.500 175 M HN 0.324 nan 8.290 nan 0.000 0.438 176 P HA 0.634 nan 4.420 nan 0.000 0.286 176 P C 0.064 177.376 177.300 0.021 0.000 1.293 176 P CA 0.082 63.207 63.100 0.042 0.000 0.770 176 P CB 0.948 32.673 31.700 0.040 0.000 1.206 177 G N -0.977 107.825 108.800 0.002 0.000 2.340 177 G HA2 0.169 4.129 3.960 0.000 0.000 0.527 177 G HA3 0.169 4.129 3.960 0.000 0.000 0.527 177 G C -3.029 171.854 174.900 -0.029 0.000 1.381 177 G CA -0.768 44.326 45.100 -0.009 0.000 1.001 177 G HN 0.681 nan 8.290 nan 0.000 0.626 178 P HA 0.518 nan 4.420 nan 0.000 0.271 178 P C 0.399 177.659 177.300 -0.068 0.000 1.216 178 P CA 0.525 63.597 63.100 -0.046 0.000 0.776 178 P CB 1.287 32.965 31.700 -0.035 0.000 0.881 179 G N 1.562 110.309 108.800 -0.088 0.000 2.432 179 G HA2 0.613 4.573 3.960 0.000 0.000 0.331 179 G HA3 0.613 4.573 3.960 0.000 0.000 0.331 179 G C -1.294 173.547 174.900 -0.099 0.000 1.170 179 G CA -0.782 44.245 45.100 -0.121 0.000 0.943 179 G HN 0.490 nan 8.290 nan 0.000 0.483 180 L N 1.945 123.103 121.223 -0.108 0.000 2.490 180 L HA 0.410 4.751 4.340 0.000 0.000 0.256 180 L C -0.717 176.110 176.870 -0.071 0.000 1.089 180 L CA -0.198 54.601 54.840 -0.069 0.000 0.916 180 L CB 0.818 42.851 42.059 -0.044 0.000 1.188 180 L HN 0.208 nan 8.230 nan 0.000 0.476 181 L N 1.414 122.600 121.223 -0.063 0.000 2.341 181 L HA 0.749 5.089 4.340 0.000 0.000 0.267 181 L C 0.536 177.448 176.870 0.071 0.000 1.009 181 L CA -0.864 53.965 54.840 -0.018 0.000 0.819 181 L CB 2.077 44.061 42.059 -0.124 0.000 1.323 181 L HN 0.460 nan 8.230 nan 0.000 0.425 182 A N 3.035 125.951 122.820 0.160 0.000 2.498 182 A HA 0.535 4.855 4.320 0.000 0.000 0.239 182 A C -0.214 177.410 177.584 0.066 0.000 1.068 182 A CA 0.362 52.452 52.037 0.089 0.000 0.766 182 A CB 0.115 19.165 19.000 0.083 0.000 1.003 182 A HN 0.712 nan 8.150 nan 0.000 0.497 183 M N 1.723 121.341 119.600 0.030 0.000 2.691 183 M HA 0.447 4.927 4.480 0.000 0.000 0.293 183 M C -2.558 173.746 176.300 0.006 0.000 1.259 183 M CA -1.787 53.532 55.300 0.031 0.000 0.827 183 M CB 1.647 34.266 32.600 0.033 0.000 1.753 183 M HN 0.368 nan 8.290 nan 0.000 0.465 184 P HA 0.306 nan 4.420 nan 0.000 0.276 184 P C -0.066 177.231 177.300 -0.005 0.000 1.261 184 P CA -0.309 62.794 63.100 0.004 0.000 0.800 184 P CB 0.474 32.195 31.700 0.034 0.000 1.066 185 T N -4.661 109.884 114.554 -0.015 0.000 3.252 185 T HA 0.293 4.643 4.350 0.000 0.000 0.286 185 T C 0.059 174.762 174.700 0.005 0.000 1.013 185 T CA -0.314 61.778 62.100 -0.013 0.000 0.914 185 T CB -0.909 67.938 68.868 -0.036 0.000 1.131 185 T HN 0.531 nan 8.240 nan 0.000 0.529 186 T N -2.287 112.278 114.554 0.019 0.000 2.900 186 T HA 0.563 4.913 4.350 0.000 0.000 0.295 186 T C 0.742 175.463 174.700 0.034 0.000 1.044 186 T CA -0.598 61.519 62.100 0.029 0.000 0.995 186 T CB 1.914 70.806 68.868 0.040 0.000 1.072 186 T HN -0.166 nan 8.240 nan 0.000 0.473 187 V N 1.497 121.431 119.914 0.033 0.000 2.970 187 V HA 0.007 4.128 4.120 0.000 0.000 0.260 187 V C 1.545 177.669 176.094 0.050 0.000 1.100 187 V CA 2.111 64.434 62.300 0.038 0.000 1.122 187 V CB -0.556 31.283 31.823 0.028 0.000 0.721 187 V HN 1.001 nan 8.190 nan 0.000 0.483 188 D N -0.737 119.692 120.400 0.047 0.000 2.363 188 D HA 0.161 4.801 4.640 0.000 0.000 0.214 188 D C 0.971 177.305 176.300 0.056 0.000 1.093 188 D CA 0.365 54.395 54.000 0.051 0.000 0.837 188 D CB -0.188 40.638 40.800 0.044 0.000 0.948 188 D HN 0.349 nan 8.370 nan 0.000 0.507 189 G N -0.175 108.660 108.800 0.058 0.000 2.606 189 G HA2 0.366 4.327 3.960 0.000 0.000 0.252 189 G HA3 0.366 4.327 3.960 0.000 0.000 0.252 189 G C -0.626 174.309 174.900 0.059 0.000 1.206 189 G CA -0.314 44.822 45.100 0.061 0.000 0.861 189 G HN 0.391 nan 8.290 nan 0.000 0.561 190 c N 1.052 119.685 118.600 0.054 0.000 2.783 190 c HA 0.655 5.225 4.570 0.000 0.000 0.312 190 c C -0.544 173.566 174.090 0.033 0.000 1.182 190 c CA -0.951 55.403 56.329 0.040 0.000 1.432 190 c CB 0.314 42.847 42.510 0.039 0.000 1.933 190 c HN 0.594 nan 8.230 nan 0.000 0.473 191 I N 6.571 127.151 120.570 0.016 0.000 2.362 191 I HA 0.538 4.708 4.170 0.000 0.000 0.289 191 I C -0.113 175.988 176.117 -0.026 0.000 0.994 191 I CA -0.438 60.866 61.300 0.007 0.000 1.158 191 I CB 1.092 39.105 38.000 0.022 0.000 1.315 191 I HN 0.612 nan 8.210 nan 0.000 0.451 192 R N 2.633 123.098 120.500 -0.059 0.000 2.902 192 R HA 0.449 4.790 4.340 0.000 0.000 0.258 192 R C 0.048 176.189 176.300 -0.264 0.000 1.071 192 R CA -0.598 55.419 56.100 -0.139 0.000 1.024 192 R CB 1.058 31.299 30.300 -0.098 0.000 1.184 192 R HN 0.801 nan 8.270 nan 0.000 0.492 193 T N -1.361 112.858 114.554 -0.559 0.000 3.549 193 T HA -0.111 4.240 4.350 0.000 0.000 0.398 193 T C -1.969 172.465 174.700 -0.443 0.000 0.766 193 T CA -0.203 61.425 62.100 -0.787 0.000 2.007 193 T CB -1.719 66.859 68.868 -0.483 0.000 1.727 193 T HN 0.454 nan 8.240 nan 0.000 0.693 194 P HA 0.473 nan 4.420 nan 0.000 0.269 194 P C -0.156 177.092 177.300 -0.087 0.000 1.215 194 P CA -0.151 62.878 63.100 -0.118 0.000 0.780 194 P CB 1.354 33.146 31.700 0.153 0.000 0.898 195 S N 1.479 117.131 115.700 -0.080 0.000 2.548 195 S HA 0.633 5.103 4.470 0.000 0.000 0.276 195 S C -1.526 173.173 174.600 0.165 0.000 1.129 195 S CA -0.634 57.581 58.200 0.024 0.000 0.931 195 S CB 0.535 63.718 63.200 -0.029 0.000 1.068 195 S HN 0.380 nan 8.310 nan 0.000 0.480 196 L N 5.651 127.018 121.223 0.240 0.000 2.438 196 L HA 0.844 5.184 4.340 0.000 0.000 0.270 196 L C -1.495 175.526 176.870 0.253 0.000 0.972 196 L CA -0.413 54.605 54.840 0.298 0.000 0.831 196 L CB 1.888 44.119 42.059 0.288 0.000 1.273 196 L HN 0.490 nan 8.230 nan 0.000 0.405 197 V N 3.510 123.582 119.914 0.264 0.000 2.823 197 V HA 0.697 4.817 4.120 0.000 0.000 0.312 197 V C -0.313 175.938 176.094 0.262 0.000 1.072 197 V CA -0.692 61.750 62.300 0.238 0.000 0.937 197 V CB 1.840 33.787 31.823 0.208 0.000 1.013 197 V HN 0.673 nan 8.190 nan 0.000 0.430 198 I N 3.509 124.222 120.570 0.238 0.000 2.607 198 I HA 0.565 4.735 4.170 0.000 0.000 0.290 198 I C -0.888 175.374 176.117 0.242 0.000 1.129 198 I CA -0.396 61.060 61.300 0.259 0.000 1.042 198 I CB 2.447 40.562 38.000 0.191 0.000 1.242 198 I HN 0.953 nan 8.210 nan 0.000 0.421 199 N N 2.848 121.718 118.700 0.284 0.000 3.167 199 N HA 0.291 5.031 4.740 0.000 0.000 0.323 199 N C -0.005 175.673 175.510 0.281 0.000 1.478 199 N CA -0.667 52.519 53.050 0.226 0.000 0.753 199 N CB 0.540 39.121 38.487 0.157 0.000 1.721 199 N HN 0.363 nan 8.380 nan 0.000 0.618 200 D N -0.333 120.182 120.400 0.192 0.000 2.311 200 D HA -0.015 4.625 4.640 0.000 0.000 0.212 200 D C 1.293 177.671 176.300 0.129 0.000 0.972 200 D CA 1.088 55.201 54.000 0.188 0.000 0.887 200 D CB 0.329 41.197 40.800 0.114 0.000 0.915 200 D HN 0.440 nan 8.370 nan 0.000 0.497 201 L N -0.638 120.544 121.223 -0.068 0.000 2.586 201 L HA 0.274 4.614 4.340 0.000 0.000 0.204 201 L C 1.215 177.537 176.870 -0.913 0.000 1.053 201 L CA 0.099 54.708 54.840 -0.386 0.000 0.856 201 L CB 0.234 42.153 42.059 -0.235 0.000 1.192 201 L HN -0.076 nan 8.230 nan 0.000 0.484 202 I N -3.265 117.017 120.570 -0.480 0.000 3.466 202 I HA 0.539 4.709 4.170 0.000 0.000 0.311 202 I C -1.254 175.019 176.117 0.260 0.000 1.155 202 I CA -1.057 60.108 61.300 -0.225 0.000 0.959 202 I CB 2.208 40.144 38.000 -0.107 0.000 1.332 202 I HN -0.003 nan 8.210 nan 0.000 0.483 203 Y N 0.688 121.105 120.300 0.196 0.000 2.609 203 Y HA 0.946 5.496 4.550 0.000 0.000 0.342 203 Y C -1.264 174.724 175.900 0.147 0.000 1.058 203 Y CA -1.068 57.135 58.100 0.173 0.000 1.055 203 Y CB 1.561 40.087 38.460 0.110 0.000 1.292 203 Y HN 0.917 nan 8.280 nan 0.000 0.476 204 A N 2.153 125.061 122.820 0.147 0.000 2.520 204 A HA 0.660 4.980 4.320 0.000 0.000 0.298 204 A C -2.630 175.131 177.584 0.296 0.000 1.051 204 A CA -0.675 51.392 52.037 0.049 0.000 0.690 204 A CB 1.327 20.376 19.000 0.082 0.000 1.281 204 A HN 1.031 nan 8.150 nan 0.000 0.402 205 Y N 0.916 121.294 120.300 0.130 0.000 2.373 205 Y HA 0.723 5.274 4.550 0.000 0.000 0.336 205 Y C -0.368 175.593 175.900 0.101 0.000 0.979 205 Y CA -0.216 57.977 58.100 0.154 0.000 1.080 205 Y CB 2.128 40.713 38.460 0.208 0.000 1.190 205 Y HN 0.829 nan 8.280 nan 0.000 0.446 206 T N 4.264 118.464 114.554 -0.591 0.000 2.909 206 T HA 0.810 5.160 4.350 0.000 0.000 0.299 206 T C -1.442 172.890 174.700 -0.615 0.000 1.073 206 T CA -0.190 61.633 62.100 -0.461 0.000 0.999 206 T CB 0.843 69.612 68.868 -0.166 0.000 1.098 206 T HN 0.929 nan 8.240 nan 0.000 0.477 207 S N 3.201 118.666 115.700 -0.392 0.000 2.596 207 S HA 0.554 5.024 4.470 0.000 0.000 0.270 207 S C -1.344 173.188 174.600 -0.113 0.000 1.155 207 S CA -1.066 56.975 58.200 -0.265 0.000 0.827 207 S CB 1.578 64.644 63.200 -0.223 0.000 1.130 207 S HN 0.742 nan 8.310 nan 0.000 0.467 208 N N 0.576 119.226 118.700 -0.083 0.000 2.408 208 N HA 0.470 5.210 4.740 0.000 0.000 0.280 208 N C -1.761 173.761 175.510 0.020 0.000 1.002 208 N CA -0.477 52.561 53.050 -0.020 0.000 0.907 208 N CB 1.198 39.661 38.487 -0.040 0.000 1.161 208 N HN 0.621 nan 8.380 nan 0.000 0.488 209 L N 5.960 127.234 121.223 0.085 0.000 2.298 209 L HA 0.565 4.905 4.340 0.000 0.000 0.284 209 L C -1.111 175.852 176.870 0.157 0.000 1.013 209 L CA -0.473 54.435 54.840 0.114 0.000 0.824 209 L CB 0.798 42.929 42.059 0.120 0.000 1.221 209 L HN 0.430 nan 8.230 nan 0.000 0.418 210 I N 4.455 125.087 120.570 0.104 0.000 2.339 210 I HA 0.245 4.415 4.170 0.000 0.000 0.290 210 I C 1.383 177.561 176.117 0.103 0.000 0.994 210 I CA -0.272 61.085 61.300 0.095 0.000 1.191 210 I CB 1.917 39.953 38.000 0.060 0.000 1.343 210 I HN 0.778 nan 8.210 nan 0.000 0.458 211 T N 2.461 117.087 114.554 0.120 0.000 3.007 211 T HA -0.103 4.247 4.350 0.000 0.000 0.270 211 T C 0.898 175.643 174.700 0.075 0.000 1.107 211 T CA 0.761 62.928 62.100 0.112 0.000 1.118 211 T CB -0.022 68.925 68.868 0.132 0.000 0.889 211 T HN 0.624 nan 8.240 nan 0.000 0.506 212 R N 0.097 120.634 120.500 0.062 0.000 2.569 212 R HA 0.494 4.834 4.340 0.000 0.000 0.293 212 R C -0.081 176.248 176.300 0.048 0.000 1.186 212 R CA 0.280 56.410 56.100 0.051 0.000 0.956 212 R CB 0.718 31.044 30.300 0.044 0.000 1.196 212 R HN 0.494 nan 8.270 nan 0.000 0.444 213 G N 1.358 110.187 108.800 0.049 0.000 2.757 213 G HA2 -0.254 3.707 3.960 0.000 0.000 0.638 213 G HA3 -0.254 3.707 3.960 0.000 0.000 0.638 213 G C 0.217 175.145 174.900 0.048 0.000 1.344 213 G CA -0.314 44.814 45.100 0.047 0.000 0.855 213 G HN 0.643 nan 8.290 nan 0.000 0.537 214 c N 0.563 119.192 118.600 0.048 0.000 2.926 214 c HA 0.387 4.957 4.570 0.000 0.000 0.272 214 c C 1.032 175.153 174.090 0.053 0.000 1.249 214 c CA 0.121 56.479 56.329 0.048 0.000 1.691 214 c CB -0.681 41.859 42.510 0.049 0.000 1.983 214 c HN 0.660 nan 8.230 nan 0.000 0.615 215 Q N 1.227 121.059 119.800 0.054 0.000 2.221 215 Q HA 0.358 4.698 4.340 0.000 0.000 0.242 215 Q C -0.309 175.722 176.000 0.052 0.000 0.940 215 Q CA -0.099 55.739 55.803 0.059 0.000 0.896 215 Q CB 0.385 29.161 28.738 0.063 0.000 1.226 215 Q HN 0.176 nan 8.270 nan 0.000 0.463 216 D N 0.978 121.410 120.400 0.054 0.000 2.450 216 D HA 0.004 4.644 4.640 0.000 0.000 0.247 216 D C 0.052 176.376 176.300 0.039 0.000 1.162 216 D CA 0.262 54.289 54.000 0.045 0.000 0.879 216 D CB 0.388 41.218 40.800 0.051 0.000 1.163 216 D HN 0.593 nan 8.370 nan 0.000 0.472 217 I N 0.642 121.230 120.570 0.029 0.000 3.856 217 I HA 0.489 4.660 4.170 0.000 0.000 0.330 217 I C 1.188 177.313 176.117 0.012 0.000 1.546 217 I CA -0.343 60.971 61.300 0.023 0.000 1.132 217 I CB 0.259 38.273 38.000 0.023 0.000 1.157 217 I HN 0.529 nan 8.210 nan 0.000 0.440 218 G N 2.113 110.919 108.800 0.011 0.000 2.258 218 G HA2 -0.243 3.717 3.960 0.000 0.000 0.233 218 G HA3 -0.243 3.717 3.960 0.000 0.000 0.233 218 G C 0.157 175.046 174.900 -0.018 0.000 1.006 218 G CA 0.337 45.437 45.100 -0.000 0.000 0.620 218 G HN 0.641 nan 8.290 nan 0.000 0.511 219 K N -0.440 119.942 120.400 -0.029 0.000 2.532 219 K HA 0.759 5.080 4.320 0.000 0.000 0.265 219 K C -0.714 175.844 176.600 -0.070 0.000 0.948 219 K CA 0.022 56.269 56.287 -0.067 0.000 0.842 219 K CB 2.212 34.653 32.500 -0.098 0.000 1.392 219 K HN 1.297 nan 8.250 nan 0.000 0.436 220 S N -0.007 115.624 115.700 -0.115 0.000 2.614 220 S HA 0.367 4.837 4.470 0.000 0.000 0.280 220 S C -1.508 173.044 174.600 -0.079 0.000 1.111 220 S CA -1.027 57.134 58.200 -0.065 0.000 0.847 220 S CB 0.015 63.225 63.200 0.017 0.000 1.079 220 S HN 0.496 nan 8.310 nan 0.000 0.452 221 Y N 0.889 121.207 120.300 0.031 0.000 2.320 221 Y HA 0.700 5.250 4.550 0.000 0.000 0.324 221 Y C 0.601 176.531 175.900 0.051 0.000 1.190 221 Y CA -0.295 57.835 58.100 0.050 0.000 1.215 221 Y CB 0.977 39.464 38.460 0.045 0.000 1.221 221 Y HN 0.788 nan 8.280 nan 0.000 0.486 222 Q N 1.585 121.546 119.800 0.269 0.000 2.333 222 Q HA 0.591 4.931 4.340 0.000 0.000 0.268 222 Q C -1.898 174.264 176.000 0.270 0.000 1.007 222 Q CA -0.642 55.266 55.803 0.175 0.000 0.810 222 Q CB 1.491 30.268 28.738 0.065 0.000 1.264 222 Q HN 0.539 nan 8.270 nan 0.000 0.452 223 V N 5.130 125.133 119.914 0.149 0.000 2.357 223 V HA 0.473 4.593 4.120 0.000 0.000 0.284 223 V C -0.815 175.337 176.094 0.097 0.000 1.018 223 V CA -0.906 61.472 62.300 0.130 0.000 0.841 223 V CB 1.199 33.053 31.823 0.052 0.000 0.991 223 V HN 0.743 nan 8.190 nan 0.000 0.437 224 L N 4.719 126.055 121.223 0.188 0.000 2.296 224 L HA 0.587 4.927 4.340 0.000 0.000 0.286 224 L C -0.309 176.632 176.870 0.118 0.000 1.023 224 L CA 0.207 55.146 54.840 0.165 0.000 0.812 224 L CB 1.539 43.795 42.059 0.328 0.000 1.223 224 L HN 0.815 nan 8.230 nan 0.000 0.421 225 Q N 5.388 125.247 119.800 0.098 0.000 2.316 225 Q HA 0.617 4.957 4.340 0.000 0.000 0.264 225 Q C -1.633 174.342 176.000 -0.042 0.000 0.987 225 Q CA -0.587 55.257 55.803 0.069 0.000 0.852 225 Q CB 1.502 30.367 28.738 0.211 0.000 1.287 225 Q HN 0.786 nan 8.270 nan 0.000 0.448 226 I N 2.802 123.287 120.570 -0.142 0.000 2.509 226 I HA 0.760 4.930 4.170 0.000 0.000 0.293 226 I C 0.239 176.139 176.117 -0.362 0.000 1.020 226 I CA -0.699 60.441 61.300 -0.265 0.000 1.088 226 I CB 2.222 40.176 38.000 -0.077 0.000 1.267 226 I HN 0.840 nan 8.210 nan 0.000 0.430 227 G N 5.495 113.913 108.800 -0.637 0.000 2.588 227 G HA2 0.679 4.640 3.960 0.000 0.000 0.281 227 G HA3 0.679 4.640 3.960 0.000 0.000 0.281 227 G C -1.437 173.489 174.900 0.043 0.000 1.223 227 G CA -0.570 44.383 45.100 -0.246 0.000 0.871 227 G HN 0.683 nan 8.290 nan 0.000 0.492 228 I N -2.289 118.506 120.570 0.375 0.000 3.174 228 I HA 0.746 4.916 4.170 0.000 0.000 0.313 228 I C -1.149 175.232 176.117 0.440 0.000 1.155 228 I CA -1.519 60.053 61.300 0.453 0.000 0.977 228 I CB 2.449 40.587 38.000 0.229 0.000 1.248 228 I HN 0.358 nan 8.210 nan 0.000 0.453 229 I N 2.550 123.387 120.570 0.444 0.000 2.312 229 I HA 0.390 4.560 4.170 0.000 0.000 0.290 229 I C -0.098 176.036 176.117 0.029 0.000 1.008 229 I CA -0.140 61.180 61.300 0.033 0.000 1.226 229 I CB 1.636 39.496 38.000 -0.234 0.000 1.371 229 I HN 0.761 nan 8.210 nan 0.000 0.468 230 T N 2.546 117.090 114.554 -0.017 0.000 2.916 230 T HA 0.587 4.937 4.350 0.000 0.000 0.292 230 T C -0.303 174.335 174.700 -0.103 0.000 1.055 230 T CA -0.805 61.271 62.100 -0.040 0.000 1.009 230 T CB 1.878 70.748 68.868 0.003 0.000 1.118 230 T HN 0.091 nan 8.240 nan 0.000 0.497 231 V N 3.848 123.680 119.914 -0.137 0.000 2.572 231 V HA 0.266 4.386 4.120 0.000 0.000 0.291 231 V C 0.774 176.822 176.094 -0.077 0.000 1.039 231 V CA -0.523 61.679 62.300 -0.163 0.000 1.055 231 V CB 0.012 31.732 31.823 -0.170 0.000 0.969 231 V HN 1.073 nan 8.190 nan 0.000 0.482 232 N N 3.210 121.867 118.700 -0.072 0.000 2.476 232 N HA 0.154 4.895 4.740 0.000 0.000 0.287 232 N C 1.353 176.854 175.510 -0.015 0.000 1.262 232 N CA -0.081 52.947 53.050 -0.035 0.000 0.980 232 N CB 0.302 38.769 38.487 -0.033 0.000 1.163 232 N HN 0.498 nan 8.380 nan 0.000 0.592 233 S N -1.490 114.206 115.700 -0.005 0.000 2.387 233 S HA -0.198 4.272 4.470 0.000 0.000 0.230 233 S C 0.670 175.277 174.600 0.011 0.000 1.035 233 S CA 1.329 59.532 58.200 0.005 0.000 1.014 233 S CB -0.583 62.620 63.200 0.004 0.000 0.836 233 S HN 0.610 nan 8.310 nan 0.000 0.466 234 D N 1.671 122.076 120.400 0.008 0.000 2.349 234 D HA 0.215 4.855 4.640 0.000 0.000 0.224 234 D C 0.645 176.960 176.300 0.026 0.000 1.029 234 D CA 0.263 54.275 54.000 0.019 0.000 0.879 234 D CB -0.115 40.698 40.800 0.021 0.000 0.906 234 D HN 0.453 nan 8.370 nan 0.000 0.528 235 L N -0.625 120.607 121.223 0.015 0.000 3.938 235 L HA -0.185 4.155 4.340 0.000 0.000 0.405 235 L C -0.648 176.218 176.870 -0.006 0.000 1.202 235 L CA 0.028 54.884 54.840 0.026 0.000 0.920 235 L CB -2.253 39.846 42.059 0.067 0.000 2.054 235 L HN -0.118 nan 8.230 nan 0.000 0.815 236 V N -0.615 119.255 119.914 -0.073 0.000 2.604 236 V HA 0.491 4.611 4.120 0.000 0.000 0.305 236 V C -1.930 173.983 176.094 -0.301 0.000 1.043 236 V CA -1.527 60.654 62.300 -0.198 0.000 0.888 236 V CB 2.396 34.168 31.823 -0.085 0.000 0.995 236 V HN -0.114 nan 8.190 nan 0.000 0.429 237 P HA 0.186 nan 4.420 nan 0.000 0.265 237 P C -1.055 176.200 177.300 -0.075 0.000 1.193 237 P CA 0.418 63.283 63.100 -0.391 0.000 0.765 237 P CB 0.445 31.792 31.700 -0.587 0.000 0.823 238 D N 1.418 121.821 120.400 0.006 0.000 2.599 238 D HA 0.310 4.950 4.640 0.000 0.000 0.252 238 D C -1.044 175.135 176.300 -0.202 0.000 1.232 238 D CA -0.530 53.486 54.000 0.025 0.000 0.819 238 D CB 1.375 42.158 40.800 -0.028 0.000 1.401 238 D HN 0.076 nan 8.370 nan 0.000 0.429 239 L N 2.193 123.171 121.223 -0.409 0.000 2.319 239 L HA 0.352 4.692 4.340 0.000 0.000 0.280 239 L C 0.565 177.331 176.870 -0.173 0.000 1.099 239 L CA -0.137 54.370 54.840 -0.555 0.000 0.828 239 L CB 0.447 41.993 42.059 -0.855 0.000 1.150 239 L HN 0.274 nan 8.230 nan 0.000 0.442 240 N N 5.354 124.066 118.700 0.020 0.000 2.696 240 N HA 0.324 5.064 4.740 0.000 0.000 0.246 240 N C -2.608 173.032 175.510 0.218 0.000 1.057 240 N CA -1.522 51.585 53.050 0.095 0.000 0.867 240 N CB 1.548 40.079 38.487 0.074 0.000 1.141 240 N HN 0.296 nan 8.380 nan 0.000 0.517 241 P HA 0.121 nan 4.420 nan 0.000 0.271 241 P C -0.121 177.194 177.300 0.024 0.000 1.216 241 P CA -0.146 63.026 63.100 0.121 0.000 0.771 241 P CB 1.866 33.625 31.700 0.099 0.000 0.864 242 R N 2.201 122.678 120.500 -0.037 0.000 2.167 242 R HA 0.352 4.692 4.340 0.000 0.000 0.201 242 R C 0.665 176.877 176.300 -0.146 0.000 1.024 242 R CA 0.910 56.966 56.100 -0.073 0.000 1.053 242 R CB -0.238 30.020 30.300 -0.070 0.000 0.987 242 R HN 0.550 nan 8.270 nan 0.000 0.493 243 I N -2.750 117.706 120.570 -0.191 0.000 2.994 243 I HA 0.487 4.657 4.170 0.000 0.000 0.306 243 I C -0.722 175.232 176.117 -0.272 0.000 1.195 243 I CA -1.092 60.047 61.300 -0.269 0.000 1.001 243 I CB 2.472 40.246 38.000 -0.376 0.000 1.244 243 I HN -0.279 nan 8.210 nan 0.000 0.437 244 S N 0.695 116.175 115.700 -0.367 0.000 2.538 244 S HA 0.656 5.126 4.470 0.000 0.000 0.288 244 S C -1.429 172.885 174.600 -0.476 0.000 1.108 244 S CA -0.414 57.614 58.200 -0.286 0.000 0.971 244 S CB 0.855 63.970 63.200 -0.142 0.000 1.041 244 S HN 0.697 nan 8.310 nan 0.000 0.483 245 H N 0.887 119.905 119.070 -0.086 0.000 2.589 245 H HA 0.453 5.009 4.556 0.000 0.000 0.351 245 H C -0.652 174.577 175.328 -0.164 0.000 1.074 245 H CA -0.546 55.387 56.048 -0.191 0.000 1.203 245 H CB 1.905 31.474 29.762 -0.322 0.000 1.558 245 H HN 0.375 nan 8.280 nan 0.000 0.522 246 T N 4.027 118.534 114.554 -0.080 0.000 2.756 246 T HA 0.279 4.629 4.350 0.000 0.000 0.290 246 T C -0.413 174.253 174.700 -0.057 0.000 0.985 246 T CA -0.618 61.494 62.100 0.020 0.000 0.955 246 T CB -0.040 68.852 68.868 0.039 0.000 0.930 246 T HN 0.224 nan 8.240 nan 0.000 0.451 247 F N 2.811 122.822 119.950 0.101 0.000 2.399 247 F HA 0.253 4.780 4.527 0.000 0.000 0.342 247 F C 1.414 177.255 175.800 0.067 0.000 1.106 247 F CA -0.929 57.107 58.000 0.059 0.000 1.196 247 F CB 0.506 39.518 39.000 0.020 0.000 1.163 247 F HN 0.435 nan 8.300 nan 0.000 0.547 248 N N 3.611 122.410 118.700 0.165 0.000 2.294 248 N HA -0.138 4.602 4.740 0.000 0.000 0.263 248 N C 1.416 176.898 175.510 -0.047 0.000 1.281 248 N CA 0.232 53.313 53.050 0.052 0.000 0.846 248 N CB 0.419 38.918 38.487 0.021 0.000 1.061 248 N HN 0.844 nan 8.380 nan 0.000 0.478 249 I N 4.061 124.473 120.570 -0.263 0.000 2.335 249 I HA -0.333 3.837 4.170 0.000 0.000 0.251 249 I C 1.145 177.118 176.117 -0.239 0.000 1.129 249 I CA 1.526 62.524 61.300 -0.503 0.000 1.402 249 I CB 0.027 37.414 38.000 -1.021 0.000 1.069 249 I HN 0.603 nan 8.210 nan 0.000 0.424 250 N N 0.679 119.289 118.700 -0.150 0.000 2.396 250 N HA -0.156 4.584 4.740 0.000 0.000 0.180 250 N C 1.195 176.671 175.510 -0.058 0.000 1.028 250 N CA 1.029 54.025 53.050 -0.091 0.000 0.893 250 N CB -0.006 38.442 38.487 -0.065 0.000 0.967 250 N HN 0.315 nan 8.380 nan 0.000 0.440 251 D N 0.452 120.827 120.400 -0.042 0.000 2.219 251 D HA -0.114 4.526 4.640 0.000 0.000 0.205 251 D C 0.268 176.551 176.300 -0.028 0.000 0.970 251 D CA 0.719 54.705 54.000 -0.023 0.000 0.851 251 D CB -0.386 40.417 40.800 0.005 0.000 0.943 251 D HN 0.116 nan 8.370 nan 0.000 0.488 252 N N 0.654 119.332 118.700 -0.037 0.000 2.725 252 N HA -0.225 4.515 4.740 0.000 0.000 0.251 252 N C -0.735 174.765 175.510 -0.016 0.000 1.031 252 N CA 0.226 53.260 53.050 -0.028 0.000 0.720 252 N CB -0.958 37.515 38.487 -0.022 0.000 0.930 252 N HN 0.188 nan 8.380 nan 0.000 0.543 253 R N 0.528 121.012 120.500 -0.027 0.000 2.679 253 R HA 0.170 4.511 4.340 0.000 0.000 0.268 253 R C 0.117 176.402 176.300 -0.024 0.000 1.044 253 R CA 0.322 56.393 56.100 -0.048 0.000 1.105 253 R CB 0.481 30.718 30.300 -0.105 0.000 0.989 253 R HN 0.125 nan 8.270 nan 0.000 0.447 254 K N 0.252 120.649 120.400 -0.006 0.000 2.536 254 K HA 0.122 4.442 4.320 0.000 0.000 0.269 254 K C -0.484 176.140 176.600 0.039 0.000 0.965 254 K CA -0.750 55.550 56.287 0.022 0.000 0.860 254 K CB 2.027 34.567 32.500 0.067 0.000 1.423 254 K HN 0.584 nan 8.250 nan 0.000 0.438 255 S N 0.306 116.021 115.700 0.024 0.000 3.549 255 S HA -0.186 4.284 4.470 0.000 0.000 0.366 255 S C 0.046 174.667 174.600 0.034 0.000 1.012 255 S CA 0.337 58.571 58.200 0.057 0.000 1.141 255 S CB -1.549 61.734 63.200 0.139 0.000 0.910 255 S HN 0.538 nan 8.310 nan 0.000 0.471 256 c N 2.033 120.611 118.600 -0.036 0.000 2.605 256 c HA 0.670 5.241 4.570 0.000 0.000 0.404 256 c C 1.104 175.172 174.090 -0.036 0.000 1.284 256 c CA -0.507 55.776 56.329 -0.077 0.000 2.199 256 c CB 1.063 43.498 42.510 -0.126 0.000 2.647 256 c HN 0.701 nan 8.230 nan 0.000 0.604 257 S N 1.164 116.838 115.700 -0.043 0.000 2.566 257 S HA 0.773 5.243 4.470 0.000 0.000 0.298 257 S C -0.792 173.958 174.600 0.249 0.000 1.083 257 S CA -0.494 57.780 58.200 0.123 0.000 0.978 257 S CB 0.998 64.342 63.200 0.239 0.000 1.073 257 S HN 0.537 nan 8.310 nan 0.000 0.491 258 L N 1.392 122.849 121.223 0.390 0.000 2.319 258 L HA 0.963 5.303 4.340 0.000 0.000 0.267 258 L C -0.292 176.825 176.870 0.412 0.000 1.011 258 L CA -0.812 54.275 54.840 0.411 0.000 0.818 258 L CB 1.834 44.029 42.059 0.227 0.000 1.316 258 L HN 0.767 nan 8.230 nan 0.000 0.432 259 A N 2.122 125.121 122.820 0.299 0.000 2.594 259 A HA 0.836 5.157 4.320 0.000 0.000 0.295 259 A C -1.598 176.056 177.584 0.117 0.000 1.071 259 A CA -0.465 51.588 52.037 0.026 0.000 0.685 259 A CB 1.611 20.335 19.000 -0.460 0.000 1.285 259 A HN 0.567 nan 8.150 nan 0.000 0.405 260 L N 1.207 122.459 121.223 0.048 0.000 2.362 260 L HA 0.660 5.000 4.340 0.000 0.000 0.271 260 L C -0.787 176.031 176.870 -0.086 0.000 1.002 260 L CA -0.513 54.363 54.840 0.060 0.000 0.818 260 L CB 2.035 44.143 42.059 0.081 0.000 1.298 260 L HN 0.661 nan 8.230 nan 0.000 0.420 261 L N 3.950 125.093 121.223 -0.134 0.000 2.401 261 L HA 0.410 4.750 4.340 0.000 0.000 0.263 261 L C 0.054 176.790 176.870 -0.223 0.000 1.004 261 L CA 0.080 54.643 54.840 -0.463 0.000 0.881 261 L CB 0.488 42.235 42.059 -0.520 0.000 1.219 261 L HN 0.889 nan 8.230 nan 0.000 0.441 262 N N 0.942 119.538 118.700 -0.173 0.000 1.629 262 N HA -0.350 4.390 4.740 0.000 0.000 0.153 262 N C 0.557 176.016 175.510 -0.084 0.000 0.652 262 N CA 2.292 55.287 53.050 -0.092 0.000 1.156 262 N CB -0.730 37.704 38.487 -0.089 0.000 1.324 262 N HN 0.696 nan 8.380 nan 0.000 0.449 263 T N -2.064 112.434 114.554 -0.092 0.000 3.145 263 T HA 0.286 4.637 4.350 0.000 0.000 0.255 263 T C -0.625 174.100 174.700 0.042 0.000 1.039 263 T CA -0.055 61.980 62.100 -0.107 0.000 0.928 263 T CB 0.053 68.744 68.868 -0.296 0.000 1.029 263 T HN 0.202 nan 8.240 nan 0.000 0.554 264 D N 1.427 121.860 120.400 0.054 0.000 2.175 264 D HA 0.493 5.133 4.640 0.000 0.000 0.248 264 D C -0.590 175.804 176.300 0.157 0.000 1.047 264 D CA -0.469 53.594 54.000 0.105 0.000 0.883 264 D CB 2.089 42.967 40.800 0.130 0.000 1.180 264 D HN 0.054 nan 8.370 nan 0.000 0.438 265 V N 3.133 123.120 119.914 0.122 0.000 2.398 265 V HA 0.236 4.356 4.120 0.000 0.000 0.286 265 V C -0.751 175.411 176.094 0.112 0.000 1.026 265 V CA -0.687 61.709 62.300 0.160 0.000 0.868 265 V CB 0.646 32.541 31.823 0.120 0.000 0.982 265 V HN 0.376 nan 8.190 nan 0.000 0.443 266 Y N 3.380 123.754 120.300 0.124 0.000 2.331 266 Y HA 0.537 5.087 4.550 0.000 0.000 0.338 266 Y C 0.310 176.376 175.900 0.276 0.000 0.992 266 Y CA -0.429 57.794 58.100 0.205 0.000 1.121 266 Y CB 1.576 40.202 38.460 0.277 0.000 1.184 266 Y HN 0.609 nan 8.280 nan 0.000 0.469 267 Q N 4.246 124.145 119.800 0.165 0.000 2.309 267 Q HA 0.519 4.859 4.340 0.000 0.000 0.270 267 Q C -2.147 173.740 176.000 -0.187 0.000 1.023 267 Q CA -0.996 54.810 55.803 0.005 0.000 0.758 267 Q CB 1.429 30.088 28.738 -0.132 0.000 1.247 267 Q HN 0.739 nan 8.270 nan 0.000 0.455 268 L N 4.536 125.493 121.223 -0.443 0.000 2.296 268 L HA 0.617 4.957 4.340 0.000 0.000 0.286 268 L C -1.501 175.143 176.870 -0.376 0.000 1.023 268 L CA 0.010 54.509 54.840 -0.569 0.000 0.812 268 L CB 1.232 42.562 42.059 -1.215 0.000 1.223 268 L HN 0.873 nan 8.230 nan 0.000 0.421 269 c N 1.815 120.262 118.600 -0.255 0.000 2.971 269 c HA 0.778 5.348 4.570 0.000 0.000 0.310 269 c C 0.063 174.083 174.090 -0.116 0.000 1.285 269 c CA -0.838 55.392 56.329 -0.166 0.000 1.593 269 c CB 1.984 44.394 42.510 -0.167 0.000 2.076 269 c HN 0.804 nan 8.230 nan 0.000 0.472 270 S N 0.129 115.801 115.700 -0.046 0.000 2.608 270 S HA 0.748 5.218 4.470 0.000 0.000 0.291 270 S C -0.045 174.546 174.600 -0.015 0.000 1.146 270 S CA -0.114 58.056 58.200 -0.049 0.000 1.043 270 S CB 0.919 64.128 63.200 0.015 0.000 1.037 270 S HN 0.981 nan 8.310 nan 0.000 0.520 271 T N 1.826 116.360 114.554 -0.034 0.000 3.466 271 T HA 0.460 4.810 4.350 0.000 0.000 0.297 271 T C -2.700 171.998 174.700 -0.003 0.000 1.640 271 T CA -1.506 60.585 62.100 -0.015 0.000 1.631 271 T CB 0.488 69.336 68.868 -0.033 0.000 0.928 271 T HN 0.481 nan 8.240 nan 0.000 0.688 272 P HA 0.237 nan 4.420 nan 0.000 0.268 272 P C -0.063 177.261 177.300 0.038 0.000 1.205 272 P CA -0.271 62.865 63.100 0.061 0.000 0.771 272 P CB 1.257 33.067 31.700 0.183 0.000 0.858 273 K N 0.695 121.109 120.400 0.023 0.000 2.402 273 K HA 0.218 4.538 4.320 0.000 0.000 0.204 273 K C 0.434 177.049 176.600 0.025 0.000 1.056 273 K CA 0.007 56.303 56.287 0.015 0.000 1.069 273 K CB 0.675 33.173 32.500 -0.002 0.000 0.888 273 K HN 0.421 nan 8.250 nan 0.000 0.546 274 V N -0.972 118.968 119.914 0.043 0.000 3.130 274 V HA 0.359 4.479 4.120 0.000 0.000 0.310 274 V C -0.981 175.163 176.094 0.084 0.000 1.158 274 V CA -1.449 60.882 62.300 0.050 0.000 1.029 274 V CB 1.682 33.528 31.823 0.038 0.000 1.057 274 V HN 0.127 nan 8.190 nan 0.000 0.436 275 D N 0.057 120.506 120.400 0.083 0.000 2.369 275 D HA 0.090 4.730 4.640 0.000 0.000 0.241 275 D C 0.986 177.383 176.300 0.162 0.000 1.271 275 D CA 0.472 54.539 54.000 0.111 0.000 0.942 275 D CB 0.618 41.474 40.800 0.093 0.000 1.129 275 D HN 0.863 nan 8.370 nan 0.000 0.476 276 E N -0.553 119.768 120.200 0.202 0.000 2.058 276 E HA -0.268 4.082 4.350 0.000 0.000 0.194 276 E C 1.997 178.819 176.600 0.370 0.000 0.997 276 E CA 1.036 57.616 56.400 0.301 0.000 0.801 276 E CB 0.088 29.977 29.700 0.315 0.000 0.746 276 E HN 0.383 nan 8.360 nan 0.000 0.450 277 R N -0.065 120.583 120.500 0.246 0.000 2.096 277 R HA -0.077 4.263 4.340 0.000 0.000 0.235 277 R C 2.600 178.981 176.300 0.136 0.000 1.127 277 R CA 1.479 57.662 56.100 0.138 0.000 0.968 277 R CB -0.169 29.995 30.300 -0.226 0.000 0.861 277 R HN 0.096 nan 8.270 nan 0.000 0.440 278 S N 0.776 116.532 115.700 0.094 0.000 2.383 278 S HA -0.153 4.317 4.470 0.000 0.000 0.227 278 S C 1.442 176.091 174.600 0.082 0.000 1.026 278 S CA 1.349 59.587 58.200 0.065 0.000 0.981 278 S CB -0.268 62.957 63.200 0.042 0.000 0.818 278 S HN 0.318 nan 8.310 nan 0.000 0.472 279 D N 0.636 121.108 120.400 0.120 0.000 2.092 279 D HA -0.142 4.498 4.640 0.000 0.000 0.193 279 D C 1.598 177.889 176.300 -0.014 0.000 0.994 279 D CA 1.387 55.416 54.000 0.047 0.000 0.828 279 D CB -0.304 40.554 40.800 0.096 0.000 0.963 279 D HN 0.429 nan 8.370 nan 0.000 0.450 280 Y N 0.473 120.777 120.300 0.006 0.000 2.333 280 Y HA 0.032 4.582 4.550 0.000 0.000 0.290 280 Y C 2.429 178.332 175.900 0.004 0.000 1.144 280 Y CA 1.058 59.152 58.100 -0.010 0.000 1.228 280 Y CB -0.529 37.946 38.460 0.024 0.000 0.985 280 Y HN 0.039 nan 8.280 nan 0.000 0.542 281 A N -0.429 122.479 122.820 0.146 0.000 2.014 281 A HA -0.037 4.283 4.320 0.000 0.000 0.218 281 A C 1.273 178.868 177.584 0.019 0.000 1.163 281 A CA 0.971 53.052 52.037 0.074 0.000 0.652 281 A CB -0.660 18.370 19.000 0.049 0.000 0.808 281 A HN 0.289 nan 8.150 nan 0.000 0.449 282 S N 0.053 115.747 115.700 -0.010 0.000 2.437 282 S HA 0.612 5.083 4.470 0.000 0.000 0.305 282 S C -3.039 171.508 174.600 -0.087 0.000 1.109 282 S CA -1.818 56.357 58.200 -0.042 0.000 1.099 282 S CB 1.496 64.672 63.200 -0.039 0.000 1.004 282 S HN 0.011 nan 8.310 nan 0.000 0.475 283 P HA 0.435 nan 4.420 nan 0.000 0.268 283 P C 0.528 177.736 177.300 -0.154 0.000 1.208 283 P CA 1.048 64.061 63.100 -0.145 0.000 0.777 283 P CB 0.119 31.745 31.700 -0.123 0.000 0.875 284 G N 1.126 109.803 108.800 -0.206 0.000 2.895 284 G HA2 -0.048 3.913 3.960 0.000 0.000 0.686 284 G HA3 -0.048 3.913 3.960 0.000 0.000 0.686 284 G C -0.475 174.307 174.900 -0.196 0.000 1.108 284 G CA -0.371 44.612 45.100 -0.195 0.000 0.761 284 G HN 0.686 nan 8.290 nan 0.000 0.611 285 I N -1.386 119.071 120.570 -0.188 0.000 2.783 285 I HA 0.835 5.005 4.170 0.000 0.000 0.312 285 I C 0.307 176.318 176.117 -0.177 0.000 0.988 285 I CA -1.213 59.960 61.300 -0.211 0.000 1.182 285 I CB 1.273 39.154 38.000 -0.197 0.000 1.368 285 I HN 0.448 nan 8.210 nan 0.000 0.511 286 E N 2.368 122.424 120.200 -0.240 0.000 2.373 286 E HA 0.124 4.474 4.350 0.000 0.000 0.263 286 E C -0.826 175.676 176.600 -0.163 0.000 1.073 286 E CA -0.278 56.014 56.400 -0.180 0.000 0.894 286 E CB 0.494 30.077 29.700 -0.195 0.000 1.008 286 E HN 0.528 nan 8.360 nan 0.000 0.420 287 D N 1.210 121.551 120.400 -0.100 0.000 2.478 287 D HA 0.046 4.687 4.640 0.000 0.000 0.234 287 D C 0.126 176.375 176.300 -0.085 0.000 1.154 287 D CA 0.669 54.628 54.000 -0.068 0.000 0.874 287 D CB 0.489 41.261 40.800 -0.048 0.000 1.198 287 D HN 0.242 nan 8.370 nan 0.000 0.455 288 I N 1.206 121.753 120.570 -0.038 0.000 2.465 288 I HA 0.249 4.419 4.170 0.000 0.000 0.291 288 I C -0.467 175.688 176.117 0.062 0.000 1.014 288 I CA -0.878 60.393 61.300 -0.049 0.000 1.093 288 I CB 1.957 39.886 38.000 -0.119 0.000 1.267 288 I HN -0.068 nan 8.210 nan 0.000 0.431 289 V N 6.535 126.448 119.914 -0.002 0.000 2.628 289 V HA 0.472 4.592 4.120 0.000 0.000 0.306 289 V C -0.696 175.392 176.094 -0.010 0.000 1.045 289 V CA -0.741 61.569 62.300 0.017 0.000 0.905 289 V CB 2.377 34.164 31.823 -0.061 0.000 0.997 289 V HN 0.421 nan 8.190 nan 0.000 0.436 290 L N 3.874 125.138 121.223 0.067 0.000 2.356 290 L HA 0.708 5.048 4.340 0.000 0.000 0.277 290 L C -0.994 175.858 176.870 -0.029 0.000 0.996 290 L CA 0.106 54.966 54.840 0.034 0.000 0.822 290 L CB 1.798 43.982 42.059 0.208 0.000 1.256 290 L HN 0.573 nan 8.230 nan 0.000 0.413 291 D N 6.543 126.879 120.400 -0.107 0.000 2.391 291 D HA 0.463 5.103 4.640 0.000 0.000 0.245 291 D C -0.534 175.680 176.300 -0.144 0.000 1.069 291 D CA 0.116 54.052 54.000 -0.106 0.000 0.831 291 D CB 2.402 43.075 40.800 -0.213 0.000 1.204 291 D HN 0.451 nan 8.370 nan 0.000 0.503 292 I N 1.929 122.391 120.570 -0.180 0.000 2.382 292 I HA 0.223 4.393 4.170 0.000 0.000 0.285 292 I C -0.416 175.585 176.117 -0.193 0.000 1.007 292 I CA -0.933 60.155 61.300 -0.355 0.000 1.142 292 I CB 1.899 39.610 38.000 -0.482 0.000 1.289 292 I HN -0.078 nan 8.210 nan 0.000 0.453 293 V N 6.050 125.876 119.914 -0.147 0.000 2.370 293 V HA 0.318 4.438 4.120 0.000 0.000 0.283 293 V C 0.010 176.069 176.094 -0.058 0.000 1.023 293 V CA -0.682 61.551 62.300 -0.112 0.000 0.857 293 V CB 1.411 33.176 31.823 -0.097 0.000 0.985 293 V HN 0.698 nan 8.190 nan 0.000 0.443 294 N N 2.012 120.685 118.700 -0.046 0.000 2.476 294 N HA 0.320 5.061 4.740 0.000 0.000 0.275 294 N C 0.472 176.031 175.510 0.081 0.000 1.190 294 N CA -0.680 52.386 53.050 0.027 0.000 0.977 294 N CB 0.848 39.344 38.487 0.015 0.000 1.200 294 N HN 0.628 nan 8.380 nan 0.000 0.515 295 Y N 0.902 121.195 120.300 -0.011 0.000 2.274 295 Y HA -0.187 4.364 4.550 0.000 0.000 0.290 295 Y C 1.431 177.335 175.900 0.006 0.000 1.145 295 Y CA 1.678 59.776 58.100 -0.003 0.000 1.203 295 Y CB -0.313 38.139 38.460 -0.014 0.000 0.984 295 Y HN 0.707 nan 8.280 nan 0.000 0.533 296 D N -1.905 118.531 120.400 0.060 0.000 2.378 296 D HA 0.035 4.675 4.640 0.000 0.000 0.222 296 D C 1.817 178.099 176.300 -0.030 0.000 0.980 296 D CA 1.134 55.137 54.000 0.004 0.000 0.907 296 D CB -0.450 40.364 40.800 0.023 0.000 0.899 296 D HN 0.361 nan 8.370 nan 0.000 0.527 297 G N -0.435 108.348 108.800 -0.028 0.000 2.176 297 G HA2 -0.257 3.703 3.960 0.000 0.000 0.232 297 G HA3 -0.257 3.703 3.960 0.000 0.000 0.232 297 G C 0.332 175.205 174.900 -0.045 0.000 0.986 297 G CA 0.219 45.329 45.100 0.017 0.000 0.643 297 G HN 0.900 nan 8.290 nan 0.000 0.522 298 S N 0.069 115.734 115.700 -0.058 0.000 2.545 298 S HA 0.754 5.224 4.470 0.000 0.000 0.275 298 S C 0.046 174.577 174.600 -0.116 0.000 1.299 298 S CA -0.540 57.614 58.200 -0.076 0.000 1.048 298 S CB 1.635 64.808 63.200 -0.046 0.000 0.938 298 S HN 0.596 nan 8.310 nan 0.000 0.496 299 I N 2.394 122.888 120.570 -0.126 0.000 2.465 299 I HA 0.383 4.553 4.170 0.000 0.000 0.291 299 I C -0.090 175.986 176.117 -0.068 0.000 1.014 299 I CA -0.512 60.716 61.300 -0.119 0.000 1.093 299 I CB 2.181 40.085 38.000 -0.160 0.000 1.267 299 I HN 0.723 nan 8.210 nan 0.000 0.431 300 S N 4.195 119.858 115.700 -0.062 0.000 2.474 300 S HA 0.524 4.994 4.470 0.000 0.000 0.321 300 S C -0.526 174.052 174.600 -0.037 0.000 1.080 300 S CA -0.303 57.866 58.200 -0.051 0.000 1.106 300 S CB 0.818 63.981 63.200 -0.061 0.000 0.984 300 S HN 0.584 nan 8.310 nan 0.000 0.464 301 T N 4.643 119.183 114.554 -0.022 0.000 2.770 301 T HA 0.537 4.887 4.350 0.000 0.000 0.283 301 T C -0.720 173.942 174.700 -0.063 0.000 0.988 301 T CA -0.413 61.675 62.100 -0.020 0.000 0.957 301 T CB 1.444 70.324 68.868 0.019 0.000 0.930 301 T HN 0.595 nan 8.240 nan 0.000 0.443 302 T N 3.518 118.025 114.554 -0.079 0.000 2.812 302 T HA 0.465 4.815 4.350 0.000 0.000 0.282 302 T C -0.160 174.355 174.700 -0.309 0.000 0.990 302 T CA -0.779 61.192 62.100 -0.216 0.000 0.960 302 T CB 1.505 70.226 68.868 -0.245 0.000 0.948 302 T HN 0.447 nan 8.240 nan 0.000 0.438 303 R N 2.439 122.710 120.500 -0.381 0.000 2.368 303 R HA 0.547 4.887 4.340 0.000 0.000 0.302 303 R C -1.460 174.517 176.300 -0.539 0.000 1.002 303 R CA -0.520 55.397 56.100 -0.304 0.000 0.929 303 R CB 0.458 30.652 30.300 -0.177 0.000 1.073 303 R HN 0.498 nan 8.270 nan 0.000 0.464 304 F N 3.893 123.790 119.950 -0.087 0.000 2.434 304 F HA 0.397 4.924 4.527 0.000 0.000 0.355 304 F C 0.151 175.898 175.800 -0.087 0.000 1.115 304 F CA -0.724 57.221 58.000 -0.092 0.000 1.010 304 F CB 1.621 40.548 39.000 -0.122 0.000 1.234 304 F HN 0.325 nan 8.300 nan 0.000 0.439 305 K N 0.986 121.415 120.400 0.048 0.000 2.120 305 K HA 0.116 4.436 4.320 0.000 0.000 0.245 305 K C 1.043 177.682 176.600 0.065 0.000 1.024 305 K CA -0.414 55.888 56.287 0.026 0.000 0.906 305 K CB 0.677 33.173 32.500 -0.007 0.000 1.051 305 K HN 0.507 nan 8.250 nan 0.000 0.491 306 N N 1.070 119.798 118.700 0.046 0.000 2.132 306 N HA -0.218 4.522 4.740 0.000 0.000 0.191 306 N C 0.903 176.505 175.510 0.154 0.000 1.015 306 N CA 1.679 54.791 53.050 0.103 0.000 0.864 306 N CB 0.023 38.510 38.487 0.000 0.000 1.006 306 N HN 0.412 nan 8.380 nan 0.000 0.430 307 N N -0.129 118.617 118.700 0.076 0.000 2.515 307 N HA -0.007 4.733 4.740 0.000 0.000 0.185 307 N C 0.209 175.762 175.510 0.073 0.000 1.109 307 N CA 0.459 53.551 53.050 0.069 0.000 0.903 307 N CB -0.257 38.246 38.487 0.025 0.000 0.969 307 N HN 0.482 nan 8.380 nan 0.000 0.450 308 N N -0.303 118.448 118.700 0.085 0.000 2.336 308 N HA 0.204 4.944 4.740 0.000 0.000 0.189 308 N C -0.300 175.271 175.510 0.102 0.000 1.113 308 N CA 0.055 53.165 53.050 0.100 0.000 0.858 308 N CB 0.740 39.308 38.487 0.136 0.000 0.970 308 N HN 0.117 nan 8.380 nan 0.000 0.471 309 I N 0.062 120.644 120.570 0.019 0.000 2.493 309 I HA 0.218 4.388 4.170 0.000 0.000 0.298 309 I C -0.313 175.639 176.117 -0.275 0.000 0.998 309 I CA -0.719 60.433 61.300 -0.247 0.000 1.137 309 I CB 2.013 39.659 38.000 -0.590 0.000 1.310 309 I HN -0.146 nan 8.210 nan 0.000 0.445 310 S N 5.366 120.832 115.700 -0.390 0.000 2.399 310 S HA 0.488 4.959 4.470 0.000 0.000 0.301 310 S C -0.582 173.738 174.600 -0.467 0.000 1.093 310 S CA -0.437 57.584 58.200 -0.297 0.000 1.077 310 S CB -0.164 62.871 63.200 -0.274 0.000 0.980 310 S HN 0.211 nan 8.310 nan 0.000 0.494 311 F N 2.072 121.874 119.950 -0.246 0.000 2.432 311 F HA 0.305 4.832 4.527 0.000 0.000 0.329 311 F C 1.512 177.178 175.800 -0.223 0.000 1.076 311 F CA -1.364 56.494 58.000 -0.237 0.000 1.018 311 F CB 0.814 39.769 39.000 -0.075 0.000 1.201 311 F HN 0.456 nan 8.300 nan 0.000 0.489 312 D N -0.374 120.013 120.400 -0.021 0.000 2.317 312 D HA -0.052 4.588 4.640 0.000 0.000 0.211 312 D C -0.195 176.165 176.300 0.100 0.000 0.966 312 D CA 0.579 54.572 54.000 -0.012 0.000 0.876 312 D CB -0.072 40.774 40.800 0.076 0.000 0.927 312 D HN 0.710 nan 8.370 nan 0.000 0.519 313 Q N -1.108 118.785 119.800 0.155 0.000 2.479 313 Q HA 0.365 4.705 4.340 0.000 0.000 0.276 313 Q C -3.238 172.751 176.000 -0.017 0.000 0.989 313 Q CA -1.835 54.001 55.803 0.054 0.000 0.864 313 Q CB 1.702 30.445 28.738 0.007 0.000 1.444 313 Q HN -0.199 nan 8.270 nan 0.000 0.388 314 P HA -0.013 nan 4.420 nan 0.000 0.266 314 P C -1.357 175.666 177.300 -0.462 0.000 1.195 314 P CA 0.424 63.278 63.100 -0.410 0.000 0.768 314 P CB 0.275 31.728 31.700 -0.411 0.000 0.838 315 Y N 0.178 120.057 120.300 -0.702 0.000 2.485 315 Y HA 0.463 5.013 4.550 0.000 0.000 0.345 315 Y C 1.314 176.942 175.900 -0.453 0.000 0.998 315 Y CA -0.588 57.215 58.100 -0.495 0.000 1.059 315 Y CB 1.980 40.194 38.460 -0.411 0.000 1.234 315 Y HN 0.428 nan 8.280 nan 0.000 0.461 316 A N 1.942 124.610 122.820 -0.254 0.000 1.997 316 A HA 0.639 4.959 4.320 0.000 0.000 0.212 316 A C 0.496 177.864 177.584 -0.361 0.000 1.178 316 A CA 0.947 52.820 52.037 -0.273 0.000 0.698 316 A CB -0.000 18.864 19.000 -0.226 0.000 0.842 316 A HN 0.698 nan 8.150 nan 0.000 0.458 317 A N -0.839 121.706 122.820 -0.459 0.000 2.517 317 A HA 0.647 4.967 4.320 0.000 0.000 0.297 317 A C -1.624 175.696 177.584 -0.441 0.000 1.050 317 A CA -0.348 51.306 52.037 -0.638 0.000 0.694 317 A CB 1.227 19.424 19.000 -1.338 0.000 1.277 317 A HN 0.951 nan 8.150 nan 0.000 0.400 318 L N 1.860 122.759 121.223 -0.541 0.000 2.516 318 L HA 0.795 5.135 4.340 0.000 0.000 0.267 318 L C -2.124 174.360 176.870 -0.643 0.000 0.957 318 L CA -0.219 54.355 54.840 -0.444 0.000 0.860 318 L CB 1.373 43.206 42.059 -0.378 0.000 1.265 318 L HN 0.671 nan 8.230 nan 0.000 0.403 319 Y N 4.327 124.422 120.300 -0.341 0.000 2.512 319 Y HA 0.692 5.242 4.550 0.000 0.000 0.348 319 Y C -2.321 173.523 175.900 -0.093 0.000 0.990 319 Y CA -2.120 55.834 58.100 -0.242 0.000 1.033 319 Y CB 2.069 40.351 38.460 -0.298 0.000 1.259 319 Y HN 0.487 nan 8.280 nan 0.000 0.461 320 P HA 0.019 nan 4.420 nan 0.000 0.272 320 P C 0.247 177.737 177.300 0.316 0.000 1.223 320 P CA -0.079 63.085 63.100 0.106 0.000 0.784 320 P CB 0.718 32.387 31.700 -0.052 0.000 0.923 321 S N 0.418 116.326 115.700 0.346 0.000 2.701 321 S HA 0.023 4.494 4.470 0.000 0.000 0.220 321 S C 1.163 175.936 174.600 0.289 0.000 0.954 321 S CA 0.352 58.790 58.200 0.396 0.000 0.936 321 S CB -1.169 62.242 63.200 0.353 0.000 0.777 321 S HN 0.266 nan 8.310 nan 0.000 0.518 322 V N -0.632 119.410 119.914 0.213 0.000 0.489 322 V HA -0.299 3.821 4.120 0.000 0.000 0.092 322 V C 1.666 177.805 176.094 0.076 0.000 2.367 322 V CA 1.779 64.130 62.300 0.085 0.000 3.630 322 V CB -2.343 29.490 31.823 0.017 0.000 0.914 322 V HN 0.876 nan 8.190 nan 0.000 0.957 323 G N 2.917 111.815 108.800 0.164 0.000 2.636 323 G HA2 0.454 4.414 3.960 0.000 0.000 0.246 323 G HA3 0.454 4.414 3.960 0.000 0.000 0.246 323 G C -2.012 173.067 174.900 0.299 0.000 1.216 323 G CA 0.070 45.345 45.100 0.291 0.000 0.854 323 G HN 0.567 nan 8.290 nan 0.000 0.572 324 P HA 0.210 nan 4.420 nan 0.000 0.272 324 P C 0.410 177.840 177.300 0.217 0.000 1.230 324 P CA 0.029 63.285 63.100 0.261 0.000 0.788 324 P CB 1.230 33.062 31.700 0.219 0.000 0.949 325 G N 0.552 109.412 108.800 0.100 0.000 2.795 325 G HA2 0.743 4.703 3.960 0.000 0.000 0.267 325 G HA3 0.743 4.703 3.960 0.000 0.000 0.267 325 G C -0.287 174.529 174.900 -0.140 0.000 1.362 325 G CA -1.009 44.019 45.100 -0.121 0.000 1.048 325 G HN 0.656 nan 8.290 nan 0.000 0.547 326 I N -4.044 116.418 120.570 -0.180 0.000 3.239 326 I HA 0.679 4.849 4.170 0.000 0.000 0.314 326 I C -1.754 174.357 176.117 -0.010 0.000 1.126 326 I CA -1.352 59.918 61.300 -0.050 0.000 0.973 326 I CB 2.604 40.606 38.000 0.004 0.000 1.252 326 I HN 0.367 nan 8.210 nan 0.000 0.463 327 Y N 2.910 123.173 120.300 -0.062 0.000 2.464 327 Y HA 0.536 5.086 4.550 0.000 0.000 0.326 327 Y C -1.920 174.022 175.900 0.069 0.000 0.969 327 Y CA -1.425 56.641 58.100 -0.057 0.000 1.270 327 Y CB 0.667 39.088 38.460 -0.065 0.000 1.103 327 Y HN 0.532 nan 8.280 nan 0.000 0.491 328 Y N 6.029 126.167 120.300 -0.269 0.000 2.361 328 Y HA 0.424 4.974 4.550 0.000 0.000 0.337 328 Y C -0.146 175.574 175.900 -0.300 0.000 0.965 328 Y CA -1.494 56.447 58.100 -0.264 0.000 1.091 328 Y CB 0.960 39.351 38.460 -0.114 0.000 1.182 328 Y HN 0.511 nan 8.280 nan 0.000 0.450 329 K N 4.686 124.633 120.400 -0.755 0.000 3.156 329 K HA -0.217 4.103 4.320 0.000 0.000 0.266 329 K C 0.888 177.241 176.600 -0.412 0.000 0.966 329 K CA 1.160 57.068 56.287 -0.632 0.000 0.719 329 K CB -1.870 30.185 32.500 -0.742 0.000 1.333 329 K HN 1.528 nan 8.250 nan 0.000 0.468 330 G N -0.934 107.551 108.800 -0.525 0.000 2.205 330 G HA2 -0.330 3.630 3.960 0.000 0.000 0.261 330 G HA3 -0.330 3.630 3.960 0.000 0.000 0.261 330 G C -0.066 174.827 174.900 -0.013 0.000 0.980 330 G CA 0.864 45.820 45.100 -0.240 0.000 0.632 330 G HN 0.341 nan 8.290 nan 0.000 0.533 331 K N 0.184 120.544 120.400 -0.068 0.000 2.328 331 K HA 0.716 5.036 4.320 0.000 0.000 0.246 331 K C -0.368 176.291 176.600 0.099 0.000 0.955 331 K CA -1.176 55.151 56.287 0.066 0.000 0.817 331 K CB 2.140 34.682 32.500 0.069 0.000 1.208 331 K HN 0.046 nan 8.250 nan 0.000 0.432 332 I N 3.008 123.577 120.570 -0.002 0.000 2.342 332 I HA 0.332 4.502 4.170 0.000 0.000 0.291 332 I C 0.107 176.135 176.117 -0.148 0.000 1.010 332 I CA -0.629 60.568 61.300 -0.173 0.000 1.308 332 I CB 0.402 38.085 38.000 -0.528 0.000 1.400 332 I HN 0.439 nan 8.210 nan 0.000 0.488 333 I N 6.933 127.384 120.570 -0.198 0.000 2.418 333 I HA 0.351 4.522 4.170 0.000 0.000 0.287 333 I C -0.685 175.290 176.117 -0.237 0.000 1.008 333 I CA -0.493 60.737 61.300 -0.117 0.000 1.104 333 I CB 1.561 39.560 38.000 -0.001 0.000 1.264 333 I HN 0.259 nan 8.210 nan 0.000 0.438 334 F N 5.389 125.350 119.950 0.019 0.000 2.470 334 F HA 0.517 5.044 4.527 0.000 0.000 0.329 334 F C -0.058 175.774 175.800 0.052 0.000 1.072 334 F CA -0.863 57.162 58.000 0.042 0.000 0.989 334 F CB 1.723 40.739 39.000 0.027 0.000 1.193 334 F HN 0.249 nan 8.300 nan 0.000 0.481 335 L N 1.483 122.891 121.223 0.310 0.000 2.334 335 L HA 0.850 5.191 4.340 0.000 0.000 0.277 335 L C -0.138 176.892 176.870 0.266 0.000 1.075 335 L CA 0.191 55.175 54.840 0.240 0.000 0.804 335 L CB 1.113 43.312 42.059 0.233 0.000 1.174 335 L HN 0.646 nan 8.230 nan 0.000 0.438 336 G N 2.620 111.560 108.800 0.233 0.000 2.733 336 G HA2 0.630 4.590 3.960 0.000 0.000 0.288 336 G HA3 0.630 4.590 3.960 0.000 0.000 0.288 336 G C -2.044 173.062 174.900 0.344 0.000 1.373 336 G CA -0.296 44.944 45.100 0.234 0.000 0.895 336 G HN 0.853 nan 8.290 nan 0.000 0.479 337 Y N -2.123 118.270 120.300 0.156 0.000 2.609 337 Y HA 0.831 5.381 4.550 0.000 0.000 0.336 337 Y C 0.149 176.178 175.900 0.216 0.000 1.129 337 Y CA -0.466 57.747 58.100 0.189 0.000 1.040 337 Y CB 1.520 40.098 38.460 0.197 0.000 1.310 337 Y HN 1.550 nan 8.280 nan 0.000 0.460 338 G N -0.085 108.775 108.800 0.100 0.000 2.399 338 G HA2 0.456 4.416 3.960 0.000 0.000 0.256 338 G HA3 0.456 4.416 3.960 0.000 0.000 0.256 338 G C -1.364 173.600 174.900 0.107 0.000 1.236 338 G CA -0.311 44.791 45.100 0.003 0.000 0.914 338 G HN 1.366 nan 8.290 nan 0.000 0.482 339 G N -0.289 108.481 108.800 -0.049 0.000 2.530 339 G HA2 0.638 4.598 3.960 0.000 0.000 0.316 339 G HA3 0.638 4.598 3.960 0.000 0.000 0.316 339 G C -0.182 174.565 174.900 -0.255 0.000 1.298 339 G CA -0.633 44.436 45.100 -0.052 0.000 0.948 339 G HN 0.604 nan 8.290 nan 0.000 0.486 340 L N 1.219 122.223 121.223 -0.364 0.000 2.461 340 L HA 0.123 4.463 4.340 0.000 0.000 0.272 340 L C 1.815 178.458 176.870 -0.377 0.000 1.197 340 L CA -0.155 54.350 54.840 -0.558 0.000 0.836 340 L CB 1.247 43.053 42.059 -0.421 0.000 1.105 340 L HN 0.840 nan 8.230 nan 0.000 0.477 341 E N 1.113 121.032 120.200 -0.469 0.000 2.046 341 E HA -0.109 4.241 4.350 0.000 0.000 0.190 341 E C 0.116 176.510 176.600 -0.343 0.000 0.982 341 E CA 0.631 56.765 56.400 -0.444 0.000 0.800 341 E CB 0.301 29.604 29.700 -0.661 0.000 0.756 341 E HN 0.501 nan 8.360 nan 0.000 0.449 342 H N 0.698 119.677 119.070 -0.153 0.000 2.502 342 H HA 0.163 4.720 4.556 0.000 0.000 0.327 342 H C -1.988 173.271 175.328 -0.116 0.000 1.099 342 H CA -2.819 53.160 56.048 -0.115 0.000 1.323 342 H CB 0.846 30.549 29.762 -0.099 0.000 1.450 342 H HN 0.182 nan 8.280 nan 0.000 0.502 343 P HA 0.036 nan 4.420 nan 0.000 0.235 343 P C 0.607 177.883 177.300 -0.041 0.000 1.765 343 P CA -0.109 62.957 63.100 -0.057 0.000 1.034 343 P CB -0.864 30.787 31.700 -0.081 0.000 1.984 344 I N -1.242 119.314 120.570 -0.023 0.000 3.246 344 I HA 0.194 4.365 4.170 0.000 0.000 0.280 344 I C -0.039 176.078 176.117 0.000 0.000 1.239 344 I CA 0.055 61.352 61.300 -0.005 0.000 1.336 344 I CB 0.289 38.290 38.000 0.002 0.000 1.383 344 I HN 0.007 nan 8.210 nan 0.000 0.617 345 N N 3.570 122.282 118.700 0.019 0.000 2.664 345 N HA 0.343 5.083 4.740 0.000 0.000 0.257 345 N C -1.237 174.303 175.510 0.049 0.000 1.108 345 N CA -0.375 52.699 53.050 0.040 0.000 0.822 345 N CB 1.467 39.976 38.487 0.036 0.000 1.199 345 N HN 0.677 nan 8.380 nan 0.000 0.529 346 E N 0.502 120.740 120.200 0.063 0.000 2.243 346 E HA 0.302 4.652 4.350 0.000 0.000 0.260 346 E C -0.527 176.117 176.600 0.073 0.000 0.985 346 E CA -0.696 55.740 56.400 0.060 0.000 0.858 346 E CB 1.654 31.388 29.700 0.058 0.000 1.210 346 E HN 0.284 nan 8.360 nan 0.000 0.411 347 N N 1.210 119.948 118.700 0.063 0.000 2.602 347 N HA 0.109 4.849 4.740 0.000 0.000 0.238 347 N C -0.324 175.231 175.510 0.076 0.000 1.084 347 N CA -0.431 52.660 53.050 0.068 0.000 0.952 347 N CB 0.719 39.238 38.487 0.053 0.000 1.244 347 N HN 0.227 nan 8.380 nan 0.000 0.512 348 V N 1.357 121.332 119.914 0.101 0.000 3.332 348 V HA 0.081 4.201 4.120 0.000 0.000 0.305 348 V C 0.913 177.067 176.094 0.100 0.000 1.114 348 V CA -0.742 61.624 62.300 0.110 0.000 1.194 348 V CB 0.510 32.437 31.823 0.173 0.000 1.027 348 V HN 0.530 nan 8.190 nan 0.000 0.492 349 I N 2.792 123.385 120.570 0.039 0.000 2.775 349 I HA 0.310 4.480 4.170 0.000 0.000 0.290 349 I C 0.132 176.356 176.117 0.178 0.000 1.203 349 I CA 0.725 62.017 61.300 -0.014 0.000 1.433 349 I CB 0.031 37.835 38.000 -0.327 0.000 1.354 349 I HN 1.048 nan 8.210 nan 0.000 0.579 350 c N 7.118 125.852 118.600 0.224 0.000 3.239 350 c HA 0.621 5.191 4.570 0.000 0.000 0.317 350 c C -1.218 173.043 174.090 0.284 0.000 1.310 350 c CA -0.563 55.958 56.329 0.321 0.000 1.371 350 c CB 1.760 44.363 42.510 0.156 0.000 1.714 350 c HN 0.876 nan 8.230 nan 0.000 0.473 351 N N 0.579 119.443 118.700 0.274 0.000 2.542 351 N HA 0.389 5.129 4.740 0.000 0.000 0.288 351 N C -0.010 175.531 175.510 0.052 0.000 1.115 351 N CA 0.231 53.404 53.050 0.206 0.000 0.924 351 N CB 1.841 40.533 38.487 0.341 0.000 1.526 351 N HN 0.842 nan 8.380 nan 0.000 0.515 352 T N -1.934 112.627 114.554 0.011 0.000 3.043 352 T HA 0.120 4.470 4.350 0.000 0.000 0.272 352 T C 0.711 175.400 174.700 -0.018 0.000 0.990 352 T CA 0.024 62.095 62.100 -0.048 0.000 0.897 352 T CB -0.378 68.451 68.868 -0.065 0.000 1.111 352 T HN 0.479 nan 8.240 nan 0.000 0.529 353 T N 0.468 115.032 114.554 0.017 0.000 2.853 353 T HA 0.435 4.785 4.350 0.000 0.000 0.298 353 T C 1.568 176.276 174.700 0.014 0.000 0.978 353 T CA 0.741 62.851 62.100 0.018 0.000 1.152 353 T CB 0.073 68.960 68.868 0.032 0.000 0.914 353 T HN 1.189 nan 8.240 nan 0.000 0.539 354 G N 2.349 111.150 108.800 0.001 0.000 2.157 354 G HA2 -0.228 3.733 3.960 0.000 0.000 0.248 354 G HA3 -0.228 3.733 3.960 0.000 0.000 0.248 354 G C 0.279 175.164 174.900 -0.025 0.000 0.979 354 G CA -0.101 44.996 45.100 -0.004 0.000 0.650 354 G HN 1.087 nan 8.290 nan 0.000 0.529 355 c N 3.049 121.628 118.600 -0.035 0.000 2.787 355 c HA 0.463 5.033 4.570 0.000 0.000 0.265 355 c C -1.513 172.549 174.090 -0.046 0.000 1.190 355 c CA -1.703 54.592 56.329 -0.057 0.000 1.616 355 c CB 0.295 42.750 42.510 -0.091 0.000 1.732 355 c HN 0.459 nan 8.230 nan 0.000 0.433 356 P HA 0.116 nan 4.420 nan 0.000 0.260 356 P C 1.014 178.296 177.300 -0.030 0.000 1.172 356 P CA 1.806 64.891 63.100 -0.025 0.000 0.760 356 P CB 0.377 32.067 31.700 -0.017 0.000 0.773 357 G N 2.169 110.952 108.800 -0.028 0.000 2.205 357 G HA2 -0.209 3.751 3.960 0.000 0.000 0.261 357 G HA3 -0.209 3.751 3.960 0.000 0.000 0.261 357 G C 0.158 175.032 174.900 -0.043 0.000 0.980 357 G CA -0.062 45.020 45.100 -0.030 0.000 0.632 357 G HN 0.551 nan 8.290 nan 0.000 0.533 358 K N 1.637 122.002 120.400 -0.058 0.000 2.174 358 K HA 0.623 4.944 4.320 0.000 0.000 0.275 358 K C 0.728 177.284 176.600 -0.073 0.000 1.015 358 K CA 0.532 56.768 56.287 -0.085 0.000 0.933 358 K CB 1.472 33.893 32.500 -0.131 0.000 1.025 358 K HN 0.608 nan 8.250 nan 0.000 0.463 359 T N -2.167 112.342 114.554 -0.074 0.000 2.858 359 T HA 0.134 4.484 4.350 0.000 0.000 0.285 359 T C 1.063 175.730 174.700 -0.054 0.000 1.052 359 T CA -0.662 61.408 62.100 -0.050 0.000 1.009 359 T CB 1.300 70.151 68.868 -0.029 0.000 1.241 359 T HN 0.319 nan 8.240 nan 0.000 0.542 360 Q N 0.146 119.933 119.800 -0.022 0.000 2.226 360 Q HA -0.029 4.311 4.340 0.000 0.000 0.204 360 Q C 2.261 178.263 176.000 0.004 0.000 0.975 360 Q CA 1.703 57.505 55.803 -0.002 0.000 0.866 360 Q CB -0.316 28.433 28.738 0.019 0.000 0.915 360 Q HN 0.698 nan 8.270 nan 0.000 0.440 361 R N -0.256 120.243 120.500 -0.001 0.000 2.092 361 R HA -0.126 4.214 4.340 0.000 0.000 0.231 361 R C 1.223 177.518 176.300 -0.008 0.000 1.119 361 R CA 1.571 57.678 56.100 0.010 0.000 0.970 361 R CB -0.095 30.211 30.300 0.009 0.000 0.864 361 R HN 0.369 nan 8.270 nan 0.000 0.440 362 D N 0.189 120.560 120.400 -0.048 0.000 2.097 362 D HA -0.182 4.458 4.640 0.000 0.000 0.195 362 D C 1.965 178.202 176.300 -0.105 0.000 0.989 362 D CA 1.401 55.348 54.000 -0.090 0.000 0.827 362 D CB -0.424 40.292 40.800 -0.140 0.000 0.966 362 D HN 0.322 nan 8.370 nan 0.000 0.456 363 c N 1.295 119.826 118.600 -0.116 0.000 2.413 363 c HA -0.118 4.453 4.570 0.000 0.000 0.277 363 c C 2.469 176.623 174.090 0.107 0.000 1.228 363 c CA 0.433 56.743 56.329 -0.033 0.000 1.731 363 c CB -1.111 41.415 42.510 0.026 0.000 2.042 363 c HN 0.359 nan 8.230 nan 0.000 0.468 364 N N 0.812 119.564 118.700 0.087 0.000 2.104 364 N HA -0.153 4.588 4.740 0.000 0.000 0.190 364 N C 1.706 177.276 175.510 0.100 0.000 1.024 364 N CA 1.323 54.449 53.050 0.127 0.000 0.853 364 N CB -0.631 37.925 38.487 0.114 0.000 1.008 364 N HN 0.680 nan 8.380 nan 0.000 0.424 365 Q N -0.069 119.749 119.800 0.031 0.000 2.297 365 Q HA 0.141 4.481 4.340 0.000 0.000 0.204 365 Q C 1.629 177.528 176.000 -0.168 0.000 0.962 365 Q CA 1.010 56.766 55.803 -0.079 0.000 0.879 365 Q CB 0.010 28.734 28.738 -0.022 0.000 0.947 365 Q HN 0.380 nan 8.270 nan 0.000 0.462 366 A N 1.100 123.924 122.820 0.006 0.000 2.169 366 A HA -0.050 4.270 4.320 0.000 0.000 0.212 366 A C 2.077 179.870 177.584 0.348 0.000 1.153 366 A CA 0.877 53.000 52.037 0.143 0.000 0.756 366 A CB -0.186 18.933 19.000 0.199 0.000 0.813 366 A HN 0.350 nan 8.150 nan 0.000 0.471 367 S N -0.142 115.722 115.700 0.273 0.000 2.603 367 S HA 0.079 4.549 4.470 0.000 0.000 0.229 367 S C 0.413 175.216 174.600 0.339 0.000 0.972 367 S CA 0.438 58.874 58.200 0.393 0.000 0.935 367 S CB -0.697 62.692 63.200 0.315 0.000 0.769 367 S HN 0.856 nan 8.310 nan 0.000 0.536 368 H N -2.334 116.967 119.070 0.386 0.000 3.064 368 H HA 0.770 5.327 4.556 0.000 0.000 0.352 368 H C -1.096 174.482 175.328 0.418 0.000 1.260 368 H CA -0.678 55.532 56.048 0.270 0.000 1.160 368 H CB 0.967 30.812 29.762 0.139 0.000 1.879 368 H HN 0.060 nan 8.280 nan 0.000 0.544 369 S N 0.861 116.880 115.700 0.531 0.000 2.549 369 S HA 0.385 4.855 4.470 0.000 0.000 0.280 369 S C -2.233 172.579 174.600 0.353 0.000 1.109 369 S CA -1.711 56.737 58.200 0.414 0.000 0.905 369 S CB 1.449 64.914 63.200 0.440 0.000 1.081 369 S HN 0.531 nan 8.310 nan 0.000 0.477 370 P HA -0.079 nan 4.420 nan 0.000 0.218 370 P C 1.365 178.768 177.300 0.171 0.000 1.146 370 P CA 0.797 64.015 63.100 0.197 0.000 0.813 370 P CB -0.083 31.710 31.700 0.155 0.000 0.778 371 W N -0.218 121.066 121.300 -0.027 0.000 2.338 371 W HA -0.109 4.551 4.660 0.000 0.000 0.304 371 W C 0.384 176.814 176.519 -0.150 0.000 1.212 371 W CA 1.308 58.542 57.345 -0.186 0.000 1.264 371 W CB -0.595 28.621 29.460 -0.406 0.000 1.142 371 W HN -0.056 nan 8.180 nan 0.000 0.512 372 F N 1.507 121.556 119.950 0.164 0.000 2.925 372 F HA 0.136 4.663 4.527 0.000 0.000 0.302 372 F C 1.207 177.076 175.800 0.115 0.000 1.189 372 F CA -0.117 57.888 58.000 0.008 0.000 1.346 372 F CB -0.259 38.658 39.000 -0.138 0.000 0.954 372 F HN -0.277 nan 8.300 nan 0.000 0.506 373 S N 0.653 116.495 115.700 0.237 0.000 3.533 373 S HA -0.284 4.187 4.470 0.000 0.000 0.347 373 S C 0.209 174.917 174.600 0.180 0.000 1.101 373 S CA 0.907 59.211 58.200 0.173 0.000 1.009 373 S CB -1.349 61.939 63.200 0.146 0.000 0.916 373 S HN 0.766 nan 8.310 nan 0.000 0.496 374 D N -0.721 119.829 120.400 0.250 0.000 2.882 374 D HA -0.169 4.471 4.640 0.000 0.000 0.229 374 D C 0.293 176.666 176.300 0.120 0.000 1.167 374 D CA 1.014 55.172 54.000 0.263 0.000 0.759 374 D CB -0.349 40.570 40.800 0.198 0.000 1.088 374 D HN 0.488 nan 8.370 nan 0.000 0.425 375 R N 0.630 121.234 120.500 0.173 0.000 2.590 375 R HA 0.228 4.568 4.340 0.000 0.000 0.274 375 R C 0.702 177.037 176.300 0.059 0.000 1.061 375 R CA -0.281 55.871 56.100 0.087 0.000 1.081 375 R CB 0.305 30.708 30.300 0.173 0.000 0.984 375 R HN -0.013 nan 8.270 nan 0.000 0.448 376 R N 2.061 122.545 120.500 -0.027 0.000 2.370 376 R HA 0.124 4.464 4.340 0.000 0.000 0.309 376 R C 0.170 176.416 176.300 -0.090 0.000 1.059 376 R CA 0.212 56.300 56.100 -0.019 0.000 0.981 376 R CB 0.307 30.585 30.300 -0.037 0.000 0.972 376 R HN 0.368 nan 8.270 nan 0.000 0.437 377 M N 4.458 123.937 119.600 -0.203 0.000 2.105 377 M HA 0.243 4.723 4.480 0.000 0.000 0.350 377 M C -0.187 176.026 176.300 -0.145 0.000 1.308 377 M CA -0.470 54.621 55.300 -0.349 0.000 1.108 377 M CB 0.473 32.379 32.600 -1.158 0.000 1.622 377 M HN 0.384 nan 8.290 nan 0.000 0.468 378 V N 2.138 122.048 119.914 -0.006 0.000 3.141 378 V HA 0.715 4.835 4.120 0.000 0.000 0.312 378 V C -0.725 175.498 176.094 0.215 0.000 1.157 378 V CA -1.069 61.290 62.300 0.098 0.000 1.041 378 V CB 2.392 34.266 31.823 0.085 0.000 1.071 378 V HN 0.789 nan 8.190 nan 0.000 0.441 379 N N -0.111 118.725 118.700 0.226 0.000 2.404 379 N HA 0.827 5.567 4.740 0.000 0.000 0.297 379 N C -0.883 174.773 175.510 0.245 0.000 1.163 379 N CA -0.429 52.779 53.050 0.264 0.000 0.864 379 N CB 2.068 40.695 38.487 0.234 0.000 1.247 379 N HN 0.964 nan 8.380 nan 0.000 0.510 380 S N 0.418 116.252 115.700 0.225 0.000 2.595 380 S HA 0.542 5.012 4.470 0.000 0.000 0.281 380 S C -1.156 173.529 174.600 0.142 0.000 1.117 380 S CA -0.716 57.596 58.200 0.187 0.000 0.873 380 S CB 1.275 64.544 63.200 0.115 0.000 1.108 380 S HN 0.287 nan 8.310 nan 0.000 0.477 381 I N 2.210 122.862 120.570 0.136 0.000 2.339 381 I HA 0.417 4.587 4.170 0.000 0.000 0.290 381 I C -0.721 175.421 176.117 0.043 0.000 0.994 381 I CA -0.542 60.820 61.300 0.103 0.000 1.191 381 I CB 0.897 38.962 38.000 0.109 0.000 1.343 381 I HN 0.595 nan 8.210 nan 0.000 0.458 382 I N 7.132 127.718 120.570 0.027 0.000 2.371 382 I HA 0.267 4.437 4.170 0.000 0.000 0.282 382 I C -0.221 175.893 176.117 -0.004 0.000 1.031 382 I CA -0.726 60.542 61.300 -0.053 0.000 1.180 382 I CB 1.532 39.505 38.000 -0.046 0.000 1.336 382 I HN 0.119 nan 8.210 nan 0.000 0.467 383 V N 7.240 127.106 119.914 -0.079 0.000 2.461 383 V HA 0.271 4.391 4.120 0.000 0.000 0.275 383 V C 0.312 176.375 176.094 -0.051 0.000 1.047 383 V CA -0.545 61.727 62.300 -0.048 0.000 0.955 383 V CB 1.584 33.367 31.823 -0.066 0.000 0.988 383 V HN 0.363 nan 8.190 nan 0.000 0.471 384 V N 4.380 124.300 119.914 0.010 0.000 2.483 384 V HA 0.663 4.784 4.120 0.000 0.000 0.295 384 V C -0.370 175.753 176.094 0.050 0.000 1.035 384 V CA -0.184 62.136 62.300 0.034 0.000 0.896 384 V CB 1.781 33.686 31.823 0.136 0.000 0.986 384 V HN 1.056 nan 8.190 nan 0.000 0.447 385 D N 2.491 122.931 120.400 0.067 0.000 2.639 385 D HA 0.645 5.285 4.640 0.000 0.000 0.271 385 D C -1.375 174.988 176.300 0.104 0.000 1.254 385 D CA -0.604 53.446 54.000 0.083 0.000 0.810 385 D CB 2.077 42.915 40.800 0.063 0.000 1.351 385 D HN 0.674 nan 8.370 nan 0.000 0.427 386 K N 0.143 120.603 120.400 0.101 0.000 2.551 386 K HA 0.751 5.071 4.320 0.000 0.000 0.269 386 K C -0.361 176.284 176.600 0.075 0.000 0.949 386 K CA -1.189 55.157 56.287 0.098 0.000 0.849 386 K CB 1.775 34.344 32.500 0.116 0.000 1.411 386 K HN 0.364 nan 8.250 nan 0.000 0.432 387 G N 0.720 109.559 108.800 0.064 0.000 2.568 387 G HA2 0.305 4.265 3.960 0.000 0.000 0.293 387 G HA3 0.305 4.265 3.960 0.000 0.000 0.293 387 G C 0.685 175.611 174.900 0.044 0.000 1.347 387 G CA -1.145 43.985 45.100 0.050 0.000 1.039 387 G HN 0.544 nan 8.290 nan 0.000 0.523 388 L N 0.432 121.676 121.223 0.035 0.000 2.081 388 L HA -0.171 4.169 4.340 0.000 0.000 0.212 388 L C 2.576 179.462 176.870 0.027 0.000 1.080 388 L CA 1.640 56.498 54.840 0.030 0.000 0.754 388 L CB -0.353 41.720 42.059 0.024 0.000 0.893 388 L HN 0.693 nan 8.230 nan 0.000 0.433 389 N N -0.885 117.830 118.700 0.025 0.000 2.571 389 N HA -0.139 4.601 4.740 0.000 0.000 0.189 389 N C 0.751 176.274 175.510 0.023 0.000 1.154 389 N CA 0.874 53.936 53.050 0.020 0.000 0.907 389 N CB -0.017 38.480 38.487 0.016 0.000 0.977 389 N HN 0.101 nan 8.380 nan 0.000 0.449 390 S N -1.015 114.705 115.700 0.034 0.000 3.257 390 S HA -0.140 4.330 4.470 0.000 0.000 0.300 390 S C 0.033 174.661 174.600 0.046 0.000 1.275 390 S CA 0.514 58.739 58.200 0.042 0.000 1.023 390 S CB -1.217 62.002 63.200 0.032 0.000 1.180 390 S HN 0.464 nan 8.310 nan 0.000 0.660 391 I N 2.944 123.540 120.570 0.043 0.000 2.379 391 I HA 0.220 4.390 4.170 0.000 0.000 0.290 391 I C -1.318 174.858 176.117 0.099 0.000 1.063 391 I CA -2.183 59.143 61.300 0.045 0.000 1.351 391 I CB -0.201 37.812 38.000 0.021 0.000 1.410 391 I HN 0.013 nan 8.210 nan 0.000 0.505 392 P HA 0.219 nan 4.420 nan 0.000 0.272 392 P C -0.965 176.546 177.300 0.350 0.000 1.223 392 P CA -0.328 62.913 63.100 0.236 0.000 0.784 392 P CB 0.961 32.832 31.700 0.286 0.000 0.923 393 K N 1.347 121.881 120.400 0.224 0.000 2.477 393 K HA 0.730 5.050 4.320 0.000 0.000 0.255 393 K C -1.083 175.419 176.600 -0.164 0.000 0.952 393 K CA -1.091 55.292 56.287 0.160 0.000 0.826 393 K CB 1.616 34.178 32.500 0.104 0.000 1.331 393 K HN 0.267 nan 8.250 nan 0.000 0.437 394 L N 1.303 122.274 121.223 -0.421 0.000 2.362 394 L HA 0.573 4.913 4.340 0.000 0.000 0.271 394 L C -0.745 175.859 176.870 -0.444 0.000 1.002 394 L CA -0.910 53.612 54.840 -0.529 0.000 0.818 394 L CB 2.046 43.573 42.059 -0.887 0.000 1.298 394 L HN 0.708 nan 8.230 nan 0.000 0.420 395 K N 1.986 122.138 120.400 -0.413 0.000 2.443 395 K HA 0.669 4.989 4.320 0.000 0.000 0.252 395 K C -1.679 174.550 176.600 -0.618 0.000 0.933 395 K CA -0.566 55.411 56.287 -0.517 0.000 0.792 395 K CB 2.389 34.653 32.500 -0.394 0.000 1.185 395 K HN 0.362 nan 8.250 nan 0.000 0.425 396 V N 4.329 123.770 119.914 -0.787 0.000 2.384 396 V HA 0.440 4.560 4.120 0.000 0.000 0.287 396 V C -1.186 174.581 176.094 -0.545 0.000 1.020 396 V CA -0.649 61.280 62.300 -0.618 0.000 0.850 396 V CB 0.851 32.258 31.823 -0.695 0.000 0.987 396 V HN 0.706 nan 8.190 nan 0.000 0.436 397 W N 2.212 123.448 121.300 -0.106 0.000 2.529 397 W HA 0.578 5.239 4.660 0.000 0.000 0.321 397 W C 0.360 176.936 176.519 0.095 0.000 1.047 397 W CA -0.545 56.800 57.345 0.001 0.000 1.216 397 W CB 1.718 31.143 29.460 -0.058 0.000 1.357 397 W HN 0.385 nan 8.180 nan 0.000 0.489 398 T N 4.470 119.262 114.554 0.395 0.000 2.856 398 T HA 0.413 4.763 4.350 0.000 0.000 0.292 398 T C 0.076 174.920 174.700 0.240 0.000 0.980 398 T CA -0.369 61.924 62.100 0.323 0.000 1.091 398 T CB 0.565 69.586 68.868 0.254 0.000 0.936 398 T HN 0.133 nan 8.240 nan 0.000 0.503 399 I N 2.279 122.965 120.570 0.193 0.000 2.396 399 I HA 0.228 4.398 4.170 0.000 0.000 0.292 399 I C 0.945 177.128 176.117 0.110 0.000 0.999 399 I CA -0.523 60.859 61.300 0.136 0.000 1.310 399 I CB 1.495 39.568 38.000 0.123 0.000 1.404 399 I HN 0.547 nan 8.210 nan 0.000 0.496 400 S N 5.294 121.043 115.700 0.081 0.000 2.564 400 S HA 0.170 4.640 4.470 0.000 0.000 0.278 400 S C 1.071 175.707 174.600 0.061 0.000 1.333 400 S CA -0.409 57.830 58.200 0.065 0.000 1.048 400 S CB 0.658 63.888 63.200 0.050 0.000 0.900 400 S HN 0.604 nan 8.310 nan 0.000 0.505 401 M N 3.713 123.349 119.600 0.059 0.000 2.632 401 M HA 0.024 4.504 4.480 0.000 0.000 0.256 401 M C 1.892 178.216 176.300 0.041 0.000 1.080 401 M CA 0.924 56.260 55.300 0.061 0.000 1.084 401 M CB -0.129 32.518 32.600 0.078 0.000 1.439 401 M HN 0.623 nan 8.290 nan 0.000 0.509 402 R N -0.516 120.006 120.500 0.036 0.000 2.240 402 R HA 0.001 4.341 4.340 0.000 0.000 0.203 402 R C 1.819 178.123 176.300 0.007 0.000 1.011 402 R CA 0.614 56.729 56.100 0.025 0.000 1.007 402 R CB 0.155 30.472 30.300 0.029 0.000 0.911 402 R HN 0.388 nan 8.270 nan 0.000 0.468 403 Q N -0.404 119.404 119.800 0.014 0.000 2.402 403 Q HA 0.129 4.469 4.340 0.000 0.000 0.231 403 Q C -0.147 175.910 176.000 0.095 0.000 0.888 403 Q CA 0.427 56.242 55.803 0.020 0.000 0.938 403 Q CB 0.538 29.271 28.738 -0.009 0.000 1.086 403 Q HN 0.066 nan 8.270 nan 0.000 0.543 404 N N -0.588 118.151 118.700 0.066 0.000 2.225 404 N HA 0.231 4.971 4.740 0.000 0.000 0.298 404 N C -1.293 174.195 175.510 -0.037 0.000 1.076 404 N CA -0.381 52.749 53.050 0.134 0.000 0.792 404 N CB 0.979 39.605 38.487 0.232 0.000 1.498 404 N HN -0.190 nan 8.380 nan 0.000 0.474 405 Y N 0.383 120.716 120.300 0.054 0.000 2.223 405 Y HA 0.071 4.621 4.550 0.000 0.000 0.352 405 Y C 0.868 176.834 175.900 0.109 0.000 1.293 405 Y CA -0.107 57.963 58.100 -0.051 0.000 1.601 405 Y CB 0.264 38.516 38.460 -0.348 0.000 1.407 405 Y HN 0.410 nan 8.280 nan 0.000 0.639 406 W N 2.288 123.658 121.300 0.117 0.000 2.551 406 W HA -0.044 4.616 4.660 0.000 0.000 0.336 406 W C 0.217 176.813 176.519 0.129 0.000 1.158 406 W CA 0.235 57.652 57.345 0.120 0.000 1.258 406 W CB 0.096 29.596 29.460 0.067 0.000 1.157 406 W HN 0.634 nan 8.180 nan 0.000 0.562 407 G N 5.367 114.173 108.800 0.011 0.000 2.313 407 G HA2 0.340 4.300 3.960 0.000 0.000 0.250 407 G HA3 0.340 4.300 3.960 0.000 0.000 0.250 407 G C -0.752 174.311 174.900 0.272 0.000 1.281 407 G CA -0.066 45.124 45.100 0.150 0.000 0.917 407 G HN 0.482 nan 8.290 nan 0.000 0.501 408 S N 1.073 116.860 115.700 0.146 0.000 2.705 408 S HA 0.378 4.849 4.470 0.000 0.000 0.280 408 S C -0.468 173.771 174.600 -0.601 0.000 1.174 408 S CA -1.006 57.049 58.200 -0.241 0.000 0.823 408 S CB 1.475 64.659 63.200 -0.027 0.000 1.162 408 S HN 0.735 nan 8.310 nan 0.000 0.487 409 E N -0.074 119.674 120.200 -0.753 0.000 2.438 409 E HA 0.455 4.805 4.350 0.000 0.000 0.261 409 E C 0.405 177.066 176.600 0.101 0.000 1.103 409 E CA 0.102 56.352 56.400 -0.251 0.000 0.959 409 E CB 0.282 30.016 29.700 0.058 0.000 0.958 409 E HN 0.784 nan 8.360 nan 0.000 0.447 410 G N 0.341 109.373 108.800 0.387 0.000 2.341 410 G HA2 0.445 4.405 3.960 0.000 0.000 0.299 410 G HA3 0.445 4.405 3.960 0.000 0.000 0.299 410 G C -1.574 173.665 174.900 0.566 0.000 1.274 410 G CA -0.663 44.678 45.100 0.402 0.000 0.853 410 G HN 0.615 nan 8.290 nan 0.000 0.493 411 R N -1.413 119.362 120.500 0.459 0.000 2.716 411 R HA 0.747 5.087 4.340 0.000 0.000 0.271 411 R C -1.961 174.501 176.300 0.269 0.000 1.028 411 R CA -0.965 55.366 56.100 0.384 0.000 0.883 411 R CB 0.858 31.419 30.300 0.435 0.000 1.250 411 R HN 0.556 nan 8.270 nan 0.000 0.465 412 L N 1.821 123.165 121.223 0.202 0.000 2.333 412 L HA 0.652 4.992 4.340 0.000 0.000 0.269 412 L C -0.876 176.066 176.870 0.120 0.000 1.010 412 L CA -1.196 53.723 54.840 0.132 0.000 0.818 412 L CB 2.122 44.224 42.059 0.072 0.000 1.306 412 L HN 0.468 nan 8.230 nan 0.000 0.430 413 L N 3.359 124.647 121.223 0.109 0.000 2.439 413 L HA 0.405 4.745 4.340 0.000 0.000 0.270 413 L C -1.216 175.734 176.870 0.134 0.000 0.972 413 L CA -0.499 54.401 54.840 0.100 0.000 0.836 413 L CB 2.401 44.459 42.059 -0.001 0.000 1.255 413 L HN 0.334 nan 8.230 nan 0.000 0.404 414 L N 5.555 126.843 121.223 0.109 0.000 2.264 414 L HA 0.575 4.915 4.340 0.000 0.000 0.287 414 L C -1.181 175.778 176.870 0.148 0.000 1.039 414 L CA 0.094 54.999 54.840 0.108 0.000 0.829 414 L CB 0.692 42.805 42.059 0.090 0.000 1.211 414 L HN 0.434 nan 8.230 nan 0.000 0.427 415 L N 6.169 127.511 121.223 0.198 0.000 2.376 415 L HA 0.767 5.107 4.340 0.000 0.000 0.275 415 L C 0.948 177.934 176.870 0.194 0.000 0.987 415 L CA -0.217 54.741 54.840 0.197 0.000 0.828 415 L CB 1.433 43.597 42.059 0.175 0.000 1.249 415 L HN 0.853 nan 8.230 nan 0.000 0.409 416 G N 3.256 112.147 108.800 0.152 0.000 2.561 416 G HA2 -0.374 3.586 3.960 0.000 0.000 0.289 416 G HA3 -0.374 3.586 3.960 0.000 0.000 0.289 416 G C 0.387 175.348 174.900 0.101 0.000 1.169 416 G CA 0.683 45.859 45.100 0.127 0.000 0.980 416 G HN 0.702 nan 8.290 nan 0.000 0.550 417 N N 1.439 120.185 118.700 0.076 0.000 2.282 417 N HA 0.245 4.985 4.740 0.000 0.000 0.240 417 N C -0.272 175.245 175.510 0.011 0.000 1.182 417 N CA 0.299 53.383 53.050 0.057 0.000 0.874 417 N CB 0.121 38.634 38.487 0.043 0.000 1.126 417 N HN 0.560 nan 8.380 nan 0.000 0.516 418 K N 0.374 120.760 120.400 -0.022 0.000 2.259 418 K HA 0.439 4.759 4.320 0.000 0.000 0.252 418 K C -0.543 175.923 176.600 -0.223 0.000 0.936 418 K CA -0.676 55.497 56.287 -0.190 0.000 0.810 418 K CB 2.382 34.665 32.500 -0.361 0.000 1.143 418 K HN 0.004 nan 8.250 nan 0.000 0.427 419 I N 3.530 123.911 120.570 -0.315 0.000 2.307 419 I HA 0.203 4.374 4.170 0.000 0.000 0.289 419 I C -0.803 175.140 176.117 -0.290 0.000 1.021 419 I CA -0.811 60.344 61.300 -0.242 0.000 1.224 419 I CB 0.246 38.060 38.000 -0.310 0.000 1.376 419 I HN 0.395 nan 8.210 nan 0.000 0.470 420 Y N 6.530 126.770 120.300 -0.099 0.000 2.308 420 Y HA 0.476 5.026 4.550 0.000 0.000 0.329 420 Y C 0.192 176.065 175.900 -0.045 0.000 1.111 420 Y CA -0.524 57.528 58.100 -0.080 0.000 1.179 420 Y CB 1.224 39.634 38.460 -0.084 0.000 1.201 420 Y HN 0.447 nan 8.280 nan 0.000 0.483 421 I N 4.308 124.931 120.570 0.088 0.000 2.404 421 I HA 0.404 4.574 4.170 0.000 0.000 0.293 421 I C -1.720 174.545 176.117 0.247 0.000 0.992 421 I CA -1.005 60.357 61.300 0.104 0.000 1.149 421 I CB 1.095 39.074 38.000 -0.035 0.000 1.315 421 I HN 0.659 nan 8.210 nan 0.000 0.446 422 Y N 6.794 127.187 120.300 0.156 0.000 2.376 422 Y HA 0.660 5.210 4.550 0.000 0.000 0.340 422 Y C -0.830 175.145 175.900 0.125 0.000 0.965 422 Y CA -0.445 57.736 58.100 0.135 0.000 1.078 422 Y CB 1.657 40.113 38.460 -0.007 0.000 1.193 422 Y HN 0.646 nan 8.280 nan 0.000 0.452 423 T N 3.817 117.839 114.554 -0.887 0.000 2.900 423 T HA 0.442 4.792 4.350 0.000 0.000 0.295 423 T C -0.740 173.236 174.700 -1.207 0.000 1.044 423 T CA -1.185 60.454 62.100 -0.768 0.000 0.995 423 T CB 1.646 70.408 68.868 -0.177 0.000 1.072 423 T HN 0.916 nan 8.240 nan 0.000 0.473 424 R N 1.502 121.567 120.500 -0.725 0.000 2.537 424 R HA 0.260 4.600 4.340 0.000 0.000 0.280 424 R C -0.483 175.607 176.300 -0.349 0.000 1.058 424 R CA -0.160 55.687 56.100 -0.421 0.000 1.057 424 R CB 0.143 30.351 30.300 -0.153 0.000 0.973 424 R HN 0.639 nan 8.270 nan 0.000 0.438 425 S N 3.320 118.813 115.700 -0.345 0.000 3.530 425 S HA -0.021 4.449 4.470 0.000 0.000 0.279 425 S C 1.015 175.422 174.600 -0.321 0.000 1.280 425 S CA 0.007 57.984 58.200 -0.371 0.000 0.946 425 S CB 0.671 63.609 63.200 -0.436 0.000 1.501 425 S HN 0.783 nan 8.310 nan 0.000 0.498 426 T N -0.441 113.949 114.554 -0.273 0.000 3.129 426 T HA 0.176 4.526 4.350 0.000 0.000 0.251 426 T C 0.843 175.243 174.700 -0.500 0.000 1.117 426 T CA 0.277 62.188 62.100 -0.314 0.000 1.034 426 T CB 0.128 68.888 68.868 -0.181 0.000 0.968 426 T HN 0.340 nan 8.240 nan 0.000 0.526 427 S N -1.187 114.209 115.700 -0.506 0.000 3.137 427 S HA 0.482 4.952 4.470 0.000 0.000 0.292 427 S C 0.855 175.244 174.600 -0.353 0.000 1.041 427 S CA -0.295 57.597 58.200 -0.514 0.000 0.956 427 S CB 0.129 62.990 63.200 -0.565 0.000 1.360 427 S HN 0.552 nan 8.310 nan 0.000 0.690 428 W N 1.811 123.015 121.300 -0.160 0.000 2.350 428 W HA -0.055 4.605 4.660 0.000 0.000 0.289 428 W C 0.856 177.382 176.519 0.012 0.000 1.215 428 W CA 0.990 58.322 57.345 -0.021 0.000 1.236 428 W CB -1.189 28.313 29.460 0.070 0.000 1.130 428 W HN 0.640 nan 8.180 nan 0.000 0.541 429 H N 2.539 120.945 119.070 -1.107 0.000 3.205 429 H HA 0.165 4.721 4.556 0.000 0.000 0.262 429 H C 0.545 175.441 175.328 -0.719 0.000 1.333 429 H CA 0.482 55.883 56.048 -1.078 0.000 1.499 429 H CB 0.846 29.486 29.762 -1.869 0.000 1.609 429 H HN -0.069 nan 8.280 nan 0.000 0.498 430 S N 3.711 119.032 115.700 -0.631 0.000 2.496 430 S HA 0.006 4.476 4.470 0.000 0.000 0.224 430 S C 0.736 174.930 174.600 -0.677 0.000 0.996 430 S CA 0.202 58.070 58.200 -0.553 0.000 0.927 430 S CB 0.395 63.379 63.200 -0.360 0.000 0.774 430 S HN 0.585 nan 8.310 nan 0.000 0.524 431 K N 1.304 121.202 120.400 -0.837 0.000 2.168 431 K HA 0.223 4.543 4.320 0.000 0.000 0.258 431 K C -0.275 175.986 176.600 -0.565 0.000 1.010 431 K CA -0.670 55.200 56.287 -0.696 0.000 0.929 431 K CB 0.332 32.460 32.500 -0.621 0.000 0.998 431 K HN 0.026 nan 8.250 nan 0.000 0.479 432 L N 2.321 123.280 121.223 -0.440 0.000 2.678 432 L HA -0.169 4.171 4.340 0.000 0.000 0.285 432 L C -0.514 176.227 176.870 -0.215 0.000 1.233 432 L CA 1.366 56.016 54.840 -0.317 0.000 0.920 432 L CB -0.145 41.670 42.059 -0.407 0.000 1.176 432 L HN 0.469 nan 8.230 nan 0.000 0.495 433 Q N 5.499 125.169 119.800 -0.217 0.000 2.506 433 Q HA 0.512 4.852 4.340 0.000 0.000 0.242 433 Q C -1.330 174.768 176.000 0.164 0.000 1.060 433 Q CA -0.394 55.243 55.803 -0.277 0.000 0.826 433 Q CB 1.286 29.611 28.738 -0.689 0.000 1.169 433 Q HN 0.575 nan 8.270 nan 0.000 0.521 434 L N 1.351 122.843 121.223 0.448 0.000 2.438 434 L HA 0.879 5.219 4.340 0.000 0.000 0.270 434 L C -0.699 176.514 176.870 0.571 0.000 0.972 434 L CA -0.082 55.063 54.840 0.508 0.000 0.831 434 L CB 1.845 44.081 42.059 0.293 0.000 1.273 434 L HN 0.459 nan 8.230 nan 0.000 0.405 435 G N 4.326 113.325 108.800 0.332 0.000 2.749 435 G HA2 0.550 4.510 3.960 0.000 0.000 0.300 435 G HA3 0.550 4.510 3.960 0.000 0.000 0.300 435 G C -1.710 173.120 174.900 -0.117 0.000 1.352 435 G CA -0.689 44.444 45.100 0.055 0.000 0.789 435 G HN 0.347 nan 8.290 nan 0.000 0.509 436 I N 1.118 121.541 120.570 -0.245 0.000 2.336 436 I HA 0.461 4.631 4.170 0.000 0.000 0.292 436 I C -0.145 175.768 176.117 -0.339 0.000 0.991 436 I CA -0.774 60.323 61.300 -0.338 0.000 1.227 436 I CB 1.092 38.901 38.000 -0.319 0.000 1.366 436 I HN 0.396 nan 8.210 nan 0.000 0.466 437 I N 5.532 125.913 120.570 -0.315 0.000 2.460 437 I HA 0.323 4.493 4.170 0.000 0.000 0.298 437 I C -0.600 175.371 176.117 -0.244 0.000 0.989 437 I CA -0.329 60.802 61.300 -0.281 0.000 1.173 437 I CB 1.654 39.513 38.000 -0.236 0.000 1.338 437 I HN 0.481 nan 8.210 nan 0.000 0.456 438 D N 8.098 128.376 120.400 -0.204 0.000 2.414 438 D HA 0.282 4.922 4.640 0.000 0.000 0.232 438 D C 0.138 176.349 176.300 -0.149 0.000 1.070 438 D CA -0.353 53.543 54.000 -0.172 0.000 0.839 438 D CB 1.225 41.938 40.800 -0.145 0.000 1.079 438 D HN 0.561 nan 8.370 nan 0.000 0.521 439 I N 0.948 121.425 120.570 -0.155 0.000 3.736 439 I HA 0.199 4.369 4.170 0.000 0.000 0.338 439 I C 1.067 177.044 176.117 -0.233 0.000 1.558 439 I CA -0.517 60.711 61.300 -0.121 0.000 1.147 439 I CB 0.516 38.522 38.000 0.009 0.000 1.275 439 I HN 0.010 nan 8.210 nan 0.000 0.454 440 T N 0.976 115.414 114.554 -0.194 0.000 2.759 440 T HA -0.153 4.197 4.350 0.000 0.000 0.269 440 T C 0.609 175.090 174.700 -0.364 0.000 1.042 440 T CA 1.807 63.775 62.100 -0.221 0.000 1.140 440 T CB -0.237 68.543 68.868 -0.146 0.000 0.864 440 T HN 0.556 nan 8.240 nan 0.000 0.455 441 D N -0.533 119.663 120.400 -0.340 0.000 2.446 441 D HA 0.190 4.830 4.640 0.000 0.000 0.251 441 D C 0.366 176.435 176.300 -0.385 0.000 1.137 441 D CA -0.638 53.143 54.000 -0.364 0.000 0.890 441 D CB 0.103 40.776 40.800 -0.212 0.000 1.071 441 D HN 0.304 nan 8.370 nan 0.000 0.528 442 Y N 1.596 121.585 120.300 -0.517 0.000 2.283 442 Y HA -0.268 4.282 4.550 0.000 0.000 0.285 442 Y C 2.476 178.019 175.900 -0.595 0.000 1.176 442 Y CA 1.118 58.722 58.100 -0.828 0.000 1.229 442 Y CB 0.136 37.414 38.460 -1.971 0.000 0.975 442 Y HN 0.425 nan 8.280 nan 0.000 0.537 443 S N -1.314 114.202 115.700 -0.306 0.000 2.562 443 S HA -0.053 4.417 4.470 0.000 0.000 0.221 443 S C 0.303 174.899 174.600 -0.007 0.000 0.975 443 S CA 0.674 58.842 58.200 -0.052 0.000 0.918 443 S CB 0.150 63.348 63.200 -0.004 0.000 0.772 443 S HN 0.358 nan 8.310 nan 0.000 0.531 444 D N 0.629 120.995 120.400 -0.057 0.000 2.735 444 D HA 0.342 4.982 4.640 0.000 0.000 0.291 444 D C -0.736 175.533 176.300 -0.051 0.000 1.205 444 D CA -0.423 53.556 54.000 -0.035 0.000 0.777 444 D CB -0.021 40.752 40.800 -0.044 0.000 1.234 444 D HN 0.314 nan 8.370 nan 0.000 0.520 445 I N 1.836 122.392 120.570 -0.023 0.000 2.618 445 I HA 0.188 4.358 4.170 0.000 0.000 0.284 445 I C 0.792 176.874 176.117 -0.059 0.000 1.146 445 I CA 0.028 61.306 61.300 -0.036 0.000 1.425 445 I CB 0.478 38.486 38.000 0.015 0.000 1.383 445 I HN -0.002 nan 8.210 nan 0.000 0.562 446 R N 7.278 127.719 120.500 -0.099 0.000 2.562 446 R HA 0.695 5.035 4.340 0.000 0.000 0.298 446 R C -1.005 175.175 176.300 -0.200 0.000 0.961 446 R CA -0.870 55.156 56.100 -0.124 0.000 0.881 446 R CB 2.180 32.413 30.300 -0.113 0.000 1.159 446 R HN 0.535 nan 8.270 nan 0.000 0.450 447 I N 1.782 122.195 120.570 -0.262 0.000 2.466 447 I HA 0.294 4.464 4.170 0.000 0.000 0.289 447 I C -0.087 175.746 176.117 -0.474 0.000 1.026 447 I CA -0.647 60.366 61.300 -0.479 0.000 1.078 447 I CB 2.304 39.815 38.000 -0.814 0.000 1.249 447 I HN 0.296 nan 8.210 nan 0.000 0.429 448 K N 6.761 126.915 120.400 -0.409 0.000 2.354 448 K HA 0.301 4.621 4.320 0.000 0.000 0.257 448 K C -1.228 175.273 176.600 -0.166 0.000 1.062 448 K CA -0.540 55.616 56.287 -0.218 0.000 0.971 448 K CB 0.596 33.026 32.500 -0.116 0.000 1.305 448 K HN 0.429 nan 8.250 nan 0.000 0.449 449 W N 2.345 123.683 121.300 0.064 0.000 2.210 449 W HA 0.040 4.700 4.660 0.000 0.000 0.330 449 W C 0.448 177.053 176.519 0.144 0.000 1.334 449 W CA -0.337 57.078 57.345 0.116 0.000 1.227 449 W CB 0.774 30.328 29.460 0.158 0.000 1.178 449 W HN 0.320 nan 8.180 nan 0.000 0.560 450 T N 3.273 118.086 114.554 0.431 0.000 2.743 450 T HA 0.008 4.358 4.350 0.000 0.000 0.293 450 T C -0.713 174.175 174.700 0.313 0.000 0.945 450 T CA -0.530 61.751 62.100 0.303 0.000 1.030 450 T CB 0.150 69.164 68.868 0.243 0.000 0.912 450 T HN 0.340 nan 8.240 nan 0.000 0.483 451 W N 5.506 126.853 121.300 0.079 0.000 2.417 451 W HA 0.063 4.724 4.660 0.000 0.000 0.332 451 W C -0.100 176.354 176.519 -0.107 0.000 1.413 451 W CA 0.271 57.643 57.345 0.044 0.000 1.299 451 W CB -0.018 29.458 29.460 0.027 0.000 1.304 451 W HN 0.588 nan 8.180 nan 0.000 0.565 452 H N 5.401 124.128 119.070 -0.571 0.000 2.609 452 H HA 0.105 4.661 4.556 0.000 0.000 0.344 452 H C 0.051 174.816 175.328 -0.938 0.000 1.040 452 H CA -0.407 55.285 56.048 -0.592 0.000 1.216 452 H CB 1.848 31.430 29.762 -0.300 0.000 1.529 452 H HN 0.510 nan 8.280 nan 0.000 0.519 453 N N 1.966 120.142 118.700 -0.873 0.000 2.348 453 N HA -0.059 4.681 4.740 0.000 0.000 0.183 453 N C 1.353 176.686 175.510 -0.296 0.000 1.094 453 N CA 0.560 53.173 53.050 -0.728 0.000 0.885 453 N CB 0.771 38.731 38.487 -0.878 0.000 1.065 453 N HN 0.378 nan 8.380 nan 0.000 0.472 454 V N -2.036 117.776 119.914 -0.170 0.000 3.379 454 V HA 0.421 4.541 4.120 0.000 0.000 0.249 454 V C 0.630 176.732 176.094 0.014 0.000 1.184 454 V CA -0.006 62.283 62.300 -0.018 0.000 1.106 454 V CB -0.202 31.648 31.823 0.045 0.000 0.826 454 V HN -0.077 nan 8.190 nan 0.000 0.465 455 L N 1.596 122.748 121.223 -0.118 0.000 2.326 455 L HA 0.671 5.011 4.340 0.000 0.000 0.278 455 L C 0.305 176.826 176.870 -0.582 0.000 1.092 455 L CA 0.561 55.266 54.840 -0.225 0.000 0.810 455 L CB 1.343 43.263 42.059 -0.233 0.000 1.153 455 L HN 0.384 nan 8.230 nan 0.000 0.439 456 S N 2.215 117.245 115.700 -1.117 0.000 3.576 456 S HA 0.709 5.179 4.470 0.000 0.000 0.321 456 S C -1.583 172.250 174.600 -1.278 0.000 1.174 456 S CA -0.665 56.704 58.200 -1.384 0.000 1.102 456 S CB 1.546 63.618 63.200 -1.881 0.000 1.467 456 S HN 0.732 nan 8.310 nan 0.000 0.701 457 R N 0.707 120.609 120.500 -0.997 0.000 2.716 457 R HA 0.492 4.832 4.340 0.000 0.000 0.271 457 R C -3.517 172.782 176.300 -0.003 0.000 1.028 457 R CA -1.665 54.250 56.100 -0.308 0.000 0.883 457 R CB 0.709 30.859 30.300 -0.250 0.000 1.250 457 R HN 0.487 nan 8.270 nan 0.000 0.465 458 P HA 0.224 nan 4.420 nan 0.000 0.276 458 P C -0.407 176.888 177.300 -0.008 0.000 1.230 458 P CA 0.198 63.368 63.100 0.116 0.000 0.776 458 P CB 1.418 33.167 31.700 0.082 0.000 0.888 459 G N 2.881 111.669 108.800 -0.020 0.000 3.392 459 G HA2 0.450 4.410 3.960 0.000 0.000 0.185 459 G HA3 0.450 4.410 3.960 0.000 0.000 0.185 459 G C -0.363 174.481 174.900 -0.094 0.000 1.206 459 G CA -0.300 44.744 45.100 -0.093 0.000 0.776 459 G HN 0.667 nan 8.290 nan 0.000 0.697 460 N N -1.549 117.079 118.700 -0.121 0.000 3.343 460 N HA 0.240 4.980 4.740 0.000 0.000 0.330 460 N C 0.446 175.889 175.510 -0.111 0.000 1.560 460 N CA -0.782 52.197 53.050 -0.118 0.000 0.752 460 N CB 0.145 38.540 38.487 -0.153 0.000 1.863 460 N HN 0.162 nan 8.380 nan 0.000 0.636 461 N N 0.007 118.645 118.700 -0.103 0.000 2.120 461 N HA -0.129 4.611 4.740 0.000 0.000 0.188 461 N C 0.875 176.315 175.510 -0.116 0.000 1.024 461 N CA 1.378 54.375 53.050 -0.088 0.000 0.852 461 N CB -0.103 38.341 38.487 -0.072 0.000 1.003 461 N HN 0.642 nan 8.380 nan 0.000 0.424 462 E N -0.222 119.879 120.200 -0.165 0.000 2.112 462 E HA -0.005 4.345 4.350 0.000 0.000 0.190 462 E C 0.486 176.806 176.600 -0.467 0.000 0.979 462 E CA 0.436 56.700 56.400 -0.227 0.000 0.814 462 E CB -0.181 29.401 29.700 -0.196 0.000 0.762 462 E HN 0.204 nan 8.360 nan 0.000 0.460 463 c N 3.738 122.085 118.600 -0.422 0.000 3.335 463 c HA 0.407 4.977 4.570 0.000 0.000 0.217 463 c C -2.309 171.648 174.090 -0.222 0.000 1.330 463 c CA -1.434 54.568 56.329 -0.545 0.000 1.470 463 c CB 0.461 42.726 42.510 -0.409 0.000 1.806 463 c HN 0.260 nan 8.230 nan 0.000 0.468 464 P HA 0.077 nan 4.420 nan 0.000 0.282 464 P C 0.155 177.507 177.300 0.087 0.000 1.287 464 P CA -0.406 62.701 63.100 0.011 0.000 0.792 464 P CB 0.700 32.426 31.700 0.043 0.000 1.163 465 W N 0.675 121.935 121.300 -0.068 0.000 2.493 465 W HA 0.009 4.670 4.660 0.000 0.000 0.337 465 W C 0.917 177.401 176.519 -0.057 0.000 1.234 465 W CA 2.659 59.959 57.345 -0.076 0.000 1.286 465 W CB -1.031 28.384 29.460 -0.075 0.000 1.188 465 W HN 0.893 nan 8.180 nan 0.000 0.564 466 G N 3.092 111.712 108.800 -0.301 0.000 2.212 466 G HA2 -0.386 3.574 3.960 0.000 0.000 0.266 466 G HA3 -0.386 3.574 3.960 0.000 0.000 0.266 466 G C 0.355 175.215 174.900 -0.066 0.000 0.978 466 G CA 0.640 45.652 45.100 -0.146 0.000 0.632 466 G HN 1.006 nan 8.290 nan 0.000 0.537 467 H N 1.164 120.171 119.070 -0.105 0.000 2.948 467 H HA 0.428 4.985 4.556 0.000 0.000 0.351 467 H C 1.372 176.665 175.328 -0.058 0.000 1.079 467 H CA 1.655 57.673 56.048 -0.049 0.000 1.407 467 H CB 0.730 30.473 29.762 -0.032 0.000 1.373 467 H HN 0.538 nan 8.280 nan 0.000 0.605 468 S N 2.164 117.615 115.700 -0.414 0.000 3.093 468 S HA 0.235 4.705 4.470 0.000 0.000 0.251 468 S C -0.812 173.807 174.600 0.032 0.000 0.905 468 S CA -0.613 57.541 58.200 -0.076 0.000 1.124 468 S CB -0.872 62.288 63.200 -0.066 0.000 1.124 468 S HN 0.436 nan 8.310 nan 0.000 0.574 469 c N 2.643 121.095 118.600 -0.247 0.000 2.507 469 c HA 0.693 5.263 4.570 0.000 0.000 0.319 469 c C -2.667 171.265 174.090 -0.264 0.000 1.208 469 c CA -1.641 54.551 56.329 -0.228 0.000 1.619 469 c CB 1.385 43.743 42.510 -0.253 0.000 2.230 469 c HN 0.309 nan 8.230 nan 0.000 0.492 470 P HA 0.086 nan 4.420 nan 0.000 0.259 470 P C -0.577 176.428 177.300 -0.491 0.000 1.163 470 P CA 1.150 63.471 63.100 -1.297 0.000 0.760 470 P CB 0.322 31.506 31.700 -0.860 0.000 0.762 471 D N 1.494 121.698 120.400 -0.328 0.000 2.685 471 D HA 0.281 4.921 4.640 0.000 0.000 0.236 471 D C -0.585 175.734 176.300 0.033 0.000 1.233 471 D CA -0.487 53.481 54.000 -0.052 0.000 0.760 471 D CB 2.013 42.827 40.800 0.023 0.000 1.410 471 D HN 0.291 nan 8.370 nan 0.000 0.439 472 G N 0.586 109.371 108.800 -0.024 0.000 2.338 472 G HA2 0.554 4.514 3.960 0.000 0.000 0.295 472 G HA3 0.554 4.514 3.960 0.000 0.000 0.295 472 G C 0.126 174.952 174.900 -0.123 0.000 1.132 472 G CA -0.097 44.979 45.100 -0.040 0.000 0.922 472 G HN 0.636 nan 8.290 nan 0.000 0.427 473 c N 1.501 119.969 118.600 -0.219 0.000 3.254 473 c HA 0.629 5.199 4.570 0.000 0.000 0.405 473 c C -0.798 172.984 174.090 -0.514 0.000 1.027 473 c CA -1.370 54.770 56.329 -0.316 0.000 1.192 473 c CB 0.190 42.542 42.510 -0.264 0.000 1.567 473 c HN 0.653 nan 8.230 nan 0.000 0.582 474 I N 3.007 123.260 120.570 -0.528 0.000 2.439 474 I HA 0.708 4.878 4.170 0.000 0.000 0.283 474 I C 0.336 176.201 176.117 -0.420 0.000 1.023 474 I CA 0.374 61.321 61.300 -0.587 0.000 1.100 474 I CB 1.765 39.425 38.000 -0.567 0.000 1.238 474 I HN 1.059 nan 8.210 nan 0.000 0.445 475 T N 3.234 117.579 114.554 -0.349 0.000 2.641 475 T HA 0.718 5.068 4.350 0.000 0.000 0.278 475 T C -0.156 174.417 174.700 -0.211 0.000 1.295 475 T CA 0.482 62.430 62.100 -0.253 0.000 1.102 475 T CB 0.709 69.431 68.868 -0.243 0.000 1.820 475 T HN 1.138 nan 8.240 nan 0.000 0.444 476 G N -0.243 108.449 108.800 -0.179 0.000 2.741 476 G HA2 0.222 4.182 3.960 0.000 0.000 0.222 476 G HA3 0.222 4.182 3.960 0.000 0.000 0.222 476 G C -0.533 174.286 174.900 -0.135 0.000 1.364 476 G CA 0.064 45.064 45.100 -0.166 0.000 0.866 476 G HN 1.747 nan 8.290 nan 0.000 0.555 477 V N -0.860 118.973 119.914 -0.136 0.000 3.167 477 V HA 0.609 4.729 4.120 0.000 0.000 0.293 477 V C -0.749 175.270 176.094 -0.124 0.000 1.379 477 V CA -0.508 61.701 62.300 -0.152 0.000 1.019 477 V CB 1.848 33.605 31.823 -0.110 0.000 1.115 477 V HN 1.742 nan 8.190 nan 0.000 0.442 478 Y N 4.419 124.492 120.300 -0.379 0.000 2.496 478 Y HA 0.524 5.074 4.550 0.000 0.000 0.334 478 Y C 0.616 176.468 175.900 -0.081 0.000 1.080 478 Y CA 1.222 59.207 58.100 -0.192 0.000 1.355 478 Y CB 0.895 39.166 38.460 -0.314 0.000 1.193 478 Y HN 0.791 nan 8.280 nan 0.000 0.523 479 T N 2.854 117.310 114.554 -0.163 0.000 3.160 479 T HA 0.214 4.564 4.350 0.000 0.000 0.346 479 T C -1.041 173.300 174.700 -0.599 0.000 1.027 479 T CA -1.065 60.927 62.100 -0.181 0.000 1.287 479 T CB -0.214 68.598 68.868 -0.093 0.000 0.997 479 T HN 0.647 nan 8.240 nan 0.000 0.518 480 D N 2.323 122.167 120.400 -0.927 0.000 2.360 480 D HA 0.536 5.176 4.640 0.000 0.000 0.242 480 D C 0.087 175.949 176.300 -0.729 0.000 1.184 480 D CA -0.642 52.461 54.000 -1.495 0.000 0.930 480 D CB 0.663 40.774 40.800 -1.147 0.000 1.161 480 D HN 0.769 nan 8.370 nan 0.000 0.447 481 A N 0.367 122.790 122.820 -0.662 0.000 2.386 481 A HA 0.506 4.826 4.320 0.000 0.000 0.311 481 A C -1.765 175.705 177.584 -0.190 0.000 1.068 481 A CA -0.890 50.958 52.037 -0.314 0.000 0.743 481 A CB 0.888 19.711 19.000 -0.296 0.000 1.258 481 A HN 0.601 nan 8.150 nan 0.000 0.429 482 Y N 4.240 124.413 120.300 -0.212 0.000 2.331 482 Y HA 0.508 5.058 4.550 0.000 0.000 0.338 482 Y C -2.228 173.546 175.900 -0.211 0.000 0.976 482 Y CA -2.179 55.803 58.100 -0.196 0.000 1.137 482 Y CB 1.914 40.276 38.460 -0.163 0.000 1.172 482 Y HN 0.494 nan 8.280 nan 0.000 0.478 483 P HA 0.067 nan 4.420 nan 0.000 0.276 483 P C -0.198 176.996 177.300 -0.177 0.000 1.235 483 P CA 0.266 63.129 63.100 -0.395 0.000 0.772 483 P CB 1.699 32.926 31.700 -0.789 0.000 0.871 484 L N 1.664 122.827 121.223 -0.101 0.000 2.470 484 L HA 0.125 4.465 4.340 0.000 0.000 0.219 484 L C 1.108 177.927 176.870 -0.086 0.000 1.071 484 L CA 0.347 55.188 54.840 0.002 0.000 0.850 484 L CB -0.336 41.705 42.059 -0.031 0.000 1.040 484 L HN 0.441 nan 8.230 nan 0.000 0.475 485 N N -1.066 117.449 118.700 -0.309 0.000 2.362 485 N HA 0.301 5.042 4.740 0.000 0.000 0.299 485 N C -2.409 173.109 175.510 0.012 0.000 1.170 485 N CA -2.328 50.560 53.050 -0.269 0.000 0.825 485 N CB 0.846 38.925 38.487 -0.680 0.000 1.299 485 N HN -0.338 nan 8.380 nan 0.000 0.502 486 P HA -0.202 nan 4.420 nan 0.000 0.218 486 P C 1.024 178.461 177.300 0.228 0.000 1.154 486 P CA 2.542 65.764 63.100 0.203 0.000 0.872 486 P CB -0.044 31.755 31.700 0.165 0.000 0.790 487 T N -5.736 108.907 114.554 0.148 0.000 3.100 487 T HA 0.262 4.612 4.350 0.000 0.000 0.253 487 T C 1.435 176.262 174.700 0.213 0.000 1.118 487 T CA 0.462 62.651 62.100 0.148 0.000 1.058 487 T CB -1.025 67.898 68.868 0.093 0.000 0.953 487 T HN 0.273 nan 8.240 nan 0.000 0.515 488 G N 1.454 110.356 108.800 0.170 0.000 2.198 488 G HA2 -0.300 3.660 3.960 0.000 0.000 0.257 488 G HA3 -0.300 3.660 3.960 0.000 0.000 0.257 488 G C 0.859 175.865 174.900 0.177 0.000 1.042 488 G CA 0.731 45.907 45.100 0.126 0.000 0.791 488 G HN 1.105 nan 8.290 nan 0.000 0.502 489 S N -1.413 114.319 115.700 0.052 0.000 2.503 489 S HA 0.437 4.907 4.470 0.000 0.000 0.217 489 S C 0.874 175.482 174.600 0.013 0.000 0.999 489 S CA 0.344 58.502 58.200 -0.069 0.000 0.914 489 S CB 0.452 63.596 63.200 -0.093 0.000 0.782 489 S HN 0.544 nan 8.310 nan 0.000 0.520 490 I N 2.942 123.481 120.570 -0.052 0.000 2.362 490 I HA 0.540 4.710 4.170 0.000 0.000 0.289 490 I C -0.464 175.606 176.117 -0.078 0.000 0.994 490 I CA -0.939 60.300 61.300 -0.102 0.000 1.158 490 I CB 1.909 39.679 38.000 -0.383 0.000 1.315 490 I HN 0.175 nan 8.210 nan 0.000 0.451 491 V N 2.078 121.996 119.914 0.006 0.000 3.167 491 V HA 0.714 4.834 4.120 0.000 0.000 0.310 491 V C -0.692 175.380 176.094 -0.036 0.000 1.207 491 V CA -0.637 61.651 62.300 -0.020 0.000 1.059 491 V CB 2.009 33.786 31.823 -0.077 0.000 1.079 491 V HN 0.626 nan 8.190 nan 0.000 0.446 492 S N 0.591 116.239 115.700 -0.088 0.000 2.500 492 S HA 0.867 5.337 4.470 0.000 0.000 0.301 492 S C -0.659 173.824 174.600 -0.194 0.000 1.092 492 S CA 0.335 58.352 58.200 -0.305 0.000 1.030 492 S CB 1.226 64.273 63.200 -0.255 0.000 1.031 492 S HN 2.002 nan 8.310 nan 0.000 0.483 493 S N 2.740 118.300 115.700 -0.232 0.000 2.595 493 S HA 0.558 5.028 4.470 0.000 0.000 0.270 493 S C -2.035 172.473 174.600 -0.154 0.000 1.145 493 S CA -0.528 57.584 58.200 -0.147 0.000 0.825 493 S CB 1.078 64.163 63.200 -0.191 0.000 1.107 493 S HN 0.658 nan 8.310 nan 0.000 0.461 494 V N 4.328 124.183 119.914 -0.098 0.000 2.304 494 V HA 0.466 4.586 4.120 0.000 0.000 0.278 494 V C 0.229 176.279 176.094 -0.075 0.000 1.018 494 V CA -0.575 61.651 62.300 -0.123 0.000 0.814 494 V CB 0.234 32.002 31.823 -0.092 0.000 1.021 494 V HN 0.726 nan 8.190 nan 0.000 0.440 495 I N 2.397 122.934 120.570 -0.055 0.000 2.797 495 I HA 0.597 4.767 4.170 0.000 0.000 0.310 495 I C -0.433 175.711 176.117 0.045 0.000 0.990 495 I CA -0.786 60.529 61.300 0.024 0.000 1.228 495 I CB 1.319 39.407 38.000 0.147 0.000 1.406 495 I HN 0.288 nan 8.210 nan 0.000 0.534 496 L N 2.912 124.200 121.223 0.109 0.000 2.272 496 L HA 0.262 4.602 4.340 0.000 0.000 0.284 496 L C -0.491 176.459 176.870 0.134 0.000 1.045 496 L CA -0.309 54.575 54.840 0.074 0.000 0.842 496 L CB 0.556 42.653 42.059 0.063 0.000 1.224 496 L HN 0.627 nan 8.230 nan 0.000 0.430 497 D N 2.520 122.904 120.400 -0.027 0.000 2.545 497 D HA 0.140 4.780 4.640 0.000 0.000 0.227 497 D C -0.203 175.901 176.300 -0.326 0.000 1.150 497 D CA 0.566 54.392 54.000 -0.291 0.000 1.046 497 D CB 0.387 41.022 40.800 -0.275 0.000 1.098 497 D HN 0.400 nan 8.370 nan 0.000 0.502 498 S N 1.760 117.308 115.700 -0.254 0.000 2.570 498 S HA 0.211 4.681 4.470 0.000 0.000 0.270 498 S C 0.673 175.245 174.600 -0.046 0.000 1.149 498 S CA -0.622 57.484 58.200 -0.157 0.000 0.837 498 S CB 1.552 64.719 63.200 -0.055 0.000 1.124 498 S HN 0.280 nan 8.310 nan 0.000 0.465 499 Q N 1.172 120.940 119.800 -0.053 0.000 2.049 499 Q HA 0.062 4.402 4.340 0.000 0.000 0.198 499 Q C 0.322 176.368 176.000 0.076 0.000 0.971 499 Q CA 1.144 56.974 55.803 0.045 0.000 0.833 499 Q CB -0.041 28.693 28.738 -0.006 0.000 0.896 499 Q HN 0.728 nan 8.270 nan 0.000 0.434 500 K N -1.495 118.917 120.400 0.020 0.000 2.972 500 K HA 0.355 4.675 4.320 0.000 0.000 0.187 500 K C -0.813 175.778 176.600 -0.015 0.000 1.122 500 K CA -0.131 56.156 56.287 -0.001 0.000 1.080 500 K CB 0.991 33.477 32.500 -0.024 0.000 0.720 500 K HN -0.193 nan 8.250 nan 0.000 0.429 501 S N 1.101 116.797 115.700 -0.006 0.000 2.538 501 S HA 0.390 4.860 4.470 0.000 0.000 0.288 501 S C -0.503 174.096 174.600 -0.000 0.000 1.108 501 S CA -0.894 57.300 58.200 -0.011 0.000 0.971 501 S CB 1.721 64.910 63.200 -0.017 0.000 1.041 501 S HN 0.253 nan 8.310 nan 0.000 0.483 502 R N 2.272 122.773 120.500 0.002 0.000 3.710 502 R HA 0.325 4.665 4.340 0.000 0.000 0.201 502 R C -0.086 176.222 176.300 0.013 0.000 1.641 502 R CA -0.171 55.936 56.100 0.012 0.000 1.390 502 R CB -0.540 29.769 30.300 0.015 0.000 1.341 502 R HN 0.446 nan 8.270 nan 0.000 0.728 503 V N -2.630 117.286 119.914 0.003 0.000 3.182 503 V HA 0.413 4.534 4.120 0.000 0.000 0.308 503 V C 0.179 176.260 176.094 -0.022 0.000 1.240 503 V CA -1.263 61.034 62.300 -0.006 0.000 1.063 503 V CB 2.026 33.842 31.823 -0.013 0.000 1.076 503 V HN 0.803 nan 8.190 nan 0.000 0.446 504 N N 1.011 119.691 118.700 -0.032 0.000 2.708 504 N HA -0.083 4.657 4.740 0.000 0.000 0.255 504 N C -2.368 173.101 175.510 -0.069 0.000 1.046 504 N CA 0.404 53.420 53.050 -0.057 0.000 0.715 504 N CB -0.198 38.243 38.487 -0.076 0.000 0.895 504 N HN 0.816 nan 8.380 nan 0.000 0.545 505 P HA 0.097 nan 4.420 nan 0.000 0.268 505 P C -0.520 176.690 177.300 -0.151 0.000 1.204 505 P CA 0.089 63.128 63.100 -0.101 0.000 0.768 505 P CB 1.307 32.935 31.700 -0.121 0.000 0.842 506 V N 5.573 125.402 119.914 -0.142 0.000 2.577 506 V HA 0.304 4.424 4.120 0.000 0.000 0.303 506 V C 0.583 176.560 176.094 -0.194 0.000 1.042 506 V CA -0.771 61.435 62.300 -0.157 0.000 0.872 506 V CB 1.845 33.603 31.823 -0.109 0.000 0.998 506 V HN 0.415 nan 8.190 nan 0.000 0.423 507 I N 4.010 124.424 120.570 -0.260 0.000 2.471 507 I HA 0.372 4.542 4.170 0.000 0.000 0.286 507 I C 0.454 176.433 176.117 -0.231 0.000 1.079 507 I CA 0.575 61.662 61.300 -0.354 0.000 1.398 507 I CB 1.327 39.039 38.000 -0.480 0.000 1.403 507 I HN 0.680 nan 8.210 nan 0.000 0.530 508 T N 5.660 120.053 114.554 -0.269 0.000 2.912 508 T HA 0.493 4.844 4.350 0.000 0.000 0.299 508 T C -1.254 173.258 174.700 -0.312 0.000 1.052 508 T CA -0.431 61.565 62.100 -0.172 0.000 0.996 508 T CB 0.824 69.645 68.868 -0.077 0.000 1.070 508 T HN 0.277 nan 8.240 nan 0.000 0.465 509 Y N 2.406 122.716 120.300 0.015 0.000 2.334 509 Y HA 0.643 5.193 4.550 0.000 0.000 0.336 509 Y C 0.640 176.565 175.900 0.042 0.000 0.960 509 Y CA -0.383 57.741 58.100 0.041 0.000 1.164 509 Y CB 1.888 40.386 38.460 0.064 0.000 1.155 509 Y HN 0.646 nan 8.280 nan 0.000 0.478 510 S N 1.708 117.481 115.700 0.122 0.000 2.627 510 S HA 0.697 5.167 4.470 0.000 0.000 0.283 510 S C -0.579 174.085 174.600 0.107 0.000 1.127 510 S CA -0.421 57.839 58.200 0.099 0.000 0.863 510 S CB 1.716 64.946 63.200 0.050 0.000 1.121 510 S HN 0.537 nan 8.310 nan 0.000 0.479 511 T N 1.366 115.984 114.554 0.106 0.000 2.922 511 T HA 0.645 4.995 4.350 0.000 0.000 0.281 511 T C 1.399 176.150 174.700 0.084 0.000 1.005 511 T CA 0.145 62.301 62.100 0.094 0.000 0.982 511 T CB 1.130 70.055 68.868 0.094 0.000 1.158 511 T HN 0.783 nan 8.240 nan 0.000 0.566 512 A N 0.290 123.100 122.820 -0.017 0.000 2.019 512 A HA -0.028 4.293 4.320 0.000 0.000 0.219 512 A C 1.999 179.520 177.584 -0.105 0.000 1.164 512 A CA 2.158 54.089 52.037 -0.177 0.000 0.644 512 A CB -0.801 18.078 19.000 -0.201 0.000 0.805 512 A HN 0.853 nan 8.150 nan 0.000 0.449 513 T N -4.047 110.521 114.554 0.023 0.000 3.040 513 T HA 0.349 4.699 4.350 0.000 0.000 0.266 513 T C 0.095 174.832 174.700 0.062 0.000 1.005 513 T CA 0.265 62.398 62.100 0.054 0.000 0.906 513 T CB 0.168 69.126 68.868 0.149 0.000 1.082 513 T HN 0.428 nan 8.240 nan 0.000 0.531 514 E N 0.956 121.197 120.200 0.067 0.000 2.311 514 E HA 0.306 4.656 4.350 0.000 0.000 0.281 514 E C -1.206 175.439 176.600 0.075 0.000 0.905 514 E CA -0.717 55.725 56.400 0.070 0.000 0.778 514 E CB 1.528 31.273 29.700 0.075 0.000 1.240 514 E HN 0.157 nan 8.360 nan 0.000 0.410 515 R N 3.523 124.063 120.500 0.068 0.000 2.309 515 R HA 0.124 4.464 4.340 0.000 0.000 0.331 515 R C 0.871 177.214 176.300 0.073 0.000 1.116 515 R CA -0.109 56.032 56.100 0.069 0.000 0.970 515 R CB 0.754 31.087 30.300 0.054 0.000 1.024 515 R HN 0.356 nan 8.270 nan 0.000 0.472 516 V N 1.926 121.898 119.914 0.097 0.000 2.346 516 V HA -0.088 4.032 4.120 0.000 0.000 0.244 516 V C 0.833 176.980 176.094 0.088 0.000 1.037 516 V CA 1.201 63.558 62.300 0.095 0.000 1.029 516 V CB -0.354 31.540 31.823 0.119 0.000 0.663 516 V HN 0.676 nan 8.190 nan 0.000 0.454 517 N N 0.609 119.382 118.700 0.122 0.000 2.500 517 N HA 0.287 5.027 4.740 0.000 0.000 0.291 517 N C -1.138 174.465 175.510 0.155 0.000 1.092 517 N CA -0.352 52.764 53.050 0.110 0.000 0.890 517 N CB 1.805 40.344 38.487 0.085 0.000 1.466 517 N HN 0.709 nan 8.380 nan 0.000 0.507 518 E N 1.460 121.712 120.200 0.087 0.000 2.459 518 E HA 0.683 5.033 4.350 0.000 0.000 0.275 518 E C -1.452 175.159 176.600 0.017 0.000 0.987 518 E CA -1.081 55.353 56.400 0.058 0.000 0.828 518 E CB 2.273 31.980 29.700 0.011 0.000 1.428 518 E HN 0.222 nan 8.360 nan 0.000 0.457 519 L N 0.434 121.641 121.223 -0.026 0.000 2.562 519 L HA 0.672 5.012 4.340 0.000 0.000 0.266 519 L C -1.539 175.274 176.870 -0.095 0.000 0.949 519 L CA -0.302 54.510 54.840 -0.047 0.000 0.879 519 L CB 1.878 43.917 42.059 -0.032 0.000 1.278 519 L HN 0.841 nan 8.230 nan 0.000 0.404 520 A N 5.021 127.790 122.820 -0.084 0.000 2.401 520 A HA 0.426 4.746 4.320 0.000 0.000 0.259 520 A C 1.058 178.569 177.584 -0.122 0.000 1.103 520 A CA -0.175 51.798 52.037 -0.105 0.000 0.789 520 A CB 0.120 19.072 19.000 -0.080 0.000 1.035 520 A HN 0.902 nan 8.150 nan 0.000 0.491 521 I N 0.824 121.288 120.570 -0.177 0.000 2.546 521 I HA -0.091 4.079 4.170 0.000 0.000 0.255 521 I C 1.330 177.395 176.117 -0.086 0.000 1.163 521 I CA 1.135 62.310 61.300 -0.209 0.000 1.457 521 I CB 0.005 37.762 38.000 -0.405 0.000 1.092 521 I HN 0.717 nan 8.210 nan 0.000 0.434 522 L N -0.758 120.424 121.223 -0.068 0.000 3.147 522 L HA 0.288 4.628 4.340 0.000 0.000 0.188 522 L C -1.307 175.542 176.870 -0.035 0.000 1.446 522 L CA 0.052 54.875 54.840 -0.028 0.000 1.094 522 L CB -0.080 41.977 42.059 -0.003 0.000 1.795 522 L HN 0.338 nan 8.230 nan 0.000 0.559 523 N N -1.986 116.694 118.700 -0.033 0.000 3.449 523 N HA 0.272 5.012 4.740 0.000 0.000 0.312 523 N C -0.765 174.723 175.510 -0.038 0.000 1.557 523 N CA -0.488 52.539 53.050 -0.038 0.000 0.864 523 N CB 0.411 38.881 38.487 -0.028 0.000 1.799 523 N HN 0.058 nan 8.380 nan 0.000 0.554 524 R N -0.965 119.510 120.500 -0.041 0.000 2.328 524 R HA 0.152 4.492 4.340 0.000 0.000 0.200 524 R C 1.076 177.362 176.300 -0.023 0.000 0.983 524 R CA 1.044 57.120 56.100 -0.040 0.000 1.062 524 R CB -1.353 28.916 30.300 -0.051 0.000 0.956 524 R HN 0.834 nan 8.270 nan 0.000 0.479 525 T N -2.853 111.693 114.554 -0.013 0.000 3.037 525 T HA 0.142 4.493 4.350 0.000 0.000 0.251 525 T C 0.548 175.254 174.700 0.011 0.000 1.079 525 T CA -0.336 61.764 62.100 -0.001 0.000 1.067 525 T CB 0.053 68.922 68.868 0.003 0.000 0.948 525 T HN 0.092 nan 8.240 nan 0.000 0.496 526 L N 3.395 124.624 121.223 0.010 0.000 2.407 526 L HA 0.464 4.804 4.340 0.000 0.000 0.282 526 L C -0.258 176.625 176.870 0.022 0.000 1.110 526 L CA -0.135 54.720 54.840 0.025 0.000 0.863 526 L CB 0.156 42.227 42.059 0.021 0.000 1.207 526 L HN 0.100 nan 8.230 nan 0.000 0.454 527 S N 3.729 119.450 115.700 0.035 0.000 2.584 527 S HA 0.867 5.337 4.470 0.000 0.000 0.273 527 S C 0.027 174.651 174.600 0.040 0.000 1.311 527 S CA -0.086 58.133 58.200 0.032 0.000 1.034 527 S CB 1.281 64.502 63.200 0.035 0.000 0.939 527 S HN 0.931 nan 8.310 nan 0.000 0.513 528 A N 1.401 124.246 122.820 0.041 0.000 2.588 528 A HA 0.922 5.242 4.320 0.000 0.000 0.290 528 A C 0.074 177.705 177.584 0.078 0.000 1.136 528 A CA -0.239 51.834 52.037 0.059 0.000 0.681 528 A CB 0.967 19.998 19.000 0.052 0.000 1.282 528 A HN 0.893 nan 8.150 nan 0.000 0.421 529 G N -1.236 107.638 108.800 0.123 0.000 3.377 529 G HA2 0.514 4.474 3.960 0.000 0.000 0.182 529 G HA3 0.514 4.474 3.960 0.000 0.000 0.182 529 G C -0.906 174.128 174.900 0.223 0.000 1.166 529 G CA -0.404 44.800 45.100 0.174 0.000 0.771 529 G HN 0.560 nan 8.290 nan 0.000 0.701 530 Y N 1.355 121.717 120.300 0.103 0.000 2.788 530 Y HA 0.370 4.920 4.550 0.000 0.000 0.341 530 Y C 1.252 177.255 175.900 0.172 0.000 1.258 530 Y CA 0.570 58.765 58.100 0.158 0.000 1.503 530 Y CB 0.534 39.046 38.460 0.088 0.000 1.325 530 Y HN 0.472 nan 8.280 nan 0.000 0.614 531 T N -0.798 113.988 114.554 0.386 0.000 2.933 531 T HA 0.607 4.957 4.350 0.000 0.000 0.305 531 T C -0.708 174.198 174.700 0.343 0.000 1.092 531 T CA -0.866 61.408 62.100 0.289 0.000 1.008 531 T CB 1.929 70.890 68.868 0.156 0.000 1.102 531 T HN 0.654 nan 8.240 nan 0.000 0.469 532 T N 1.205 115.938 114.554 0.299 0.000 2.912 532 T HA 0.684 5.034 4.350 0.000 0.000 0.299 532 T C -1.180 173.637 174.700 0.197 0.000 1.052 532 T CA -0.339 61.932 62.100 0.285 0.000 0.996 532 T CB 1.800 70.866 68.868 0.331 0.000 1.070 532 T HN 0.853 nan 8.240 nan 0.000 0.465 533 T N 2.990 117.621 114.554 0.128 0.000 2.841 533 T HA 0.643 4.993 4.350 0.000 0.000 0.285 533 T C -1.073 173.644 174.700 0.028 0.000 0.991 533 T CA -0.589 61.535 62.100 0.040 0.000 0.966 533 T CB 1.487 70.385 68.868 0.050 0.000 0.962 533 T HN 0.527 nan 8.240 nan 0.000 0.438 534 S N 1.696 117.338 115.700 -0.098 0.000 2.594 534 S HA 0.609 5.079 4.470 0.000 0.000 0.296 534 S C -0.582 173.729 174.600 -0.481 0.000 1.124 534 S CA -0.575 57.529 58.200 -0.159 0.000 1.011 534 S CB 0.310 63.553 63.200 0.072 0.000 1.016 534 S HN 0.869 nan 8.310 nan 0.000 0.485 535 c N 5.405 123.295 118.600 -1.184 0.000 2.435 535 c HA 0.812 5.382 4.570 0.000 0.000 0.333 535 c C 0.147 173.901 174.090 -0.561 0.000 1.202 535 c CA -0.859 54.929 56.329 -0.900 0.000 1.830 535 c CB -0.092 41.807 42.510 -1.019 0.000 2.326 535 c HN 0.883 nan 8.230 nan 0.000 0.507 536 I N -0.009 120.361 120.570 -0.333 0.000 3.239 536 I HA 0.890 5.060 4.170 0.000 0.000 0.314 536 I C -0.323 175.732 176.117 -0.103 0.000 1.126 536 I CA -0.357 60.848 61.300 -0.159 0.000 0.973 536 I CB 2.314 40.262 38.000 -0.087 0.000 1.252 536 I HN 0.642 nan 8.210 nan 0.000 0.463 537 T N -1.622 112.929 114.554 -0.004 0.000 2.893 537 T HA 0.412 4.763 4.350 0.000 0.000 0.291 537 T C -1.014 173.794 174.700 0.180 0.000 1.028 537 T CA -0.501 61.662 62.100 0.104 0.000 0.995 537 T CB 1.357 70.300 68.868 0.125 0.000 1.051 537 T HN 0.848 nan 8.240 nan 0.000 0.470 538 H N 2.083 121.243 119.070 0.149 0.000 2.718 538 H HA 0.238 4.794 4.556 0.000 0.000 0.295 538 H C -0.765 174.678 175.328 0.192 0.000 1.051 538 H CA -1.039 55.055 56.048 0.077 0.000 1.260 538 H CB 0.190 30.034 29.762 0.136 0.000 1.403 538 H HN 0.895 nan 8.280 nan 0.000 0.488 539 Y N 4.872 125.192 120.300 0.034 0.000 3.078 539 Y HA -0.408 4.142 4.550 0.000 0.000 0.202 539 Y C 0.745 176.664 175.900 0.032 0.000 1.322 539 Y CA 0.709 58.788 58.100 -0.035 0.000 1.118 539 Y CB -1.703 36.639 38.460 -0.196 0.000 1.343 539 Y HN 0.879 nan 8.280 nan 0.000 0.499 540 N N -2.222 116.609 118.700 0.219 0.000 2.967 540 N HA -0.248 4.492 4.740 0.000 0.000 0.218 540 N C 0.331 176.006 175.510 0.274 0.000 0.870 540 N CA 1.604 54.793 53.050 0.231 0.000 1.030 540 N CB -0.527 38.059 38.487 0.165 0.000 1.027 540 N HN 0.676 nan 8.380 nan 0.000 0.603 541 K N 1.641 122.189 120.400 0.246 0.000 2.201 541 K HA 0.470 4.790 4.320 0.000 0.000 0.278 541 K C 0.344 177.066 176.600 0.203 0.000 1.027 541 K CA 0.000 56.414 56.287 0.211 0.000 0.909 541 K CB 0.766 33.358 32.500 0.153 0.000 1.062 541 K HN 0.142 nan 8.250 nan 0.000 0.465 542 G N 3.114 112.001 108.800 0.145 0.000 2.377 542 G HA2 0.414 4.374 3.960 0.000 0.000 0.299 542 G HA3 0.414 4.374 3.960 0.000 0.000 0.299 542 G C -1.485 173.197 174.900 -0.363 0.000 1.150 542 G CA -0.327 44.717 45.100 -0.094 0.000 0.847 542 G HN 0.524 nan 8.290 nan 0.000 0.501 543 Y N -0.685 119.493 120.300 -0.203 0.000 2.581 543 Y HA 0.596 5.146 4.550 0.000 0.000 0.345 543 Y C 0.084 175.721 175.900 -0.438 0.000 1.036 543 Y CA -0.898 57.037 58.100 -0.274 0.000 1.042 543 Y CB 2.192 40.437 38.460 -0.359 0.000 1.289 543 Y HN 0.619 nan 8.280 nan 0.000 0.471 544 c N 1.600 120.020 118.600 -0.299 0.000 2.712 544 c HA 0.662 5.232 4.570 0.000 0.000 0.308 544 c C -0.919 172.713 174.090 -0.763 0.000 1.201 544 c CA -1.213 54.799 56.329 -0.528 0.000 1.554 544 c CB 0.519 42.802 42.510 -0.378 0.000 2.117 544 c HN 0.646 nan 8.230 nan 0.000 0.480 545 F N 2.122 121.798 119.950 -0.456 0.000 2.458 545 F HA 0.545 5.072 4.527 0.000 0.000 0.330 545 F C 0.756 176.236 175.800 -0.533 0.000 1.082 545 F CA -0.285 57.499 58.000 -0.360 0.000 0.995 545 F CB 1.058 39.906 39.000 -0.253 0.000 1.170 545 F HN 0.486 nan 8.300 nan 0.000 0.478 546 H N 3.752 122.962 119.070 0.233 0.000 2.782 546 H HA 0.482 5.038 4.556 0.000 0.000 0.347 546 H C -0.980 174.496 175.328 0.248 0.000 1.038 546 H CA -0.543 55.625 56.048 0.201 0.000 1.255 546 H CB 2.359 32.236 29.762 0.192 0.000 1.623 546 H HN 0.446 nan 8.280 nan 0.000 0.525 547 I N 3.256 124.008 120.570 0.304 0.000 2.406 547 I HA 0.304 4.474 4.170 0.000 0.000 0.290 547 I C -0.385 175.908 176.117 0.293 0.000 0.999 547 I CA -0.916 60.532 61.300 0.247 0.000 1.124 547 I CB 2.035 40.126 38.000 0.150 0.000 1.289 547 I HN 0.149 nan 8.210 nan 0.000 0.441 548 V N 5.622 125.732 119.914 0.326 0.000 2.577 548 V HA 0.254 4.374 4.120 0.000 0.000 0.303 548 V C -0.174 176.060 176.094 0.233 0.000 1.042 548 V CA -0.867 61.605 62.300 0.287 0.000 0.872 548 V CB 1.964 33.964 31.823 0.295 0.000 0.998 548 V HN 0.657 nan 8.190 nan 0.000 0.423 549 E N 4.523 124.838 120.200 0.192 0.000 2.299 549 E HA 0.242 4.593 4.350 0.000 0.000 0.272 549 E C -0.822 175.837 176.600 0.098 0.000 1.043 549 E CA -0.246 56.230 56.400 0.127 0.000 0.895 549 E CB 0.869 30.650 29.700 0.135 0.000 1.011 549 E HN 0.321 nan 8.360 nan 0.000 0.432 550 I N 3.266 123.863 120.570 0.044 0.000 2.392 550 I HA 0.120 4.290 4.170 0.000 0.000 0.295 550 I C 0.393 176.440 176.117 -0.117 0.000 0.985 550 I CA -0.751 60.565 61.300 0.026 0.000 1.221 550 I CB 1.157 39.217 38.000 0.101 0.000 1.366 550 I HN 0.437 nan 8.210 nan 0.000 0.467 551 N N 5.489 124.173 118.700 -0.026 0.000 2.444 551 N HA 0.090 4.830 4.740 0.000 0.000 0.271 551 N C -0.611 174.944 175.510 0.075 0.000 1.069 551 N CA -0.195 52.837 53.050 -0.030 0.000 0.965 551 N CB 0.589 39.094 38.487 0.031 0.000 1.092 551 N HN 0.324 nan 8.380 nan 0.000 0.476 552 H N 4.080 123.179 119.070 0.049 0.000 2.638 552 H HA 0.165 4.721 4.556 0.000 0.000 0.242 552 H C 1.081 176.430 175.328 0.035 0.000 1.610 552 H CA -0.513 55.560 56.048 0.040 0.000 1.275 552 H CB 0.705 30.490 29.762 0.038 0.000 1.583 552 H HN 0.468 nan 8.280 nan 0.000 0.556 553 K N 1.256 121.742 120.400 0.144 0.000 2.071 553 K HA -0.244 4.077 4.320 0.000 0.000 0.217 553 K C 1.927 178.573 176.600 0.075 0.000 1.054 553 K CA 1.836 58.175 56.287 0.086 0.000 0.937 553 K CB -0.208 32.330 32.500 0.064 0.000 0.719 553 K HN 0.563 nan 8.250 nan 0.000 0.454 554 S N 1.487 117.228 115.700 0.069 0.000 2.401 554 S HA -0.233 4.237 4.470 0.000 0.000 0.236 554 S C 2.159 176.791 174.600 0.053 0.000 1.058 554 S CA 2.093 60.321 58.200 0.047 0.000 1.151 554 S CB -0.987 62.230 63.200 0.027 0.000 1.049 554 S HN 0.336 nan 8.310 nan 0.000 0.432 555 L N 1.588 122.856 121.223 0.075 0.000 2.418 555 L HA 0.236 4.576 4.340 0.000 0.000 0.218 555 L C 1.333 178.248 176.870 0.076 0.000 1.125 555 L CA 0.670 55.554 54.840 0.074 0.000 0.835 555 L CB -0.975 41.140 42.059 0.093 0.000 0.953 555 L HN 0.607 nan 8.230 nan 0.000 0.454 556 N N 0.268 119.019 118.700 0.084 0.000 2.815 556 N HA -0.153 4.587 4.740 0.000 0.000 0.249 556 N C -0.085 175.462 175.510 0.063 0.000 1.114 556 N CA 0.373 53.464 53.050 0.067 0.000 0.717 556 N CB -0.498 38.020 38.487 0.052 0.000 1.074 556 N HN 0.519 nan 8.380 nan 0.000 0.555 557 T N -2.113 112.485 114.554 0.074 0.000 2.907 557 T HA 0.754 5.104 4.350 0.000 0.000 0.290 557 T C -0.083 174.599 174.700 -0.031 0.000 1.066 557 T CA -0.925 61.200 62.100 0.042 0.000 1.012 557 T CB 2.270 71.177 68.868 0.065 0.000 1.184 557 T HN 0.127 nan 8.240 nan 0.000 0.522 558 L N 0.874 122.066 121.223 -0.052 0.000 2.334 558 L HA 0.789 5.129 4.340 0.000 0.000 0.273 558 L C -0.625 176.158 176.870 -0.145 0.000 1.013 558 L CA -0.900 53.871 54.840 -0.114 0.000 0.816 558 L CB 1.986 44.029 42.059 -0.026 0.000 1.278 558 L HN 0.754 nan 8.230 nan 0.000 0.431 559 Q N 3.042 122.716 119.800 -0.209 0.000 2.296 559 Q HA 0.453 4.793 4.340 0.000 0.000 0.254 559 Q C -2.780 173.201 176.000 -0.031 0.000 0.936 559 Q CA -1.515 54.220 55.803 -0.113 0.000 0.834 559 Q CB 2.642 31.299 28.738 -0.135 0.000 1.340 559 Q HN 0.111 nan 8.270 nan 0.000 0.428 560 P HA 0.240 nan 4.420 nan 0.000 0.271 560 P C -1.110 176.213 177.300 0.037 0.000 1.218 560 P CA -0.061 63.088 63.100 0.082 0.000 0.780 560 P CB 0.605 32.398 31.700 0.155 0.000 0.901 561 M N 2.846 122.467 119.600 0.036 0.000 2.446 561 M HA 0.441 4.921 4.480 0.000 0.000 0.294 561 M C -1.720 174.429 176.300 -0.252 0.000 1.158 561 M CA -1.242 53.981 55.300 -0.129 0.000 0.899 561 M CB 1.683 34.206 32.600 -0.128 0.000 1.687 561 M HN 0.081 nan 8.290 nan 0.000 0.455 562 L N 4.041 125.017 121.223 -0.412 0.000 2.312 562 L HA 0.690 5.030 4.340 0.000 0.000 0.281 562 L C -1.984 174.528 176.870 -0.597 0.000 1.070 562 L CA 0.390 55.032 54.840 -0.330 0.000 0.805 562 L CB 0.814 42.728 42.059 -0.241 0.000 1.174 562 L HN 0.630 nan 8.230 nan 0.000 0.434 563 F N 3.272 123.301 119.950 0.133 0.000 2.565 563 F HA 0.630 5.157 4.527 0.000 0.000 0.313 563 F C -0.343 175.610 175.800 0.255 0.000 1.091 563 F CA -0.791 57.308 58.000 0.165 0.000 0.915 563 F CB 1.953 41.037 39.000 0.139 0.000 1.208 563 F HN 0.252 nan 8.300 nan 0.000 0.453 564 K N 0.969 121.584 120.400 0.357 0.000 2.378 564 K HA 0.746 5.066 4.320 0.000 0.000 0.252 564 K C -0.797 175.947 176.600 0.239 0.000 0.931 564 K CA -0.759 55.661 56.287 0.222 0.000 0.794 564 K CB 2.307 34.869 32.500 0.104 0.000 1.181 564 K HN 0.698 nan 8.250 nan 0.000 0.425 565 T N -1.808 112.884 114.554 0.230 0.000 2.896 565 T HA 0.447 4.797 4.350 0.000 0.000 0.297 565 T C -0.965 173.821 174.700 0.145 0.000 1.108 565 T CA -0.993 61.248 62.100 0.235 0.000 1.004 565 T CB 1.648 70.737 68.868 0.368 0.000 1.159 565 T HN 0.478 nan 8.240 nan 0.000 0.499 566 E N 1.073 121.295 120.200 0.037 0.000 2.156 566 E HA 0.443 4.793 4.350 0.000 0.000 0.279 566 E C -0.447 176.010 176.600 -0.238 0.000 0.965 566 E CA -0.861 55.416 56.400 -0.205 0.000 0.789 566 E CB 0.776 30.356 29.700 -0.200 0.000 1.098 566 E HN 0.569 nan 8.360 nan 0.000 0.397 567 I N 7.051 127.455 120.570 -0.276 0.000 2.587 567 I HA 0.054 4.224 4.170 0.000 0.000 0.284 567 I C -1.610 174.320 176.117 -0.312 0.000 1.134 567 I CA -1.426 59.660 61.300 -0.358 0.000 1.410 567 I CB 0.478 38.474 38.000 -0.007 0.000 1.392 567 I HN 0.400 nan 8.210 nan 0.000 0.545 568 P HA 0.047 nan 4.420 nan 0.000 0.226 568 P C -0.496 176.752 177.300 -0.087 0.000 1.783 568 P CA -0.089 62.863 63.100 -0.247 0.000 0.980 568 P CB -0.053 31.485 31.700 -0.270 0.000 1.967 569 K N 1.619 121.999 120.400 -0.032 0.000 2.130 569 K HA 0.447 4.767 4.320 0.000 0.000 0.268 569 K C -0.240 176.278 176.600 -0.137 0.000 0.983 569 K CA -0.383 55.881 56.287 -0.039 0.000 0.893 569 K CB 0.952 33.397 32.500 -0.092 0.000 1.066 569 K HN 0.252 nan 8.250 nan 0.000 0.450 570 S N 1.542 117.134 115.700 -0.180 0.000 2.627 570 S HA 0.429 4.900 4.470 0.000 0.000 0.283 570 S C -0.826 173.635 174.600 -0.231 0.000 1.127 570 S CA -0.926 57.172 58.200 -0.170 0.000 0.863 570 S CB 1.370 64.507 63.200 -0.106 0.000 1.121 570 S HN 0.625 nan 8.310 nan 0.000 0.479 571 c N 3.326 121.813 118.600 -0.189 0.000 2.842 571 c HA 0.612 5.182 4.570 0.000 0.000 0.311 571 c C 1.129 175.137 174.090 -0.137 0.000 1.312 571 c CA -0.622 55.589 56.329 -0.196 0.000 1.651 571 c CB -1.886 40.510 42.510 -0.191 0.000 1.826 571 c HN 0.920 nan 8.230 nan 0.000 0.491 572 S N 0.000 115.628 115.700 -0.121 0.000 2.498 572 S HA 0.000 4.470 4.470 0.000 0.000 0.327 572 S CA 0.000 58.151 58.200 -0.083 0.000 1.107 572 S CB 0.000 63.162 63.200 -0.063 0.000 0.593 572 S HN 0.000 nan 8.310 nan 0.000 0.517