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 3cxm_1_A DATA FIRST_RESID 130 DATA SEQUENCE VSSSRWLAGL ITNPEWRDFL APITADSWRK GAFIRIERFL DEEKEKGRVI DATA SEQUENCE LPPAADIFNA FNSCPFRGLK VVLLGQDPYH DLHQAHGLCF SVLPEVPLPP DATA SEQUENCE SLRNIYKELT TDIAGFQAPK HGYLQSWSEQ GMLMLNATLT VEAHKANSHS DATA SEQUENCE KTSGWAAFTD AVIQHLSQHH PNRLVFLLWG GYAQQKKRLI DANRHVVLEN DATA SEQUENCE VHPSPLSANR GWFGCRCFSA CNEALQRMSH LPMHWQLPLN AP 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 130 V HA 0.000 nan 4.120 nan 0.000 0.244 130 V C 0.000 176.069 176.094 -0.042 0.000 1.182 130 V CA 0.000 62.267 62.300 -0.055 0.000 1.235 130 V CB 0.000 31.802 31.823 -0.035 0.000 1.184 131 S N 2.399 118.063 115.700 -0.061 0.000 2.558 131 S HA 0.085 4.556 4.470 0.000 0.000 0.293 131 S C 1.270 175.876 174.600 0.011 0.000 1.292 131 S CA 0.626 58.810 58.200 -0.027 0.000 1.063 131 S CB 0.898 64.069 63.200 -0.049 0.000 0.831 131 S HN 0.901 nan 8.310 nan 0.000 0.499 132 S N 2.921 118.637 115.700 0.028 0.000 2.603 132 S HA 0.054 4.524 4.470 0.000 0.000 0.220 132 S C 0.745 175.362 174.600 0.030 0.000 0.967 132 S CA 0.199 58.415 58.200 0.027 0.000 0.920 132 S CB -0.329 62.884 63.200 0.022 0.000 0.773 132 S HN 0.914 nan 8.310 nan 0.000 0.529 133 S N 1.511 117.237 115.700 0.043 0.000 2.563 133 S HA 0.177 4.647 4.470 0.000 0.000 0.284 133 S C 1.046 175.640 174.600 -0.009 0.000 1.331 133 S CA -0.479 57.713 58.200 -0.012 0.000 1.047 133 S CB 0.635 63.829 63.200 -0.009 0.000 0.859 133 S HN 0.336 nan 8.310 nan 0.000 0.514 134 R N 1.124 121.600 120.500 -0.040 0.000 2.090 134 R HA 0.009 4.349 4.340 0.000 0.000 0.228 134 R C 1.334 177.763 176.300 0.215 0.000 1.110 134 R CA 1.818 57.980 56.100 0.103 0.000 0.973 134 R CB -0.111 30.321 30.300 0.221 0.000 0.869 134 R HN 1.006 nan 8.270 nan 0.000 0.440 135 W N -2.856 118.495 121.300 0.084 0.000 2.607 135 W HA 0.145 4.805 4.660 0.000 0.000 0.189 135 W C 1.008 177.623 176.519 0.160 0.000 0.941 135 W CA -0.418 56.989 57.345 0.103 0.000 1.190 135 W CB -0.726 28.782 29.460 0.080 0.000 0.738 135 W HN -0.120 nan 8.180 nan 0.000 0.734 136 L N 3.427 124.398 121.223 -0.420 0.000 2.017 136 L HA 0.106 4.446 4.340 0.000 0.000 0.208 136 L C 2.662 179.719 176.870 0.311 0.000 1.073 136 L CA 3.586 58.283 54.840 -0.238 0.000 0.745 136 L CB -1.029 40.575 42.059 -0.758 0.000 0.894 136 L HN 0.034 nan 8.230 nan 0.000 0.432 137 A N -0.825 122.186 122.820 0.317 0.000 1.972 137 A HA -0.041 4.279 4.320 0.000 0.000 0.219 137 A C 2.235 179.886 177.584 0.112 0.000 1.169 137 A CA 1.295 53.460 52.037 0.212 0.000 0.635 137 A CB -1.413 17.624 19.000 0.062 0.000 0.810 137 A HN 0.523 nan 8.150 nan 0.000 0.446 138 G N -0.562 108.340 108.800 0.170 0.000 2.598 138 G HA2 0.014 3.974 3.960 0.000 0.000 0.215 138 G HA3 0.014 3.974 3.960 0.000 0.000 0.215 138 G C 1.271 176.298 174.900 0.212 0.000 1.131 138 G CA 0.596 45.794 45.100 0.163 0.000 0.785 138 G HN 0.461 nan 8.290 nan 0.000 0.539 139 L N 0.161 121.574 121.223 0.317 0.000 2.478 139 L HA 0.237 4.577 4.340 0.000 0.000 0.223 139 L C 0.661 177.722 176.870 0.318 0.000 1.140 139 L CA 0.081 55.159 54.840 0.396 0.000 0.842 139 L CB -0.045 42.391 42.059 0.629 0.000 0.953 139 L HN 0.131 nan 8.230 nan 0.000 0.452 140 I N 0.452 121.082 120.570 0.100 0.000 2.294 140 I HA -0.015 4.155 4.170 0.000 0.000 0.295 140 I C 1.441 177.597 176.117 0.066 0.000 1.098 140 I CA -0.019 61.268 61.300 -0.021 0.000 1.277 140 I CB 1.039 38.873 38.000 -0.277 0.000 1.434 140 I HN 0.099 nan 8.210 nan 0.000 0.498 141 T N 0.797 115.428 114.554 0.128 0.000 3.037 141 T HA 0.013 4.363 4.350 0.000 0.000 0.252 141 T C 0.924 175.700 174.700 0.127 0.000 1.073 141 T CA -0.145 62.029 62.100 0.123 0.000 1.091 141 T CB -0.013 68.937 68.868 0.137 0.000 0.935 141 T HN 0.506 nan 8.240 nan 0.000 0.488 142 N N 2.692 121.496 118.700 0.174 0.000 2.470 142 N HA 0.112 4.852 4.740 0.000 0.000 0.268 142 N C -2.025 173.572 175.510 0.144 0.000 1.136 142 N CA -1.506 51.665 53.050 0.202 0.000 0.961 142 N CB 1.835 40.536 38.487 0.356 0.000 1.067 142 N HN -0.018 nan 8.380 nan 0.000 0.468 143 P HA -0.075 nan 4.420 nan 0.000 0.217 143 P C 0.572 177.839 177.300 -0.055 0.000 1.150 143 P CA 1.278 64.386 63.100 0.014 0.000 0.832 143 P CB 0.340 32.043 31.700 0.006 0.000 0.787 144 E N -1.522 118.620 120.200 -0.095 0.000 2.077 144 E HA -0.182 4.168 4.350 0.000 0.000 0.193 144 E C 1.919 178.197 176.600 -0.537 0.000 0.989 144 E CA 1.073 57.260 56.400 -0.355 0.000 0.800 144 E CB -0.515 28.962 29.700 -0.372 0.000 0.746 144 E HN 0.345 nan 8.360 nan 0.000 0.452 145 W N 1.155 122.321 121.300 -0.224 0.000 2.388 145 W HA -0.056 4.603 4.660 -0.001 0.000 0.294 145 W C 2.568 178.972 176.519 -0.191 0.000 1.212 145 W CA 0.539 57.783 57.345 -0.169 0.000 1.271 145 W CB -0.015 29.442 29.460 -0.005 0.000 1.126 145 W HN -0.007 nan 8.180 nan 0.000 0.535 146 R N 0.895 121.427 120.500 0.052 0.000 2.096 146 R HA -0.229 4.111 4.340 0.000 0.000 0.240 146 R C 1.928 178.166 176.300 -0.104 0.000 1.139 146 R CA 2.271 58.338 56.100 -0.055 0.000 0.952 146 R CB -0.958 29.316 30.300 -0.043 0.000 0.854 146 R HN 0.162 nan 8.270 nan 0.000 0.436 147 D N -0.545 119.781 120.400 -0.123 0.000 2.117 147 D HA -0.192 4.448 4.640 0.000 0.000 0.198 147 D C 1.790 177.999 176.300 -0.151 0.000 0.982 147 D CA 1.041 54.954 54.000 -0.145 0.000 0.828 147 D CB -0.131 40.574 40.800 -0.159 0.000 0.967 147 D HN 0.229 nan 8.370 nan 0.000 0.464 148 F N 1.350 121.099 119.950 -0.336 0.000 2.134 148 F HA -0.074 4.453 4.527 -0.000 0.000 0.299 148 F C 2.113 177.862 175.800 -0.085 0.000 1.097 148 F CA 1.118 58.969 58.000 -0.249 0.000 1.264 148 F CB -0.243 38.485 39.000 -0.453 0.000 1.001 148 F HN -0.079 nan 8.300 nan 0.000 0.479 149 L N -0.251 120.916 121.223 -0.094 0.000 2.554 149 L HA 0.078 4.418 4.340 0.000 0.000 0.226 149 L C 2.521 179.165 176.870 -0.377 0.000 1.137 149 L CA 0.469 55.151 54.840 -0.263 0.000 0.863 149 L CB -0.960 40.963 42.059 -0.226 0.000 0.985 149 L HN 0.210 nan 8.230 nan 0.000 0.451 150 A N 1.358 123.991 122.820 -0.312 0.000 1.948 150 A HA -0.128 4.192 4.320 0.000 0.000 0.220 150 A C -0.241 177.158 177.584 -0.308 0.000 1.177 150 A CA 1.586 53.454 52.037 -0.283 0.000 0.636 150 A CB -1.552 17.323 19.000 -0.207 0.000 0.815 150 A HN 0.291 nan 8.150 nan 0.000 0.449 151 P HA 0.019 nan 4.420 nan 0.000 0.233 151 P C 1.023 178.095 177.300 -0.380 0.000 1.167 151 P CA 0.669 63.564 63.100 -0.342 0.000 0.770 151 P CB -0.028 31.423 31.700 -0.416 0.000 0.837 152 I N -1.018 119.221 120.570 -0.552 0.000 2.810 152 I HA -0.051 4.119 4.170 0.000 0.000 0.262 152 I C 2.048 177.873 176.117 -0.488 0.000 1.131 152 I CA 1.437 62.270 61.300 -0.777 0.000 1.453 152 I CB -1.131 36.275 38.000 -0.989 0.000 1.161 152 I HN -0.041 nan 8.210 nan 0.000 0.444 153 T N -0.177 114.075 114.554 -0.504 0.000 3.085 153 T HA 0.240 4.590 4.350 0.000 0.000 0.263 153 T C 1.064 175.532 174.700 -0.387 0.000 1.127 153 T CA 0.122 61.743 62.100 -0.799 0.000 1.103 153 T CB -0.433 67.853 68.868 -0.970 0.000 0.921 153 T HN 0.215 nan 8.240 nan 0.000 0.510 154 A N 2.202 124.909 122.820 -0.190 0.000 2.561 154 A HA 0.154 4.474 4.320 0.000 0.000 0.234 154 A C 1.291 178.912 177.584 0.061 0.000 1.055 154 A CA -0.049 51.953 52.037 -0.058 0.000 0.756 154 A CB 0.020 18.996 19.000 -0.041 0.000 0.986 154 A HN 0.343 nan 8.150 nan 0.000 0.505 155 D N 1.465 121.893 120.400 0.047 0.000 2.149 155 D HA -0.107 4.533 4.640 0.000 0.000 0.198 155 D C 1.972 178.320 176.300 0.078 0.000 0.990 155 D CA 2.050 56.094 54.000 0.073 0.000 0.839 155 D CB -0.231 40.591 40.800 0.037 0.000 0.948 155 D HN 0.507 nan 8.370 nan 0.000 0.460 156 S N -0.076 115.664 115.700 0.065 0.000 2.447 156 S HA -0.116 4.354 4.470 0.000 0.000 0.233 156 S C 0.416 175.064 174.600 0.081 0.000 1.006 156 S CA -0.128 58.103 58.200 0.051 0.000 0.957 156 S CB -0.182 63.039 63.200 0.034 0.000 0.773 156 S HN 0.413 nan 8.310 nan 0.000 0.507 157 W N 3.867 125.151 121.300 -0.026 0.000 2.469 157 W HA 0.194 4.854 4.660 -0.000 0.000 0.321 157 W C 0.253 176.782 176.519 0.016 0.000 1.415 157 W CA -0.410 56.927 57.345 -0.014 0.000 1.308 157 W CB 0.002 29.451 29.460 -0.018 0.000 1.368 157 W HN 0.040 nan 8.180 nan 0.000 0.546 158 R N 4.761 124.843 120.500 -0.696 0.000 3.502 158 R HA -0.290 4.050 4.340 0.000 0.000 0.266 158 R C 0.269 176.356 176.300 -0.355 0.000 1.077 158 R CA 1.352 57.051 56.100 -0.669 0.000 0.718 158 R CB -2.224 27.398 30.300 -1.130 0.000 1.120 158 R HN 0.849 nan 8.270 nan 0.000 0.457 159 K N -0.897 119.386 120.400 -0.195 0.000 3.689 159 K HA -0.265 4.055 4.320 0.000 0.000 0.276 159 K C 0.765 177.309 176.600 -0.093 0.000 0.932 159 K CA 1.004 57.225 56.287 -0.108 0.000 0.758 159 K CB -1.669 30.771 32.500 -0.101 0.000 1.500 159 K HN 0.856 nan 8.250 nan 0.000 0.448 160 G N -1.296 107.476 108.800 -0.048 0.000 2.141 160 G HA2 -0.288 3.672 3.960 0.000 0.000 0.231 160 G HA3 -0.288 3.672 3.960 0.000 0.000 0.231 160 G C 0.913 175.809 174.900 -0.006 0.000 0.984 160 G CA 0.482 45.579 45.100 -0.005 0.000 0.660 160 G HN 0.746 nan 8.290 nan 0.000 0.525 161 A N -0.376 122.412 122.820 -0.054 0.000 1.933 161 A HA 0.250 4.570 4.320 0.000 0.000 0.218 161 A C 1.929 179.587 177.584 0.123 0.000 1.175 161 A CA 2.142 54.135 52.037 -0.074 0.000 0.628 161 A CB -0.390 18.366 19.000 -0.407 0.000 0.814 161 A HN 1.144 nan 8.150 nan 0.000 0.444 162 F N 0.349 120.405 119.950 0.177 0.000 2.146 162 F HA -0.090 4.437 4.527 -0.000 0.000 0.298 162 F C 1.943 177.680 175.800 -0.104 0.000 1.096 162 F CA 1.498 59.546 58.000 0.080 0.000 1.275 162 F CB -0.167 38.916 39.000 0.138 0.000 1.008 162 F HN 0.163 nan 8.300 nan 0.000 0.480 163 I N 0.005 120.591 120.570 0.027 0.000 2.264 163 I HA -0.314 3.856 4.170 0.000 0.000 0.248 163 I C 2.417 178.429 176.117 -0.175 0.000 1.111 163 I CA 1.303 62.543 61.300 -0.099 0.000 1.382 163 I CB -0.391 37.598 38.000 -0.018 0.000 1.060 163 I HN 0.070 nan 8.210 nan 0.000 0.418 164 R N 0.371 120.786 120.500 -0.142 0.000 2.115 164 R HA -0.067 4.273 4.340 0.000 0.000 0.230 164 R C 2.279 178.448 176.300 -0.218 0.000 1.111 164 R CA 1.140 57.153 56.100 -0.145 0.000 0.976 164 R CB -0.231 29.998 30.300 -0.118 0.000 0.870 164 R HN 0.365 nan 8.270 nan 0.000 0.445 165 I N 0.640 120.980 120.570 -0.383 0.000 2.226 165 I HA -0.281 3.889 4.170 0.000 0.000 0.245 165 I C 2.587 178.415 176.117 -0.483 0.000 1.100 165 I CA 1.372 62.319 61.300 -0.587 0.000 1.374 165 I CB -0.319 37.045 38.000 -1.060 0.000 1.057 165 I HN 0.254 nan 8.210 nan 0.000 0.413 166 E N 1.403 121.260 120.200 -0.572 0.000 2.058 166 E HA -0.298 4.052 4.350 0.000 0.000 0.194 166 E C 2.417 178.908 176.600 -0.181 0.000 0.997 166 E CA 1.350 57.435 56.400 -0.525 0.000 0.801 166 E CB -0.065 29.217 29.700 -0.698 0.000 0.746 166 E HN 0.296 nan 8.360 nan 0.000 0.450 167 R N -0.483 119.936 120.500 -0.134 0.000 2.096 167 R HA -0.167 4.174 4.340 0.000 0.000 0.235 167 R C 2.317 178.616 176.300 -0.001 0.000 1.127 167 R CA 1.431 57.511 56.100 -0.034 0.000 0.968 167 R CB -0.449 29.829 30.300 -0.036 0.000 0.861 167 R HN 0.270 nan 8.270 nan 0.000 0.440 168 F N 1.351 121.207 119.950 -0.156 0.000 2.095 168 F HA -0.211 4.316 4.527 0.000 0.000 0.298 168 F C 1.754 177.494 175.800 -0.100 0.000 1.104 168 F CA 1.657 59.563 58.000 -0.156 0.000 1.232 168 F CB -0.298 38.551 39.000 -0.251 0.000 0.987 168 F HN -0.013 nan 8.300 nan 0.000 0.475 169 L N -0.137 121.045 121.223 -0.068 0.000 2.093 169 L HA -0.203 4.137 4.340 0.000 0.000 0.208 169 L C 2.168 179.049 176.870 0.019 0.000 1.085 169 L CA 1.294 56.125 54.840 -0.014 0.000 0.755 169 L CB -0.881 41.359 42.059 0.302 0.000 0.904 169 L HN 0.098 nan 8.230 nan 0.000 0.435 170 D N 0.226 120.694 120.400 0.113 0.000 2.117 170 D HA -0.184 4.456 4.640 0.000 0.000 0.197 170 D C 2.115 178.395 176.300 -0.034 0.000 0.987 170 D CA 1.217 55.275 54.000 0.095 0.000 0.829 170 D CB -0.038 40.846 40.800 0.141 0.000 0.961 170 D HN 0.389 nan 8.370 nan 0.000 0.460 171 E N 0.438 120.575 120.200 -0.105 0.000 2.106 171 E HA -0.129 4.221 4.350 0.000 0.000 0.192 171 E C 2.007 178.494 176.600 -0.188 0.000 0.984 171 E CA 0.564 56.883 56.400 -0.135 0.000 0.806 171 E CB 0.122 29.737 29.700 -0.141 0.000 0.750 171 E HN 0.254 nan 8.360 nan 0.000 0.458 172 E N 0.990 121.001 120.200 -0.315 0.000 2.058 172 E HA -0.221 4.129 4.350 0.000 0.000 0.194 172 E C 1.982 178.508 176.600 -0.123 0.000 0.997 172 E CA 0.969 57.210 56.400 -0.265 0.000 0.801 172 E CB -0.149 29.356 29.700 -0.324 0.000 0.746 172 E HN 0.175 nan 8.360 nan 0.000 0.450 173 K N 1.109 121.452 120.400 -0.096 0.000 2.057 173 K HA -0.181 4.139 4.320 0.000 0.000 0.207 173 K C 1.912 178.479 176.600 -0.056 0.000 1.049 173 K CA 1.439 57.688 56.287 -0.063 0.000 0.931 173 K CB 0.013 32.475 32.500 -0.064 0.000 0.714 173 K HN 0.052 nan 8.250 nan 0.000 0.440 174 E N 0.463 120.629 120.200 -0.057 0.000 2.160 174 E HA -0.176 4.174 4.350 0.000 0.000 0.195 174 E C 1.592 178.168 176.600 -0.041 0.000 0.991 174 E CA 1.301 57.675 56.400 -0.043 0.000 0.810 174 E CB 0.083 29.759 29.700 -0.039 0.000 0.742 174 E HN 0.276 nan 8.360 nan 0.000 0.466 175 K N -0.589 119.780 120.400 -0.051 0.000 2.525 175 K HA 0.023 4.343 4.320 0.000 0.000 0.192 175 K C 0.952 177.534 176.600 -0.031 0.000 1.029 175 K CA 0.467 56.730 56.287 -0.040 0.000 1.029 175 K CB 0.382 32.853 32.500 -0.048 0.000 0.814 175 K HN 0.263 nan 8.250 nan 0.000 0.503 176 G N 1.972 110.753 108.800 -0.033 0.000 2.143 176 G HA2 -0.298 3.662 3.960 0.000 0.000 0.249 176 G HA3 -0.298 3.662 3.960 0.000 0.000 0.249 176 G C -0.262 174.623 174.900 -0.024 0.000 0.981 176 G CA -0.157 44.928 45.100 -0.025 0.000 0.665 176 G HN 0.268 nan 8.290 nan 0.000 0.528 177 R N -0.449 120.034 120.500 -0.028 0.000 2.410 177 R HA 0.499 4.839 4.340 0.000 0.000 0.288 177 R C 0.114 176.399 176.300 -0.025 0.000 1.051 177 R CA -0.572 55.516 56.100 -0.020 0.000 1.021 177 R CB 1.637 31.932 30.300 -0.010 0.000 1.032 177 R HN 0.062 nan 8.270 nan 0.000 0.481 178 V N 5.391 125.284 119.914 -0.036 0.000 2.385 178 V HA 0.192 4.312 4.120 0.000 0.000 0.269 178 V C 0.094 176.154 176.094 -0.056 0.000 1.043 178 V CA -0.327 61.942 62.300 -0.052 0.000 0.906 178 V CB 0.912 32.688 31.823 -0.079 0.000 0.995 178 V HN 0.511 nan 8.190 nan 0.000 0.467 179 I N 6.677 127.233 120.570 -0.023 0.000 2.377 179 I HA 0.532 4.702 4.170 0.000 0.000 0.293 179 I C -0.060 176.051 176.117 -0.009 0.000 0.987 179 I CA -0.557 60.746 61.300 0.004 0.000 1.185 179 I CB 1.525 39.596 38.000 0.118 0.000 1.341 179 I HN 0.396 nan 8.210 nan 0.000 0.455 180 L N 6.971 128.172 121.223 -0.036 0.000 2.319 180 L HA 0.602 4.942 4.340 0.000 0.000 0.267 180 L C -2.235 174.618 176.870 -0.029 0.000 1.011 180 L CA -1.806 53.015 54.840 -0.032 0.000 0.818 180 L CB 2.276 44.300 42.059 -0.059 0.000 1.316 180 L HN 0.345 nan 8.230 nan 0.000 0.432 181 P HA 0.191 nan 4.420 nan 0.000 0.274 181 P C -2.688 174.624 177.300 0.021 0.000 1.260 181 P CA -1.295 61.807 63.100 0.003 0.000 0.793 181 P CB -0.587 31.113 31.700 0.001 0.000 1.048 182 P HA -0.030 nan 4.420 nan 0.000 0.267 182 P C 0.874 178.203 177.300 0.048 0.000 1.201 182 P CA 0.299 63.423 63.100 0.039 0.000 0.775 182 P CB -0.091 31.641 31.700 0.053 0.000 0.854 183 A N 3.063 125.908 122.820 0.041 0.000 1.903 183 A HA -0.260 4.060 4.320 0.000 0.000 0.219 183 A C 2.133 179.796 177.584 0.131 0.000 1.191 183 A CA 2.522 54.614 52.037 0.092 0.000 0.638 183 A CB -1.803 17.204 19.000 0.012 0.000 0.823 183 A HN 0.580 nan 8.150 nan 0.000 0.451 184 A N -1.094 121.789 122.820 0.105 0.000 2.125 184 A HA -0.097 4.223 4.320 0.000 0.000 0.219 184 A C 1.378 179.042 177.584 0.134 0.000 1.156 184 A CA 1.755 53.870 52.037 0.130 0.000 0.671 184 A CB -0.324 18.736 19.000 0.101 0.000 0.794 184 A HN 0.476 nan 8.150 nan 0.000 0.459 185 D N -1.065 119.395 120.400 0.101 0.000 2.407 185 D HA 0.177 4.817 4.640 0.000 0.000 0.208 185 D C 1.561 177.861 176.300 0.000 0.000 1.083 185 D CA -0.078 53.969 54.000 0.078 0.000 0.844 185 D CB -0.023 40.830 40.800 0.088 0.000 0.967 185 D HN 0.457 nan 8.370 nan 0.000 0.506 186 I N -0.005 120.541 120.570 -0.039 0.000 2.194 186 I HA -0.266 3.904 4.170 0.000 0.000 0.246 186 I C 0.925 176.815 176.117 -0.379 0.000 1.093 186 I CA 1.231 62.368 61.300 -0.272 0.000 1.355 186 I CB -0.058 37.722 38.000 -0.367 0.000 1.046 186 I HN -0.086 nan 8.210 nan 0.000 0.413 187 F N 0.337 120.334 119.950 0.077 0.000 2.750 187 F HA 0.151 4.678 4.527 -0.000 0.000 0.297 187 F C 1.501 177.325 175.800 0.041 0.000 1.138 187 F CA -0.352 57.723 58.000 0.126 0.000 1.346 187 F CB -0.870 38.304 39.000 0.290 0.000 0.965 187 F HN -0.001 nan 8.300 nan 0.000 0.514 188 N N 1.558 120.309 118.700 0.085 0.000 2.289 188 N HA -0.186 4.554 4.740 0.000 0.000 0.184 188 N C 2.043 177.509 175.510 -0.072 0.000 1.016 188 N CA 1.401 54.474 53.050 0.038 0.000 0.872 188 N CB 0.060 38.554 38.487 0.010 0.000 0.973 188 N HN 0.257 nan 8.380 nan 0.000 0.433 189 A N -0.627 122.054 122.820 -0.231 0.000 1.940 189 A HA -0.070 4.250 4.320 0.000 0.000 0.219 189 A C 1.807 179.098 177.584 -0.488 0.000 1.176 189 A CA 1.190 52.989 52.037 -0.397 0.000 0.631 189 A CB -0.856 17.787 19.000 -0.595 0.000 0.814 189 A HN 0.340 nan 8.150 nan 0.000 0.446 190 F N 0.367 120.126 119.950 -0.319 0.000 2.149 190 F HA -0.036 4.491 4.527 0.000 0.000 0.294 190 F C 2.242 177.822 175.800 -0.366 0.000 1.095 190 F CA 1.132 58.664 58.000 -0.779 0.000 1.276 190 F CB -0.704 37.816 39.000 -0.801 0.000 1.023 190 F HN 0.158 nan 8.300 nan 0.000 0.480 191 N N 0.096 118.858 118.700 0.104 0.000 2.223 191 N HA -0.137 4.603 4.740 0.000 0.000 0.185 191 N C 1.854 177.473 175.510 0.182 0.000 1.016 191 N CA 1.645 54.805 53.050 0.183 0.000 0.863 191 N CB -0.620 37.981 38.487 0.190 0.000 0.983 191 N HN 0.335 nan 8.380 nan 0.000 0.429 192 S N -1.478 114.296 115.700 0.124 0.000 2.548 192 S HA 0.105 4.575 4.470 0.000 0.000 0.215 192 S C 0.921 175.612 174.600 0.151 0.000 0.976 192 S CA -0.569 57.707 58.200 0.126 0.000 0.908 192 S CB -0.255 62.997 63.200 0.087 0.000 0.781 192 S HN 0.276 nan 8.310 nan 0.000 0.519 193 C N 4.979 124.397 119.300 0.198 0.000 2.273 193 C HA 0.613 5.073 4.460 0.000 0.000 0.328 193 C C -2.623 172.640 174.990 0.456 0.000 1.275 193 C CA -2.614 56.560 59.018 0.260 0.000 1.704 193 C CB 0.696 28.563 27.740 0.213 0.000 2.326 193 C HN 0.332 nan 8.230 nan 0.000 0.517 194 P HA 0.044 nan 4.420 nan 0.000 0.271 194 P C 0.404 177.844 177.300 0.233 0.000 1.233 194 P CA 0.339 63.592 63.100 0.255 0.000 0.764 194 P CB 0.314 32.093 31.700 0.131 0.000 0.825 195 F N 5.869 125.816 119.950 -0.005 0.000 2.095 195 F HA -0.161 4.366 4.527 0.001 0.000 0.298 195 F C 2.132 177.843 175.800 -0.149 0.000 1.104 195 F CA 1.566 59.331 58.000 -0.393 0.000 1.232 195 F CB -0.128 38.338 39.000 -0.890 0.000 0.987 195 F HN 0.178 nan 8.300 nan 0.000 0.475 196 R N -0.463 119.945 120.500 -0.154 0.000 2.236 196 R HA 0.036 4.376 4.340 0.000 0.000 0.208 196 R C 2.156 178.397 176.300 -0.099 0.000 1.036 196 R CA 0.760 56.749 56.100 -0.184 0.000 1.001 196 R CB -0.669 29.613 30.300 -0.029 0.000 0.896 196 R HN 0.435 nan 8.270 nan 0.000 0.464 197 G N 0.565 109.331 108.800 -0.056 0.000 3.042 197 G HA2 -0.011 3.949 3.960 0.000 0.000 0.212 197 G HA3 -0.011 3.949 3.960 0.000 0.000 0.212 197 G C 0.242 175.092 174.900 -0.083 0.000 1.166 197 G CA -0.417 44.666 45.100 -0.028 0.000 0.767 197 G HN 0.059 nan 8.290 nan 0.000 0.546 198 L N 1.231 122.358 121.223 -0.160 0.000 2.540 198 L HA 0.264 4.604 4.340 0.000 0.000 0.276 198 L C 1.353 178.013 176.870 -0.350 0.000 1.212 198 L CA 0.624 55.298 54.840 -0.275 0.000 0.893 198 L CB 0.665 42.420 42.059 -0.507 0.000 1.138 198 L HN 0.337 nan 8.230 nan 0.000 0.491 199 K N 2.957 123.118 120.400 -0.399 0.000 2.598 199 K HA 0.283 4.603 4.320 0.000 0.000 0.214 199 K C -0.723 175.595 176.600 -0.469 0.000 1.575 199 K CA -0.257 55.684 56.287 -0.578 0.000 1.042 199 K CB 0.458 32.417 32.500 -0.902 0.000 1.338 199 K HN 0.343 nan 8.250 nan 0.000 0.590 200 V N 2.124 121.811 119.914 -0.379 0.000 2.789 200 V HA 0.466 4.586 4.120 0.000 0.000 0.311 200 V C -1.021 174.860 176.094 -0.356 0.000 1.073 200 V CA -0.898 61.202 62.300 -0.333 0.000 0.921 200 V CB 2.180 33.870 31.823 -0.221 0.000 1.009 200 V HN 0.021 nan 8.190 nan 0.000 0.426 201 V N 5.062 124.707 119.914 -0.447 0.000 2.483 201 V HA 0.513 4.633 4.120 0.000 0.000 0.297 201 V C -0.806 175.149 176.094 -0.233 0.000 1.027 201 V CA -0.515 61.560 62.300 -0.375 0.000 0.855 201 V CB 1.685 33.137 31.823 -0.619 0.000 0.995 201 V HN 0.656 nan 8.190 nan 0.000 0.424 202 L N 6.697 127.817 121.223 -0.173 0.000 2.305 202 L HA 0.654 4.995 4.340 0.000 0.000 0.284 202 L C -0.733 176.064 176.870 -0.121 0.000 1.013 202 L CA 0.037 54.742 54.840 -0.224 0.000 0.819 202 L CB 1.313 43.230 42.059 -0.237 0.000 1.227 202 L HN 0.529 nan 8.230 nan 0.000 0.417 203 L N 4.875 126.040 121.223 -0.097 0.000 2.325 203 L HA 0.804 5.144 4.340 0.000 0.000 0.279 203 L C 0.666 177.579 176.870 0.072 0.000 1.054 203 L CA -0.473 54.371 54.840 0.008 0.000 0.804 203 L CB 1.445 43.545 42.059 0.069 0.000 1.200 203 L HN 0.775 nan 8.230 nan 0.000 0.436 204 G N 0.639 109.440 108.800 0.002 0.000 3.013 204 G HA2 0.401 4.361 3.960 0.000 0.000 0.278 204 G HA3 0.401 4.361 3.960 0.000 0.000 0.278 204 G C -0.379 174.459 174.900 -0.104 0.000 1.353 204 G CA -0.246 44.773 45.100 -0.136 0.000 1.043 204 G HN 0.608 nan 8.290 nan 0.000 0.523 205 Q N -1.226 118.424 119.800 -0.250 0.000 2.141 205 Q HA 0.236 4.576 4.340 0.000 0.000 0.207 205 Q C -0.508 175.336 176.000 -0.260 0.000 0.996 205 Q CA 0.631 56.234 55.803 -0.332 0.000 0.850 205 Q CB 0.411 28.823 28.738 -0.542 0.000 0.952 205 Q HN 0.552 nan 8.270 nan 0.000 0.512 206 D N 0.187 120.410 120.400 -0.296 0.000 2.523 206 D HA 0.386 5.026 4.640 0.000 0.000 0.236 206 D C -2.665 173.452 176.300 -0.306 0.000 1.094 206 D CA -1.505 52.358 54.000 -0.229 0.000 0.942 206 D CB 1.575 42.288 40.800 -0.144 0.000 1.447 206 D HN 0.061 nan 8.370 nan 0.000 0.479 207 P HA 0.108 nan 4.420 nan 0.000 0.272 207 P C -0.652 176.527 177.300 -0.201 0.000 1.223 207 P CA -0.186 62.750 63.100 -0.274 0.000 0.784 207 P CB 0.172 31.767 31.700 -0.175 0.000 0.923 208 Y N 1.099 121.307 120.300 -0.154 0.000 2.788 208 Y HA -0.016 4.534 4.550 0.000 0.000 0.341 208 Y C 1.848 177.653 175.900 -0.159 0.000 1.258 208 Y CA 1.024 59.005 58.100 -0.198 0.000 1.503 208 Y CB -0.188 38.166 38.460 -0.176 0.000 1.325 208 Y HN 0.562 nan 8.280 nan 0.000 0.614 209 H N -2.643 116.489 119.070 0.103 0.000 2.674 209 H HA 0.311 4.867 4.556 -0.000 0.000 0.274 209 H C -0.684 174.610 175.328 -0.057 0.000 1.121 209 H CA -0.626 55.414 56.048 -0.014 0.000 1.132 209 H CB 0.169 29.915 29.762 -0.026 0.000 1.606 209 H HN 0.429 nan 8.280 nan 0.000 0.558 210 D N 0.987 121.375 120.400 -0.021 0.000 2.312 210 D HA 0.172 4.812 4.640 0.000 0.000 0.248 210 D C 0.149 176.383 176.300 -0.110 0.000 1.086 210 D CA -0.660 53.349 54.000 0.015 0.000 0.948 210 D CB 1.204 42.023 40.800 0.032 0.000 1.162 210 D HN 0.224 nan 8.370 nan 0.000 0.446 211 L N 2.561 123.670 121.223 -0.190 0.000 2.485 211 L HA 0.073 4.413 4.340 0.000 0.000 0.275 211 L C 0.481 177.143 176.870 -0.346 0.000 1.207 211 L CA 0.122 54.691 54.840 -0.450 0.000 0.855 211 L CB -0.143 41.488 42.059 -0.713 0.000 1.114 211 L HN 0.727 nan 8.230 nan 0.000 0.485 212 H N 0.434 119.505 119.070 0.001 0.000 2.826 212 H HA -0.220 4.336 4.556 0.000 0.000 0.306 212 H C 0.730 176.062 175.328 0.005 0.000 1.235 212 H CA 0.793 56.843 56.048 0.003 0.000 1.150 212 H CB -1.002 28.756 29.762 -0.007 0.000 1.409 212 H HN 0.721 nan 8.280 nan 0.000 0.420 213 Q N 0.080 119.931 119.800 0.084 0.000 2.474 213 Q HA 0.470 4.811 4.340 0.000 0.000 0.191 213 Q C 0.955 177.047 176.000 0.153 0.000 0.700 213 Q CA 0.384 56.223 55.803 0.059 0.000 0.849 213 Q CB 0.918 29.636 28.738 -0.032 0.000 1.232 213 Q HN 0.397 nan 8.270 nan 0.000 0.563 214 A N 0.877 123.800 122.820 0.171 0.000 2.425 214 A HA 0.210 4.530 4.320 0.000 0.000 0.242 214 A C -0.372 177.353 177.584 0.235 0.000 1.077 214 A CA 0.659 52.827 52.037 0.219 0.000 0.781 214 A CB -0.246 18.816 19.000 0.102 0.000 1.020 214 A HN 0.763 nan 8.150 nan 0.000 0.494 215 H N -1.187 117.930 119.070 0.078 0.000 3.043 215 H HA 0.485 5.041 4.556 0.000 0.000 0.244 215 H C 0.623 175.966 175.328 0.024 0.000 1.199 215 H CA 0.193 56.282 56.048 0.069 0.000 0.956 215 H CB -0.179 29.662 29.762 0.132 0.000 2.305 215 H HN 1.534 nan 8.280 nan 0.000 0.665 216 G N 0.613 109.254 108.800 -0.265 0.000 2.157 216 G HA2 -0.232 3.728 3.960 0.000 0.000 0.239 216 G HA3 -0.232 3.728 3.960 0.000 0.000 0.239 216 G C -0.292 174.401 174.900 -0.345 0.000 0.982 216 G CA 0.134 45.071 45.100 -0.272 0.000 0.650 216 G HN 0.387 nan 8.290 nan 0.000 0.527 217 L N 1.024 121.979 121.223 -0.447 0.000 2.346 217 L HA 0.531 4.871 4.340 0.000 0.000 0.276 217 L C 1.582 178.314 176.870 -0.231 0.000 1.006 217 L CA -1.075 53.576 54.840 -0.314 0.000 0.817 217 L CB 1.767 43.651 42.059 -0.293 0.000 1.272 217 L HN 0.473 nan 8.230 nan 0.000 0.421 218 C N 0.614 119.805 119.300 -0.181 0.000 2.634 218 C HA 0.243 4.703 4.460 0.000 0.000 0.417 218 C C 1.264 176.258 174.990 0.007 0.000 1.334 218 C CA -0.342 58.538 59.018 -0.230 0.000 1.829 218 C CB -0.907 26.710 27.740 -0.206 0.000 2.665 218 C HN 0.919 nan 8.230 nan 0.000 0.614 219 F N 0.317 120.201 119.950 -0.110 0.000 2.732 219 F HA -0.215 4.312 4.527 0.000 0.000 0.443 219 F C 1.437 177.410 175.800 0.288 0.000 0.572 219 F CA 1.630 59.677 58.000 0.079 0.000 1.050 219 F CB -1.826 37.265 39.000 0.151 0.000 1.665 219 F HN 0.927 nan 8.300 nan 0.000 0.278 220 S N 0.151 116.059 115.700 0.346 0.000 2.586 220 S HA 0.683 5.153 4.470 0.000 0.000 0.274 220 S C -0.184 174.680 174.600 0.440 0.000 1.281 220 S CA 0.054 58.451 58.200 0.328 0.000 1.035 220 S CB 1.169 64.516 63.200 0.245 0.000 0.962 220 S HN 0.618 nan 8.310 nan 0.000 0.512 221 V N 3.016 123.141 119.914 0.351 0.000 3.001 221 V HA 0.636 4.757 4.120 0.000 0.000 0.314 221 V C -0.300 175.946 176.094 0.253 0.000 1.099 221 V CA -1.216 61.245 62.300 0.268 0.000 0.989 221 V CB 1.120 32.935 31.823 -0.014 0.000 1.040 221 V HN 0.854 nan 8.190 nan 0.000 0.434 222 L N 2.247 123.545 121.223 0.124 0.000 2.482 222 L HA 0.328 4.668 4.340 0.000 0.000 0.273 222 L C -1.995 174.832 176.870 -0.071 0.000 1.228 222 L CA -1.149 53.651 54.840 -0.066 0.000 0.827 222 L CB 0.262 42.270 42.059 -0.086 0.000 1.099 222 L HN 0.500 nan 8.230 nan 0.000 0.494 223 P HA 0.019 nan 4.420 nan 0.000 0.270 223 P C -0.198 177.045 177.300 -0.095 0.000 1.223 223 P CA 0.068 63.060 63.100 -0.181 0.000 0.785 223 P CB 0.422 31.901 31.700 -0.370 0.000 0.923 224 E N -2.838 117.339 120.200 -0.037 0.000 3.916 224 E HA -0.133 4.217 4.350 0.000 0.000 0.331 224 E C -0.412 176.182 176.600 -0.010 0.000 0.729 224 E CA 0.643 57.028 56.400 -0.024 0.000 1.222 224 E CB -2.150 27.521 29.700 -0.049 0.000 1.633 224 E HN 0.212 nan 8.360 nan 0.000 0.437 225 V N 1.764 121.675 119.914 -0.004 0.000 2.481 225 V HA 0.318 4.438 4.120 0.000 0.000 0.286 225 V C -1.807 174.278 176.094 -0.015 0.000 1.042 225 V CA -1.433 60.858 62.300 -0.014 0.000 0.928 225 V CB 1.306 33.112 31.823 -0.028 0.000 0.986 225 V HN -0.091 nan 8.190 nan 0.000 0.462 226 P HA 0.124 nan 4.420 nan 0.000 0.267 226 P C -0.482 176.779 177.300 -0.066 0.000 1.200 226 P CA -0.141 62.940 63.100 -0.032 0.000 0.772 226 P CB 0.326 32.005 31.700 -0.035 0.000 0.855 227 L N 4.818 126.011 121.223 -0.049 0.000 2.410 227 L HA 0.184 4.524 4.340 0.000 0.000 0.273 227 L C -1.910 174.891 176.870 -0.114 0.000 1.144 227 L CA -1.747 53.038 54.840 -0.091 0.000 0.863 227 L CB -0.008 42.008 42.059 -0.071 0.000 1.140 227 L HN 0.235 nan 8.230 nan 0.000 0.463 228 P HA 0.093 nan 4.420 nan 0.000 0.270 228 P C -2.057 175.221 177.300 -0.037 0.000 1.223 228 P CA -1.113 61.906 63.100 -0.135 0.000 0.785 228 P CB 0.230 31.783 31.700 -0.245 0.000 0.923 229 P HA -0.155 nan 4.420 nan 0.000 0.215 229 P C 1.448 178.761 177.300 0.021 0.000 1.153 229 P CA 1.756 64.871 63.100 0.024 0.000 0.853 229 P CB -0.178 31.545 31.700 0.039 0.000 0.788 230 S N -0.580 115.158 115.700 0.063 0.000 2.370 230 S HA -0.158 4.312 4.470 0.000 0.000 0.226 230 S C 1.768 176.339 174.600 -0.049 0.000 1.033 230 S CA 1.075 59.288 58.200 0.021 0.000 1.011 230 S CB -1.161 62.176 63.200 0.230 0.000 0.852 230 S HN 0.052 nan 8.310 nan 0.000 0.457 231 L N 2.069 123.302 121.223 0.017 0.000 2.083 231 L HA -0.011 4.329 4.340 0.000 0.000 0.209 231 L C 2.167 178.851 176.870 -0.310 0.000 1.083 231 L CA 1.598 56.350 54.840 -0.147 0.000 0.752 231 L CB -0.528 41.436 42.059 -0.157 0.000 0.899 231 L HN 0.154 nan 8.230 nan 0.000 0.433 232 R N -0.643 119.762 120.500 -0.159 0.000 2.091 232 R HA -0.153 4.187 4.340 0.000 0.000 0.238 232 R C 1.940 178.301 176.300 0.102 0.000 1.136 232 R CA 1.503 57.583 56.100 -0.034 0.000 0.959 232 R CB -0.607 29.712 30.300 0.031 0.000 0.856 232 R HN 0.439 nan 8.270 nan 0.000 0.437 233 N N 0.772 119.524 118.700 0.086 0.000 2.244 233 N HA -0.069 4.671 4.740 0.000 0.000 0.183 233 N C 1.825 177.527 175.510 0.320 0.000 1.016 233 N CA 0.995 54.184 53.050 0.233 0.000 0.866 233 N CB -0.089 38.387 38.487 -0.018 0.000 0.980 233 N HN 0.215 nan 8.380 nan 0.000 0.430 234 I N 0.189 120.813 120.570 0.089 0.000 2.179 234 I HA -0.291 3.879 4.170 0.000 0.000 0.242 234 I C 1.778 178.073 176.117 0.297 0.000 1.088 234 I CA 1.001 62.451 61.300 0.250 0.000 1.357 234 I CB -0.265 37.794 38.000 0.098 0.000 1.051 234 I HN 0.066 nan 8.210 nan 0.000 0.409 235 Y N 1.415 121.783 120.300 0.113 0.000 2.181 235 Y HA -0.218 4.332 4.550 -0.000 0.000 0.288 235 Y C 2.508 178.470 175.900 0.103 0.000 1.146 235 Y CA 0.888 59.051 58.100 0.106 0.000 1.164 235 Y CB -0.958 37.609 38.460 0.180 0.000 0.982 235 Y HN 0.156 nan 8.280 nan 0.000 0.515 236 K N -0.180 120.425 120.400 0.341 0.000 2.032 236 K HA -0.236 4.084 4.320 0.000 0.000 0.209 236 K C 2.066 178.777 176.600 0.184 0.000 1.048 236 K CA 1.744 58.181 56.287 0.249 0.000 0.927 236 K CB -0.135 32.539 32.500 0.290 0.000 0.712 236 K HN 0.121 nan 8.250 nan 0.000 0.441 237 E N 1.337 121.695 120.200 0.264 0.000 2.072 237 E HA -0.104 4.246 4.350 0.000 0.000 0.191 237 E C 1.844 178.377 176.600 -0.112 0.000 0.985 237 E CA 0.942 57.395 56.400 0.088 0.000 0.801 237 E CB -0.196 29.483 29.700 -0.036 0.000 0.750 237 E HN 0.176 nan 8.360 nan 0.000 0.452 238 L N 0.092 121.107 121.223 -0.346 0.000 2.079 238 L HA -0.209 4.131 4.340 0.000 0.000 0.210 238 L C 2.382 178.954 176.870 -0.496 0.000 1.081 238 L CA 1.780 56.101 54.840 -0.865 0.000 0.752 238 L CB -0.565 40.455 42.059 -1.731 0.000 0.896 238 L HN 0.219 nan 8.230 nan 0.000 0.433 239 T N -1.575 112.897 114.554 -0.136 0.000 2.746 239 T HA -0.167 4.183 4.350 0.000 0.000 0.267 239 T C 1.860 176.579 174.700 0.031 0.000 1.039 239 T CA 1.894 64.066 62.100 0.121 0.000 1.142 239 T CB -0.314 68.657 68.868 0.173 0.000 0.866 239 T HN 0.575 nan 8.240 nan 0.000 0.444 240 T N -0.376 114.166 114.554 -0.021 0.000 3.014 240 T HA -0.006 4.344 4.350 0.000 0.000 0.263 240 T C 1.687 176.356 174.700 -0.051 0.000 1.078 240 T CA 1.030 63.111 62.100 -0.031 0.000 1.135 240 T CB -0.163 68.680 68.868 -0.041 0.000 0.895 240 T HN 0.201 nan 8.240 nan 0.000 0.480 241 D N 0.916 121.263 120.400 -0.087 0.000 2.149 241 D HA 0.032 4.672 4.640 0.000 0.000 0.206 241 D C 0.353 176.615 176.300 -0.063 0.000 0.967 241 D CA 0.372 54.317 54.000 -0.091 0.000 0.848 241 D CB -0.056 40.679 40.800 -0.109 0.000 0.998 241 D HN 0.273 nan 8.370 nan 0.000 0.474 242 I N 2.036 122.555 120.570 -0.084 0.000 2.306 242 I HA 0.336 4.507 4.170 0.000 0.000 0.288 242 I C 0.135 176.286 176.117 0.057 0.000 1.036 242 I CA -0.965 60.328 61.300 -0.011 0.000 1.221 242 I CB 0.090 38.067 38.000 -0.038 0.000 1.385 242 I HN -0.022 nan 8.210 nan 0.000 0.472 243 A N 4.852 127.703 122.820 0.051 0.000 2.573 243 A HA 0.373 4.693 4.320 0.000 0.000 0.250 243 A C 1.418 179.047 177.584 0.075 0.000 1.049 243 A CA 0.937 53.006 52.037 0.053 0.000 0.767 243 A CB -0.478 18.545 19.000 0.039 0.000 0.965 243 A HN 1.350 nan 8.150 nan 0.000 0.514 244 G N 1.611 110.453 108.800 0.071 0.000 2.176 244 G HA2 -0.254 3.707 3.960 0.000 0.000 0.253 244 G HA3 -0.254 3.707 3.960 0.000 0.000 0.253 244 G C 0.194 175.132 174.900 0.064 0.000 0.979 244 G CA 0.266 45.399 45.100 0.055 0.000 0.641 244 G HN 1.522 nan 8.290 nan 0.000 0.530 245 F N 2.059 121.987 119.950 -0.037 0.000 2.572 245 F HA 0.501 5.029 4.527 0.001 0.000 0.370 245 F C 0.573 176.331 175.800 -0.069 0.000 1.103 245 F CA 0.649 58.616 58.000 -0.056 0.000 1.286 245 F CB 0.719 39.675 39.000 -0.074 0.000 1.105 245 F HN 0.231 nan 8.300 nan 0.000 0.583 246 Q N 5.486 124.795 119.800 -0.819 0.000 2.327 246 Q HA 0.588 4.929 4.340 0.000 0.000 0.270 246 Q C -1.073 174.330 176.000 -0.995 0.000 1.022 246 Q CA -1.084 54.352 55.803 -0.611 0.000 0.773 246 Q CB 1.541 30.076 28.738 -0.338 0.000 1.251 246 Q HN 0.896 nan 8.270 nan 0.000 0.457 247 A N 5.668 128.119 122.820 -0.615 0.000 2.488 247 A HA 0.447 4.767 4.320 0.000 0.000 0.249 247 A C -2.270 175.014 177.584 -0.500 0.000 1.083 247 A CA -0.924 50.747 52.037 -0.610 0.000 0.768 247 A CB -0.123 18.760 19.000 -0.196 0.000 1.017 247 A HN 0.567 nan 8.150 nan 0.000 0.496 248 P HA 0.231 nan 4.420 nan 0.000 0.275 248 P C 0.218 177.398 177.300 -0.199 0.000 1.266 248 P CA -0.369 62.494 63.100 -0.394 0.000 0.793 248 P CB 0.610 31.912 31.700 -0.664 0.000 1.074 249 K N -0.560 119.783 120.400 -0.094 0.000 2.314 249 K HA 0.028 4.348 4.320 0.000 0.000 0.198 249 K C 0.984 177.631 176.600 0.077 0.000 1.045 249 K CA 0.873 57.175 56.287 0.026 0.000 0.988 249 K CB -0.839 31.687 32.500 0.044 0.000 0.783 249 K HN 0.747 nan 8.250 nan 0.000 0.484 250 H N -2.391 116.746 119.070 0.112 0.000 2.499 250 H HA 0.519 5.075 4.556 0.000 0.000 0.352 250 H C 0.861 176.319 175.328 0.218 0.000 1.237 250 H CA -0.486 55.632 56.048 0.115 0.000 1.343 250 H CB 0.978 30.781 29.762 0.069 0.000 1.578 250 H HN -0.045 nan 8.280 nan 0.000 0.577 251 G N 0.031 109.023 108.800 0.319 0.000 3.690 251 G HA2 0.007 3.967 3.960 0.000 0.000 0.283 251 G HA3 0.007 3.967 3.960 0.000 0.000 0.283 251 G C -1.003 174.101 174.900 0.340 0.000 1.057 251 G CA -0.242 44.999 45.100 0.236 0.000 0.821 251 G HN 0.595 nan 8.290 nan 0.000 0.526 252 Y N 1.438 121.981 120.300 0.406 0.000 2.425 252 Y HA 0.475 5.025 4.550 0.000 0.000 0.347 252 Y C 0.698 176.674 175.900 0.127 0.000 0.976 252 Y CA -1.012 57.203 58.100 0.192 0.000 1.190 252 Y CB 0.851 39.311 38.460 -0.001 0.000 1.136 252 Y HN -0.026 nan 8.280 nan 0.000 0.517 253 L N 5.350 126.434 121.223 -0.232 0.000 2.769 253 L HA 0.136 4.476 4.340 0.000 0.000 0.240 253 L C 1.726 178.389 176.870 -0.346 0.000 1.163 253 L CA 0.058 54.653 54.840 -0.409 0.000 0.962 253 L CB 0.120 41.946 42.059 -0.388 0.000 1.258 253 L HN 0.609 nan 8.230 nan 0.000 0.513 254 Q N 1.151 120.616 119.800 -0.559 0.000 2.234 254 Q HA -0.197 4.144 4.340 0.000 0.000 0.206 254 Q C 2.280 178.224 176.000 -0.094 0.000 0.980 254 Q CA 2.044 57.642 55.803 -0.342 0.000 0.869 254 Q CB 0.077 28.472 28.738 -0.571 0.000 0.912 254 Q HN 0.569 nan 8.270 nan 0.000 0.436 255 S N -1.499 114.163 115.700 -0.063 0.000 2.474 255 S HA -0.115 4.355 4.470 0.000 0.000 0.235 255 S C 1.236 175.979 174.600 0.239 0.000 0.997 255 S CA 0.577 58.834 58.200 0.096 0.000 0.949 255 S CB -0.497 62.781 63.200 0.130 0.000 0.766 255 S HN 0.483 nan 8.310 nan 0.000 0.517 256 W N 2.077 123.411 121.300 0.057 0.000 2.407 256 W HA 0.198 4.859 4.660 0.001 0.000 0.305 256 W C 3.142 179.657 176.519 -0.006 0.000 1.196 256 W CA -0.045 57.321 57.345 0.036 0.000 1.311 256 W CB -1.480 28.050 29.460 0.116 0.000 1.135 256 W HN 0.454 nan 8.180 nan 0.000 0.514 257 S N 0.456 116.300 115.700 0.239 0.000 2.370 257 S HA -0.233 4.237 4.470 0.000 0.000 0.226 257 S C 1.601 176.261 174.600 0.100 0.000 1.033 257 S CA 1.905 60.176 58.200 0.119 0.000 1.011 257 S CB -0.283 62.952 63.200 0.058 0.000 0.852 257 S HN 0.333 nan 8.310 nan 0.000 0.457 258 E N 0.238 120.500 120.200 0.103 0.000 2.333 258 E HA -0.142 4.208 4.350 0.000 0.000 0.198 258 E C 2.111 178.755 176.600 0.073 0.000 1.007 258 E CA 0.939 57.395 56.400 0.093 0.000 0.845 258 E CB -0.090 29.663 29.700 0.089 0.000 0.766 258 E HN 0.692 nan 8.360 nan 0.000 0.507 259 Q N -0.830 119.005 119.800 0.059 0.000 2.424 259 Q HA 0.073 4.413 4.340 0.000 0.000 0.204 259 Q C 0.796 176.778 176.000 -0.030 0.000 0.933 259 Q CA 0.509 56.315 55.803 0.005 0.000 0.929 259 Q CB 0.906 29.625 28.738 -0.031 0.000 1.037 259 Q HN 0.335 nan 8.270 nan 0.000 0.511 260 G N 1.530 110.325 108.800 -0.009 0.000 2.186 260 G HA2 -0.198 3.762 3.960 0.000 0.000 0.130 260 G HA3 -0.198 3.762 3.960 0.000 0.000 0.130 260 G C -0.425 174.416 174.900 -0.099 0.000 1.031 260 G CA -0.257 44.815 45.100 -0.046 0.000 0.697 260 G HN 0.227 nan 8.290 nan 0.000 0.494 261 M N 1.110 120.677 119.600 -0.055 0.000 2.078 261 M HA 0.719 5.199 4.480 0.000 0.000 0.320 261 M C -0.416 175.861 176.300 -0.038 0.000 0.969 261 M CA -1.202 54.054 55.300 -0.074 0.000 0.929 261 M CB 1.022 33.598 32.600 -0.040 0.000 1.504 261 M HN 0.179 nan 8.290 nan 0.000 0.419 262 L N 6.564 127.732 121.223 -0.091 0.000 2.325 262 L HA 0.375 4.715 4.340 0.000 0.000 0.284 262 L C -0.947 175.841 176.870 -0.136 0.000 1.089 262 L CA 0.724 55.486 54.840 -0.129 0.000 0.836 262 L CB 0.531 42.514 42.059 -0.127 0.000 1.184 262 L HN 0.798 nan 8.230 nan 0.000 0.444 263 M N 6.949 126.466 119.600 -0.139 0.000 3.028 263 M HA 0.252 4.732 4.480 0.000 0.000 0.296 263 M C -1.018 175.179 176.300 -0.172 0.000 1.314 263 M CA -0.465 54.785 55.300 -0.083 0.000 1.383 263 M CB 0.584 33.187 32.600 0.004 0.000 1.128 263 M HN 0.421 nan 8.290 nan 0.000 0.544 264 L N 3.269 124.391 121.223 -0.168 0.000 2.265 264 L HA 0.462 4.802 4.340 0.000 0.000 0.289 264 L C -0.261 176.527 176.870 -0.136 0.000 1.033 264 L CA -0.049 54.672 54.840 -0.199 0.000 0.814 264 L CB 0.562 42.529 42.059 -0.155 0.000 1.203 264 L HN 0.380 nan 8.230 nan 0.000 0.423 265 N N 3.249 121.839 118.700 -0.184 0.000 2.525 265 N HA 0.239 4.979 4.740 0.000 0.000 0.271 265 N C 0.766 176.238 175.510 -0.063 0.000 1.194 265 N CA 0.500 53.452 53.050 -0.164 0.000 0.964 265 N CB 1.828 40.164 38.487 -0.252 0.000 1.126 265 N HN 0.807 nan 8.380 nan 0.000 0.452 266 A N 1.441 124.278 122.820 0.029 0.000 1.930 266 A HA -0.040 4.280 4.320 0.000 0.000 0.217 266 A C 0.738 178.410 177.584 0.145 0.000 1.175 266 A CA 1.223 53.350 52.037 0.150 0.000 0.627 266 A CB -0.122 19.071 19.000 0.322 0.000 0.815 266 A HN 0.583 nan 8.150 nan 0.000 0.443 267 T N -0.006 114.572 114.554 0.040 0.000 2.792 267 T HA 0.550 4.900 4.350 0.000 0.000 0.280 267 T C 0.490 175.016 174.700 -0.290 0.000 0.990 267 T CA -0.408 61.701 62.100 0.016 0.000 0.960 267 T CB 1.428 70.368 68.868 0.119 0.000 0.939 267 T HN 0.170 nan 8.240 nan 0.000 0.439 268 L N 2.435 123.145 121.223 -0.855 0.000 2.607 268 L HA 0.224 4.565 4.340 0.000 0.000 0.228 268 L C 1.138 177.643 176.870 -0.609 0.000 1.123 268 L CA 0.048 54.309 54.840 -0.964 0.000 0.890 268 L CB 0.050 41.166 42.059 -1.571 0.000 1.103 268 L HN 0.713 nan 8.230 nan 0.000 0.468 269 T N -3.407 110.998 114.554 -0.249 0.000 2.865 269 T HA 0.693 5.043 4.350 0.000 0.000 0.294 269 T C -0.827 173.889 174.700 0.025 0.000 1.119 269 T CA -0.764 61.376 62.100 0.068 0.000 1.007 269 T CB 2.826 71.982 68.868 0.481 0.000 1.225 269 T HN -0.221 nan 8.240 nan 0.000 0.515 270 V N -0.272 119.528 119.914 -0.190 0.000 3.077 270 V HA 0.552 4.672 4.120 0.000 0.000 0.299 270 V C -1.175 174.635 176.094 -0.473 0.000 1.276 270 V CA -0.838 61.212 62.300 -0.417 0.000 0.993 270 V CB 2.012 33.745 31.823 -0.151 0.000 1.076 270 V HN 1.197 nan 8.190 nan 0.000 0.434 271 E N 3.603 123.496 120.200 -0.512 0.000 2.354 271 E HA 0.628 4.978 4.350 0.000 0.000 0.269 271 E C 0.220 176.714 176.600 -0.178 0.000 1.036 271 E CA 0.051 56.307 56.400 -0.240 0.000 0.876 271 E CB 1.535 31.168 29.700 -0.112 0.000 1.009 271 E HN 1.123 nan 8.360 nan 0.000 0.416 272 A N 4.317 127.021 122.820 -0.192 0.000 2.567 272 A HA -0.053 4.267 4.320 0.000 0.000 0.240 272 A C 0.028 177.441 177.584 -0.284 0.000 1.053 272 A CA 0.498 52.333 52.037 -0.336 0.000 0.755 272 A CB -0.177 18.529 19.000 -0.490 0.000 0.978 272 A HN 1.004 nan 8.150 nan 0.000 0.507 273 H N -0.022 119.061 119.070 0.021 0.000 3.395 273 H HA -0.131 4.425 4.556 -0.000 0.000 0.222 273 H C -0.319 174.802 175.328 -0.345 0.000 1.099 273 H CA 1.808 57.833 56.048 -0.039 0.000 1.182 273 H CB -1.599 28.155 29.762 -0.013 0.000 1.188 273 H HN 0.794 nan 8.280 nan 0.000 0.317 274 K N 0.688 120.906 120.400 -0.303 0.000 2.592 274 K HA 0.641 4.961 4.320 0.000 0.000 0.212 274 K C 0.180 176.580 176.600 -0.333 0.000 1.013 274 K CA 0.219 56.337 56.287 -0.282 0.000 1.034 274 K CB 1.701 34.130 32.500 -0.117 0.000 1.292 274 K HN 0.315 nan 8.250 nan 0.000 0.521 275 A N 2.407 124.927 122.820 -0.500 0.000 2.565 275 A HA 0.007 4.327 4.320 0.000 0.000 0.237 275 A C 0.611 178.138 177.584 -0.096 0.000 1.053 275 A CA 0.257 52.176 52.037 -0.196 0.000 0.755 275 A CB -0.081 18.882 19.000 -0.062 0.000 0.980 275 A HN 0.941 nan 8.150 nan 0.000 0.506 276 N N 0.109 118.777 118.700 -0.053 0.000 2.863 276 N HA -0.230 4.510 4.740 0.000 0.000 0.245 276 N C 1.158 176.683 175.510 0.025 0.000 1.001 276 N CA 1.564 54.600 53.050 -0.025 0.000 0.901 276 N CB -1.813 36.657 38.487 -0.029 0.000 1.124 276 N HN 1.030 nan 8.380 nan 0.000 0.582 277 S N -1.159 114.547 115.700 0.011 0.000 2.442 277 S HA -0.090 4.380 4.470 0.000 0.000 0.236 277 S C 1.221 176.007 174.600 0.310 0.000 1.007 277 S CA 0.980 59.237 58.200 0.096 0.000 0.965 277 S CB -0.308 62.913 63.200 0.034 0.000 0.773 277 S HN 0.643 nan 8.310 nan 0.000 0.504 278 H N 0.775 119.915 119.070 0.117 0.000 2.652 278 H HA 0.228 4.784 4.556 -0.000 0.000 0.274 278 H C 2.154 177.530 175.328 0.080 0.000 1.021 278 H CA 0.261 56.402 56.048 0.155 0.000 1.187 278 H CB 0.396 30.324 29.762 0.276 0.000 1.505 278 H HN 0.623 nan 8.280 nan 0.000 0.530 279 S N 1.025 116.835 115.700 0.184 0.000 2.368 279 S HA -0.135 4.335 4.470 0.000 0.000 0.225 279 S C 1.788 176.445 174.600 0.095 0.000 1.030 279 S CA 0.895 59.178 58.200 0.139 0.000 0.999 279 S CB 0.074 63.335 63.200 0.102 0.000 0.844 279 S HN 0.176 nan 8.310 nan 0.000 0.459 280 K N 1.109 121.543 120.400 0.057 0.000 2.334 280 K HA 0.185 4.505 4.320 0.000 0.000 0.195 280 K C 2.169 178.730 176.600 -0.065 0.000 1.045 280 K CA 1.286 57.582 56.287 0.015 0.000 1.004 280 K CB -0.563 31.954 32.500 0.028 0.000 0.837 280 K HN 0.763 nan 8.250 nan 0.000 0.510 281 T N -2.025 112.445 114.554 -0.141 0.000 3.023 281 T HA -0.004 4.346 4.350 0.000 0.000 0.249 281 T C 2.015 176.201 174.700 -0.857 0.000 1.050 281 T CA 0.718 62.628 62.100 -0.316 0.000 1.088 281 T CB -0.005 68.796 68.868 -0.113 0.000 0.946 281 T HN 0.097 nan 8.240 nan 0.000 0.480 282 S N 1.129 116.291 115.700 -0.897 0.000 2.425 282 S HA 0.391 4.861 4.470 0.000 0.000 0.225 282 S C 2.174 176.306 174.600 -0.779 0.000 1.024 282 S CA 0.741 58.137 58.200 -1.340 0.000 0.951 282 S CB -0.770 62.026 63.200 -0.673 0.000 0.796 282 S HN 1.246 nan 8.310 nan 0.000 0.498 283 G N -0.008 108.561 108.800 -0.384 0.000 2.176 283 G HA2 -0.274 3.686 3.960 0.000 0.000 0.253 283 G HA3 -0.274 3.686 3.960 0.000 0.000 0.253 283 G C 0.533 175.439 174.900 0.009 0.000 0.979 283 G CA 0.153 45.138 45.100 -0.191 0.000 0.641 283 G HN 0.558 nan 8.290 nan 0.000 0.530 284 W N 0.650 121.971 121.300 0.034 0.000 2.363 284 W HA 0.184 4.844 4.660 0.000 0.000 0.296 284 W C 2.837 179.515 176.519 0.265 0.000 1.212 284 W CA 1.547 58.992 57.345 0.167 0.000 1.260 284 W CB -0.203 29.328 29.460 0.119 0.000 1.131 284 W HN 0.466 nan 8.180 nan 0.000 0.530 285 A N 0.421 123.495 122.820 0.424 0.000 1.978 285 A HA -0.132 4.188 4.320 0.000 0.000 0.220 285 A C 2.010 179.786 177.584 0.320 0.000 1.170 285 A CA 2.149 54.383 52.037 0.328 0.000 0.636 285 A CB -1.159 17.980 19.000 0.231 0.000 0.810 285 A HN 0.226 nan 8.150 nan 0.000 0.448 286 A N -1.236 121.788 122.820 0.340 0.000 1.930 286 A HA 0.002 4.322 4.320 0.000 0.000 0.217 286 A C 2.010 179.939 177.584 0.576 0.000 1.175 286 A CA 1.482 53.751 52.037 0.386 0.000 0.627 286 A CB -0.656 18.541 19.000 0.328 0.000 0.815 286 A HN 0.677 nan 8.150 nan 0.000 0.443 287 F N 1.953 122.214 119.950 0.518 0.000 2.075 287 F HA -0.201 4.326 4.527 0.000 0.000 0.297 287 F C 2.747 178.692 175.800 0.241 0.000 1.113 287 F CA 2.572 60.777 58.000 0.342 0.000 1.218 287 F CB -0.627 38.660 39.000 0.479 0.000 0.984 287 F HN 0.324 nan 8.300 nan 0.000 0.472 288 T N -2.591 112.166 114.554 0.338 0.000 2.867 288 T HA -0.141 4.209 4.350 0.000 0.000 0.268 288 T C 1.622 176.378 174.700 0.095 0.000 1.057 288 T CA 1.328 63.528 62.100 0.166 0.000 1.136 288 T CB -0.669 68.366 68.868 0.279 0.000 0.874 288 T HN 0.195 nan 8.240 nan 0.000 0.466 289 D N 2.176 122.660 120.400 0.140 0.000 2.104 289 D HA 0.003 4.643 4.640 0.000 0.000 0.194 289 D C 2.482 178.829 176.300 0.079 0.000 0.994 289 D CA 1.577 55.642 54.000 0.109 0.000 0.830 289 D CB -0.742 40.135 40.800 0.129 0.000 0.959 289 D HN 0.565 nan 8.370 nan 0.000 0.452 290 A N 0.453 123.304 122.820 0.050 0.000 1.908 290 A HA -0.159 4.161 4.320 0.000 0.000 0.218 290 A C 2.538 180.063 177.584 -0.100 0.000 1.181 290 A CA 1.395 53.411 52.037 -0.035 0.000 0.627 290 A CB -0.791 18.098 19.000 -0.185 0.000 0.818 290 A HN 0.155 nan 8.150 nan 0.000 0.445 291 V N 0.227 120.026 119.914 -0.193 0.000 2.287 291 V HA -0.305 3.815 4.120 0.000 0.000 0.248 291 V C 2.434 178.656 176.094 0.214 0.000 1.053 291 V CA 2.185 64.478 62.300 -0.012 0.000 1.027 291 V CB -0.739 31.077 31.823 -0.013 0.000 0.646 291 V HN 0.589 nan 8.190 nan 0.000 0.447 292 I N -0.375 120.296 120.570 0.167 0.000 2.163 292 I HA -0.345 3.825 4.170 0.000 0.000 0.243 292 I C 2.721 178.944 176.117 0.176 0.000 1.085 292 I CA 1.814 63.235 61.300 0.202 0.000 1.347 292 I CB -0.469 37.605 38.000 0.123 0.000 1.044 292 I HN 0.371 nan 8.210 nan 0.000 0.408 293 Q N -0.570 119.312 119.800 0.137 0.000 2.084 293 Q HA -0.278 4.062 4.340 0.000 0.000 0.202 293 Q C 2.214 178.352 176.000 0.231 0.000 0.978 293 Q CA 1.817 57.704 55.803 0.139 0.000 0.844 293 Q CB -0.290 28.525 28.738 0.128 0.000 0.898 293 Q HN 0.537 nan 8.270 nan 0.000 0.426 294 H N 0.508 119.678 119.070 0.166 0.000 2.357 294 H HA -0.019 4.537 4.556 0.000 0.000 0.301 294 H C 1.827 177.441 175.328 0.477 0.000 1.082 294 H CA 1.227 57.419 56.048 0.239 0.000 1.342 294 H CB -0.046 29.733 29.762 0.028 0.000 1.389 294 H HN 0.097 nan 8.280 nan 0.000 0.511 295 L N -0.940 120.619 121.223 0.560 0.000 2.012 295 L HA -0.225 4.115 4.340 0.000 0.000 0.210 295 L C 2.747 179.818 176.870 0.335 0.000 1.073 295 L CA 1.598 56.746 54.840 0.513 0.000 0.748 295 L CB -0.728 41.571 42.059 0.400 0.000 0.891 295 L HN 0.293 nan 8.230 nan 0.000 0.431 296 S N -0.636 115.216 115.700 0.253 0.000 2.365 296 S HA -0.268 4.202 4.470 0.000 0.000 0.225 296 S C 1.965 176.746 174.600 0.301 0.000 1.039 296 S CA 1.717 60.047 58.200 0.216 0.000 1.033 296 S CB -0.110 63.143 63.200 0.087 0.000 0.887 296 S HN 0.459 nan 8.310 nan 0.000 0.447 297 Q N -1.446 118.432 119.800 0.130 0.000 2.137 297 Q HA 0.019 4.359 4.340 0.000 0.000 0.198 297 Q C 1.475 177.315 176.000 -0.266 0.000 0.960 297 Q CA 1.009 56.752 55.803 -0.100 0.000 0.847 297 Q CB -0.031 28.578 28.738 -0.216 0.000 0.915 297 Q HN 0.702 nan 8.270 nan 0.000 0.448 298 H N -1.923 117.196 119.070 0.083 0.000 3.170 298 H HA 0.112 4.668 4.556 0.001 0.000 0.264 298 H C 0.197 175.654 175.328 0.215 0.000 1.113 298 H CA -0.128 55.959 56.048 0.065 0.000 1.194 298 H CB 0.704 30.337 29.762 -0.216 0.000 1.553 298 H HN 0.174 nan 8.280 nan 0.000 0.538 299 H N 3.763 122.988 119.070 0.257 0.000 2.815 299 H HA -0.002 4.554 4.556 0.000 0.000 0.350 299 H C -1.432 173.908 175.328 0.020 0.000 1.080 299 H CA -1.176 54.886 56.048 0.022 0.000 1.433 299 H CB 1.731 31.404 29.762 -0.149 0.000 1.432 299 H HN 0.081 nan 8.280 nan 0.000 0.592 300 P HA -0.091 nan 4.420 nan 0.000 0.220 300 P C -0.160 177.161 177.300 0.035 0.000 1.148 300 P CA 0.862 63.881 63.100 -0.135 0.000 0.803 300 P CB 0.480 32.036 31.700 -0.241 0.000 0.782 301 N N 0.284 119.136 118.700 0.254 0.000 2.492 301 N HA 0.216 4.956 4.740 0.000 0.000 0.289 301 N C 0.256 175.928 175.510 0.270 0.000 1.133 301 N CA -0.567 52.617 53.050 0.224 0.000 0.961 301 N CB 0.859 39.496 38.487 0.249 0.000 1.186 301 N HN -0.066 nan 8.380 nan 0.000 0.493 302 R N 0.683 121.310 120.500 0.213 0.000 2.490 302 R HA 0.440 4.780 4.340 0.000 0.000 0.280 302 R C -0.296 176.223 176.300 0.366 0.000 1.077 302 R CA -0.127 56.138 56.100 0.274 0.000 1.065 302 R CB 0.514 30.882 30.300 0.114 0.000 1.003 302 R HN 0.384 nan 8.270 nan 0.000 0.470 303 L N 1.631 123.121 121.223 0.446 0.000 2.371 303 L HA 0.529 4.869 4.340 0.000 0.000 0.262 303 L C -0.732 176.151 176.870 0.022 0.000 1.006 303 L CA -1.329 53.514 54.840 0.004 0.000 0.818 303 L CB 2.266 44.068 42.059 -0.429 0.000 1.354 303 L HN 0.271 nan 8.230 nan 0.000 0.415 304 V N 1.785 121.602 119.914 -0.163 0.000 2.370 304 V HA 0.378 4.498 4.120 0.000 0.000 0.283 304 V C -0.612 175.354 176.094 -0.212 0.000 1.023 304 V CA -0.256 62.007 62.300 -0.063 0.000 0.857 304 V CB 1.116 32.914 31.823 -0.042 0.000 0.985 304 V HN 0.363 nan 8.190 nan 0.000 0.443 305 F N 5.207 125.130 119.950 -0.044 0.000 2.404 305 F HA 0.546 5.073 4.527 -0.000 0.000 0.354 305 F C 0.184 175.943 175.800 -0.069 0.000 1.122 305 F CA -0.537 57.421 58.000 -0.071 0.000 1.080 305 F CB 1.264 40.229 39.000 -0.058 0.000 1.131 305 F HN 0.215 nan 8.300 nan 0.000 0.471 306 L N 5.662 126.878 121.223 -0.011 0.000 2.265 306 L HA 0.457 4.797 4.340 0.000 0.000 0.289 306 L C -0.768 175.967 176.870 -0.224 0.000 1.033 306 L CA -0.479 54.285 54.840 -0.125 0.000 0.814 306 L CB 0.992 42.847 42.059 -0.341 0.000 1.203 306 L HN 0.516 nan 8.230 nan 0.000 0.423 307 L N 3.379 124.592 121.223 -0.015 0.000 2.318 307 L HA 0.404 4.744 4.340 0.000 0.000 0.277 307 L C -1.168 175.876 176.870 0.290 0.000 1.008 307 L CA -0.410 54.471 54.840 0.069 0.000 0.846 307 L CB 1.112 43.234 42.059 0.104 0.000 1.220 307 L HN 0.525 nan 8.230 nan 0.000 0.423 308 W N 3.148 124.524 121.300 0.127 0.000 2.329 308 W HA 0.671 5.331 4.660 -0.001 0.000 0.312 308 W C 0.695 177.348 176.519 0.224 0.000 1.054 308 W CA -0.881 56.532 57.345 0.113 0.000 1.245 308 W CB 1.284 30.717 29.460 -0.045 0.000 1.255 308 W HN 0.670 nan 8.180 nan 0.000 0.436 309 G N 1.020 110.069 108.800 0.415 0.000 2.730 309 G HA2 -0.016 3.944 3.960 0.000 0.000 0.686 309 G HA3 -0.016 3.944 3.960 0.000 0.000 0.686 309 G C 0.729 175.776 174.900 0.244 0.000 1.343 309 G CA -0.388 44.913 45.100 0.334 0.000 0.826 309 G HN 0.929 nan 8.290 nan 0.000 0.582 310 G N -0.735 108.172 108.800 0.178 0.000 2.422 310 G HA2 -0.014 3.946 3.960 0.000 0.000 0.218 310 G HA3 -0.014 3.946 3.960 0.000 0.000 0.218 310 G C 1.414 176.401 174.900 0.146 0.000 1.140 310 G CA 1.985 47.166 45.100 0.136 0.000 0.775 310 G HN 0.945 nan 8.290 nan 0.000 0.545 311 Y N 1.785 122.123 120.300 0.063 0.000 2.114 311 Y HA -0.007 4.542 4.550 -0.000 0.000 0.284 311 Y C 2.969 178.908 175.900 0.066 0.000 1.143 311 Y CA 1.784 59.915 58.100 0.051 0.000 1.135 311 Y CB -0.263 38.218 38.460 0.034 0.000 0.980 311 Y HN 0.234 nan 8.280 nan 0.000 0.499 312 A N -0.040 122.959 122.820 0.298 0.000 1.933 312 A HA -0.247 4.073 4.320 0.000 0.000 0.218 312 A C 2.041 179.679 177.584 0.090 0.000 1.175 312 A CA 1.885 54.037 52.037 0.192 0.000 0.628 312 A CB -0.739 18.398 19.000 0.228 0.000 0.814 312 A HN 0.683 nan 8.150 nan 0.000 0.444 313 Q N -0.695 119.166 119.800 0.101 0.000 2.291 313 Q HA -0.182 4.158 4.340 0.000 0.000 0.205 313 Q C 2.082 178.087 176.000 0.009 0.000 0.970 313 Q CA 1.241 57.082 55.803 0.063 0.000 0.876 313 Q CB -0.161 28.627 28.738 0.084 0.000 0.935 313 Q HN 0.765 nan 8.270 nan 0.000 0.455 314 Q N 0.281 120.066 119.800 -0.025 0.000 2.234 314 Q HA -0.148 4.192 4.340 0.000 0.000 0.206 314 Q C 1.289 177.249 176.000 -0.067 0.000 0.980 314 Q CA 0.806 56.569 55.803 -0.066 0.000 0.869 314 Q CB 0.159 28.814 28.738 -0.138 0.000 0.912 314 Q HN 0.145 nan 8.270 nan 0.000 0.436 315 K N 0.654 121.017 120.400 -0.061 0.000 2.525 315 K HA -0.056 4.264 4.320 0.000 0.000 0.192 315 K C 1.412 177.959 176.600 -0.088 0.000 1.029 315 K CA 0.431 56.680 56.287 -0.062 0.000 1.029 315 K CB -0.005 32.472 32.500 -0.038 0.000 0.814 315 K HN 0.178 nan 8.250 nan 0.000 0.503 316 K N 2.142 122.499 120.400 -0.072 0.000 2.152 316 K HA -0.161 4.159 4.320 0.000 0.000 0.206 316 K C 1.954 178.499 176.600 -0.091 0.000 1.048 316 K CA 1.147 57.379 56.287 -0.092 0.000 0.933 316 K CB 0.076 32.550 32.500 -0.044 0.000 0.721 316 K HN 0.164 nan 8.250 nan 0.000 0.447 317 R N 0.540 121.003 120.500 -0.062 0.000 2.285 317 R HA -0.070 4.270 4.340 0.000 0.000 0.213 317 R C 1.518 177.789 176.300 -0.048 0.000 1.068 317 R CA 0.872 56.945 56.100 -0.045 0.000 1.004 317 R CB -0.289 29.994 30.300 -0.029 0.000 0.873 317 R HN 0.233 nan 8.270 nan 0.000 0.467 318 L N 0.798 121.978 121.223 -0.071 0.000 2.558 318 L HA 0.290 4.630 4.340 0.000 0.000 0.225 318 L C 0.631 177.439 176.870 -0.103 0.000 1.128 318 L CA 0.153 54.956 54.840 -0.061 0.000 0.868 318 L CB 0.081 42.110 42.059 -0.051 0.000 1.006 318 L HN 0.105 nan 8.230 nan 0.000 0.454 319 I N -0.569 119.900 120.570 -0.168 0.000 2.474 319 I HA 0.162 4.332 4.170 0.000 0.000 0.294 319 I C -0.342 175.723 176.117 -0.086 0.000 1.005 319 I CA -0.646 60.503 61.300 -0.252 0.000 1.113 319 I CB 2.011 39.662 38.000 -0.582 0.000 1.289 319 I HN -0.181 nan 8.210 nan 0.000 0.436 320 D N 5.382 125.804 120.400 0.036 0.000 2.374 320 D HA 0.240 4.880 4.640 0.000 0.000 0.240 320 D C 0.663 177.011 176.300 0.079 0.000 1.229 320 D CA -0.102 53.935 54.000 0.061 0.000 0.895 320 D CB 1.509 42.358 40.800 0.081 0.000 1.046 320 D HN 0.652 nan 8.370 nan 0.000 0.498 321 A N 4.296 127.133 122.820 0.028 0.000 2.238 321 A HA -0.044 4.276 4.320 0.000 0.000 0.208 321 A C 1.670 179.271 177.584 0.027 0.000 1.177 321 A CA 0.100 52.161 52.037 0.040 0.000 0.804 321 A CB -0.065 18.945 19.000 0.016 0.000 0.823 321 A HN 0.451 nan 8.150 nan 0.000 0.482 322 N N 0.203 118.905 118.700 0.002 0.000 2.220 322 N HA -0.071 4.669 4.740 0.000 0.000 0.182 322 N C 1.810 177.289 175.510 -0.052 0.000 1.023 322 N CA 1.297 54.336 53.050 -0.019 0.000 0.856 322 N CB -0.331 38.140 38.487 -0.026 0.000 0.997 322 N HN 0.643 nan 8.380 nan 0.000 0.429 323 R N -0.127 120.302 120.500 -0.118 0.000 2.075 323 R HA 0.009 4.349 4.340 0.000 0.000 0.226 323 R C 0.138 176.250 176.300 -0.312 0.000 1.114 323 R CA 0.841 56.776 56.100 -0.275 0.000 0.972 323 R CB 0.162 30.192 30.300 -0.451 0.000 0.869 323 R HN 0.265 nan 8.270 nan 0.000 0.437 324 H N -0.849 118.277 119.070 0.094 0.000 2.615 324 H HA 0.342 4.898 4.556 -0.000 0.000 0.346 324 H C -0.831 174.577 175.328 0.134 0.000 1.200 324 H CA -0.813 55.331 56.048 0.159 0.000 1.264 324 H CB 1.771 31.721 29.762 0.313 0.000 1.699 324 H HN -0.136 nan 8.280 nan 0.000 0.567 325 V N 2.028 122.125 119.914 0.306 0.000 2.417 325 V HA 0.206 4.326 4.120 0.000 0.000 0.291 325 V C -0.073 176.159 176.094 0.229 0.000 1.024 325 V CA -0.687 61.729 62.300 0.193 0.000 0.861 325 V CB 1.689 33.592 31.823 0.134 0.000 0.985 325 V HN 0.376 nan 8.190 nan 0.000 0.436 326 V N 6.705 126.713 119.914 0.157 0.000 2.409 326 V HA 0.484 4.604 4.120 0.000 0.000 0.291 326 V C -0.326 175.829 176.094 0.102 0.000 1.020 326 V CA -0.441 61.944 62.300 0.141 0.000 0.848 326 V CB 1.623 33.487 31.823 0.069 0.000 0.990 326 V HN 0.639 nan 8.190 nan 0.000 0.430 327 L N 5.273 126.562 121.223 0.109 0.000 2.294 327 L HA 0.564 4.904 4.340 0.000 0.000 0.283 327 L C 0.047 176.991 176.870 0.124 0.000 1.015 327 L CA -0.314 54.579 54.840 0.089 0.000 0.831 327 L CB 1.472 43.573 42.059 0.070 0.000 1.217 327 L HN 0.617 nan 8.230 nan 0.000 0.420 328 E N 3.080 123.346 120.200 0.110 0.000 2.204 328 E HA 0.485 4.836 4.350 0.000 0.000 0.276 328 E C -1.082 175.605 176.600 0.144 0.000 0.974 328 E CA -0.601 55.888 56.400 0.148 0.000 0.815 328 E CB 1.907 31.669 29.700 0.104 0.000 1.119 328 E HN 0.517 nan 8.360 nan 0.000 0.393 329 N N -0.115 118.720 118.700 0.225 0.000 2.610 329 N HA 0.249 4.989 4.740 0.000 0.000 0.264 329 N C -1.305 174.313 175.510 0.181 0.000 1.348 329 N CA -0.702 52.429 53.050 0.135 0.000 0.819 329 N CB 1.658 40.156 38.487 0.018 0.000 1.521 329 N HN 0.087 nan 8.380 nan 0.000 0.497 330 V N 1.244 121.233 119.914 0.126 0.000 2.901 330 V HA -0.071 4.049 4.120 0.000 0.000 0.307 330 V C 0.606 176.795 176.094 0.158 0.000 1.084 330 V CA 0.354 62.739 62.300 0.142 0.000 1.184 330 V CB 0.117 31.997 31.823 0.096 0.000 0.941 330 V HN 0.625 nan 8.190 nan 0.000 0.493 331 H N 7.174 126.254 119.070 0.016 0.000 2.629 331 H HA 0.153 4.708 4.556 -0.000 0.000 0.357 331 H C -1.669 173.394 175.328 -0.442 0.000 1.121 331 H CA -1.736 54.245 56.048 -0.111 0.000 1.406 331 H CB 1.941 31.706 29.762 0.005 0.000 1.456 331 H HN 0.375 nan 8.280 nan 0.000 0.579 332 P HA -0.069 nan 4.420 nan 0.000 0.245 332 P C 0.346 177.287 177.300 -0.600 0.000 1.212 332 P CA 0.166 62.335 63.100 -1.552 0.000 0.774 332 P CB 0.035 30.410 31.700 -2.209 0.000 0.999 333 S N 0.365 116.053 115.700 -0.019 0.000 2.584 333 S HA 0.151 4.621 4.470 0.000 0.000 0.270 333 S C -1.417 173.168 174.600 -0.025 0.000 1.346 333 S CA -0.832 57.403 58.200 0.059 0.000 1.018 333 S CB 0.196 63.492 63.200 0.160 0.000 0.899 333 S HN -0.131 nan 8.310 nan 0.000 0.542 334 P HA -0.089 nan 4.420 nan 0.000 0.218 334 P C 1.596 178.913 177.300 0.029 0.000 1.148 334 P CA 0.577 63.694 63.100 0.029 0.000 0.822 334 P CB -0.090 31.643 31.700 0.054 0.000 0.784 335 L N -0.239 120.996 121.223 0.019 0.000 2.127 335 L HA -0.158 4.182 4.340 0.000 0.000 0.211 335 L C 1.805 178.687 176.870 0.020 0.000 1.089 335 L CA 2.327 57.177 54.840 0.018 0.000 0.757 335 L CB -0.682 41.378 42.059 0.002 0.000 0.899 335 L HN 0.018 nan 8.230 nan 0.000 0.434 336 S N -2.496 113.211 115.700 0.012 0.000 2.549 336 S HA 0.329 4.799 4.470 0.000 0.000 0.225 336 S C 1.928 176.526 174.600 -0.003 0.000 1.039 336 S CA 0.083 58.294 58.200 0.018 0.000 0.942 336 S CB -0.158 63.064 63.200 0.037 0.000 0.881 336 S HN 0.340 nan 8.310 nan 0.000 0.503 337 A N 3.329 126.110 122.820 -0.065 0.000 1.940 337 A HA -0.093 4.228 4.320 0.000 0.000 0.219 337 A C 1.956 179.464 177.584 -0.127 0.000 1.176 337 A CA 1.591 53.493 52.037 -0.225 0.000 0.631 337 A CB -0.722 18.011 19.000 -0.445 0.000 0.814 337 A HN 0.541 nan 8.150 nan 0.000 0.446 338 N N -0.522 118.230 118.700 0.086 0.000 2.461 338 N HA 0.006 4.746 4.740 0.000 0.000 0.188 338 N C 0.549 176.131 175.510 0.120 0.000 1.134 338 N CA 0.302 53.479 53.050 0.211 0.000 0.878 338 N CB 0.038 38.658 38.487 0.222 0.000 0.972 338 N HN 0.507 nan 8.380 nan 0.000 0.456 339 R N -0.372 120.169 120.500 0.068 0.000 2.609 339 R HA 0.245 4.585 4.340 0.000 0.000 0.326 339 R C 0.669 176.992 176.300 0.038 0.000 1.090 339 R CA 0.027 56.157 56.100 0.051 0.000 1.072 339 R CB 0.618 30.944 30.300 0.044 0.000 1.330 339 R HN 0.073 nan 8.270 nan 0.000 0.572 340 G N -0.348 108.472 108.800 0.033 0.000 2.613 340 G HA2 -0.191 3.769 3.960 0.000 0.000 0.199 340 G HA3 -0.191 3.769 3.960 0.000 0.000 0.199 340 G C 0.435 175.307 174.900 -0.047 0.000 0.991 340 G CA -0.386 44.714 45.100 0.000 0.000 0.756 340 G HN 0.405 nan 8.290 nan 0.000 0.515 341 W N 1.484 122.626 121.300 -0.264 0.000 2.452 341 W HA 0.287 4.947 4.660 0.001 0.000 0.313 341 W C 0.105 176.414 176.519 -0.350 0.000 1.176 341 W CA 0.607 57.695 57.345 -0.428 0.000 1.350 341 W CB -0.097 28.974 29.460 -0.648 0.000 1.148 341 W HN -0.007 nan 8.180 nan 0.000 0.498 342 F N 1.448 121.306 119.950 -0.153 0.000 2.578 342 F HA 0.317 4.843 4.527 -0.001 0.000 0.376 342 F C 1.547 177.195 175.800 -0.253 0.000 1.085 342 F CA 1.667 59.524 58.000 -0.237 0.000 1.260 342 F CB -0.126 38.849 39.000 -0.041 0.000 1.095 342 F HN 0.347 nan 8.300 nan 0.000 0.573 343 G N 0.839 109.575 108.800 -0.106 0.000 2.176 343 G HA2 -0.364 3.597 3.960 0.000 0.000 0.253 343 G HA3 -0.364 3.597 3.960 0.000 0.000 0.253 343 G C 1.171 175.934 174.900 -0.230 0.000 0.979 343 G CA 0.225 45.243 45.100 -0.136 0.000 0.641 343 G HN 1.086 nan 8.290 nan 0.000 0.530 344 C N 0.030 119.093 119.300 -0.395 0.000 2.456 344 C HA 0.431 4.891 4.460 0.000 0.000 0.279 344 C C 1.806 176.565 174.990 -0.386 0.000 1.427 344 C CA 0.888 59.665 59.018 -0.401 0.000 1.778 344 C CB -0.864 26.555 27.740 -0.535 0.000 1.842 344 C HN 0.795 nan 8.230 nan 0.000 0.531 345 R N -0.481 119.769 120.500 -0.416 0.000 3.416 345 R HA -0.213 4.128 4.340 0.000 0.000 0.263 345 R C 1.120 177.205 176.300 -0.360 0.000 1.053 345 R CA 0.637 56.550 56.100 -0.310 0.000 0.705 345 R CB -2.732 27.459 30.300 -0.182 0.000 1.124 345 R HN 0.957 nan 8.270 nan 0.000 0.444 346 C N -2.677 116.255 119.300 -0.613 0.000 2.448 346 C HA 0.025 4.485 4.460 0.000 0.000 0.280 346 C C 2.141 176.778 174.990 -0.589 0.000 1.398 346 C CA 0.180 58.842 59.018 -0.592 0.000 1.774 346 C CB -0.767 26.574 27.740 -0.666 0.000 1.888 346 C HN 0.461 nan 8.230 nan 0.000 0.519 347 F N 3.252 122.962 119.950 -0.399 0.000 2.187 347 F HA -0.012 4.516 4.527 0.001 0.000 0.295 347 F C 2.936 178.643 175.800 -0.155 0.000 1.091 347 F CA 1.599 59.260 58.000 -0.564 0.000 1.308 347 F CB -0.923 37.302 39.000 -1.291 0.000 1.030 347 F HN 0.300 nan 8.300 nan 0.000 0.487 348 S N 0.611 116.313 115.700 0.003 0.000 2.368 348 S HA -0.158 4.312 4.470 0.000 0.000 0.225 348 S C 2.239 176.865 174.600 0.044 0.000 1.030 348 S CA 0.844 59.080 58.200 0.059 0.000 0.999 348 S CB -1.055 62.150 63.200 0.010 0.000 0.844 348 S HN 0.251 nan 8.310 nan 0.000 0.459 349 A N 0.853 123.657 122.820 -0.026 0.000 1.933 349 A HA -0.098 4.222 4.320 0.000 0.000 0.218 349 A C 2.583 180.185 177.584 0.030 0.000 1.175 349 A CA 1.443 53.470 52.037 -0.016 0.000 0.628 349 A CB -1.632 17.333 19.000 -0.059 0.000 0.814 349 A HN 0.750 nan 8.150 nan 0.000 0.444 350 C N -0.076 119.257 119.300 0.055 0.000 2.413 350 C HA -0.127 4.333 4.460 0.000 0.000 0.276 350 C C 2.566 177.633 174.990 0.129 0.000 1.236 350 C CA 1.631 60.718 59.018 0.114 0.000 1.735 350 C CB -1.533 26.345 27.740 0.230 0.000 2.031 350 C HN 0.639 nan 8.230 nan 0.000 0.474 351 N N 0.765 119.578 118.700 0.189 0.000 2.188 351 N HA -0.079 4.661 4.740 0.000 0.000 0.184 351 N C 1.732 177.292 175.510 0.083 0.000 1.018 351 N CA 1.315 54.447 53.050 0.137 0.000 0.858 351 N CB -0.526 38.077 38.487 0.193 0.000 0.989 351 N HN 0.673 nan 8.380 nan 0.000 0.426 352 E N 0.569 120.813 120.200 0.073 0.000 2.077 352 E HA -0.128 4.222 4.350 0.000 0.000 0.193 352 E C 1.895 178.524 176.600 0.048 0.000 0.989 352 E CA 1.134 57.564 56.400 0.050 0.000 0.800 352 E CB -0.099 29.623 29.700 0.036 0.000 0.746 352 E HN 0.352 nan 8.360 nan 0.000 0.452 353 A N 1.348 124.199 122.820 0.052 0.000 1.877 353 A HA -0.178 4.142 4.320 0.000 0.000 0.216 353 A C 2.229 179.856 177.584 0.071 0.000 1.186 353 A CA 1.137 53.208 52.037 0.056 0.000 0.620 353 A CB -0.728 18.306 19.000 0.057 0.000 0.822 353 A HN 0.129 nan 8.150 nan 0.000 0.443 354 L N -1.119 120.145 121.223 0.068 0.000 2.042 354 L HA -0.269 4.071 4.340 0.000 0.000 0.210 354 L C 2.929 179.865 176.870 0.110 0.000 1.076 354 L CA 1.953 56.851 54.840 0.097 0.000 0.749 354 L CB -0.531 41.544 42.059 0.027 0.000 0.893 354 L HN 0.564 nan 8.230 nan 0.000 0.432 355 Q N 0.036 119.878 119.800 0.069 0.000 2.084 355 Q HA -0.207 4.133 4.340 0.000 0.000 0.202 355 Q C 2.346 178.369 176.000 0.039 0.000 0.978 355 Q CA 1.494 57.328 55.803 0.051 0.000 0.844 355 Q CB 0.091 28.853 28.738 0.041 0.000 0.898 355 Q HN 0.375 nan 8.270 nan 0.000 0.426 356 R N -0.518 120.005 120.500 0.039 0.000 2.152 356 R HA -0.062 4.278 4.340 0.000 0.000 0.232 356 R C 1.908 178.219 176.300 0.018 0.000 1.117 356 R CA 1.169 57.284 56.100 0.026 0.000 0.981 356 R CB -0.134 30.182 30.300 0.027 0.000 0.870 356 R HN 0.341 nan 8.270 nan 0.000 0.451 357 M N 0.249 119.870 119.600 0.036 0.000 2.618 357 M HA 0.024 4.504 4.480 0.000 0.000 0.240 357 M C 0.083 176.340 176.300 -0.073 0.000 1.123 357 M CA 0.486 55.791 55.300 0.009 0.000 1.060 357 M CB 0.467 33.133 32.600 0.111 0.000 1.535 357 M HN 0.028 nan 8.290 nan 0.000 0.507 358 S N -0.065 115.614 115.700 -0.035 0.000 3.490 358 S HA -0.150 4.320 4.470 0.000 0.000 0.301 358 S C 0.016 174.573 174.600 -0.072 0.000 1.233 358 S CA 0.354 58.520 58.200 -0.056 0.000 0.914 358 S CB -1.673 61.478 63.200 -0.081 0.000 1.047 358 S HN 0.582 nan 8.310 nan 0.000 0.602 359 H N -0.195 118.864 119.070 -0.019 0.000 2.508 359 H HA 0.438 4.994 4.556 -0.000 0.000 0.358 359 H C 0.391 175.700 175.328 -0.031 0.000 1.212 359 H CA -0.339 55.691 56.048 -0.031 0.000 1.356 359 H CB 0.698 30.435 29.762 -0.041 0.000 1.525 359 H HN 0.279 nan 8.280 nan 0.000 0.578 360 L N 4.093 125.395 121.223 0.131 0.000 2.360 360 L HA 0.237 4.577 4.340 0.000 0.000 0.276 360 L C -2.291 174.575 176.870 -0.006 0.000 1.121 360 L CA -1.151 53.714 54.840 0.041 0.000 0.845 360 L CB 0.425 42.494 42.059 0.017 0.000 1.143 360 L HN 0.387 nan 8.230 nan 0.000 0.452 361 P HA 0.098 nan 4.420 nan 0.000 0.271 361 P C -0.403 176.789 177.300 -0.180 0.000 1.233 361 P CA -0.272 62.785 63.100 -0.072 0.000 0.789 361 P CB 0.377 32.065 31.700 -0.019 0.000 0.951 362 M N 1.329 120.708 119.600 -0.369 0.000 2.245 362 M HA 0.022 4.502 4.480 0.000 0.000 0.344 362 M C 0.397 176.348 176.300 -0.582 0.000 1.170 362 M CA 0.443 55.326 55.300 -0.695 0.000 1.135 362 M CB -0.738 30.924 32.600 -1.563 0.000 1.574 362 M HN 0.427 nan 8.290 nan 0.000 0.452 363 H N 1.770 120.555 119.070 -0.474 0.000 2.724 363 H HA 0.203 4.760 4.556 0.000 0.000 0.278 363 H C -0.100 175.163 175.328 -0.108 0.000 1.159 363 H CA -0.025 55.907 56.048 -0.194 0.000 1.254 363 H CB 0.278 30.009 29.762 -0.052 0.000 1.412 363 H HN 0.643 nan 8.280 nan 0.000 0.488 364 W N 2.226 123.461 121.300 -0.108 0.000 2.518 364 W HA -0.046 4.614 4.660 0.000 0.000 0.273 364 W C 0.894 177.661 176.519 0.414 0.000 1.247 364 W CA -0.216 57.147 57.345 0.030 0.000 1.288 364 W CB 0.194 29.555 29.460 -0.164 0.000 1.107 364 W HN 0.492 nan 8.180 nan 0.000 0.586 365 Q N 1.653 121.611 119.800 0.263 0.000 2.286 365 Q HA 0.156 4.496 4.340 0.000 0.000 0.290 365 Q C -0.659 175.531 176.000 0.316 0.000 1.049 365 Q CA 0.757 56.687 55.803 0.212 0.000 0.923 365 Q CB 0.308 29.002 28.738 -0.073 0.000 1.183 365 Q HN 0.169 nan 8.270 nan 0.000 0.383 366 L N 6.760 128.107 121.223 0.206 0.000 2.344 366 L HA 0.581 4.921 4.340 0.000 0.000 0.272 366 L C -1.908 175.018 176.870 0.094 0.000 1.035 366 L CA -2.412 52.523 54.840 0.158 0.000 0.807 366 L CB 1.424 43.504 42.059 0.036 0.000 1.237 366 L HN 0.709 nan 8.230 nan 0.000 0.442 367 P HA 0.009 nan 4.420 nan 0.000 0.265 367 P C 0.422 177.836 177.300 0.189 0.000 1.193 367 P CA 0.101 63.291 63.100 0.149 0.000 0.765 367 P CB 0.842 32.634 31.700 0.152 0.000 0.823 368 L N 1.221 122.499 121.223 0.091 0.000 2.240 368 L HA 0.019 4.359 4.340 0.000 0.000 0.211 368 L C 1.034 178.002 176.870 0.162 0.000 1.106 368 L CA 0.829 55.712 54.840 0.071 0.000 0.793 368 L CB -0.432 41.618 42.059 -0.014 0.000 0.927 368 L HN 0.368 nan 8.230 nan 0.000 0.446 369 N N 1.067 119.830 118.700 0.105 0.000 2.426 369 N HA 0.367 5.107 4.740 0.000 0.000 0.275 369 N C -0.241 175.236 175.510 -0.056 0.000 1.019 369 N CA -0.032 53.041 53.050 0.040 0.000 0.941 369 N CB 1.677 40.164 38.487 -0.000 0.000 1.123 369 N HN -0.010 nan 8.380 nan 0.000 0.486 370 A N 3.313 125.952 122.820 -0.302 0.000 2.340 370 A HA 0.561 4.881 4.320 0.000 0.000 0.268 370 A C -1.648 175.762 177.584 -0.290 0.000 1.100 370 A CA -0.797 50.940 52.037 -0.500 0.000 0.803 370 A CB -0.296 18.130 19.000 -0.956 0.000 1.043 370 A HN 0.470 nan 8.150 nan 0.000 0.488 371 P HA 0.000 nan 4.420 nan 0.000 0.216 371 P CA 0.000 62.984 63.100 -0.193 0.000 0.800 371 P CB 0.000 31.648 31.700 -0.086 0.000 0.726