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 2r65_1_E DATA FIRST_RESID 160 DATA SEQUENCE INAEKPNVRF KDMAGNEEAK EEVVEIVDFL KYPERYANLG AKIPKGVLLV DATA SEQUENCE GPPGTGKTLL AKAVAGEAHV PFFSMGGSSF IEMFVGLGAS RVRDLFETAK DATA SEQUENCE KQAPSIIFID EIDAIGKXXX XXXXXXXNDE REQTLNQLLA EMDGFGSENA DATA SEQUENCE PVIVLAATNR PEILDPALMR PGRFDRQVLV DKPDFNGRVE ILKVHIKGVK DATA SEQUENCE LANDVNLQEV AKLTAGLAGA DLANIINEAA LLAGRNNQKE VRQQHLKEAV DATA SEQUENCE ERGIAGLEK 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 160 I HA 0.000 nan 4.170 nan 0.000 0.288 160 I C 0.000 176.132 176.117 0.026 0.000 1.063 160 I CA 0.000 61.304 61.300 0.007 0.000 1.566 160 I CB 0.000 37.991 38.000 -0.014 0.000 1.214 161 N N 2.018 120.739 118.700 0.034 0.000 2.487 161 N HA 0.741 5.481 4.740 -0.000 0.000 0.292 161 N C -0.632 175.036 175.510 0.264 0.000 1.108 161 N CA 0.382 53.498 53.050 0.110 0.000 0.956 161 N CB 1.921 40.393 38.487 -0.026 0.000 1.176 161 N HN 0.611 nan 8.380 nan 0.000 0.484 162 A N 0.865 123.874 122.820 0.314 0.000 2.481 162 A HA 0.590 4.910 4.320 -0.000 0.000 0.295 162 A C -1.525 176.082 177.584 0.038 0.000 0.986 162 A CA -0.654 51.519 52.037 0.227 0.000 0.617 162 A CB 1.216 20.301 19.000 0.141 0.000 1.364 162 A HN 0.666 nan 8.150 nan 0.000 0.452 163 E N -0.646 119.501 120.200 -0.089 0.000 3.260 163 E HA 0.341 4.691 4.350 -0.000 0.000 0.328 163 E C -2.047 174.503 176.600 -0.082 0.000 1.112 163 E CA -0.442 55.929 56.400 -0.049 0.000 0.898 163 E CB 0.711 30.427 29.700 0.028 0.000 1.191 163 E HN 0.473 nan 8.360 nan 0.000 0.480 164 K N 3.949 124.320 120.400 -0.047 0.000 2.425 164 K HA 0.441 4.761 4.320 -0.000 0.000 0.259 164 K C -2.506 174.055 176.600 -0.066 0.000 0.978 164 K CA -1.621 54.630 56.287 -0.059 0.000 0.883 164 K CB 1.365 33.843 32.500 -0.036 0.000 1.110 164 K HN 0.207 nan 8.250 nan 0.000 0.436 165 P HA 0.153 nan 4.420 nan 0.000 0.282 165 P C -0.252 176.960 177.300 -0.146 0.000 1.249 165 P CA -0.516 62.491 63.100 -0.155 0.000 0.806 165 P CB 1.043 32.558 31.700 -0.309 0.000 0.984 166 N N 1.062 119.694 118.700 -0.114 0.000 2.416 166 N HA -0.040 4.700 4.740 -0.000 0.000 0.177 166 N C 0.288 175.721 175.510 -0.129 0.000 1.036 166 N CA 0.302 53.296 53.050 -0.095 0.000 0.901 166 N CB -0.844 37.608 38.487 -0.059 0.000 0.976 166 N HN 0.132 nan 8.380 nan 0.000 0.444 167 V N 1.591 121.403 119.914 -0.169 0.000 2.720 167 V HA -0.032 4.088 4.120 -0.000 0.000 0.307 167 V C 0.556 176.506 176.094 -0.241 0.000 1.071 167 V CA 0.494 62.678 62.300 -0.193 0.000 1.199 167 V CB 0.016 31.706 31.823 -0.221 0.000 0.900 167 V HN 0.350 nan 8.190 nan 0.000 0.494 168 R N 2.385 122.770 120.500 -0.193 0.000 2.888 168 R HA 0.452 4.792 4.340 -0.000 0.000 0.264 168 R C 0.545 176.774 176.300 -0.118 0.000 1.045 168 R CA -0.645 55.335 56.100 -0.201 0.000 0.962 168 R CB 0.873 31.103 30.300 -0.116 0.000 1.210 168 R HN 0.542 nan 8.270 nan 0.000 0.479 169 F N 0.955 120.837 119.950 -0.114 0.000 2.202 169 F HA -0.229 4.298 4.527 -0.000 0.000 0.301 169 F C 1.763 177.516 175.800 -0.079 0.000 1.082 169 F CA 1.367 59.311 58.000 -0.094 0.000 1.313 169 F CB 0.260 39.212 39.000 -0.080 0.000 1.024 169 F HN 0.391 nan 8.300 nan 0.000 0.495 170 K N -0.409 120.066 120.400 0.125 0.000 2.569 170 K HA -0.027 4.293 4.320 -0.000 0.000 0.193 170 K C 0.442 177.037 176.600 -0.009 0.000 1.026 170 K CA 0.886 57.197 56.287 0.040 0.000 1.093 170 K CB -0.440 32.070 32.500 0.016 0.000 0.849 170 K HN 0.191 nan 8.250 nan 0.000 0.509 171 D N -0.166 120.226 120.400 -0.013 0.000 2.355 171 D HA 0.012 4.652 4.640 -0.000 0.000 0.206 171 D C 0.113 176.389 176.300 -0.039 0.000 1.010 171 D CA 0.279 54.242 54.000 -0.062 0.000 0.875 171 D CB 0.256 41.011 40.800 -0.076 0.000 0.966 171 D HN 0.212 nan 8.370 nan 0.000 0.512 172 M N 2.197 121.808 119.600 0.018 0.000 2.923 172 M HA 0.283 4.763 4.480 -0.000 0.000 0.311 172 M C -0.568 175.750 176.300 0.030 0.000 1.376 172 M CA -0.473 54.853 55.300 0.043 0.000 1.468 172 M CB -0.335 32.332 32.600 0.111 0.000 1.151 172 M HN -0.205 nan 8.290 nan 0.000 0.517 173 A N 2.608 125.433 122.820 0.009 0.000 2.462 173 A HA 0.577 4.897 4.320 -0.000 0.000 0.243 173 A C 1.018 178.606 177.584 0.007 0.000 1.076 173 A CA 0.674 52.709 52.037 -0.002 0.000 0.773 173 A CB -0.295 18.698 19.000 -0.011 0.000 1.010 173 A HN 1.133 nan 8.150 nan 0.000 0.493 174 G N 1.986 110.784 108.800 -0.004 0.000 2.645 174 G HA2 -0.138 3.822 3.960 -0.000 0.000 0.239 174 G HA3 -0.138 3.822 3.960 -0.000 0.000 0.239 174 G C 0.165 175.062 174.900 -0.006 0.000 1.331 174 G CA 0.090 45.188 45.100 -0.003 0.000 0.890 174 G HN 1.923 nan 8.290 nan 0.000 0.572 175 N N 0.250 118.949 118.700 -0.001 0.000 2.725 175 N HA -0.160 4.580 4.740 -0.000 0.000 0.251 175 N C 1.485 176.978 175.510 -0.029 0.000 1.031 175 N CA 1.575 54.623 53.050 -0.003 0.000 0.720 175 N CB -0.614 37.881 38.487 0.013 0.000 0.930 175 N HN 0.986 nan 8.380 nan 0.000 0.543 176 E N 0.317 120.495 120.200 -0.037 0.000 2.338 176 E HA -0.206 4.144 4.350 -0.000 0.000 0.197 176 E C 1.454 178.018 176.600 -0.060 0.000 1.007 176 E CA 1.050 57.412 56.400 -0.063 0.000 0.849 176 E CB 0.072 29.740 29.700 -0.052 0.000 0.774 176 E HN 0.678 nan 8.360 nan 0.000 0.506 177 E N 2.458 122.638 120.200 -0.033 0.000 2.028 177 E HA -0.143 4.207 4.350 -0.000 0.000 0.191 177 E C 1.982 178.568 176.600 -0.023 0.000 0.988 177 E CA 1.523 57.910 56.400 -0.022 0.000 0.799 177 E CB -0.503 29.195 29.700 -0.003 0.000 0.755 177 E HN 0.214 nan 8.360 nan 0.000 0.447 178 A N 1.647 124.458 122.820 -0.014 0.000 1.897 178 A HA -0.073 4.247 4.320 -0.000 0.000 0.215 178 A C 1.975 179.541 177.584 -0.031 0.000 1.181 178 A CA 1.240 53.281 52.037 0.005 0.000 0.620 178 A CB -0.456 18.565 19.000 0.035 0.000 0.821 178 A HN 0.238 nan 8.150 nan 0.000 0.443 179 K N 0.052 120.382 120.400 -0.115 0.000 2.942 179 K HA 0.018 4.338 4.320 -0.000 0.000 0.249 179 K C 0.465 176.881 176.600 -0.308 0.000 0.911 179 K CA 0.762 56.835 56.287 -0.356 0.000 1.100 179 K CB -0.143 32.084 32.500 -0.454 0.000 0.952 179 K HN 0.663 nan 8.250 nan 0.000 0.467 180 E N -1.155 118.957 120.200 -0.147 0.000 2.820 180 E HA -0.028 4.322 4.350 -0.000 0.000 0.210 180 E C 0.939 177.520 176.600 -0.032 0.000 1.005 180 E CA -0.225 56.117 56.400 -0.096 0.000 1.678 180 E CB 0.353 30.009 29.700 -0.073 0.000 2.013 180 E HN 0.109 nan 8.360 nan 0.000 1.011 181 E N 0.883 121.080 120.200 -0.005 0.000 2.068 181 E HA -0.200 4.150 4.350 -0.000 0.000 0.207 181 E C 2.212 178.850 176.600 0.063 0.000 1.032 181 E CA 2.255 58.676 56.400 0.035 0.000 0.839 181 E CB -0.181 29.547 29.700 0.047 0.000 0.758 181 E HN 0.283 nan 8.360 nan 0.000 0.457 182 V N -1.633 118.328 119.914 0.080 0.000 3.129 182 V HA -0.030 4.090 4.120 -0.000 0.000 0.259 182 V C 2.349 178.534 176.094 0.150 0.000 1.116 182 V CA 0.598 62.984 62.300 0.144 0.000 1.127 182 V CB -0.255 31.699 31.823 0.218 0.000 0.742 182 V HN -0.050 nan 8.190 nan 0.000 0.474 183 V N 1.206 121.162 119.914 0.070 0.000 2.490 183 V HA -0.224 3.896 4.120 -0.000 0.000 0.250 183 V C 2.685 178.802 176.094 0.040 0.000 1.061 183 V CA 2.377 64.712 62.300 0.058 0.000 1.064 183 V CB -0.853 30.940 31.823 -0.050 0.000 0.670 183 V HN 0.615 nan 8.190 nan 0.000 0.461 184 E N 0.031 120.236 120.200 0.009 0.000 2.153 184 E HA -0.190 4.160 4.350 -0.000 0.000 0.194 184 E C 2.080 178.625 176.600 -0.091 0.000 0.988 184 E CA 1.354 57.700 56.400 -0.091 0.000 0.811 184 E CB -0.192 29.477 29.700 -0.052 0.000 0.746 184 E HN 0.591 nan 8.360 nan 0.000 0.466 185 I N 0.258 120.909 120.570 0.136 0.000 2.333 185 I HA -0.207 3.963 4.170 -0.000 0.000 0.246 185 I C 2.191 178.400 176.117 0.153 0.000 1.106 185 I CA 0.530 61.985 61.300 0.257 0.000 1.411 185 I CB -0.088 38.027 38.000 0.191 0.000 1.082 185 I HN -0.025 nan 8.210 nan 0.000 0.420 186 V N 0.598 120.577 119.914 0.108 0.000 2.287 186 V HA -0.340 3.780 4.120 -0.000 0.000 0.248 186 V C 1.995 178.120 176.094 0.053 0.000 1.053 186 V CA 2.300 64.643 62.300 0.073 0.000 1.027 186 V CB -0.773 31.118 31.823 0.114 0.000 0.646 186 V HN 0.384 nan 8.190 nan 0.000 0.447 187 D N -0.569 119.869 120.400 0.063 0.000 2.144 187 D HA -0.143 4.497 4.640 -0.000 0.000 0.199 187 D C 1.758 178.095 176.300 0.062 0.000 0.984 187 D CA 0.876 54.956 54.000 0.132 0.000 0.834 187 D CB -0.201 40.727 40.800 0.215 0.000 0.955 187 D HN 0.346 nan 8.370 nan 0.000 0.465 188 F N -0.081 119.753 119.950 -0.194 0.000 2.529 188 F HA -0.036 4.491 4.527 -0.000 0.000 0.297 188 F C 1.566 177.268 175.800 -0.163 0.000 1.114 188 F CA 0.867 58.639 58.000 -0.380 0.000 1.467 188 F CB 0.007 38.825 39.000 -0.302 0.000 1.096 188 F HN 0.079 nan 8.300 nan 0.000 0.586 189 L N -2.607 118.672 121.223 0.092 0.000 2.902 189 L HA 0.084 4.424 4.340 -0.000 0.000 0.254 189 L C 1.976 178.816 176.870 -0.050 0.000 1.115 189 L CA 0.053 54.910 54.840 0.029 0.000 0.947 189 L CB -0.145 41.919 42.059 0.008 0.000 1.369 189 L HN -0.267 nan 8.230 nan 0.000 0.538 190 K N 0.507 120.825 120.400 -0.136 0.000 2.062 190 K HA -0.015 4.305 4.320 -0.000 0.000 0.205 190 K C -0.144 176.037 176.600 -0.698 0.000 1.051 190 K CA 1.433 57.422 56.287 -0.498 0.000 0.941 190 K CB 0.211 32.312 32.500 -0.667 0.000 0.719 190 K HN 0.165 nan 8.250 nan 0.000 0.440 191 Y N -0.360 120.055 120.300 0.192 0.000 2.470 191 Y HA 0.208 4.758 4.550 0.000 0.000 0.352 191 Y C -2.062 174.017 175.900 0.300 0.000 0.967 191 Y CA -1.952 56.274 58.100 0.209 0.000 1.121 191 Y CB 0.902 39.471 38.460 0.182 0.000 1.149 191 Y HN 0.055 nan 8.280 nan 0.000 0.641 192 P HA -0.220 nan 4.420 nan 0.000 0.217 192 P C 0.841 178.310 177.300 0.281 0.000 1.148 192 P CA 1.598 64.857 63.100 0.265 0.000 0.828 192 P CB 0.556 32.340 31.700 0.140 0.000 0.783 193 E N -0.108 120.235 120.200 0.237 0.000 2.108 193 E HA -0.240 4.110 4.350 -0.000 0.000 0.203 193 E C 2.370 179.081 176.600 0.185 0.000 1.022 193 E CA 1.463 57.974 56.400 0.185 0.000 0.823 193 E CB -0.282 29.520 29.700 0.170 0.000 0.744 193 E HN 0.261 nan 8.360 nan 0.000 0.456 194 R N -0.466 120.171 120.500 0.228 0.000 2.056 194 R HA -0.109 4.231 4.340 -0.000 0.000 0.227 194 R C 2.345 178.701 176.300 0.093 0.000 1.149 194 R CA 1.632 57.781 56.100 0.080 0.000 0.937 194 R CB -0.353 29.897 30.300 -0.083 0.000 0.835 194 R HN 0.225 nan 8.270 nan 0.000 0.430 195 Y N 0.111 120.490 120.300 0.133 0.000 2.274 195 Y HA -0.094 4.456 4.550 0.000 0.000 0.290 195 Y C 2.338 178.321 175.900 0.139 0.000 1.145 195 Y CA 0.912 59.103 58.100 0.153 0.000 1.203 195 Y CB -0.525 38.096 38.460 0.269 0.000 0.984 195 Y HN 0.188 nan 8.280 nan 0.000 0.533 196 A N 0.070 123.077 122.820 0.312 0.000 1.969 196 A HA -0.199 4.121 4.320 -0.000 0.000 0.218 196 A C 1.444 179.106 177.584 0.129 0.000 1.169 196 A CA 1.577 53.724 52.037 0.184 0.000 0.635 196 A CB -0.681 18.407 19.000 0.147 0.000 0.810 196 A HN 0.440 nan 8.150 nan 0.000 0.445 197 N N -1.093 117.680 118.700 0.121 0.000 2.920 197 N HA 0.376 5.116 4.740 -0.000 0.000 0.310 197 N C 0.004 175.549 175.510 0.058 0.000 1.384 197 N CA -0.028 53.068 53.050 0.077 0.000 1.083 197 N CB 0.338 38.864 38.487 0.065 0.000 1.389 197 N HN 0.242 nan 8.380 nan 0.000 0.521 198 L N -1.484 119.781 121.223 0.070 0.000 4.413 198 L HA 0.302 4.642 4.340 -0.000 0.000 0.460 198 L C 0.883 177.796 176.870 0.072 0.000 0.873 198 L CA 0.978 55.850 54.840 0.054 0.000 1.906 198 L CB -0.147 41.933 42.059 0.036 0.000 2.273 198 L HN 0.178 nan 8.230 nan 0.000 0.603 199 G N 0.547 109.406 108.800 0.098 0.000 2.144 199 G HA2 0.000 3.960 3.960 -0.000 0.000 0.218 199 G HA3 0.000 3.960 3.960 -0.000 0.000 0.218 199 G C 0.503 175.477 174.900 0.124 0.000 0.988 199 G CA 0.349 45.505 45.100 0.093 0.000 0.659 199 G HN 1.022 nan 8.290 nan 0.000 0.522 200 A N -0.177 122.759 122.820 0.193 0.000 2.511 200 A HA 0.596 4.916 4.320 -0.000 0.000 0.242 200 A C 0.563 178.289 177.584 0.236 0.000 1.069 200 A CA 0.924 53.123 52.037 0.271 0.000 0.763 200 A CB 0.448 19.731 19.000 0.471 0.000 1.001 200 A HN 0.729 nan 8.150 nan 0.000 0.498 201 K N 2.437 122.958 120.400 0.201 0.000 2.262 201 K HA 0.461 4.781 4.320 -0.000 0.000 0.282 201 K C -0.773 175.837 176.600 0.016 0.000 1.066 201 K CA -0.036 56.304 56.287 0.088 0.000 0.901 201 K CB 0.380 32.921 32.500 0.068 0.000 1.089 201 K HN 0.600 nan 8.250 nan 0.000 0.476 202 I N 6.795 127.180 120.570 -0.307 0.000 2.353 202 I HA 0.418 4.588 4.170 -0.000 0.000 0.293 202 I C -2.129 173.687 176.117 -0.501 0.000 0.992 202 I CA -2.415 58.312 61.300 -0.955 0.000 1.268 202 I CB 1.335 38.724 38.000 -1.017 0.000 1.387 202 I HN 0.642 nan 8.210 nan 0.000 0.478 203 P HA 0.256 nan 4.420 nan 0.000 0.293 203 P C -0.648 176.513 177.300 -0.232 0.000 1.300 203 P CA -0.540 62.423 63.100 -0.227 0.000 0.792 203 P CB 0.984 32.620 31.700 -0.107 0.000 0.925 204 K N 1.916 122.194 120.400 -0.203 0.000 2.137 204 K HA 0.115 4.435 4.320 -0.000 0.000 0.202 204 K C 0.957 177.396 176.600 -0.268 0.000 1.052 204 K CA 0.463 56.629 56.287 -0.201 0.000 0.961 204 K CB -0.377 32.028 32.500 -0.158 0.000 0.741 204 K HN 0.462 nan 8.250 nan 0.000 0.452 205 G N 1.416 109.990 108.800 -0.377 0.000 2.372 205 G HA2 0.494 4.454 3.960 -0.000 0.000 0.323 205 G HA3 0.494 4.454 3.960 -0.000 0.000 0.323 205 G C -1.272 173.491 174.900 -0.230 0.000 1.152 205 G CA -0.537 44.139 45.100 -0.707 0.000 0.906 205 G HN 0.022 nan 8.290 nan 0.000 0.460 206 V N 3.688 123.631 119.914 0.049 0.000 2.445 206 V HA 0.240 4.360 4.120 -0.000 0.000 0.283 206 V C -0.464 175.851 176.094 0.369 0.000 1.014 206 V CA -0.629 61.791 62.300 0.199 0.000 0.852 206 V CB 1.279 33.188 31.823 0.144 0.000 1.021 206 V HN 0.752 nan 8.190 nan 0.000 0.435 207 L N 5.949 127.407 121.223 0.391 0.000 2.281 207 L HA 0.584 4.924 4.340 -0.000 0.000 0.285 207 L C -0.709 176.264 176.870 0.172 0.000 1.074 207 L CA 0.029 55.036 54.840 0.279 0.000 0.817 207 L CB 1.000 43.149 42.059 0.150 0.000 1.168 207 L HN 0.498 nan 8.230 nan 0.000 0.434 208 L N 6.674 127.998 121.223 0.168 0.000 2.270 208 L HA 0.408 4.748 4.340 -0.000 0.000 0.286 208 L C -0.371 176.562 176.870 0.105 0.000 1.059 208 L CA 0.147 55.078 54.840 0.151 0.000 0.839 208 L CB 1.293 43.481 42.059 0.216 0.000 1.221 208 L HN 0.496 nan 8.230 nan 0.000 0.431 209 V N 4.092 124.051 119.914 0.075 0.000 2.398 209 V HA 1.016 5.136 4.120 -0.000 0.000 0.286 209 V C 0.046 176.170 176.094 0.050 0.000 1.026 209 V CA 0.301 62.632 62.300 0.051 0.000 0.868 209 V CB 0.931 32.771 31.823 0.028 0.000 0.982 209 V HN 0.735 nan 8.190 nan 0.000 0.443 210 G N 6.149 114.977 108.800 0.048 0.000 2.600 210 G HA2 0.660 4.620 3.960 -0.000 0.000 0.293 210 G HA3 0.660 4.620 3.960 -0.000 0.000 0.293 210 G C -3.479 171.442 174.900 0.035 0.000 1.408 210 G CA -0.966 44.158 45.100 0.041 0.000 0.782 210 G HN 0.630 nan 8.290 nan 0.000 0.482 211 P HA 0.368 nan 4.420 nan 0.000 0.277 211 P C -2.791 174.526 177.300 0.028 0.000 1.240 211 P CA -1.474 61.641 63.100 0.025 0.000 0.798 211 P CB 0.703 32.415 31.700 0.020 0.000 0.979 212 P HA 0.154 nan 4.420 nan 0.000 0.267 212 P C 0.435 177.749 177.300 0.025 0.000 1.205 212 P CA 1.055 64.172 63.100 0.028 0.000 0.765 212 P CB -0.133 31.579 31.700 0.021 0.000 0.828 213 G N 1.828 110.647 108.800 0.032 0.000 2.531 213 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.283 213 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.283 213 G C 0.316 175.228 174.900 0.020 0.000 1.068 213 G CA 0.238 45.352 45.100 0.022 0.000 1.273 213 G HN 0.689 nan 8.290 nan 0.000 0.532 214 T N -1.127 113.446 114.554 0.032 0.000 3.326 214 T HA 0.525 4.875 4.350 -0.000 0.000 0.302 214 T C 1.800 176.521 174.700 0.036 0.000 0.908 214 T CA 1.924 64.043 62.100 0.031 0.000 0.933 214 T CB -0.650 68.238 68.868 0.033 0.000 1.194 214 T HN 2.374 nan 8.240 nan 0.000 0.585 215 G N 1.882 110.704 108.800 0.036 0.000 2.307 215 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.210 215 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.210 215 G C 1.035 175.944 174.900 0.016 0.000 1.005 215 G CA 0.479 45.596 45.100 0.028 0.000 0.634 215 G HN 0.465 nan 8.290 nan 0.000 0.496 216 K N -0.142 120.287 120.400 0.049 0.000 2.056 216 K HA -0.257 4.063 4.320 -0.000 0.000 0.225 216 K C 2.425 179.015 176.600 -0.015 0.000 1.053 216 K CA 2.494 58.827 56.287 0.076 0.000 0.966 216 K CB -0.643 31.953 32.500 0.161 0.000 0.735 216 K HN 0.409 nan 8.250 nan 0.000 0.455 217 T N 1.404 115.966 114.554 0.012 0.000 2.777 217 T HA -0.101 4.249 4.350 -0.000 0.000 0.266 217 T C 1.731 176.238 174.700 -0.322 0.000 1.040 217 T CA 1.224 63.219 62.100 -0.174 0.000 1.141 217 T CB -0.164 68.776 68.868 0.120 0.000 0.868 217 T HN 0.200 nan 8.240 nan 0.000 0.444 218 L N 1.085 122.207 121.223 -0.167 0.000 2.046 218 L HA 0.054 4.394 4.340 -0.000 0.000 0.208 218 L C 2.120 178.858 176.870 -0.221 0.000 1.077 218 L CA 1.515 56.247 54.840 -0.179 0.000 0.747 218 L CB -0.892 41.123 42.059 -0.073 0.000 0.896 218 L HN 0.145 nan 8.230 nan 0.000 0.432 219 L N 0.435 121.570 121.223 -0.147 0.000 2.012 219 L HA -0.146 4.194 4.340 -0.000 0.000 0.210 219 L C 2.552 179.268 176.870 -0.255 0.000 1.073 219 L CA 2.231 57.007 54.840 -0.108 0.000 0.748 219 L CB -1.186 40.872 42.059 -0.002 0.000 0.891 219 L HN 0.363 nan 8.230 nan 0.000 0.431 220 A N -1.298 121.289 122.820 -0.389 0.000 1.969 220 A HA -0.194 4.125 4.320 -0.000 0.000 0.218 220 A C 2.338 179.474 177.584 -0.745 0.000 1.169 220 A CA 1.734 53.472 52.037 -0.499 0.000 0.635 220 A CB -0.422 17.997 19.000 -0.967 0.000 0.810 220 A HN 0.494 nan 8.150 nan 0.000 0.445 221 K N -0.378 119.482 120.400 -0.900 0.000 2.116 221 K HA 0.111 4.431 4.320 -0.000 0.000 0.203 221 K C 2.332 178.495 176.600 -0.728 0.000 1.052 221 K CA 0.746 56.376 56.287 -1.094 0.000 0.952 221 K CB -0.272 31.745 32.500 -0.805 0.000 0.729 221 K HN 0.413 nan 8.250 nan 0.000 0.446 222 A N 1.248 123.706 122.820 -0.603 0.000 1.842 222 A HA -0.202 4.118 4.320 -0.000 0.000 0.217 222 A C 2.257 179.331 177.584 -0.850 0.000 1.206 222 A CA 2.044 53.654 52.037 -0.713 0.000 0.630 222 A CB -1.154 17.395 19.000 -0.751 0.000 0.839 222 A HN 0.064 nan 8.150 nan 0.000 0.447 223 V N -0.154 119.298 119.914 -0.771 0.000 2.511 223 V HA -0.338 3.782 4.120 -0.000 0.000 0.257 223 V C 2.829 178.684 176.094 -0.399 0.000 1.088 223 V CA 2.266 64.255 62.300 -0.518 0.000 1.098 223 V CB -1.390 30.302 31.823 -0.218 0.000 0.674 223 V HN 0.698 nan 8.190 nan 0.000 0.470 224 A N -0.052 122.500 122.820 -0.447 0.000 1.935 224 A HA 0.158 4.478 4.320 -0.000 0.000 0.214 224 A C 2.369 179.733 177.584 -0.366 0.000 1.178 224 A CA 1.342 53.174 52.037 -0.341 0.000 0.640 224 A CB -0.892 17.874 19.000 -0.389 0.000 0.825 224 A HN 0.490 nan 8.150 nan 0.000 0.447 225 G N -0.161 108.363 108.800 -0.460 0.000 2.484 225 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.215 225 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.215 225 G C 1.342 175.867 174.900 -0.624 0.000 1.219 225 G CA 1.249 46.066 45.100 -0.470 0.000 0.791 225 G HN 0.436 nan 8.290 nan 0.000 0.550 226 E N 0.706 120.582 120.200 -0.539 0.000 2.086 226 E HA -0.176 4.174 4.350 -0.000 0.000 0.205 226 E C 2.765 179.141 176.600 -0.375 0.000 1.027 226 E CA 1.647 57.803 56.400 -0.408 0.000 0.830 226 E CB -0.636 28.883 29.700 -0.302 0.000 0.751 226 E HN 0.367 nan 8.360 nan 0.000 0.456 227 A N -0.332 122.309 122.820 -0.299 0.000 2.121 227 A HA -0.128 4.192 4.320 -0.000 0.000 0.218 227 A C -0.114 177.407 177.584 -0.105 0.000 1.154 227 A CA 0.960 52.895 52.037 -0.169 0.000 0.679 227 A CB -0.464 18.461 19.000 -0.126 0.000 0.795 227 A HN 0.456 nan 8.150 nan 0.000 0.458 228 H N -1.477 117.519 119.070 -0.123 0.000 2.672 228 H HA -0.126 4.430 4.556 -0.000 0.000 0.325 228 H C -0.285 174.984 175.328 -0.098 0.000 1.158 228 H CA 0.947 56.932 56.048 -0.106 0.000 1.134 228 H CB -2.425 27.285 29.762 -0.086 0.000 1.553 228 H HN 0.796 nan 8.280 nan 0.000 0.419 229 V N -1.975 117.913 119.914 -0.043 0.000 3.007 229 V HA 0.679 4.799 4.120 -0.000 0.000 0.311 229 V C -2.368 173.656 176.094 -0.116 0.000 1.120 229 V CA -2.339 59.925 62.300 -0.059 0.000 0.980 229 V CB 2.989 34.780 31.823 -0.052 0.000 1.033 229 V HN -0.023 nan 8.190 nan 0.000 0.429 230 P HA 0.203 nan 4.420 nan 0.000 0.271 230 P C -1.090 175.877 177.300 -0.555 0.000 1.226 230 P CA 0.323 63.172 63.100 -0.418 0.000 0.765 230 P CB 0.358 31.727 31.700 -0.552 0.000 0.835 231 F N 4.987 124.581 119.950 -0.594 0.000 2.291 231 F HA 0.395 4.922 4.527 -0.000 0.000 0.368 231 F C -0.586 175.007 175.800 -0.345 0.000 1.085 231 F CA -1.664 56.113 58.000 -0.372 0.000 1.165 231 F CB -0.307 38.567 39.000 -0.211 0.000 1.429 231 F HN 0.095 nan 8.300 nan 0.000 0.503 232 F N 3.588 123.423 119.950 -0.190 0.000 2.490 232 F HA 0.138 4.665 4.527 -0.000 0.000 0.357 232 F C 0.965 176.503 175.800 -0.436 0.000 1.166 232 F CA -0.074 57.772 58.000 -0.256 0.000 1.116 232 F CB 0.258 39.158 39.000 -0.167 0.000 1.171 232 F HN 0.351 nan 8.300 nan 0.000 0.576 233 S N 5.281 120.824 115.700 -0.263 0.000 2.451 233 S HA 0.700 5.170 4.470 -0.000 0.000 0.301 233 S C -0.661 173.888 174.600 -0.085 0.000 1.116 233 S CA -0.682 57.359 58.200 -0.265 0.000 1.093 233 S CB 0.889 63.957 63.200 -0.220 0.000 1.017 233 S HN 0.622 nan 8.310 nan 0.000 0.482 234 M N 5.066 124.627 119.600 -0.064 0.000 2.073 234 M HA 0.442 4.922 4.480 -0.000 0.000 0.261 234 M C 0.112 176.405 176.300 -0.012 0.000 0.928 234 M CA -0.035 55.235 55.300 -0.051 0.000 1.006 234 M CB 1.155 33.772 32.600 0.029 0.000 1.893 234 M HN 0.766 nan 8.290 nan 0.000 0.440 235 G N 2.100 110.863 108.800 -0.062 0.000 2.464 235 G HA2 0.248 4.208 3.960 -0.000 0.000 0.231 235 G HA3 0.248 4.208 3.960 -0.000 0.000 0.231 235 G C 0.826 175.785 174.900 0.099 0.000 1.267 235 G CA 0.142 45.224 45.100 -0.030 0.000 0.863 235 G HN 1.030 nan 8.290 nan 0.000 0.559 236 G N 0.862 109.721 108.800 0.099 0.000 2.459 236 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.217 236 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.217 236 G C 1.818 176.850 174.900 0.221 0.000 1.183 236 G CA 1.428 46.637 45.100 0.182 0.000 0.776 236 G HN 1.321 nan 8.290 nan 0.000 0.552 237 S N 0.350 116.090 115.700 0.067 0.000 2.967 237 S HA 0.282 4.752 4.470 -0.000 0.000 0.254 237 S C 1.233 175.811 174.600 -0.036 0.000 1.089 237 S CA 0.680 58.893 58.200 0.021 0.000 1.183 237 S CB -0.056 63.136 63.200 -0.014 0.000 0.848 237 S HN 0.582 nan 8.310 nan 0.000 0.477 238 S N -0.879 114.775 115.700 -0.077 0.000 2.733 238 S HA 0.379 4.849 4.470 -0.000 0.000 0.247 238 S C 0.439 174.813 174.600 -0.377 0.000 1.043 238 S CA -0.570 57.474 58.200 -0.259 0.000 1.066 238 S CB -0.555 62.432 63.200 -0.356 0.000 1.045 238 S HN 0.433 nan 8.310 nan 0.000 0.586 239 F N 1.740 121.640 119.950 -0.083 0.000 2.656 239 F HA 0.432 4.959 4.527 -0.000 0.000 0.291 239 F C 1.811 177.557 175.800 -0.089 0.000 1.122 239 F CA 0.153 58.107 58.000 -0.077 0.000 1.427 239 F CB 0.126 39.085 39.000 -0.068 0.000 1.125 239 F HN 0.314 nan 8.300 nan 0.000 0.583 240 I N -1.815 118.795 120.570 0.066 0.000 3.616 240 I HA 0.125 4.295 4.170 -0.000 0.000 0.296 240 I C 1.950 177.994 176.117 -0.122 0.000 1.226 240 I CA 0.339 61.630 61.300 -0.014 0.000 1.394 240 I CB -0.650 37.350 38.000 0.001 0.000 1.171 240 I HN -0.031 nan 8.210 nan 0.000 0.442 241 E N 2.456 122.568 120.200 -0.148 0.000 2.352 241 E HA -0.185 4.165 4.350 -0.000 0.000 0.203 241 E C 1.059 177.385 176.600 -0.457 0.000 1.024 241 E CA 1.193 57.447 56.400 -0.244 0.000 0.842 241 E CB -0.591 28.994 29.700 -0.192 0.000 0.753 241 E HN 0.570 nan 8.360 nan 0.000 0.508 242 M N -0.322 119.054 119.600 -0.374 0.000 1.855 242 M HA 0.304 4.784 4.480 -0.000 0.000 0.221 242 M C -0.031 175.879 176.300 -0.649 0.000 1.275 242 M CA 0.031 55.074 55.300 -0.429 0.000 0.937 242 M CB 0.111 32.611 32.600 -0.167 0.000 1.279 242 M HN -0.051 nan 8.290 nan 0.000 0.490 243 F N -1.490 118.459 119.950 -0.003 0.000 2.679 243 F HA 0.506 5.033 4.527 -0.000 0.000 0.341 243 F C -0.008 175.792 175.800 0.001 0.000 1.095 243 F CA -1.242 56.757 58.000 -0.001 0.000 1.004 243 F CB 0.696 39.694 39.000 -0.003 0.000 1.388 243 F HN 0.285 nan 8.300 nan 0.000 0.505 244 V N 2.320 122.366 119.914 0.220 0.000 3.096 244 V HA 0.039 4.159 4.120 -0.000 0.000 0.249 244 V C 1.062 177.203 176.094 0.079 0.000 1.831 244 V CA 1.680 64.048 62.300 0.113 0.000 1.680 244 V CB -0.198 31.674 31.823 0.081 0.000 0.871 244 V HN 1.531 nan 8.190 nan 0.000 0.486 245 G N 3.629 112.460 108.800 0.051 0.000 2.451 245 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.253 245 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.253 245 G C -0.032 174.887 174.900 0.033 0.000 1.033 245 G CA 0.625 45.747 45.100 0.037 0.000 0.633 245 G HN 1.404 nan 8.290 nan 0.000 0.537 246 L N 0.923 122.170 121.223 0.040 0.000 2.331 246 L HA 0.830 5.170 4.340 -0.000 0.000 0.275 246 L C 1.019 177.901 176.870 0.020 0.000 1.022 246 L CA 0.991 55.847 54.840 0.027 0.000 0.812 246 L CB 1.226 43.300 42.059 0.026 0.000 1.257 246 L HN 1.251 nan 8.230 nan 0.000 0.435 247 G N 1.590 110.404 108.800 0.023 0.000 2.104 247 G HA2 0.313 4.273 3.960 -0.000 0.000 0.055 247 G HA3 0.313 4.273 3.960 -0.000 0.000 0.055 247 G C 0.671 175.621 174.900 0.084 0.000 0.815 247 G CA 0.382 45.514 45.100 0.052 0.000 1.125 247 G HN 1.109 nan 8.290 nan 0.000 0.379 248 A N 0.463 123.329 122.820 0.076 0.000 2.259 248 A HA -0.357 3.963 4.320 -0.000 0.000 0.287 248 A C 3.104 180.703 177.584 0.025 0.000 3.655 248 A CA 5.117 57.169 52.037 0.026 0.000 1.024 248 A CB -1.927 17.066 19.000 -0.012 0.000 0.527 248 A HN 2.686 nan 8.150 nan 0.000 0.443 249 S N 0.254 115.958 115.700 0.006 0.000 2.511 249 S HA -0.462 4.008 4.470 -0.000 0.000 0.282 249 S C 1.962 176.574 174.600 0.019 0.000 1.179 249 S CA 3.048 61.249 58.200 0.002 0.000 1.125 249 S CB -0.853 62.351 63.200 0.005 0.000 1.035 249 S HN 0.997 nan 8.310 nan 0.000 0.452 250 R N 0.932 121.464 120.500 0.054 0.000 2.082 250 R HA -0.096 4.244 4.340 -0.000 0.000 0.234 250 R C 2.255 178.650 176.300 0.158 0.000 1.136 250 R CA 2.198 58.337 56.100 0.065 0.000 0.935 250 R CB -0.945 29.362 30.300 0.012 0.000 0.842 250 R HN 0.415 nan 8.270 nan 0.000 0.430 251 V N 1.479 121.561 119.914 0.279 0.000 2.236 251 V HA -0.378 3.742 4.120 -0.000 0.000 0.255 251 V C 2.579 178.697 176.094 0.040 0.000 1.068 251 V CA 2.553 64.961 62.300 0.179 0.000 1.044 251 V CB -0.741 31.051 31.823 -0.053 0.000 0.653 251 V HN 0.463 nan 8.190 nan 0.000 0.448 252 R N -0.341 120.120 120.500 -0.066 0.000 2.117 252 R HA -0.199 4.141 4.340 -0.000 0.000 0.243 252 R C 2.043 178.329 176.300 -0.023 0.000 1.143 252 R CA 1.868 57.900 56.100 -0.114 0.000 0.968 252 R CB -0.444 29.788 30.300 -0.112 0.000 0.863 252 R HN 0.601 nan 8.270 nan 0.000 0.444 253 D N 0.224 120.626 120.400 0.004 0.000 2.194 253 D HA -0.098 4.542 4.640 -0.000 0.000 0.204 253 D C 1.771 178.048 176.300 -0.038 0.000 0.964 253 D CA 0.442 54.431 54.000 -0.020 0.000 0.846 253 D CB -0.102 40.679 40.800 -0.031 0.000 0.962 253 D HN 0.036 nan 8.370 nan 0.000 0.490 254 L N 0.316 121.558 121.223 0.031 0.000 1.955 254 L HA -0.164 4.176 4.340 -0.000 0.000 0.213 254 L C 1.946 178.770 176.870 -0.078 0.000 1.072 254 L CA 1.732 56.565 54.840 -0.012 0.000 0.755 254 L CB -1.129 41.034 42.059 0.173 0.000 0.888 254 L HN -0.109 nan 8.230 nan 0.000 0.432 255 F N 0.243 120.104 119.950 -0.148 0.000 2.269 255 F HA -0.158 4.369 4.527 -0.000 0.000 0.301 255 F C 2.520 178.227 175.800 -0.155 0.000 1.082 255 F CA 1.393 59.304 58.000 -0.147 0.000 1.360 255 F CB -0.675 38.230 39.000 -0.158 0.000 1.041 255 F HN 0.328 nan 8.300 nan 0.000 0.512 256 E N 0.125 120.340 120.200 0.025 0.000 2.031 256 E HA -0.156 4.194 4.350 -0.000 0.000 0.193 256 E C 2.073 178.615 176.600 -0.097 0.000 0.994 256 E CA 2.281 58.667 56.400 -0.023 0.000 0.800 256 E CB -0.584 29.099 29.700 -0.028 0.000 0.752 256 E HN 0.230 nan 8.360 nan 0.000 0.447 257 T N 0.630 115.057 114.554 -0.212 0.000 2.701 257 T HA -0.090 4.260 4.350 -0.000 0.000 0.263 257 T C 1.848 176.298 174.700 -0.417 0.000 1.040 257 T CA 1.575 63.476 62.100 -0.331 0.000 1.147 257 T CB -0.770 67.782 68.868 -0.527 0.000 0.865 257 T HN 0.382 nan 8.240 nan 0.000 0.426 258 A N 2.034 124.488 122.820 -0.609 0.000 1.870 258 A HA -0.308 4.012 4.320 -0.000 0.000 0.219 258 A C 2.208 179.760 177.584 -0.053 0.000 1.224 258 A CA 2.443 54.299 52.037 -0.302 0.000 0.650 258 A CB -0.841 18.007 19.000 -0.253 0.000 0.836 258 A HN 0.491 nan 8.150 nan 0.000 0.454 259 K N -0.650 119.714 120.400 -0.060 0.000 2.052 259 K HA -0.269 4.051 4.320 -0.000 0.000 0.215 259 K C 2.310 178.922 176.600 0.020 0.000 1.053 259 K CA 2.216 58.506 56.287 0.005 0.000 0.934 259 K CB -0.209 32.308 32.500 0.029 0.000 0.717 259 K HN 0.582 nan 8.250 nan 0.000 0.450 260 K N 1.128 121.527 120.400 -0.001 0.000 1.978 260 K HA -0.198 4.122 4.320 -0.000 0.000 0.214 260 K C 1.132 177.765 176.600 0.054 0.000 1.049 260 K CA 1.824 58.123 56.287 0.020 0.000 0.939 260 K CB -0.014 32.487 32.500 0.003 0.000 0.721 260 K HN 0.250 nan 8.250 nan 0.000 0.441 261 Q N 0.839 120.696 119.800 0.095 0.000 3.041 261 Q HA 0.343 4.683 4.340 -0.000 0.000 0.372 261 Q C -1.004 175.093 176.000 0.162 0.000 1.241 261 Q CA -0.522 55.363 55.803 0.137 0.000 1.010 261 Q CB 0.869 29.715 28.738 0.180 0.000 1.467 261 Q HN 0.215 nan 8.270 nan 0.000 0.462 262 A N 2.111 124.997 122.820 0.109 0.000 2.302 262 A HA 0.641 4.961 4.320 -0.000 0.000 0.285 262 A C -2.231 175.390 177.584 0.062 0.000 1.105 262 A CA -1.378 50.713 52.037 0.090 0.000 0.816 262 A CB 0.165 19.203 19.000 0.064 0.000 1.067 262 A HN 0.442 nan 8.150 nan 0.000 0.489 263 P HA 0.452 nan 4.420 nan 0.000 0.272 263 P C -0.444 176.886 177.300 0.051 0.000 1.223 263 P CA -0.060 63.064 63.100 0.039 0.000 0.784 263 P CB 0.983 32.695 31.700 0.020 0.000 0.923 264 S N -0.179 115.554 115.700 0.056 0.000 2.643 264 S HA 0.602 5.072 4.470 -0.000 0.000 0.266 264 S C -1.238 173.404 174.600 0.071 0.000 1.130 264 S CA -0.873 57.368 58.200 0.069 0.000 0.817 264 S CB 0.562 63.923 63.200 0.268 0.000 1.107 264 S HN 0.267 nan 8.310 nan 0.000 0.471 265 I N 1.271 121.892 120.570 0.085 0.000 2.498 265 I HA 0.414 4.584 4.170 -0.000 0.000 0.290 265 I C -1.144 175.041 176.117 0.114 0.000 1.032 265 I CA -0.989 60.381 61.300 0.117 0.000 1.073 265 I CB 1.697 39.830 38.000 0.223 0.000 1.251 265 I HN 0.541 nan 8.210 nan 0.000 0.426 266 I N 6.335 126.922 120.570 0.029 0.000 2.307 266 I HA 0.226 4.396 4.170 -0.000 0.000 0.289 266 I C -0.581 175.575 176.117 0.065 0.000 1.021 266 I CA -0.312 60.967 61.300 -0.036 0.000 1.224 266 I CB 0.553 38.379 38.000 -0.292 0.000 1.376 266 I HN 0.347 nan 8.210 nan 0.000 0.470 267 F N 8.435 128.265 119.950 -0.201 0.000 2.411 267 F HA 0.575 5.102 4.527 -0.000 0.000 0.352 267 F C -0.359 175.405 175.800 -0.060 0.000 1.123 267 F CA -0.882 57.059 58.000 -0.097 0.000 1.044 267 F CB 0.967 39.916 39.000 -0.084 0.000 1.135 267 F HN 0.267 nan 8.300 nan 0.000 0.461 268 I N 6.164 126.406 120.570 -0.548 0.000 2.428 268 I HA 0.167 4.337 4.170 -0.000 0.000 0.279 268 I C -0.305 175.402 176.117 -0.683 0.000 1.040 268 I CA -0.621 60.429 61.300 -0.417 0.000 1.171 268 I CB 0.562 38.481 38.000 -0.136 0.000 1.312 268 I HN 0.491 nan 8.210 nan 0.000 0.470 269 D N 4.254 124.196 120.400 -0.764 0.000 2.368 269 D HA -0.018 4.622 4.640 -0.000 0.000 0.240 269 D C 0.910 177.081 176.300 -0.216 0.000 1.169 269 D CA 0.591 54.291 54.000 -0.502 0.000 0.906 269 D CB 0.873 41.533 40.800 -0.233 0.000 1.187 269 D HN 0.470 nan 8.370 nan 0.000 0.435 270 E N 0.688 120.809 120.200 -0.131 0.000 2.805 270 E HA -0.271 4.079 4.350 -0.000 0.000 0.266 270 E C 1.198 177.735 176.600 -0.106 0.000 1.092 270 E CA 0.448 56.799 56.400 -0.082 0.000 0.781 270 E CB -1.666 28.007 29.700 -0.044 0.000 1.379 270 E HN 0.513 nan 8.360 nan 0.000 0.433 271 I N 1.348 121.816 120.570 -0.169 0.000 2.354 271 I HA -0.298 3.872 4.170 -0.000 0.000 0.258 271 I C 0.856 176.863 176.117 -0.184 0.000 1.111 271 I CA 2.344 63.514 61.300 -0.217 0.000 1.390 271 I CB -0.203 37.601 38.000 -0.326 0.000 1.072 271 I HN 0.334 nan 8.210 nan 0.000 0.441 272 D N 0.477 120.796 120.400 -0.136 0.000 2.767 272 D HA 0.210 4.850 4.640 -0.000 0.000 0.231 272 D C 0.765 177.021 176.300 -0.074 0.000 1.105 272 D CA 0.750 54.689 54.000 -0.102 0.000 1.024 272 D CB 0.184 40.939 40.800 -0.076 0.000 1.123 272 D HN 0.474 nan 8.370 nan 0.000 0.470 273 A N 0.979 123.752 122.820 -0.079 0.000 2.654 273 A HA 0.138 4.458 4.320 -0.000 0.000 0.203 273 A C 1.070 178.622 177.584 -0.055 0.000 1.306 273 A CA -0.192 51.816 52.037 -0.048 0.000 1.041 273 A CB -0.174 18.812 19.000 -0.022 0.000 1.217 273 A HN 0.431 nan 8.150 nan 0.000 0.510 274 I N -4.433 116.077 120.570 -0.101 0.000 4.541 274 I HA 0.466 4.636 4.170 -0.000 0.000 0.337 274 I C 1.022 177.067 176.117 -0.120 0.000 1.338 274 I CA 0.578 61.806 61.300 -0.120 0.000 1.244 274 I CB 0.306 38.186 38.000 -0.201 0.000 1.417 274 I HN -0.008 nan 8.210 nan 0.000 0.501 275 G N 1.767 110.498 108.800 -0.115 0.000 2.670 275 G HA2 0.131 4.091 3.960 -0.000 0.000 0.219 275 G HA3 0.131 4.091 3.960 -0.000 0.000 0.219 275 G C 0.418 175.276 174.900 -0.070 0.000 1.342 275 G CA 0.177 45.214 45.100 -0.104 0.000 0.902 275 G HN 0.334 nan 8.290 nan 0.000 0.553 288 D N 1.245 121.653 120.400 0.013 0.000 2.483 288 D HA 0.208 4.848 4.640 -0.000 0.000 0.281 288 D C 0.355 176.659 176.300 0.007 0.000 1.174 288 D CA -0.074 53.930 54.000 0.007 0.000 0.938 288 D CB 0.783 41.584 40.800 0.002 0.000 1.002 288 D HN 0.267 nan 8.370 nan 0.000 0.501 289 E N 1.003 121.209 120.200 0.010 0.000 1.977 289 E HA -0.179 4.171 4.350 -0.000 0.000 0.201 289 E C 1.408 178.006 176.600 -0.003 0.000 0.976 289 E CA 0.455 56.860 56.400 0.009 0.000 0.868 289 E CB 0.185 29.892 29.700 0.012 0.000 0.816 289 E HN 0.141 nan 8.360 nan 0.000 0.522 290 R N 1.065 121.560 120.500 -0.008 0.000 2.343 290 R HA -0.318 4.022 4.340 -0.000 0.000 0.192 290 R C 1.923 178.202 176.300 -0.035 0.000 0.995 290 R CA 2.574 58.659 56.100 -0.024 0.000 0.377 290 R CB -1.306 28.978 30.300 -0.027 0.000 0.707 290 R HN 0.399 nan 8.270 nan 0.000 0.254 291 E N 0.879 121.062 120.200 -0.028 0.000 2.396 291 E HA -0.223 4.127 4.350 -0.000 0.000 0.200 291 E C 1.928 178.512 176.600 -0.027 0.000 1.023 291 E CA 1.075 57.457 56.400 -0.030 0.000 0.857 291 E CB -0.153 29.535 29.700 -0.020 0.000 0.775 291 E HN 0.548 nan 8.360 nan 0.000 0.525 292 Q N 0.324 120.113 119.800 -0.019 0.000 1.917 292 Q HA -0.129 4.211 4.340 -0.000 0.000 0.205 292 Q C 2.304 178.284 176.000 -0.032 0.000 0.988 292 Q CA 1.947 57.741 55.803 -0.015 0.000 0.851 292 Q CB -0.427 28.311 28.738 0.000 0.000 0.916 292 Q HN 0.204 nan 8.270 nan 0.000 0.424 293 T N 2.135 116.670 114.554 -0.031 0.000 2.450 293 T HA -0.217 4.133 4.350 -0.000 0.000 0.250 293 T C 1.187 175.807 174.700 -0.133 0.000 1.264 293 T CA 1.041 63.102 62.100 -0.064 0.000 1.191 293 T CB -0.850 67.991 68.868 -0.046 0.000 0.862 293 T HN 0.091 nan 8.240 nan 0.000 0.411 294 L N 1.789 122.931 121.223 -0.134 0.000 2.295 294 L HA -0.049 4.291 4.340 -0.000 0.000 0.233 294 L C 1.615 178.420 176.870 -0.108 0.000 1.227 294 L CA 1.267 56.026 54.840 -0.135 0.000 0.815 294 L CB -0.332 41.667 42.059 -0.100 0.000 1.111 294 L HN 0.570 nan 8.230 nan 0.000 0.613 295 N N -1.867 116.781 118.700 -0.088 0.000 2.631 295 N HA -0.326 4.414 4.740 -0.000 0.000 0.218 295 N C 1.306 176.772 175.510 -0.074 0.000 0.972 295 N CA 1.739 54.753 53.050 -0.060 0.000 1.918 295 N CB -0.749 37.712 38.487 -0.042 0.000 0.895 295 N HN 0.760 nan 8.380 nan 0.000 0.540 296 Q N 1.082 120.810 119.800 -0.120 0.000 2.259 296 Q HA 0.219 4.559 4.340 -0.000 0.000 0.201 296 Q C 1.956 177.762 176.000 -0.324 0.000 0.938 296 Q CA 1.146 56.840 55.803 -0.181 0.000 0.872 296 Q CB -0.287 28.351 28.738 -0.167 0.000 0.971 296 Q HN 0.505 nan 8.270 nan 0.000 0.494 297 L N -0.099 120.943 121.223 -0.302 0.000 1.937 297 L HA -0.131 4.209 4.340 -0.000 0.000 0.213 297 L C 1.698 178.395 176.870 -0.288 0.000 1.077 297 L CA 1.706 56.326 54.840 -0.367 0.000 0.758 297 L CB -1.078 40.843 42.059 -0.231 0.000 0.888 297 L HN 0.321 nan 8.230 nan 0.000 0.433 298 L N 0.330 121.477 121.223 -0.126 0.000 2.123 298 L HA -0.318 4.022 4.340 -0.000 0.000 0.217 298 L C 2.663 179.488 176.870 -0.075 0.000 1.081 298 L CA 2.248 57.053 54.840 -0.057 0.000 0.772 298 L CB -1.926 40.122 42.059 -0.019 0.000 0.890 298 L HN 0.488 nan 8.230 nan 0.000 0.437 299 A N -1.267 121.493 122.820 -0.100 0.000 1.877 299 A HA -0.170 4.150 4.320 -0.000 0.000 0.216 299 A C 2.282 179.852 177.584 -0.022 0.000 1.186 299 A CA 1.502 53.548 52.037 0.015 0.000 0.620 299 A CB -0.399 18.640 19.000 0.065 0.000 0.822 299 A HN 0.402 nan 8.150 nan 0.000 0.443 300 E N -0.269 119.641 120.200 -0.483 0.000 2.072 300 E HA -0.092 4.258 4.350 -0.000 0.000 0.191 300 E C 1.775 178.170 176.600 -0.342 0.000 0.985 300 E CA 0.860 56.798 56.400 -0.769 0.000 0.801 300 E CB -0.331 28.483 29.700 -1.477 0.000 0.750 300 E HN 0.612 nan 8.360 nan 0.000 0.452 301 M N 0.834 120.277 119.600 -0.261 0.000 2.740 301 M HA -0.066 4.414 4.480 -0.000 0.000 0.230 301 M C -0.111 176.189 176.300 0.001 0.000 1.100 301 M CA 0.667 55.959 55.300 -0.014 0.000 1.047 301 M CB 0.098 32.693 32.600 -0.009 0.000 1.652 301 M HN -0.215 nan 8.290 nan 0.000 0.528 302 D N -0.119 120.299 120.400 0.029 0.000 2.772 302 D HA 0.289 4.929 4.640 -0.000 0.000 0.272 302 D C 1.326 177.674 176.300 0.079 0.000 1.314 302 D CA 0.233 54.263 54.000 0.050 0.000 0.835 302 D CB 0.478 41.313 40.800 0.058 0.000 1.080 302 D HN 0.468 nan 8.370 nan 0.000 0.482 303 G N 0.817 109.670 108.800 0.089 0.000 2.377 303 G HA2 -0.456 3.504 3.960 -0.000 0.000 0.250 303 G HA3 -0.456 3.504 3.960 -0.000 0.000 0.250 303 G C 0.837 175.840 174.900 0.170 0.000 1.039 303 G CA 0.445 45.602 45.100 0.095 0.000 0.625 303 G HN 0.372 nan 8.290 nan 0.000 0.526 304 F N -0.299 119.634 119.950 -0.028 0.000 3.103 304 F HA -0.263 4.264 4.527 0.000 0.000 0.250 304 F C 2.253 178.041 175.800 -0.020 0.000 1.486 304 F CA 3.688 61.667 58.000 -0.035 0.000 1.817 304 F CB -1.215 37.755 39.000 -0.050 0.000 0.525 304 F HN 0.839 nan 8.300 nan 0.000 0.320 305 G N -0.919 107.932 108.800 0.084 0.000 2.662 305 G HA2 -0.039 3.921 3.960 -0.000 0.000 0.215 305 G HA3 -0.039 3.921 3.960 -0.000 0.000 0.215 305 G C 1.526 176.445 174.900 0.032 0.000 1.310 305 G CA 1.087 46.173 45.100 -0.023 0.000 0.849 305 G HN 0.626 nan 8.290 nan 0.000 0.568 306 S N 0.270 116.020 115.700 0.084 0.000 2.383 306 S HA -0.067 4.403 4.470 -0.000 0.000 0.229 306 S C 1.354 175.983 174.600 0.047 0.000 1.030 306 S CA 1.634 59.869 58.200 0.058 0.000 1.002 306 S CB -0.306 62.934 63.200 0.066 0.000 0.829 306 S HN 0.603 nan 8.310 nan 0.000 0.467 307 E N -0.709 119.529 120.200 0.064 0.000 3.547 307 E HA -0.206 4.144 4.350 -0.000 0.000 0.300 307 E C -0.554 176.067 176.600 0.035 0.000 0.857 307 E CA 0.730 57.158 56.400 0.047 0.000 1.039 307 E CB -1.239 28.478 29.700 0.027 0.000 1.524 307 E HN 0.294 nan 8.360 nan 0.000 0.457 308 N N 0.048 118.771 118.700 0.038 0.000 2.696 308 N HA 0.479 5.219 4.740 -0.000 0.000 0.308 308 N C -1.379 174.151 175.510 0.034 0.000 1.915 308 N CA 0.607 53.676 53.050 0.032 0.000 0.906 308 N CB 1.477 39.983 38.487 0.032 0.000 1.284 308 N HN 0.332 nan 8.380 nan 0.000 0.488 309 A N 0.624 123.462 122.820 0.030 0.000 2.486 309 A HA 0.713 5.033 4.320 -0.000 0.000 0.300 309 A C -2.585 175.004 177.584 0.008 0.000 1.048 309 A CA -1.069 50.985 52.037 0.028 0.000 0.696 309 A CB 1.379 20.403 19.000 0.040 0.000 1.278 309 A HN 0.078 nan 8.150 nan 0.000 0.405 310 P HA 0.397 nan 4.420 nan 0.000 0.214 310 P C -1.030 176.260 177.300 -0.016 0.000 1.849 310 P CA -0.123 62.967 63.100 -0.016 0.000 1.022 310 P CB 0.365 32.069 31.700 0.006 0.000 1.912 311 V N 3.624 123.521 119.914 -0.027 0.000 2.370 311 V HA 0.333 4.453 4.120 -0.000 0.000 0.279 311 V C 0.493 176.542 176.094 -0.075 0.000 1.029 311 V CA -0.578 61.697 62.300 -0.041 0.000 0.870 311 V CB 1.707 33.489 31.823 -0.068 0.000 0.984 311 V HN 0.298 nan 8.190 nan 0.000 0.451 312 I N 5.379 125.913 120.570 -0.059 0.000 2.412 312 I HA 0.492 4.662 4.170 -0.000 0.000 0.296 312 I C -0.407 175.682 176.117 -0.046 0.000 0.987 312 I CA -0.593 60.666 61.300 -0.067 0.000 1.180 312 I CB 2.030 40.008 38.000 -0.038 0.000 1.340 312 I HN 0.427 nan 8.210 nan 0.000 0.455 313 V N 7.988 127.863 119.914 -0.065 0.000 2.444 313 V HA 0.562 4.682 4.120 -0.000 0.000 0.294 313 V C -0.936 175.251 176.094 0.155 0.000 1.022 313 V CA -0.353 61.943 62.300 -0.007 0.000 0.850 313 V CB 1.642 33.414 31.823 -0.086 0.000 0.992 313 V HN 0.562 nan 8.190 nan 0.000 0.426 314 L N 6.443 127.847 121.223 0.302 0.000 2.334 314 L HA 1.012 5.352 4.340 -0.000 0.000 0.273 314 L C 0.187 177.314 176.870 0.428 0.000 1.013 314 L CA -0.551 54.560 54.840 0.451 0.000 0.816 314 L CB 1.818 44.177 42.059 0.501 0.000 1.278 314 L HN 0.835 nan 8.230 nan 0.000 0.431 315 A N 1.759 124.774 122.820 0.326 0.000 2.498 315 A HA 0.958 5.278 4.320 -0.000 0.000 0.298 315 A C -1.171 176.421 177.584 0.013 0.000 1.075 315 A CA -0.499 51.513 52.037 -0.043 0.000 0.714 315 A CB 1.938 20.762 19.000 -0.293 0.000 1.299 315 A HN 0.785 nan 8.150 nan 0.000 0.407 316 A N 0.509 123.265 122.820 -0.107 0.000 2.374 316 A HA 0.858 5.178 4.320 -0.000 0.000 0.305 316 A C -0.396 177.168 177.584 -0.033 0.000 1.053 316 A CA -0.053 52.011 52.037 0.046 0.000 0.726 316 A CB 1.516 20.666 19.000 0.251 0.000 1.229 316 A HN 1.736 nan 8.150 nan 0.000 0.431 317 T N 0.125 114.671 114.554 -0.014 0.000 2.916 317 T HA 0.470 4.820 4.350 -0.000 0.000 0.298 317 T C 0.367 175.065 174.700 -0.003 0.000 1.031 317 T CA -0.211 61.870 62.100 -0.033 0.000 0.993 317 T CB 0.897 69.726 68.868 -0.065 0.000 1.045 317 T HN 0.800 nan 8.240 nan 0.000 0.454 318 N N 2.959 121.657 118.700 -0.003 0.000 2.254 318 N HA 0.158 4.898 4.740 -0.000 0.000 0.190 318 N C 0.594 176.103 175.510 -0.001 0.000 1.107 318 N CA -0.243 52.811 53.050 0.007 0.000 0.869 318 N CB 0.421 38.916 38.487 0.014 0.000 0.983 318 N HN 0.263 nan 8.380 nan 0.000 0.487 319 R N 1.139 121.632 120.500 -0.012 0.000 3.220 319 R HA 0.255 4.595 4.340 -0.000 0.000 0.324 319 R C -1.879 174.409 176.300 -0.020 0.000 1.283 319 R CA -1.397 54.695 56.100 -0.014 0.000 1.387 319 R CB 0.694 30.985 30.300 -0.016 0.000 1.413 319 R HN 0.291 nan 8.270 nan 0.000 0.610 320 P HA -0.154 nan 4.420 nan 0.000 0.225 320 P C 0.566 177.854 177.300 -0.020 0.000 1.148 320 P CA 1.102 64.189 63.100 -0.022 0.000 0.779 320 P CB 0.336 32.032 31.700 -0.008 0.000 0.780 321 E N 1.046 121.238 120.200 -0.013 0.000 2.303 321 E HA 0.037 4.387 4.350 -0.000 0.000 0.211 321 E C 1.179 177.771 176.600 -0.013 0.000 1.223 321 E CA -0.214 56.180 56.400 -0.010 0.000 1.344 321 E CB -1.051 28.647 29.700 -0.004 0.000 1.299 321 E HN 0.462 nan 8.360 nan 0.000 0.441 322 I N -3.949 116.608 120.570 -0.021 0.000 4.983 322 I HA 0.253 4.423 4.170 -0.000 0.000 0.346 322 I C 0.254 176.352 176.117 -0.032 0.000 1.261 322 I CA -0.540 60.746 61.300 -0.023 0.000 1.406 322 I CB 0.180 38.166 38.000 -0.023 0.000 1.529 322 I HN -0.128 nan 8.210 nan 0.000 0.524 323 L N 2.860 124.059 121.223 -0.041 0.000 2.492 323 L HA 0.032 4.372 4.340 -0.000 0.000 0.280 323 L C 0.092 176.937 176.870 -0.041 0.000 1.240 323 L CA 0.396 55.203 54.840 -0.055 0.000 0.831 323 L CB 0.078 42.093 42.059 -0.073 0.000 1.100 323 L HN 0.266 nan 8.230 nan 0.000 0.505 324 D N 3.154 123.526 120.400 -0.047 0.000 2.277 324 D HA 0.122 4.762 4.640 -0.000 0.000 0.249 324 D C -1.549 174.739 176.300 -0.020 0.000 1.134 324 D CA -1.962 52.019 54.000 -0.031 0.000 0.863 324 D CB 1.180 41.959 40.800 -0.034 0.000 1.143 324 D HN 0.164 nan 8.370 nan 0.000 0.458 325 P HA -0.120 nan 4.420 nan 0.000 0.229 325 P C 0.713 178.021 177.300 0.013 0.000 1.150 325 P CA 0.541 63.644 63.100 0.004 0.000 0.765 325 P CB 0.142 31.845 31.700 0.004 0.000 0.783 326 A N -0.216 122.609 122.820 0.008 0.000 2.016 326 A HA -0.037 4.283 4.320 -0.000 0.000 0.217 326 A C 2.193 179.800 177.584 0.038 0.000 1.162 326 A CA 0.781 52.828 52.037 0.016 0.000 0.662 326 A CB -1.204 17.799 19.000 0.004 0.000 0.812 326 A HN 0.167 nan 8.150 nan 0.000 0.450 327 L N -0.883 120.367 121.223 0.044 0.000 2.109 327 L HA -0.111 4.229 4.340 -0.000 0.000 0.207 327 L C 2.330 179.292 176.870 0.154 0.000 1.086 327 L CA 0.771 55.681 54.840 0.117 0.000 0.760 327 L CB -0.536 41.551 42.059 0.046 0.000 0.910 327 L HN 0.248 nan 8.230 nan 0.000 0.437 328 M N -0.241 119.413 119.600 0.090 0.000 2.549 328 M HA -0.060 4.420 4.480 -0.000 0.000 0.260 328 M C 1.063 177.408 176.300 0.075 0.000 1.076 328 M CA 0.733 56.086 55.300 0.088 0.000 1.090 328 M CB -1.212 31.419 32.600 0.051 0.000 1.418 328 M HN 0.172 nan 8.290 nan 0.000 0.486 329 R N 2.151 122.689 120.500 0.063 0.000 2.640 329 R HA 0.048 4.388 4.340 -0.000 0.000 0.270 329 R C -2.266 174.059 176.300 0.041 0.000 1.024 329 R CA -1.143 54.983 56.100 0.043 0.000 1.085 329 R CB 0.075 30.396 30.300 0.035 0.000 0.963 329 R HN -0.027 nan 8.270 nan 0.000 0.426 330 P HA -0.054 nan 4.420 nan 0.000 0.261 330 P C 0.229 177.532 177.300 0.004 0.000 1.173 330 P CA 1.232 64.342 63.100 0.017 0.000 0.760 330 P CB 0.530 32.238 31.700 0.014 0.000 0.783 331 G N 2.117 110.909 108.800 -0.013 0.000 2.195 331 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.246 331 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.246 331 G C 0.822 175.689 174.900 -0.056 0.000 0.984 331 G CA -0.174 44.907 45.100 -0.032 0.000 0.633 331 G HN 0.478 nan 8.290 nan 0.000 0.525 332 R N -0.696 119.779 120.500 -0.042 0.000 1.996 332 R HA 0.555 4.895 4.340 -0.000 0.000 0.120 332 R C 0.280 176.457 176.300 -0.205 0.000 1.829 332 R CA -0.289 55.767 56.100 -0.074 0.000 1.637 332 R CB -0.912 29.449 30.300 0.102 0.000 1.313 332 R HN 0.192 nan 8.270 nan 0.000 0.487 333 F N 2.996 122.956 119.950 0.016 0.000 2.606 333 F HA 0.144 4.671 4.527 0.000 0.000 0.347 333 F C 0.973 176.786 175.800 0.021 0.000 1.207 333 F CA -0.345 57.667 58.000 0.021 0.000 1.306 333 F CB -0.074 38.937 39.000 0.018 0.000 1.657 333 F HN 0.170 nan 8.300 nan 0.000 0.606 334 D N 1.012 121.459 120.400 0.078 0.000 2.119 334 D HA -0.123 4.517 4.640 -0.000 0.000 0.199 334 D C 1.089 177.439 176.300 0.084 0.000 0.987 334 D CA 1.153 55.192 54.000 0.065 0.000 0.858 334 D CB -0.226 40.589 40.800 0.025 0.000 1.008 334 D HN 0.295 nan 8.370 nan 0.000 0.450 335 R N 0.546 121.091 120.500 0.076 0.000 2.738 335 R HA 0.221 4.561 4.340 -0.000 0.000 0.268 335 R C 0.047 176.414 176.300 0.111 0.000 1.062 335 R CA 0.275 56.425 56.100 0.084 0.000 1.158 335 R CB 0.171 30.517 30.300 0.078 0.000 1.046 335 R HN 0.300 nan 8.270 nan 0.000 0.493 336 Q N -0.395 119.462 119.800 0.095 0.000 3.258 336 Q HA 0.239 4.579 4.340 -0.000 0.000 0.214 336 Q C -1.304 174.745 176.000 0.082 0.000 0.873 336 Q CA -0.570 55.292 55.803 0.099 0.000 0.752 336 Q CB 1.178 29.967 28.738 0.084 0.000 1.396 336 Q HN 0.225 nan 8.270 nan 0.000 0.463 337 V N 3.448 123.417 119.914 0.091 0.000 2.420 337 V HA -0.001 4.119 4.120 -0.000 0.000 0.274 337 V C 0.355 176.491 176.094 0.069 0.000 1.003 337 V CA 0.182 62.529 62.300 0.078 0.000 1.092 337 V CB -0.743 31.133 31.823 0.089 0.000 1.002 337 V HN 0.578 nan 8.190 nan 0.000 0.473 338 L N 5.531 126.787 121.223 0.054 0.000 2.464 338 L HA 0.581 4.921 4.340 -0.000 0.000 0.264 338 L C 0.057 176.954 176.870 0.045 0.000 1.199 338 L CA 0.476 55.344 54.840 0.047 0.000 0.818 338 L CB 1.187 43.269 42.059 0.037 0.000 1.102 338 L HN 0.494 nan 8.230 nan 0.000 0.473 339 V N 0.880 120.819 119.914 0.042 0.000 2.823 339 V HA 0.488 4.608 4.120 -0.000 0.000 0.296 339 V C -1.670 174.445 176.094 0.035 0.000 1.250 339 V CA -0.347 61.977 62.300 0.040 0.000 0.939 339 V CB 2.031 33.883 31.823 0.048 0.000 1.062 339 V HN 0.853 nan 8.190 nan 0.000 0.433 340 D N 3.478 123.896 120.400 0.030 0.000 2.585 340 D HA 0.547 5.187 4.640 -0.000 0.000 0.254 340 D C -0.874 175.440 176.300 0.024 0.000 1.067 340 D CA -0.685 53.331 54.000 0.026 0.000 1.090 340 D CB 1.301 42.116 40.800 0.025 0.000 1.408 340 D HN 0.635 nan 8.370 nan 0.000 0.554 341 K N 1.330 121.743 120.400 0.021 0.000 2.436 341 K HA 0.204 4.524 4.320 -0.000 0.000 0.275 341 K C -2.066 174.544 176.600 0.018 0.000 0.999 341 K CA -0.830 55.468 56.287 0.017 0.000 0.980 341 K CB -0.031 32.478 32.500 0.016 0.000 0.919 341 K HN 0.274 nan 8.250 nan 0.000 0.484 342 P HA -0.046 nan 4.420 nan 0.000 0.271 342 P C -0.845 176.466 177.300 0.018 0.000 1.216 342 P CA -0.248 62.858 63.100 0.010 0.000 0.776 342 P CB 0.580 32.276 31.700 -0.006 0.000 0.881 343 D N 1.362 121.783 120.400 0.035 0.000 2.228 343 D HA -0.073 4.567 4.640 -0.000 0.000 0.259 343 D C 1.140 177.495 176.300 0.092 0.000 1.249 343 D CA -0.260 53.783 54.000 0.072 0.000 0.997 343 D CB -0.214 40.634 40.800 0.080 0.000 1.151 343 D HN 0.243 nan 8.370 nan 0.000 0.536 344 F N 0.353 120.308 119.950 0.008 0.000 2.084 344 F HA -0.096 4.431 4.527 -0.000 0.000 0.296 344 F C 1.982 177.788 175.800 0.009 0.000 1.111 344 F CA 1.447 59.452 58.000 0.008 0.000 1.224 344 F CB -0.413 38.590 39.000 0.007 0.000 0.991 344 F HN 0.160 nan 8.300 nan 0.000 0.471 345 N N 0.626 119.462 118.700 0.226 0.000 2.120 345 N HA -0.109 4.631 4.740 -0.000 0.000 0.188 345 N C 2.087 177.604 175.510 0.010 0.000 1.024 345 N CA 1.318 54.439 53.050 0.118 0.000 0.852 345 N CB -1.397 37.162 38.487 0.121 0.000 1.003 345 N HN 0.436 nan 8.380 nan 0.000 0.424 346 G N 1.224 110.031 108.800 0.012 0.000 2.628 346 G HA2 -0.352 3.608 3.960 -0.000 0.000 0.217 346 G HA3 -0.352 3.608 3.960 -0.000 0.000 0.217 346 G C 1.609 176.480 174.900 -0.048 0.000 1.240 346 G CA 1.194 46.289 45.100 -0.009 0.000 0.792 346 G HN 0.230 nan 8.290 nan 0.000 0.593 347 R N -0.561 119.884 120.500 -0.092 0.000 2.165 347 R HA -0.142 4.198 4.340 -0.000 0.000 0.254 347 R C 2.728 178.925 176.300 -0.172 0.000 1.153 347 R CA 1.684 57.694 56.100 -0.150 0.000 0.971 347 R CB -0.631 29.522 30.300 -0.246 0.000 0.878 347 R HN 0.327 nan 8.270 nan 0.000 0.449 348 V N 1.035 120.822 119.914 -0.212 0.000 2.358 348 V HA -0.237 3.883 4.120 -0.000 0.000 0.246 348 V C 2.051 178.107 176.094 -0.063 0.000 1.047 348 V CA 2.228 64.436 62.300 -0.152 0.000 1.035 348 V CB -0.513 31.243 31.823 -0.112 0.000 0.658 348 V HN 0.566 nan 8.190 nan 0.000 0.452 349 E N 0.008 120.183 120.200 -0.041 0.000 2.299 349 E HA -0.097 4.253 4.350 -0.000 0.000 0.193 349 E C 2.048 178.640 176.600 -0.014 0.000 0.998 349 E CA 0.671 57.058 56.400 -0.022 0.000 0.851 349 E CB -0.189 29.502 29.700 -0.014 0.000 0.795 349 E HN 0.425 nan 8.360 nan 0.000 0.492 350 I N 1.641 122.209 120.570 -0.003 0.000 2.179 350 I HA -0.213 3.957 4.170 -0.000 0.000 0.242 350 I C 2.463 178.644 176.117 0.108 0.000 1.088 350 I CA 1.148 62.480 61.300 0.053 0.000 1.357 350 I CB -1.120 36.911 38.000 0.053 0.000 1.051 350 I HN 0.208 nan 8.210 nan 0.000 0.409 351 L N 0.397 121.648 121.223 0.048 0.000 2.131 351 L HA -0.195 4.145 4.340 -0.000 0.000 0.210 351 L C 2.581 179.473 176.870 0.036 0.000 1.092 351 L CA 1.205 56.077 54.840 0.053 0.000 0.759 351 L CB -0.586 41.467 42.059 -0.009 0.000 0.903 351 L HN 0.225 nan 8.230 nan 0.000 0.435 352 K N -0.120 120.280 120.400 -0.000 0.000 2.103 352 K HA -0.170 4.150 4.320 -0.000 0.000 0.207 352 K C 1.900 178.472 176.600 -0.047 0.000 1.048 352 K CA 1.425 57.700 56.287 -0.019 0.000 0.930 352 K CB 0.064 32.550 32.500 -0.023 0.000 0.716 352 K HN 0.159 nan 8.250 nan 0.000 0.444 353 V N 0.116 119.974 119.914 -0.093 0.000 2.323 353 V HA -0.188 3.932 4.120 -0.000 0.000 0.244 353 V C 2.019 177.960 176.094 -0.254 0.000 1.041 353 V CA 1.526 63.691 62.300 -0.224 0.000 1.025 353 V CB -0.608 30.982 31.823 -0.388 0.000 0.656 353 V HN 0.383 nan 8.190 nan 0.000 0.451 354 H N -1.195 117.864 119.070 -0.018 0.000 2.535 354 H HA 0.147 4.703 4.556 0.000 0.000 0.273 354 H C 2.102 177.422 175.328 -0.014 0.000 0.983 354 H CA 0.944 56.982 56.048 -0.017 0.000 1.238 354 H CB 0.360 30.111 29.762 -0.018 0.000 1.412 354 H HN 0.337 nan 8.280 nan 0.000 0.562 355 I N 1.377 121.989 120.570 0.070 0.000 2.830 355 I HA -0.109 4.061 4.170 -0.000 0.000 0.263 355 I C 0.613 176.740 176.117 0.016 0.000 1.230 355 I CA 0.599 61.922 61.300 0.039 0.000 1.480 355 I CB -0.073 37.943 38.000 0.026 0.000 1.095 355 I HN -0.066 nan 8.210 nan 0.000 0.455 356 K N 0.371 120.768 120.400 -0.005 0.000 2.489 356 K HA 0.290 4.610 4.320 -0.000 0.000 0.278 356 K C 1.208 177.805 176.600 -0.005 0.000 1.000 356 K CA 0.815 57.093 56.287 -0.015 0.000 1.012 356 K CB -0.073 32.403 32.500 -0.040 0.000 0.903 356 K HN 0.331 nan 8.250 nan 0.000 0.485 357 G N 0.825 109.623 108.800 -0.003 0.000 2.217 357 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.246 357 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.246 357 G C -0.037 174.867 174.900 0.005 0.000 0.990 357 G CA -0.039 45.062 45.100 0.000 0.000 0.627 357 G HN 0.418 nan 8.290 nan 0.000 0.522 358 V N 1.852 121.772 119.914 0.009 0.000 2.370 358 V HA 0.483 4.603 4.120 -0.000 0.000 0.279 358 V C 0.826 176.928 176.094 0.012 0.000 1.029 358 V CA -0.504 61.803 62.300 0.012 0.000 0.870 358 V CB 1.490 33.324 31.823 0.018 0.000 0.984 358 V HN 0.548 nan 8.190 nan 0.000 0.451 359 K N 4.801 125.208 120.400 0.012 0.000 2.524 359 K HA 0.231 4.551 4.320 -0.000 0.000 0.279 359 K C -0.825 175.787 176.600 0.021 0.000 0.993 359 K CA 0.417 56.712 56.287 0.014 0.000 1.030 359 K CB 0.303 32.810 32.500 0.013 0.000 0.891 359 K HN 0.619 nan 8.250 nan 0.000 0.488 360 L N 2.251 123.486 121.223 0.021 0.000 2.177 360 L HA 0.629 4.969 4.340 -0.000 0.000 0.255 360 L C 0.086 176.971 176.870 0.025 0.000 1.065 360 L CA -0.609 54.246 54.840 0.026 0.000 0.982 360 L CB 1.894 43.965 42.059 0.021 0.000 1.559 360 L HN 0.813 nan 8.230 nan 0.000 0.492 361 A N -0.856 121.978 122.820 0.022 0.000 2.704 361 A HA 0.196 4.516 4.320 -0.000 0.000 0.260 361 A C 0.719 178.309 177.584 0.010 0.000 1.144 361 A CA 0.360 52.407 52.037 0.017 0.000 0.985 361 A CB -0.029 18.983 19.000 0.020 0.000 1.256 361 A HN 0.864 nan 8.150 nan 0.000 0.598 362 N N -0.592 118.114 118.700 0.010 0.000 2.951 362 N HA -0.286 4.454 4.740 -0.000 0.000 0.218 362 N C 0.446 175.959 175.510 0.005 0.000 0.858 362 N CA 1.767 54.821 53.050 0.007 0.000 1.050 362 N CB -1.115 37.376 38.487 0.006 0.000 1.012 362 N HN 0.466 nan 8.380 nan 0.000 0.611 363 D N 1.336 121.737 120.400 0.002 0.000 2.108 363 D HA -0.069 4.571 4.640 -0.000 0.000 0.190 363 D C 1.011 177.314 176.300 0.005 0.000 0.995 363 D CA 1.589 55.588 54.000 -0.002 0.000 0.834 363 D CB -0.507 40.286 40.800 -0.012 0.000 0.967 363 D HN 0.334 nan 8.370 nan 0.000 0.446 364 V N 1.670 121.590 119.914 0.009 0.000 4.843 364 V HA -0.258 3.862 4.120 -0.000 0.000 0.220 364 V C 0.438 176.541 176.094 0.014 0.000 0.965 364 V CA 0.580 62.888 62.300 0.014 0.000 0.875 364 V CB -1.530 30.302 31.823 0.015 0.000 0.537 364 V HN 0.295 nan 8.190 nan 0.000 0.371 365 N N 4.231 122.941 118.700 0.016 0.000 2.776 365 N HA 0.371 5.111 4.740 -0.000 0.000 0.245 365 N C 0.792 176.316 175.510 0.023 0.000 1.121 365 N CA -0.752 52.312 53.050 0.024 0.000 0.852 365 N CB 0.997 39.502 38.487 0.030 0.000 1.142 365 N HN 0.654 nan 8.380 nan 0.000 0.514 366 L N 1.485 122.715 121.223 0.011 0.000 2.549 366 L HA -0.122 4.218 4.340 -0.000 0.000 0.230 366 L C 2.058 178.907 176.870 -0.034 0.000 1.162 366 L CA 0.519 55.348 54.840 -0.017 0.000 0.834 366 L CB -0.219 41.823 42.059 -0.028 0.000 0.947 366 L HN 0.476 nan 8.230 nan 0.000 0.452 367 Q N 0.302 120.130 119.800 0.047 0.000 1.994 367 Q HA -0.082 4.258 4.340 -0.000 0.000 0.198 367 Q C 1.588 177.716 176.000 0.212 0.000 0.976 367 Q CA 1.159 57.068 55.803 0.175 0.000 0.828 367 Q CB 0.042 28.908 28.738 0.214 0.000 0.894 367 Q HN 0.208 nan 8.270 nan 0.000 0.432 368 E N 0.035 120.312 120.200 0.128 0.000 2.330 368 E HA 0.051 4.401 4.350 -0.000 0.000 0.210 368 E C 0.157 176.795 176.600 0.063 0.000 1.256 368 E CA 0.014 56.481 56.400 0.111 0.000 1.346 368 E CB 0.257 30.002 29.700 0.075 0.000 1.308 368 E HN 0.102 nan 8.360 nan 0.000 0.441 369 V N -0.708 119.223 119.914 0.029 0.000 3.264 369 V HA 0.053 4.173 4.120 -0.000 0.000 0.217 369 V C 2.058 178.125 176.094 -0.045 0.000 1.236 369 V CA 0.902 63.197 62.300 -0.010 0.000 1.287 369 V CB -0.513 31.292 31.823 -0.030 0.000 1.241 369 V HN 0.293 nan 8.190 nan 0.000 0.518 370 A N 0.703 123.420 122.820 -0.172 0.000 1.954 370 A HA -0.404 3.916 4.320 -0.000 0.000 0.222 370 A C 2.054 179.595 177.584 -0.072 0.000 1.199 370 A CA 3.095 54.940 52.037 -0.321 0.000 0.657 370 A CB -0.685 17.731 19.000 -0.974 0.000 0.823 370 A HN 0.512 nan 8.150 nan 0.000 0.463 371 K N -0.123 120.391 120.400 0.191 0.000 2.044 371 K HA -0.141 4.179 4.320 -0.000 0.000 0.210 371 K C 1.734 178.427 176.600 0.156 0.000 1.049 371 K CA 2.056 58.557 56.287 0.357 0.000 0.927 371 K CB -0.530 32.164 32.500 0.323 0.000 0.713 371 K HN 0.554 nan 8.250 nan 0.000 0.443 372 L N -0.381 120.896 121.223 0.089 0.000 2.044 372 L HA -0.030 4.310 4.340 -0.000 0.000 0.205 372 L C 1.229 178.121 176.870 0.036 0.000 1.075 372 L CA 1.219 56.090 54.840 0.052 0.000 0.747 372 L CB -0.831 41.249 42.059 0.034 0.000 0.903 372 L HN 0.015 nan 8.230 nan 0.000 0.435 373 T N 1.713 116.276 114.554 0.015 0.000 4.492 373 T HA 0.348 4.698 4.350 -0.000 0.000 0.222 373 T C 0.454 175.158 174.700 0.007 0.000 0.836 373 T CA -0.058 62.040 62.100 -0.004 0.000 0.900 373 T CB -0.706 68.141 68.868 -0.036 0.000 1.399 373 T HN 0.308 nan 8.240 nan 0.000 0.877 374 A N 0.969 123.809 122.820 0.032 0.000 2.347 374 A HA 0.634 4.954 4.320 -0.000 0.000 0.287 374 A C 1.523 179.123 177.584 0.027 0.000 1.199 374 A CA 0.038 52.101 52.037 0.044 0.000 0.851 374 A CB -0.392 18.642 19.000 0.057 0.000 1.118 374 A HN 0.890 nan 8.150 nan 0.000 0.525 375 G N 1.849 110.663 108.800 0.023 0.000 2.336 375 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.233 375 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.233 375 G C 0.308 175.213 174.900 0.008 0.000 1.053 375 G CA 0.096 45.206 45.100 0.017 0.000 0.625 375 G HN 0.850 nan 8.290 nan 0.000 0.511 376 L N 2.133 123.357 121.223 0.002 0.000 2.559 376 L HA 0.467 4.807 4.340 -0.000 0.000 0.274 376 L C 1.482 178.346 176.870 -0.010 0.000 1.205 376 L CA 0.076 54.913 54.840 -0.005 0.000 0.907 376 L CB 0.475 42.528 42.059 -0.010 0.000 1.153 376 L HN 0.555 nan 8.230 nan 0.000 0.490 377 A N 3.383 126.198 122.820 -0.008 0.000 2.507 377 A HA 0.255 4.575 4.320 -0.000 0.000 0.235 377 A C 1.498 179.071 177.584 -0.019 0.000 1.070 377 A CA 0.369 52.401 52.037 -0.008 0.000 0.768 377 A CB 0.120 19.118 19.000 -0.003 0.000 1.011 377 A HN 0.975 nan 8.150 nan 0.000 0.502 378 G N 0.903 109.696 108.800 -0.012 0.000 2.574 378 G HA2 -0.143 3.817 3.960 -0.000 0.000 0.220 378 G HA3 -0.143 3.817 3.960 -0.000 0.000 0.220 378 G C 1.650 176.518 174.900 -0.053 0.000 1.173 378 G CA 1.788 46.878 45.100 -0.017 0.000 0.772 378 G HN 1.508 nan 8.290 nan 0.000 0.585 379 A N 0.739 123.531 122.820 -0.046 0.000 1.978 379 A HA -0.097 4.223 4.320 -0.000 0.000 0.220 379 A C 2.075 179.605 177.584 -0.089 0.000 1.170 379 A CA 2.209 54.202 52.037 -0.073 0.000 0.636 379 A CB -0.390 18.588 19.000 -0.035 0.000 0.810 379 A HN 0.346 nan 8.150 nan 0.000 0.448 380 D N -0.152 120.210 120.400 -0.062 0.000 2.178 380 D HA -0.074 4.566 4.640 -0.000 0.000 0.202 380 D C 1.906 178.162 176.300 -0.074 0.000 0.974 380 D CA 0.872 54.838 54.000 -0.056 0.000 0.841 380 D CB -0.250 40.529 40.800 -0.035 0.000 0.953 380 D HN 0.475 nan 8.370 nan 0.000 0.478 381 L N 1.064 122.234 121.223 -0.087 0.000 1.948 381 L HA -0.149 4.191 4.340 -0.000 0.000 0.212 381 L C 2.635 179.412 176.870 -0.155 0.000 1.074 381 L CA 1.429 56.212 54.840 -0.094 0.000 0.753 381 L CB -0.666 41.349 42.059 -0.074 0.000 0.888 381 L HN -0.049 nan 8.230 nan 0.000 0.432 382 A N -0.027 122.603 122.820 -0.317 0.000 2.009 382 A HA -0.316 4.004 4.320 -0.000 0.000 0.222 382 A C 2.136 179.565 177.584 -0.258 0.000 1.175 382 A CA 2.410 54.105 52.037 -0.571 0.000 0.651 382 A CB -1.060 17.275 19.000 -1.109 0.000 0.815 382 A HN 0.667 nan 8.150 nan 0.000 0.459 383 N N -0.018 118.578 118.700 -0.173 0.000 2.092 383 N HA -0.104 4.636 4.740 -0.000 0.000 0.189 383 N C 1.839 177.309 175.510 -0.065 0.000 1.040 383 N CA 1.547 54.539 53.050 -0.097 0.000 0.845 383 N CB -0.249 38.193 38.487 -0.075 0.000 1.017 383 N HN 0.494 nan 8.380 nan 0.000 0.426 384 I N 1.477 122.012 120.570 -0.058 0.000 2.185 384 I HA -0.312 3.857 4.170 -0.000 0.000 0.246 384 I C 2.345 178.447 176.117 -0.024 0.000 1.088 384 I CA 1.053 62.332 61.300 -0.035 0.000 1.347 384 I CB -0.185 37.797 38.000 -0.030 0.000 1.041 384 I HN 0.247 nan 8.210 nan 0.000 0.415 385 I N 0.397 120.948 120.570 -0.030 0.000 2.127 385 I HA -0.351 3.819 4.170 -0.000 0.000 0.241 385 I C 2.324 178.438 176.117 -0.004 0.000 1.075 385 I CA 1.946 63.243 61.300 -0.005 0.000 1.334 385 I CB -0.572 37.437 38.000 0.016 0.000 1.040 385 I HN 0.341 nan 8.210 nan 0.000 0.405 386 N N 0.779 119.469 118.700 -0.016 0.000 2.216 386 N HA -0.229 4.511 4.740 -0.000 0.000 0.183 386 N C 1.729 177.225 175.510 -0.024 0.000 1.017 386 N CA 1.283 54.323 53.050 -0.016 0.000 0.861 386 N CB -0.039 38.437 38.487 -0.018 0.000 0.986 386 N HN 0.163 nan 8.380 nan 0.000 0.428 387 E N 0.111 120.296 120.200 -0.025 0.000 2.097 387 E HA -0.103 4.247 4.350 -0.000 0.000 0.196 387 E C 1.708 178.292 176.600 -0.027 0.000 1.000 387 E CA 1.616 58.001 56.400 -0.025 0.000 0.804 387 E CB -0.559 29.128 29.700 -0.021 0.000 0.740 387 E HN 0.440 nan 8.360 nan 0.000 0.454 388 A N 0.507 123.318 122.820 -0.016 0.000 1.897 388 A HA 0.086 4.406 4.320 -0.000 0.000 0.215 388 A C 2.420 179.971 177.584 -0.055 0.000 1.181 388 A CA 1.709 53.741 52.037 -0.009 0.000 0.620 388 A CB -0.934 18.090 19.000 0.039 0.000 0.821 388 A HN 0.370 nan 8.150 nan 0.000 0.443 389 A N -0.415 122.384 122.820 -0.034 0.000 2.024 389 A HA -0.025 4.295 4.320 -0.000 0.000 0.220 389 A C 2.058 179.593 177.584 -0.082 0.000 1.164 389 A CA 1.443 53.452 52.037 -0.047 0.000 0.643 389 A CB -0.522 18.469 19.000 -0.016 0.000 0.806 389 A HN 0.480 nan 8.150 nan 0.000 0.451 390 L N -1.587 119.591 121.223 -0.075 0.000 2.270 390 L HA -0.020 4.320 4.340 -0.000 0.000 0.210 390 L C 2.099 178.901 176.870 -0.113 0.000 1.104 390 L CA 0.222 55.017 54.840 -0.076 0.000 0.804 390 L CB -0.215 41.814 42.059 -0.050 0.000 0.937 390 L HN 0.274 nan 8.230 nan 0.000 0.450 391 L N -0.527 120.605 121.223 -0.151 0.000 2.313 391 L HA -0.013 4.327 4.340 -0.000 0.000 0.214 391 L C 2.466 179.076 176.870 -0.433 0.000 1.119 391 L CA 1.310 56.031 54.840 -0.199 0.000 0.809 391 L CB -0.773 41.209 42.059 -0.128 0.000 0.933 391 L HN 0.141 nan 8.230 nan 0.000 0.449 392 A N -0.357 122.115 122.820 -0.580 0.000 1.819 392 A HA -0.041 4.279 4.320 -0.000 0.000 0.215 392 A C 2.328 179.755 177.584 -0.262 0.000 1.226 392 A CA 1.334 52.954 52.037 -0.694 0.000 0.608 392 A CB -1.578 17.204 19.000 -0.362 0.000 0.877 392 A HN 0.358 nan 8.150 nan 0.000 0.452 393 G N -0.915 107.798 108.800 -0.145 0.000 2.568 393 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.220 393 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.220 393 G C 1.569 176.431 174.900 -0.063 0.000 1.104 393 G CA 1.140 46.196 45.100 -0.074 0.000 0.738 393 G HN 0.527 nan 8.290 nan 0.000 0.574 394 R N 1.115 121.562 120.500 -0.089 0.000 2.092 394 R HA -0.072 4.268 4.340 -0.000 0.000 0.226 394 R C 0.798 177.078 176.300 -0.032 0.000 1.140 394 R CA 1.229 57.294 56.100 -0.058 0.000 0.910 394 R CB -0.416 29.845 30.300 -0.065 0.000 0.822 394 R HN 0.478 nan 8.270 nan 0.000 0.433 395 N N 2.064 120.750 118.700 -0.023 0.000 2.466 395 N HA -0.064 4.676 4.740 -0.000 0.000 0.263 395 N C -0.155 175.362 175.510 0.012 0.000 1.178 395 N CA 0.262 53.316 53.050 0.006 0.000 0.983 395 N CB 0.238 38.743 38.487 0.031 0.000 1.331 395 N HN 0.364 nan 8.380 nan 0.000 0.500 396 N N 2.182 120.885 118.700 0.005 0.000 1.086 396 N HA -0.399 4.341 4.740 -0.000 0.000 0.148 396 N C -0.841 174.676 175.510 0.011 0.000 0.278 396 N CA 2.674 55.728 53.050 0.006 0.000 1.035 396 N CB -0.357 38.136 38.487 0.011 0.000 1.587 396 N HN 0.782 nan 8.380 nan 0.000 0.467 397 Q N -1.164 118.654 119.800 0.030 0.000 3.197 397 Q HA -0.209 4.131 4.340 -0.000 0.000 0.029 397 Q C -1.045 174.975 176.000 0.034 0.000 1.689 397 Q CA 1.015 56.848 55.803 0.050 0.000 0.256 397 Q CB 0.024 28.829 28.738 0.112 0.000 0.583 397 Q HN 0.372 nan 8.270 nan 0.000 0.322 398 K N 2.077 122.498 120.400 0.035 0.000 2.498 398 K HA 0.147 4.467 4.320 -0.000 0.000 0.207 398 K C 0.513 177.133 176.600 0.032 0.000 1.033 398 K CA 0.070 56.372 56.287 0.025 0.000 1.138 398 K CB 0.528 33.039 32.500 0.018 0.000 0.860 398 K HN 0.350 nan 8.250 nan 0.000 0.490 399 E N -0.693 119.540 120.200 0.054 0.000 2.592 399 E HA 0.179 4.529 4.350 -0.000 0.000 0.184 399 E C -0.339 176.309 176.600 0.079 0.000 1.056 399 E CA 0.507 56.943 56.400 0.061 0.000 1.151 399 E CB 0.685 30.422 29.700 0.061 0.000 1.435 399 E HN -0.229 nan 8.360 nan 0.000 0.496 400 V N 2.870 122.875 119.914 0.152 0.000 6.349 400 V HA -0.198 3.922 4.120 -0.000 0.000 0.355 400 V C -0.252 175.948 176.094 0.176 0.000 0.459 400 V CA 0.286 62.712 62.300 0.210 0.000 1.047 400 V CB -1.754 30.123 31.823 0.089 0.000 1.089 400 V HN 0.229 nan 8.190 nan 0.000 0.648 401 R N 1.756 122.352 120.500 0.161 0.000 2.531 401 R HA 0.348 4.688 4.340 -0.000 0.000 0.273 401 R C 1.211 177.495 176.300 -0.026 0.000 1.070 401 R CA -0.600 55.496 56.100 -0.006 0.000 1.112 401 R CB 0.715 30.952 30.300 -0.104 0.000 1.049 401 R HN 0.623 nan 8.270 nan 0.000 0.508 402 Q N 1.548 121.336 119.800 -0.020 0.000 2.561 402 Q HA -0.208 4.132 4.340 -0.000 0.000 0.217 402 Q C 1.576 177.557 176.000 -0.031 0.000 0.980 402 Q CA 1.113 56.912 55.803 -0.006 0.000 0.927 402 Q CB 0.230 28.968 28.738 -0.001 0.000 0.980 402 Q HN 0.547 nan 8.270 nan 0.000 0.525 403 Q N -0.685 119.053 119.800 -0.103 0.000 2.046 403 Q HA -0.193 4.147 4.340 -0.000 0.000 0.200 403 Q C 1.466 177.408 176.000 -0.098 0.000 0.975 403 Q CA 1.089 56.808 55.803 -0.141 0.000 0.836 403 Q CB 0.080 28.666 28.738 -0.255 0.000 0.896 403 Q HN 0.560 nan 8.270 nan 0.000 0.428 404 H N 0.048 119.119 119.070 0.003 0.000 2.421 404 H HA -0.100 4.456 4.556 -0.000 0.000 0.298 404 H C 2.075 177.403 175.328 0.000 0.000 1.087 404 H CA 0.965 57.014 56.048 0.001 0.000 1.330 404 H CB 0.108 29.871 29.762 0.001 0.000 1.388 404 H HN 0.260 nan 8.280 nan 0.000 0.526 405 L N 0.474 121.763 121.223 0.110 0.000 2.109 405 L HA -0.106 4.234 4.340 -0.000 0.000 0.207 405 L C 2.361 179.254 176.870 0.038 0.000 1.086 405 L CA 1.126 56.002 54.840 0.060 0.000 0.760 405 L CB -0.751 41.331 42.059 0.040 0.000 0.910 405 L HN 0.130 nan 8.230 nan 0.000 0.437 406 K N 0.313 120.730 120.400 0.029 0.000 2.209 406 K HA -0.215 4.105 4.320 -0.000 0.000 0.204 406 K C 1.974 178.589 176.600 0.025 0.000 1.048 406 K CA 0.907 57.206 56.287 0.020 0.000 0.940 406 K CB 0.130 32.635 32.500 0.008 0.000 0.729 406 K HN 0.076 nan 8.250 nan 0.000 0.451 407 E N 0.156 120.381 120.200 0.042 0.000 2.107 407 E HA 0.047 4.397 4.350 -0.000 0.000 0.191 407 E C 0.414 177.038 176.600 0.040 0.000 0.982 407 E CA 0.824 57.255 56.400 0.051 0.000 0.809 407 E CB -0.107 29.650 29.700 0.095 0.000 0.756 407 E HN 0.348 nan 8.360 nan 0.000 0.459 408 A N -0.606 122.237 122.820 0.039 0.000 2.251 408 A HA 0.283 4.603 4.320 -0.000 0.000 0.277 408 A C 1.031 178.624 177.584 0.014 0.000 1.313 408 A CA 0.390 52.440 52.037 0.020 0.000 0.813 408 A CB 0.159 19.168 19.000 0.015 0.000 1.210 408 A HN 0.526 nan 8.150 nan 0.000 0.509 409 V N -1.920 117.997 119.914 0.005 0.000 2.199 409 V HA -0.352 3.768 4.120 -0.000 0.000 0.113 409 V C 1.509 177.607 176.094 0.006 0.000 0.603 409 V CA 2.536 64.838 62.300 0.004 0.000 1.413 409 V CB -3.121 28.707 31.823 0.007 0.000 1.568 409 V HN 1.099 nan 8.190 nan 0.000 0.958 410 E N 0.846 121.051 120.200 0.007 0.000 2.274 410 E HA -0.093 4.257 4.350 -0.000 0.000 0.194 410 E C 1.236 177.838 176.600 0.004 0.000 0.996 410 E CA 0.509 56.913 56.400 0.007 0.000 0.840 410 E CB -0.074 29.631 29.700 0.009 0.000 0.772 410 E HN 0.621 nan 8.360 nan 0.000 0.491 411 R N 1.752 122.253 120.500 0.001 0.000 4.113 411 R HA 0.072 4.412 4.340 -0.000 0.000 0.179 411 R C 0.603 176.903 176.300 -0.000 0.000 1.781 411 R CA 0.506 56.605 56.100 -0.001 0.000 1.402 411 R CB -0.032 30.265 30.300 -0.006 0.000 1.375 411 R HN 0.305 nan 8.270 nan 0.000 0.786 412 G N 1.096 109.898 108.800 0.002 0.000 3.383 412 G HA2 0.075 4.035 3.960 -0.000 0.000 0.251 412 G HA3 0.075 4.035 3.960 -0.000 0.000 0.251 412 G C 0.608 175.510 174.900 0.003 0.000 1.203 412 G CA -0.416 44.687 45.100 0.004 0.000 0.852 412 G HN 0.348 nan 8.290 nan 0.000 0.531 413 I N 1.378 121.949 120.570 0.002 0.000 2.598 413 I HA 0.081 4.251 4.170 -0.000 0.000 0.284 413 I C 1.778 177.896 176.117 0.002 0.000 1.140 413 I CA -0.356 60.945 61.300 0.001 0.000 1.420 413 I CB 1.456 39.456 38.000 0.000 0.000 1.387 413 I HN 0.163 nan 8.210 nan 0.000 0.553 414 A N 5.326 128.147 122.820 0.002 0.000 1.854 414 A HA 0.196 4.516 4.320 -0.000 0.000 0.214 414 A C 1.574 179.159 177.584 0.002 0.000 1.192 414 A CA 0.940 52.978 52.037 0.003 0.000 0.611 414 A CB -0.762 18.240 19.000 0.003 0.000 0.832 414 A HN 1.205 nan 8.150 nan 0.000 0.442 415 G N -0.686 108.115 108.800 0.002 0.000 2.546 415 G HA2 -0.127 3.833 3.960 -0.000 0.000 0.285 415 G HA3 -0.127 3.833 3.960 -0.000 0.000 0.285 415 G C -0.170 174.731 174.900 0.002 0.000 1.105 415 G CA 0.179 45.280 45.100 0.001 0.000 1.189 415 G HN 0.480 nan 8.290 nan 0.000 0.534 416 L N -0.238 120.986 121.223 0.002 0.000 2.476 416 L HA 0.441 4.781 4.340 -0.000 0.000 0.255 416 L C 1.304 178.175 176.870 0.002 0.000 1.218 416 L CA -0.336 54.505 54.840 0.002 0.000 0.819 416 L CB 0.470 42.531 42.059 0.002 0.000 1.119 416 L HN 0.626 nan 8.230 nan 0.000 0.485 417 E N 1.412 121.613 120.200 0.002 0.000 2.079 417 E HA 0.166 4.516 4.350 -0.000 0.000 0.252 417 E C -0.704 175.897 176.600 0.002 0.000 0.992 417 E CA -0.853 55.548 56.400 0.002 0.000 0.829 417 E CB 0.446 30.148 29.700 0.002 0.000 1.158 417 E HN 0.308 nan 8.360 nan 0.000 0.435 418 K N 0.000 120.401 120.400 0.002 0.000 2.780 418 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 418 K CA 0.000 56.288 56.287 0.002 0.000 0.838 418 K CB 0.000 32.501 32.500 0.002 0.000 1.064 418 K HN 0.000 nan 8.250 nan 0.000 0.543