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 1pdw_1_F DATA FIRST_RESID 2202 DATA SEQUENCE ASKRALVILA KGAEEXETVI PVDVXRRAGI KVTVAGLAGK DPVQCSRDVV DATA SEQUENCE ICPDASLEDA KKEGPYDVVV LPGGNLGAQN LSESAAVKEI LKEQENRKGL DATA SEQUENCE IAAICAGPTA LLAHEIGFGS KVTTHPLAKD KXXNGGHYTY SENRVEKDGL DATA SEQUENCE ILTSRGPGTS FEFALAIVEA LNGKEVAAQV KAPLVLK 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 2202 A HA 0.000 nan 4.320 nan 0.000 0.244 2202 A C 0.000 177.571 177.584 -0.022 0.000 1.274 2202 A CA 0.000 52.023 52.037 -0.024 0.000 0.836 2202 A CB 0.000 18.982 19.000 -0.031 0.000 0.831 2203 S N 0.623 116.310 115.700 -0.022 0.000 2.616 2203 S HA 0.590 5.060 4.470 0.000 0.000 0.277 2203 S C 0.197 174.785 174.600 -0.020 0.000 1.234 2203 S CA -0.317 57.873 58.200 -0.017 0.000 1.028 2203 S CB 0.538 63.731 63.200 -0.012 0.000 0.988 2203 S HN 0.652 nan 8.310 nan 0.000 0.522 2204 K N 2.250 122.643 120.400 -0.013 0.000 2.436 2204 K HA 0.207 4.527 4.320 0.000 0.000 0.275 2204 K C -0.056 176.545 176.600 0.002 0.000 0.999 2204 K CA 0.644 56.926 56.287 -0.008 0.000 0.980 2204 K CB 0.278 32.776 32.500 -0.004 0.000 0.919 2204 K HN 0.497 nan 8.250 nan 0.000 0.484 2205 R N 1.367 121.873 120.500 0.009 0.000 2.562 2205 R HA 0.694 5.034 4.340 0.000 0.000 0.298 2205 R C -1.102 175.303 176.300 0.174 0.000 0.961 2205 R CA -0.983 55.150 56.100 0.054 0.000 0.881 2205 R CB 2.085 32.344 30.300 -0.068 0.000 1.159 2205 R HN 0.628 nan 8.270 nan 0.000 0.450 2206 A N 2.741 125.693 122.820 0.220 0.000 2.386 2206 A HA 0.598 4.918 4.320 0.000 0.000 0.311 2206 A C -1.538 176.121 177.584 0.125 0.000 1.068 2206 A CA -0.650 51.491 52.037 0.172 0.000 0.743 2206 A CB 1.423 20.455 19.000 0.054 0.000 1.258 2206 A HN 0.528 nan 8.150 nan 0.000 0.429 2207 L N 3.056 124.210 121.223 -0.115 0.000 2.319 2207 L HA 0.657 4.997 4.340 0.000 0.000 0.281 2207 L C -1.243 175.507 176.870 -0.200 0.000 1.005 2207 L CA -0.255 54.334 54.840 -0.419 0.000 0.828 2207 L CB 1.621 43.056 42.059 -1.040 0.000 1.227 2207 L HN 0.376 nan 8.230 nan 0.000 0.415 2208 V N 6.948 126.785 119.914 -0.128 0.000 2.328 2208 V HA 0.393 4.513 4.120 0.000 0.000 0.278 2208 V C 0.327 176.380 176.094 -0.068 0.000 1.021 2208 V CA -0.417 61.845 62.300 -0.064 0.000 0.838 2208 V CB 1.243 33.050 31.823 -0.027 0.000 0.999 2208 V HN 0.593 nan 8.190 nan 0.000 0.447 2209 I N 6.108 126.645 120.570 -0.056 0.000 2.322 2209 I HA 0.226 4.397 4.170 0.000 0.000 0.292 2209 I C -0.320 175.783 176.117 -0.023 0.000 1.060 2209 I CA -0.295 60.977 61.300 -0.047 0.000 1.309 2209 I CB 1.003 38.980 38.000 -0.039 0.000 1.415 2209 I HN 0.381 nan 8.210 nan 0.000 0.492 2210 L N 7.867 129.076 121.223 -0.024 0.000 2.265 2210 L HA 0.700 5.040 4.340 0.000 0.000 0.289 2210 L C -0.020 176.843 176.870 -0.012 0.000 1.033 2210 L CA 0.030 54.860 54.840 -0.016 0.000 0.814 2210 L CB 0.858 42.908 42.059 -0.016 0.000 1.203 2210 L HN 0.674 nan 8.230 nan 0.000 0.423 2211 A N 4.707 127.522 122.820 -0.009 0.000 2.354 2211 A HA 0.532 4.852 4.320 0.000 0.000 0.321 2211 A C -0.540 177.039 177.584 -0.008 0.000 1.125 2211 A CA -0.875 51.159 52.037 -0.006 0.000 0.799 2211 A CB 0.803 19.803 19.000 0.000 0.000 1.293 2211 A HN 0.668 nan 8.150 nan 0.000 0.452 2212 K N 0.070 120.466 120.400 -0.006 0.000 2.524 2212 K HA 0.281 4.601 4.320 0.000 0.000 0.279 2212 K C 1.192 177.785 176.600 -0.011 0.000 0.993 2212 K CA 1.627 57.909 56.287 -0.008 0.000 1.030 2212 K CB -0.067 32.429 32.500 -0.006 0.000 0.891 2212 K HN 1.796 nan 8.250 nan 0.000 0.488 2213 G N 1.785 110.577 108.800 -0.014 0.000 2.199 2213 G HA2 -0.302 3.658 3.960 0.000 0.000 0.254 2213 G HA3 -0.302 3.658 3.960 0.000 0.000 0.254 2213 G C 0.184 175.069 174.900 -0.024 0.000 0.982 2213 G CA 0.112 45.201 45.100 -0.019 0.000 0.632 2213 G HN 0.961 nan 8.290 nan 0.000 0.529 2214 A N 0.176 122.983 122.820 -0.022 0.000 2.520 2214 A HA 0.474 4.795 4.320 0.000 0.000 0.235 2214 A C 0.695 178.261 177.584 -0.030 0.000 1.065 2214 A CA 0.431 52.452 52.037 -0.026 0.000 0.764 2214 A CB 0.313 19.301 19.000 -0.020 0.000 1.002 2214 A HN 0.331 nan 8.150 nan 0.000 0.502 2215 E N 1.834 122.010 120.200 -0.039 0.000 2.217 2215 E HA 0.065 4.415 4.350 0.000 0.000 0.279 2215 E C 0.525 177.105 176.600 -0.035 0.000 1.068 2215 E CA -0.159 56.216 56.400 -0.041 0.000 0.882 2215 E CB 0.437 30.104 29.700 -0.055 0.000 1.039 2215 E HN 0.755 nan 8.360 nan 0.000 0.418 2219 T N 0.405 114.945 114.554 -0.025 0.000 2.925 2219 T HA 0.025 4.375 4.350 0.000 0.000 0.245 2219 T C 1.935 176.624 174.700 -0.017 0.000 1.025 2219 T CA 0.960 63.054 62.100 -0.010 0.000 1.149 2219 T CB 0.160 69.020 68.868 -0.015 0.000 0.866 2219 T HN -0.101 nan 8.240 nan 0.000 0.437 2220 V N 1.807 121.701 119.914 -0.033 0.000 2.358 2220 V HA -0.081 4.039 4.120 0.000 0.000 0.246 2220 V C 2.420 178.471 176.094 -0.071 0.000 1.047 2220 V CA 1.356 63.632 62.300 -0.040 0.000 1.035 2220 V CB -0.641 31.162 31.823 -0.035 0.000 0.658 2220 V HN 0.435 nan 8.190 nan 0.000 0.452 2221 I N 0.140 120.632 120.570 -0.129 0.000 2.127 2221 I HA -0.193 3.977 4.170 0.000 0.000 0.241 2221 I C -0.137 175.883 176.117 -0.161 0.000 1.075 2221 I CA 1.937 63.087 61.300 -0.250 0.000 1.334 2221 I CB -1.461 36.252 38.000 -0.480 0.000 1.040 2221 I HN 0.371 nan 8.210 nan 0.000 0.405 2222 P HA -0.094 nan 4.420 nan 0.000 0.216 2222 P C 1.977 179.255 177.300 -0.036 0.000 1.153 2222 P CA 1.062 64.143 63.100 -0.031 0.000 0.844 2222 P CB 0.068 31.808 31.700 0.067 0.000 0.787 2223 V N 0.576 120.476 119.914 -0.024 0.000 2.261 2223 V HA -0.257 3.864 4.120 0.000 0.000 0.246 2223 V C 2.299 178.384 176.094 -0.016 0.000 1.047 2223 V CA 2.315 64.606 62.300 -0.016 0.000 1.015 2223 V CB -1.170 30.646 31.823 -0.011 0.000 0.642 2223 V HN 0.174 nan 8.190 nan 0.000 0.446 2224 D N -0.018 120.369 120.400 -0.022 0.000 2.084 2224 D HA -0.098 4.542 4.640 0.000 0.000 0.194 2224 D C 1.210 177.511 176.300 0.000 0.000 0.990 2224 D CA 0.997 54.992 54.000 -0.008 0.000 0.826 2224 D CB -0.189 40.606 40.800 -0.009 0.000 0.971 2224 D HN 0.235 nan 8.370 nan 0.000 0.453 2228 R N 0.887 121.394 120.500 0.012 0.000 2.189 2228 R HA 0.104 4.444 4.340 0.000 0.000 0.223 2228 R C 1.727 178.035 176.300 0.013 0.000 1.092 2228 R CA 1.434 57.544 56.100 0.017 0.000 0.989 2228 R CB 0.050 30.366 30.300 0.028 0.000 0.876 2228 R HN 0.129 nan 8.270 nan 0.000 0.457 2229 A N -0.213 122.612 122.820 0.008 0.000 2.251 2229 A HA 0.232 4.552 4.320 0.000 0.000 0.209 2229 A C 1.385 178.970 177.584 0.002 0.000 1.187 2229 A CA 0.744 52.783 52.037 0.004 0.000 0.823 2229 A CB 0.054 19.053 19.000 -0.002 0.000 0.846 2229 A HN 0.411 nan 8.150 nan 0.000 0.486 2230 G N -0.941 107.861 108.800 0.003 0.000 2.157 2230 G HA2 -0.196 3.765 3.960 0.000 0.000 0.239 2230 G HA3 -0.196 3.765 3.960 0.000 0.000 0.239 2230 G C 0.075 174.976 174.900 0.002 0.000 0.982 2230 G CA 0.117 45.218 45.100 0.003 0.000 0.650 2230 G HN 0.440 nan 8.290 nan 0.000 0.527 2231 I N 0.930 121.501 120.570 0.003 0.000 2.441 2231 I HA 0.246 4.416 4.170 0.000 0.000 0.287 2231 I C 0.730 176.855 176.117 0.014 0.000 1.049 2231 I CA -0.315 60.988 61.300 0.006 0.000 1.381 2231 I CB 1.024 39.025 38.000 0.003 0.000 1.409 2231 I HN -0.059 nan 8.210 nan 0.000 0.523 2232 K N 5.463 125.875 120.400 0.020 0.000 2.310 2232 K HA 0.381 4.701 4.320 0.000 0.000 0.290 2232 K C -0.911 175.724 176.600 0.058 0.000 1.077 2232 K CA -0.276 56.029 56.287 0.030 0.000 0.922 2232 K CB 0.968 33.480 32.500 0.021 0.000 1.057 2232 K HN 0.333 nan 8.250 nan 0.000 0.479 2233 V N 2.811 122.756 119.914 0.051 0.000 2.513 2233 V HA 0.259 4.380 4.120 0.000 0.000 0.299 2233 V C -0.037 176.093 176.094 0.061 0.000 1.035 2233 V CA -0.727 61.608 62.300 0.058 0.000 0.889 2233 V CB 1.980 33.818 31.823 0.025 0.000 0.988 2233 V HN 0.689 nan 8.190 nan 0.000 0.440 2234 T N 3.780 118.375 114.554 0.069 0.000 2.809 2234 T HA 0.367 4.718 4.350 0.000 0.000 0.296 2234 T C -0.292 174.400 174.700 -0.015 0.000 1.015 2234 T CA -0.276 61.853 62.100 0.048 0.000 0.954 2234 T CB 1.293 70.228 68.868 0.112 0.000 0.950 2234 T HN 0.336 nan 8.240 nan 0.000 0.450 2235 V N 3.809 123.718 119.914 -0.008 0.000 2.356 2235 V HA 0.518 4.638 4.120 0.000 0.000 0.258 2235 V C 0.529 176.608 176.094 -0.026 0.000 1.065 2235 V CA -0.558 61.729 62.300 -0.021 0.000 0.935 2235 V CB 0.146 31.963 31.823 -0.010 0.000 1.061 2235 V HN 1.016 nan 8.190 nan 0.000 0.484 2236 A N 4.563 127.354 122.820 -0.048 0.000 2.260 2236 A HA 0.740 5.060 4.320 0.000 0.000 0.314 2236 A C 0.634 178.197 177.584 -0.035 0.000 1.257 2236 A CA -0.149 51.861 52.037 -0.045 0.000 0.871 2236 A CB 0.833 19.786 19.000 -0.079 0.000 1.166 2236 A HN 0.878 nan 8.150 nan 0.000 0.522 2237 G N 1.184 109.971 108.800 -0.022 0.000 2.380 2237 G HA2 0.398 4.358 3.960 0.000 0.000 0.262 2237 G HA3 0.398 4.358 3.960 0.000 0.000 0.262 2237 G C 0.694 175.584 174.900 -0.017 0.000 1.243 2237 G CA -0.293 44.797 45.100 -0.016 0.000 0.865 2237 G HN 0.838 nan 8.290 nan 0.000 0.513 2238 L N 3.514 124.729 121.223 -0.014 0.000 2.005 2238 L HA 0.022 4.362 4.340 0.000 0.000 0.207 2238 L C 2.811 179.676 176.870 -0.007 0.000 1.072 2238 L CA 2.776 57.609 54.840 -0.011 0.000 0.744 2238 L CB -0.530 41.527 42.059 -0.005 0.000 0.895 2238 L HN 0.538 nan 8.230 nan 0.000 0.433 2239 A N -1.605 121.212 122.820 -0.005 0.000 2.014 2239 A HA 0.444 4.764 4.320 0.000 0.000 0.218 2239 A C 1.324 178.906 177.584 -0.003 0.000 1.163 2239 A CA 1.198 53.233 52.037 -0.003 0.000 0.652 2239 A CB -0.689 18.310 19.000 -0.002 0.000 0.808 2239 A HN 0.641 nan 8.150 nan 0.000 0.449 2240 G N -1.615 107.183 108.800 -0.004 0.000 2.399 2240 G HA2 0.273 4.233 3.960 0.000 0.000 0.256 2240 G HA3 0.273 4.233 3.960 0.000 0.000 0.256 2240 G C -0.215 174.683 174.900 -0.003 0.000 1.236 2240 G CA -0.016 45.082 45.100 -0.003 0.000 0.914 2240 G HN 0.023 nan 8.290 nan 0.000 0.482 2241 K N 0.319 120.719 120.400 -0.001 0.000 2.393 2241 K HA 0.209 4.529 4.320 0.000 0.000 0.193 2241 K C -0.309 176.291 176.600 -0.001 0.000 1.026 2241 K CA -0.084 56.202 56.287 -0.001 0.000 1.064 2241 K CB 0.306 32.807 32.500 0.001 0.000 0.833 2241 K HN 0.307 nan 8.250 nan 0.000 0.521 2242 D N 2.439 122.838 120.400 -0.001 0.000 2.357 2242 D HA 0.118 4.758 4.640 0.000 0.000 0.242 2242 D C -2.288 174.011 176.300 -0.002 0.000 1.153 2242 D CA -1.575 52.425 54.000 -0.001 0.000 0.918 2242 D CB 0.414 41.214 40.800 -0.001 0.000 1.181 2242 D HN -0.142 nan 8.370 nan 0.000 0.435 2243 P HA -0.015 nan 4.420 nan 0.000 0.267 2243 P C -0.626 176.672 177.300 -0.004 0.000 1.201 2243 P CA -0.003 63.096 63.100 -0.003 0.000 0.775 2243 P CB 0.571 32.270 31.700 -0.002 0.000 0.854 2244 V N 2.646 122.557 119.914 -0.005 0.000 2.495 2244 V HA 0.272 4.392 4.120 0.000 0.000 0.298 2244 V C 0.097 176.187 176.094 -0.007 0.000 1.031 2244 V CA -0.525 61.772 62.300 -0.006 0.000 0.871 2244 V CB 1.403 33.221 31.823 -0.007 0.000 0.988 2244 V HN 0.469 nan 8.190 nan 0.000 0.432 2245 Q N 3.100 122.896 119.800 -0.007 0.000 2.314 2245 Q HA 0.334 4.674 4.340 0.000 0.000 0.257 2245 Q C -0.483 175.511 176.000 -0.010 0.000 0.975 2245 Q CA -0.361 55.438 55.803 -0.007 0.000 0.933 2245 Q CB 0.954 29.688 28.738 -0.007 0.000 1.195 2245 Q HN 0.887 nan 8.270 nan 0.000 0.426 2246 C N 1.464 120.758 119.300 -0.011 0.000 2.517 2246 C HA 0.169 4.629 4.460 0.000 0.000 0.357 2246 C C 2.235 177.216 174.990 -0.016 0.000 1.485 2246 C CA 0.092 59.101 59.018 -0.015 0.000 2.148 2246 C CB 0.852 28.583 27.740 -0.015 0.000 2.019 2246 C HN 1.094 nan 8.230 nan 0.000 0.576 2247 S N 0.530 116.217 115.700 -0.021 0.000 2.400 2247 S HA -0.158 4.312 4.470 0.000 0.000 0.232 2247 S C 1.163 175.751 174.600 -0.020 0.000 1.025 2247 S CA 1.455 59.640 58.200 -0.024 0.000 0.993 2247 S CB -0.269 62.910 63.200 -0.034 0.000 0.808 2247 S HN 0.719 nan 8.310 nan 0.000 0.478 2248 R N 1.020 121.509 120.500 -0.017 0.000 2.696 2248 R HA 0.319 4.659 4.340 0.000 0.000 0.355 2248 R C -0.454 175.841 176.300 -0.009 0.000 1.138 2248 R CA 0.150 56.242 56.100 -0.013 0.000 1.059 2248 R CB -0.432 29.861 30.300 -0.011 0.000 1.380 2248 R HN 0.247 nan 8.270 nan 0.000 0.578 2249 D N -1.493 118.901 120.400 -0.010 0.000 3.077 2249 D HA -0.161 4.479 4.640 0.000 0.000 0.217 2249 D C -0.461 175.836 176.300 -0.006 0.000 1.162 2249 D CA 0.785 54.780 54.000 -0.007 0.000 0.943 2249 D CB -1.385 39.411 40.800 -0.006 0.000 1.122 2249 D HN 0.062 nan 8.370 nan 0.000 0.413 2250 V N 0.952 120.863 119.914 -0.006 0.000 2.614 2250 V HA 0.188 4.309 4.120 0.000 0.000 0.291 2250 V C 0.915 177.006 176.094 -0.005 0.000 1.049 2250 V CA -0.318 61.979 62.300 -0.005 0.000 1.038 2250 V CB 1.879 33.699 31.823 -0.005 0.000 0.980 2250 V HN -0.057 nan 8.190 nan 0.000 0.481 2251 V N 7.045 126.957 119.914 -0.004 0.000 2.347 2251 V HA 0.458 4.579 4.120 0.000 0.000 0.280 2251 V C -0.035 176.056 176.094 -0.003 0.000 1.021 2251 V CA -0.288 62.010 62.300 -0.004 0.000 0.847 2251 V CB 1.299 33.120 31.823 -0.003 0.000 0.990 2251 V HN 0.616 nan 8.190 nan 0.000 0.444 2252 I N 3.870 124.438 120.570 -0.005 0.000 2.404 2252 I HA 0.392 4.562 4.170 0.000 0.000 0.293 2252 I C -0.316 175.799 176.117 -0.004 0.000 0.992 2252 I CA -0.340 60.958 61.300 -0.004 0.000 1.149 2252 I CB 1.788 39.785 38.000 -0.006 0.000 1.315 2252 I HN 0.492 nan 8.210 nan 0.000 0.446 2253 C N 7.631 126.930 119.300 -0.002 0.000 2.225 2253 C HA 0.331 4.791 4.460 0.000 0.000 0.328 2253 C C -1.533 173.456 174.990 -0.001 0.000 1.187 2253 C CA -1.248 57.769 59.018 -0.001 0.000 1.665 2253 C CB -0.536 27.204 27.740 0.000 0.000 2.253 2253 C HN 0.524 nan 8.230 nan 0.000 0.497 2254 P HA 0.078 nan 4.420 nan 0.000 0.270 2254 P C 0.231 177.531 177.300 0.000 0.000 1.223 2254 P CA 0.325 63.423 63.100 -0.004 0.000 0.785 2254 P CB 1.012 32.708 31.700 -0.007 0.000 0.923 2255 D N -0.233 120.169 120.400 0.002 0.000 2.224 2255 D HA 0.121 4.762 4.640 0.000 0.000 0.205 2255 D C 0.844 177.151 176.300 0.011 0.000 0.965 2255 D CA 1.237 55.242 54.000 0.009 0.000 0.852 2255 D CB 0.239 41.049 40.800 0.016 0.000 0.947 2255 D HN 0.549 nan 8.370 nan 0.000 0.494 2256 A N -0.193 122.631 122.820 0.007 0.000 2.540 2256 A HA 0.486 4.806 4.320 0.000 0.000 0.291 2256 A C -0.621 176.963 177.584 0.001 0.000 1.083 2256 A CA -0.532 51.510 52.037 0.009 0.000 0.650 2256 A CB 0.806 19.818 19.000 0.020 0.000 1.292 2256 A HN 0.021 nan 8.150 nan 0.000 0.435 2257 S N -0.313 115.388 115.700 0.002 0.000 2.617 2257 S HA 0.414 4.885 4.470 0.000 0.000 0.269 2257 S C 0.959 175.554 174.600 -0.008 0.000 1.292 2257 S CA 0.022 58.220 58.200 -0.004 0.000 1.010 2257 S CB 0.877 64.076 63.200 -0.001 0.000 0.944 2257 S HN 1.628 nan 8.310 nan 0.000 0.536 2258 L N 1.032 122.245 121.223 -0.018 0.000 2.131 2258 L HA -0.024 4.316 4.340 0.000 0.000 0.210 2258 L C 2.505 179.367 176.870 -0.014 0.000 1.092 2258 L CA 2.008 56.830 54.840 -0.029 0.000 0.759 2258 L CB -1.036 41.002 42.059 -0.035 0.000 0.903 2258 L HN 1.017 nan 8.230 nan 0.000 0.435 2259 E N -0.728 119.468 120.200 -0.006 0.000 2.070 2259 E HA -0.258 4.092 4.350 0.000 0.000 0.197 2259 E C 1.550 178.157 176.600 0.012 0.000 1.004 2259 E CA 1.812 58.212 56.400 0.001 0.000 0.805 2259 E CB 0.007 29.707 29.700 0.000 0.000 0.744 2259 E HN 0.581 nan 8.360 nan 0.000 0.451 2260 D N -0.315 120.095 120.400 0.016 0.000 2.162 2260 D HA -0.048 4.592 4.640 0.000 0.000 0.203 2260 D C 1.851 178.181 176.300 0.051 0.000 0.967 2260 D CA 1.042 55.058 54.000 0.027 0.000 0.840 2260 D CB -0.275 40.538 40.800 0.023 0.000 0.972 2260 D HN 0.267 nan 8.370 nan 0.000 0.482 2261 A N 1.497 124.347 122.820 0.051 0.000 1.940 2261 A HA -0.236 4.084 4.320 0.000 0.000 0.219 2261 A C 2.084 179.768 177.584 0.167 0.000 1.176 2261 A CA 1.620 53.716 52.037 0.099 0.000 0.631 2261 A CB -0.542 18.466 19.000 0.014 0.000 0.814 2261 A HN 0.122 nan 8.150 nan 0.000 0.446 2262 K N 0.041 120.495 120.400 0.089 0.000 2.103 2262 K HA -0.191 4.129 4.320 0.000 0.000 0.207 2262 K C 1.812 178.487 176.600 0.125 0.000 1.048 2262 K CA 1.757 58.110 56.287 0.111 0.000 0.930 2262 K CB -0.152 32.373 32.500 0.042 0.000 0.716 2262 K HN 0.552 nan 8.250 nan 0.000 0.444 2263 K N 0.453 120.902 120.400 0.082 0.000 2.211 2263 K HA -0.056 4.264 4.320 0.000 0.000 0.203 2263 K C 0.149 176.775 176.600 0.044 0.000 1.050 2263 K CA 0.628 56.946 56.287 0.052 0.000 0.945 2263 K CB 0.115 32.635 32.500 0.033 0.000 0.732 2263 K HN 0.046 nan 8.250 nan 0.000 0.451 2264 E N 1.781 122.025 120.200 0.074 0.000 1.852 2264 E HA 0.130 4.480 4.350 0.000 0.000 0.276 2264 E C 0.588 177.106 176.600 -0.137 0.000 1.163 2264 E CA 0.129 56.532 56.400 0.006 0.000 1.117 2264 E CB -0.507 29.223 29.700 0.050 0.000 1.124 2264 E HN 0.376 nan 8.360 nan 0.000 0.458 2265 G N 4.084 112.812 108.800 -0.120 0.000 2.915 2265 G HA2 -0.251 3.709 3.960 0.000 0.000 0.291 2265 G HA3 -0.251 3.709 3.960 0.000 0.000 0.291 2265 G C -2.459 172.274 174.900 -0.279 0.000 1.445 2265 G CA -0.953 44.038 45.100 -0.182 0.000 0.938 2265 G HN 0.320 nan 8.290 nan 0.000 0.556 2266 P HA 0.515 nan 4.420 nan 0.000 0.281 2266 P C -0.802 176.310 177.300 -0.314 0.000 1.249 2266 P CA -0.300 62.713 63.100 -0.145 0.000 0.810 2266 P CB 0.462 32.126 31.700 -0.060 0.000 1.008 2267 Y N -0.037 120.258 120.300 -0.009 0.000 2.409 2267 Y HA 0.204 4.754 4.550 0.000 0.000 0.339 2267 Y C 1.538 177.432 175.900 -0.010 0.000 1.033 2267 Y CA -0.112 57.983 58.100 -0.010 0.000 1.094 2267 Y CB 0.906 39.361 38.460 -0.008 0.000 1.210 2267 Y HN 0.366 nan 8.280 nan 0.000 0.456 2268 D N 1.135 121.600 120.400 0.107 0.000 2.348 2268 D HA -0.015 4.625 4.640 0.000 0.000 0.216 2268 D C -0.344 175.992 176.300 0.061 0.000 0.970 2268 D CA 1.036 55.070 54.000 0.057 0.000 0.889 2268 D CB 0.751 41.566 40.800 0.024 0.000 0.912 2268 D HN 0.204 nan 8.370 nan 0.000 0.524 2269 V N 0.469 120.438 119.914 0.093 0.000 2.950 2269 V HA 0.199 4.319 4.120 0.000 0.000 0.295 2269 V C -1.625 174.493 176.094 0.041 0.000 1.297 2269 V CA -0.725 61.604 62.300 0.049 0.000 0.962 2269 V CB 2.497 34.321 31.823 0.002 0.000 1.081 2269 V HN -0.274 nan 8.190 nan 0.000 0.432 2270 V N 6.795 126.720 119.914 0.017 0.000 2.384 2270 V HA 0.557 4.677 4.120 0.000 0.000 0.287 2270 V C -0.238 175.861 176.094 0.008 0.000 1.020 2270 V CA -0.509 61.779 62.300 -0.021 0.000 0.850 2270 V CB 1.766 33.578 31.823 -0.018 0.000 0.987 2270 V HN 0.668 nan 8.190 nan 0.000 0.436 2271 V N 6.812 126.728 119.914 0.002 0.000 2.398 2271 V HA 0.460 4.580 4.120 0.000 0.000 0.286 2271 V C -0.166 175.970 176.094 0.070 0.000 1.026 2271 V CA -0.485 61.856 62.300 0.068 0.000 0.868 2271 V CB 1.630 33.492 31.823 0.065 0.000 0.982 2271 V HN 0.637 nan 8.190 nan 0.000 0.443 2272 L N 7.602 128.888 121.223 0.104 0.000 2.277 2272 L HA 0.451 4.791 4.340 0.000 0.000 0.284 2272 L C -2.425 174.467 176.870 0.037 0.000 1.028 2272 L CA -1.621 53.253 54.840 0.057 0.000 0.835 2272 L CB 1.564 43.653 42.059 0.050 0.000 1.215 2272 L HN 0.414 nan 8.230 nan 0.000 0.425 2273 P HA 0.150 nan 4.420 nan 0.000 0.274 2273 P C 0.175 177.443 177.300 -0.053 0.000 1.260 2273 P CA -0.203 62.885 63.100 -0.020 0.000 0.793 2273 P CB 0.796 32.490 31.700 -0.010 0.000 1.048 2274 G N -1.388 107.362 108.800 -0.083 0.000 2.695 2274 G HA2 0.570 4.530 3.960 0.000 0.000 0.213 2274 G HA3 0.570 4.530 3.960 0.000 0.000 0.213 2274 G C -0.261 174.600 174.900 -0.065 0.000 1.406 2274 G CA -0.611 44.441 45.100 -0.080 0.000 1.049 2274 G HN 0.818 nan 8.290 nan 0.000 0.573 2275 G N -0.876 107.879 108.800 -0.075 0.000 3.421 2275 G HA2 -0.164 3.797 3.960 0.000 0.000 0.686 2275 G HA3 -0.164 3.797 3.960 0.000 0.000 0.686 2275 G C 0.544 175.408 174.900 -0.061 0.000 1.056 2275 G CA 0.262 45.320 45.100 -0.070 0.000 0.891 2275 G HN 0.586 nan 8.290 nan 0.000 0.514 2276 N N 0.459 119.117 118.700 -0.070 0.000 2.027 2276 N HA -0.226 4.514 4.740 0.000 0.000 0.200 2276 N C 2.455 177.943 175.510 -0.037 0.000 1.042 2276 N CA 1.892 54.909 53.050 -0.055 0.000 0.871 2276 N CB -0.176 38.275 38.487 -0.059 0.000 1.063 2276 N HN 0.711 nan 8.380 nan 0.000 0.438 2277 L N 1.293 122.496 121.223 -0.034 0.000 2.012 2277 L HA -0.052 4.288 4.340 0.000 0.000 0.210 2277 L C 2.273 179.131 176.870 -0.019 0.000 1.073 2277 L CA 2.112 56.938 54.840 -0.023 0.000 0.748 2277 L CB -1.298 40.749 42.059 -0.021 0.000 0.891 2277 L HN 0.208 nan 8.230 nan 0.000 0.431 2278 G N -1.104 107.683 108.800 -0.023 0.000 2.446 2278 G HA2 -0.292 3.668 3.960 0.000 0.000 0.217 2278 G HA3 -0.292 3.668 3.960 0.000 0.000 0.217 2278 G C 1.599 176.491 174.900 -0.013 0.000 1.168 2278 G CA 1.011 46.101 45.100 -0.017 0.000 0.771 2278 G HN 0.671 nan 8.290 nan 0.000 0.551 2279 A N -0.041 122.767 122.820 -0.021 0.000 1.933 2279 A HA -0.066 4.254 4.320 0.000 0.000 0.218 2279 A C 2.278 179.852 177.584 -0.016 0.000 1.175 2279 A CA 2.028 54.054 52.037 -0.019 0.000 0.628 2279 A CB -0.442 18.541 19.000 -0.028 0.000 0.814 2279 A HN 0.471 nan 8.150 nan 0.000 0.444 2280 Q N -0.187 119.603 119.800 -0.016 0.000 2.079 2280 Q HA -0.182 4.158 4.340 0.000 0.000 0.200 2280 Q C 1.895 177.895 176.000 -0.001 0.000 0.974 2280 Q CA 1.814 57.609 55.803 -0.013 0.000 0.840 2280 Q CB -0.197 28.533 28.738 -0.012 0.000 0.898 2280 Q HN 0.848 nan 8.270 nan 0.000 0.430 2281 N N -0.268 118.435 118.700 0.004 0.000 2.120 2281 N HA -0.153 4.587 4.740 0.000 0.000 0.188 2281 N C 1.814 177.347 175.510 0.038 0.000 1.024 2281 N CA 1.066 54.125 53.050 0.016 0.000 0.852 2281 N CB -0.057 38.435 38.487 0.010 0.000 1.003 2281 N HN 0.178 nan 8.380 nan 0.000 0.424 2282 L N 0.505 121.751 121.223 0.038 0.000 2.012 2282 L HA -0.185 4.155 4.340 0.000 0.000 0.210 2282 L C 2.310 179.265 176.870 0.143 0.000 1.073 2282 L CA 1.005 55.895 54.840 0.083 0.000 0.748 2282 L CB -0.481 41.614 42.059 0.060 0.000 0.891 2282 L HN 0.160 nan 8.230 nan 0.000 0.431 2283 S N -0.477 115.229 115.700 0.009 0.000 2.399 2283 S HA -0.182 4.288 4.470 0.000 0.000 0.231 2283 S C 1.641 176.229 174.600 -0.019 0.000 1.022 2283 S CA 1.271 59.376 58.200 -0.159 0.000 0.983 2283 S CB -0.212 62.906 63.200 -0.137 0.000 0.803 2283 S HN 0.481 nan 8.310 nan 0.000 0.480 2284 E N 0.816 121.056 120.200 0.067 0.000 2.489 2284 E HA 0.126 4.477 4.350 0.000 0.000 0.193 2284 E C 0.268 176.945 176.600 0.129 0.000 1.057 2284 E CA -0.175 56.279 56.400 0.089 0.000 0.866 2284 E CB 0.306 30.033 29.700 0.044 0.000 0.916 2284 E HN 0.157 nan 8.360 nan 0.000 0.500 2285 S N 0.292 116.098 115.700 0.176 0.000 2.439 2285 S HA 0.348 4.818 4.470 0.000 0.000 0.282 2285 S C 1.031 175.648 174.600 0.029 0.000 1.170 2285 S CA -0.215 58.040 58.200 0.092 0.000 1.054 2285 S CB 1.116 64.351 63.200 0.058 0.000 0.956 2285 S HN 0.256 nan 8.310 nan 0.000 0.490 2286 A N 5.400 128.220 122.820 -0.001 0.000 1.972 2286 A HA 0.118 4.438 4.320 0.000 0.000 0.219 2286 A C 2.331 179.850 177.584 -0.108 0.000 1.169 2286 A CA 1.645 53.651 52.037 -0.053 0.000 0.635 2286 A CB -1.121 17.866 19.000 -0.021 0.000 0.810 2286 A HN 1.160 nan 8.150 nan 0.000 0.446 2287 A N -0.522 122.254 122.820 -0.074 0.000 1.902 2287 A HA -0.023 4.297 4.320 0.000 0.000 0.217 2287 A C 2.184 179.697 177.584 -0.118 0.000 1.181 2287 A CA 1.850 53.843 52.037 -0.074 0.000 0.623 2287 A CB -0.811 18.164 19.000 -0.042 0.000 0.818 2287 A HN 0.400 nan 8.150 nan 0.000 0.443 2288 V N 0.046 119.870 119.914 -0.150 0.000 2.548 2288 V HA -0.203 3.917 4.120 0.000 0.000 0.249 2288 V C 2.462 178.307 176.094 -0.415 0.000 1.055 2288 V CA 2.128 64.316 62.300 -0.186 0.000 1.065 2288 V CB -0.592 31.206 31.823 -0.042 0.000 0.681 2288 V HN 0.656 nan 8.190 nan 0.000 0.462 2289 K N 0.410 120.371 120.400 -0.732 0.000 2.032 2289 K HA -0.269 4.051 4.320 0.000 0.000 0.209 2289 K C 2.261 178.687 176.600 -0.291 0.000 1.048 2289 K CA 2.122 57.953 56.287 -0.759 0.000 0.927 2289 K CB -0.160 32.028 32.500 -0.520 0.000 0.712 2289 K HN 0.599 nan 8.250 nan 0.000 0.441 2290 E N 0.728 120.810 120.200 -0.197 0.000 2.038 2290 E HA -0.221 4.129 4.350 0.000 0.000 0.195 2290 E C 2.082 178.631 176.600 -0.085 0.000 1.000 2290 E CA 1.629 57.964 56.400 -0.108 0.000 0.803 2290 E CB -0.187 29.467 29.700 -0.077 0.000 0.750 2290 E HN 0.370 nan 8.360 nan 0.000 0.448 2291 I N 1.102 121.619 120.570 -0.088 0.000 2.151 2291 I HA -0.332 3.838 4.170 0.000 0.000 0.243 2291 I C 2.588 178.680 176.117 -0.043 0.000 1.080 2291 I CA 1.120 62.387 61.300 -0.054 0.000 1.339 2291 I CB -0.292 37.670 38.000 -0.063 0.000 1.039 2291 I HN 0.246 nan 8.210 nan 0.000 0.409 2292 L N 0.056 121.242 121.223 -0.062 0.000 2.046 2292 L HA -0.191 4.149 4.340 0.000 0.000 0.208 2292 L C 2.665 179.523 176.870 -0.021 0.000 1.077 2292 L CA 1.112 55.938 54.840 -0.023 0.000 0.747 2292 L CB -0.640 41.423 42.059 0.006 0.000 0.896 2292 L HN 0.188 nan 8.230 nan 0.000 0.432 2293 K N 0.279 120.652 120.400 -0.045 0.000 2.057 2293 K HA -0.222 4.098 4.320 0.000 0.000 0.207 2293 K C 1.928 178.513 176.600 -0.025 0.000 1.049 2293 K CA 1.423 57.686 56.287 -0.040 0.000 0.931 2293 K CB -0.224 32.244 32.500 -0.054 0.000 0.714 2293 K HN 0.386 nan 8.250 nan 0.000 0.440 2294 E N 0.767 120.955 120.200 -0.020 0.000 2.051 2294 E HA -0.256 4.094 4.350 0.000 0.000 0.192 2294 E C 2.097 178.701 176.600 0.007 0.000 0.991 2294 E CA 1.268 57.664 56.400 -0.005 0.000 0.799 2294 E CB 0.060 29.761 29.700 0.001 0.000 0.748 2294 E HN 0.131 nan 8.360 nan 0.000 0.449 2295 Q N 1.196 121.004 119.800 0.014 0.000 2.061 2295 Q HA -0.241 4.099 4.340 0.000 0.000 0.204 2295 Q C 1.935 177.946 176.000 0.020 0.000 0.984 2295 Q CA 2.331 58.150 55.803 0.027 0.000 0.846 2295 Q CB -0.242 28.515 28.738 0.032 0.000 0.902 2295 Q HN 0.422 nan 8.270 nan 0.000 0.421 2296 E N -0.416 119.792 120.200 0.013 0.000 2.077 2296 E HA -0.246 4.105 4.350 0.000 0.000 0.193 2296 E C 1.824 178.426 176.600 0.005 0.000 0.989 2296 E CA 1.297 57.703 56.400 0.011 0.000 0.800 2296 E CB -0.323 29.379 29.700 0.003 0.000 0.746 2296 E HN 0.588 nan 8.360 nan 0.000 0.452 2297 N N 0.167 118.865 118.700 -0.002 0.000 2.244 2297 N HA -0.160 4.580 4.740 0.000 0.000 0.183 2297 N C 1.749 177.260 175.510 0.001 0.000 1.016 2297 N CA 0.803 53.851 53.050 -0.004 0.000 0.866 2297 N CB -0.011 38.470 38.487 -0.010 0.000 0.980 2297 N HN 0.151 nan 8.380 nan 0.000 0.430 2298 R N 0.516 121.020 120.500 0.006 0.000 2.335 2298 R HA 0.103 4.444 4.340 0.000 0.000 0.223 2298 R C -0.296 176.010 176.300 0.010 0.000 0.940 2298 R CA -0.041 56.063 56.100 0.007 0.000 1.086 2298 R CB 0.230 30.535 30.300 0.009 0.000 1.073 2298 R HN -0.134 nan 8.270 nan 0.000 0.504 2299 K N 0.031 120.438 120.400 0.012 0.000 3.150 2299 K HA -0.120 4.200 4.320 0.000 0.000 0.267 2299 K C -0.168 176.442 176.600 0.017 0.000 1.028 2299 K CA 1.176 57.471 56.287 0.014 0.000 0.753 2299 K CB -2.071 30.435 32.500 0.011 0.000 1.288 2299 K HN 0.647 nan 8.250 nan 0.000 0.473 2300 G N 0.147 108.960 108.800 0.022 0.000 2.417 2300 G HA2 0.580 4.540 3.960 0.000 0.000 0.334 2300 G HA3 0.580 4.540 3.960 0.000 0.000 0.334 2300 G C -0.443 174.475 174.900 0.029 0.000 1.150 2300 G CA -0.933 44.183 45.100 0.028 0.000 0.923 2300 G HN 0.175 nan 8.290 nan 0.000 0.485 2301 L N 1.191 122.430 121.223 0.026 0.000 2.453 2301 L HA 0.473 4.814 4.340 0.000 0.000 0.272 2301 L C -0.176 176.712 176.870 0.029 0.000 1.182 2301 L CA 0.145 54.999 54.840 0.022 0.000 0.858 2301 L CB 0.303 42.366 42.059 0.006 0.000 1.120 2301 L HN 0.339 nan 8.230 nan 0.000 0.474 2302 I N 4.918 125.510 120.570 0.038 0.000 2.498 2302 I HA 0.638 4.809 4.170 0.000 0.000 0.290 2302 I C -0.477 175.683 176.117 0.071 0.000 1.032 2302 I CA -0.642 60.689 61.300 0.051 0.000 1.073 2302 I CB 1.804 39.840 38.000 0.059 0.000 1.251 2302 I HN 0.754 nan 8.210 nan 0.000 0.426 2303 A N 5.014 127.894 122.820 0.099 0.000 2.374 2303 A HA 0.946 5.266 4.320 0.000 0.000 0.305 2303 A C -0.970 176.815 177.584 0.334 0.000 1.053 2303 A CA -0.487 51.676 52.037 0.212 0.000 0.726 2303 A CB 1.603 20.640 19.000 0.062 0.000 1.229 2303 A HN 0.810 nan 8.150 nan 0.000 0.431 2304 A N 2.242 125.239 122.820 0.295 0.000 2.422 2304 A HA 0.799 5.119 4.320 0.000 0.000 0.302 2304 A C -0.947 176.514 177.584 -0.204 0.000 1.041 2304 A CA -0.357 51.726 52.037 0.077 0.000 0.708 2304 A CB 0.990 20.006 19.000 0.028 0.000 1.257 2304 A HN 1.384 nan 8.150 nan 0.000 0.414 2305 I N 1.408 121.728 120.570 -0.416 0.000 2.892 2305 I HA 0.550 4.720 4.170 0.000 0.000 0.306 2305 I C 0.940 176.896 176.117 -0.269 0.000 1.078 2305 I CA -0.076 60.883 61.300 -0.568 0.000 1.032 2305 I CB 1.734 39.091 38.000 -1.071 0.000 1.229 2305 I HN 1.347 nan 8.210 nan 0.000 0.435 2306 C N 3.680 122.871 119.300 -0.182 0.000 1.690 2306 C HA -0.349 4.111 4.460 0.000 0.000 0.095 2306 C C 2.140 177.119 174.990 -0.018 0.000 0.715 2306 C CA 1.267 60.255 59.018 -0.049 0.000 0.789 2306 C CB -1.709 25.986 27.740 -0.075 0.000 3.214 2306 C HN 1.061 nan 8.230 nan 0.000 1.074 2307 A N 0.805 123.600 122.820 -0.042 0.000 2.195 2307 A HA 0.426 4.746 4.320 0.000 0.000 0.210 2307 A C 2.167 179.729 177.584 -0.038 0.000 1.165 2307 A CA 1.934 53.953 52.037 -0.029 0.000 0.806 2307 A CB -0.980 17.992 19.000 -0.046 0.000 0.847 2307 A HN 2.035 nan 8.150 nan 0.000 0.482 2308 G N 1.380 110.145 108.800 -0.059 0.000 2.505 2308 G HA2 -0.228 3.733 3.960 0.000 0.000 0.220 2308 G HA3 -0.228 3.733 3.960 0.000 0.000 0.220 2308 G C -0.291 174.590 174.900 -0.033 0.000 1.145 2308 G CA 1.414 46.485 45.100 -0.048 0.000 0.761 2308 G HN 0.500 nan 8.290 nan 0.000 0.571 2309 P HA -0.082 nan 4.420 nan 0.000 0.219 2309 P C 2.233 179.508 177.300 -0.041 0.000 1.146 2309 P CA 1.973 65.040 63.100 -0.056 0.000 0.808 2309 P CB -0.338 31.304 31.700 -0.097 0.000 0.779 2310 T N -3.113 111.427 114.554 -0.022 0.000 2.946 2310 T HA -0.109 4.241 4.350 0.000 0.000 0.271 2310 T C 1.784 176.477 174.700 -0.013 0.000 1.104 2310 T CA 1.170 63.271 62.100 0.001 0.000 1.114 2310 T CB -1.002 67.866 68.868 0.001 0.000 0.867 2310 T HN 0.021 nan 8.240 nan 0.000 0.513 2311 A N 1.248 124.048 122.820 -0.032 0.000 2.014 2311 A HA 0.294 4.614 4.320 0.000 0.000 0.218 2311 A C 2.358 179.903 177.584 -0.065 0.000 1.163 2311 A CA 0.770 52.749 52.037 -0.096 0.000 0.652 2311 A CB -0.647 18.345 19.000 -0.014 0.000 0.808 2311 A HN 0.568 nan 8.150 nan 0.000 0.449 2312 L N -0.992 120.263 121.223 0.053 0.000 2.109 2312 L HA -0.122 4.219 4.340 0.000 0.000 0.207 2312 L C 2.508 179.539 176.870 0.269 0.000 1.086 2312 L CA 0.933 55.865 54.840 0.153 0.000 0.760 2312 L CB -0.528 41.618 42.059 0.145 0.000 0.910 2312 L HN 0.478 nan 8.230 nan 0.000 0.437 2313 L N 0.513 121.919 121.223 0.306 0.000 2.027 2313 L HA -0.102 4.239 4.340 0.000 0.000 0.206 2313 L C 2.656 179.672 176.870 0.242 0.000 1.074 2313 L CA 2.038 57.152 54.840 0.457 0.000 0.745 2313 L CB -0.800 41.484 42.059 0.375 0.000 0.898 2313 L HN 0.112 nan 8.230 nan 0.000 0.433 2314 A N -1.062 121.777 122.820 0.032 0.000 1.908 2314 A HA -0.260 4.060 4.320 0.000 0.000 0.218 2314 A C 1.936 179.462 177.584 -0.097 0.000 1.181 2314 A CA 2.060 54.034 52.037 -0.105 0.000 0.627 2314 A CB -1.166 17.648 19.000 -0.311 0.000 0.818 2314 A HN 0.781 nan 8.150 nan 0.000 0.445 2315 H N -1.060 118.045 119.070 0.058 0.000 2.517 2315 H HA 0.274 4.830 4.556 0.000 0.000 0.282 2315 H C -0.416 174.862 175.328 -0.084 0.000 1.023 2315 H CA 0.015 56.061 56.048 -0.003 0.000 1.169 2315 H CB 0.063 29.824 29.762 -0.002 0.000 1.454 2315 H HN 0.586 nan 8.280 nan 0.000 0.556 2316 E N 1.012 121.196 120.200 -0.026 0.000 2.297 2316 E HA -0.178 4.172 4.350 0.000 0.000 0.228 2316 E C -0.725 175.524 176.600 -0.586 0.000 1.213 2316 E CA -0.059 56.029 56.400 -0.521 0.000 0.712 2316 E CB -0.824 28.545 29.700 -0.553 0.000 1.202 2316 E HN 0.430 nan 8.360 nan 0.000 0.376 2317 I N 0.417 120.894 120.570 -0.155 0.000 2.353 2317 I HA 0.244 4.414 4.170 0.000 0.000 0.293 2317 I C 1.605 177.801 176.117 0.131 0.000 0.992 2317 I CA 0.678 61.957 61.300 -0.035 0.000 1.268 2317 I CB 0.896 38.945 38.000 0.082 0.000 1.387 2317 I HN 0.359 nan 8.210 nan 0.000 0.478 2318 G N 6.034 114.883 108.800 0.082 0.000 2.323 2318 G HA2 -0.286 3.674 3.960 0.000 0.000 0.292 2318 G HA3 -0.286 3.674 3.960 0.000 0.000 0.292 2318 G C 0.206 175.350 174.900 0.405 0.000 1.040 2318 G CA -0.194 45.039 45.100 0.222 0.000 0.942 2318 G HN 0.557 nan 8.290 nan 0.000 0.506 2319 F N -0.426 119.523 119.950 -0.001 0.000 2.563 2319 F HA 0.324 4.851 4.527 0.000 0.000 0.363 2319 F C 1.759 177.524 175.800 -0.058 0.000 1.123 2319 F CA 0.730 58.606 58.000 -0.207 0.000 1.307 2319 F CB 1.016 39.879 39.000 -0.229 0.000 1.115 2319 F HN 0.602 nan 8.300 nan 0.000 0.592 2320 G N 1.927 110.779 108.800 0.087 0.000 2.175 2320 G HA2 -0.258 3.702 3.960 0.000 0.000 0.244 2320 G HA3 -0.258 3.702 3.960 0.000 0.000 0.244 2320 G C -0.033 174.963 174.900 0.161 0.000 0.982 2320 G CA -0.038 45.125 45.100 0.105 0.000 0.641 2320 G HN 0.593 nan 8.290 nan 0.000 0.527 2321 S N -0.044 115.822 115.700 0.276 0.000 2.652 2321 S HA 0.546 5.017 4.470 0.000 0.000 0.270 2321 S C 0.301 175.045 174.600 0.240 0.000 1.243 2321 S CA -0.319 58.034 58.200 0.254 0.000 0.999 2321 S CB 1.726 65.094 63.200 0.279 0.000 0.973 2321 S HN 0.492 nan 8.310 nan 0.000 0.544 2322 K N 1.800 122.277 120.400 0.129 0.000 2.227 2322 K HA 0.537 4.858 4.320 0.000 0.000 0.280 2322 K C -0.726 175.879 176.600 0.008 0.000 1.041 2322 K CA -0.445 55.883 56.287 0.068 0.000 0.905 2322 K CB 0.402 32.921 32.500 0.032 0.000 1.068 2322 K HN 0.500 nan 8.250 nan 0.000 0.470 2323 V N -0.558 119.316 119.914 -0.067 0.000 3.181 2323 V HA 0.684 4.804 4.120 0.000 0.000 0.308 2323 V C -0.846 175.028 176.094 -0.366 0.000 1.214 2323 V CA -0.768 61.428 62.300 -0.173 0.000 1.053 2323 V CB 1.705 33.382 31.823 -0.244 0.000 1.069 2323 V HN 0.780 nan 8.190 nan 0.000 0.441 2324 T N 0.656 115.003 114.554 -0.344 0.000 2.883 2324 T HA 0.924 5.274 4.350 0.000 0.000 0.296 2324 T C -0.480 174.100 174.700 -0.200 0.000 1.117 2324 T CA 0.512 62.319 62.100 -0.487 0.000 1.006 2324 T CB 1.866 70.526 68.868 -0.347 0.000 1.191 2324 T HN 1.928 nan 8.240 nan 0.000 0.508 2325 T N -0.457 114.063 114.554 -0.055 0.000 2.665 2325 T HA 0.470 4.820 4.350 0.000 0.000 0.303 2325 T C -0.691 174.066 174.700 0.095 0.000 1.334 2325 T CA -0.764 61.368 62.100 0.053 0.000 1.011 2325 T CB 0.562 69.515 68.868 0.142 0.000 1.573 2325 T HN 0.827 nan 8.240 nan 0.000 0.492 2326 H N 1.192 120.271 119.070 0.015 0.000 2.871 2326 H HA 0.295 4.851 4.556 0.000 0.000 0.355 2326 H C -1.793 173.571 175.328 0.061 0.000 1.092 2326 H CA -0.656 55.401 56.048 0.016 0.000 1.420 2326 H CB 0.938 30.693 29.762 -0.012 0.000 1.400 2326 H HN 0.282 nan 8.280 nan 0.000 0.604 2327 P HA -0.184 nan 4.420 nan 0.000 0.217 2327 P C 1.138 178.472 177.300 0.058 0.000 1.148 2327 P CA 1.405 64.460 63.100 -0.075 0.000 0.828 2327 P CB 0.162 31.755 31.700 -0.179 0.000 0.783 2328 L N -2.055 119.332 121.223 0.274 0.000 2.551 2328 L HA 0.017 4.357 4.340 0.000 0.000 0.228 2328 L C 1.962 178.891 176.870 0.097 0.000 1.153 2328 L CA 0.719 55.671 54.840 0.186 0.000 0.851 2328 L CB -0.613 41.570 42.059 0.207 0.000 0.959 2328 L HN -0.031 nan 8.230 nan 0.000 0.451 2329 A N -0.691 122.198 122.820 0.114 0.000 2.348 2329 A HA -0.004 4.317 4.320 0.000 0.000 0.224 2329 A C 2.191 179.787 177.584 0.021 0.000 1.227 2329 A CA -0.031 52.042 52.037 0.060 0.000 0.885 2329 A CB -0.014 19.031 19.000 0.076 0.000 0.933 2329 A HN 0.209 nan 8.150 nan 0.000 0.506 2330 K N 0.639 121.016 120.400 -0.039 0.000 2.001 2330 K HA -0.240 4.080 4.320 0.000 0.000 0.214 2330 K C 1.223 177.704 176.600 -0.199 0.000 1.050 2330 K CA 2.032 58.167 56.287 -0.253 0.000 0.934 2330 K CB -0.233 31.956 32.500 -0.518 0.000 0.718 2330 K HN 0.375 nan 8.250 nan 0.000 0.443 2331 D N 1.006 121.325 120.400 -0.136 0.000 2.106 2331 D HA -0.170 4.470 4.640 0.000 0.000 0.191 2331 D C 0.995 177.268 176.300 -0.046 0.000 0.997 2331 D CA 1.011 54.956 54.000 -0.092 0.000 0.834 2331 D CB -0.130 40.632 40.800 -0.064 0.000 0.956 2331 D HN 0.291 nan 8.370 nan 0.000 0.448 2336 G N 1.351 110.040 108.800 -0.185 0.000 2.179 2336 G HA2 0.012 3.972 3.960 0.000 0.000 0.220 2336 G HA3 0.012 3.972 3.960 0.000 0.000 0.220 2336 G C 0.800 175.279 174.900 -0.702 0.000 0.990 2336 G CA 0.526 45.380 45.100 -0.410 0.000 0.646 2336 G HN 1.688 nan 8.290 nan 0.000 0.517 2337 G N -0.069 108.478 108.800 -0.423 0.000 2.366 2337 G HA2 -0.277 3.684 3.960 0.000 0.000 0.299 2337 G HA3 -0.277 3.684 3.960 0.000 0.000 0.299 2337 G C 0.501 175.106 174.900 -0.491 0.000 1.020 2337 G CA 1.037 45.930 45.100 -0.345 0.000 1.026 2337 G HN 1.008 nan 8.290 nan 0.000 0.512 2338 H N -1.724 117.079 119.070 -0.445 0.000 2.529 2338 H HA 0.307 4.863 4.556 0.000 0.000 0.277 2338 H C 0.311 175.119 175.328 -0.867 0.000 1.004 2338 H CA 0.626 56.146 56.048 -0.880 0.000 1.167 2338 H CB 0.401 29.067 29.762 -1.826 0.000 1.445 2338 H HN 0.629 nan 8.280 nan 0.000 0.554 2339 Y N -0.918 119.362 120.300 -0.033 0.000 2.655 2339 Y HA 0.286 4.836 4.550 0.000 0.000 0.336 2339 Y C 0.227 176.154 175.900 0.045 0.000 1.154 2339 Y CA -0.994 57.130 58.100 0.041 0.000 1.055 2339 Y CB 1.252 39.761 38.460 0.082 0.000 1.295 2339 Y HN -0.301 nan 8.280 nan 0.000 0.465 2340 T N 1.444 116.144 114.554 0.244 0.000 2.767 2340 T HA 0.268 4.618 4.350 0.000 0.000 0.284 2340 T C -1.330 173.473 174.700 0.171 0.000 0.973 2340 T CA -0.381 61.814 62.100 0.158 0.000 0.996 2340 T CB -0.007 68.921 68.868 0.101 0.000 0.927 2340 T HN 0.387 nan 8.240 nan 0.000 0.456 2341 Y N 2.586 122.916 120.300 0.050 0.000 2.309 2341 Y HA 0.491 5.041 4.550 0.000 0.000 0.327 2341 Y C 0.533 176.440 175.900 0.013 0.000 1.172 2341 Y CA 0.007 58.122 58.100 0.024 0.000 1.280 2341 Y CB 0.992 39.459 38.460 0.012 0.000 1.234 2341 Y HN 0.567 nan 8.280 nan 0.000 0.512 2342 S N 3.078 118.418 115.700 -0.599 0.000 2.542 2342 S HA 0.328 4.798 4.470 0.000 0.000 0.293 2342 S C -0.098 174.246 174.600 -0.427 0.000 1.089 2342 S CA -0.649 57.341 58.200 -0.350 0.000 0.961 2342 S CB 1.631 64.689 63.200 -0.238 0.000 1.062 2342 S HN 0.763 nan 8.310 nan 0.000 0.483 2343 E N 2.102 122.208 120.200 -0.156 0.000 2.481 2343 E HA 0.279 4.629 4.350 0.000 0.000 0.198 2343 E C -0.257 176.297 176.600 -0.076 0.000 1.027 2343 E CA 0.011 56.364 56.400 -0.079 0.000 0.900 2343 E CB 0.076 29.780 29.700 0.005 0.000 0.993 2343 E HN 0.716 nan 8.360 nan 0.000 0.482 2344 N N 0.533 119.180 118.700 -0.089 0.000 2.492 2344 N HA 0.032 4.772 4.740 0.000 0.000 0.262 2344 N C 0.742 176.221 175.510 -0.052 0.000 1.202 2344 N CA -0.157 52.861 53.050 -0.054 0.000 0.926 2344 N CB 0.695 39.155 38.487 -0.044 0.000 1.078 2344 N HN 0.054 nan 8.380 nan 0.000 0.454 2345 R N 0.863 121.349 120.500 -0.023 0.000 2.139 2345 R HA -0.088 4.252 4.340 0.000 0.000 0.243 2345 R C -0.023 176.281 176.300 0.006 0.000 1.145 2345 R CA 0.868 56.963 56.100 -0.009 0.000 0.976 2345 R CB 0.006 30.314 30.300 0.014 0.000 0.866 2345 R HN 0.323 nan 8.270 nan 0.000 0.449 2346 V N 0.507 120.432 119.914 0.018 0.000 2.686 2346 V HA 0.224 4.344 4.120 0.000 0.000 0.306 2346 V C -1.062 175.045 176.094 0.021 0.000 1.065 2346 V CA -0.888 61.444 62.300 0.053 0.000 0.894 2346 V CB 2.195 34.074 31.823 0.092 0.000 1.004 2346 V HN -0.013 nan 8.190 nan 0.000 0.424 2347 E N 3.436 123.647 120.200 0.018 0.000 2.238 2347 E HA 0.647 4.997 4.350 0.000 0.000 0.267 2347 E C -1.043 175.570 176.600 0.022 0.000 0.887 2347 E CA -0.729 55.667 56.400 -0.006 0.000 0.769 2347 E CB 1.999 31.664 29.700 -0.059 0.000 1.187 2347 E HN 0.587 nan 8.360 nan 0.000 0.416 2348 K N 3.215 123.625 120.400 0.017 0.000 2.637 2348 K HA 0.272 4.593 4.320 0.000 0.000 0.248 2348 K C -1.716 174.899 176.600 0.025 0.000 0.971 2348 K CA -0.568 55.734 56.287 0.026 0.000 0.858 2348 K CB 0.950 33.463 32.500 0.022 0.000 1.170 2348 K HN 0.415 nan 8.250 nan 0.000 0.443 2349 D N 3.804 124.225 120.400 0.035 0.000 2.464 2349 D HA 0.322 4.962 4.640 0.000 0.000 0.243 2349 D C 0.776 177.104 176.300 0.047 0.000 1.104 2349 D CA 0.986 55.012 54.000 0.043 0.000 0.883 2349 D CB 1.110 41.946 40.800 0.059 0.000 1.050 2349 D HN 0.846 nan 8.370 nan 0.000 0.524 2350 G N 3.633 112.455 108.800 0.036 0.000 2.620 2350 G HA2 -0.315 3.646 3.960 0.000 0.000 0.315 2350 G HA3 -0.315 3.646 3.960 0.000 0.000 0.315 2350 G C 0.742 175.661 174.900 0.032 0.000 1.179 2350 G CA 0.514 45.634 45.100 0.034 0.000 0.971 2350 G HN 0.533 nan 8.290 nan 0.000 0.544 2351 L N 1.110 122.355 121.223 0.038 0.000 2.741 2351 L HA 0.425 4.765 4.340 0.000 0.000 0.237 2351 L C -0.011 176.886 176.870 0.046 0.000 1.178 2351 L CA -0.308 54.553 54.840 0.035 0.000 0.973 2351 L CB 0.272 42.350 42.059 0.032 0.000 1.255 2351 L HN 0.228 nan 8.230 nan 0.000 0.498 2352 I N 1.675 122.278 120.570 0.055 0.000 2.354 2352 I HA 0.290 4.460 4.170 0.000 0.000 0.286 2352 I C -0.545 175.608 176.117 0.060 0.000 1.007 2352 I CA -0.232 61.108 61.300 0.067 0.000 1.167 2352 I CB 1.909 39.962 38.000 0.089 0.000 1.320 2352 I HN 0.022 nan 8.210 nan 0.000 0.458 2353 L N 7.857 129.125 121.223 0.074 0.000 2.319 2353 L HA 0.581 4.921 4.340 0.000 0.000 0.281 2353 L C 0.032 177.010 176.870 0.179 0.000 1.005 2353 L CA -0.065 54.836 54.840 0.101 0.000 0.828 2353 L CB 1.529 43.631 42.059 0.071 0.000 1.227 2353 L HN 0.749 nan 8.230 nan 0.000 0.415 2354 T N 0.468 115.096 114.554 0.124 0.000 2.930 2354 T HA 0.738 5.088 4.350 0.000 0.000 0.290 2354 T C -0.478 174.252 174.700 0.049 0.000 1.052 2354 T CA -0.737 61.404 62.100 0.068 0.000 1.017 2354 T CB 2.027 70.866 68.868 -0.049 0.000 1.137 2354 T HN 0.483 nan 8.240 nan 0.000 0.511 2355 S N -1.427 114.208 115.700 -0.110 0.000 2.625 2355 S HA 0.461 4.931 4.470 0.000 0.000 0.271 2355 S C 0.566 175.069 174.600 -0.162 0.000 1.161 2355 S CA -0.889 57.233 58.200 -0.130 0.000 0.820 2355 S CB 1.726 64.809 63.200 -0.194 0.000 1.137 2355 S HN 0.706 nan 8.310 nan 0.000 0.470 2356 R N 0.763 121.201 120.500 -0.103 0.000 2.066 2356 R HA 0.283 4.623 4.340 0.000 0.000 0.224 2356 R C 1.143 177.437 176.300 -0.010 0.000 1.122 2356 R CA 1.021 57.081 56.100 -0.066 0.000 0.974 2356 R CB -0.571 29.689 30.300 -0.067 0.000 0.871 2356 R HN 0.707 nan 8.270 nan 0.000 0.435 2357 G N -1.085 107.706 108.800 -0.016 0.000 2.490 2357 G HA2 0.226 4.186 3.960 0.000 0.000 0.308 2357 G HA3 0.226 4.186 3.960 0.000 0.000 0.308 2357 G C -2.511 172.390 174.900 0.001 0.000 1.286 2357 G CA -0.799 44.327 45.100 0.043 0.000 0.825 2357 G HN -0.252 nan 8.290 nan 0.000 0.479 2358 P HA -0.066 nan 4.420 nan 0.000 0.216 2358 P C 1.927 179.257 177.300 0.050 0.000 1.154 2358 P CA 2.158 65.264 63.100 0.011 0.000 0.865 2358 P CB 0.082 31.793 31.700 0.019 0.000 0.789 2359 G N -1.571 107.271 108.800 0.070 0.000 2.679 2359 G HA2 -0.137 3.824 3.960 0.000 0.000 0.212 2359 G HA3 -0.137 3.824 3.960 0.000 0.000 0.212 2359 G C 1.055 176.024 174.900 0.114 0.000 1.137 2359 G CA 1.281 46.441 45.100 0.099 0.000 0.787 2359 G HN 0.407 nan 8.290 nan 0.000 0.534 2360 T N -3.690 110.914 114.554 0.083 0.000 3.085 2360 T HA 0.243 4.594 4.350 0.000 0.000 0.264 2360 T C 2.084 176.861 174.700 0.128 0.000 1.019 2360 T CA 0.679 62.837 62.100 0.097 0.000 0.910 2360 T CB 0.400 69.294 68.868 0.044 0.000 1.059 2360 T HN -0.005 nan 8.240 nan 0.000 0.542 2361 S N 1.406 117.157 115.700 0.085 0.000 2.370 2361 S HA -0.009 4.462 4.470 0.000 0.000 0.226 2361 S C 1.249 175.889 174.600 0.067 0.000 1.033 2361 S CA 1.310 59.538 58.200 0.047 0.000 1.011 2361 S CB -0.547 62.587 63.200 -0.109 0.000 0.852 2361 S HN 0.567 nan 8.310 nan 0.000 0.457 2362 F N 1.655 121.668 119.950 0.106 0.000 2.113 2362 F HA -0.064 4.463 4.527 0.000 0.000 0.297 2362 F C 2.484 178.333 175.800 0.082 0.000 1.103 2362 F CA 1.117 59.165 58.000 0.080 0.000 1.248 2362 F CB -0.451 38.578 39.000 0.049 0.000 0.999 2362 F HN 0.208 nan 8.300 nan 0.000 0.475 2363 E N -0.474 119.896 120.200 0.284 0.000 2.110 2363 E HA -0.220 4.130 4.350 0.000 0.000 0.193 2363 E C 1.911 178.623 176.600 0.186 0.000 0.988 2363 E CA 1.232 57.744 56.400 0.187 0.000 0.804 2363 E CB -0.379 29.409 29.700 0.148 0.000 0.745 2363 E HN 0.380 nan 8.360 nan 0.000 0.458 2364 F N 1.723 121.695 119.950 0.038 0.000 2.031 2364 F HA -0.156 4.371 4.527 0.000 0.000 0.295 2364 F C 2.266 178.068 175.800 0.003 0.000 1.133 2364 F CA 1.586 59.591 58.000 0.008 0.000 1.188 2364 F CB -0.707 38.286 39.000 -0.010 0.000 0.974 2364 F HN -0.039 nan 8.300 nan 0.000 0.473 2365 A N 0.805 123.587 122.820 -0.063 0.000 1.908 2365 A HA -0.176 4.144 4.320 0.000 0.000 0.218 2365 A C 2.361 179.869 177.584 -0.126 0.000 1.181 2365 A CA 1.990 53.911 52.037 -0.194 0.000 0.627 2365 A CB -1.371 17.588 19.000 -0.069 0.000 0.818 2365 A HN 0.539 nan 8.150 nan 0.000 0.445 2366 L N -1.020 120.195 121.223 -0.014 0.000 2.191 2366 L HA -0.180 4.160 4.340 0.000 0.000 0.212 2366 L C 3.012 179.862 176.870 -0.033 0.000 1.103 2366 L CA 0.858 55.701 54.840 0.005 0.000 0.769 2366 L CB -0.436 41.660 42.059 0.062 0.000 0.908 2366 L HN 0.471 nan 8.230 nan 0.000 0.438 2367 A N 0.148 122.934 122.820 -0.055 0.000 1.929 2367 A HA -0.116 4.204 4.320 0.000 0.000 0.216 2367 A C 2.177 179.693 177.584 -0.114 0.000 1.176 2367 A CA 1.103 53.103 52.037 -0.062 0.000 0.628 2367 A CB -0.455 18.524 19.000 -0.035 0.000 0.816 2367 A HN 0.335 nan 8.150 nan 0.000 0.444 2368 I N -0.570 119.872 120.570 -0.214 0.000 2.252 2368 I HA -0.194 3.976 4.170 0.000 0.000 0.245 2368 I C 2.323 178.368 176.117 -0.120 0.000 1.102 2368 I CA 0.930 62.099 61.300 -0.217 0.000 1.385 2368 I CB -0.289 37.505 38.000 -0.342 0.000 1.064 2368 I HN 0.141 nan 8.210 nan 0.000 0.414 2369 V N 0.961 120.817 119.914 -0.098 0.000 2.295 2369 V HA -0.314 3.806 4.120 0.000 0.000 0.246 2369 V C 2.527 178.599 176.094 -0.038 0.000 1.049 2369 V CA 2.312 64.579 62.300 -0.054 0.000 1.024 2369 V CB -0.619 31.183 31.823 -0.034 0.000 0.648 2369 V HN 0.521 nan 8.190 nan 0.000 0.447 2370 E N 0.404 120.583 120.200 -0.035 0.000 2.077 2370 E HA -0.236 4.114 4.350 0.000 0.000 0.193 2370 E C 2.186 178.772 176.600 -0.023 0.000 0.989 2370 E CA 1.485 57.872 56.400 -0.022 0.000 0.800 2370 E CB -0.309 29.382 29.700 -0.016 0.000 0.746 2370 E HN 0.540 nan 8.360 nan 0.000 0.452 2371 A N 0.308 123.107 122.820 -0.034 0.000 1.940 2371 A HA -0.157 4.163 4.320 0.000 0.000 0.219 2371 A C 1.999 179.569 177.584 -0.023 0.000 1.176 2371 A CA 1.346 53.366 52.037 -0.028 0.000 0.631 2371 A CB -0.318 18.658 19.000 -0.040 0.000 0.814 2371 A HN 0.310 nan 8.150 nan 0.000 0.446 2372 L N -0.944 120.263 121.223 -0.028 0.000 2.253 2372 L HA 0.135 4.475 4.340 0.000 0.000 0.205 2372 L C 1.333 178.194 176.870 -0.015 0.000 1.078 2372 L CA 1.116 55.944 54.840 -0.020 0.000 0.805 2372 L CB -0.241 41.805 42.059 -0.022 0.000 0.963 2372 L HN 0.323 nan 8.230 nan 0.000 0.459 2373 N N -0.654 118.037 118.700 -0.015 0.000 2.171 2373 N HA 0.321 5.061 4.740 0.000 0.000 0.212 2373 N C 0.504 176.009 175.510 -0.008 0.000 1.184 2373 N CA 0.835 53.878 53.050 -0.011 0.000 0.888 2373 N CB 1.507 39.988 38.487 -0.010 0.000 1.038 2373 N HN 0.235 nan 8.380 nan 0.000 0.517 2374 G N 1.455 110.250 108.800 -0.009 0.000 2.707 2374 G HA2 -0.235 3.726 3.960 0.000 0.000 0.686 2374 G HA3 -0.235 3.726 3.960 0.000 0.000 0.686 2374 G C 0.318 175.215 174.900 -0.005 0.000 1.315 2374 G CA -0.469 44.627 45.100 -0.006 0.000 0.832 2374 G HN 0.112 nan 8.290 nan 0.000 0.573 2375 K N -0.111 120.287 120.400 -0.003 0.000 2.097 2375 K HA -0.068 4.252 4.320 0.000 0.000 0.206 2375 K C 2.316 178.916 176.600 0.000 0.000 1.049 2375 K CA 1.693 57.979 56.287 -0.001 0.000 0.933 2375 K CB -0.011 32.489 32.500 0.000 0.000 0.717 2375 K HN 0.618 nan 8.250 nan 0.000 0.442 2376 E N 0.668 120.868 120.200 -0.000 0.000 2.072 2376 E HA -0.159 4.191 4.350 0.000 0.000 0.191 2376 E C 1.853 178.454 176.600 0.001 0.000 0.985 2376 E CA 0.933 57.333 56.400 0.001 0.000 0.801 2376 E CB 0.215 29.915 29.700 0.000 0.000 0.750 2376 E HN 0.018 nan 8.360 nan 0.000 0.452 2377 V N 1.135 121.049 119.914 0.000 0.000 2.407 2377 V HA -0.243 3.877 4.120 0.000 0.000 0.248 2377 V C 2.405 178.501 176.094 0.003 0.000 1.055 2377 V CA 1.737 64.037 62.300 0.001 0.000 1.049 2377 V CB -0.624 31.198 31.823 -0.002 0.000 0.662 2377 V HN 0.426 nan 8.190 nan 0.000 0.455 2378 A N -0.083 122.738 122.820 0.002 0.000 1.930 2378 A HA -0.070 4.250 4.320 0.000 0.000 0.217 2378 A C 2.399 179.990 177.584 0.012 0.000 1.175 2378 A CA 1.932 53.973 52.037 0.006 0.000 0.627 2378 A CB -0.656 18.346 19.000 0.003 0.000 0.815 2378 A HN 0.554 nan 8.150 nan 0.000 0.443 2379 A N -0.544 122.281 122.820 0.008 0.000 1.930 2379 A HA -0.167 4.154 4.320 0.000 0.000 0.217 2379 A C 2.105 179.694 177.584 0.008 0.000 1.175 2379 A CA 1.487 53.529 52.037 0.008 0.000 0.627 2379 A CB -0.507 18.495 19.000 0.004 0.000 0.815 2379 A HN 0.657 nan 8.150 nan 0.000 0.443 2380 Q N -0.449 119.355 119.800 0.007 0.000 2.119 2380 Q HA -0.086 4.255 4.340 0.000 0.000 0.201 2380 Q C 2.061 178.068 176.000 0.012 0.000 0.972 2380 Q CA 1.505 57.313 55.803 0.007 0.000 0.847 2380 Q CB -0.331 28.411 28.738 0.006 0.000 0.903 2380 Q HN 0.485 nan 8.270 nan 0.000 0.433 2381 V N 1.458 121.382 119.914 0.016 0.000 2.427 2381 V HA -0.235 3.885 4.120 0.000 0.000 0.248 2381 V C 2.273 178.388 176.094 0.034 0.000 1.051 2381 V CA 1.762 64.077 62.300 0.025 0.000 1.048 2381 V CB -0.440 31.399 31.823 0.026 0.000 0.666 2381 V HN 0.308 nan 8.190 nan 0.000 0.456 2382 K N 0.399 120.817 120.400 0.029 0.000 2.062 2382 K HA -0.116 4.205 4.320 0.000 0.000 0.205 2382 K C 2.244 178.849 176.600 0.008 0.000 1.051 2382 K CA 1.287 57.591 56.287 0.028 0.000 0.941 2382 K CB -0.317 32.196 32.500 0.022 0.000 0.719 2382 K HN 0.380 nan 8.250 nan 0.000 0.440 2383 A N 1.940 124.763 122.820 0.005 0.000 1.884 2383 A HA -0.158 4.162 4.320 0.000 0.000 0.219 2383 A C -0.417 177.164 177.584 -0.006 0.000 1.197 2383 A CA 1.748 53.783 52.037 -0.003 0.000 0.637 2383 A CB -1.720 17.280 19.000 -0.000 0.000 0.827 2383 A HN 0.404 nan 8.150 nan 0.000 0.450 2384 P HA -0.013 nan 4.420 nan 0.000 0.223 2384 P C 1.227 178.528 177.300 0.001 0.000 1.151 2384 P CA 0.499 63.601 63.100 0.004 0.000 0.787 2384 P CB -0.099 31.609 31.700 0.014 0.000 0.788 2385 L N -1.328 119.895 121.223 0.001 0.000 2.191 2385 L HA -0.095 4.245 4.340 0.000 0.000 0.212 2385 L C 0.629 177.456 176.870 -0.073 0.000 1.103 2385 L CA 0.591 55.422 54.840 -0.015 0.000 0.769 2385 L CB -0.747 41.306 42.059 -0.010 0.000 0.908 2385 L HN -0.210 nan 8.230 nan 0.000 0.438 2386 V N -0.509 119.362 119.914 -0.071 0.000 5.831 2386 V HA -0.253 3.867 4.120 0.000 0.000 0.322 2386 V C 0.264 176.280 176.094 -0.130 0.000 0.451 2386 V CA 0.273 62.526 62.300 -0.079 0.000 0.687 2386 V CB -2.416 29.372 31.823 -0.058 0.000 0.395 2386 V HN 0.222 nan 8.190 nan 0.000 1.284 2387 L N 0.189 121.314 121.223 -0.162 0.000 2.456 2387 L HA 0.427 4.767 4.340 0.000 0.000 0.257 2387 L C 1.113 177.911 176.870 -0.120 0.000 1.162 2387 L CA -0.102 54.612 54.840 -0.210 0.000 0.808 2387 L CB 0.541 42.452 42.059 -0.246 0.000 1.136 2387 L HN 0.237 nan 8.230 nan 0.000 0.466 2388 K N 0.000 120.337 120.400 -0.106 0.000 2.780 2388 K HA 0.000 4.320 4.320 0.000 0.000 0.191 2388 K CA 0.000 56.249 56.287 -0.063 0.000 0.838 2388 K CB 0.000 32.470 32.500 -0.050 0.000 1.064 2388 K HN 0.000 nan 8.250 nan 0.000 0.543