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 2acl_1_F DATA FIRST_RESID 202 DATA SEQUENCE VQLSPEQLGM IEKLVAAQQQ CNRRSFSDRL RVTPWPIAPD PQSREARQQR DATA SEQUENCE FAHFTELAIV SVQEIVDFAK QLPGFLQLSR EDQIALLKTS AIEVMLLETS DATA SEQUENCE RRYNPGSESI TFLKDFSYNR EDFAKAGLQV EFINPIFEFS RAMNELQLND DATA SEQUENCE AEFALLIAIS IFSADRPNVQ DQLQVERLQH TYVEALHAYV SINHPHDPLM DATA SEQUENCE FPRMLMKLVS LRTLSSVHSE QVFALRLQDK KLPPLLSEIW DV 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 202 V HA 0.000 nan 4.120 nan 0.000 0.244 202 V C 0.000 176.041 176.094 -0.088 0.000 1.182 202 V CA 0.000 62.251 62.300 -0.082 0.000 1.235 202 V CB 0.000 31.778 31.823 -0.075 0.000 1.184 203 Q N 3.473 123.230 119.800 -0.071 0.000 2.312 203 Q HA 0.643 4.982 4.340 -0.000 0.000 0.263 203 Q C -0.560 175.407 176.000 -0.055 0.000 0.995 203 Q CA -0.909 54.852 55.803 -0.069 0.000 0.853 203 Q CB 2.195 30.894 28.738 -0.066 0.000 1.300 203 Q HN 0.761 nan 8.270 nan 0.000 0.448 204 L N 3.022 124.217 121.223 -0.047 0.000 3.458 204 L HA -0.218 4.122 4.340 -0.000 0.000 0.379 204 L C 0.639 177.496 176.870 -0.022 0.000 0.997 204 L CA 0.205 55.033 54.840 -0.020 0.000 0.823 204 L CB -0.721 41.337 42.059 -0.001 0.000 1.312 204 L HN 0.775 nan 8.230 nan 0.000 0.660 205 S N 3.891 119.576 115.700 -0.025 0.000 2.652 205 S HA 0.394 4.864 4.470 -0.000 0.000 0.267 205 S C -1.660 172.929 174.600 -0.018 0.000 1.201 205 S CA -1.195 56.988 58.200 -0.027 0.000 0.996 205 S CB 1.040 64.217 63.200 -0.038 0.000 1.054 205 S HN 0.334 nan 8.310 nan 0.000 0.561 206 P HA -0.042 nan 4.420 nan 0.000 0.208 206 P C 1.402 178.692 177.300 -0.016 0.000 1.200 206 P CA 1.114 64.206 63.100 -0.014 0.000 0.924 206 P CB -0.154 31.537 31.700 -0.016 0.000 0.774 207 E N -0.605 119.579 120.200 -0.027 0.000 2.301 207 E HA -0.291 4.059 4.350 -0.000 0.000 0.202 207 E C 1.871 178.443 176.600 -0.045 0.000 1.017 207 E CA 1.217 57.593 56.400 -0.039 0.000 0.831 207 E CB -0.101 29.567 29.700 -0.053 0.000 0.742 207 E HN 0.377 nan 8.360 nan 0.000 0.491 208 Q N -0.539 119.240 119.800 -0.034 0.000 2.134 208 Q HA -0.039 4.301 4.340 -0.000 0.000 0.195 208 Q C 2.264 178.276 176.000 0.020 0.000 0.958 208 Q CA 0.328 56.117 55.803 -0.023 0.000 0.840 208 Q CB -0.103 28.626 28.738 -0.015 0.000 0.918 208 Q HN 0.300 nan 8.270 nan 0.000 0.467 209 L N 1.023 122.264 121.223 0.030 0.000 2.046 209 L HA -0.082 4.258 4.340 -0.000 0.000 0.208 209 L C 2.004 178.901 176.870 0.046 0.000 1.077 209 L CA 2.227 57.101 54.840 0.056 0.000 0.747 209 L CB -1.340 40.742 42.059 0.039 0.000 0.896 209 L HN 0.269 nan 8.230 nan 0.000 0.432 210 G N 0.081 108.895 108.800 0.023 0.000 2.433 210 G HA2 -0.362 3.598 3.960 -0.000 0.000 0.216 210 G HA3 -0.362 3.598 3.960 -0.000 0.000 0.216 210 G C 1.645 176.561 174.900 0.026 0.000 1.186 210 G CA 1.009 46.121 45.100 0.020 0.000 0.779 210 G HN 0.483 nan 8.290 nan 0.000 0.543 211 M N 0.190 119.797 119.600 0.010 0.000 2.082 211 M HA -0.067 4.413 4.480 -0.000 0.000 0.258 211 M C 2.473 178.811 176.300 0.063 0.000 1.069 211 M CA 1.705 57.014 55.300 0.013 0.000 1.102 211 M CB -0.351 32.218 32.600 -0.052 0.000 1.336 211 M HN 0.219 nan 8.290 nan 0.000 0.404 212 I N 0.263 120.873 120.570 0.066 0.000 2.335 212 I HA -0.275 3.895 4.170 -0.000 0.000 0.251 212 I C 2.331 178.501 176.117 0.088 0.000 1.129 212 I CA 1.341 62.691 61.300 0.084 0.000 1.402 212 I CB -0.535 37.509 38.000 0.074 0.000 1.069 212 I HN 0.444 nan 8.210 nan 0.000 0.424 213 E N 1.576 121.821 120.200 0.075 0.000 2.017 213 E HA -0.235 4.115 4.350 -0.000 0.000 0.193 213 E C 2.000 178.646 176.600 0.076 0.000 0.997 213 E CA 1.587 58.029 56.400 0.069 0.000 0.804 213 E CB -0.045 29.687 29.700 0.053 0.000 0.757 213 E HN 0.069 nan 8.360 nan 0.000 0.448 214 K N 0.128 120.570 120.400 0.071 0.000 2.127 214 K HA -0.154 4.166 4.320 -0.000 0.000 0.208 214 K C 2.087 178.754 176.600 0.111 0.000 1.047 214 K CA 1.260 57.590 56.287 0.073 0.000 0.927 214 K CB -0.531 32.004 32.500 0.058 0.000 0.716 214 K HN 0.169 nan 8.250 nan 0.000 0.450 215 L N -0.467 120.846 121.223 0.150 0.000 1.948 215 L HA -0.196 4.144 4.340 -0.000 0.000 0.212 215 L C 2.097 179.107 176.870 0.232 0.000 1.074 215 L CA 1.184 56.175 54.840 0.252 0.000 0.753 215 L CB -0.718 41.501 42.059 0.268 0.000 0.888 215 L HN -0.056 nan 8.230 nan 0.000 0.432 216 V N 0.214 120.212 119.914 0.141 0.000 2.527 216 V HA -0.337 3.783 4.120 -0.000 0.000 0.255 216 V C 2.500 178.641 176.094 0.079 0.000 1.081 216 V CA 1.748 64.102 62.300 0.089 0.000 1.092 216 V CB -1.164 30.698 31.823 0.065 0.000 0.673 216 V HN 0.521 nan 8.190 nan 0.000 0.470 217 A N 0.127 123.003 122.820 0.093 0.000 1.831 217 A HA 0.073 4.393 4.320 -0.000 0.000 0.213 217 A C 2.496 180.136 177.584 0.094 0.000 1.223 217 A CA 1.583 53.664 52.037 0.074 0.000 0.604 217 A CB -1.151 17.887 19.000 0.064 0.000 0.878 217 A HN 0.547 nan 8.150 nan 0.000 0.450 218 A N -0.619 122.283 122.820 0.138 0.000 1.940 218 A HA -0.338 3.982 4.320 -0.000 0.000 0.221 218 A C 2.240 179.960 177.584 0.228 0.000 1.190 218 A CA 2.363 54.509 52.037 0.182 0.000 0.647 218 A CB -0.792 18.323 19.000 0.192 0.000 0.821 218 A HN 0.726 nan 8.150 nan 0.000 0.457 219 Q N -1.164 118.767 119.800 0.220 0.000 2.020 219 Q HA -0.272 4.068 4.340 -0.000 0.000 0.202 219 Q C 2.286 178.260 176.000 -0.043 0.000 0.982 219 Q CA 1.919 57.706 55.803 -0.027 0.000 0.838 219 Q CB -0.206 28.442 28.738 -0.151 0.000 0.899 219 Q HN 0.773 nan 8.270 nan 0.000 0.423 220 Q N -0.149 119.643 119.800 -0.014 0.000 2.226 220 Q HA -0.221 4.119 4.340 -0.000 0.000 0.204 220 Q C 1.944 177.932 176.000 -0.020 0.000 0.975 220 Q CA 1.689 57.472 55.803 -0.033 0.000 0.866 220 Q CB 0.098 28.826 28.738 -0.017 0.000 0.915 220 Q HN 0.452 nan 8.270 nan 0.000 0.440 221 Q N -1.222 118.586 119.800 0.014 0.000 2.089 221 Q HA -0.116 4.224 4.340 -0.000 0.000 0.195 221 Q C 2.023 178.036 176.000 0.020 0.000 0.963 221 Q CA 1.344 57.159 55.803 0.021 0.000 0.834 221 Q CB -0.004 28.756 28.738 0.038 0.000 0.906 221 Q HN 0.489 nan 8.270 nan 0.000 0.452 222 C N 1.230 120.548 119.300 0.030 0.000 2.422 222 C HA -0.073 4.387 4.460 -0.000 0.000 0.279 222 C C 2.403 177.388 174.990 -0.008 0.000 1.305 222 C CA 1.101 60.132 59.018 0.021 0.000 1.757 222 C CB -1.470 26.296 27.740 0.043 0.000 1.962 222 C HN 0.641 nan 8.230 nan 0.000 0.499 223 N N 0.316 118.993 118.700 -0.038 0.000 2.396 223 N HA -0.053 4.687 4.740 -0.000 0.000 0.180 223 N C 1.884 177.382 175.510 -0.019 0.000 1.028 223 N CA 1.026 54.042 53.050 -0.056 0.000 0.893 223 N CB -0.132 38.285 38.487 -0.116 0.000 0.967 223 N HN 0.465 nan 8.380 nan 0.000 0.440 224 R N -0.418 120.081 120.500 -0.002 0.000 2.090 224 R HA 0.224 4.564 4.340 -0.000 0.000 0.219 224 R C 1.853 178.208 176.300 0.093 0.000 1.100 224 R CA 0.450 56.577 56.100 0.045 0.000 0.991 224 R CB 0.023 30.335 30.300 0.019 0.000 0.893 224 R HN 0.175 nan 8.270 nan 0.000 0.443 225 R N -0.061 120.473 120.500 0.056 0.000 2.249 225 R HA -0.021 4.319 4.340 -0.000 0.000 0.230 225 R C 1.162 177.497 176.300 0.058 0.000 1.121 225 R CA 1.076 57.206 56.100 0.050 0.000 0.997 225 R CB 0.070 30.388 30.300 0.031 0.000 0.867 225 R HN 0.038 nan 8.270 nan 0.000 0.465 226 S N -0.707 115.041 115.700 0.079 0.000 2.559 226 S HA 0.100 4.570 4.470 -0.000 0.000 0.226 226 S C 0.360 175.054 174.600 0.157 0.000 1.000 226 S CA -0.450 57.798 58.200 0.079 0.000 0.948 226 S CB 0.238 63.463 63.200 0.043 0.000 0.870 226 S HN 0.182 nan 8.310 nan 0.000 0.497 227 F N 3.127 123.078 119.950 0.001 0.000 2.773 227 F HA 0.209 4.736 4.527 -0.000 0.000 0.304 227 F C 1.508 177.321 175.800 0.022 0.000 1.129 227 F CA -0.101 57.908 58.000 0.015 0.000 1.378 227 F CB 0.080 39.083 39.000 0.004 0.000 1.095 227 F HN 0.182 nan 8.300 nan 0.000 0.565 228 S N -3.108 112.614 115.700 0.036 0.000 2.730 228 S HA 0.202 4.672 4.470 -0.000 0.000 0.244 228 S C 0.315 174.902 174.600 -0.021 0.000 1.022 228 S CA -0.280 57.906 58.200 -0.022 0.000 1.014 228 S CB -0.114 63.099 63.200 0.022 0.000 0.963 228 S HN 0.190 nan 8.310 nan 0.000 0.540 229 D N 1.453 121.845 120.400 -0.013 0.000 2.440 229 D HA 0.276 4.916 4.640 -0.000 0.000 0.216 229 D C 1.686 177.984 176.300 -0.004 0.000 1.150 229 D CA -0.157 53.838 54.000 -0.008 0.000 0.832 229 D CB 0.317 41.113 40.800 -0.006 0.000 0.992 229 D HN 0.282 nan 8.370 nan 0.000 0.502 230 R N 0.091 120.583 120.500 -0.012 0.000 2.115 230 R HA 0.087 4.427 4.340 -0.000 0.000 0.226 230 R C 1.601 177.946 176.300 0.075 0.000 1.100 230 R CA 0.594 56.726 56.100 0.052 0.000 0.980 230 R CB -0.136 30.176 30.300 0.019 0.000 0.875 230 R HN 0.227 nan 8.270 nan 0.000 0.445 231 L N 0.487 121.721 121.223 0.019 0.000 2.456 231 L HA -0.090 4.250 4.340 -0.000 0.000 0.224 231 L C 1.997 178.890 176.870 0.039 0.000 1.148 231 L CA 1.096 55.953 54.840 0.028 0.000 0.825 231 L CB -0.197 41.862 42.059 -0.000 0.000 0.937 231 L HN 0.117 nan 8.230 nan 0.000 0.450 232 R N -0.968 119.551 120.500 0.033 0.000 2.300 232 R HA 0.125 4.465 4.340 -0.000 0.000 0.199 232 R C 0.120 176.444 176.300 0.040 0.000 0.920 232 R CA -0.105 56.011 56.100 0.026 0.000 1.046 232 R CB 0.386 30.691 30.300 0.007 0.000 0.984 232 R HN 0.063 nan 8.270 nan 0.000 0.493 233 V N 2.463 122.418 119.914 0.069 0.000 2.461 233 V HA 0.050 4.170 4.120 -0.000 0.000 0.275 233 V C 0.648 176.838 176.094 0.161 0.000 1.047 233 V CA -0.562 61.796 62.300 0.096 0.000 0.955 233 V CB 1.229 33.103 31.823 0.085 0.000 0.988 233 V HN 0.263 nan 8.190 nan 0.000 0.471 234 T N 4.500 119.147 114.554 0.155 0.000 2.750 234 T HA 0.271 4.621 4.350 -0.000 0.000 0.286 234 T C -2.177 172.618 174.700 0.158 0.000 0.911 234 T CA -1.411 60.770 62.100 0.135 0.000 1.130 234 T CB 0.191 69.117 68.868 0.096 0.000 0.873 234 T HN 0.486 nan 8.240 nan 0.000 0.536 235 P HA -0.126 nan 4.420 nan 0.000 0.270 235 P C -0.013 177.305 177.300 0.029 0.000 1.167 235 P CA -0.124 63.061 63.100 0.142 0.000 0.759 235 P CB 0.368 32.141 31.700 0.122 0.000 0.777 236 W N 5.328 126.506 121.300 -0.203 0.000 2.356 236 W HA 0.161 4.821 4.660 -0.000 0.000 0.311 236 W C -2.277 174.212 176.519 -0.050 0.000 1.328 236 W CA -2.317 54.886 57.345 -0.237 0.000 1.251 236 W CB -0.027 29.366 29.460 -0.113 0.000 1.280 236 W HN 0.397 nan 8.180 nan 0.000 0.524 237 P HA -0.197 nan 4.420 nan 0.000 0.235 237 P C 1.015 178.136 177.300 -0.299 0.000 1.068 237 P CA 0.902 63.727 63.100 -0.458 0.000 0.934 237 P CB -0.202 31.131 31.700 -0.611 0.000 0.863 238 I N 2.003 122.522 120.570 -0.085 0.000 2.163 238 I HA -0.214 3.956 4.170 -0.000 0.000 0.243 238 I C 1.306 177.416 176.117 -0.012 0.000 1.085 238 I CA 1.103 62.414 61.300 0.017 0.000 1.347 238 I CB -0.517 37.503 38.000 0.033 0.000 1.044 238 I HN 0.228 nan 8.210 nan 0.000 0.408 239 A N 3.451 126.242 122.820 -0.048 0.000 2.539 239 A HA 0.333 4.653 4.320 -0.000 0.000 0.306 239 A C -1.969 175.569 177.584 -0.076 0.000 1.392 239 A CA -1.234 50.777 52.037 -0.043 0.000 1.060 239 A CB -0.903 18.073 19.000 -0.039 0.000 1.134 239 A HN 0.138 nan 8.150 nan 0.000 0.542 240 P HA 0.409 nan 4.420 nan 0.000 0.271 240 P C -1.018 176.248 177.300 -0.056 0.000 1.218 240 P CA 0.072 63.131 63.100 -0.068 0.000 0.780 240 P CB 1.288 32.982 31.700 -0.009 0.000 0.901 241 D N 0.955 121.313 120.400 -0.070 0.000 2.602 241 D HA 0.355 4.995 4.640 -0.000 0.000 0.236 241 D C -1.636 174.636 176.300 -0.046 0.000 1.209 241 D CA -1.406 52.563 54.000 -0.052 0.000 0.831 241 D CB 1.756 42.521 40.800 -0.059 0.000 1.478 241 D HN 0.189 nan 8.370 nan 0.000 0.438 242 P HA 0.006 nan 4.420 nan 0.000 0.262 242 P C 0.130 177.409 177.300 -0.034 0.000 1.339 242 P CA 0.448 63.532 63.100 -0.027 0.000 0.706 242 P CB 0.302 31.990 31.700 -0.020 0.000 1.424 243 Q N -0.136 119.646 119.800 -0.031 0.000 2.408 243 Q HA 0.084 4.424 4.340 -0.000 0.000 0.214 243 Q C 0.753 176.729 176.000 -0.040 0.000 0.957 243 Q CA 0.143 55.925 55.803 -0.035 0.000 0.965 243 Q CB -1.387 27.333 28.738 -0.030 0.000 0.991 243 Q HN 0.191 nan 8.270 nan 0.000 0.505 244 S N 0.378 116.051 115.700 -0.045 0.000 3.106 244 S HA -0.040 4.430 4.470 -0.000 0.000 0.304 244 S C 1.305 175.874 174.600 -0.053 0.000 1.118 244 S CA -0.152 58.019 58.200 -0.048 0.000 1.403 244 S CB -0.184 62.984 63.200 -0.054 0.000 1.555 244 S HN 0.421 nan 8.310 nan 0.000 0.584 245 R N 2.025 122.496 120.500 -0.048 0.000 2.174 245 R HA -0.181 4.159 4.340 -0.000 0.000 0.253 245 R C 2.083 178.352 176.300 -0.051 0.000 1.165 245 R CA 1.855 57.924 56.100 -0.052 0.000 0.984 245 R CB -0.083 30.189 30.300 -0.047 0.000 0.873 245 R HN 0.615 nan 8.270 nan 0.000 0.456 246 E N 0.074 120.247 120.200 -0.046 0.000 2.001 246 E HA -0.123 4.227 4.350 -0.000 0.000 0.193 246 E C 1.775 178.345 176.600 -0.051 0.000 0.994 246 E CA 1.531 57.906 56.400 -0.041 0.000 0.815 246 E CB -0.372 29.306 29.700 -0.037 0.000 0.770 246 E HN 0.376 nan 8.360 nan 0.000 0.453 247 A N 1.169 123.947 122.820 -0.071 0.000 2.084 247 A HA -0.210 4.110 4.320 -0.000 0.000 0.221 247 A C 2.165 179.680 177.584 -0.114 0.000 1.161 247 A CA 1.844 53.816 52.037 -0.107 0.000 0.653 247 A CB -0.499 18.422 19.000 -0.131 0.000 0.802 247 A HN 0.118 nan 8.150 nan 0.000 0.457 248 R N -0.411 120.039 120.500 -0.084 0.000 2.105 248 R HA -0.173 4.167 4.340 -0.000 0.000 0.239 248 R C 2.258 178.540 176.300 -0.031 0.000 1.135 248 R CA 2.101 58.158 56.100 -0.073 0.000 0.967 248 R CB -0.437 29.819 30.300 -0.072 0.000 0.861 248 R HN 0.615 nan 8.270 nan 0.000 0.442 249 Q N -0.290 119.503 119.800 -0.013 0.000 2.187 249 Q HA -0.029 4.311 4.340 -0.000 0.000 0.199 249 Q C 1.844 177.913 176.000 0.114 0.000 0.957 249 Q CA 1.378 57.224 55.803 0.070 0.000 0.857 249 Q CB 0.127 28.889 28.738 0.040 0.000 0.929 249 Q HN 0.432 nan 8.270 nan 0.000 0.453 250 Q N -0.401 119.410 119.800 0.018 0.000 2.124 250 Q HA -0.150 4.190 4.340 -0.000 0.000 0.202 250 Q C 2.060 178.066 176.000 0.011 0.000 0.977 250 Q CA 1.426 57.229 55.803 -0.001 0.000 0.850 250 Q CB 0.048 28.739 28.738 -0.078 0.000 0.901 250 Q HN 0.345 nan 8.270 nan 0.000 0.429 251 R N -0.382 120.077 120.500 -0.068 0.000 2.062 251 R HA -0.112 4.228 4.340 -0.000 0.000 0.231 251 R C 2.118 178.562 176.300 0.240 0.000 1.136 251 R CA 1.327 57.398 56.100 -0.050 0.000 0.948 251 R CB -0.527 29.602 30.300 -0.284 0.000 0.845 251 R HN 0.220 nan 8.270 nan 0.000 0.430 252 F N 1.814 121.784 119.950 0.033 0.000 2.063 252 F HA -0.334 4.193 4.527 -0.000 0.000 0.298 252 F C 2.355 178.241 175.800 0.144 0.000 1.109 252 F CA 1.779 59.816 58.000 0.063 0.000 1.212 252 F CB -0.260 38.751 39.000 0.018 0.000 0.973 252 F HN 0.053 nan 8.300 nan 0.000 0.480 253 A N -0.564 122.327 122.820 0.118 0.000 1.883 253 A HA -0.312 4.008 4.320 -0.000 0.000 0.217 253 A C 1.987 179.594 177.584 0.038 0.000 1.186 253 A CA 2.094 54.136 52.037 0.008 0.000 0.624 253 A CB -1.474 17.584 19.000 0.097 0.000 0.822 253 A HN 0.700 nan 8.150 nan 0.000 0.444 254 H N -1.221 117.897 119.070 0.080 0.000 2.265 254 H HA -0.187 4.369 4.556 -0.000 0.000 0.295 254 H C 1.725 177.090 175.328 0.061 0.000 1.084 254 H CA 2.320 58.437 56.048 0.115 0.000 1.261 254 H CB -0.680 29.285 29.762 0.337 0.000 1.360 254 H HN 0.470 nan 8.280 nan 0.000 0.487 255 F N 0.319 120.163 119.950 -0.175 0.000 2.065 255 F HA -0.305 4.222 4.527 -0.000 0.000 0.298 255 F C 2.959 178.556 175.800 -0.337 0.000 1.112 255 F CA 2.116 59.933 58.000 -0.306 0.000 1.212 255 F CB -0.548 38.353 39.000 -0.165 0.000 0.975 255 F HN 0.439 nan 8.300 nan 0.000 0.476 256 T N -2.455 111.993 114.554 -0.177 0.000 2.788 256 T HA -0.217 4.133 4.350 -0.000 0.000 0.268 256 T C 1.586 176.159 174.700 -0.210 0.000 1.044 256 T CA 1.613 63.578 62.100 -0.226 0.000 1.139 256 T CB -0.600 68.040 68.868 -0.380 0.000 0.867 256 T HN 0.363 nan 8.240 nan 0.000 0.454 257 E N 0.830 120.901 120.200 -0.216 0.000 2.153 257 E HA 0.003 4.353 4.350 -0.000 0.000 0.194 257 E C 2.186 178.623 176.600 -0.272 0.000 0.988 257 E CA 0.913 57.195 56.400 -0.197 0.000 0.811 257 E CB -0.293 29.321 29.700 -0.143 0.000 0.746 257 E HN 0.503 nan 8.360 nan 0.000 0.466 258 L N 0.302 121.274 121.223 -0.418 0.000 2.044 258 L HA -0.135 4.205 4.340 -0.000 0.000 0.205 258 L C 2.599 179.237 176.870 -0.386 0.000 1.075 258 L CA 0.831 55.368 54.840 -0.505 0.000 0.747 258 L CB -0.461 41.100 42.059 -0.830 0.000 0.903 258 L HN 0.146 nan 8.230 nan 0.000 0.435 259 A N 0.632 123.259 122.820 -0.322 0.000 1.892 259 A HA -0.240 4.080 4.320 -0.000 0.000 0.218 259 A C 2.139 179.597 177.584 -0.210 0.000 1.188 259 A CA 1.734 53.649 52.037 -0.204 0.000 0.631 259 A CB -0.628 18.335 19.000 -0.062 0.000 0.822 259 A HN 0.297 nan 8.150 nan 0.000 0.447 260 I N -0.060 120.392 120.570 -0.196 0.000 2.118 260 I HA -0.230 3.939 4.170 -0.000 0.000 0.241 260 I C 2.559 178.584 176.117 -0.153 0.000 1.070 260 I CA 1.499 62.698 61.300 -0.169 0.000 1.327 260 I CB -1.704 36.214 38.000 -0.136 0.000 1.034 260 I HN 0.169 nan 8.210 nan 0.000 0.405 261 V N 0.560 120.381 119.914 -0.154 0.000 2.252 261 V HA -0.338 3.782 4.120 -0.000 0.000 0.249 261 V C 2.814 178.836 176.094 -0.121 0.000 1.056 261 V CA 2.337 64.564 62.300 -0.121 0.000 1.022 261 V CB -0.984 30.765 31.823 -0.123 0.000 0.641 261 V HN 0.451 nan 8.190 nan 0.000 0.445 262 S N -0.468 115.138 115.700 -0.158 0.000 2.359 262 S HA -0.215 4.255 4.470 -0.000 0.000 0.223 262 S C 1.974 176.495 174.600 -0.131 0.000 1.039 262 S CA 2.052 60.165 58.200 -0.145 0.000 1.042 262 S CB -0.358 62.741 63.200 -0.168 0.000 0.915 262 S HN 0.330 nan 8.310 nan 0.000 0.439 263 V N 1.929 121.750 119.914 -0.156 0.000 2.568 263 V HA -0.154 3.966 4.120 -0.000 0.000 0.253 263 V C 2.787 178.812 176.094 -0.116 0.000 1.072 263 V CA 1.847 64.052 62.300 -0.159 0.000 1.084 263 V CB -0.652 31.043 31.823 -0.214 0.000 0.676 263 V HN 0.481 nan 8.190 nan 0.000 0.469 264 Q N -0.262 119.479 119.800 -0.099 0.000 2.062 264 Q HA -0.141 4.199 4.340 -0.000 0.000 0.196 264 Q C 2.320 178.288 176.000 -0.053 0.000 0.967 264 Q CA 1.440 57.202 55.803 -0.068 0.000 0.832 264 Q CB -0.138 28.565 28.738 -0.057 0.000 0.899 264 Q HN 0.708 nan 8.270 nan 0.000 0.442 265 E N 0.295 120.460 120.200 -0.058 0.000 2.085 265 E HA -0.182 4.168 4.350 -0.000 0.000 0.194 265 E C 2.150 178.726 176.600 -0.040 0.000 0.994 265 E CA 0.994 57.365 56.400 -0.048 0.000 0.801 265 E CB -0.142 29.514 29.700 -0.072 0.000 0.743 265 E HN 0.335 nan 8.360 nan 0.000 0.453 266 I N 0.571 121.102 120.570 -0.065 0.000 2.076 266 I HA -0.289 3.881 4.170 -0.000 0.000 0.237 266 I C 2.458 178.543 176.117 -0.054 0.000 1.059 266 I CA 1.018 62.284 61.300 -0.056 0.000 1.317 266 I CB -0.481 37.469 38.000 -0.084 0.000 1.037 266 I HN -0.003 nan 8.210 nan 0.000 0.398 267 V N 0.931 120.799 119.914 -0.077 0.000 2.380 267 V HA -0.327 3.792 4.120 -0.000 0.000 0.251 267 V C 2.126 178.163 176.094 -0.094 0.000 1.063 267 V CA 2.041 64.286 62.300 -0.092 0.000 1.055 267 V CB -0.739 31.054 31.823 -0.050 0.000 0.657 267 V HN 0.418 nan 8.190 nan 0.000 0.455 268 D N -0.633 119.744 120.400 -0.039 0.000 2.087 268 D HA -0.197 4.443 4.640 -0.000 0.000 0.192 268 D C 1.872 178.161 176.300 -0.017 0.000 0.993 268 D CA 1.467 55.459 54.000 -0.014 0.000 0.828 268 D CB -0.384 40.428 40.800 0.019 0.000 0.968 268 D HN 0.381 nan 8.370 nan 0.000 0.448 269 F N 1.632 121.483 119.950 -0.165 0.000 2.025 269 F HA -0.274 4.253 4.527 -0.000 0.000 0.297 269 F C 2.306 177.922 175.800 -0.307 0.000 1.132 269 F CA 1.919 59.806 58.000 -0.188 0.000 1.191 269 F CB -0.904 37.989 39.000 -0.178 0.000 0.963 269 F HN -0.022 nan 8.300 nan 0.000 0.481 270 A N -0.001 122.533 122.820 -0.476 0.000 1.940 270 A HA -0.345 3.975 4.320 -0.000 0.000 0.221 270 A C 2.221 179.131 177.584 -1.124 0.000 1.190 270 A CA 2.572 53.948 52.037 -1.102 0.000 0.647 270 A CB -0.955 17.152 19.000 -1.490 0.000 0.821 270 A HN 0.550 nan 8.150 nan 0.000 0.457 271 K N -0.609 119.437 120.400 -0.590 0.000 2.097 271 K HA -0.161 4.159 4.320 -0.000 0.000 0.206 271 K C 2.148 178.693 176.600 -0.091 0.000 1.049 271 K CA 1.585 57.783 56.287 -0.149 0.000 0.933 271 K CB -0.171 32.314 32.500 -0.024 0.000 0.717 271 K HN 0.659 nan 8.250 nan 0.000 0.442 272 Q N 0.364 120.048 119.800 -0.193 0.000 2.435 272 Q HA 0.020 4.360 4.340 -0.000 0.000 0.207 272 Q C 0.037 175.947 176.000 -0.149 0.000 0.956 272 Q CA 0.292 56.009 55.803 -0.143 0.000 0.917 272 Q CB 0.032 28.684 28.738 -0.143 0.000 0.997 272 Q HN 0.289 nan 8.270 nan 0.000 0.497 273 L N 3.826 124.917 121.223 -0.220 0.000 2.360 273 L HA 0.162 4.502 4.340 -0.000 0.000 0.276 273 L C -1.954 175.036 176.870 0.200 0.000 1.121 273 L CA -1.832 52.996 54.840 -0.021 0.000 0.845 273 L CB 0.297 42.336 42.059 -0.032 0.000 1.143 273 L HN -0.076 nan 8.230 nan 0.000 0.452 274 P HA 0.071 nan 4.420 nan 0.000 0.267 274 P C 0.681 178.085 177.300 0.172 0.000 1.209 274 P CA 0.574 63.763 63.100 0.148 0.000 0.763 274 P CB 1.288 33.032 31.700 0.073 0.000 0.816 275 G N 3.151 112.050 108.800 0.165 0.000 2.284 275 G HA2 -0.337 3.623 3.960 -0.000 0.000 0.216 275 G HA3 -0.337 3.623 3.960 -0.000 0.000 0.216 275 G C 0.628 175.677 174.900 0.249 0.000 1.009 275 G CA 0.136 45.316 45.100 0.135 0.000 0.625 275 G HN 0.447 nan 8.290 nan 0.000 0.501 276 F N 1.793 121.901 119.950 0.263 0.000 2.026 276 F HA 0.114 4.641 4.527 -0.000 0.000 0.296 276 F C 2.603 178.471 175.800 0.113 0.000 1.133 276 F CA 2.478 60.626 58.000 0.248 0.000 1.188 276 F CB -0.429 38.654 39.000 0.138 0.000 0.968 276 F HN 0.146 nan 8.300 nan 0.000 0.476 277 L N -0.144 121.219 121.223 0.233 0.000 2.447 277 L HA -0.202 4.138 4.340 -0.000 0.000 0.225 277 L C 1.711 178.581 176.870 0.001 0.000 1.148 277 L CA 0.732 55.624 54.840 0.086 0.000 0.808 277 L CB -0.655 41.490 42.059 0.143 0.000 0.928 277 L HN 0.288 nan 8.230 nan 0.000 0.448 278 Q N -0.635 119.172 119.800 0.010 0.000 2.425 278 Q HA 0.196 4.536 4.340 -0.000 0.000 0.204 278 Q C 0.371 176.350 176.000 -0.036 0.000 0.933 278 Q CA 0.335 56.135 55.803 -0.004 0.000 0.939 278 Q CB 0.241 28.989 28.738 0.017 0.000 1.044 278 Q HN 0.425 nan 8.270 nan 0.000 0.513 279 L N -0.161 121.010 121.223 -0.086 0.000 2.488 279 L HA 0.300 4.640 4.340 -0.000 0.000 0.249 279 L C 0.689 177.493 176.870 -0.110 0.000 1.151 279 L CA -0.806 53.975 54.840 -0.098 0.000 0.806 279 L CB 0.535 42.507 42.059 -0.145 0.000 1.261 279 L HN 0.040 nan 8.230 nan 0.000 0.484 280 S N -0.282 115.365 115.700 -0.088 0.000 2.584 280 S HA 0.150 4.620 4.470 -0.000 0.000 0.270 280 S C 1.064 175.605 174.600 -0.099 0.000 1.346 280 S CA -0.515 57.641 58.200 -0.072 0.000 1.018 280 S CB 1.056 64.227 63.200 -0.048 0.000 0.899 280 S HN 0.505 nan 8.310 nan 0.000 0.542 281 R N 1.506 121.965 120.500 -0.069 0.000 2.081 281 R HA -0.086 4.254 4.340 -0.000 0.000 0.235 281 R C 2.338 178.602 176.300 -0.060 0.000 1.131 281 R CA 1.794 57.856 56.100 -0.065 0.000 0.960 281 R CB -0.905 29.375 30.300 -0.034 0.000 0.856 281 R HN 0.937 nan 8.270 nan 0.000 0.436 282 E N 0.428 120.602 120.200 -0.045 0.000 2.058 282 E HA -0.204 4.146 4.350 -0.000 0.000 0.194 282 E C 1.377 177.952 176.600 -0.043 0.000 0.997 282 E CA 1.261 57.642 56.400 -0.032 0.000 0.801 282 E CB -0.543 29.144 29.700 -0.021 0.000 0.746 282 E HN 0.185 nan 8.360 nan 0.000 0.450 283 D N 1.038 121.400 120.400 -0.063 0.000 2.178 283 D HA -0.109 4.531 4.640 -0.000 0.000 0.201 283 D C 2.119 178.346 176.300 -0.122 0.000 0.980 283 D CA 1.030 54.986 54.000 -0.074 0.000 0.842 283 D CB -0.120 40.633 40.800 -0.079 0.000 0.948 283 D HN 0.278 nan 8.370 nan 0.000 0.472 284 Q N -0.412 119.270 119.800 -0.197 0.000 2.083 284 Q HA -0.010 4.330 4.340 -0.000 0.000 0.198 284 Q C 2.302 178.282 176.000 -0.034 0.000 0.969 284 Q CA 0.703 56.334 55.803 -0.285 0.000 0.838 284 Q CB 0.100 28.613 28.738 -0.374 0.000 0.900 284 Q HN 0.339 nan 8.270 nan 0.000 0.436 285 I N 0.382 120.938 120.570 -0.022 0.000 2.226 285 I HA -0.285 3.885 4.170 -0.000 0.000 0.245 285 I C 2.366 178.491 176.117 0.014 0.000 1.100 285 I CA 0.907 62.212 61.300 0.009 0.000 1.374 285 I CB -0.419 37.580 38.000 -0.003 0.000 1.057 285 I HN 0.185 nan 8.210 nan 0.000 0.413 286 A N 1.071 123.893 122.820 0.003 0.000 1.892 286 A HA -0.199 4.121 4.320 -0.000 0.000 0.218 286 A C 2.296 179.897 177.584 0.029 0.000 1.188 286 A CA 1.641 53.687 52.037 0.015 0.000 0.631 286 A CB -0.955 18.049 19.000 0.008 0.000 0.822 286 A HN 0.410 nan 8.150 nan 0.000 0.447 287 L N -1.051 120.192 121.223 0.033 0.000 2.141 287 L HA -0.102 4.238 4.340 -0.000 0.000 0.209 287 L C 2.488 179.395 176.870 0.061 0.000 1.094 287 L CA 0.704 55.578 54.840 0.057 0.000 0.763 287 L CB -0.418 41.689 42.059 0.080 0.000 0.908 287 L HN 0.374 nan 8.230 nan 0.000 0.437 288 L N -0.675 120.592 121.223 0.073 0.000 2.127 288 L HA -0.127 4.213 4.340 -0.000 0.000 0.203 288 L C 2.609 179.478 176.870 -0.001 0.000 1.080 288 L CA 0.940 55.803 54.840 0.039 0.000 0.768 288 L CB -0.293 41.802 42.059 0.059 0.000 0.924 288 L HN 0.142 nan 8.230 nan 0.000 0.444 289 K N -0.212 120.191 120.400 0.004 0.000 2.001 289 K HA -0.170 4.150 4.320 -0.000 0.000 0.214 289 K C 1.829 178.461 176.600 0.053 0.000 1.050 289 K CA 2.092 58.379 56.287 0.000 0.000 0.934 289 K CB -0.273 32.242 32.500 0.025 0.000 0.718 289 K HN 0.240 nan 8.250 nan 0.000 0.443 290 T N -0.009 114.583 114.554 0.065 0.000 3.118 290 T HA -0.047 4.303 4.350 -0.000 0.000 0.260 290 T C 1.665 176.406 174.700 0.069 0.000 1.139 290 T CA 1.149 63.299 62.100 0.083 0.000 1.085 290 T CB 0.045 68.952 68.868 0.065 0.000 0.934 290 T HN 0.306 nan 8.240 nan 0.000 0.518 291 S N 0.221 115.949 115.700 0.047 0.000 2.520 291 S HA 0.432 4.902 4.470 -0.000 0.000 0.219 291 S C 2.301 176.918 174.600 0.028 0.000 1.028 291 S CA 0.350 58.568 58.200 0.031 0.000 0.921 291 S CB -0.145 63.059 63.200 0.006 0.000 0.844 291 S HN 0.335 nan 8.310 nan 0.000 0.495 292 A N 2.477 125.307 122.820 0.017 0.000 1.903 292 A HA -0.082 4.238 4.320 -0.000 0.000 0.219 292 A C 2.113 179.739 177.584 0.070 0.000 1.191 292 A CA 1.928 53.959 52.037 -0.010 0.000 0.638 292 A CB -1.031 17.897 19.000 -0.121 0.000 0.823 292 A HN 0.598 nan 8.150 nan 0.000 0.451 293 I N -0.066 120.608 120.570 0.173 0.000 2.179 293 I HA -0.206 3.964 4.170 -0.000 0.000 0.242 293 I C 2.122 178.271 176.117 0.052 0.000 1.088 293 I CA 2.082 63.466 61.300 0.141 0.000 1.357 293 I CB -0.565 37.410 38.000 -0.041 0.000 1.051 293 I HN 0.496 nan 8.210 nan 0.000 0.409 294 E N -0.490 119.731 120.200 0.035 0.000 2.077 294 E HA -0.192 4.158 4.350 -0.000 0.000 0.193 294 E C 2.259 178.887 176.600 0.047 0.000 0.989 294 E CA 1.803 58.214 56.400 0.017 0.000 0.800 294 E CB -0.117 29.592 29.700 0.016 0.000 0.746 294 E HN 0.402 nan 8.360 nan 0.000 0.452 295 V N 0.993 120.931 119.914 0.041 0.000 2.358 295 V HA -0.287 3.833 4.120 -0.000 0.000 0.246 295 V C 2.282 178.400 176.094 0.041 0.000 1.047 295 V CA 1.596 63.916 62.300 0.034 0.000 1.035 295 V CB -0.410 31.407 31.823 -0.010 0.000 0.658 295 V HN 0.345 nan 8.190 nan 0.000 0.452 296 M N -0.754 118.873 119.600 0.045 0.000 2.089 296 M HA -0.258 4.222 4.480 -0.000 0.000 0.257 296 M C 2.249 178.613 176.300 0.106 0.000 1.071 296 M CA 2.055 57.391 55.300 0.060 0.000 1.096 296 M CB -0.617 32.045 32.600 0.103 0.000 1.330 296 M HN 0.290 nan 8.290 nan 0.000 0.403 297 L N -0.030 121.265 121.223 0.121 0.000 2.012 297 L HA -0.246 4.094 4.340 -0.000 0.000 0.210 297 L C 2.397 179.437 176.870 0.283 0.000 1.073 297 L CA 1.267 56.208 54.840 0.169 0.000 0.748 297 L CB -0.562 41.523 42.059 0.042 0.000 0.891 297 L HN 0.324 nan 8.230 nan 0.000 0.431 298 L N -0.698 120.688 121.223 0.271 0.000 2.042 298 L HA -0.242 4.098 4.340 -0.000 0.000 0.210 298 L C 2.552 179.482 176.870 0.100 0.000 1.076 298 L CA 1.126 56.153 54.840 0.311 0.000 0.749 298 L CB -0.413 41.828 42.059 0.303 0.000 0.893 298 L HN 0.227 nan 8.230 nan 0.000 0.432 299 E N -0.398 119.807 120.200 0.008 0.000 2.153 299 E HA -0.169 4.181 4.350 -0.000 0.000 0.194 299 E C 2.058 178.635 176.600 -0.037 0.000 0.988 299 E CA 1.528 57.863 56.400 -0.109 0.000 0.811 299 E CB -0.028 29.634 29.700 -0.063 0.000 0.746 299 E HN 0.308 nan 8.360 nan 0.000 0.466 300 T N -0.664 113.942 114.554 0.087 0.000 2.770 300 T HA -0.141 4.209 4.350 -0.000 0.000 0.263 300 T C 1.926 176.625 174.700 -0.002 0.000 1.039 300 T CA 1.500 63.677 62.100 0.128 0.000 1.142 300 T CB -0.421 68.567 68.868 0.201 0.000 0.868 300 T HN 0.363 nan 8.240 nan 0.000 0.435 301 S N 1.817 117.523 115.700 0.010 0.000 2.419 301 S HA -0.124 4.346 4.470 -0.000 0.000 0.233 301 S C 2.032 176.628 174.600 -0.007 0.000 1.016 301 S CA 0.883 59.053 58.200 -0.050 0.000 0.974 301 S CB -0.430 62.700 63.200 -0.117 0.000 0.786 301 S HN 0.411 nan 8.310 nan 0.000 0.492 302 R N 1.509 121.893 120.500 -0.194 0.000 2.115 302 R HA 0.106 4.446 4.340 -0.000 0.000 0.226 302 R C 1.537 177.719 176.300 -0.196 0.000 1.100 302 R CA 0.803 56.657 56.100 -0.409 0.000 0.980 302 R CB -0.043 29.577 30.300 -1.133 0.000 0.875 302 R HN 0.385 nan 8.270 nan 0.000 0.445 303 R N -0.382 120.023 120.500 -0.159 0.000 2.480 303 R HA 0.032 4.372 4.340 -0.000 0.000 0.277 303 R C -0.666 175.567 176.300 -0.111 0.000 1.008 303 R CA -0.256 55.755 56.100 -0.147 0.000 1.090 303 R CB 0.140 30.330 30.300 -0.183 0.000 1.234 303 R HN 0.168 nan 8.270 nan 0.000 0.549 304 Y N 1.797 121.990 120.300 -0.179 0.000 2.316 304 Y HA 0.130 4.679 4.550 -0.000 0.000 0.331 304 Y C -0.345 175.490 175.900 -0.108 0.000 1.083 304 Y CA -0.724 57.275 58.100 -0.168 0.000 1.206 304 Y CB 0.682 39.043 38.460 -0.165 0.000 1.195 304 Y HN 0.028 nan 8.280 nan 0.000 0.497 305 N N 9.000 127.260 118.700 -0.733 0.000 2.609 305 N HA 0.158 4.898 4.740 -0.000 0.000 0.234 305 N C -2.300 172.738 175.510 -0.787 0.000 1.001 305 N CA -1.633 51.076 53.050 -0.569 0.000 0.926 305 N CB 1.244 39.536 38.487 -0.324 0.000 1.130 305 N HN 0.573 nan 8.380 nan 0.000 0.510 306 P HA -0.086 nan 4.420 nan 0.000 0.231 306 P C 1.121 178.328 177.300 -0.155 0.000 1.158 306 P CA 0.677 63.599 63.100 -0.296 0.000 0.763 306 P CB 0.322 31.989 31.700 -0.054 0.000 0.805 307 G N 1.085 109.782 108.800 -0.171 0.000 2.408 307 G HA2 -0.131 3.829 3.960 -0.000 0.000 0.213 307 G HA3 -0.131 3.829 3.960 -0.000 0.000 0.213 307 G C 1.436 176.294 174.900 -0.070 0.000 1.177 307 G CA 0.896 45.941 45.100 -0.092 0.000 0.802 307 G HN 0.451 nan 8.290 nan 0.000 0.533 308 S N -0.590 115.054 115.700 -0.094 0.000 2.578 308 S HA 0.286 4.756 4.470 -0.000 0.000 0.231 308 S C 0.221 174.818 174.600 -0.005 0.000 0.994 308 S CA 0.257 58.434 58.200 -0.038 0.000 0.956 308 S CB 0.223 63.407 63.200 -0.028 0.000 0.870 308 S HN 0.436 nan 8.310 nan 0.000 0.494 309 E N 1.568 121.736 120.200 -0.054 0.000 2.393 309 E HA -0.156 4.194 4.350 -0.000 0.000 0.169 309 E C -0.498 176.261 176.600 0.265 0.000 1.591 309 E CA 0.672 57.145 56.400 0.121 0.000 0.661 309 E CB -1.748 28.081 29.700 0.215 0.000 1.097 309 E HN 0.824 nan 8.360 nan 0.000 0.356 310 S N -0.058 115.713 115.700 0.119 0.000 2.596 310 S HA 0.808 5.278 4.470 -0.000 0.000 0.270 310 S C -0.452 174.175 174.600 0.044 0.000 1.155 310 S CA -1.085 57.255 58.200 0.232 0.000 0.827 310 S CB 1.952 65.207 63.200 0.091 0.000 1.130 310 S HN 0.227 nan 8.310 nan 0.000 0.467 311 I N 1.813 122.401 120.570 0.031 0.000 2.433 311 I HA 0.495 4.665 4.170 -0.000 0.000 0.292 311 I C -0.327 175.464 176.117 -0.543 0.000 1.001 311 I CA -0.632 60.507 61.300 -0.268 0.000 1.119 311 I CB 2.473 40.292 38.000 -0.302 0.000 1.289 311 I HN 0.893 nan 8.210 nan 0.000 0.438 312 T N 2.370 116.580 114.554 -0.574 0.000 2.791 312 T HA 0.617 4.967 4.350 -0.000 0.000 0.288 312 T C -0.729 173.669 174.700 -0.502 0.000 0.999 312 T CA -0.523 61.266 62.100 -0.519 0.000 0.952 312 T CB 0.350 69.050 68.868 -0.280 0.000 0.938 312 T HN 0.121 nan 8.240 nan 0.000 0.444 313 F N 2.951 122.841 119.950 -0.100 0.000 2.422 313 F HA 0.564 5.091 4.527 -0.000 0.000 0.333 313 F C 1.102 177.011 175.800 0.182 0.000 1.095 313 F CA -2.063 55.928 58.000 -0.015 0.000 1.038 313 F CB 1.102 40.033 39.000 -0.115 0.000 1.156 313 F HN 0.572 nan 8.300 nan 0.000 0.483 314 L N 1.368 122.832 121.223 0.402 0.000 3.737 314 L HA -0.327 4.013 4.340 -0.000 0.000 0.418 314 L C 0.505 177.615 176.870 0.399 0.000 1.216 314 L CA 0.142 55.301 54.840 0.532 0.000 0.915 314 L CB -1.500 40.897 42.059 0.563 0.000 1.834 314 L HN 0.736 nan 8.230 nan 0.000 0.943 315 K N 0.389 120.897 120.400 0.181 0.000 4.116 315 K HA -0.258 4.062 4.320 -0.000 0.000 0.277 315 K C 0.378 176.956 176.600 -0.037 0.000 0.835 315 K CA 1.462 57.773 56.287 0.039 0.000 0.740 315 K CB -0.594 31.927 32.500 0.035 0.000 1.714 315 K HN 0.696 nan 8.250 nan 0.000 0.433 316 D N -0.811 119.500 120.400 -0.149 0.000 1.274 316 D HA -0.075 4.565 4.640 -0.000 0.000 0.860 316 D C -0.389 175.705 176.300 -0.343 0.000 0.364 316 D CA 0.054 53.889 54.000 -0.275 0.000 1.382 316 D CB -0.786 39.766 40.800 -0.414 0.000 0.968 316 D HN 0.124 nan 8.370 nan 0.000 0.390 317 F N 2.441 122.255 119.950 -0.227 0.000 2.625 317 F HA 0.317 4.844 4.527 -0.000 0.000 0.373 317 F C 0.958 176.117 175.800 -1.069 0.000 1.158 317 F CA 0.161 57.828 58.000 -0.554 0.000 1.354 317 F CB -0.295 38.524 39.000 -0.301 0.000 1.692 317 F HN -0.186 nan 8.300 nan 0.000 0.634 318 S N 1.538 116.908 115.700 -0.550 0.000 2.465 318 S HA 0.273 4.743 4.470 -0.000 0.000 0.280 318 S C -0.737 173.656 174.600 -0.346 0.000 1.232 318 S CA -0.218 57.721 58.200 -0.435 0.000 1.066 318 S CB -0.178 62.903 63.200 -0.198 0.000 0.929 318 S HN 0.257 nan 8.310 nan 0.000 0.494 319 Y N 4.590 124.870 120.300 -0.034 0.000 2.409 319 Y HA 0.442 4.992 4.550 -0.000 0.000 0.343 319 Y C 0.590 176.694 175.900 0.341 0.000 0.973 319 Y CA -1.911 56.232 58.100 0.072 0.000 1.064 319 Y CB 1.127 39.602 38.460 0.026 0.000 1.207 319 Y HN 0.735 nan 8.280 nan 0.000 0.452 320 N N 1.522 120.523 118.700 0.502 0.000 2.643 320 N HA 0.319 5.059 4.740 -0.000 0.000 0.305 320 N C 0.586 176.345 175.510 0.414 0.000 1.283 320 N CA -0.644 52.678 53.050 0.453 0.000 0.946 320 N CB 0.868 39.489 38.487 0.223 0.000 1.149 320 N HN 0.612 nan 8.380 nan 0.000 0.600 321 R N -0.332 120.118 120.500 -0.083 0.000 2.127 321 R HA -0.112 4.228 4.340 -0.000 0.000 0.238 321 R C 1.792 178.124 176.300 0.053 0.000 1.134 321 R CA 1.385 57.336 56.100 -0.249 0.000 0.975 321 R CB -0.173 29.818 30.300 -0.515 0.000 0.865 321 R HN 0.723 nan 8.270 nan 0.000 0.447 322 E N 0.752 121.004 120.200 0.086 0.000 2.150 322 E HA -0.176 4.174 4.350 -0.000 0.000 0.193 322 E C 0.767 177.472 176.600 0.175 0.000 0.985 322 E CA 1.260 57.726 56.400 0.111 0.000 0.814 322 E CB 0.199 29.961 29.700 0.104 0.000 0.752 322 E HN 0.275 nan 8.360 nan 0.000 0.466 323 D N -0.055 120.486 120.400 0.235 0.000 2.123 323 D HA -0.121 4.519 4.640 -0.000 0.000 0.200 323 D C 1.566 177.924 176.300 0.097 0.000 0.976 323 D CA 0.783 54.898 54.000 0.191 0.000 0.831 323 D CB -0.554 40.281 40.800 0.058 0.000 0.974 323 D HN 0.213 nan 8.370 nan 0.000 0.469 324 F N 1.360 121.369 119.950 0.098 0.000 2.250 324 F HA -0.143 4.384 4.527 -0.000 0.000 0.301 324 F C 2.381 178.157 175.800 -0.041 0.000 1.077 324 F CA 0.963 58.984 58.000 0.036 0.000 1.348 324 F CB -0.098 39.063 39.000 0.269 0.000 1.040 324 F HN -0.055 nan 8.300 nan 0.000 0.509 325 A N 0.058 122.990 122.820 0.187 0.000 1.874 325 A HA -0.135 4.185 4.320 -0.000 0.000 0.214 325 A C 2.097 179.713 177.584 0.053 0.000 1.189 325 A CA 1.121 53.224 52.037 0.110 0.000 0.615 325 A CB -0.460 18.595 19.000 0.091 0.000 0.830 325 A HN 0.279 nan 8.150 nan 0.000 0.443 326 K N 0.138 120.576 120.400 0.064 0.000 2.360 326 K HA -0.006 4.314 4.320 -0.000 0.000 0.201 326 K C 1.672 178.272 176.600 0.000 0.000 1.046 326 K CA 0.882 57.194 56.287 0.041 0.000 0.945 326 K CB -0.231 32.324 32.500 0.091 0.000 0.750 326 K HN 0.431 nan 8.250 nan 0.000 0.464 327 A N 0.298 123.078 122.820 -0.068 0.000 2.251 327 A HA 0.235 4.555 4.320 -0.000 0.000 0.209 327 A C 1.438 179.034 177.584 0.020 0.000 1.187 327 A CA 0.743 52.686 52.037 -0.156 0.000 0.823 327 A CB -0.087 18.385 19.000 -0.879 0.000 0.846 327 A HN 0.387 nan 8.150 nan 0.000 0.486 328 G N -1.529 107.284 108.800 0.021 0.000 2.179 328 G HA2 -0.157 3.803 3.960 -0.000 0.000 0.220 328 G HA3 -0.157 3.803 3.960 -0.000 0.000 0.220 328 G C 0.054 175.006 174.900 0.087 0.000 0.990 328 G CA 0.011 45.141 45.100 0.049 0.000 0.646 328 G HN 0.340 nan 8.290 nan 0.000 0.517 329 L N 1.615 122.915 121.223 0.128 0.000 2.349 329 L HA 0.359 4.699 4.340 -0.000 0.000 0.275 329 L C 0.690 177.669 176.870 0.183 0.000 1.115 329 L CA -0.789 54.183 54.840 0.220 0.000 0.820 329 L CB 1.000 43.301 42.059 0.405 0.000 1.135 329 L HN 0.150 nan 8.230 nan 0.000 0.445 330 Q N 1.874 121.776 119.800 0.170 0.000 2.373 330 Q HA 0.058 4.398 4.340 -0.000 0.000 0.255 330 Q C 1.088 177.180 176.000 0.153 0.000 0.980 330 Q CA -0.148 55.732 55.803 0.127 0.000 0.882 330 Q CB 1.501 30.294 28.738 0.092 0.000 1.249 330 Q HN 0.487 nan 8.270 nan 0.000 0.438 331 V N 1.998 121.968 119.914 0.094 0.000 2.594 331 V HA -0.285 3.835 4.120 -0.000 0.000 0.253 331 V C 1.962 178.099 176.094 0.072 0.000 1.069 331 V CA 2.291 64.629 62.300 0.064 0.000 1.082 331 V CB -0.711 31.131 31.823 0.031 0.000 0.680 331 V HN 0.830 nan 8.190 nan 0.000 0.469 332 E N -0.341 119.916 120.200 0.095 0.000 2.338 332 E HA -0.220 4.130 4.350 -0.000 0.000 0.197 332 E C 1.963 178.668 176.600 0.175 0.000 1.007 332 E CA 1.358 57.818 56.400 0.099 0.000 0.849 332 E CB -0.286 29.462 29.700 0.081 0.000 0.774 332 E HN 0.563 nan 8.360 nan 0.000 0.506 333 F N 1.210 121.173 119.950 0.022 0.000 2.383 333 F HA 0.287 4.814 4.527 -0.000 0.000 0.287 333 F C 1.778 177.609 175.800 0.050 0.000 1.069 333 F CA -0.118 57.903 58.000 0.035 0.000 1.402 333 F CB 0.017 39.044 39.000 0.046 0.000 1.116 333 F HN -0.108 nan 8.300 nan 0.000 0.549 334 I N 0.624 121.189 120.570 -0.008 0.000 2.163 334 I HA -0.369 3.801 4.170 -0.000 0.000 0.243 334 I C 1.980 178.018 176.117 -0.132 0.000 1.085 334 I CA 1.915 63.129 61.300 -0.144 0.000 1.347 334 I CB -0.805 37.165 38.000 -0.050 0.000 1.044 334 I HN 0.238 nan 8.210 nan 0.000 0.408 335 N N 0.591 119.243 118.700 -0.080 0.000 2.058 335 N HA -0.148 4.592 4.740 -0.000 0.000 0.191 335 N C -0.813 174.688 175.510 -0.015 0.000 1.037 335 N CA 1.253 54.271 53.050 -0.053 0.000 0.848 335 N CB -0.883 37.584 38.487 -0.032 0.000 1.021 335 N HN 0.195 nan 8.380 nan 0.000 0.422 336 P HA -0.166 nan 4.420 nan 0.000 0.216 336 P C 1.233 178.507 177.300 -0.043 0.000 1.153 336 P CA 1.065 64.150 63.100 -0.025 0.000 0.858 336 P CB 0.031 31.719 31.700 -0.020 0.000 0.789 337 I N -2.261 118.205 120.570 -0.174 0.000 2.091 337 I HA -0.306 3.864 4.170 -0.000 0.000 0.239 337 I C 2.138 178.203 176.117 -0.085 0.000 1.061 337 I CA 1.758 62.940 61.300 -0.196 0.000 1.317 337 I CB -0.681 37.068 38.000 -0.417 0.000 1.031 337 I HN -0.120 nan 8.210 nan 0.000 0.401 338 F N 0.928 120.729 119.950 -0.249 0.000 2.134 338 F HA -0.181 4.346 4.527 -0.000 0.000 0.299 338 F C 2.569 178.205 175.800 -0.273 0.000 1.097 338 F CA 1.421 59.262 58.000 -0.265 0.000 1.264 338 F CB -0.623 38.270 39.000 -0.179 0.000 1.001 338 F HN 0.075 nan 8.300 nan 0.000 0.479 339 E N -0.569 119.655 120.200 0.040 0.000 2.058 339 E HA -0.269 4.081 4.350 -0.000 0.000 0.194 339 E C 2.117 178.688 176.600 -0.048 0.000 0.997 339 E CA 1.526 57.922 56.400 -0.007 0.000 0.801 339 E CB -0.482 29.235 29.700 0.029 0.000 0.746 339 E HN 0.394 nan 8.360 nan 0.000 0.450 340 F N 1.677 121.537 119.950 -0.150 0.000 2.161 340 F HA -0.231 4.296 4.527 -0.000 0.000 0.300 340 F C 2.259 177.930 175.800 -0.215 0.000 1.089 340 F CA 1.515 59.427 58.000 -0.146 0.000 1.282 340 F CB -0.236 38.691 39.000 -0.122 0.000 1.010 340 F HN -0.132 nan 8.300 nan 0.000 0.485 341 S N 0.902 116.362 115.700 -0.400 0.000 2.343 341 S HA -0.239 4.231 4.470 -0.000 0.000 0.219 341 S C 2.116 176.246 174.600 -0.783 0.000 1.033 341 S CA 1.385 59.172 58.200 -0.687 0.000 1.014 341 S CB -0.616 62.012 63.200 -0.953 0.000 0.915 341 S HN 0.478 nan 8.310 nan 0.000 0.435 342 R N 1.553 121.532 120.500 -0.869 0.000 2.103 342 R HA -0.167 4.173 4.340 -0.000 0.000 0.242 342 R C 2.283 178.460 176.300 -0.204 0.000 1.142 342 R CA 1.504 57.355 56.100 -0.415 0.000 0.960 342 R CB -0.575 29.630 30.300 -0.159 0.000 0.858 342 R HN 0.384 nan 8.270 nan 0.000 0.439 343 A N 1.285 123.956 122.820 -0.249 0.000 1.835 343 A HA -0.178 4.142 4.320 -0.000 0.000 0.215 343 A C 2.230 179.665 177.584 -0.248 0.000 1.199 343 A CA 1.580 53.496 52.037 -0.201 0.000 0.615 343 A CB -0.531 18.356 19.000 -0.188 0.000 0.838 343 A HN 0.312 nan 8.150 nan 0.000 0.444 344 M N -0.072 119.272 119.600 -0.426 0.000 2.195 344 M HA -0.191 4.289 4.480 -0.000 0.000 0.260 344 M C 1.901 178.102 176.300 -0.165 0.000 1.066 344 M CA 1.903 56.984 55.300 -0.366 0.000 1.089 344 M CB -1.695 30.602 32.600 -0.506 0.000 1.377 344 M HN 0.679 nan 8.290 nan 0.000 0.411 345 N N 0.814 119.446 118.700 -0.114 0.000 2.069 345 N HA -0.189 4.551 4.740 -0.000 0.000 0.191 345 N C 1.355 176.875 175.510 0.017 0.000 1.031 345 N CA 1.714 54.784 53.050 0.033 0.000 0.852 345 N CB -0.132 38.459 38.487 0.175 0.000 1.018 345 N HN 0.434 nan 8.380 nan 0.000 0.423 346 E N -0.400 119.790 120.200 -0.016 0.000 2.401 346 E HA -0.121 4.229 4.350 -0.000 0.000 0.199 346 E C 1.535 178.119 176.600 -0.026 0.000 1.023 346 E CA 0.412 56.806 56.400 -0.011 0.000 0.859 346 E CB -0.063 29.625 29.700 -0.020 0.000 0.780 346 E HN 0.520 nan 8.360 nan 0.000 0.523 347 L N 0.080 121.268 121.223 -0.057 0.000 2.341 347 L HA -0.054 4.286 4.340 -0.000 0.000 0.214 347 L C 0.582 177.427 176.870 -0.042 0.000 1.115 347 L CA 0.250 55.043 54.840 -0.078 0.000 0.820 347 L CB 0.009 41.980 42.059 -0.146 0.000 0.944 347 L HN 0.086 nan 8.230 nan 0.000 0.452 348 Q N 0.382 120.180 119.800 -0.002 0.000 2.487 348 Q HA -0.182 4.158 4.340 -0.000 0.000 0.279 348 Q C -0.036 175.999 176.000 0.059 0.000 1.228 348 Q CA 0.734 56.566 55.803 0.047 0.000 0.873 348 Q CB -2.205 26.573 28.738 0.066 0.000 1.260 348 Q HN 0.467 nan 8.270 nan 0.000 0.471 349 L N 0.775 121.989 121.223 -0.015 0.000 2.473 349 L HA 0.081 4.421 4.340 -0.000 0.000 0.265 349 L C 1.192 178.124 176.870 0.104 0.000 1.243 349 L CA 0.300 55.103 54.840 -0.062 0.000 0.822 349 L CB 0.104 41.885 42.059 -0.463 0.000 1.101 349 L HN 0.313 nan 8.230 nan 0.000 0.507 350 N N -1.520 117.253 118.700 0.122 0.000 3.002 350 N HA 0.222 4.962 4.740 -0.000 0.000 0.331 350 N C -0.077 175.558 175.510 0.208 0.000 1.384 350 N CA -0.748 52.409 53.050 0.179 0.000 0.780 350 N CB 0.310 38.889 38.487 0.154 0.000 1.492 350 N HN 0.393 nan 8.380 nan 0.000 0.608 351 D N 0.002 120.488 120.400 0.144 0.000 2.108 351 D HA -0.157 4.483 4.640 -0.000 0.000 0.190 351 D C 1.882 178.226 176.300 0.073 0.000 0.995 351 D CA 2.874 56.939 54.000 0.108 0.000 0.834 351 D CB -0.814 40.016 40.800 0.051 0.000 0.967 351 D HN 0.657 nan 8.370 nan 0.000 0.446 352 A N 0.558 123.375 122.820 -0.005 0.000 1.896 352 A HA -0.346 3.974 4.320 -0.000 0.000 0.220 352 A C 2.126 179.599 177.584 -0.185 0.000 1.206 352 A CA 2.423 54.371 52.037 -0.148 0.000 0.647 352 A CB -0.990 17.773 19.000 -0.395 0.000 0.828 352 A HN 0.255 nan 8.150 nan 0.000 0.455 353 E N -1.426 118.660 120.200 -0.189 0.000 2.058 353 E HA -0.162 4.188 4.350 -0.000 0.000 0.194 353 E C 1.724 178.247 176.600 -0.130 0.000 0.997 353 E CA 1.574 57.874 56.400 -0.166 0.000 0.801 353 E CB -0.304 29.316 29.700 -0.133 0.000 0.746 353 E HN 0.693 nan 8.360 nan 0.000 0.450 354 F N 0.326 120.245 119.950 -0.051 0.000 2.102 354 F HA -0.213 4.313 4.527 -0.000 0.000 0.298 354 F C 2.321 178.086 175.800 -0.058 0.000 1.105 354 F CA 0.974 58.941 58.000 -0.055 0.000 1.239 354 F CB -0.316 38.639 39.000 -0.074 0.000 0.991 354 F HN 0.063 nan 8.300 nan 0.000 0.474 355 A N 0.312 123.218 122.820 0.142 0.000 1.865 355 A HA -0.210 4.110 4.320 -0.000 0.000 0.217 355 A C 2.184 179.868 177.584 0.167 0.000 1.191 355 A CA 1.747 53.851 52.037 0.111 0.000 0.623 355 A CB -1.226 17.863 19.000 0.147 0.000 0.826 355 A HN 0.396 nan 8.150 nan 0.000 0.444 356 L N -1.225 120.070 121.223 0.120 0.000 2.042 356 L HA -0.199 4.141 4.340 -0.000 0.000 0.210 356 L C 2.582 179.524 176.870 0.120 0.000 1.076 356 L CA 1.233 56.163 54.840 0.151 0.000 0.749 356 L CB -0.472 41.644 42.059 0.094 0.000 0.893 356 L HN 0.481 nan 8.230 nan 0.000 0.432 357 L N 0.021 121.285 121.223 0.068 0.000 2.027 357 L HA -0.179 4.161 4.340 -0.000 0.000 0.206 357 L C 2.322 179.235 176.870 0.072 0.000 1.074 357 L CA 1.673 56.544 54.840 0.051 0.000 0.745 357 L CB -0.424 41.626 42.059 -0.015 0.000 0.898 357 L HN 0.085 nan 8.230 nan 0.000 0.433 358 I N -0.170 120.454 120.570 0.090 0.000 2.118 358 I HA -0.372 3.798 4.170 -0.000 0.000 0.241 358 I C 2.611 178.762 176.117 0.057 0.000 1.070 358 I CA 1.460 62.805 61.300 0.076 0.000 1.327 358 I CB -0.829 37.190 38.000 0.033 0.000 1.034 358 I HN 0.376 nan 8.210 nan 0.000 0.405 359 A N 1.032 123.887 122.820 0.059 0.000 1.948 359 A HA -0.205 4.115 4.320 -0.000 0.000 0.220 359 A C 2.294 179.841 177.584 -0.062 0.000 1.177 359 A CA 1.704 53.646 52.037 -0.157 0.000 0.636 359 A CB -0.875 17.785 19.000 -0.567 0.000 0.815 359 A HN 0.450 nan 8.150 nan 0.000 0.449 360 I N -0.850 119.746 120.570 0.043 0.000 2.315 360 I HA -0.191 3.979 4.170 -0.000 0.000 0.248 360 I C 2.829 179.013 176.117 0.112 0.000 1.117 360 I CA 1.433 62.818 61.300 0.141 0.000 1.404 360 I CB -0.378 37.711 38.000 0.147 0.000 1.071 360 I HN 0.466 nan 8.210 nan 0.000 0.419 361 S N 1.487 117.224 115.700 0.062 0.000 2.348 361 S HA -0.152 4.318 4.470 -0.000 0.000 0.221 361 S C 2.087 176.699 174.600 0.019 0.000 1.033 361 S CA 1.265 59.492 58.200 0.045 0.000 1.010 361 S CB -0.303 62.920 63.200 0.039 0.000 0.891 361 S HN 0.305 nan 8.310 nan 0.000 0.442 362 I N 0.303 120.842 120.570 -0.052 0.000 2.091 362 I HA -0.156 4.014 4.170 -0.000 0.000 0.239 362 I C 0.476 176.512 176.117 -0.135 0.000 1.061 362 I CA 1.031 62.236 61.300 -0.157 0.000 1.317 362 I CB -0.552 37.237 38.000 -0.352 0.000 1.031 362 I HN 0.223 nan 8.210 nan 0.000 0.401 363 F N 2.243 122.224 119.950 0.052 0.000 2.685 363 F HA 0.084 4.611 4.527 -0.000 0.000 0.349 363 F C 0.526 176.372 175.800 0.077 0.000 1.294 363 F CA 0.240 58.291 58.000 0.086 0.000 1.201 363 F CB -0.661 38.397 39.000 0.097 0.000 1.615 363 F HN -0.144 nan 8.300 nan 0.000 0.674 364 S N 1.435 117.248 115.700 0.187 0.000 2.532 364 S HA 0.442 4.912 4.470 -0.000 0.000 0.318 364 S C 1.136 175.804 174.600 0.113 0.000 1.083 364 S CA -0.561 57.718 58.200 0.132 0.000 1.131 364 S CB 1.337 64.588 63.200 0.085 0.000 0.973 364 S HN 0.628 nan 8.310 nan 0.000 0.468 365 A N 2.478 125.366 122.820 0.113 0.000 2.131 365 A HA -0.162 4.158 4.320 -0.000 0.000 0.220 365 A C 1.863 179.483 177.584 0.060 0.000 1.158 365 A CA 1.709 53.797 52.037 0.085 0.000 0.665 365 A CB -0.276 18.769 19.000 0.074 0.000 0.795 365 A HN 0.826 nan 8.150 nan 0.000 0.460 366 D N -1.126 119.307 120.400 0.055 0.000 2.354 366 D HA -0.036 4.604 4.640 -0.000 0.000 0.209 366 D C 0.296 176.619 176.300 0.039 0.000 1.015 366 D CA -0.251 53.774 54.000 0.041 0.000 0.867 366 D CB -0.298 40.522 40.800 0.034 0.000 0.933 366 D HN 0.073 nan 8.370 nan 0.000 0.520 367 R N 2.275 122.802 120.500 0.045 0.000 2.678 367 R HA 0.082 4.422 4.340 -0.000 0.000 0.264 367 R C -1.964 174.358 176.300 0.036 0.000 0.995 367 R CA -1.000 55.126 56.100 0.042 0.000 1.098 367 R CB -1.017 29.311 30.300 0.047 0.000 0.949 367 R HN 0.253 nan 8.270 nan 0.000 0.422 368 P HA 0.039 nan 4.420 nan 0.000 0.268 368 P C -0.680 176.636 177.300 0.026 0.000 1.204 368 P CA -0.094 63.024 63.100 0.029 0.000 0.768 368 P CB 0.328 32.047 31.700 0.031 0.000 0.842 369 N N -1.165 117.548 118.700 0.021 0.000 2.829 369 N HA -0.122 4.618 4.740 -0.000 0.000 0.250 369 N C -0.497 175.021 175.510 0.014 0.000 1.090 369 N CA 0.548 53.608 53.050 0.017 0.000 0.781 369 N CB -1.971 36.526 38.487 0.016 0.000 1.124 369 N HN 0.167 nan 8.380 nan 0.000 0.559 370 V N 0.725 120.649 119.914 0.018 0.000 2.498 370 V HA 0.155 4.275 4.120 -0.000 0.000 0.279 370 V C 1.426 177.528 176.094 0.013 0.000 1.048 370 V CA -0.055 62.255 62.300 0.017 0.000 0.967 370 V CB 1.755 33.596 31.823 0.030 0.000 0.988 370 V HN 0.191 nan 8.190 nan 0.000 0.473 371 Q N 3.024 122.827 119.800 0.006 0.000 1.961 371 Q HA -0.039 4.301 4.340 -0.000 0.000 0.197 371 Q C 1.109 177.114 176.000 0.008 0.000 0.977 371 Q CA 1.464 57.269 55.803 0.004 0.000 0.830 371 Q CB -0.021 28.715 28.738 -0.004 0.000 0.896 371 Q HN 0.768 nan 8.270 nan 0.000 0.437 372 D N 0.548 120.953 120.400 0.008 0.000 2.563 372 D HA 0.035 4.675 4.640 -0.000 0.000 0.222 372 D C 0.137 176.453 176.300 0.026 0.000 1.145 372 D CA 0.024 54.032 54.000 0.013 0.000 1.001 372 D CB 0.399 41.203 40.800 0.007 0.000 1.049 372 D HN 0.389 nan 8.370 nan 0.000 0.515 373 Q N 1.442 121.258 119.800 0.027 0.000 2.167 373 Q HA -0.118 4.222 4.340 -0.000 0.000 0.202 373 Q C 1.844 177.867 176.000 0.037 0.000 0.970 373 Q CA 0.414 56.239 55.803 0.037 0.000 0.855 373 Q CB 0.475 29.231 28.738 0.031 0.000 0.911 373 Q HN 0.455 nan 8.270 nan 0.000 0.438 374 L N 1.032 122.270 121.223 0.025 0.000 2.046 374 L HA -0.224 4.116 4.340 -0.000 0.000 0.208 374 L C 2.335 179.219 176.870 0.023 0.000 1.077 374 L CA 2.007 56.860 54.840 0.021 0.000 0.747 374 L CB -0.651 41.416 42.059 0.012 0.000 0.896 374 L HN 0.279 nan 8.230 nan 0.000 0.432 375 Q N -0.673 119.140 119.800 0.022 0.000 2.049 375 Q HA -0.124 4.216 4.340 -0.000 0.000 0.198 375 Q C 2.088 178.102 176.000 0.024 0.000 0.971 375 Q CA 1.943 57.755 55.803 0.016 0.000 0.833 375 Q CB -0.311 28.433 28.738 0.011 0.000 0.896 375 Q HN 0.314 nan 8.270 nan 0.000 0.434 376 V N 0.954 120.906 119.914 0.064 0.000 2.392 376 V HA -0.271 3.849 4.120 -0.000 0.000 0.249 376 V C 2.236 178.394 176.094 0.106 0.000 1.059 376 V CA 2.183 64.562 62.300 0.132 0.000 1.051 376 V CB -0.654 31.271 31.823 0.171 0.000 0.658 376 V HN 0.485 nan 8.190 nan 0.000 0.455 377 E N 0.045 120.292 120.200 0.078 0.000 2.023 377 E HA -0.239 4.111 4.350 -0.000 0.000 0.196 377 E C 2.531 179.176 176.600 0.074 0.000 1.003 377 E CA 1.478 57.924 56.400 0.076 0.000 0.809 377 E CB -0.099 29.629 29.700 0.046 0.000 0.755 377 E HN 0.478 nan 8.360 nan 0.000 0.449 378 R N 0.093 120.620 120.500 0.045 0.000 2.094 378 R HA -0.198 4.142 4.340 -0.000 0.000 0.239 378 R C 2.611 178.915 176.300 0.007 0.000 1.137 378 R CA 1.650 57.781 56.100 0.052 0.000 0.943 378 R CB -0.595 29.716 30.300 0.018 0.000 0.850 378 R HN 0.268 nan 8.270 nan 0.000 0.433 379 L N 0.572 121.727 121.223 -0.113 0.000 2.043 379 L HA -0.273 4.067 4.340 -0.000 0.000 0.212 379 L C 2.877 179.654 176.870 -0.155 0.000 1.075 379 L CA 1.562 56.205 54.840 -0.328 0.000 0.752 379 L CB -0.502 41.051 42.059 -0.843 0.000 0.891 379 L HN 0.363 nan 8.230 nan 0.000 0.432 380 Q N -0.594 119.216 119.800 0.017 0.000 2.079 380 Q HA -0.271 4.069 4.340 -0.000 0.000 0.200 380 Q C 2.256 178.423 176.000 0.279 0.000 0.974 380 Q CA 1.601 57.550 55.803 0.244 0.000 0.840 380 Q CB -0.197 28.691 28.738 0.249 0.000 0.898 380 Q HN 0.596 nan 8.270 nan 0.000 0.430 381 H N -0.692 118.432 119.070 0.089 0.000 2.357 381 H HA -0.139 4.417 4.556 -0.000 0.000 0.296 381 H C 1.559 176.919 175.328 0.054 0.000 1.108 381 H CA 1.670 57.764 56.048 0.076 0.000 1.273 381 H CB 0.265 30.048 29.762 0.034 0.000 1.367 381 H HN 0.314 nan 8.280 nan 0.000 0.498 382 T N 0.088 114.581 114.554 -0.101 0.000 2.684 382 T HA -0.200 4.150 4.350 -0.000 0.000 0.267 382 T C 1.544 176.088 174.700 -0.260 0.000 1.036 382 T CA 1.773 63.686 62.100 -0.311 0.000 1.148 382 T CB -0.541 68.067 68.868 -0.432 0.000 0.863 382 T HN 0.466 nan 8.240 nan 0.000 0.436 383 Y N 0.629 120.939 120.300 0.018 0.000 2.439 383 Y HA 0.024 4.574 4.550 -0.000 0.000 0.292 383 Y C 2.469 178.446 175.900 0.129 0.000 1.130 383 Y CA 0.006 58.154 58.100 0.080 0.000 1.254 383 Y CB -0.578 37.962 38.460 0.134 0.000 1.000 383 Y HN 0.021 nan 8.280 nan 0.000 0.554 384 V N -0.200 119.889 119.914 0.292 0.000 2.379 384 V HA -0.197 3.923 4.120 -0.000 0.000 0.245 384 V C 2.138 178.415 176.094 0.304 0.000 1.044 384 V CA 1.693 64.204 62.300 0.353 0.000 1.036 384 V CB -0.327 31.727 31.823 0.384 0.000 0.664 384 V HN 0.324 nan 8.190 nan 0.000 0.453 385 E N 0.565 120.843 120.200 0.131 0.000 2.047 385 E HA -0.144 4.206 4.350 -0.000 0.000 0.191 385 E C 2.413 179.028 176.600 0.024 0.000 0.987 385 E CA 1.471 57.891 56.400 0.033 0.000 0.799 385 E CB -0.647 28.974 29.700 -0.131 0.000 0.752 385 E HN 0.527 nan 8.360 nan 0.000 0.449 386 A N 1.675 124.503 122.820 0.014 0.000 1.873 386 A HA -0.215 4.105 4.320 -0.000 0.000 0.218 386 A C 2.319 179.986 177.584 0.138 0.000 1.193 386 A CA 1.794 53.858 52.037 0.045 0.000 0.629 386 A CB -0.871 18.137 19.000 0.014 0.000 0.826 386 A HN 0.261 nan 8.150 nan 0.000 0.447 387 L N -1.086 120.248 121.223 0.185 0.000 2.042 387 L HA -0.212 4.128 4.340 -0.000 0.000 0.210 387 L C 2.408 179.419 176.870 0.235 0.000 1.076 387 L CA 2.806 57.792 54.840 0.244 0.000 0.749 387 L CB -0.765 41.483 42.059 0.314 0.000 0.893 387 L HN 0.610 nan 8.230 nan 0.000 0.432 388 H N 0.053 119.053 119.070 -0.117 0.000 2.267 388 H HA -0.139 4.417 4.556 -0.000 0.000 0.297 388 H C 2.077 177.245 175.328 -0.267 0.000 1.080 388 H CA 1.911 57.544 56.048 -0.692 0.000 1.278 388 H CB -0.487 28.686 29.762 -0.982 0.000 1.365 388 H HN 0.454 nan 8.280 nan 0.000 0.489 389 A N -0.039 122.776 122.820 -0.008 0.000 1.908 389 A HA -0.246 4.074 4.320 -0.000 0.000 0.218 389 A C 2.531 180.149 177.584 0.057 0.000 1.181 389 A CA 1.767 53.782 52.037 -0.037 0.000 0.627 389 A CB -1.437 17.532 19.000 -0.052 0.000 0.818 389 A HN 0.659 nan 8.150 nan 0.000 0.445 390 Y N 1.068 121.379 120.300 0.019 0.000 2.128 390 Y HA -0.233 4.317 4.550 -0.000 0.000 0.284 390 Y C 2.440 178.393 175.900 0.088 0.000 1.154 390 Y CA 2.549 60.678 58.100 0.048 0.000 1.149 390 Y CB -0.186 38.319 38.460 0.074 0.000 0.976 390 Y HN 0.198 nan 8.280 nan 0.000 0.505 391 V N -2.680 117.458 119.914 0.373 0.000 2.667 391 V HA -0.153 3.967 4.120 -0.000 0.000 0.252 391 V C 2.340 178.551 176.094 0.195 0.000 1.065 391 V CA 1.731 64.250 62.300 0.365 0.000 1.083 391 V CB -1.219 30.788 31.823 0.308 0.000 0.692 391 V HN 0.433 nan 8.190 nan 0.000 0.468 392 S N 0.794 116.558 115.700 0.107 0.000 2.359 392 S HA -0.149 4.321 4.470 -0.000 0.000 0.224 392 S C 1.873 176.451 174.600 -0.037 0.000 1.035 392 S CA 2.250 60.472 58.200 0.037 0.000 1.018 392 S CB -0.503 62.687 63.200 -0.017 0.000 0.876 392 S HN 0.654 nan 8.310 nan 0.000 0.448 393 I N 1.269 121.781 120.570 -0.096 0.000 2.233 393 I HA -0.112 4.058 4.170 -0.000 0.000 0.243 393 I C 1.217 177.197 176.117 -0.228 0.000 1.093 393 I CA 1.236 62.436 61.300 -0.168 0.000 1.380 393 I CB -0.438 37.437 38.000 -0.209 0.000 1.067 393 I HN 0.303 nan 8.210 nan 0.000 0.413 394 N N -0.487 118.028 118.700 -0.308 0.000 2.322 394 N HA 0.015 4.755 4.740 -0.000 0.000 0.194 394 N C -0.325 174.815 175.510 -0.618 0.000 1.126 394 N CA 0.338 53.122 53.050 -0.444 0.000 0.845 394 N CB 0.093 38.233 38.487 -0.579 0.000 0.976 394 N HN 0.394 nan 8.380 nan 0.000 0.475 395 H N -2.139 116.866 119.070 -0.109 0.000 2.947 395 H HA 0.204 4.760 4.556 -0.000 0.000 0.222 395 H C -2.003 173.243 175.328 -0.137 0.000 1.414 395 H CA -1.107 54.894 56.048 -0.078 0.000 1.224 395 H CB 0.966 30.724 29.762 -0.006 0.000 2.100 395 H HN 0.036 nan 8.280 nan 0.000 0.524 396 P HA -0.192 nan 4.420 nan 0.000 0.216 396 P C 0.523 177.646 177.300 -0.294 0.000 1.150 396 P CA 1.344 64.245 63.100 -0.332 0.000 0.843 396 P CB 0.220 31.584 31.700 -0.559 0.000 0.787 397 H N -0.973 118.127 119.070 0.050 0.000 2.727 397 H HA 0.300 4.856 4.556 -0.000 0.000 0.312 397 H C -0.190 175.176 175.328 0.064 0.000 1.204 397 H CA 0.276 56.352 56.048 0.046 0.000 1.122 397 H CB -0.610 29.172 29.762 0.033 0.000 1.453 397 H HN 0.134 nan 8.280 nan 0.000 0.514 398 D N 0.556 121.024 120.400 0.112 0.000 3.491 398 D HA 0.007 4.647 4.640 -0.000 0.000 0.240 398 D C -2.049 174.294 176.300 0.072 0.000 1.487 398 D CA -0.739 53.318 54.000 0.094 0.000 0.936 398 D CB 0.646 41.508 40.800 0.103 0.000 1.451 398 D HN 0.076 nan 8.370 nan 0.000 0.678 399 P HA -0.011 nan 4.420 nan 0.000 0.226 399 P C 1.545 178.892 177.300 0.078 0.000 1.153 399 P CA 0.168 63.314 63.100 0.076 0.000 0.777 399 P CB 0.487 32.230 31.700 0.071 0.000 0.794 400 L N -1.473 119.781 121.223 0.052 0.000 2.610 400 L HA 0.012 4.352 4.340 -0.000 0.000 0.232 400 L C 2.546 179.424 176.870 0.013 0.000 1.149 400 L CA 0.258 55.119 54.840 0.035 0.000 0.872 400 L CB -0.691 41.379 42.059 0.018 0.000 0.992 400 L HN -0.027 nan 8.230 nan 0.000 0.447 401 M N 0.018 119.621 119.600 0.005 0.000 2.108 401 M HA -0.264 4.216 4.480 -0.000 0.000 0.261 401 M C 1.952 178.256 176.300 0.007 0.000 1.066 401 M CA 1.976 57.246 55.300 -0.051 0.000 1.107 401 M CB -0.449 32.060 32.600 -0.152 0.000 1.356 401 M HN 0.170 nan 8.290 nan 0.000 0.406 402 F N 1.708 121.590 119.950 -0.114 0.000 2.010 402 F HA -0.089 4.438 4.527 -0.000 0.000 0.296 402 F C -0.838 174.882 175.800 -0.134 0.000 1.146 402 F CA 1.864 59.770 58.000 -0.157 0.000 1.181 402 F CB -2.109 36.700 39.000 -0.319 0.000 0.965 402 F HN 0.174 nan 8.300 nan 0.000 0.480 403 P HA -0.255 nan 4.420 nan 0.000 0.216 403 P C 1.540 178.720 177.300 -0.200 0.000 1.150 403 P CA 1.961 64.907 63.100 -0.257 0.000 0.843 403 P CB -0.431 31.218 31.700 -0.085 0.000 0.787 404 R N -0.732 119.691 120.500 -0.128 0.000 2.159 404 R HA -0.047 4.293 4.340 -0.000 0.000 0.237 404 R C 2.371 178.594 176.300 -0.129 0.000 1.131 404 R CA 1.371 57.409 56.100 -0.104 0.000 0.982 404 R CB -0.373 29.879 30.300 -0.080 0.000 0.868 404 R HN 0.196 nan 8.270 nan 0.000 0.453 405 M N -0.394 119.100 119.600 -0.177 0.000 2.276 405 M HA -0.041 4.439 4.480 -0.000 0.000 0.262 405 M C 2.142 178.331 176.300 -0.185 0.000 1.098 405 M CA 0.975 56.170 55.300 -0.174 0.000 1.167 405 M CB -0.130 32.369 32.600 -0.168 0.000 1.337 405 M HN 0.126 nan 8.290 nan 0.000 0.446 406 L N 0.214 121.253 121.223 -0.306 0.000 2.043 406 L HA -0.256 4.084 4.340 -0.000 0.000 0.212 406 L C 2.668 179.452 176.870 -0.143 0.000 1.075 406 L CA 0.985 55.664 54.840 -0.267 0.000 0.752 406 L CB -0.662 41.145 42.059 -0.420 0.000 0.891 406 L HN 0.391 nan 8.230 nan 0.000 0.432 407 M N -0.535 118.988 119.600 -0.130 0.000 2.279 407 M HA -0.165 4.315 4.480 -0.000 0.000 0.264 407 M C 2.120 178.408 176.300 -0.019 0.000 1.062 407 M CA 1.442 56.703 55.300 -0.066 0.000 1.099 407 M CB -0.880 31.686 32.600 -0.058 0.000 1.394 407 M HN 0.130 nan 8.290 nan 0.000 0.426 408 K N 0.371 120.766 120.400 -0.010 0.000 2.281 408 K HA -0.034 4.286 4.320 -0.000 0.000 0.203 408 K C 2.033 178.681 176.600 0.080 0.000 1.046 408 K CA 0.824 57.160 56.287 0.082 0.000 0.938 408 K CB -0.618 31.930 32.500 0.081 0.000 0.737 408 K HN 0.418 nan 8.250 nan 0.000 0.458 409 L N 0.260 121.495 121.223 0.020 0.000 2.046 409 L HA -0.188 4.152 4.340 -0.000 0.000 0.208 409 L C 2.329 179.202 176.870 0.004 0.000 1.077 409 L CA 0.897 55.746 54.840 0.014 0.000 0.747 409 L CB -0.501 41.557 42.059 -0.003 0.000 0.896 409 L HN -0.101 nan 8.230 nan 0.000 0.432 410 V N -0.826 119.086 119.914 -0.003 0.000 2.261 410 V HA -0.298 3.822 4.120 -0.000 0.000 0.246 410 V C 2.560 178.648 176.094 -0.010 0.000 1.047 410 V CA 2.086 64.383 62.300 -0.006 0.000 1.015 410 V CB -0.590 31.228 31.823 -0.008 0.000 0.642 410 V HN 0.395 nan 8.190 nan 0.000 0.446 411 S N 0.146 115.848 115.700 0.004 0.000 2.380 411 S HA -0.225 4.245 4.470 -0.000 0.000 0.229 411 S C 1.887 176.423 174.600 -0.106 0.000 1.043 411 S CA 1.763 59.955 58.200 -0.013 0.000 1.038 411 S CB -0.517 62.728 63.200 0.075 0.000 0.872 411 S HN 0.474 nan 8.310 nan 0.000 0.456 412 L N 0.729 121.883 121.223 -0.115 0.000 2.191 412 L HA -0.091 4.249 4.340 -0.000 0.000 0.212 412 L C 2.611 179.425 176.870 -0.093 0.000 1.103 412 L CA 0.840 55.577 54.840 -0.172 0.000 0.769 412 L CB -0.344 41.659 42.059 -0.094 0.000 0.908 412 L HN 0.164 nan 8.230 nan 0.000 0.438 413 R N -0.702 119.769 120.500 -0.048 0.000 2.115 413 R HA -0.047 4.293 4.340 -0.000 0.000 0.226 413 R C 2.202 178.488 176.300 -0.024 0.000 1.100 413 R CA 1.233 57.319 56.100 -0.024 0.000 0.980 413 R CB -1.129 29.165 30.300 -0.010 0.000 0.875 413 R HN 0.289 nan 8.270 nan 0.000 0.445 414 T N 1.884 116.418 114.554 -0.033 0.000 2.770 414 T HA 0.017 4.367 4.350 -0.000 0.000 0.263 414 T C 1.985 176.680 174.700 -0.008 0.000 1.039 414 T CA 0.815 62.903 62.100 -0.020 0.000 1.142 414 T CB -0.122 68.733 68.868 -0.021 0.000 0.868 414 T HN 0.105 nan 8.240 nan 0.000 0.435 415 L N 0.910 122.107 121.223 -0.044 0.000 2.191 415 L HA -0.057 4.283 4.340 -0.000 0.000 0.212 415 L C 2.739 179.661 176.870 0.086 0.000 1.103 415 L CA 0.776 55.623 54.840 0.011 0.000 0.769 415 L CB -0.455 41.507 42.059 -0.163 0.000 0.908 415 L HN 0.261 nan 8.230 nan 0.000 0.438 416 S N -1.214 114.494 115.700 0.013 0.000 2.428 416 S HA -0.147 4.323 4.470 -0.000 0.000 0.230 416 S C 2.241 176.854 174.600 0.022 0.000 1.014 416 S CA 1.351 59.561 58.200 0.017 0.000 0.957 416 S CB -0.001 63.199 63.200 0.001 0.000 0.784 416 S HN 0.433 nan 8.310 nan 0.000 0.499 417 S N 0.404 116.110 115.700 0.010 0.000 2.345 417 S HA -0.018 4.452 4.470 -0.000 0.000 0.219 417 S C 1.797 176.376 174.600 -0.034 0.000 1.031 417 S CA 1.334 59.527 58.200 -0.012 0.000 0.984 417 S CB -0.522 62.670 63.200 -0.013 0.000 0.874 417 S HN 0.355 nan 8.310 nan 0.000 0.451 418 V N 2.435 122.352 119.914 0.004 0.000 2.688 418 V HA -0.146 3.974 4.120 -0.000 0.000 0.256 418 V C 2.447 178.409 176.094 -0.220 0.000 1.084 418 V CA 2.043 64.339 62.300 -0.007 0.000 1.103 418 V CB -0.970 30.952 31.823 0.165 0.000 0.688 418 V HN 0.669 nan 8.190 nan 0.000 0.480 419 H N 0.661 119.500 119.070 -0.384 0.000 2.403 419 H HA -0.085 4.471 4.556 -0.000 0.000 0.298 419 H C 2.446 177.455 175.328 -0.531 0.000 1.059 419 H CA 1.733 57.319 56.048 -0.771 0.000 1.363 419 H CB 0.202 29.602 29.762 -0.603 0.000 1.410 419 H HN 0.597 nan 8.280 nan 0.000 0.528 420 S N 0.140 115.685 115.700 -0.258 0.000 2.383 420 S HA -0.120 4.350 4.470 -0.000 0.000 0.227 420 S C 1.960 176.444 174.600 -0.193 0.000 1.026 420 S CA 1.169 59.252 58.200 -0.196 0.000 0.981 420 S CB -0.214 62.944 63.200 -0.069 0.000 0.818 420 S HN 0.447 nan 8.310 nan 0.000 0.472 421 E N 0.808 120.893 120.200 -0.191 0.000 2.106 421 E HA -0.146 4.204 4.350 -0.000 0.000 0.192 421 E C 2.269 178.798 176.600 -0.119 0.000 0.984 421 E CA 1.093 57.420 56.400 -0.121 0.000 0.806 421 E CB -0.189 29.442 29.700 -0.115 0.000 0.750 421 E HN 0.532 nan 8.360 nan 0.000 0.458 422 Q N 0.574 120.177 119.800 -0.328 0.000 2.030 422 Q HA -0.157 4.183 4.340 -0.000 0.000 0.204 422 Q C 2.088 177.895 176.000 -0.321 0.000 0.986 422 Q CA 1.598 57.171 55.803 -0.382 0.000 0.843 422 Q CB -0.518 27.749 28.738 -0.786 0.000 0.904 422 Q HN 0.148 nan 8.270 nan 0.000 0.420 423 V N 0.639 120.274 119.914 -0.466 0.000 2.332 423 V HA -0.234 3.886 4.120 -0.000 0.000 0.248 423 V C 2.087 178.128 176.094 -0.087 0.000 1.055 423 V CA 2.005 64.123 62.300 -0.303 0.000 1.038 423 V CB -0.770 30.842 31.823 -0.353 0.000 0.651 423 V HN 0.535 nan 8.190 nan 0.000 0.450 424 F N 1.555 121.400 119.950 -0.174 0.000 2.171 424 F HA -0.127 4.400 4.527 -0.000 0.000 0.300 424 F C 2.164 177.910 175.800 -0.090 0.000 1.090 424 F CA 1.458 59.396 58.000 -0.104 0.000 1.293 424 F CB -0.418 38.527 39.000 -0.091 0.000 1.013 424 F HN 0.079 nan 8.300 nan 0.000 0.486 425 A N 0.657 123.464 122.820 -0.021 0.000 2.121 425 A HA -0.071 4.249 4.320 -0.000 0.000 0.218 425 A C 2.258 179.725 177.584 -0.194 0.000 1.154 425 A CA 1.174 53.138 52.037 -0.122 0.000 0.679 425 A CB -1.151 17.849 19.000 0.000 0.000 0.795 425 A HN 0.554 nan 8.150 nan 0.000 0.458 426 L N -0.927 120.192 121.223 -0.173 0.000 2.081 426 L HA -0.274 4.066 4.340 -0.000 0.000 0.212 426 L C 2.817 179.572 176.870 -0.191 0.000 1.080 426 L CA 1.572 56.320 54.840 -0.153 0.000 0.754 426 L CB -0.396 41.613 42.059 -0.082 0.000 0.893 426 L HN 0.431 nan 8.230 nan 0.000 0.433 427 R N -0.310 120.040 120.500 -0.250 0.000 2.094 427 R HA -0.186 4.154 4.340 -0.000 0.000 0.239 427 R C 1.806 177.983 176.300 -0.206 0.000 1.137 427 R CA 1.166 57.122 56.100 -0.240 0.000 0.943 427 R CB -0.486 29.610 30.300 -0.340 0.000 0.850 427 R HN 0.184 nan 8.270 nan 0.000 0.433 428 L N 1.504 122.592 121.223 -0.225 0.000 2.633 428 L HA -0.083 4.257 4.340 -0.000 0.000 0.235 428 L C 1.455 178.246 176.870 -0.131 0.000 1.163 428 L CA 1.437 56.183 54.840 -0.156 0.000 0.859 428 L CB -1.037 40.942 42.059 -0.133 0.000 0.973 428 L HN 0.354 nan 8.230 nan 0.000 0.451 429 Q N -0.858 118.850 119.800 -0.153 0.000 2.282 429 Q HA -0.009 4.331 4.340 -0.000 0.000 0.206 429 Q C -0.110 175.788 176.000 -0.171 0.000 0.878 429 Q CA -0.193 55.516 55.803 -0.157 0.000 0.944 429 Q CB 0.563 29.189 28.738 -0.186 0.000 1.100 429 Q HN 0.263 nan 8.270 nan 0.000 0.509 430 D N 1.424 121.732 120.400 -0.154 0.000 2.775 430 D HA -0.137 4.503 4.640 -0.000 0.000 0.235 430 D C -1.032 175.163 176.300 -0.175 0.000 1.120 430 D CA 1.180 55.097 54.000 -0.137 0.000 0.708 430 D CB -0.874 39.858 40.800 -0.114 0.000 1.084 430 D HN 0.500 nan 8.370 nan 0.000 0.434 431 K N -1.039 119.234 120.400 -0.212 0.000 2.587 431 K HA 0.659 4.979 4.320 -0.000 0.000 0.276 431 K C -0.865 175.638 176.600 -0.162 0.000 0.956 431 K CA -1.141 54.982 56.287 -0.273 0.000 0.857 431 K CB 1.651 33.766 32.500 -0.641 0.000 1.431 431 K HN -0.045 nan 8.250 nan 0.000 0.420 432 K N 1.395 121.791 120.400 -0.007 0.000 2.400 432 K HA 0.496 4.816 4.320 -0.000 0.000 0.246 432 K C -0.803 175.992 176.600 0.325 0.000 0.995 432 K CA -0.994 55.365 56.287 0.119 0.000 0.840 432 K CB 1.885 34.428 32.500 0.072 0.000 1.293 432 K HN 0.391 nan 8.250 nan 0.000 0.445 433 L N 2.407 123.794 121.223 0.273 0.000 2.350 433 L HA 0.338 4.678 4.340 -0.000 0.000 0.275 433 L C -2.178 174.782 176.870 0.149 0.000 1.099 433 L CA -2.072 52.925 54.840 0.262 0.000 0.808 433 L CB 0.385 42.607 42.059 0.271 0.000 1.149 433 L HN 0.283 nan 8.230 nan 0.000 0.442 434 P HA -0.034 nan 4.420 nan 0.000 0.264 434 P C -1.786 175.530 177.300 0.027 0.000 1.179 434 P CA -0.805 62.316 63.100 0.036 0.000 0.763 434 P CB 0.045 31.736 31.700 -0.015 0.000 0.806 435 P HA -0.251 nan 4.420 nan 0.000 0.219 435 P C 1.307 178.599 177.300 -0.013 0.000 1.153 435 P CA 1.354 64.461 63.100 0.011 0.000 0.865 435 P CB -0.004 31.700 31.700 0.006 0.000 0.788 436 L N -0.658 120.540 121.223 -0.042 0.000 2.005 436 L HA -0.097 4.243 4.340 -0.000 0.000 0.207 436 L C 2.722 179.513 176.870 -0.132 0.000 1.072 436 L CA 1.614 56.403 54.840 -0.085 0.000 0.744 436 L CB -1.449 40.546 42.059 -0.106 0.000 0.895 436 L HN -0.180 nan 8.230 nan 0.000 0.433 437 L N -1.028 120.114 121.223 -0.135 0.000 2.042 437 L HA -0.233 4.107 4.340 -0.000 0.000 0.210 437 L C 2.727 179.599 176.870 0.004 0.000 1.076 437 L CA 1.596 56.326 54.840 -0.184 0.000 0.749 437 L CB -0.865 41.190 42.059 -0.007 0.000 0.893 437 L HN 0.412 nan 8.230 nan 0.000 0.432 438 S N -0.331 115.410 115.700 0.069 0.000 2.368 438 S HA -0.258 4.212 4.470 -0.000 0.000 0.225 438 S C 1.954 176.602 174.600 0.079 0.000 1.030 438 S CA 1.676 59.946 58.200 0.117 0.000 0.999 438 S CB -0.140 63.112 63.200 0.087 0.000 0.844 438 S HN 0.478 nan 8.310 nan 0.000 0.459 439 E N 0.482 120.691 120.200 0.015 0.000 2.153 439 E HA -0.151 4.199 4.350 -0.000 0.000 0.194 439 E C 1.929 178.525 176.600 -0.007 0.000 0.988 439 E CA 1.553 57.954 56.400 0.002 0.000 0.811 439 E CB -0.244 29.441 29.700 -0.025 0.000 0.746 439 E HN 0.860 nan 8.360 nan 0.000 0.466 440 I N -3.485 117.040 120.570 -0.074 0.000 3.228 440 I HA 0.078 4.248 4.170 -0.000 0.000 0.279 440 I C 1.072 177.227 176.117 0.063 0.000 1.221 440 I CA -0.038 61.189 61.300 -0.121 0.000 1.458 440 I CB 0.034 37.801 38.000 -0.389 0.000 1.105 440 I HN 0.026 nan 8.210 nan 0.000 0.445 441 W N 1.453 122.787 121.300 0.057 0.000 2.870 441 W HA 0.295 4.955 4.660 -0.000 0.000 0.358 441 W C 0.706 177.266 176.519 0.069 0.000 1.043 441 W CA -0.287 57.110 57.345 0.085 0.000 1.692 441 W CB -0.046 29.498 29.460 0.140 0.000 1.100 441 W HN 0.186 nan 8.180 nan 0.000 0.557 442 D N -0.009 120.544 120.400 0.256 0.000 2.360 442 D HA -0.011 4.629 4.640 -0.000 0.000 0.210 442 D C 1.448 177.824 176.300 0.126 0.000 1.047 442 D CA 0.388 54.487 54.000 0.165 0.000 0.854 442 D CB 0.580 41.455 40.800 0.124 0.000 0.936 442 D HN -0.174 nan 8.370 nan 0.000 0.514 443 V N 0.000 119.991 119.914 0.129 0.000 2.409 443 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 443 V CA 0.000 62.356 62.300 0.094 0.000 1.235 443 V CB 0.000 31.874 31.823 0.085 0.000 1.184 443 V HN 0.000 nan 8.190 nan 0.000 0.556