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 2uxx_1_A DATA FIRST_RESID 171 DATA SEQUENCE PSGVEGAAFQ SRLPHDRMTS QEAACFPDII SGPQQTQKVF LFIRNRTLQL DATA SEQUENCE WLDNPKIQLT FEATLQQLEA PYNSDTVLVH RVHSYLERHG LINFGIYKRI DATA SEQUENCE KPLPTKKTGK VIIIGSGVSG LAAARQLQSF GMDVTLLEAR DRVGGRVATF DATA SEQUENCE RKGNYVADLG AMVVTGLGGN PMAVVSKQVN MELAKIKQKC PLYEANGQAV DATA SEQUENCE PKEKDEMVEQ EFNRLLEATS YLSHQLDFNV LNNKPVSLGQ ALEVVIQLQE DATA SEQUENCE KHVKDEQIEH WKKIVKTQEE LKELLNKMVN LKEKIKELHQ QYKEASEVKP DATA SEQUENCE PRDITAEFLV KSKHRDLTAL CKEYDELAET QGKLEEKLQE LEANPPSDVY DATA SEQUENCE LSSRDRQILD WHFANLEFAN ATPLSTLSLK HWDQDDDFEF TGSHLTVRNG DATA SEQUENCE YSCVPVALAE GLDIKLNTAV RQVRYTASGC EVIAVNTRST SQTFIYKCDA DATA SEQUENCE VLCTLPLGVL KQQPPAVQFV PPLPEWKTSA VQRMGFGNLN KVVLCFDRVF DATA SEQUENCE WDPSVNLFGH VGSTTASRGE LFLFWNLYKA PILLALVAGE AAGIMENISD DATA SEQUENCE DVIVGRCLAI LKGIFGSSAV PQPKETVVSR WRADPWARGS YSYVAAGSSG DATA SEQUENCE NDYDLMAQPI TPGPSIPGAP QPIPRLFFAG EHTIRNYPAT VHGALLSGLR DATA SEQUENCE EAGRIADQFL GAMYT 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 171 P HA 0.000 nan 4.420 nan 0.000 0.216 171 P C 0.000 177.216 177.300 -0.139 0.000 1.155 171 P CA 0.000 62.951 63.100 -0.248 0.000 0.800 171 P CB 0.000 31.503 31.700 -0.329 0.000 0.726 172 S N -0.376 115.255 115.700 -0.114 0.000 2.715 172 S HA 0.888 5.358 4.470 0.001 0.000 0.307 172 S C 0.596 175.151 174.600 -0.075 0.000 1.119 172 S CA 0.138 58.292 58.200 -0.077 0.000 0.937 172 S CB 1.531 64.693 63.200 -0.064 0.000 1.150 172 S HN 1.477 nan 8.310 nan 0.000 0.521 173 G N 0.151 108.916 108.800 -0.057 0.000 2.574 173 G HA2 -0.304 3.657 3.960 0.001 0.000 0.286 173 G HA3 -0.304 3.657 3.960 0.001 0.000 0.286 173 G C 0.917 175.772 174.900 -0.073 0.000 1.212 173 G CA 1.475 46.541 45.100 -0.057 0.000 0.979 173 G HN 2.030 nan 8.290 nan 0.000 0.557 174 V N -1.972 117.887 119.914 -0.092 0.000 2.719 174 V HA 0.153 4.273 4.120 0.001 0.000 0.252 174 V C 2.232 178.275 176.094 -0.085 0.000 1.065 174 V CA 2.699 64.921 62.300 -0.130 0.000 1.086 174 V CB -0.595 31.090 31.823 -0.230 0.000 0.700 174 V HN 0.716 nan 8.190 nan 0.000 0.467 175 E N 1.522 121.657 120.200 -0.109 0.000 2.208 175 E HA -0.004 4.347 4.350 0.001 0.000 0.193 175 E C 2.270 178.840 176.600 -0.049 0.000 0.988 175 E CA 1.049 57.347 56.400 -0.171 0.000 0.828 175 E CB -0.367 29.070 29.700 -0.440 0.000 0.763 175 E HN 0.723 nan 8.360 nan 0.000 0.478 176 G N 1.182 109.961 108.800 -0.034 0.000 2.403 176 G HA2 -0.168 3.792 3.960 0.001 0.000 0.216 176 G HA3 -0.168 3.792 3.960 0.001 0.000 0.216 176 G C 1.676 176.639 174.900 0.106 0.000 1.154 176 G CA 0.620 45.744 45.100 0.040 0.000 0.784 176 G HN 0.315 nan 8.290 nan 0.000 0.538 177 A N 1.159 124.003 122.820 0.040 0.000 1.933 177 A HA 0.305 4.625 4.320 0.001 0.000 0.218 177 A C 2.757 180.382 177.584 0.068 0.000 1.175 177 A CA 2.129 54.189 52.037 0.038 0.000 0.628 177 A CB -0.630 18.362 19.000 -0.013 0.000 0.814 177 A HN 0.668 nan 8.150 nan 0.000 0.444 178 A N -1.253 121.620 122.820 0.087 0.000 1.897 178 A HA 0.033 4.353 4.320 0.001 0.000 0.215 178 A C 2.032 179.709 177.584 0.154 0.000 1.181 178 A CA 1.441 53.547 52.037 0.115 0.000 0.620 178 A CB -0.678 18.416 19.000 0.157 0.000 0.821 178 A HN 0.681 nan 8.150 nan 0.000 0.443 179 F N 0.559 120.541 119.950 0.054 0.000 2.134 179 F HA -0.168 4.359 4.527 0.000 0.000 0.299 179 F C 2.243 178.073 175.800 0.050 0.000 1.097 179 F CA 2.154 60.193 58.000 0.065 0.000 1.264 179 F CB -0.204 38.822 39.000 0.043 0.000 1.001 179 F HN 0.284 nan 8.300 nan 0.000 0.479 180 Q N 0.121 119.947 119.800 0.043 0.000 2.364 180 Q HA -0.055 4.286 4.340 0.001 0.000 0.207 180 Q C 1.607 177.544 176.000 -0.105 0.000 0.970 180 Q CA 1.575 57.333 55.803 -0.076 0.000 0.888 180 Q CB -0.339 28.418 28.738 0.031 0.000 0.951 180 Q HN 0.322 nan 8.270 nan 0.000 0.469 181 S N -0.408 115.267 115.700 -0.042 0.000 2.557 181 S HA 0.244 4.714 4.470 0.001 0.000 0.223 181 S C -0.310 174.271 174.600 -0.032 0.000 0.969 181 S CA -0.134 58.053 58.200 -0.022 0.000 0.927 181 S CB 0.174 63.393 63.200 0.032 0.000 0.806 181 S HN 0.427 nan 8.310 nan 0.000 0.489 182 R N 0.362 120.824 120.500 -0.064 0.000 3.651 182 R HA -0.137 4.204 4.340 0.001 0.000 0.292 182 R C -1.054 175.299 176.300 0.088 0.000 1.161 182 R CA 0.468 56.576 56.100 0.014 0.000 0.787 182 R CB -2.216 28.145 30.300 0.100 0.000 1.249 182 R HN 0.340 nan 8.270 nan 0.000 0.476 183 L N 0.706 121.981 121.223 0.086 0.000 2.342 183 L HA 0.609 4.949 4.340 0.001 0.000 0.271 183 L C -1.927 175.029 176.870 0.144 0.000 1.008 183 L CA -2.462 52.446 54.840 0.113 0.000 0.818 183 L CB 1.585 43.701 42.059 0.096 0.000 1.296 183 L HN -0.210 nan 8.230 nan 0.000 0.427 184 P HA 0.088 nan 4.420 nan 0.000 0.276 184 P C -0.298 177.053 177.300 0.085 0.000 1.243 184 P CA -0.148 63.014 63.100 0.105 0.000 0.768 184 P CB 0.647 32.375 31.700 0.047 0.000 0.856 185 H N 1.975 121.093 119.070 0.080 0.000 2.428 185 H HA -0.089 4.467 4.556 0.001 0.000 0.296 185 H C 0.653 176.014 175.328 0.055 0.000 1.062 185 H CA 1.509 57.590 56.048 0.055 0.000 1.350 185 H CB -0.491 29.302 29.762 0.052 0.000 1.403 185 H HN 0.278 nan 8.280 nan 0.000 0.533 186 D N -0.480 119.583 120.400 -0.561 0.000 2.342 186 D HA 0.142 4.782 4.640 0.001 0.000 0.221 186 D C 0.368 176.596 176.300 -0.119 0.000 1.101 186 D CA -0.301 53.510 54.000 -0.315 0.000 0.837 186 D CB 0.256 40.792 40.800 -0.440 0.000 0.938 186 D HN 0.377 nan 8.370 nan 0.000 0.508 187 R N -0.445 120.018 120.500 -0.061 0.000 2.643 187 R HA 0.423 4.764 4.340 0.001 0.000 0.269 187 R C -1.148 175.183 176.300 0.050 0.000 1.037 187 R CA -0.690 55.409 56.100 -0.002 0.000 0.894 187 R CB 1.578 31.869 30.300 -0.015 0.000 1.238 187 R HN -0.023 nan 8.270 nan 0.000 0.459 188 M N 2.451 122.088 119.600 0.062 0.000 2.235 188 M HA 0.200 4.680 4.480 0.001 0.000 0.351 188 M C 0.577 176.913 176.300 0.061 0.000 1.178 188 M CA -0.177 55.174 55.300 0.085 0.000 1.143 188 M CB 1.562 34.169 32.600 0.010 0.000 1.530 188 M HN 0.721 nan 8.290 nan 0.000 0.461 189 T N -1.414 113.191 114.554 0.085 0.000 2.847 189 T HA 0.167 4.518 4.350 0.001 0.000 0.279 189 T C 1.084 175.822 174.700 0.063 0.000 0.984 189 T CA -0.573 61.576 62.100 0.081 0.000 0.988 189 T CB 1.351 70.286 68.868 0.111 0.000 1.040 189 T HN 0.684 nan 8.240 nan 0.000 0.528 190 S N -0.560 115.179 115.700 0.064 0.000 2.382 190 S HA -0.194 4.276 4.470 0.001 0.000 0.228 190 S C 2.064 176.706 174.600 0.070 0.000 1.027 190 S CA 1.782 60.014 58.200 0.054 0.000 0.991 190 S CB -0.726 62.505 63.200 0.051 0.000 0.823 190 S HN 0.821 nan 8.310 nan 0.000 0.469 191 Q N 0.198 120.060 119.800 0.104 0.000 2.079 191 Q HA -0.117 4.223 4.340 0.001 0.000 0.200 191 Q C 1.988 178.075 176.000 0.146 0.000 0.974 191 Q CA 1.745 57.637 55.803 0.148 0.000 0.840 191 Q CB -0.127 28.714 28.738 0.171 0.000 0.898 191 Q HN 0.678 nan 8.270 nan 0.000 0.430 192 E N -0.209 120.049 120.200 0.097 0.000 2.106 192 E HA -0.159 4.192 4.350 0.001 0.000 0.192 192 E C 1.883 178.493 176.600 0.017 0.000 0.984 192 E CA 0.788 57.180 56.400 -0.013 0.000 0.806 192 E CB -0.102 29.605 29.700 0.011 0.000 0.750 192 E HN 0.464 nan 8.360 nan 0.000 0.458 193 A N 1.465 124.283 122.820 -0.003 0.000 1.902 193 A HA -0.138 4.183 4.320 0.001 0.000 0.217 193 A C 2.378 179.957 177.584 -0.008 0.000 1.181 193 A CA 1.685 53.708 52.037 -0.023 0.000 0.623 193 A CB -0.605 18.387 19.000 -0.014 0.000 0.818 193 A HN 0.297 nan 8.150 nan 0.000 0.443 194 A N -1.196 121.634 122.820 0.017 0.000 1.930 194 A HA -0.131 4.189 4.320 0.001 0.000 0.217 194 A C 2.191 179.755 177.584 -0.033 0.000 1.175 194 A CA 1.702 53.745 52.037 0.009 0.000 0.627 194 A CB -1.017 18.014 19.000 0.051 0.000 0.815 194 A HN 0.630 nan 8.150 nan 0.000 0.443 195 C N -2.450 116.824 119.300 -0.043 0.000 2.533 195 C HA 0.275 4.736 4.460 0.001 0.000 0.272 195 C C 0.508 175.139 174.990 -0.598 0.000 1.371 195 C CA -0.195 58.673 59.018 -0.250 0.000 1.758 195 C CB -1.274 26.379 27.740 -0.145 0.000 1.972 195 C HN 0.498 nan 8.230 nan 0.000 0.522 196 F N 1.239 121.088 119.950 -0.168 0.000 2.542 196 F HA 0.298 4.825 4.527 0.000 0.000 0.323 196 F C -1.457 174.217 175.800 -0.211 0.000 1.411 196 F CA -2.024 55.838 58.000 -0.229 0.000 1.124 196 F CB 0.063 38.778 39.000 -0.475 0.000 1.331 196 F HN 0.030 nan 8.300 nan 0.000 0.560 197 P HA -0.162 nan 4.420 nan 0.000 0.221 197 P C 1.100 178.379 177.300 -0.035 0.000 1.150 197 P CA 1.448 64.522 63.100 -0.042 0.000 0.800 197 P CB 0.227 31.897 31.700 -0.049 0.000 0.787 198 D N 0.275 120.661 120.400 -0.023 0.000 2.144 198 D HA -0.131 4.509 4.640 0.001 0.000 0.200 198 D C 2.045 178.335 176.300 -0.016 0.000 0.978 198 D CA 0.885 54.877 54.000 -0.012 0.000 0.833 198 D CB -0.910 39.892 40.800 0.004 0.000 0.961 198 D HN 0.239 nan 8.370 nan 0.000 0.470 199 I N 0.567 121.118 120.570 -0.032 0.000 2.277 199 I HA -0.076 4.095 4.170 0.001 0.000 0.243 199 I C 2.720 178.774 176.117 -0.106 0.000 1.094 199 I CA 0.358 61.608 61.300 -0.083 0.000 1.393 199 I CB -0.037 37.846 38.000 -0.196 0.000 1.078 199 I HN -0.103 nan 8.210 nan 0.000 0.417 200 I N 0.467 120.959 120.570 -0.131 0.000 2.493 200 I HA -0.272 3.898 4.170 0.001 0.000 0.254 200 I C 2.418 178.503 176.117 -0.053 0.000 1.160 200 I CA 1.579 62.818 61.300 -0.101 0.000 1.445 200 I CB 0.079 38.018 38.000 -0.103 0.000 1.086 200 I HN 0.297 nan 8.210 nan 0.000 0.433 201 S N -0.351 115.324 115.700 -0.042 0.000 2.501 201 S HA 0.190 4.661 4.470 0.001 0.000 0.220 201 S C 1.263 175.851 174.600 -0.019 0.000 0.997 201 S CA 0.085 58.269 58.200 -0.027 0.000 0.919 201 S CB -0.555 62.631 63.200 -0.024 0.000 0.778 201 S HN 0.412 nan 8.310 nan 0.000 0.523 202 G N 2.637 111.425 108.800 -0.019 0.000 2.553 202 G HA2 0.493 4.454 3.960 0.001 0.000 0.278 202 G HA3 0.493 4.454 3.960 0.001 0.000 0.278 202 G C -2.621 172.276 174.900 -0.004 0.000 1.349 202 G CA -1.562 43.533 45.100 -0.009 0.000 1.037 202 G HN 0.265 nan 8.290 nan 0.000 0.508 203 P HA 0.032 nan 4.420 nan 0.000 0.266 203 P C 0.578 177.885 177.300 0.012 0.000 1.195 203 P CA -0.067 63.037 63.100 0.007 0.000 0.768 203 P CB 0.897 32.603 31.700 0.010 0.000 0.838 204 Q N 1.519 121.327 119.800 0.013 0.000 2.173 204 Q HA -0.260 4.081 4.340 0.001 0.000 0.208 204 Q C 1.898 177.919 176.000 0.034 0.000 0.989 204 Q CA 1.950 57.765 55.803 0.020 0.000 0.872 204 Q CB -0.321 28.427 28.738 0.017 0.000 0.909 204 Q HN 0.523 nan 8.270 nan 0.000 0.420 205 Q N 0.211 120.030 119.800 0.031 0.000 2.061 205 Q HA -0.118 4.223 4.340 0.001 0.000 0.204 205 Q C 1.866 177.903 176.000 0.062 0.000 0.984 205 Q CA 2.297 58.124 55.803 0.040 0.000 0.846 205 Q CB -0.479 28.273 28.738 0.024 0.000 0.902 205 Q HN 0.355 nan 8.270 nan 0.000 0.421 206 T N 0.583 115.170 114.554 0.055 0.000 2.788 206 T HA -0.173 4.177 4.350 0.001 0.000 0.268 206 T C 1.657 176.421 174.700 0.107 0.000 1.044 206 T CA 1.511 63.657 62.100 0.076 0.000 1.139 206 T CB -0.186 68.713 68.868 0.051 0.000 0.867 206 T HN 0.428 nan 8.240 nan 0.000 0.454 207 Q N 0.595 120.442 119.800 0.078 0.000 2.124 207 Q HA -0.063 4.277 4.340 0.001 0.000 0.202 207 Q C 2.375 178.480 176.000 0.175 0.000 0.977 207 Q CA 1.165 57.026 55.803 0.097 0.000 0.850 207 Q CB -0.115 28.649 28.738 0.044 0.000 0.901 207 Q HN 0.461 nan 8.270 nan 0.000 0.429 208 K N -0.136 120.349 120.400 0.142 0.000 2.148 208 K HA -0.087 4.233 4.320 0.001 0.000 0.204 208 K C 1.979 178.710 176.600 0.218 0.000 1.050 208 K CA 0.985 57.366 56.287 0.158 0.000 0.942 208 K CB 0.128 32.702 32.500 0.123 0.000 0.724 208 K HN 0.044 nan 8.250 nan 0.000 0.446 209 V N 0.879 120.936 119.914 0.238 0.000 2.453 209 V HA -0.209 3.911 4.120 0.001 0.000 0.247 209 V C 1.873 178.133 176.094 0.278 0.000 1.048 209 V CA 1.450 63.945 62.300 0.325 0.000 1.049 209 V CB -0.467 31.513 31.823 0.262 0.000 0.672 209 V HN 0.235 nan 8.190 nan 0.000 0.457 210 F N 0.674 120.664 119.950 0.066 0.000 2.113 210 F HA -0.128 4.399 4.527 0.001 0.000 0.297 210 F C 2.034 177.804 175.800 -0.051 0.000 1.103 210 F CA 1.651 59.624 58.000 -0.045 0.000 1.248 210 F CB -0.284 38.621 39.000 -0.158 0.000 0.999 210 F HN 0.014 nan 8.300 nan 0.000 0.475 211 L N -0.808 120.417 121.223 0.004 0.000 2.079 211 L HA -0.226 4.114 4.340 0.001 0.000 0.210 211 L C 2.434 179.229 176.870 -0.125 0.000 1.081 211 L CA 1.590 56.374 54.840 -0.094 0.000 0.752 211 L CB -0.907 41.206 42.059 0.089 0.000 0.896 211 L HN 0.255 nan 8.230 nan 0.000 0.433 212 F N 0.701 120.542 119.950 -0.182 0.000 2.113 212 F HA -0.204 4.323 4.527 0.001 0.000 0.297 212 F C 2.307 177.919 175.800 -0.313 0.000 1.103 212 F CA 1.483 59.318 58.000 -0.274 0.000 1.248 212 F CB -0.119 38.599 39.000 -0.470 0.000 0.999 212 F HN -0.131 nan 8.300 nan 0.000 0.475 213 I N 0.187 120.655 120.570 -0.169 0.000 2.208 213 I HA -0.318 3.852 4.170 0.001 0.000 0.245 213 I C 2.749 178.683 176.117 -0.305 0.000 1.097 213 I CA 1.413 62.596 61.300 -0.194 0.000 1.363 213 I CB -0.607 37.362 38.000 -0.051 0.000 1.051 213 I HN 0.130 nan 8.210 nan 0.000 0.413 214 R N 1.438 121.671 120.500 -0.446 0.000 2.070 214 R HA -0.190 4.151 4.340 0.001 0.000 0.233 214 R C 1.964 178.101 176.300 -0.272 0.000 1.137 214 R CA 2.012 57.861 56.100 -0.419 0.000 0.945 214 R CB -0.576 29.325 30.300 -0.666 0.000 0.845 214 R HN 0.364 nan 8.270 nan 0.000 0.430 215 N N 0.894 119.420 118.700 -0.290 0.000 2.104 215 N HA -0.195 4.545 4.740 0.001 0.000 0.190 215 N C 1.915 177.256 175.510 -0.283 0.000 1.024 215 N CA 1.353 54.263 53.050 -0.234 0.000 0.853 215 N CB -0.436 37.923 38.487 -0.214 0.000 1.008 215 N HN 0.200 nan 8.380 nan 0.000 0.424 216 R N 0.751 120.975 120.500 -0.461 0.000 2.066 216 R HA 0.021 4.361 4.340 0.001 0.000 0.232 216 R C 1.945 178.124 176.300 -0.202 0.000 1.131 216 R CA 1.723 57.568 56.100 -0.425 0.000 0.955 216 R CB -0.885 29.031 30.300 -0.640 0.000 0.851 216 R HN 0.134 nan 8.270 nan 0.000 0.432 217 T N 1.129 115.592 114.554 -0.153 0.000 2.759 217 T HA -0.109 4.241 4.350 0.001 0.000 0.269 217 T C 1.702 176.413 174.700 0.018 0.000 1.042 217 T CA 1.499 63.578 62.100 -0.034 0.000 1.140 217 T CB -0.172 68.696 68.868 -0.001 0.000 0.864 217 T HN 0.147 nan 8.240 nan 0.000 0.455 218 L N 0.587 121.804 121.223 -0.011 0.000 2.056 218 L HA -0.101 4.240 4.340 0.001 0.000 0.207 218 L C 2.955 179.874 176.870 0.082 0.000 1.078 218 L CA 1.296 56.179 54.840 0.071 0.000 0.749 218 L CB -0.535 41.543 42.059 0.032 0.000 0.901 218 L HN 0.288 nan 8.230 nan 0.000 0.433 219 Q N 0.414 120.206 119.800 -0.013 0.000 2.084 219 Q HA -0.212 4.128 4.340 0.001 0.000 0.202 219 Q C 2.373 178.358 176.000 -0.026 0.000 0.978 219 Q CA 1.490 57.270 55.803 -0.038 0.000 0.844 219 Q CB -0.032 28.651 28.738 -0.092 0.000 0.898 219 Q HN 0.503 nan 8.270 nan 0.000 0.426 220 L N -0.169 121.051 121.223 -0.005 0.000 2.046 220 L HA -0.202 4.138 4.340 0.001 0.000 0.208 220 L C 2.428 179.328 176.870 0.050 0.000 1.077 220 L CA 1.393 56.240 54.840 0.011 0.000 0.747 220 L CB -0.752 41.321 42.059 0.024 0.000 0.896 220 L HN 0.569 nan 8.230 nan 0.000 0.432 221 W N 0.958 122.212 121.300 -0.077 0.000 2.381 221 W HA -0.154 4.506 4.660 0.001 0.000 0.301 221 W C 1.990 178.445 176.519 -0.106 0.000 1.205 221 W CA 1.005 58.290 57.345 -0.100 0.000 1.285 221 W CB -0.109 29.291 29.460 -0.101 0.000 1.133 221 W HN 0.100 nan 8.180 nan 0.000 0.521 222 L N 0.902 121.970 121.223 -0.259 0.000 2.093 222 L HA -0.219 4.121 4.340 0.001 0.000 0.208 222 L C 2.113 178.789 176.870 -0.323 0.000 1.085 222 L CA 1.578 56.199 54.840 -0.366 0.000 0.755 222 L CB -0.959 41.027 42.059 -0.120 0.000 0.904 222 L HN -0.186 nan 8.230 nan 0.000 0.435 223 D N -0.296 119.978 120.400 -0.210 0.000 2.218 223 D HA -0.120 4.520 4.640 0.001 0.000 0.204 223 D C 0.636 176.813 176.300 -0.205 0.000 0.976 223 D CA 1.086 54.986 54.000 -0.167 0.000 0.853 223 D CB -0.105 40.631 40.800 -0.107 0.000 0.939 223 D HN 0.115 nan 8.370 nan 0.000 0.481 224 N N -1.115 117.416 118.700 -0.283 0.000 2.751 224 N HA 0.142 4.882 4.740 0.001 0.000 0.238 224 N C -2.608 172.607 175.510 -0.492 0.000 1.351 224 N CA -1.195 51.681 53.050 -0.289 0.000 0.751 224 N CB 1.346 39.739 38.487 -0.158 0.000 1.342 224 N HN -0.223 nan 8.380 nan 0.000 0.540 225 P HA 0.191 nan 4.420 nan 0.000 0.257 225 P C 0.493 177.429 177.300 -0.607 0.000 1.281 225 P CA 0.375 62.692 63.100 -1.304 0.000 0.826 225 P CB 0.367 31.297 31.700 -1.282 0.000 1.237 226 K N 0.052 120.279 120.400 -0.287 0.000 2.426 226 K HA 0.167 4.487 4.320 0.001 0.000 0.193 226 K C 0.934 177.573 176.600 0.065 0.000 1.028 226 K CA 0.301 56.544 56.287 -0.073 0.000 1.047 226 K CB 0.014 32.468 32.500 -0.075 0.000 0.821 226 K HN 0.308 nan 8.250 nan 0.000 0.513 227 I N -2.781 117.827 120.570 0.063 0.000 2.730 227 I HA 0.272 4.443 4.170 0.001 0.000 0.298 227 I C -0.658 175.586 176.117 0.211 0.000 1.089 227 I CA -1.249 60.147 61.300 0.160 0.000 1.041 227 I CB 1.760 39.809 38.000 0.081 0.000 1.235 227 I HN -0.217 nan 8.210 nan 0.000 0.423 228 Q N 3.264 123.209 119.800 0.242 0.000 2.311 228 Q HA 0.213 4.554 4.340 0.001 0.000 0.272 228 Q C -1.213 174.847 176.000 0.101 0.000 1.012 228 Q CA -0.427 55.428 55.803 0.087 0.000 0.891 228 Q CB 1.238 30.111 28.738 0.224 0.000 1.201 228 Q HN 0.714 nan 8.270 nan 0.000 0.391 229 L N 5.452 126.724 121.223 0.080 0.000 2.259 229 L HA 0.291 4.631 4.340 0.001 0.000 0.288 229 L C -0.296 176.699 176.870 0.209 0.000 1.051 229 L CA 0.060 54.988 54.840 0.146 0.000 0.824 229 L CB 0.887 43.070 42.059 0.207 0.000 1.206 229 L HN 0.732 nan 8.230 nan 0.000 0.429 230 T N 0.794 115.412 114.554 0.107 0.000 2.847 230 T HA 0.187 4.537 4.350 0.001 0.000 0.279 230 T C 0.988 175.510 174.700 -0.295 0.000 0.984 230 T CA -0.251 61.864 62.100 0.024 0.000 0.988 230 T CB 0.570 69.445 68.868 0.011 0.000 1.040 230 T HN 0.456 nan 8.240 nan 0.000 0.528 231 F N 1.359 120.859 119.950 -0.749 0.000 2.102 231 F HA 0.015 4.542 4.527 0.001 0.000 0.298 231 F C 2.147 177.718 175.800 -0.382 0.000 1.105 231 F CA 1.610 59.075 58.000 -0.891 0.000 1.239 231 F CB -0.695 37.787 39.000 -0.863 0.000 0.991 231 F HN 0.704 nan 8.300 nan 0.000 0.474 232 E N 0.638 120.530 120.200 -0.513 0.000 2.085 232 E HA -0.149 4.202 4.350 0.001 0.000 0.194 232 E C 2.327 178.724 176.600 -0.339 0.000 0.994 232 E CA 1.523 57.639 56.400 -0.473 0.000 0.801 232 E CB -0.633 28.954 29.700 -0.189 0.000 0.743 232 E HN 0.491 nan 8.360 nan 0.000 0.453 233 A N 0.077 122.764 122.820 -0.221 0.000 2.015 233 A HA -0.139 4.182 4.320 0.001 0.000 0.219 233 A C 2.224 179.725 177.584 -0.138 0.000 1.163 233 A CA 1.746 53.703 52.037 -0.133 0.000 0.646 233 A CB -0.632 18.331 19.000 -0.062 0.000 0.806 233 A HN 0.240 nan 8.150 nan 0.000 0.448 234 T N -0.101 114.336 114.554 -0.195 0.000 2.770 234 T HA -0.068 4.282 4.350 0.001 0.000 0.263 234 T C 1.807 176.413 174.700 -0.157 0.000 1.039 234 T CA 1.321 63.342 62.100 -0.132 0.000 1.142 234 T CB -0.347 68.473 68.868 -0.080 0.000 0.868 234 T HN 0.264 nan 8.240 nan 0.000 0.435 235 L N 1.117 122.153 121.223 -0.310 0.000 2.131 235 L HA -0.054 4.287 4.340 0.001 0.000 0.210 235 L C 2.517 179.301 176.870 -0.144 0.000 1.092 235 L CA 1.676 56.365 54.840 -0.252 0.000 0.759 235 L CB -0.559 41.217 42.059 -0.472 0.000 0.903 235 L HN 0.145 nan 8.230 nan 0.000 0.435 236 Q N -0.739 118.967 119.800 -0.156 0.000 2.119 236 Q HA -0.174 4.166 4.340 0.001 0.000 0.201 236 Q C 1.882 177.853 176.000 -0.047 0.000 0.972 236 Q CA 1.586 57.335 55.803 -0.090 0.000 0.847 236 Q CB 0.007 28.690 28.738 -0.091 0.000 0.903 236 Q HN 0.595 nan 8.270 nan 0.000 0.433 237 Q N -0.665 119.109 119.800 -0.044 0.000 2.320 237 Q HA 0.167 4.507 4.340 0.001 0.000 0.201 237 Q C -0.550 175.458 176.000 0.014 0.000 0.910 237 Q CA -0.083 55.711 55.803 -0.016 0.000 0.946 237 Q CB 0.536 29.261 28.738 -0.022 0.000 1.062 237 Q HN 0.292 nan 8.270 nan 0.000 0.503 238 L N 1.290 122.530 121.223 0.028 0.000 2.295 238 L HA 0.253 4.593 4.340 0.001 0.000 0.285 238 L C 0.378 177.320 176.870 0.120 0.000 1.035 238 L CA -0.428 54.469 54.840 0.095 0.000 0.806 238 L CB 1.370 43.496 42.059 0.112 0.000 1.214 238 L HN 0.002 nan 8.230 nan 0.000 0.426 239 E N 1.698 122.006 120.200 0.179 0.000 2.283 239 E HA 0.439 4.789 4.350 0.001 0.000 0.267 239 E C -0.336 176.367 176.600 0.172 0.000 1.045 239 E CA -0.564 55.926 56.400 0.149 0.000 0.884 239 E CB 1.875 31.658 29.700 0.139 0.000 1.106 239 E HN 0.637 nan 8.360 nan 0.000 0.408 240 A N 2.652 125.516 122.820 0.072 0.000 2.466 240 A HA 0.154 4.474 4.320 0.001 0.000 0.238 240 A C -1.402 176.112 177.584 -0.117 0.000 1.074 240 A CA -0.652 51.382 52.037 -0.006 0.000 0.774 240 A CB -0.200 18.785 19.000 -0.025 0.000 1.015 240 A HN 0.414 nan 8.150 nan 0.000 0.498 241 P HA 0.036 nan 4.420 nan 0.000 0.251 241 P C 0.468 177.653 177.300 -0.191 0.000 1.223 241 P CA 0.645 63.592 63.100 -0.256 0.000 0.796 241 P CB -0.036 31.477 31.700 -0.312 0.000 1.068 242 Y N 2.462 122.769 120.300 0.011 0.000 2.241 242 Y HA -0.195 4.356 4.550 0.001 0.000 0.286 242 Y C 2.122 178.075 175.900 0.088 0.000 1.166 242 Y CA 1.540 59.681 58.100 0.069 0.000 1.203 242 Y CB -1.577 36.969 38.460 0.143 0.000 0.977 242 Y HN 0.163 nan 8.280 nan 0.000 0.529 243 N N -0.003 118.816 118.700 0.198 0.000 2.370 243 N HA -0.050 4.690 4.740 0.001 0.000 0.198 243 N C 1.113 176.681 175.510 0.096 0.000 1.156 243 N CA 0.830 53.961 53.050 0.135 0.000 0.839 243 N CB -0.479 38.066 38.487 0.097 0.000 0.989 243 N HN 0.424 nan 8.380 nan 0.000 0.468 244 S N -0.620 115.129 115.700 0.081 0.000 2.371 244 S HA -0.062 4.409 4.470 0.001 0.000 0.221 244 S C 0.733 175.387 174.600 0.089 0.000 1.036 244 S CA 0.252 58.489 58.200 0.061 0.000 0.965 244 S CB -0.396 62.819 63.200 0.026 0.000 0.845 244 S HN 0.131 nan 8.310 nan 0.000 0.475 245 D N 2.821 123.288 120.400 0.111 0.000 2.455 245 D HA 0.197 4.838 4.640 0.001 0.000 0.234 245 D C 1.372 177.784 176.300 0.185 0.000 1.224 245 D CA 0.393 54.473 54.000 0.134 0.000 0.999 245 D CB 0.952 41.834 40.800 0.137 0.000 1.072 245 D HN 0.531 nan 8.370 nan 0.000 0.514 246 T N -0.649 114.021 114.554 0.194 0.000 2.821 246 T HA -0.174 4.176 4.350 0.001 0.000 0.267 246 T C 1.992 176.890 174.700 0.329 0.000 1.046 246 T CA 1.427 63.704 62.100 0.295 0.000 1.139 246 T CB -0.438 68.605 68.868 0.292 0.000 0.871 246 T HN 0.200 nan 8.240 nan 0.000 0.454 247 V N 0.165 120.206 119.914 0.212 0.000 2.427 247 V HA 0.052 4.173 4.120 0.001 0.000 0.248 247 V C 2.516 178.739 176.094 0.215 0.000 1.051 247 V CA 1.224 63.619 62.300 0.158 0.000 1.048 247 V CB -1.379 30.498 31.823 0.090 0.000 0.666 247 V HN 0.379 nan 8.190 nan 0.000 0.456 248 L N 0.540 121.903 121.223 0.233 0.000 2.083 248 L HA -0.030 4.311 4.340 0.001 0.000 0.209 248 L C 2.449 179.503 176.870 0.305 0.000 1.083 248 L CA 1.943 56.948 54.840 0.276 0.000 0.752 248 L CB -0.661 41.542 42.059 0.240 0.000 0.899 248 L HN 0.178 nan 8.230 nan 0.000 0.433 249 V N -0.924 119.180 119.914 0.316 0.000 2.358 249 V HA -0.310 3.810 4.120 0.001 0.000 0.246 249 V C 2.451 178.796 176.094 0.418 0.000 1.047 249 V CA 1.995 64.507 62.300 0.354 0.000 1.035 249 V CB -0.855 31.197 31.823 0.380 0.000 0.658 249 V HN 0.646 nan 8.190 nan 0.000 0.452 250 H N -0.015 119.177 119.070 0.204 0.000 2.357 250 H HA -0.097 4.460 4.556 0.001 0.000 0.301 250 H C 2.611 177.974 175.328 0.058 0.000 1.082 250 H CA 1.639 57.549 56.048 -0.230 0.000 1.342 250 H CB 0.170 29.517 29.762 -0.691 0.000 1.389 250 H HN 0.245 nan 8.280 nan 0.000 0.511 251 R N -0.438 120.281 120.500 0.365 0.000 2.081 251 R HA -0.102 4.239 4.340 0.001 0.000 0.235 251 R C 2.351 178.995 176.300 0.572 0.000 1.131 251 R CA 1.324 57.692 56.100 0.446 0.000 0.960 251 R CB -0.140 30.460 30.300 0.500 0.000 0.856 251 R HN 0.194 nan 8.270 nan 0.000 0.436 252 V N 0.391 120.600 119.914 0.492 0.000 2.307 252 V HA -0.270 3.850 4.120 0.001 0.000 0.245 252 V C 2.392 178.652 176.094 0.276 0.000 1.045 252 V CA 1.830 64.336 62.300 0.343 0.000 1.024 252 V CB -0.753 31.096 31.823 0.043 0.000 0.651 252 V HN 0.456 nan 8.190 nan 0.000 0.449 253 H N 0.351 119.515 119.070 0.157 0.000 2.319 253 H HA -0.146 4.411 4.556 0.001 0.000 0.299 253 H C 2.436 177.776 175.328 0.019 0.000 1.092 253 H CA 2.109 58.204 56.048 0.078 0.000 1.302 253 H CB 0.050 29.875 29.762 0.106 0.000 1.373 253 H HN 0.418 nan 8.280 nan 0.000 0.497 254 S N 0.065 115.821 115.700 0.094 0.000 2.382 254 S HA -0.172 4.299 4.470 0.001 0.000 0.228 254 S C 1.940 176.318 174.600 -0.371 0.000 1.027 254 S CA 1.194 59.353 58.200 -0.067 0.000 0.991 254 S CB -0.631 62.635 63.200 0.109 0.000 0.823 254 S HN 0.583 nan 8.310 nan 0.000 0.469 255 Y N 2.317 122.332 120.300 -0.476 0.000 2.145 255 Y HA -0.105 4.446 4.550 0.001 0.000 0.286 255 Y C 1.796 177.584 175.900 -0.186 0.000 1.145 255 Y CA 1.344 59.121 58.100 -0.537 0.000 1.148 255 Y CB -0.455 37.986 38.460 -0.030 0.000 0.981 255 Y HN 0.137 nan 8.280 nan 0.000 0.507 256 L N 0.141 121.217 121.223 -0.245 0.000 2.093 256 L HA -0.162 4.178 4.340 0.001 0.000 0.208 256 L C 2.581 179.251 176.870 -0.334 0.000 1.085 256 L CA 1.825 56.476 54.840 -0.315 0.000 0.755 256 L CB -0.593 41.356 42.059 -0.184 0.000 0.904 256 L HN 0.295 nan 8.230 nan 0.000 0.435 257 E N 0.353 120.334 120.200 -0.366 0.000 2.047 257 E HA -0.275 4.076 4.350 0.001 0.000 0.191 257 E C 2.302 178.832 176.600 -0.117 0.000 0.987 257 E CA 0.971 57.206 56.400 -0.276 0.000 0.799 257 E CB 0.097 29.621 29.700 -0.293 0.000 0.752 257 E HN 0.114 nan 8.360 nan 0.000 0.449 258 R N -0.011 120.319 120.500 -0.282 0.000 2.120 258 R HA -0.120 4.220 4.340 0.001 0.000 0.234 258 R C 1.217 177.342 176.300 -0.293 0.000 1.123 258 R CA 1.815 57.667 56.100 -0.414 0.000 0.975 258 R CB -0.464 29.559 30.300 -0.462 0.000 0.866 258 R HN 0.316 nan 8.270 nan 0.000 0.446 259 H N -1.409 117.472 119.070 -0.316 0.000 2.526 259 H HA 0.324 4.880 4.556 0.001 0.000 0.274 259 H C 0.715 175.921 175.328 -0.204 0.000 0.999 259 H CA 0.620 56.505 56.048 -0.271 0.000 1.157 259 H CB 0.447 29.927 29.762 -0.471 0.000 1.407 259 H HN 0.417 nan 8.280 nan 0.000 0.568 260 G N 0.838 109.597 108.800 -0.067 0.000 2.249 260 G HA2 -0.311 3.649 3.960 0.001 0.000 0.273 260 G HA3 -0.311 3.649 3.960 0.001 0.000 0.273 260 G C 0.867 175.635 174.900 -0.220 0.000 1.036 260 G CA 0.621 45.659 45.100 -0.102 0.000 0.824 260 G HN 0.477 nan 8.290 nan 0.000 0.504 261 L N -0.782 120.329 121.223 -0.187 0.000 2.375 261 L HA 0.394 4.734 4.340 0.001 0.000 0.215 261 L C 1.573 178.387 176.870 -0.094 0.000 1.108 261 L CA 0.982 55.738 54.840 -0.139 0.000 0.830 261 L CB -0.040 41.944 42.059 -0.126 0.000 0.959 261 L HN 0.636 nan 8.230 nan 0.000 0.457 262 I N -5.868 114.476 120.570 -0.377 0.000 2.969 262 I HA 0.455 4.625 4.170 0.001 0.000 0.307 262 I C -0.698 174.715 176.117 -1.173 0.000 1.149 262 I CA -0.939 59.680 61.300 -1.135 0.000 1.008 262 I CB 1.878 39.430 38.000 -0.747 0.000 1.232 262 I HN -0.133 nan 8.210 nan 0.000 0.435 263 N N 2.264 119.620 118.700 -2.240 0.000 2.738 263 N HA -0.219 4.521 4.740 0.001 0.000 0.249 263 N C -1.069 174.062 175.510 -0.632 0.000 1.047 263 N CA 1.498 53.618 53.050 -1.550 0.000 0.707 263 N CB -1.377 36.632 38.487 -0.796 0.000 0.937 263 N HN 0.747 nan 8.380 nan 0.000 0.545 264 F N -2.773 116.894 119.950 -0.471 0.000 2.579 264 F HA 0.859 5.386 4.527 0.001 0.000 0.324 264 F C 1.119 177.127 175.800 0.346 0.000 1.058 264 F CA 0.102 58.126 58.000 0.041 0.000 0.944 264 F CB 1.292 40.276 39.000 -0.026 0.000 1.245 264 F HN 0.198 nan 8.300 nan 0.000 0.477 265 G N 1.807 110.840 108.800 0.389 0.000 2.520 265 G HA2 -0.172 3.788 3.960 0.001 0.000 0.248 265 G HA3 -0.172 3.788 3.960 0.001 0.000 0.248 265 G C -1.177 173.818 174.900 0.157 0.000 1.161 265 G CA -0.245 45.005 45.100 0.249 0.000 0.946 265 G HN 0.958 nan 8.290 nan 0.000 0.565 266 I N 1.890 122.535 120.570 0.125 0.000 2.382 266 I HA 0.674 4.844 4.170 0.001 0.000 0.286 266 I C -0.228 175.946 176.117 0.096 0.000 1.002 266 I CA -0.751 60.544 61.300 -0.009 0.000 1.135 266 I CB 1.344 39.334 38.000 -0.018 0.000 1.288 266 I HN 0.746 nan 8.210 nan 0.000 0.448 267 Y N 2.914 123.230 120.300 0.027 0.000 2.638 267 Y HA 0.562 5.113 4.550 0.001 0.000 0.335 267 Y C -0.958 174.961 175.900 0.031 0.000 1.155 267 Y CA -1.604 56.521 58.100 0.041 0.000 1.046 267 Y CB 0.929 39.474 38.460 0.142 0.000 1.303 267 Y HN 0.190 nan 8.280 nan 0.000 0.460 268 K N 2.297 122.811 120.400 0.191 0.000 2.383 268 K HA 0.215 4.535 4.320 0.001 0.000 0.286 268 K C -0.425 176.290 176.600 0.192 0.000 1.051 268 K CA -0.366 55.986 56.287 0.107 0.000 0.974 268 K CB 0.806 33.354 32.500 0.080 0.000 0.968 268 K HN 0.669 nan 8.250 nan 0.000 0.475 269 R N 3.888 124.445 120.500 0.094 0.000 2.267 269 R HA 0.121 4.462 4.340 0.001 0.000 0.319 269 R C 1.020 177.382 176.300 0.103 0.000 1.067 269 R CA -0.063 56.115 56.100 0.131 0.000 0.936 269 R CB 0.422 30.749 30.300 0.044 0.000 1.006 269 R HN 0.654 nan 8.270 nan 0.000 0.452 270 I N 2.939 123.583 120.570 0.122 0.000 2.480 270 I HA -0.099 4.071 4.170 0.001 0.000 0.251 270 I C 0.355 176.514 176.117 0.071 0.000 1.124 270 I CA 1.023 62.374 61.300 0.084 0.000 1.444 270 I CB 0.116 38.164 38.000 0.080 0.000 1.098 270 I HN 0.395 nan 8.210 nan 0.000 0.428 271 K N 2.167 122.618 120.400 0.085 0.000 2.300 271 K HA 0.319 4.639 4.320 0.001 0.000 0.264 271 K C -2.365 174.275 176.600 0.067 0.000 1.083 271 K CA -1.781 54.551 56.287 0.075 0.000 0.958 271 K CB 0.790 33.343 32.500 0.088 0.000 1.318 271 K HN -0.117 nan 8.250 nan 0.000 0.448 272 P HA -0.087 nan 4.420 nan 0.000 0.265 272 P C -0.388 176.933 177.300 0.035 0.000 1.187 272 P CA -0.061 63.059 63.100 0.033 0.000 0.766 272 P CB 0.472 32.186 31.700 0.024 0.000 0.820 273 L N 5.296 126.533 121.223 0.022 0.000 2.628 273 L HA 0.033 4.374 4.340 0.001 0.000 0.274 273 L C -1.276 175.609 176.870 0.025 0.000 1.209 273 L CA -1.182 53.671 54.840 0.022 0.000 0.930 273 L CB -0.754 41.305 42.059 0.000 0.000 1.183 273 L HN 0.330 nan 8.230 nan 0.000 0.492 274 P HA -0.053 nan 4.420 nan 0.000 0.264 274 P C 0.616 177.930 177.300 0.023 0.000 1.193 274 P CA -0.074 63.045 63.100 0.033 0.000 0.763 274 P CB 0.991 32.717 31.700 0.042 0.000 0.810 275 T N 2.035 116.600 114.554 0.019 0.000 2.833 275 T HA -0.096 4.254 4.350 0.001 0.000 0.269 275 T C 0.698 175.406 174.700 0.014 0.000 1.054 275 T CA 1.148 63.256 62.100 0.013 0.000 1.135 275 T CB -0.264 68.611 68.868 0.011 0.000 0.869 275 T HN 0.356 nan 8.240 nan 0.000 0.466 276 K N 2.336 122.747 120.400 0.019 0.000 2.276 276 K HA 0.295 4.615 4.320 0.001 0.000 0.285 276 K C -0.292 176.322 176.600 0.023 0.000 1.062 276 K CA -0.131 56.168 56.287 0.020 0.000 0.918 276 K CB 1.192 33.705 32.500 0.022 0.000 1.055 276 K HN 0.240 nan 8.250 nan 0.000 0.477 277 K N 1.164 121.576 120.400 0.019 0.000 2.095 277 K HA 0.329 4.649 4.320 0.001 0.000 0.252 277 K C -0.512 176.103 176.600 0.024 0.000 0.977 277 K CA -0.490 55.809 56.287 0.020 0.000 0.900 277 K CB 1.628 34.133 32.500 0.008 0.000 1.060 277 K HN 0.372 nan 8.250 nan 0.000 0.449 278 T N 0.983 115.555 114.554 0.030 0.000 2.881 278 T HA 0.569 4.919 4.350 0.001 0.000 0.291 278 T C -0.596 174.121 174.700 0.029 0.000 0.990 278 T CA -0.540 61.582 62.100 0.037 0.000 0.976 278 T CB 1.459 70.358 68.868 0.052 0.000 0.970 278 T HN 0.874 nan 8.240 nan 0.000 0.438 279 G N 2.343 111.153 108.800 0.017 0.000 2.731 279 G HA2 0.051 4.011 3.960 0.001 0.000 0.686 279 G HA3 0.051 4.011 3.960 0.001 0.000 0.686 279 G C -0.947 173.913 174.900 -0.066 0.000 1.395 279 G CA -0.839 44.245 45.100 -0.026 0.000 0.870 279 G HN 0.800 nan 8.290 nan 0.000 0.591 280 K N 0.079 120.413 120.400 -0.111 0.000 2.376 280 K HA 0.747 5.067 4.320 0.001 0.000 0.257 280 K C -0.504 176.001 176.600 -0.158 0.000 0.939 280 K CA -0.698 55.530 56.287 -0.098 0.000 0.809 280 K CB 1.960 34.429 32.500 -0.050 0.000 1.121 280 K HN 0.981 nan 8.250 nan 0.000 0.425 281 V N 5.341 125.171 119.914 -0.140 0.000 2.588 281 V HA 0.507 4.628 4.120 0.001 0.000 0.304 281 V C -0.559 175.463 176.094 -0.120 0.000 1.042 281 V CA -0.925 61.280 62.300 -0.158 0.000 0.877 281 V CB 1.657 33.371 31.823 -0.181 0.000 0.996 281 V HN 0.674 nan 8.190 nan 0.000 0.425 282 I N 5.377 125.883 120.570 -0.107 0.000 2.354 282 I HA 0.495 4.665 4.170 0.001 0.000 0.292 282 I C -0.243 175.805 176.117 -0.114 0.000 0.989 282 I CA -0.332 60.895 61.300 -0.122 0.000 1.188 282 I CB 1.747 39.685 38.000 -0.103 0.000 1.342 282 I HN 0.495 nan 8.210 nan 0.000 0.457 283 I N 7.178 127.669 120.570 -0.133 0.000 2.378 283 I HA 0.389 4.560 4.170 0.001 0.000 0.291 283 I C -0.040 176.012 176.117 -0.109 0.000 0.992 283 I CA -0.640 60.598 61.300 -0.104 0.000 1.154 283 I CB 1.775 39.717 38.000 -0.097 0.000 1.315 283 I HN 0.297 nan 8.210 nan 0.000 0.448 284 I N 5.764 126.291 120.570 -0.071 0.000 2.312 284 I HA 0.504 4.675 4.170 0.001 0.000 0.291 284 I C 0.687 176.785 176.117 -0.033 0.000 1.031 284 I CA -0.059 61.205 61.300 -0.060 0.000 1.293 284 I CB 0.835 38.823 38.000 -0.021 0.000 1.403 284 I HN 0.838 nan 8.210 nan 0.000 0.484 285 G N 4.134 112.898 108.800 -0.060 0.000 3.039 285 G HA2 -0.136 3.825 3.960 0.001 0.000 0.686 285 G HA3 -0.136 3.825 3.960 0.001 0.000 0.686 285 G C -0.103 174.772 174.900 -0.042 0.000 1.066 285 G CA -0.264 44.814 45.100 -0.037 0.000 0.774 285 G HN 0.829 nan 8.290 nan 0.000 0.591 286 S N 1.610 117.281 115.700 -0.047 0.000 2.449 286 S HA 0.648 5.119 4.470 0.001 0.000 0.237 286 S C 1.128 175.719 174.600 -0.015 0.000 1.214 286 S CA 0.599 58.773 58.200 -0.043 0.000 1.226 286 S CB 0.648 63.810 63.200 -0.064 0.000 0.904 286 S HN 1.906 nan 8.310 nan 0.000 0.490 287 G N 0.647 109.450 108.800 0.005 0.000 2.525 287 G HA2 0.433 4.393 3.960 0.001 0.000 0.287 287 G HA3 0.433 4.393 3.960 0.001 0.000 0.287 287 G C 0.871 175.773 174.900 0.004 0.000 1.350 287 G CA -0.484 44.627 45.100 0.018 0.000 1.039 287 G HN 0.240 nan 8.290 nan 0.000 0.513 288 V N 0.708 120.619 119.914 -0.006 0.000 2.332 288 V HA -0.218 3.902 4.120 0.001 0.000 0.248 288 V C 3.287 179.381 176.094 0.001 0.000 1.055 288 V CA 2.737 65.032 62.300 -0.008 0.000 1.038 288 V CB -0.641 31.162 31.823 -0.032 0.000 0.651 288 V HN 0.844 nan 8.190 nan 0.000 0.450 289 S N 0.773 116.476 115.700 0.006 0.000 2.368 289 S HA -0.092 4.378 4.470 0.001 0.000 0.224 289 S C 2.088 176.688 174.600 0.000 0.000 1.029 289 S CA 1.445 59.650 58.200 0.008 0.000 0.988 289 S CB -0.856 62.358 63.200 0.022 0.000 0.838 289 S HN 0.532 nan 8.310 nan 0.000 0.462 290 G N 1.708 110.509 108.800 0.002 0.000 2.402 290 G HA2 0.038 3.999 3.960 0.001 0.000 0.216 290 G HA3 0.038 3.999 3.960 0.001 0.000 0.216 290 G C 1.481 176.361 174.900 -0.034 0.000 1.162 290 G CA 0.764 45.853 45.100 -0.017 0.000 0.777 290 G HN 0.494 nan 8.290 nan 0.000 0.539 291 L N 0.726 121.934 121.223 -0.025 0.000 2.056 291 L HA -0.003 4.337 4.340 0.001 0.000 0.207 291 L C 3.401 180.255 176.870 -0.028 0.000 1.078 291 L CA 0.986 55.809 54.840 -0.030 0.000 0.749 291 L CB -0.370 41.680 42.059 -0.016 0.000 0.901 291 L HN 0.286 nan 8.230 nan 0.000 0.433 292 A N 0.117 122.930 122.820 -0.011 0.000 1.865 292 A HA -0.219 4.101 4.320 0.001 0.000 0.217 292 A C 2.530 180.090 177.584 -0.039 0.000 1.191 292 A CA 1.932 53.969 52.037 -0.000 0.000 0.623 292 A CB -0.883 18.124 19.000 0.012 0.000 0.826 292 A HN 0.396 nan 8.150 nan 0.000 0.444 293 A N -0.301 122.488 122.820 -0.051 0.000 1.933 293 A HA 0.149 4.470 4.320 0.001 0.000 0.218 293 A C 2.499 180.015 177.584 -0.112 0.000 1.175 293 A CA 2.168 54.159 52.037 -0.077 0.000 0.628 293 A CB -1.001 17.962 19.000 -0.062 0.000 0.814 293 A HN 1.086 nan 8.150 nan 0.000 0.444 294 A N -0.249 122.512 122.820 -0.098 0.000 1.877 294 A HA -0.169 4.151 4.320 0.001 0.000 0.216 294 A C 2.262 179.762 177.584 -0.139 0.000 1.186 294 A CA 1.492 53.461 52.037 -0.113 0.000 0.620 294 A CB -0.495 18.448 19.000 -0.094 0.000 0.822 294 A HN 0.525 nan 8.150 nan 0.000 0.443 295 R N -0.836 119.589 120.500 -0.126 0.000 2.081 295 R HA -0.136 4.205 4.340 0.001 0.000 0.235 295 R C 2.451 178.608 176.300 -0.238 0.000 1.131 295 R CA 1.478 57.491 56.100 -0.146 0.000 0.960 295 R CB -0.305 29.940 30.300 -0.092 0.000 0.856 295 R HN 0.590 nan 8.270 nan 0.000 0.436 296 Q N 0.641 120.263 119.800 -0.295 0.000 2.016 296 Q HA -0.102 4.239 4.340 0.001 0.000 0.200 296 Q C 2.381 177.822 176.000 -0.932 0.000 0.978 296 Q CA 1.224 56.651 55.803 -0.627 0.000 0.833 296 Q CB -0.300 28.162 28.738 -0.459 0.000 0.895 296 Q HN 0.372 nan 8.270 nan 0.000 0.427 297 L N 0.730 121.678 121.223 -0.457 0.000 2.042 297 L HA -0.250 4.090 4.340 0.001 0.000 0.210 297 L C 2.753 179.512 176.870 -0.186 0.000 1.076 297 L CA 1.448 56.147 54.840 -0.235 0.000 0.749 297 L CB -0.433 41.554 42.059 -0.119 0.000 0.893 297 L HN 0.341 nan 8.230 nan 0.000 0.432 298 Q N -0.529 119.151 119.800 -0.199 0.000 2.046 298 Q HA -0.238 4.103 4.340 0.001 0.000 0.200 298 Q C 2.368 178.293 176.000 -0.126 0.000 0.975 298 Q CA 1.934 57.659 55.803 -0.130 0.000 0.836 298 Q CB -0.077 28.586 28.738 -0.125 0.000 0.896 298 Q HN 0.364 nan 8.270 nan 0.000 0.428 299 S N -0.683 114.877 115.700 -0.233 0.000 2.440 299 S HA -0.101 4.369 4.470 0.001 0.000 0.238 299 S C 1.188 175.790 174.600 0.003 0.000 1.010 299 S CA 0.810 58.910 58.200 -0.167 0.000 0.972 299 S CB -0.243 62.811 63.200 -0.243 0.000 0.774 299 S HN 0.474 nan 8.310 nan 0.000 0.501 300 F N 1.062 121.014 119.950 0.004 0.000 2.789 300 F HA 0.395 4.923 4.527 0.001 0.000 0.300 300 F C 2.000 177.807 175.800 0.012 0.000 1.132 300 F CA -0.281 57.724 58.000 0.008 0.000 1.404 300 F CB -0.675 38.322 39.000 -0.006 0.000 1.114 300 F HN 0.339 nan 8.300 nan 0.000 0.584 301 G N 0.401 109.290 108.800 0.148 0.000 2.131 301 G HA2 -0.238 3.722 3.960 0.001 0.000 0.201 301 G HA3 -0.238 3.722 3.960 0.001 0.000 0.201 301 G C 0.136 175.073 174.900 0.060 0.000 1.000 301 G CA -0.287 44.865 45.100 0.088 0.000 0.680 301 G HN 0.187 nan 8.290 nan 0.000 0.514 302 M N 0.324 119.951 119.600 0.044 0.000 2.478 302 M HA 0.399 4.879 4.480 0.001 0.000 0.327 302 M C -0.385 175.901 176.300 -0.023 0.000 1.187 302 M CA -0.780 54.526 55.300 0.010 0.000 1.022 302 M CB 1.203 33.805 32.600 0.003 0.000 1.629 302 M HN 0.085 nan 8.290 nan 0.000 0.461 303 D N 2.042 122.422 120.400 -0.032 0.000 2.339 303 D HA 0.370 5.010 4.640 0.001 0.000 0.241 303 D C -1.504 174.759 176.300 -0.061 0.000 1.183 303 D CA -0.043 53.934 54.000 -0.039 0.000 0.859 303 D CB 0.732 41.516 40.800 -0.027 0.000 1.067 303 D HN 0.218 nan 8.370 nan 0.000 0.484 304 V N 3.682 123.555 119.914 -0.069 0.000 2.588 304 V HA 0.462 4.583 4.120 0.001 0.000 0.304 304 V C 0.168 176.205 176.094 -0.095 0.000 1.042 304 V CA -0.615 61.632 62.300 -0.089 0.000 0.877 304 V CB 2.209 33.972 31.823 -0.099 0.000 0.996 304 V HN 0.556 nan 8.190 nan 0.000 0.425 305 T N 5.855 120.339 114.554 -0.117 0.000 2.861 305 T HA 0.722 5.073 4.350 0.001 0.000 0.287 305 T C -0.831 173.754 174.700 -0.192 0.000 1.003 305 T CA -0.405 61.604 62.100 -0.151 0.000 0.977 305 T CB 1.481 70.250 68.868 -0.165 0.000 0.996 305 T HN 0.264 nan 8.240 nan 0.000 0.448 306 L N 3.158 124.267 121.223 -0.190 0.000 2.317 306 L HA 0.587 4.927 4.340 0.001 0.000 0.281 306 L C -0.570 176.155 176.870 -0.242 0.000 1.024 306 L CA -0.481 54.246 54.840 -0.188 0.000 0.810 306 L CB 1.211 43.188 42.059 -0.137 0.000 1.240 306 L HN 0.452 nan 8.230 nan 0.000 0.427 307 L N 2.782 123.855 121.223 -0.251 0.000 2.294 307 L HA 0.576 4.916 4.340 0.001 0.000 0.283 307 L C -0.446 176.300 176.870 -0.207 0.000 1.015 307 L CA -0.535 54.140 54.840 -0.274 0.000 0.831 307 L CB 1.578 43.445 42.059 -0.321 0.000 1.217 307 L HN 0.506 nan 8.230 nan 0.000 0.420 308 E N 1.961 122.033 120.200 -0.212 0.000 2.187 308 E HA 0.545 4.896 4.350 0.001 0.000 0.268 308 E C 0.172 176.584 176.600 -0.313 0.000 0.896 308 E CA -0.308 55.959 56.400 -0.223 0.000 0.766 308 E CB 2.155 31.751 29.700 -0.173 0.000 1.142 308 E HN 0.552 nan 8.360 nan 0.000 0.408 309 A N 5.184 127.710 122.820 -0.490 0.000 1.930 309 A HA 0.069 4.389 4.320 0.001 0.000 0.215 309 A C 0.985 178.112 177.584 -0.760 0.000 1.176 309 A CA 0.696 52.230 52.037 -0.838 0.000 0.632 309 A CB -0.139 17.826 19.000 -1.725 0.000 0.819 309 A HN 0.586 nan 8.150 nan 0.000 0.445 310 R N 0.437 120.578 120.500 -0.598 0.000 2.738 310 R HA 0.200 4.540 4.340 0.001 0.000 0.275 310 R C -0.147 176.057 176.300 -0.160 0.000 1.121 310 R CA 0.275 56.192 56.100 -0.305 0.000 1.207 310 R CB 0.123 30.336 30.300 -0.144 0.000 1.141 310 R HN 0.453 nan 8.270 nan 0.000 0.571 311 D N 0.318 120.678 120.400 -0.067 0.000 2.370 311 D HA 0.023 4.663 4.640 0.001 0.000 0.230 311 D C -0.059 176.224 176.300 -0.027 0.000 1.143 311 D CA -0.156 53.820 54.000 -0.040 0.000 0.834 311 D CB -0.035 40.761 40.800 -0.007 0.000 0.944 311 D HN 0.477 nan 8.370 nan 0.000 0.504 312 R N -1.656 118.824 120.500 -0.033 0.000 2.747 312 R HA 0.590 4.930 4.340 0.001 0.000 0.272 312 R C -0.847 175.441 176.300 -0.019 0.000 1.032 312 R CA -1.095 54.998 56.100 -0.013 0.000 0.896 312 R CB 0.884 31.194 30.300 0.018 0.000 1.253 312 R HN -0.106 nan 8.270 nan 0.000 0.461 313 V N -2.268 117.643 119.914 -0.006 0.000 3.302 313 V HA 0.859 4.979 4.120 0.001 0.000 0.316 313 V C 0.984 177.092 176.094 0.023 0.000 1.111 313 V CA 0.230 62.527 62.300 -0.005 0.000 1.029 313 V CB 0.763 32.579 31.823 -0.013 0.000 1.170 313 V HN 1.263 nan 8.190 nan 0.000 0.452 314 G N -1.093 107.720 108.800 0.022 0.000 2.241 314 G HA2 -0.019 3.941 3.960 0.001 0.000 0.244 314 G HA3 -0.019 3.941 3.960 0.001 0.000 0.244 314 G C 1.734 176.667 174.900 0.054 0.000 0.998 314 G CA 0.980 46.099 45.100 0.031 0.000 0.621 314 G HN 2.603 nan 8.290 nan 0.000 0.519 315 G N 0.473 109.325 108.800 0.087 0.000 2.752 315 G HA2 -0.470 3.490 3.960 0.001 0.000 0.349 315 G HA3 -0.470 3.490 3.960 0.001 0.000 0.349 315 G C 1.057 176.098 174.900 0.234 0.000 1.181 315 G CA 1.695 46.886 45.100 0.153 0.000 0.949 315 G HN 1.208 nan 8.290 nan 0.000 0.562 316 R N -0.058 120.520 120.500 0.131 0.000 2.319 316 R HA 0.334 4.674 4.340 0.001 0.000 0.204 316 R C 0.119 176.395 176.300 -0.039 0.000 0.954 316 R CA 0.213 56.310 56.100 -0.005 0.000 1.066 316 R CB 0.275 30.472 30.300 -0.171 0.000 0.991 316 R HN 0.205 nan 8.270 nan 0.000 0.486 317 V N 1.547 121.467 119.914 0.011 0.000 2.257 317 V HA 0.408 4.528 4.120 0.001 0.000 0.269 317 V C -0.375 175.783 176.094 0.106 0.000 1.040 317 V CA -0.597 61.678 62.300 -0.043 0.000 0.813 317 V CB 1.046 32.759 31.823 -0.183 0.000 1.065 317 V HN 0.115 nan 8.190 nan 0.000 0.457 318 A N 3.397 126.341 122.820 0.206 0.000 2.319 318 A HA 0.824 5.144 4.320 0.001 0.000 0.310 318 A C -0.006 177.709 177.584 0.218 0.000 1.152 318 A CA -0.442 51.738 52.037 0.238 0.000 0.783 318 A CB 1.220 20.424 19.000 0.339 0.000 1.184 318 A HN 0.548 nan 8.150 nan 0.000 0.474 319 T N 2.482 117.139 114.554 0.172 0.000 2.792 319 T HA 0.443 4.793 4.350 0.001 0.000 0.280 319 T C -0.624 174.166 174.700 0.149 0.000 0.990 319 T CA -0.142 62.050 62.100 0.154 0.000 0.960 319 T CB 0.549 69.489 68.868 0.120 0.000 0.939 319 T HN 0.503 nan 8.240 nan 0.000 0.439 320 F N 4.404 124.357 119.950 0.005 0.000 2.467 320 F HA 0.497 5.024 4.527 0.001 0.000 0.362 320 F C 0.291 176.081 175.800 -0.017 0.000 1.090 320 F CA -0.829 57.163 58.000 -0.014 0.000 1.202 320 F CB 0.299 39.276 39.000 -0.039 0.000 1.113 320 F HN 0.391 nan 8.300 nan 0.000 0.541 321 R N 5.909 126.021 120.500 -0.647 0.000 2.483 321 R HA 0.391 4.731 4.340 0.001 0.000 0.303 321 R C -1.292 174.625 176.300 -0.637 0.000 0.987 321 R CA -0.995 54.761 56.100 -0.573 0.000 0.881 321 R CB 1.974 32.137 30.300 -0.228 0.000 1.177 321 R HN 0.628 nan 8.270 nan 0.000 0.451 322 K N 2.070 122.125 120.400 -0.576 0.000 2.656 322 K HA 0.300 4.621 4.320 0.001 0.000 0.253 322 K C 0.121 176.693 176.600 -0.047 0.000 1.002 322 K CA 0.222 56.352 56.287 -0.263 0.000 0.880 322 K CB 1.527 33.901 32.500 -0.210 0.000 1.232 322 K HN 0.736 nan 8.250 nan 0.000 0.456 323 G N 3.759 112.531 108.800 -0.047 0.000 2.574 323 G HA2 -0.364 3.596 3.960 0.001 0.000 0.301 323 G HA3 -0.364 3.596 3.960 0.001 0.000 0.301 323 G C 0.378 175.214 174.900 -0.107 0.000 1.166 323 G CA 0.461 45.532 45.100 -0.049 0.000 0.971 323 G HN 0.637 nan 8.290 nan 0.000 0.542 324 N N 0.333 118.913 118.700 -0.200 0.000 2.236 324 N HA 0.196 4.936 4.740 0.001 0.000 0.196 324 N C -0.079 175.303 175.510 -0.213 0.000 1.114 324 N CA 0.193 53.115 53.050 -0.212 0.000 0.859 324 N CB 0.160 38.504 38.487 -0.239 0.000 0.982 324 N HN 0.448 nan 8.380 nan 0.000 0.493 325 Y N 0.634 120.886 120.300 -0.080 0.000 2.436 325 Y HA 0.255 4.805 4.550 0.001 0.000 0.336 325 Y C 0.434 176.196 175.900 -0.229 0.000 1.049 325 Y CA -0.267 57.776 58.100 -0.094 0.000 1.294 325 Y CB 0.748 39.182 38.460 -0.043 0.000 1.179 325 Y HN -0.326 nan 8.280 nan 0.000 0.520 326 V N 3.166 123.042 119.914 -0.062 0.000 2.525 326 V HA 0.862 4.982 4.120 0.001 0.000 0.299 326 V C -0.651 175.081 176.094 -0.604 0.000 1.034 326 V CA -0.881 61.283 62.300 -0.227 0.000 0.863 326 V CB 1.563 33.316 31.823 -0.118 0.000 0.999 326 V HN 0.817 nan 8.190 nan 0.000 0.423 327 A N 3.385 125.943 122.820 -0.437 0.000 2.488 327 A HA 0.664 4.984 4.320 0.001 0.000 0.295 327 A C -1.194 176.341 177.584 -0.081 0.000 1.045 327 A CA -0.693 50.995 52.037 -0.582 0.000 0.703 327 A CB 1.261 20.137 19.000 -0.207 0.000 1.271 327 A HN 0.677 nan 8.150 nan 0.000 0.400 328 D N 2.086 122.523 120.400 0.062 0.000 2.308 328 D HA 0.332 4.972 4.640 0.001 0.000 0.251 328 D C 0.686 177.105 176.300 0.199 0.000 1.127 328 D CA 0.057 54.173 54.000 0.194 0.000 0.876 328 D CB 1.721 42.683 40.800 0.270 0.000 1.176 328 D HN 0.479 nan 8.370 nan 0.000 0.446 329 L N 1.405 122.777 121.223 0.248 0.000 2.590 329 L HA 0.205 4.546 4.340 0.001 0.000 0.227 329 L C 1.519 178.698 176.870 0.515 0.000 1.099 329 L CA 0.093 55.124 54.840 0.319 0.000 0.872 329 L CB 0.459 42.670 42.059 0.255 0.000 1.088 329 L HN 0.385 nan 8.230 nan 0.000 0.479 330 G N -0.569 108.458 108.800 0.377 0.000 3.341 330 G HA2 0.575 4.535 3.960 0.001 0.000 0.177 330 G HA3 0.575 4.535 3.960 0.001 0.000 0.177 330 G C -0.348 174.581 174.900 0.048 0.000 1.236 330 G CA 0.144 45.332 45.100 0.146 0.000 0.888 330 G HN 0.103 nan 8.290 nan 0.000 0.644 331 A N -0.262 122.523 122.820 -0.058 0.000 2.520 331 A HA 0.467 4.788 4.320 0.001 0.000 0.235 331 A C 0.766 178.457 177.584 0.179 0.000 1.065 331 A CA 1.189 53.198 52.037 -0.047 0.000 0.764 331 A CB 0.200 19.024 19.000 -0.294 0.000 1.002 331 A HN 1.097 nan 8.150 nan 0.000 0.502 332 M N 1.565 121.307 119.600 0.236 0.000 2.040 332 M HA 0.256 4.736 4.480 0.001 0.000 0.338 332 M C -1.168 175.202 176.300 0.116 0.000 0.905 332 M CA 0.368 55.807 55.300 0.231 0.000 1.148 332 M CB 0.567 33.196 32.600 0.049 0.000 2.135 332 M HN 0.325 nan 8.290 nan 0.000 0.728 333 V N 2.610 122.593 119.914 0.114 0.000 2.435 333 V HA 0.469 4.589 4.120 0.001 0.000 0.290 333 V C -0.268 175.888 176.094 0.103 0.000 1.030 333 V CA -0.736 61.598 62.300 0.056 0.000 0.881 333 V CB 1.706 33.567 31.823 0.063 0.000 0.983 333 V HN 0.107 nan 8.190 nan 0.000 0.445 334 V N 3.881 123.808 119.914 0.022 0.000 2.394 334 V HA 0.366 4.486 4.120 0.001 0.000 0.282 334 V C 0.602 176.670 176.094 -0.043 0.000 1.031 334 V CA -0.358 61.964 62.300 0.036 0.000 0.881 334 V CB 1.892 33.692 31.823 -0.039 0.000 0.982 334 V HN 1.020 nan 8.190 nan 0.000 0.451 335 T N 1.541 116.073 114.554 -0.037 0.000 3.145 335 T HA 0.609 4.959 4.350 0.001 0.000 0.348 335 T C 0.385 175.094 174.700 0.016 0.000 1.299 335 T CA 0.197 62.117 62.100 -0.300 0.000 1.037 335 T CB 0.016 68.710 68.868 -0.290 0.000 1.122 335 T HN 1.771 nan 8.240 nan 0.000 0.600 336 G N 2.230 111.063 108.800 0.054 0.000 2.825 336 G HA2 -0.154 3.807 3.960 0.001 0.000 0.686 336 G HA3 -0.154 3.807 3.960 0.001 0.000 0.686 336 G C 0.186 175.105 174.900 0.032 0.000 1.362 336 G CA -0.337 44.853 45.100 0.150 0.000 0.975 336 G HN 0.728 nan 8.290 nan 0.000 0.594 337 L N 1.486 122.709 121.223 0.001 0.000 2.513 337 L HA 0.248 4.588 4.340 0.001 0.000 0.222 337 L C 2.187 178.970 176.870 -0.144 0.000 1.096 337 L CA 0.616 55.393 54.840 -0.105 0.000 0.857 337 L CB -0.035 41.993 42.059 -0.052 0.000 1.026 337 L HN 0.812 nan 8.230 nan 0.000 0.469 338 G N -0.053 108.751 108.800 0.007 0.000 2.404 338 G HA2 0.353 4.313 3.960 0.001 0.000 0.289 338 G HA3 0.353 4.313 3.960 0.001 0.000 0.289 338 G C 1.063 175.855 174.900 -0.181 0.000 1.074 338 G CA 0.580 45.760 45.100 0.133 0.000 1.210 338 G HN 0.422 nan 8.290 nan 0.000 0.434 339 G N 2.321 110.861 108.800 -0.433 0.000 2.213 339 G HA2 -0.302 3.659 3.960 0.001 0.000 0.236 339 G HA3 -0.302 3.659 3.960 0.001 0.000 0.236 339 G C 0.606 174.906 174.900 -1.001 0.000 0.991 339 G CA 0.087 44.810 45.100 -0.628 0.000 0.629 339 G HN 0.881 nan 8.290 nan 0.000 0.517 340 N N 1.919 119.774 118.700 -1.409 0.000 2.452 340 N HA 0.309 5.050 4.740 0.001 0.000 0.266 340 N C -0.479 174.673 175.510 -0.597 0.000 1.175 340 N CA -1.415 50.716 53.050 -1.531 0.000 0.945 340 N CB 1.595 39.411 38.487 -1.119 0.000 1.063 340 N HN 0.135 nan 8.380 nan 0.000 0.472 341 P HA -0.122 nan 4.420 nan 0.000 0.225 341 P C 1.196 178.527 177.300 0.052 0.000 1.148 341 P CA 0.879 63.935 63.100 -0.073 0.000 0.779 341 P CB 0.268 31.901 31.700 -0.112 0.000 0.780 342 M N -0.776 118.801 119.600 -0.038 0.000 2.557 342 M HA 0.030 4.510 4.480 0.001 0.000 0.259 342 M C 2.038 178.328 176.300 -0.018 0.000 1.086 342 M CA 0.554 55.872 55.300 0.029 0.000 1.096 342 M CB -1.616 31.021 32.600 0.062 0.000 1.424 342 M HN -0.066 nan 8.290 nan 0.000 0.488 343 A N -0.308 122.467 122.820 -0.075 0.000 1.930 343 A HA -0.037 4.283 4.320 0.001 0.000 0.217 343 A C 2.419 179.960 177.584 -0.071 0.000 1.175 343 A CA 1.295 53.282 52.037 -0.083 0.000 0.627 343 A CB -0.642 18.290 19.000 -0.114 0.000 0.815 343 A HN 0.270 nan 8.150 nan 0.000 0.443 344 V N -0.486 119.406 119.914 -0.036 0.000 2.323 344 V HA -0.185 3.936 4.120 0.001 0.000 0.244 344 V C 2.566 178.607 176.094 -0.089 0.000 1.041 344 V CA 1.826 64.062 62.300 -0.107 0.000 1.025 344 V CB -0.596 31.183 31.823 -0.074 0.000 0.656 344 V HN 0.352 nan 8.190 nan 0.000 0.451 345 V N 1.179 121.105 119.914 0.019 0.000 2.392 345 V HA -0.231 3.889 4.120 0.001 0.000 0.249 345 V C 2.632 178.725 176.094 -0.002 0.000 1.059 345 V CA 2.285 64.609 62.300 0.040 0.000 1.051 345 V CB -0.850 31.044 31.823 0.119 0.000 0.658 345 V HN 0.772 nan 8.190 nan 0.000 0.455 346 S N -0.673 115.013 115.700 -0.022 0.000 2.507 346 S HA -0.112 4.358 4.470 0.001 0.000 0.235 346 S C 1.711 176.276 174.600 -0.058 0.000 0.988 346 S CA 0.966 59.141 58.200 -0.042 0.000 0.944 346 S CB -0.290 62.877 63.200 -0.055 0.000 0.762 346 S HN 0.659 nan 8.310 nan 0.000 0.526 347 K N 0.294 120.646 120.400 -0.080 0.000 2.352 347 K HA 0.201 4.522 4.320 0.001 0.000 0.194 347 K C 2.066 178.610 176.600 -0.094 0.000 1.038 347 K CA 0.326 56.553 56.287 -0.101 0.000 1.023 347 K CB 0.096 32.505 32.500 -0.151 0.000 0.840 347 K HN 0.485 nan 8.250 nan 0.000 0.519 348 Q N 0.168 119.922 119.800 -0.077 0.000 2.339 348 Q HA 0.083 4.423 4.340 0.001 0.000 0.205 348 Q C 0.230 176.215 176.000 -0.024 0.000 0.925 348 Q CA 0.399 56.173 55.803 -0.049 0.000 0.898 348 Q CB 0.857 29.577 28.738 -0.029 0.000 1.013 348 Q HN -0.036 nan 8.270 nan 0.000 0.504 349 V N 1.586 121.489 119.914 -0.017 0.000 2.667 349 V HA 0.167 4.287 4.120 0.001 0.000 0.308 349 V C 0.047 176.133 176.094 -0.014 0.000 1.048 349 V CA -1.042 61.255 62.300 -0.005 0.000 0.928 349 V CB 1.779 33.612 31.823 0.017 0.000 1.004 349 V HN 0.150 nan 8.190 nan 0.000 0.444 350 N N 3.543 122.237 118.700 -0.010 0.000 3.027 350 N HA 0.137 4.878 4.740 0.001 0.000 0.309 350 N C -0.462 175.041 175.510 -0.013 0.000 1.222 350 N CA 0.210 53.252 53.050 -0.013 0.000 1.187 350 N CB -0.180 38.303 38.487 -0.008 0.000 1.458 350 N HN 0.614 nan 8.380 nan 0.000 0.535 351 M N 0.941 120.526 119.600 -0.025 0.000 2.108 351 M HA 0.114 4.594 4.480 0.001 0.000 0.354 351 M C 0.425 176.701 176.300 -0.041 0.000 1.229 351 M CA -0.243 55.032 55.300 -0.041 0.000 1.081 351 M CB 1.109 33.669 32.600 -0.067 0.000 1.606 351 M HN 0.154 nan 8.290 nan 0.000 0.467 352 E N 4.702 124.882 120.200 -0.033 0.000 2.026 352 E HA 0.294 4.645 4.350 0.001 0.000 0.253 352 E C -1.178 175.398 176.600 -0.041 0.000 1.056 352 E CA -0.279 56.106 56.400 -0.024 0.000 0.927 352 E CB 0.300 29.998 29.700 -0.002 0.000 1.172 352 E HN 0.606 nan 8.360 nan 0.000 0.445 353 L N 2.760 123.953 121.223 -0.049 0.000 2.367 353 L HA 0.442 4.782 4.340 0.001 0.000 0.275 353 L C 0.079 176.930 176.870 -0.031 0.000 1.129 353 L CA -0.378 54.429 54.840 -0.056 0.000 0.839 353 L CB 1.184 43.208 42.059 -0.058 0.000 1.133 353 L HN 0.432 nan 8.230 nan 0.000 0.453 354 A N 4.170 126.972 122.820 -0.030 0.000 2.359 354 A HA 0.487 4.807 4.320 0.001 0.000 0.303 354 A C -0.560 177.034 177.584 0.016 0.000 1.066 354 A CA -0.843 51.190 52.037 -0.007 0.000 0.730 354 A CB 0.989 19.981 19.000 -0.013 0.000 1.211 354 A HN 0.651 nan 8.150 nan 0.000 0.439 355 K N 1.356 121.779 120.400 0.038 0.000 2.469 355 K HA 0.173 4.493 4.320 0.001 0.000 0.274 355 K C -0.661 175.994 176.600 0.091 0.000 0.983 355 K CA 0.568 56.897 56.287 0.069 0.000 0.974 355 K CB 0.488 33.029 32.500 0.068 0.000 0.913 355 K HN 0.604 nan 8.250 nan 0.000 0.493 356 I N 3.653 124.301 120.570 0.130 0.000 2.304 356 I HA 0.077 4.247 4.170 0.001 0.000 0.291 356 I C 0.238 176.449 176.117 0.156 0.000 1.018 356 I CA -0.360 61.045 61.300 0.175 0.000 1.260 356 I CB 0.865 39.018 38.000 0.255 0.000 1.390 356 I HN 0.272 nan 8.210 nan 0.000 0.475 357 K N 6.389 126.875 120.400 0.144 0.000 2.378 357 K HA 0.078 4.398 4.320 0.001 0.000 0.288 357 K C 0.647 177.318 176.600 0.120 0.000 1.057 357 K CA -0.352 56.004 56.287 0.116 0.000 0.971 357 K CB 0.737 33.300 32.500 0.105 0.000 0.975 357 K HN 0.499 nan 8.250 nan 0.000 0.475 358 Q N 1.692 121.553 119.800 0.102 0.000 2.515 358 Q HA -0.069 4.271 4.340 0.001 0.000 0.212 358 Q C 0.000 176.045 176.000 0.075 0.000 0.970 358 Q CA 0.621 56.482 55.803 0.095 0.000 0.941 358 Q CB 0.056 28.845 28.738 0.086 0.000 0.998 358 Q HN 0.379 nan 8.270 nan 0.000 0.518 359 K N 0.804 121.243 120.400 0.066 0.000 2.338 359 K HA 0.083 4.404 4.320 0.001 0.000 0.290 359 K C -1.095 175.527 176.600 0.036 0.000 1.069 359 K CA -0.052 56.263 56.287 0.046 0.000 0.941 359 K CB 0.396 32.924 32.500 0.046 0.000 1.023 359 K HN 0.023 nan 8.250 nan 0.000 0.477 360 C N 8.263 127.564 119.300 0.002 0.000 2.437 360 C HA 0.485 4.945 4.460 0.001 0.000 0.307 360 C C -2.558 172.358 174.990 -0.124 0.000 1.093 360 C CA -2.230 56.768 59.018 -0.033 0.000 1.463 360 C CB -0.099 27.623 27.740 -0.028 0.000 1.926 360 C HN 0.688 nan 8.230 nan 0.000 0.420 361 P HA 0.408 nan 4.420 nan 0.000 0.275 361 P C -0.916 176.139 177.300 -0.408 0.000 1.227 361 P CA 0.078 63.020 63.100 -0.263 0.000 0.781 361 P CB 0.554 32.120 31.700 -0.224 0.000 0.906 362 L N 3.059 123.925 121.223 -0.594 0.000 2.331 362 L HA 0.516 4.856 4.340 0.001 0.000 0.275 362 L C -0.532 175.920 176.870 -0.696 0.000 1.022 362 L CA -0.841 53.632 54.840 -0.611 0.000 0.812 362 L CB 0.938 42.586 42.059 -0.685 0.000 1.257 362 L HN 0.362 nan 8.230 nan 0.000 0.435 363 Y N 0.050 120.248 120.300 -0.169 0.000 2.373 363 Y HA 0.314 4.865 4.550 0.001 0.000 0.336 363 Y C 0.065 175.915 175.900 -0.083 0.000 0.979 363 Y CA -0.827 57.205 58.100 -0.114 0.000 1.080 363 Y CB 1.722 40.122 38.460 -0.099 0.000 1.190 363 Y HN 0.543 nan 8.280 nan 0.000 0.446 364 E N 1.055 121.279 120.200 0.040 0.000 2.391 364 E HA 0.252 4.602 4.350 0.001 0.000 0.255 364 E C 0.852 177.491 176.600 0.065 0.000 1.187 364 E CA 0.318 56.718 56.400 0.001 0.000 0.941 364 E CB 0.725 30.415 29.700 -0.017 0.000 1.010 364 E HN 0.844 nan 8.360 nan 0.000 0.458 365 A N 2.114 124.956 122.820 0.038 0.000 1.958 365 A HA -0.289 4.031 4.320 0.001 0.000 0.221 365 A C 1.719 179.373 177.584 0.116 0.000 1.178 365 A CA 2.326 54.438 52.037 0.125 0.000 0.642 365 A CB -0.894 18.160 19.000 0.090 0.000 0.816 365 A HN 0.731 nan 8.150 nan 0.000 0.453 366 N N -1.202 117.535 118.700 0.063 0.000 2.381 366 N HA 0.156 4.896 4.740 0.001 0.000 0.182 366 N C 1.192 176.716 175.510 0.024 0.000 1.025 366 N CA 1.903 54.976 53.050 0.037 0.000 0.888 366 N CB -0.641 37.857 38.487 0.020 0.000 0.965 366 N HN 1.020 nan 8.380 nan 0.000 0.438 367 G N -1.152 107.673 108.800 0.041 0.000 2.218 367 G HA2 -0.243 3.718 3.960 0.001 0.000 0.216 367 G HA3 -0.243 3.718 3.960 0.001 0.000 0.216 367 G C -0.356 174.567 174.900 0.038 0.000 0.994 367 G CA -0.049 45.047 45.100 -0.006 0.000 0.637 367 G HN 0.468 nan 8.290 nan 0.000 0.505 368 Q N 0.870 120.703 119.800 0.055 0.000 2.288 368 Q HA 0.628 4.968 4.340 0.001 0.000 0.254 368 Q C 0.786 176.826 176.000 0.068 0.000 0.932 368 Q CA 0.144 55.982 55.803 0.058 0.000 0.902 368 Q CB 1.423 30.166 28.738 0.008 0.000 1.203 368 Q HN 0.703 nan 8.270 nan 0.000 0.415 369 A N 2.223 125.061 122.820 0.030 0.000 2.448 369 A HA 0.231 4.551 4.320 0.001 0.000 0.239 369 A C -0.219 177.239 177.584 -0.210 0.000 1.080 369 A CA -0.395 51.499 52.037 -0.239 0.000 0.779 369 A CB 0.476 19.299 19.000 -0.294 0.000 1.026 369 A HN 0.532 nan 8.150 nan 0.000 0.499 370 V N 3.976 123.713 119.914 -0.295 0.000 2.350 370 V HA 0.305 4.425 4.120 0.001 0.000 0.276 370 V C -1.809 174.176 176.094 -0.182 0.000 1.028 370 V CA -1.176 60.997 62.300 -0.212 0.000 0.860 370 V CB 0.835 32.516 31.823 -0.236 0.000 0.990 370 V HN 0.889 nan 8.190 nan 0.000 0.453 371 P HA 0.131 nan 4.420 nan 0.000 0.267 371 P C 0.714 177.958 177.300 -0.092 0.000 1.200 371 P CA -0.209 62.832 63.100 -0.098 0.000 0.772 371 P CB 1.090 32.747 31.700 -0.071 0.000 0.855 372 K N 1.175 121.528 120.400 -0.078 0.000 2.089 372 K HA -0.223 4.097 4.320 0.001 0.000 0.210 372 K C 1.875 178.444 176.600 -0.051 0.000 1.048 372 K CA 1.787 58.036 56.287 -0.063 0.000 0.926 372 K CB -0.040 32.432 32.500 -0.047 0.000 0.714 372 K HN 0.534 nan 8.250 nan 0.000 0.448 373 E N 0.385 120.557 120.200 -0.047 0.000 2.038 373 E HA -0.204 4.146 4.350 0.001 0.000 0.195 373 E C 2.056 178.630 176.600 -0.044 0.000 1.000 373 E CA 1.147 57.524 56.400 -0.039 0.000 0.803 373 E CB 0.080 29.758 29.700 -0.036 0.000 0.750 373 E HN 0.160 nan 8.360 nan 0.000 0.448 374 K N 0.780 121.147 120.400 -0.054 0.000 2.025 374 K HA -0.140 4.180 4.320 0.001 0.000 0.207 374 K C 1.891 178.457 176.600 -0.056 0.000 1.049 374 K CA 1.010 57.262 56.287 -0.058 0.000 0.933 374 K CB -0.491 31.969 32.500 -0.067 0.000 0.714 374 K HN 0.085 nan 8.250 nan 0.000 0.438 375 D N 1.327 121.687 120.400 -0.067 0.000 2.116 375 D HA -0.177 4.463 4.640 0.001 0.000 0.193 375 D C 1.637 177.926 176.300 -0.018 0.000 0.998 375 D CA 1.517 55.483 54.000 -0.055 0.000 0.836 375 D CB 0.138 40.881 40.800 -0.094 0.000 0.951 375 D HN 0.280 nan 8.370 nan 0.000 0.449 376 E N -0.954 119.231 120.200 -0.025 0.000 2.107 376 E HA -0.096 4.254 4.350 0.001 0.000 0.191 376 E C 2.339 178.925 176.600 -0.022 0.000 0.982 376 E CA 0.519 56.911 56.400 -0.013 0.000 0.809 376 E CB -0.046 29.647 29.700 -0.012 0.000 0.756 376 E HN 0.366 nan 8.360 nan 0.000 0.459 377 M N 0.180 119.761 119.600 -0.033 0.000 2.132 377 M HA -0.154 4.326 4.480 0.001 0.000 0.263 377 M C 2.288 178.556 176.300 -0.055 0.000 1.065 377 M CA 1.103 56.380 55.300 -0.039 0.000 1.122 377 M CB 0.069 32.643 32.600 -0.043 0.000 1.365 377 M HN 0.012 nan 8.290 nan 0.000 0.411 378 V N -0.150 119.724 119.914 -0.066 0.000 2.379 378 V HA -0.229 3.891 4.120 0.001 0.000 0.245 378 V C 2.125 178.113 176.094 -0.178 0.000 1.044 378 V CA 1.880 64.123 62.300 -0.095 0.000 1.036 378 V CB -0.739 31.051 31.823 -0.055 0.000 0.664 378 V HN 0.502 nan 8.190 nan 0.000 0.453 379 E N -0.010 120.064 120.200 -0.211 0.000 2.077 379 E HA -0.299 4.052 4.350 0.001 0.000 0.193 379 E C 2.322 178.888 176.600 -0.056 0.000 0.989 379 E CA 1.515 57.734 56.400 -0.302 0.000 0.800 379 E CB -0.088 29.558 29.700 -0.090 0.000 0.746 379 E HN 0.663 nan 8.360 nan 0.000 0.452 380 Q N 0.226 120.010 119.800 -0.027 0.000 2.124 380 Q HA -0.241 4.099 4.340 0.001 0.000 0.202 380 Q C 1.917 177.920 176.000 0.004 0.000 0.977 380 Q CA 1.698 57.502 55.803 0.002 0.000 0.850 380 Q CB 0.030 28.767 28.738 -0.002 0.000 0.901 380 Q HN 0.104 nan 8.270 nan 0.000 0.429 381 E N -0.124 120.072 120.200 -0.006 0.000 2.106 381 E HA -0.157 4.193 4.350 0.001 0.000 0.192 381 E C 1.500 178.127 176.600 0.046 0.000 0.984 381 E CA 1.001 57.413 56.400 0.019 0.000 0.806 381 E CB -0.442 29.249 29.700 -0.014 0.000 0.750 381 E HN 0.449 nan 8.360 nan 0.000 0.458 382 F N 1.220 121.081 119.950 -0.150 0.000 2.102 382 F HA -0.178 4.350 4.527 0.001 0.000 0.298 382 F C 1.702 177.493 175.800 -0.014 0.000 1.105 382 F CA 1.693 59.598 58.000 -0.159 0.000 1.239 382 F CB -0.397 38.377 39.000 -0.376 0.000 0.991 382 F HN 0.043 nan 8.300 nan 0.000 0.474 383 N N 0.643 119.232 118.700 -0.185 0.000 2.188 383 N HA -0.120 4.621 4.740 0.001 0.000 0.184 383 N C 1.978 177.417 175.510 -0.119 0.000 1.018 383 N CA 1.190 54.117 53.050 -0.205 0.000 0.858 383 N CB -0.402 38.069 38.487 -0.027 0.000 0.989 383 N HN 0.392 nan 8.380 nan 0.000 0.426 384 R N 0.510 120.979 120.500 -0.052 0.000 2.092 384 R HA 0.081 4.421 4.340 0.001 0.000 0.231 384 R C 2.235 178.533 176.300 -0.003 0.000 1.119 384 R CA 0.600 56.691 56.100 -0.014 0.000 0.970 384 R CB -0.194 30.113 30.300 0.012 0.000 0.864 384 R HN 0.179 nan 8.270 nan 0.000 0.440 385 L N 0.306 121.532 121.223 0.004 0.000 2.093 385 L HA -0.147 4.193 4.340 0.001 0.000 0.208 385 L C 2.194 179.076 176.870 0.021 0.000 1.085 385 L CA 1.026 55.900 54.840 0.056 0.000 0.755 385 L CB -0.239 41.920 42.059 0.167 0.000 0.904 385 L HN 0.207 nan 8.230 nan 0.000 0.435 386 L N -0.595 120.582 121.223 -0.076 0.000 2.056 386 L HA -0.204 4.136 4.340 0.001 0.000 0.207 386 L C 2.517 179.435 176.870 0.081 0.000 1.078 386 L CA 1.196 56.024 54.840 -0.021 0.000 0.749 386 L CB -0.381 41.608 42.059 -0.118 0.000 0.901 386 L HN 0.295 nan 8.230 nan 0.000 0.433 387 E N 0.202 120.428 120.200 0.044 0.000 2.110 387 E HA -0.227 4.123 4.350 0.001 0.000 0.193 387 E C 2.191 178.856 176.600 0.109 0.000 0.988 387 E CA 1.106 57.552 56.400 0.076 0.000 0.804 387 E CB 0.049 29.770 29.700 0.034 0.000 0.745 387 E HN 0.464 nan 8.360 nan 0.000 0.458 388 A N 0.307 123.173 122.820 0.077 0.000 1.930 388 A HA -0.172 4.148 4.320 0.001 0.000 0.217 388 A C 2.382 180.059 177.584 0.155 0.000 1.175 388 A CA 2.000 54.089 52.037 0.087 0.000 0.627 388 A CB -1.024 17.993 19.000 0.027 0.000 0.815 388 A HN 0.480 nan 8.150 nan 0.000 0.443 389 T N -2.964 111.670 114.554 0.134 0.000 2.867 389 T HA -0.116 4.234 4.350 0.001 0.000 0.268 389 T C 2.025 176.834 174.700 0.182 0.000 1.057 389 T CA 1.762 63.947 62.100 0.143 0.000 1.136 389 T CB -0.485 68.449 68.868 0.111 0.000 0.874 389 T HN 0.333 nan 8.240 nan 0.000 0.466 390 S N 0.202 116.038 115.700 0.226 0.000 2.368 390 S HA -0.089 4.381 4.470 0.001 0.000 0.224 390 S C 1.786 176.571 174.600 0.308 0.000 1.029 390 S CA 0.769 59.139 58.200 0.283 0.000 0.988 390 S CB -0.704 62.677 63.200 0.301 0.000 0.838 390 S HN 0.668 nan 8.310 nan 0.000 0.462 391 Y N 1.490 121.876 120.300 0.143 0.000 2.181 391 Y HA -0.042 4.508 4.550 0.000 0.000 0.288 391 Y C 1.987 177.938 175.900 0.085 0.000 1.146 391 Y CA 1.682 59.847 58.100 0.108 0.000 1.164 391 Y CB -0.458 38.035 38.460 0.055 0.000 0.982 391 Y HN 0.338 nan 8.280 nan 0.000 0.515 392 L N -0.530 120.803 121.223 0.184 0.000 2.191 392 L HA -0.128 4.213 4.340 0.001 0.000 0.212 392 L C 2.484 179.386 176.870 0.053 0.000 1.103 392 L CA 2.112 57.010 54.840 0.096 0.000 0.769 392 L CB -0.861 41.279 42.059 0.134 0.000 0.908 392 L HN 0.347 nan 8.230 nan 0.000 0.438 393 S N -1.863 113.837 115.700 0.001 0.000 2.398 393 S HA -0.089 4.381 4.470 0.001 0.000 0.220 393 S C 1.897 176.362 174.600 -0.225 0.000 1.046 393 S CA 0.847 58.969 58.200 -0.129 0.000 0.953 393 S CB -0.296 62.757 63.200 -0.244 0.000 0.856 393 S HN 0.685 nan 8.310 nan 0.000 0.506 394 H N 0.507 119.548 119.070 -0.047 0.000 2.372 394 H HA 0.201 4.758 4.556 0.000 0.000 0.301 394 H C 2.422 177.672 175.328 -0.130 0.000 1.065 394 H CA 1.434 57.440 56.048 -0.070 0.000 1.364 394 H CB 0.105 29.841 29.762 -0.045 0.000 1.406 394 H HN 0.298 nan 8.280 nan 0.000 0.521 395 Q N 0.228 119.937 119.800 -0.151 0.000 2.165 395 Q HA 0.095 4.436 4.340 0.001 0.000 0.197 395 Q C 2.086 177.921 176.000 -0.275 0.000 0.952 395 Q CA 0.691 56.309 55.803 -0.309 0.000 0.848 395 Q CB 0.261 28.577 28.738 -0.704 0.000 0.931 395 Q HN 0.458 nan 8.270 nan 0.000 0.470 396 L N 0.667 121.718 121.223 -0.286 0.000 2.567 396 L HA 0.074 4.414 4.340 0.001 0.000 0.225 396 L C 0.058 176.919 176.870 -0.015 0.000 1.119 396 L CA 0.041 54.805 54.840 -0.127 0.000 0.871 396 L CB -0.034 41.968 42.059 -0.094 0.000 1.036 396 L HN 0.166 nan 8.230 nan 0.000 0.459 397 D N 0.041 120.425 120.400 -0.026 0.000 2.811 397 D HA -0.299 4.342 4.640 0.001 0.000 0.231 397 D C 0.006 176.337 176.300 0.052 0.000 1.157 397 D CA 0.360 54.357 54.000 -0.005 0.000 0.716 397 D CB -1.219 39.575 40.800 -0.010 0.000 1.077 397 D HN 0.217 nan 8.370 nan 0.000 0.428 398 F N 0.838 120.743 119.950 -0.075 0.000 2.652 398 F HA 0.350 4.878 4.527 0.000 0.000 0.352 398 F C 0.912 176.675 175.800 -0.060 0.000 1.259 398 F CA -0.149 57.819 58.000 -0.053 0.000 1.249 398 F CB -0.174 38.803 39.000 -0.039 0.000 1.628 398 F HN -0.017 nan 8.300 nan 0.000 0.654 399 N N 2.079 120.620 118.700 -0.264 0.000 2.210 399 N HA 0.130 4.870 4.740 0.001 0.000 0.203 399 N C -0.818 174.515 175.510 -0.295 0.000 1.175 399 N CA 0.328 53.218 53.050 -0.267 0.000 0.894 399 N CB 1.564 39.950 38.487 -0.167 0.000 1.041 399 N HN 0.178 nan 8.380 nan 0.000 0.506 400 V N 1.958 121.677 119.914 -0.326 0.000 2.623 400 V HA 0.461 4.582 4.120 0.001 0.000 0.304 400 V C -1.205 174.714 176.094 -0.291 0.000 1.054 400 V CA -0.789 61.363 62.300 -0.246 0.000 0.882 400 V CB 2.714 34.459 31.823 -0.130 0.000 1.002 400 V HN -0.048 nan 8.190 nan 0.000 0.424 401 L N 4.951 126.025 121.223 -0.249 0.000 2.441 401 L HA 0.654 4.995 4.340 0.001 0.000 0.270 401 L C -0.071 176.751 176.870 -0.079 0.000 0.973 401 L CA 0.176 54.916 54.840 -0.167 0.000 0.842 401 L CB 1.563 43.498 42.059 -0.208 0.000 1.239 401 L HN 0.680 nan 8.230 nan 0.000 0.406 402 N N 4.132 122.809 118.700 -0.038 0.000 2.758 402 N HA -0.233 4.508 4.740 0.001 0.000 0.248 402 N C 0.250 175.744 175.510 -0.027 0.000 1.076 402 N CA 1.084 54.122 53.050 -0.020 0.000 0.696 402 N CB -1.267 37.214 38.487 -0.009 0.000 0.979 402 N HN 0.813 nan 8.380 nan 0.000 0.550 403 N N -2.931 115.748 118.700 -0.035 0.000 2.936 403 N HA -0.219 4.522 4.740 0.001 0.000 0.236 403 N C -0.666 174.822 175.510 -0.037 0.000 0.930 403 N CA 1.607 54.638 53.050 -0.032 0.000 0.966 403 N CB -0.573 37.903 38.487 -0.019 0.000 1.090 403 N HN 0.595 nan 8.380 nan 0.000 0.592 404 K N 1.139 121.509 120.400 -0.049 0.000 2.138 404 K HA 0.448 4.768 4.320 0.001 0.000 0.263 404 K C -2.505 174.048 176.600 -0.078 0.000 0.965 404 K CA -1.566 54.691 56.287 -0.049 0.000 0.868 404 K CB 1.164 33.639 32.500 -0.041 0.000 1.083 404 K HN -0.139 nan 8.250 nan 0.000 0.443 405 P HA 0.001 nan 4.420 nan 0.000 0.268 405 P C -0.647 176.590 177.300 -0.104 0.000 1.205 405 P CA -0.362 62.692 63.100 -0.077 0.000 0.771 405 P CB 0.539 32.224 31.700 -0.026 0.000 0.858 406 V N 2.948 122.761 119.914 -0.168 0.000 2.583 406 V HA 0.213 4.333 4.120 0.001 0.000 0.287 406 V C 0.942 176.982 176.094 -0.091 0.000 1.051 406 V CA 0.113 62.301 62.300 -0.188 0.000 1.010 406 V CB 0.787 32.386 31.823 -0.374 0.000 0.988 406 V HN 0.718 nan 8.190 nan 0.000 0.478 407 S N 4.316 119.979 115.700 -0.062 0.000 2.713 407 S HA 0.442 4.912 4.470 0.001 0.000 0.283 407 S C 0.670 175.227 174.600 -0.073 0.000 1.161 407 S CA -0.613 57.558 58.200 -0.049 0.000 0.999 407 S CB 1.400 64.570 63.200 -0.050 0.000 1.039 407 S HN 0.503 nan 8.310 nan 0.000 0.548 408 L N 1.743 122.885 121.223 -0.136 0.000 2.093 408 L HA 0.196 4.537 4.340 0.001 0.000 0.208 408 L C 2.283 179.020 176.870 -0.223 0.000 1.085 408 L CA 2.364 57.060 54.840 -0.240 0.000 0.755 408 L CB -1.398 40.355 42.059 -0.511 0.000 0.904 408 L HN 0.984 nan 8.230 nan 0.000 0.435 409 G N -1.526 107.146 108.800 -0.212 0.000 2.402 409 G HA2 -0.260 3.701 3.960 0.001 0.000 0.216 409 G HA3 -0.260 3.701 3.960 0.001 0.000 0.216 409 G C 1.466 176.285 174.900 -0.135 0.000 1.162 409 G CA 0.678 45.646 45.100 -0.219 0.000 0.777 409 G HN 0.498 nan 8.290 nan 0.000 0.539 410 Q N 0.122 119.881 119.800 -0.068 0.000 2.050 410 Q HA -0.034 4.306 4.340 0.001 0.000 0.202 410 Q C 3.043 179.079 176.000 0.061 0.000 0.980 410 Q CA 1.330 57.137 55.803 0.006 0.000 0.840 410 Q CB -0.276 28.481 28.738 0.032 0.000 0.898 410 Q HN 0.472 nan 8.270 nan 0.000 0.424 411 A N 0.754 123.616 122.820 0.070 0.000 1.877 411 A HA -0.178 4.143 4.320 0.001 0.000 0.216 411 A C 2.065 179.664 177.584 0.025 0.000 1.186 411 A CA 1.175 53.280 52.037 0.113 0.000 0.620 411 A CB -0.737 18.327 19.000 0.108 0.000 0.822 411 A HN 0.303 nan 8.150 nan 0.000 0.443 412 L N -0.923 120.272 121.223 -0.045 0.000 2.046 412 L HA -0.210 4.131 4.340 0.001 0.000 0.208 412 L C 2.673 179.526 176.870 -0.029 0.000 1.077 412 L CA 1.808 56.612 54.840 -0.060 0.000 0.747 412 L CB -0.403 41.526 42.059 -0.217 0.000 0.896 412 L HN 0.575 nan 8.230 nan 0.000 0.432 413 E N -0.182 119.988 120.200 -0.049 0.000 2.051 413 E HA -0.211 4.140 4.350 0.001 0.000 0.192 413 E C 2.252 178.850 176.600 -0.003 0.000 0.991 413 E CA 1.545 57.934 56.400 -0.018 0.000 0.799 413 E CB 0.102 29.789 29.700 -0.022 0.000 0.748 413 E HN 0.234 nan 8.360 nan 0.000 0.449 414 V N 0.520 120.428 119.914 -0.010 0.000 2.287 414 V HA -0.266 3.854 4.120 0.001 0.000 0.248 414 V C 2.423 178.477 176.094 -0.066 0.000 1.053 414 V CA 1.557 63.827 62.300 -0.050 0.000 1.027 414 V CB -0.343 31.416 31.823 -0.106 0.000 0.646 414 V HN 0.211 nan 8.190 nan 0.000 0.447 415 V N -0.270 119.617 119.914 -0.045 0.000 2.343 415 V HA -0.274 3.846 4.120 0.001 0.000 0.247 415 V C 2.167 178.218 176.094 -0.071 0.000 1.051 415 V CA 2.261 64.531 62.300 -0.050 0.000 1.036 415 V CB -0.519 31.302 31.823 -0.004 0.000 0.654 415 V HN 0.444 nan 8.190 nan 0.000 0.451 416 I N -0.439 120.128 120.570 -0.004 0.000 2.179 416 I HA -0.317 3.853 4.170 0.001 0.000 0.242 416 I C 2.709 178.786 176.117 -0.066 0.000 1.088 416 I CA 1.654 62.967 61.300 0.022 0.000 1.357 416 I CB -0.352 37.756 38.000 0.181 0.000 1.051 416 I HN 0.361 nan 8.210 nan 0.000 0.409 417 Q N 0.027 119.809 119.800 -0.031 0.000 2.084 417 Q HA -0.219 4.121 4.340 0.001 0.000 0.202 417 Q C 2.210 178.167 176.000 -0.071 0.000 0.978 417 Q CA 1.372 57.157 55.803 -0.032 0.000 0.844 417 Q CB -0.126 28.602 28.738 -0.018 0.000 0.898 417 Q HN 0.340 nan 8.270 nan 0.000 0.426 418 L N 0.503 121.667 121.223 -0.098 0.000 2.201 418 L HA -0.181 4.160 4.340 0.001 0.000 0.212 418 L C 2.155 178.941 176.870 -0.140 0.000 1.105 418 L CA 1.488 56.267 54.840 -0.101 0.000 0.775 418 L CB -0.299 41.697 42.059 -0.104 0.000 0.913 418 L HN 0.176 nan 8.230 nan 0.000 0.440 419 Q N -0.644 118.985 119.800 -0.285 0.000 2.187 419 Q HA -0.109 4.231 4.340 0.001 0.000 0.199 419 Q C 2.094 177.889 176.000 -0.342 0.000 0.957 419 Q CA 0.954 56.459 55.803 -0.495 0.000 0.857 419 Q CB -0.064 27.930 28.738 -1.240 0.000 0.929 419 Q HN 0.574 nan 8.270 nan 0.000 0.453 420 E N 0.721 120.791 120.200 -0.216 0.000 2.107 420 E HA -0.136 4.214 4.350 0.001 0.000 0.191 420 E C 1.921 178.524 176.600 0.004 0.000 0.982 420 E CA 0.669 57.056 56.400 -0.021 0.000 0.809 420 E CB 0.056 29.778 29.700 0.036 0.000 0.756 420 E HN 0.210 nan 8.360 nan 0.000 0.459 421 K N 0.637 121.029 120.400 -0.014 0.000 2.026 421 K HA -0.227 4.093 4.320 0.001 0.000 0.208 421 K C 2.318 178.932 176.600 0.024 0.000 1.048 421 K CA 1.403 57.694 56.287 0.006 0.000 0.929 421 K CB -0.183 32.315 32.500 -0.003 0.000 0.713 421 K HN 0.211 nan 8.250 nan 0.000 0.439 422 H N 0.316 119.351 119.070 -0.059 0.000 2.353 422 H HA -0.092 4.464 4.556 0.000 0.000 0.300 422 H C 1.938 177.260 175.328 -0.011 0.000 1.090 422 H CA 1.700 57.723 56.048 -0.042 0.000 1.327 422 H CB 0.094 29.815 29.762 -0.069 0.000 1.383 422 H HN 0.066 nan 8.280 nan 0.000 0.508 423 V N 1.465 121.381 119.914 0.003 0.000 2.332 423 V HA -0.247 3.873 4.120 0.001 0.000 0.248 423 V C 2.562 178.636 176.094 -0.033 0.000 1.055 423 V CA 2.079 64.378 62.300 -0.002 0.000 1.038 423 V CB -0.357 31.530 31.823 0.107 0.000 0.651 423 V HN 0.388 nan 8.190 nan 0.000 0.450 424 K N -0.509 119.887 120.400 -0.008 0.000 2.062 424 K HA -0.135 4.186 4.320 0.001 0.000 0.205 424 K C 1.892 178.490 176.600 -0.003 0.000 1.051 424 K CA 1.440 57.738 56.287 0.018 0.000 0.941 424 K CB -0.317 32.199 32.500 0.027 0.000 0.719 424 K HN 0.355 nan 8.250 nan 0.000 0.440 425 D N 1.018 121.380 120.400 -0.063 0.000 2.265 425 D HA -0.138 4.502 4.640 0.001 0.000 0.208 425 D C 1.695 177.941 176.300 -0.089 0.000 0.977 425 D CA 1.019 54.983 54.000 -0.060 0.000 0.871 425 D CB 0.115 40.883 40.800 -0.054 0.000 0.925 425 D HN 0.178 nan 8.370 nan 0.000 0.485 426 E N -0.074 120.000 120.200 -0.209 0.000 2.140 426 E HA -0.025 4.325 4.350 0.001 0.000 0.191 426 E C 2.021 178.588 176.600 -0.054 0.000 0.973 426 E CA 0.249 56.538 56.400 -0.185 0.000 0.829 426 E CB -0.054 29.469 29.700 -0.296 0.000 0.781 426 E HN 0.437 nan 8.360 nan 0.000 0.466 427 Q N 0.486 120.297 119.800 0.019 0.000 2.084 427 Q HA -0.084 4.256 4.340 0.001 0.000 0.202 427 Q C 2.335 178.560 176.000 0.375 0.000 0.978 427 Q CA 1.003 56.917 55.803 0.185 0.000 0.844 427 Q CB -0.038 28.861 28.738 0.268 0.000 0.898 427 Q HN 0.261 nan 8.270 nan 0.000 0.426 428 I N 0.477 121.204 120.570 0.262 0.000 2.179 428 I HA -0.286 3.885 4.170 0.001 0.000 0.242 428 I C 2.462 178.691 176.117 0.187 0.000 1.088 428 I CA 1.235 62.693 61.300 0.263 0.000 1.357 428 I CB -0.273 37.802 38.000 0.125 0.000 1.051 428 I HN 0.308 nan 8.210 nan 0.000 0.409 429 E N 0.478 120.726 120.200 0.079 0.000 2.085 429 E HA -0.331 4.019 4.350 0.001 0.000 0.194 429 E C 2.247 178.840 176.600 -0.011 0.000 0.994 429 E CA 1.357 57.773 56.400 0.027 0.000 0.801 429 E CB -0.218 29.479 29.700 -0.005 0.000 0.743 429 E HN 0.518 nan 8.360 nan 0.000 0.453 430 H N -1.545 117.414 119.070 -0.186 0.000 2.518 430 H HA -0.137 4.420 4.556 0.001 0.000 0.289 430 H C 0.735 175.783 175.328 -0.465 0.000 1.051 430 H CA 1.349 57.164 56.048 -0.388 0.000 1.280 430 H CB -0.001 29.408 29.762 -0.589 0.000 1.380 430 H HN 0.356 nan 8.280 nan 0.000 0.566 431 W N 0.328 121.586 121.300 -0.070 0.000 2.993 431 W HA 0.210 4.870 4.660 0.000 0.000 0.290 431 W C 2.363 178.830 176.519 -0.087 0.000 1.203 431 W CA -0.481 56.799 57.345 -0.108 0.000 1.582 431 W CB 0.538 29.984 29.460 -0.023 0.000 1.033 431 W HN -0.076 nan 8.180 nan 0.000 0.594 432 K N 0.801 121.292 120.400 0.151 0.000 2.305 432 K HA -0.010 4.310 4.320 0.001 0.000 0.199 432 K C 1.592 178.194 176.600 0.003 0.000 1.047 432 K CA 0.753 57.087 56.287 0.078 0.000 0.976 432 K CB 0.071 32.608 32.500 0.062 0.000 0.765 432 K HN 0.118 nan 8.250 nan 0.000 0.474 433 K N 0.630 120.988 120.400 -0.070 0.000 2.167 433 K HA 0.030 4.350 4.320 0.001 0.000 0.203 433 K C 1.986 178.523 176.600 -0.105 0.000 1.052 433 K CA 0.721 56.948 56.287 -0.100 0.000 0.956 433 K CB 0.099 32.509 32.500 -0.150 0.000 0.735 433 K HN 0.071 nan 8.250 nan 0.000 0.451 434 I N 1.094 121.583 120.570 -0.135 0.000 2.202 434 I HA -0.248 3.922 4.170 0.001 0.000 0.242 434 I C 2.378 178.496 176.117 0.001 0.000 1.091 434 I CA 1.100 62.355 61.300 -0.076 0.000 1.368 434 I CB -0.429 37.552 38.000 -0.032 0.000 1.058 434 I HN 0.001 nan 8.210 nan 0.000 0.410 435 V N -0.917 119.019 119.914 0.037 0.000 2.490 435 V HA -0.260 3.860 4.120 0.001 0.000 0.250 435 V C 2.419 178.519 176.094 0.011 0.000 1.061 435 V CA 1.815 64.135 62.300 0.033 0.000 1.064 435 V CB -0.908 30.941 31.823 0.044 0.000 0.670 435 V HN 0.391 nan 8.190 nan 0.000 0.461 436 K N 0.456 120.857 120.400 0.000 0.000 2.057 436 K HA -0.139 4.181 4.320 0.001 0.000 0.206 436 K C 2.199 178.792 176.600 -0.011 0.000 1.050 436 K CA 2.034 58.318 56.287 -0.006 0.000 0.935 436 K CB -0.360 32.133 32.500 -0.012 0.000 0.715 436 K HN 0.604 nan 8.250 nan 0.000 0.439 437 T N 0.613 115.156 114.554 -0.019 0.000 2.904 437 T HA -0.121 4.229 4.350 0.001 0.000 0.267 437 T C 1.716 176.409 174.700 -0.013 0.000 1.059 437 T CA 1.111 63.199 62.100 -0.020 0.000 1.137 437 T CB -0.109 68.740 68.868 -0.031 0.000 0.879 437 T HN 0.246 nan 8.240 nan 0.000 0.467 438 Q N 1.162 120.959 119.800 -0.005 0.000 2.124 438 Q HA -0.042 4.298 4.340 0.001 0.000 0.202 438 Q C 2.078 178.078 176.000 -0.000 0.000 0.977 438 Q CA 1.400 57.204 55.803 0.002 0.000 0.850 438 Q CB -0.078 28.668 28.738 0.014 0.000 0.901 438 Q HN 0.550 nan 8.270 nan 0.000 0.429 439 E N -0.515 119.684 120.200 -0.001 0.000 2.285 439 E HA -0.113 4.237 4.350 0.001 0.000 0.194 439 E C 1.594 178.191 176.600 -0.005 0.000 0.997 439 E CA 0.434 56.833 56.400 -0.002 0.000 0.845 439 E CB 0.150 29.850 29.700 0.000 0.000 0.782 439 E HN 0.453 nan 8.360 nan 0.000 0.491 440 E N 0.428 120.623 120.200 -0.008 0.000 2.152 440 E HA -0.143 4.208 4.350 0.001 0.000 0.192 440 E C 1.990 178.581 176.600 -0.015 0.000 0.983 440 E CA 0.327 56.720 56.400 -0.012 0.000 0.818 440 E CB 0.139 29.830 29.700 -0.015 0.000 0.758 440 E HN 0.097 nan 8.360 nan 0.000 0.467 441 L N 1.452 122.666 121.223 -0.014 0.000 2.109 441 L HA -0.112 4.228 4.340 0.001 0.000 0.207 441 L C 2.200 179.062 176.870 -0.013 0.000 1.086 441 L CA 1.603 56.434 54.840 -0.016 0.000 0.760 441 L CB -0.147 41.904 42.059 -0.013 0.000 0.910 441 L HN -0.118 nan 8.230 nan 0.000 0.437 442 K N -0.442 119.954 120.400 -0.007 0.000 2.026 442 K HA -0.217 4.104 4.320 0.001 0.000 0.208 442 K C 2.003 178.600 176.600 -0.005 0.000 1.048 442 K CA 1.890 58.174 56.287 -0.004 0.000 0.929 442 K CB -0.093 32.407 32.500 -0.002 0.000 0.713 442 K HN 0.427 nan 8.250 nan 0.000 0.439 443 E N 0.381 120.577 120.200 -0.006 0.000 2.077 443 E HA -0.199 4.152 4.350 0.001 0.000 0.193 443 E C 2.058 178.652 176.600 -0.010 0.000 0.989 443 E CA 0.959 57.355 56.400 -0.006 0.000 0.800 443 E CB -0.015 29.681 29.700 -0.006 0.000 0.746 443 E HN 0.179 nan 8.360 nan 0.000 0.452 444 L N 0.737 121.949 121.223 -0.018 0.000 2.056 444 L HA -0.150 4.190 4.340 0.001 0.000 0.207 444 L C 2.104 178.955 176.870 -0.031 0.000 1.078 444 L CA 1.237 56.060 54.840 -0.029 0.000 0.749 444 L CB -0.092 41.943 42.059 -0.040 0.000 0.901 444 L HN 0.120 nan 8.230 nan 0.000 0.433 445 L N -0.726 120.484 121.223 -0.022 0.000 2.093 445 L HA -0.197 4.143 4.340 0.001 0.000 0.208 445 L C 2.261 179.134 176.870 0.005 0.000 1.085 445 L CA 0.948 55.780 54.840 -0.012 0.000 0.755 445 L CB -0.700 41.355 42.059 -0.006 0.000 0.904 445 L HN 0.362 nan 8.230 nan 0.000 0.435 446 N N 0.241 118.944 118.700 0.005 0.000 2.188 446 N HA -0.195 4.546 4.740 0.001 0.000 0.184 446 N C 1.799 177.320 175.510 0.018 0.000 1.018 446 N CA 1.161 54.218 53.050 0.012 0.000 0.858 446 N CB -0.008 38.484 38.487 0.008 0.000 0.989 446 N HN 0.301 nan 8.380 nan 0.000 0.426 447 K N 0.490 120.897 120.400 0.011 0.000 2.057 447 K HA 0.048 4.368 4.320 0.001 0.000 0.206 447 K C 2.116 178.739 176.600 0.038 0.000 1.050 447 K CA 0.848 57.145 56.287 0.017 0.000 0.935 447 K CB 0.046 32.547 32.500 0.002 0.000 0.715 447 K HN 0.053 nan 8.250 nan 0.000 0.439 448 M N -0.028 119.588 119.600 0.028 0.000 2.117 448 M HA -0.167 4.313 4.480 0.001 0.000 0.262 448 M C 2.058 178.461 176.300 0.172 0.000 1.065 448 M CA 1.189 56.537 55.300 0.080 0.000 1.114 448 M CB 0.002 32.581 32.600 -0.035 0.000 1.361 448 M HN 0.002 nan 8.290 nan 0.000 0.408 449 V N 0.944 120.917 119.914 0.098 0.000 2.343 449 V HA -0.262 3.858 4.120 0.001 0.000 0.247 449 V C 1.930 178.061 176.094 0.063 0.000 1.051 449 V CA 1.714 64.062 62.300 0.080 0.000 1.036 449 V CB -0.773 31.078 31.823 0.047 0.000 0.654 449 V HN 0.480 nan 8.190 nan 0.000 0.451 450 N N -0.127 118.604 118.700 0.053 0.000 2.244 450 N HA -0.093 4.647 4.740 0.001 0.000 0.183 450 N C 1.588 177.125 175.510 0.046 0.000 1.016 450 N CA 0.953 54.026 53.050 0.039 0.000 0.866 450 N CB -0.317 38.189 38.487 0.031 0.000 0.980 450 N HN 0.350 nan 8.380 nan 0.000 0.430 451 L N 1.689 122.958 121.223 0.076 0.000 2.109 451 L HA 0.012 4.352 4.340 0.001 0.000 0.207 451 L C 2.094 178.993 176.870 0.049 0.000 1.086 451 L CA 1.564 56.456 54.840 0.087 0.000 0.760 451 L CB -0.419 41.734 42.059 0.156 0.000 0.910 451 L HN -0.003 nan 8.230 nan 0.000 0.437 452 K N -0.808 119.622 120.400 0.049 0.000 2.148 452 K HA -0.160 4.161 4.320 0.001 0.000 0.204 452 K C 1.816 178.383 176.600 -0.055 0.000 1.050 452 K CA 1.140 57.383 56.287 -0.073 0.000 0.942 452 K CB 0.093 32.567 32.500 -0.044 0.000 0.724 452 K HN 0.349 nan 8.250 nan 0.000 0.446 453 E N 0.968 121.161 120.200 -0.011 0.000 2.047 453 E HA -0.156 4.194 4.350 0.001 0.000 0.191 453 E C 1.904 178.500 176.600 -0.007 0.000 0.987 453 E CA 1.152 57.548 56.400 -0.007 0.000 0.799 453 E CB 0.003 29.707 29.700 0.006 0.000 0.752 453 E HN 0.329 nan 8.360 nan 0.000 0.449 454 K N 0.429 120.829 120.400 0.000 0.000 2.147 454 K HA -0.045 4.275 4.320 0.001 0.000 0.205 454 K C 2.303 178.900 176.600 -0.005 0.000 1.049 454 K CA 0.739 57.028 56.287 0.004 0.000 0.936 454 K CB -0.107 32.401 32.500 0.012 0.000 0.722 454 K HN 0.119 nan 8.250 nan 0.000 0.446 455 I N 1.227 121.780 120.570 -0.029 0.000 2.315 455 I HA -0.255 3.916 4.170 0.001 0.000 0.248 455 I C 2.578 178.676 176.117 -0.030 0.000 1.117 455 I CA 1.066 62.336 61.300 -0.051 0.000 1.404 455 I CB -0.120 37.806 38.000 -0.123 0.000 1.071 455 I HN 0.139 nan 8.210 nan 0.000 0.419 456 K N 1.122 121.499 120.400 -0.039 0.000 2.057 456 K HA -0.268 4.052 4.320 0.001 0.000 0.207 456 K C 2.063 178.688 176.600 0.041 0.000 1.049 456 K CA 1.832 58.111 56.287 -0.014 0.000 0.931 456 K CB -0.025 32.457 32.500 -0.030 0.000 0.714 456 K HN 0.235 nan 8.250 nan 0.000 0.440 457 E N 0.551 120.766 120.200 0.025 0.000 2.072 457 E HA -0.160 4.190 4.350 0.001 0.000 0.191 457 E C 2.068 178.692 176.600 0.040 0.000 0.985 457 E CA 0.960 57.378 56.400 0.030 0.000 0.801 457 E CB -0.026 29.685 29.700 0.018 0.000 0.750 457 E HN 0.306 nan 8.360 nan 0.000 0.452 458 L N -0.133 121.114 121.223 0.039 0.000 2.141 458 L HA -0.167 4.173 4.340 0.001 0.000 0.209 458 L C 2.512 179.424 176.870 0.070 0.000 1.094 458 L CA 1.435 56.300 54.840 0.041 0.000 0.763 458 L CB -0.360 41.710 42.059 0.018 0.000 0.908 458 L HN 0.345 nan 8.230 nan 0.000 0.437 459 H N -0.576 118.486 119.070 -0.013 0.000 2.387 459 H HA -0.234 4.322 4.556 0.001 0.000 0.299 459 H C 2.258 177.622 175.328 0.061 0.000 1.090 459 H CA 1.844 57.893 56.048 0.002 0.000 1.332 459 H CB 0.244 29.980 29.762 -0.044 0.000 1.386 459 H HN 0.162 nan 8.280 nan 0.000 0.516 460 Q N 0.368 120.208 119.800 0.068 0.000 2.119 460 Q HA -0.113 4.228 4.340 0.001 0.000 0.201 460 Q C 2.250 178.236 176.000 -0.023 0.000 0.972 460 Q CA 1.681 57.492 55.803 0.013 0.000 0.847 460 Q CB 0.001 28.765 28.738 0.042 0.000 0.903 460 Q HN 0.641 nan 8.270 nan 0.000 0.433 461 Q N -1.490 118.311 119.800 0.002 0.000 2.119 461 Q HA -0.164 4.176 4.340 0.001 0.000 0.201 461 Q C 1.714 177.701 176.000 -0.022 0.000 0.972 461 Q CA 1.438 57.237 55.803 -0.006 0.000 0.847 461 Q CB -0.223 28.522 28.738 0.012 0.000 0.903 461 Q HN 0.543 nan 8.270 nan 0.000 0.433 462 Y N 1.331 121.551 120.300 -0.133 0.000 2.163 462 Y HA -0.257 4.293 4.550 0.001 0.000 0.288 462 Y C 2.161 177.956 175.900 -0.176 0.000 1.136 462 Y CA 1.614 59.619 58.100 -0.158 0.000 1.147 462 Y CB 0.133 38.470 38.460 -0.205 0.000 0.987 462 Y HN -0.142 nan 8.280 nan 0.000 0.509 463 K N 0.718 120.995 120.400 -0.205 0.000 2.063 463 K HA -0.187 4.133 4.320 0.001 0.000 0.208 463 K C 1.966 178.434 176.600 -0.221 0.000 1.048 463 K CA 2.130 58.267 56.287 -0.250 0.000 0.928 463 K CB -0.210 32.177 32.500 -0.188 0.000 0.713 463 K HN 0.499 nan 8.250 nan 0.000 0.442 464 E N -0.844 119.264 120.200 -0.154 0.000 2.110 464 E HA -0.152 4.198 4.350 0.001 0.000 0.193 464 E C 1.820 178.336 176.600 -0.139 0.000 0.988 464 E CA 1.028 57.359 56.400 -0.114 0.000 0.804 464 E CB -0.083 29.574 29.700 -0.071 0.000 0.745 464 E HN 0.402 nan 8.360 nan 0.000 0.458 465 A N 0.566 123.274 122.820 -0.188 0.000 1.968 465 A HA -0.089 4.231 4.320 0.001 0.000 0.217 465 A C 2.222 179.658 177.584 -0.247 0.000 1.169 465 A CA 1.121 53.044 52.037 -0.190 0.000 0.638 465 A CB -0.109 18.781 19.000 -0.184 0.000 0.812 465 A HN 0.095 nan 8.150 nan 0.000 0.446 466 S N -0.026 115.444 115.700 -0.384 0.000 2.428 466 S HA -0.098 4.373 4.470 0.001 0.000 0.230 466 S C 1.596 176.079 174.600 -0.195 0.000 1.014 466 S CA 1.075 59.059 58.200 -0.361 0.000 0.957 466 S CB -0.199 62.686 63.200 -0.524 0.000 0.784 466 S HN 0.705 nan 8.310 nan 0.000 0.499 467 E N 1.099 121.202 120.200 -0.160 0.000 2.204 467 E HA -0.066 4.284 4.350 0.001 0.000 0.195 467 E C 0.004 176.559 176.600 -0.076 0.000 0.990 467 E CA 0.545 56.885 56.400 -0.099 0.000 0.821 467 E CB -0.128 29.523 29.700 -0.082 0.000 0.750 467 E HN 0.234 nan 8.360 nan 0.000 0.477 468 V N 4.018 123.883 119.914 -0.081 0.000 2.359 468 V HA -0.035 4.085 4.120 0.001 0.000 0.248 468 V C 0.290 176.354 176.094 -0.050 0.000 1.091 468 V CA 0.134 62.400 62.300 -0.056 0.000 1.103 468 V CB -0.451 31.341 31.823 -0.051 0.000 1.176 468 V HN 0.077 nan 8.190 nan 0.000 0.488 469 K N 5.476 125.853 120.400 -0.039 0.000 2.451 469 K HA 0.213 4.533 4.320 0.001 0.000 0.280 469 K C -2.102 174.485 176.600 -0.022 0.000 1.020 469 K CA -1.728 54.541 56.287 -0.030 0.000 1.008 469 K CB 0.042 32.528 32.500 -0.024 0.000 0.917 469 K HN 0.326 nan 8.250 nan 0.000 0.478 470 P HA 0.044 nan 4.420 nan 0.000 0.267 470 P C -2.050 175.246 177.300 -0.007 0.000 1.201 470 P CA -0.656 62.438 63.100 -0.010 0.000 0.775 470 P CB -0.274 31.422 31.700 -0.007 0.000 0.854 471 P HA 0.270 nan 4.420 nan 0.000 0.274 471 P C -0.727 176.571 177.300 -0.002 0.000 1.231 471 P CA -0.179 62.920 63.100 -0.002 0.000 0.790 471 P CB 0.967 32.667 31.700 0.000 0.000 0.951 472 R N -0.079 120.422 120.500 0.001 0.000 2.740 472 R HA 0.446 4.787 4.340 0.001 0.000 0.273 472 R C -0.960 175.346 176.300 0.010 0.000 0.998 472 R CA -1.008 55.094 56.100 0.003 0.000 0.900 472 R CB 0.701 31.001 30.300 -0.001 0.000 1.223 472 R HN 0.383 nan 8.270 nan 0.000 0.466 473 D N 0.732 121.139 120.400 0.012 0.000 2.378 473 D HA -0.023 4.618 4.640 0.001 0.000 0.238 473 D C 0.888 177.207 176.300 0.030 0.000 1.180 473 D CA -0.618 53.393 54.000 0.017 0.000 0.895 473 D CB 0.735 41.544 40.800 0.015 0.000 1.192 473 D HN 0.497 nan 8.370 nan 0.000 0.438 474 I N 0.567 121.156 120.570 0.033 0.000 2.567 474 I HA -0.230 3.941 4.170 0.001 0.000 0.257 474 I C 2.013 178.185 176.117 0.092 0.000 1.184 474 I CA 1.596 62.927 61.300 0.053 0.000 1.451 474 I CB -0.579 37.442 38.000 0.035 0.000 1.089 474 I HN 0.708 nan 8.210 nan 0.000 0.441 475 T N -1.655 112.943 114.554 0.074 0.000 2.857 475 T HA -0.023 4.328 4.350 0.001 0.000 0.266 475 T C 1.987 176.770 174.700 0.138 0.000 1.048 475 T CA 0.882 63.049 62.100 0.111 0.000 1.139 475 T CB -0.797 68.108 68.868 0.063 0.000 0.874 475 T HN 0.304 nan 8.240 nan 0.000 0.455 476 A N 1.558 124.424 122.820 0.078 0.000 1.929 476 A HA 0.038 4.359 4.320 0.001 0.000 0.216 476 A C 2.269 179.880 177.584 0.045 0.000 1.176 476 A CA 1.593 53.657 52.037 0.046 0.000 0.628 476 A CB -0.648 18.362 19.000 0.017 0.000 0.816 476 A HN 0.503 nan 8.150 nan 0.000 0.444 477 E N -0.929 119.311 120.200 0.067 0.000 2.152 477 E HA -0.118 4.232 4.350 0.001 0.000 0.192 477 E C 1.536 178.197 176.600 0.102 0.000 0.983 477 E CA 1.038 57.476 56.400 0.064 0.000 0.818 477 E CB -0.387 29.351 29.700 0.064 0.000 0.758 477 E HN 0.549 nan 8.360 nan 0.000 0.467 478 F N 0.427 120.384 119.950 0.011 0.000 2.102 478 F HA 0.008 4.535 4.527 0.001 0.000 0.298 478 F C 0.882 176.700 175.800 0.030 0.000 1.105 478 F CA 0.565 58.576 58.000 0.018 0.000 1.239 478 F CB -0.362 38.647 39.000 0.014 0.000 0.991 478 F HN 0.071 nan 8.300 nan 0.000 0.474 479 L N -0.410 120.765 121.223 -0.079 0.000 2.468 479 L HA 0.179 4.520 4.340 0.001 0.000 0.253 479 L C 1.332 178.132 176.870 -0.116 0.000 1.237 479 L CA 0.844 55.590 54.840 -0.157 0.000 0.823 479 L CB 0.712 42.755 42.059 -0.027 0.000 1.124 479 L HN 0.291 nan 8.230 nan 0.000 0.504 480 V N -1.274 118.596 119.914 -0.073 0.000 0.582 480 V HA -0.507 3.613 4.120 0.001 0.000 0.092 480 V C 2.028 178.214 176.094 0.154 0.000 1.874 480 V CA 2.083 64.382 62.300 -0.002 0.000 3.418 480 V CB -1.634 30.138 31.823 -0.085 0.000 0.707 480 V HN 0.922 nan 8.190 nan 0.000 0.732 481 K N -0.188 120.233 120.400 0.034 0.000 2.057 481 K HA -0.112 4.208 4.320 0.001 0.000 0.206 481 K C 2.260 178.818 176.600 -0.069 0.000 1.050 481 K CA 1.677 57.978 56.287 0.022 0.000 0.935 481 K CB -0.273 32.214 32.500 -0.022 0.000 0.715 481 K HN 0.664 nan 8.250 nan 0.000 0.439 482 S N 0.883 116.405 115.700 -0.298 0.000 2.402 482 S HA -0.075 4.395 4.470 0.001 0.000 0.229 482 S C 1.741 176.238 174.600 -0.173 0.000 1.021 482 S CA 1.102 59.041 58.200 -0.436 0.000 0.974 482 S CB 0.098 62.632 63.200 -1.111 0.000 0.800 482 S HN 0.118 nan 8.310 nan 0.000 0.484 483 K N 0.411 120.771 120.400 -0.068 0.000 2.228 483 K HA 0.023 4.344 4.320 0.001 0.000 0.202 483 K C 1.992 178.629 176.600 0.062 0.000 1.051 483 K CA 0.698 57.004 56.287 0.031 0.000 0.960 483 K CB -0.745 31.817 32.500 0.104 0.000 0.743 483 K HN 0.534 nan 8.250 nan 0.000 0.458 484 H N 1.763 120.839 119.070 0.009 0.000 2.321 484 H HA -0.025 4.531 4.556 0.001 0.000 0.300 484 H C 2.086 177.353 175.328 -0.102 0.000 1.087 484 H CA 1.441 57.421 56.048 -0.113 0.000 1.319 484 H CB 0.271 30.018 29.762 -0.024 0.000 1.379 484 H HN 0.042 nan 8.280 nan 0.000 0.501 485 R N 0.437 121.016 120.500 0.132 0.000 2.081 485 R HA -0.116 4.224 4.340 0.001 0.000 0.235 485 R C 1.499 177.818 176.300 0.031 0.000 1.131 485 R CA 1.747 57.883 56.100 0.060 0.000 0.960 485 R CB -0.036 30.269 30.300 0.009 0.000 0.856 485 R HN 0.327 nan 8.270 nan 0.000 0.436 486 D N 0.678 121.083 120.400 0.009 0.000 2.144 486 D HA -0.155 4.486 4.640 0.001 0.000 0.200 486 D C 1.778 178.072 176.300 -0.010 0.000 0.978 486 D CA 0.651 54.652 54.000 0.000 0.000 0.833 486 D CB -0.165 40.632 40.800 -0.005 0.000 0.961 486 D HN 0.158 nan 8.370 nan 0.000 0.470 487 L N 0.662 121.862 121.223 -0.038 0.000 2.109 487 L HA -0.054 4.286 4.340 0.001 0.000 0.207 487 L C 2.054 178.887 176.870 -0.061 0.000 1.086 487 L CA 1.628 56.422 54.840 -0.076 0.000 0.760 487 L CB -0.871 41.082 42.059 -0.177 0.000 0.910 487 L HN -0.070 nan 8.230 nan 0.000 0.437 488 T N -0.216 114.321 114.554 -0.027 0.000 2.777 488 T HA -0.101 4.249 4.350 0.001 0.000 0.266 488 T C 1.918 176.625 174.700 0.012 0.000 1.040 488 T CA 1.239 63.343 62.100 0.007 0.000 1.141 488 T CB -0.461 68.449 68.868 0.071 0.000 0.868 488 T HN 0.474 nan 8.240 nan 0.000 0.444 489 A N 1.309 124.139 122.820 0.016 0.000 1.902 489 A HA 0.044 4.365 4.320 0.001 0.000 0.217 489 A C 2.268 179.865 177.584 0.022 0.000 1.181 489 A CA 1.134 53.183 52.037 0.019 0.000 0.623 489 A CB -0.819 18.192 19.000 0.019 0.000 0.818 489 A HN 0.470 nan 8.150 nan 0.000 0.443 490 L N -1.089 120.144 121.223 0.016 0.000 2.291 490 L HA -0.168 4.172 4.340 0.001 0.000 0.214 490 L C 2.444 179.338 176.870 0.040 0.000 1.120 490 L CA 0.585 55.440 54.840 0.025 0.000 0.799 490 L CB -0.476 41.590 42.059 0.012 0.000 0.925 490 L HN 0.494 nan 8.230 nan 0.000 0.446 491 C N -0.314 118.997 119.300 0.018 0.000 2.450 491 C HA -0.096 4.365 4.460 0.001 0.000 0.279 491 C C 2.752 177.786 174.990 0.073 0.000 1.335 491 C CA 0.468 59.502 59.018 0.027 0.000 1.749 491 C CB -0.305 27.425 27.740 -0.017 0.000 1.963 491 C HN 0.379 nan 8.230 nan 0.000 0.501 492 K N 1.096 121.526 120.400 0.051 0.000 2.057 492 K HA -0.091 4.229 4.320 0.001 0.000 0.206 492 K C 1.945 178.578 176.600 0.056 0.000 1.050 492 K CA 1.247 57.562 56.287 0.047 0.000 0.935 492 K CB -0.214 32.304 32.500 0.030 0.000 0.715 492 K HN 0.513 nan 8.250 nan 0.000 0.439 493 E N -0.936 119.301 120.200 0.061 0.000 2.085 493 E HA -0.241 4.109 4.350 0.001 0.000 0.194 493 E C 1.806 178.449 176.600 0.071 0.000 0.994 493 E CA 1.325 57.758 56.400 0.055 0.000 0.801 493 E CB -0.186 29.547 29.700 0.056 0.000 0.743 493 E HN 0.351 nan 8.360 nan 0.000 0.453 494 Y N 2.021 122.314 120.300 -0.011 0.000 2.242 494 Y HA -0.205 4.346 4.550 0.001 0.000 0.291 494 Y C 1.745 177.637 175.900 -0.013 0.000 1.137 494 Y CA 1.674 59.766 58.100 -0.013 0.000 1.181 494 Y CB 0.081 38.530 38.460 -0.018 0.000 0.989 494 Y HN -0.031 nan 8.280 nan 0.000 0.527 495 D N 0.069 120.532 120.400 0.105 0.000 2.144 495 D HA -0.163 4.478 4.640 0.001 0.000 0.199 495 D C 1.892 178.166 176.300 -0.044 0.000 0.984 495 D CA 1.596 55.615 54.000 0.032 0.000 0.834 495 D CB -0.216 40.620 40.800 0.061 0.000 0.955 495 D HN 0.562 nan 8.370 nan 0.000 0.465 496 E N -0.212 119.967 120.200 -0.034 0.000 2.152 496 E HA -0.089 4.262 4.350 0.001 0.000 0.192 496 E C 1.891 178.444 176.600 -0.079 0.000 0.983 496 E CA 0.275 56.649 56.400 -0.042 0.000 0.818 496 E CB 0.106 29.794 29.700 -0.020 0.000 0.758 496 E HN 0.157 nan 8.360 nan 0.000 0.467 497 L N 0.501 121.648 121.223 -0.127 0.000 2.179 497 L HA -0.031 4.310 4.340 0.001 0.000 0.208 497 L C 2.244 178.979 176.870 -0.224 0.000 1.096 497 L CA 1.290 56.029 54.840 -0.168 0.000 0.779 497 L CB -0.527 41.414 42.059 -0.197 0.000 0.922 497 L HN 0.020 nan 8.230 nan 0.000 0.443 498 A N -1.332 121.306 122.820 -0.303 0.000 2.014 498 A HA -0.168 4.153 4.320 0.001 0.000 0.218 498 A C 2.288 179.792 177.584 -0.132 0.000 1.163 498 A CA 1.234 53.112 52.037 -0.265 0.000 0.652 498 A CB -0.370 18.452 19.000 -0.296 0.000 0.808 498 A HN 0.440 nan 8.150 nan 0.000 0.449 499 E N -0.628 119.511 120.200 -0.102 0.000 2.152 499 E HA -0.104 4.246 4.350 0.001 0.000 0.192 499 E C 1.669 178.236 176.600 -0.056 0.000 0.983 499 E CA 1.427 57.790 56.400 -0.061 0.000 0.818 499 E CB 0.035 29.709 29.700 -0.044 0.000 0.758 499 E HN 0.570 nan 8.360 nan 0.000 0.467 500 T N 0.374 114.888 114.554 -0.067 0.000 2.985 500 T HA -0.118 4.233 4.350 0.001 0.000 0.266 500 T C 1.691 176.357 174.700 -0.056 0.000 1.076 500 T CA 0.681 62.748 62.100 -0.055 0.000 1.135 500 T CB -0.025 68.809 68.868 -0.055 0.000 0.890 500 T HN 0.189 nan 8.240 nan 0.000 0.480 501 Q N 0.688 120.444 119.800 -0.073 0.000 2.119 501 Q HA -0.074 4.266 4.340 0.001 0.000 0.201 501 Q C 2.543 178.516 176.000 -0.045 0.000 0.972 501 Q CA 1.534 57.299 55.803 -0.064 0.000 0.847 501 Q CB -0.414 28.272 28.738 -0.086 0.000 0.903 501 Q HN 0.580 nan 8.270 nan 0.000 0.433 502 G N 0.673 109.446 108.800 -0.044 0.000 2.422 502 G HA2 -0.205 3.755 3.960 0.001 0.000 0.218 502 G HA3 -0.205 3.755 3.960 0.001 0.000 0.218 502 G C 1.352 176.237 174.900 -0.025 0.000 1.140 502 G CA 0.493 45.575 45.100 -0.030 0.000 0.775 502 G HN 0.252 nan 8.290 nan 0.000 0.545 503 K N -0.282 120.102 120.400 -0.027 0.000 2.062 503 K HA 0.161 4.481 4.320 0.001 0.000 0.205 503 K C 2.452 179.039 176.600 -0.022 0.000 1.051 503 K CA 0.533 56.806 56.287 -0.023 0.000 0.941 503 K CB -0.201 32.285 32.500 -0.024 0.000 0.719 503 K HN 0.248 nan 8.250 nan 0.000 0.440 504 L N 0.589 121.797 121.223 -0.025 0.000 2.109 504 L HA -0.133 4.207 4.340 0.001 0.000 0.207 504 L C 2.386 179.245 176.870 -0.019 0.000 1.086 504 L CA 1.080 55.906 54.840 -0.023 0.000 0.760 504 L CB -0.269 41.775 42.059 -0.025 0.000 0.910 504 L HN 0.221 nan 8.230 nan 0.000 0.437 505 E N 0.466 120.655 120.200 -0.019 0.000 2.085 505 E HA -0.271 4.079 4.350 0.001 0.000 0.194 505 E C 2.033 178.628 176.600 -0.009 0.000 0.994 505 E CA 1.651 58.044 56.400 -0.013 0.000 0.801 505 E CB 0.138 29.830 29.700 -0.013 0.000 0.743 505 E HN 0.608 nan 8.360 nan 0.000 0.453 506 E N 0.236 120.429 120.200 -0.011 0.000 2.216 506 E HA -0.164 4.186 4.350 0.001 0.000 0.192 506 E C 1.992 178.586 176.600 -0.011 0.000 0.988 506 E CA 0.629 57.023 56.400 -0.009 0.000 0.834 506 E CB -0.099 29.596 29.700 -0.009 0.000 0.772 506 E HN 0.021 nan 8.360 nan 0.000 0.479 507 K N 1.002 121.393 120.400 -0.015 0.000 2.148 507 K HA -0.055 4.265 4.320 0.001 0.000 0.204 507 K C 2.036 178.622 176.600 -0.023 0.000 1.050 507 K CA 0.762 57.037 56.287 -0.020 0.000 0.942 507 K CB 0.038 32.524 32.500 -0.023 0.000 0.724 507 K HN 0.219 nan 8.250 nan 0.000 0.446 508 L N 0.413 121.625 121.223 -0.018 0.000 2.179 508 L HA -0.092 4.248 4.340 0.001 0.000 0.208 508 L C 2.349 179.217 176.870 -0.004 0.000 1.096 508 L CA 0.845 55.675 54.840 -0.016 0.000 0.779 508 L CB -0.123 41.932 42.059 -0.006 0.000 0.922 508 L HN 0.222 nan 8.230 nan 0.000 0.443 509 Q N -0.471 119.329 119.800 0.001 0.000 2.230 509 Q HA -0.212 4.128 4.340 0.001 0.000 0.202 509 Q C 1.979 177.984 176.000 0.008 0.000 0.963 509 Q CA 1.076 56.884 55.803 0.009 0.000 0.866 509 Q CB 0.114 28.856 28.738 0.006 0.000 0.931 509 Q HN 0.451 nan 8.270 nan 0.000 0.452 510 E N 0.675 120.875 120.200 -0.000 0.000 2.076 510 E HA -0.139 4.211 4.350 0.001 0.000 0.190 510 E C 1.892 178.496 176.600 0.008 0.000 0.979 510 E CA 0.495 56.895 56.400 -0.000 0.000 0.807 510 E CB 0.115 29.811 29.700 -0.007 0.000 0.761 510 E HN 0.305 nan 8.360 nan 0.000 0.454 511 L N 0.703 121.925 121.223 -0.002 0.000 2.093 511 L HA -0.138 4.203 4.340 0.001 0.000 0.208 511 L C 2.316 179.228 176.870 0.070 0.000 1.085 511 L CA 1.180 56.028 54.840 0.014 0.000 0.755 511 L CB -0.230 41.753 42.059 -0.127 0.000 0.904 511 L HN 0.103 nan 8.230 nan 0.000 0.435 512 E N -0.062 120.158 120.200 0.034 0.000 2.268 512 E HA -0.131 4.220 4.350 0.001 0.000 0.195 512 E C 2.031 178.671 176.600 0.067 0.000 0.995 512 E CA 0.882 57.328 56.400 0.077 0.000 0.836 512 E CB -0.017 29.733 29.700 0.082 0.000 0.763 512 E HN 0.482 nan 8.360 nan 0.000 0.491 513 A N 0.636 123.478 122.820 0.037 0.000 2.238 513 A HA 0.060 4.380 4.320 0.001 0.000 0.210 513 A C 0.689 178.268 177.584 -0.008 0.000 1.179 513 A CA 0.052 52.099 52.037 0.018 0.000 0.827 513 A CB 0.366 19.373 19.000 0.012 0.000 0.856 513 A HN 0.032 nan 8.150 nan 0.000 0.488 514 N N 1.377 120.067 118.700 -0.016 0.000 2.886 514 N HA 0.270 5.011 4.740 0.001 0.000 0.285 514 N C -3.171 172.187 175.510 -0.253 0.000 1.706 514 N CA -0.821 52.182 53.050 -0.078 0.000 0.904 514 N CB 1.002 39.462 38.487 -0.045 0.000 1.224 514 N HN 0.199 nan 8.380 nan 0.000 0.488 515 P HA 0.328 nan 4.420 nan 0.000 0.277 515 P C -2.034 174.997 177.300 -0.448 0.000 1.240 515 P CA -0.855 61.870 63.100 -0.624 0.000 0.798 515 P CB 0.355 31.906 31.700 -0.249 0.000 0.979 516 P HA 0.139 nan 4.420 nan 0.000 0.297 516 P C -0.532 176.699 177.300 -0.115 0.000 1.303 516 P CA -0.334 62.621 63.100 -0.242 0.000 0.753 516 P CB 0.266 31.832 31.700 -0.222 0.000 1.281 517 S N 0.462 116.135 115.700 -0.046 0.000 2.549 517 S HA -0.040 4.431 4.470 0.001 0.000 0.286 517 S C 1.161 175.779 174.600 0.029 0.000 1.314 517 S CA -0.212 57.990 58.200 0.004 0.000 1.062 517 S CB 0.018 63.244 63.200 0.043 0.000 0.865 517 S HN 0.510 nan 8.310 nan 0.000 0.498 518 D N 1.378 121.801 120.400 0.039 0.000 2.123 518 D HA -0.068 4.572 4.640 0.001 0.000 0.200 518 D C 0.684 177.026 176.300 0.071 0.000 0.976 518 D CA 1.188 55.224 54.000 0.061 0.000 0.831 518 D CB 0.301 41.132 40.800 0.052 0.000 0.974 518 D HN 0.461 nan 8.370 nan 0.000 0.469 519 V N -2.427 117.529 119.914 0.071 0.000 3.130 519 V HA 0.285 4.405 4.120 0.001 0.000 0.310 519 V C 0.691 176.868 176.094 0.138 0.000 1.158 519 V CA -0.965 61.392 62.300 0.096 0.000 1.029 519 V CB 1.298 33.161 31.823 0.067 0.000 1.057 519 V HN 0.028 nan 8.190 nan 0.000 0.436 520 Y N 2.376 122.701 120.300 0.041 0.000 2.176 520 Y HA 0.484 5.034 4.550 0.001 0.000 0.291 520 Y C 0.379 176.302 175.900 0.038 0.000 1.122 520 Y CA 0.924 59.051 58.100 0.046 0.000 1.128 520 Y CB 0.259 38.752 38.460 0.055 0.000 1.005 520 Y HN 0.521 nan 8.280 nan 0.000 0.509 521 L N 0.997 122.124 121.223 -0.161 0.000 2.470 521 L HA 0.319 4.659 4.340 0.001 0.000 0.268 521 L C -0.123 176.710 176.870 -0.062 0.000 0.964 521 L CA -0.887 53.814 54.840 -0.231 0.000 0.839 521 L CB 2.023 43.875 42.059 -0.345 0.000 1.276 521 L HN 0.101 nan 8.230 nan 0.000 0.403 522 S N 0.726 116.394 115.700 -0.054 0.000 2.617 522 S HA 0.205 4.675 4.470 0.001 0.000 0.259 522 S C 1.116 175.711 174.600 -0.008 0.000 1.301 522 S CA -0.292 57.898 58.200 -0.017 0.000 0.984 522 S CB 1.398 64.587 63.200 -0.019 0.000 0.954 522 S HN 0.579 nan 8.310 nan 0.000 0.572 523 S N 0.364 116.067 115.700 0.005 0.000 2.383 523 S HA -0.123 4.347 4.470 0.001 0.000 0.229 523 S C 1.929 176.532 174.600 0.004 0.000 1.030 523 S CA 1.376 59.583 58.200 0.012 0.000 1.002 523 S CB -0.483 62.725 63.200 0.014 0.000 0.829 523 S HN 0.731 nan 8.310 nan 0.000 0.467 524 R N 0.926 121.421 120.500 -0.008 0.000 2.073 524 R HA -0.067 4.273 4.340 0.001 0.000 0.229 524 R C 1.555 177.840 176.300 -0.026 0.000 1.120 524 R CA 1.444 57.534 56.100 -0.017 0.000 0.967 524 R CB -0.133 30.153 30.300 -0.023 0.000 0.862 524 R HN 0.292 nan 8.270 nan 0.000 0.436 525 D N -0.086 120.292 120.400 -0.036 0.000 2.117 525 D HA -0.171 4.470 4.640 0.001 0.000 0.197 525 D C 1.888 178.165 176.300 -0.040 0.000 0.987 525 D CA 0.993 54.960 54.000 -0.056 0.000 0.829 525 D CB -0.148 40.596 40.800 -0.094 0.000 0.961 525 D HN 0.048 nan 8.370 nan 0.000 0.460 526 R N 1.249 121.739 120.500 -0.015 0.000 2.120 526 R HA -0.080 4.261 4.340 0.001 0.000 0.234 526 R C 2.054 178.379 176.300 0.042 0.000 1.123 526 R CA 1.309 57.425 56.100 0.026 0.000 0.975 526 R CB -0.415 29.917 30.300 0.053 0.000 0.866 526 R HN 0.213 nan 8.270 nan 0.000 0.446 527 Q N -0.504 119.312 119.800 0.026 0.000 2.079 527 Q HA -0.056 4.284 4.340 0.001 0.000 0.200 527 Q C 2.047 178.071 176.000 0.039 0.000 0.974 527 Q CA 1.818 57.640 55.803 0.032 0.000 0.840 527 Q CB -0.078 28.667 28.738 0.011 0.000 0.898 527 Q HN 0.380 nan 8.270 nan 0.000 0.430 528 I N 0.123 120.701 120.570 0.014 0.000 2.394 528 I HA -0.230 3.941 4.170 0.001 0.000 0.251 528 I C 2.112 178.287 176.117 0.097 0.000 1.136 528 I CA 0.444 61.758 61.300 0.023 0.000 1.425 528 I CB -0.087 37.898 38.000 -0.025 0.000 1.079 528 I HN 0.201 nan 8.210 nan 0.000 0.425 529 L N 0.627 121.862 121.223 0.021 0.000 2.093 529 L HA -0.177 4.164 4.340 0.001 0.000 0.208 529 L C 1.896 178.634 176.870 -0.220 0.000 1.085 529 L CA 1.902 56.674 54.840 -0.114 0.000 0.755 529 L CB -0.627 41.352 42.059 -0.134 0.000 0.904 529 L HN 0.136 nan 8.230 nan 0.000 0.435 530 D N -1.379 119.027 120.400 0.011 0.000 2.218 530 D HA -0.246 4.394 4.640 0.001 0.000 0.204 530 D C 1.736 178.054 176.300 0.030 0.000 0.976 530 D CA 1.098 55.168 54.000 0.116 0.000 0.853 530 D CB -0.221 40.654 40.800 0.125 0.000 0.939 530 D HN 0.573 nan 8.370 nan 0.000 0.481 531 W N 0.757 121.959 121.300 -0.163 0.000 2.381 531 W HA -0.158 4.502 4.660 0.000 0.000 0.301 531 W C 2.208 178.513 176.519 -0.355 0.000 1.205 531 W CA 1.503 58.715 57.345 -0.222 0.000 1.285 531 W CB -0.367 28.969 29.460 -0.207 0.000 1.133 531 W HN 0.104 nan 8.180 nan 0.000 0.521 532 H N -1.520 117.461 119.070 -0.149 0.000 2.387 532 H HA -0.138 4.418 4.556 0.001 0.000 0.299 532 H C 1.893 176.800 175.328 -0.702 0.000 1.090 532 H CA 2.397 58.061 56.048 -0.640 0.000 1.332 532 H CB -0.559 28.506 29.762 -1.162 0.000 1.386 532 H HN 0.075 nan 8.280 nan 0.000 0.516 533 F N 0.170 119.983 119.950 -0.229 0.000 2.186 533 F HA -0.031 4.496 4.527 0.001 0.000 0.299 533 F C 2.532 178.167 175.800 -0.274 0.000 1.090 533 F CA 0.812 58.745 58.000 -0.111 0.000 1.307 533 F CB -0.899 38.086 39.000 -0.026 0.000 1.019 533 F HN 0.183 nan 8.300 nan 0.000 0.489 534 A N -0.221 122.414 122.820 -0.308 0.000 1.930 534 A HA -0.210 4.110 4.320 0.001 0.000 0.217 534 A C 2.228 179.287 177.584 -0.875 0.000 1.175 534 A CA 1.689 53.318 52.037 -0.680 0.000 0.627 534 A CB -1.029 17.354 19.000 -1.028 0.000 0.815 534 A HN 0.452 nan 8.150 nan 0.000 0.443 535 N N -0.530 117.661 118.700 -0.848 0.000 2.166 535 N HA -0.146 4.594 4.740 0.001 0.000 0.186 535 N C 1.698 177.221 175.510 0.022 0.000 1.019 535 N CA 1.415 54.242 53.050 -0.371 0.000 0.856 535 N CB -0.101 38.105 38.487 -0.468 0.000 0.993 535 N HN 0.369 nan 8.380 nan 0.000 0.426 536 L N 1.692 122.913 121.223 -0.003 0.000 2.156 536 L HA -0.000 4.340 4.340 0.001 0.000 0.208 536 L C 1.843 178.736 176.870 0.037 0.000 1.095 536 L CA 1.502 56.422 54.840 0.133 0.000 0.770 536 L CB -0.289 41.931 42.059 0.268 0.000 0.914 536 L HN 0.091 nan 8.230 nan 0.000 0.439 537 E N -1.419 118.751 120.200 -0.050 0.000 2.208 537 E HA -0.214 4.136 4.350 0.001 0.000 0.193 537 E C 1.864 178.451 176.600 -0.022 0.000 0.988 537 E CA 1.095 57.439 56.400 -0.093 0.000 0.828 537 E CB -0.171 29.436 29.700 -0.155 0.000 0.763 537 E HN 0.566 nan 8.360 nan 0.000 0.478 538 F N 1.342 121.242 119.950 -0.083 0.000 2.098 538 F HA 0.004 4.532 4.527 0.001 0.000 0.294 538 F C 2.119 178.012 175.800 0.155 0.000 1.107 538 F CA 1.327 59.365 58.000 0.063 0.000 1.234 538 F CB -0.683 38.458 39.000 0.235 0.000 1.002 538 F HN -0.078 nan 8.300 nan 0.000 0.472 539 A N 0.873 123.451 122.820 -0.403 0.000 1.908 539 A HA -0.232 4.088 4.320 0.001 0.000 0.218 539 A C 1.950 179.522 177.584 -0.019 0.000 1.181 539 A CA 2.009 53.830 52.037 -0.360 0.000 0.627 539 A CB -1.030 17.942 19.000 -0.046 0.000 0.818 539 A HN 0.624 nan 8.150 nan 0.000 0.445 540 N N -0.734 117.989 118.700 0.038 0.000 2.336 540 N HA 0.210 4.951 4.740 0.001 0.000 0.189 540 N C 0.773 176.250 175.510 -0.055 0.000 1.113 540 N CA 0.823 53.937 53.050 0.106 0.000 0.858 540 N CB 0.108 38.651 38.487 0.093 0.000 0.970 540 N HN 0.595 nan 8.380 nan 0.000 0.471 541 A N 0.646 123.358 122.820 -0.180 0.000 2.748 541 A HA -0.184 4.137 4.320 0.001 0.000 0.297 541 A C 0.405 177.778 177.584 -0.352 0.000 1.508 541 A CA 1.606 53.416 52.037 -0.378 0.000 0.799 541 A CB -2.009 16.374 19.000 -1.029 0.000 1.011 541 A HN 0.326 nan 8.150 nan 0.000 0.500 542 T N -1.755 112.602 114.554 -0.329 0.000 2.957 542 T HA 0.560 4.910 4.350 0.001 0.000 0.336 542 T C -3.284 171.215 174.700 -0.334 0.000 1.462 542 T CA -0.876 60.954 62.100 -0.449 0.000 1.073 542 T CB 1.496 69.734 68.868 -1.050 0.000 1.319 542 T HN 0.001 nan 8.240 nan 0.000 0.485 543 P HA 0.192 nan 4.420 nan 0.000 0.266 543 P C 1.039 178.193 177.300 -0.245 0.000 1.195 543 P CA -0.013 62.958 63.100 -0.214 0.000 0.768 543 P CB 0.344 31.947 31.700 -0.161 0.000 0.838 544 L N 1.728 122.814 121.223 -0.228 0.000 2.353 544 L HA -0.170 4.171 4.340 0.001 0.000 0.220 544 L C 1.899 178.640 176.870 -0.215 0.000 1.133 544 L CA 1.618 56.303 54.840 -0.257 0.000 0.798 544 L CB -0.892 40.981 42.059 -0.311 0.000 0.922 544 L HN 0.439 nan 8.230 nan 0.000 0.445 545 S N -2.071 113.527 115.700 -0.170 0.000 2.561 545 S HA -0.068 4.403 4.470 0.001 0.000 0.225 545 S C 1.736 176.292 174.600 -0.074 0.000 0.977 545 S CA 0.749 58.880 58.200 -0.115 0.000 0.926 545 S CB -0.427 62.719 63.200 -0.091 0.000 0.769 545 S HN 0.565 nan 8.310 nan 0.000 0.533 546 T N -0.711 113.787 114.554 -0.093 0.000 3.014 546 T HA 0.386 4.736 4.350 0.001 0.000 0.250 546 T C 0.501 175.269 174.700 0.114 0.000 1.060 546 T CA -0.424 61.680 62.100 0.006 0.000 1.040 546 T CB -0.468 68.373 68.868 -0.046 0.000 0.971 546 T HN 0.284 nan 8.240 nan 0.000 0.497 547 L N 2.934 124.158 121.223 0.002 0.000 2.416 547 L HA 0.333 4.673 4.340 0.001 0.000 0.272 547 L C 0.774 177.719 176.870 0.125 0.000 1.161 547 L CA -0.584 54.325 54.840 0.114 0.000 0.845 547 L CB 0.899 42.948 42.059 -0.018 0.000 1.119 547 L HN 0.209 nan 8.230 nan 0.000 0.464 548 S N 2.615 118.455 115.700 0.232 0.000 2.488 548 S HA 0.057 4.527 4.470 0.001 0.000 0.278 548 S C 0.848 175.573 174.600 0.207 0.000 1.259 548 S CA -0.746 57.567 58.200 0.188 0.000 1.061 548 S CB 0.630 63.979 63.200 0.249 0.000 0.910 548 S HN 0.537 nan 8.310 nan 0.000 0.491 549 L N 6.143 127.423 121.223 0.093 0.000 2.017 549 L HA 0.032 4.372 4.340 0.001 0.000 0.208 549 L C 2.372 179.326 176.870 0.141 0.000 1.073 549 L CA 2.015 56.930 54.840 0.125 0.000 0.745 549 L CB -0.762 41.307 42.059 0.018 0.000 0.894 549 L HN 0.842 nan 8.230 nan 0.000 0.432 550 K N -1.819 118.517 120.400 -0.106 0.000 2.097 550 K HA -0.166 4.154 4.320 0.001 0.000 0.206 550 K C 1.202 177.557 176.600 -0.409 0.000 1.049 550 K CA 1.584 57.643 56.287 -0.380 0.000 0.933 550 K CB -0.059 32.051 32.500 -0.650 0.000 0.717 550 K HN 0.591 nan 8.250 nan 0.000 0.442 551 H N -1.571 117.575 119.070 0.128 0.000 3.058 551 H HA -0.009 4.547 4.556 0.001 0.000 0.266 551 H C 1.350 176.751 175.328 0.121 0.000 1.135 551 H CA 0.067 56.173 56.048 0.098 0.000 1.174 551 H CB -0.120 29.702 29.762 0.100 0.000 1.581 551 H HN 0.430 nan 8.280 nan 0.000 0.553 552 W N 3.107 124.498 121.300 0.152 0.000 2.341 552 W HA -0.136 4.524 4.660 0.000 0.000 0.283 552 W C -0.351 176.243 176.519 0.125 0.000 1.215 552 W CA 1.269 58.701 57.345 0.144 0.000 1.211 552 W CB -0.429 29.097 29.460 0.110 0.000 1.131 552 W HN 0.128 nan 8.180 nan 0.000 0.552 553 D N 1.149 121.120 120.400 -0.715 0.000 2.772 553 D HA -0.000 4.640 4.640 0.001 0.000 0.272 553 D C 1.512 177.632 176.300 -0.299 0.000 1.314 553 D CA 0.027 53.596 54.000 -0.718 0.000 0.835 553 D CB -0.467 39.586 40.800 -1.244 0.000 1.080 553 D HN 0.327 nan 8.370 nan 0.000 0.482 554 Q N 0.718 120.445 119.800 -0.121 0.000 2.291 554 Q HA -0.147 4.193 4.340 0.001 0.000 0.205 554 Q C 0.779 176.773 176.000 -0.009 0.000 0.970 554 Q CA 1.693 57.480 55.803 -0.026 0.000 0.876 554 Q CB -0.364 28.389 28.738 0.026 0.000 0.935 554 Q HN 0.253 nan 8.270 nan 0.000 0.455 555 D N -0.651 119.718 120.400 -0.053 0.000 2.368 555 D HA -0.008 4.632 4.640 0.001 0.000 0.218 555 D C 0.058 176.377 176.300 0.031 0.000 1.112 555 D CA -0.053 53.958 54.000 0.018 0.000 0.834 555 D CB 0.039 40.747 40.800 -0.153 0.000 0.953 555 D HN 0.097 nan 8.370 nan 0.000 0.505 556 D N 1.167 121.527 120.400 -0.067 0.000 2.178 556 D HA -0.120 4.521 4.640 0.001 0.000 0.201 556 D C 1.073 177.297 176.300 -0.127 0.000 0.980 556 D CA 0.880 54.820 54.000 -0.100 0.000 0.842 556 D CB -0.022 40.688 40.800 -0.150 0.000 0.948 556 D HN 0.197 nan 8.370 nan 0.000 0.472 557 D N -0.731 119.528 120.400 -0.234 0.000 2.371 557 D HA -0.071 4.569 4.640 0.001 0.000 0.221 557 D C 0.702 176.644 176.300 -0.595 0.000 0.986 557 D CA 0.382 54.117 54.000 -0.443 0.000 0.899 557 D CB -0.111 40.316 40.800 -0.622 0.000 0.902 557 D HN 0.329 nan 8.370 nan 0.000 0.530 558 F N 0.757 120.609 119.950 -0.163 0.000 2.639 558 F HA 0.227 4.754 4.527 0.001 0.000 0.302 558 F C 0.879 176.546 175.800 -0.223 0.000 1.097 558 F CA -0.510 57.378 58.000 -0.187 0.000 1.294 558 F CB 0.069 38.816 39.000 -0.421 0.000 1.027 558 F HN -0.326 nan 8.300 nan 0.000 0.550 559 E N 0.861 121.016 120.200 -0.076 0.000 2.392 559 E HA 0.104 4.454 4.350 0.001 0.000 0.264 559 E C -0.544 176.020 176.600 -0.061 0.000 1.024 559 E CA -0.242 56.071 56.400 -0.146 0.000 0.903 559 E CB 0.643 30.332 29.700 -0.017 0.000 0.963 559 E HN -0.025 nan 8.360 nan 0.000 0.432 560 F N 0.962 120.956 119.950 0.074 0.000 2.418 560 F HA 0.097 4.624 4.527 0.001 0.000 0.341 560 F C 1.289 177.159 175.800 0.116 0.000 1.120 560 F CA -0.881 57.142 58.000 0.038 0.000 1.232 560 F CB 0.472 39.432 39.000 -0.065 0.000 1.175 560 F HN 0.239 nan 8.300 nan 0.000 0.569 561 T N -0.348 114.437 114.554 0.385 0.000 2.909 561 T HA 0.720 5.070 4.350 0.001 0.000 0.289 561 T C 0.133 174.980 174.700 0.245 0.000 1.005 561 T CA 0.035 62.314 62.100 0.299 0.000 1.084 561 T CB 1.193 70.250 68.868 0.314 0.000 0.975 561 T HN 1.389 nan 8.240 nan 0.000 0.509 562 G N 1.455 110.375 108.800 0.199 0.000 2.423 562 G HA2 0.290 4.250 3.960 0.001 0.000 0.684 562 G HA3 0.290 4.250 3.960 0.001 0.000 0.684 562 G C -0.385 174.641 174.900 0.210 0.000 1.309 562 G CA -0.493 44.708 45.100 0.169 0.000 0.950 562 G HN 1.689 nan 8.290 nan 0.000 0.587 563 S N -0.399 115.410 115.700 0.181 0.000 2.586 563 S HA 0.622 5.093 4.470 0.001 0.000 0.274 563 S C 0.293 175.070 174.600 0.296 0.000 1.281 563 S CA -0.544 57.786 58.200 0.218 0.000 1.035 563 S CB 0.873 64.158 63.200 0.142 0.000 0.962 563 S HN 0.741 nan 8.310 nan 0.000 0.512 564 H N 1.068 120.211 119.070 0.121 0.000 2.707 564 H HA 0.390 4.946 4.556 0.001 0.000 0.359 564 H C -0.261 175.118 175.328 0.086 0.000 1.113 564 H CA -0.300 55.820 56.048 0.120 0.000 1.422 564 H CB 0.422 30.277 29.762 0.155 0.000 1.443 564 H HN 0.420 nan 8.280 nan 0.000 0.591 565 L N 1.059 122.365 121.223 0.138 0.000 2.257 565 L HA 0.494 4.834 4.340 0.001 0.000 0.257 565 L C 0.032 176.893 176.870 -0.014 0.000 1.033 565 L CA -0.951 53.921 54.840 0.052 0.000 0.835 565 L CB 2.248 44.312 42.059 0.008 0.000 1.398 565 L HN 0.633 nan 8.230 nan 0.000 0.429 566 T N -2.248 112.266 114.554 -0.067 0.000 2.900 566 T HA 0.608 4.958 4.350 0.001 0.000 0.295 566 T C -0.612 173.994 174.700 -0.157 0.000 1.044 566 T CA -0.762 61.253 62.100 -0.141 0.000 0.995 566 T CB 1.758 70.502 68.868 -0.206 0.000 1.072 566 T HN 0.218 nan 8.240 nan 0.000 0.473 567 V N 3.367 123.173 119.914 -0.179 0.000 2.356 567 V HA 0.308 4.428 4.120 0.001 0.000 0.258 567 V C 1.764 177.854 176.094 -0.007 0.000 1.065 567 V CA -0.494 61.723 62.300 -0.138 0.000 0.935 567 V CB 0.026 31.713 31.823 -0.227 0.000 1.061 567 V HN 0.943 nan 8.190 nan 0.000 0.484 568 R N 3.766 124.259 120.500 -0.013 0.000 2.148 568 R HA -0.068 4.272 4.340 0.001 0.000 0.227 568 R C 1.625 178.042 176.300 0.194 0.000 1.103 568 R CA 1.342 57.478 56.100 0.059 0.000 0.983 568 R CB 0.148 30.461 30.300 0.021 0.000 0.874 568 R HN 0.918 nan 8.270 nan 0.000 0.451 569 N N -0.406 118.366 118.700 0.121 0.000 2.279 569 N HA 0.073 4.813 4.740 0.001 0.000 0.226 569 N C -0.370 175.208 175.510 0.114 0.000 1.126 569 N CA 0.698 53.812 53.050 0.106 0.000 0.846 569 N CB 0.809 39.328 38.487 0.053 0.000 1.050 569 N HN 0.171 nan 8.380 nan 0.000 0.502 570 G N 0.695 109.606 108.800 0.184 0.000 3.153 570 G HA2 -0.302 3.658 3.960 0.001 0.000 0.686 570 G HA3 -0.302 3.658 3.960 0.001 0.000 0.686 570 G C -0.135 174.878 174.900 0.187 0.000 0.995 570 G CA -0.352 44.859 45.100 0.185 0.000 0.783 570 G HN 0.159 nan 8.290 nan 0.000 0.551 571 Y N 2.323 122.688 120.300 0.107 0.000 2.315 571 Y HA -0.190 4.360 4.550 0.001 0.000 0.288 571 Y C 3.087 179.025 175.900 0.064 0.000 1.154 571 Y CA 2.486 60.632 58.100 0.077 0.000 1.229 571 Y CB -0.294 38.210 38.460 0.074 0.000 0.980 571 Y HN 1.105 nan 8.280 nan 0.000 0.540 572 S N -1.086 114.767 115.700 0.255 0.000 2.462 572 S HA -0.239 4.231 4.470 0.001 0.000 0.243 572 S C 2.195 176.871 174.600 0.127 0.000 1.003 572 S CA 1.078 59.371 58.200 0.155 0.000 0.970 572 S CB -1.797 61.470 63.200 0.112 0.000 0.762 572 S HN 0.622 nan 8.310 nan 0.000 0.510 573 C N 0.046 119.424 119.300 0.131 0.000 2.422 573 C HA 0.091 4.552 4.460 0.001 0.000 0.279 573 C C 2.303 177.349 174.990 0.094 0.000 1.305 573 C CA 0.196 59.267 59.018 0.088 0.000 1.757 573 C CB -1.773 26.006 27.740 0.065 0.000 1.962 573 C HN 0.422 nan 8.230 nan 0.000 0.499 574 V N 3.191 123.197 119.914 0.152 0.000 2.229 574 V HA -0.101 4.020 4.120 0.001 0.000 0.243 574 V C 0.589 176.740 176.094 0.095 0.000 1.042 574 V CA 2.761 65.150 62.300 0.148 0.000 1.000 574 V CB -1.840 30.141 31.823 0.263 0.000 0.637 574 V HN 0.346 nan 8.190 nan 0.000 0.446 575 P HA -0.098 nan 4.420 nan 0.000 0.217 575 P C 1.919 179.236 177.300 0.029 0.000 1.150 575 P CA 1.421 64.546 63.100 0.042 0.000 0.832 575 P CB -0.125 31.593 31.700 0.030 0.000 0.787 576 V N 0.854 120.789 119.914 0.036 0.000 2.332 576 V HA -0.240 3.880 4.120 0.001 0.000 0.248 576 V C 2.831 178.931 176.094 0.011 0.000 1.055 576 V CA 2.311 64.623 62.300 0.020 0.000 1.038 576 V CB -1.702 30.135 31.823 0.024 0.000 0.651 576 V HN 0.118 nan 8.190 nan 0.000 0.450 577 A N -0.458 122.374 122.820 0.020 0.000 1.898 577 A HA -0.091 4.229 4.320 0.001 0.000 0.216 577 A C 2.129 179.712 177.584 -0.001 0.000 1.181 577 A CA 1.470 53.513 52.037 0.009 0.000 0.620 577 A CB -0.489 18.522 19.000 0.018 0.000 0.819 577 A HN 0.510 nan 8.150 nan 0.000 0.442 578 L N -0.810 120.419 121.223 0.010 0.000 2.465 578 L HA -0.073 4.267 4.340 0.001 0.000 0.224 578 L C 2.660 179.517 176.870 -0.022 0.000 1.145 578 L CA 0.577 55.417 54.840 -0.000 0.000 0.834 578 L CB -0.246 41.825 42.059 0.020 0.000 0.944 578 L HN 0.443 nan 8.230 nan 0.000 0.451 579 A N -0.483 122.324 122.820 -0.021 0.000 2.123 579 A HA -0.079 4.241 4.320 0.001 0.000 0.214 579 A C 1.097 178.656 177.584 -0.043 0.000 1.152 579 A CA -0.135 51.882 52.037 -0.034 0.000 0.728 579 A CB -0.256 18.727 19.000 -0.027 0.000 0.814 579 A HN 0.399 nan 8.150 nan 0.000 0.464 580 E N -0.094 120.082 120.200 -0.041 0.000 2.480 580 E HA 0.280 4.630 4.350 0.001 0.000 0.258 580 E C 1.109 177.673 176.600 -0.060 0.000 0.984 580 E CA 0.716 57.088 56.400 -0.047 0.000 0.930 580 E CB -0.208 29.465 29.700 -0.046 0.000 0.936 580 E HN 0.742 nan 8.360 nan 0.000 0.466 581 G N 3.739 112.505 108.800 -0.056 0.000 2.162 581 G HA2 -0.278 3.682 3.960 0.001 0.000 0.260 581 G HA3 -0.278 3.682 3.960 0.001 0.000 0.260 581 G C 0.018 174.879 174.900 -0.065 0.000 0.976 581 G CA 0.362 45.425 45.100 -0.061 0.000 0.655 581 G HN 0.463 nan 8.290 nan 0.000 0.533 582 L N 0.213 121.397 121.223 -0.065 0.000 2.334 582 L HA 0.516 4.856 4.340 0.001 0.000 0.275 582 L C -0.045 176.784 176.870 -0.069 0.000 1.036 582 L CA -0.970 53.828 54.840 -0.071 0.000 0.807 582 L CB 1.461 43.475 42.059 -0.074 0.000 1.231 582 L HN 0.077 nan 8.230 nan 0.000 0.438 583 D N 3.140 123.495 120.400 -0.075 0.000 2.422 583 D HA 0.343 4.984 4.640 0.001 0.000 0.227 583 D C -0.700 175.539 176.300 -0.101 0.000 1.190 583 D CA 0.070 54.022 54.000 -0.079 0.000 0.905 583 D CB 0.120 40.876 40.800 -0.073 0.000 1.034 583 D HN 0.192 nan 8.370 nan 0.000 0.507 584 I N 3.945 124.456 120.570 -0.098 0.000 2.389 584 I HA 0.232 4.402 4.170 0.001 0.000 0.288 584 I C 0.134 176.174 176.117 -0.129 0.000 0.999 584 I CA -0.951 60.279 61.300 -0.116 0.000 1.129 584 I CB 1.502 39.445 38.000 -0.095 0.000 1.288 584 I HN -0.087 nan 8.210 nan 0.000 0.444 585 K N 7.935 128.232 120.400 -0.171 0.000 2.266 585 K HA 0.481 4.802 4.320 0.001 0.000 0.274 585 K C -0.459 176.033 176.600 -0.181 0.000 1.090 585 K CA -0.380 55.795 56.287 -0.188 0.000 0.925 585 K CB 0.925 33.273 32.500 -0.253 0.000 1.225 585 K HN 0.537 nan 8.250 nan 0.000 0.458 586 L N 1.734 122.871 121.223 -0.143 0.000 2.466 586 L HA 0.138 4.479 4.340 0.001 0.000 0.257 586 L C 0.910 177.698 176.870 -0.136 0.000 1.189 586 L CA -0.395 54.364 54.840 -0.135 0.000 0.813 586 L CB 0.158 42.159 42.059 -0.097 0.000 1.118 586 L HN 0.674 nan 8.230 nan 0.000 0.471 587 N N -0.255 118.358 118.700 -0.146 0.000 2.708 587 N HA -0.154 4.586 4.740 0.001 0.000 0.249 587 N C -0.615 174.833 175.510 -0.103 0.000 1.097 587 N CA 1.017 53.998 53.050 -0.116 0.000 0.710 587 N CB -1.407 37.054 38.487 -0.044 0.000 1.032 587 N HN 0.675 nan 8.380 nan 0.000 0.551 588 T N 0.019 114.473 114.554 -0.166 0.000 2.912 588 T HA 0.551 4.902 4.350 0.001 0.000 0.326 588 T C 0.232 174.838 174.700 -0.156 0.000 1.080 588 T CA -0.437 61.593 62.100 -0.117 0.000 1.000 588 T CB 1.538 70.307 68.868 -0.166 0.000 1.008 588 T HN 0.331 nan 8.240 nan 0.000 0.473 589 A N 3.604 126.366 122.820 -0.096 0.000 2.279 589 A HA 0.598 4.919 4.320 0.001 0.000 0.306 589 A C 0.485 178.082 177.584 0.021 0.000 1.300 589 A CA -0.517 51.460 52.037 -0.101 0.000 0.925 589 A CB 0.074 19.089 19.000 0.025 0.000 1.152 589 A HN 0.687 nan 8.150 nan 0.000 0.544 590 V N 4.652 124.561 119.914 -0.007 0.000 2.599 590 V HA 0.038 4.158 4.120 0.001 0.000 0.300 590 V C 1.278 177.388 176.094 0.027 0.000 1.034 590 V CA 0.413 62.720 62.300 0.013 0.000 1.115 590 V CB 0.499 32.305 31.823 -0.028 0.000 0.934 590 V HN 1.009 nan 8.190 nan 0.000 0.485 591 R N 2.566 123.078 120.500 0.020 0.000 2.225 591 R HA 0.250 4.590 4.340 0.001 0.000 0.194 591 R C 0.510 176.773 176.300 -0.061 0.000 0.949 591 R CA 0.237 56.339 56.100 0.004 0.000 1.088 591 R CB 0.592 30.910 30.300 0.030 0.000 1.106 591 R HN 0.768 nan 8.270 nan 0.000 0.566 592 Q N 0.448 120.209 119.800 -0.066 0.000 2.345 592 Q HA 0.393 4.733 4.340 0.001 0.000 0.275 592 Q C -1.819 174.124 176.000 -0.095 0.000 1.063 592 Q CA -0.462 55.278 55.803 -0.105 0.000 0.819 592 Q CB 2.928 31.641 28.738 -0.042 0.000 1.356 592 Q HN -0.144 nan 8.270 nan 0.000 0.418 593 V N 3.927 123.754 119.914 -0.144 0.000 2.407 593 V HA 0.540 4.660 4.120 0.001 0.000 0.291 593 V C -0.631 175.578 176.094 0.192 0.000 1.018 593 V CA -0.610 61.700 62.300 0.015 0.000 0.842 593 V CB 1.552 33.373 31.823 -0.003 0.000 0.996 593 V HN 0.693 nan 8.190 nan 0.000 0.426 594 R N 4.516 125.117 120.500 0.169 0.000 2.343 594 R HA 0.607 4.947 4.340 0.001 0.000 0.320 594 R C -1.500 174.920 176.300 0.201 0.000 0.956 594 R CA -0.613 55.559 56.100 0.119 0.000 0.836 594 R CB 1.856 32.181 30.300 0.041 0.000 1.151 594 R HN 0.800 nan 8.270 nan 0.000 0.450 595 Y N -0.705 119.642 120.300 0.080 0.000 2.373 595 Y HA 0.604 5.154 4.550 0.001 0.000 0.336 595 Y C -0.427 175.509 175.900 0.059 0.000 0.979 595 Y CA -1.067 57.076 58.100 0.071 0.000 1.080 595 Y CB 1.493 39.997 38.460 0.073 0.000 1.190 595 Y HN 0.554 nan 8.280 nan 0.000 0.446 596 T N -1.028 113.591 114.554 0.108 0.000 2.831 596 T HA 0.708 5.058 4.350 0.001 0.000 0.287 596 T C 0.936 175.699 174.700 0.106 0.000 1.070 596 T CA -0.544 61.587 62.100 0.051 0.000 1.010 596 T CB 1.402 70.281 68.868 0.017 0.000 1.264 596 T HN 0.901 nan 8.240 nan 0.000 0.532 597 A N 0.606 123.471 122.820 0.076 0.000 2.070 597 A HA 0.053 4.373 4.320 0.001 0.000 0.220 597 A C 2.301 179.939 177.584 0.091 0.000 1.159 597 A CA 1.871 53.958 52.037 0.083 0.000 0.656 597 A CB -1.183 17.851 19.000 0.056 0.000 0.800 597 A HN 1.150 nan 8.150 nan 0.000 0.453 598 S N -2.616 113.133 115.700 0.081 0.000 2.517 598 S HA 0.505 4.975 4.470 0.001 0.000 0.214 598 S C 0.862 175.521 174.600 0.098 0.000 0.991 598 S CA 0.735 58.983 58.200 0.081 0.000 0.906 598 S CB 0.138 63.372 63.200 0.057 0.000 0.789 598 S HN 1.574 nan 8.310 nan 0.000 0.513 599 G N -0.614 108.253 108.800 0.111 0.000 2.333 599 G HA2 0.380 4.341 3.960 0.001 0.000 0.288 599 G HA3 0.380 4.341 3.960 0.001 0.000 0.288 599 G C -1.680 173.292 174.900 0.120 0.000 1.286 599 G CA -0.236 44.932 45.100 0.113 0.000 0.865 599 G HN 0.473 nan 8.290 nan 0.000 0.506 600 C N -0.092 119.271 119.300 0.105 0.000 2.898 600 C HA 0.883 5.343 4.460 0.001 0.000 0.304 600 C C -0.573 174.474 174.990 0.095 0.000 1.237 600 C CA -0.628 58.463 59.018 0.121 0.000 1.529 600 C CB 1.397 29.218 27.740 0.134 0.000 2.021 600 C HN 1.008 nan 8.230 nan 0.000 0.474 601 E N 0.578 120.839 120.200 0.100 0.000 2.275 601 E HA 0.697 5.047 4.350 0.001 0.000 0.270 601 E C -1.918 174.743 176.600 0.102 0.000 0.882 601 E CA -0.541 55.914 56.400 0.091 0.000 0.758 601 E CB 1.545 31.281 29.700 0.061 0.000 1.195 601 E HN 0.325 nan 8.360 nan 0.000 0.419 602 V N 4.348 124.342 119.914 0.133 0.000 2.417 602 V HA 0.357 4.477 4.120 0.001 0.000 0.291 602 V C -0.381 175.814 176.094 0.168 0.000 1.024 602 V CA -0.721 61.659 62.300 0.133 0.000 0.861 602 V CB 1.088 32.986 31.823 0.126 0.000 0.985 602 V HN 0.652 nan 8.190 nan 0.000 0.436 603 I N 4.656 125.288 120.570 0.103 0.000 2.315 603 I HA 0.723 4.893 4.170 0.001 0.000 0.291 603 I C 0.426 176.617 176.117 0.123 0.000 1.006 603 I CA 0.320 61.679 61.300 0.099 0.000 1.265 603 I CB 1.449 39.475 38.000 0.042 0.000 1.387 603 I HN 0.723 nan 8.210 nan 0.000 0.475 604 A N 5.761 128.702 122.820 0.202 0.000 2.469 604 A HA 0.942 5.263 4.320 0.001 0.000 0.299 604 A C -0.718 177.028 177.584 0.269 0.000 1.098 604 A CA -0.634 51.533 52.037 0.217 0.000 0.737 604 A CB 1.834 20.986 19.000 0.253 0.000 1.312 604 A HN 0.639 nan 8.150 nan 0.000 0.414 605 V N -0.508 119.539 119.914 0.221 0.000 3.046 605 V HA 0.661 4.781 4.120 0.001 0.000 0.316 605 V C -0.234 176.014 176.094 0.256 0.000 1.104 605 V CA -1.170 61.261 62.300 0.219 0.000 1.006 605 V CB 1.944 33.834 31.823 0.112 0.000 1.058 605 V HN 0.857 nan 8.190 nan 0.000 0.440 606 N N 1.642 120.498 118.700 0.259 0.000 2.430 606 N HA 0.147 4.887 4.740 0.001 0.000 0.265 606 N C 1.272 176.862 175.510 0.134 0.000 1.100 606 N CA 0.654 53.841 53.050 0.227 0.000 0.961 606 N CB 1.794 40.430 38.487 0.248 0.000 1.075 606 N HN 1.077 nan 8.380 nan 0.000 0.478 607 T N 1.768 116.383 114.554 0.102 0.000 2.962 607 T HA -0.050 4.301 4.350 0.001 0.000 0.270 607 T C 1.524 176.290 174.700 0.110 0.000 1.088 607 T CA 0.988 63.161 62.100 0.121 0.000 1.127 607 T CB 0.086 69.020 68.868 0.110 0.000 0.883 607 T HN 0.510 nan 8.240 nan 0.000 0.493 608 R N 1.697 122.249 120.500 0.086 0.000 2.100 608 R HA 0.149 4.489 4.340 0.001 0.000 0.220 608 R C 0.738 177.076 176.300 0.062 0.000 1.091 608 R CA 1.065 57.207 56.100 0.070 0.000 0.986 608 R CB 0.190 30.525 30.300 0.058 0.000 0.888 608 R HN 0.539 nan 8.270 nan 0.000 0.444 609 S N -0.482 115.257 115.700 0.066 0.000 2.383 609 S HA 0.084 4.554 4.470 0.001 0.000 0.196 609 S C 0.621 175.249 174.600 0.047 0.000 1.364 609 S CA -0.648 57.581 58.200 0.047 0.000 1.212 609 S CB 1.242 64.463 63.200 0.034 0.000 1.171 609 S HN 0.235 nan 8.310 nan 0.000 0.456 610 T N 0.504 115.089 114.554 0.050 0.000 2.802 610 T HA -0.237 4.113 4.350 0.001 0.000 0.269 610 T C 1.922 176.633 174.700 0.018 0.000 1.062 610 T CA 1.972 64.102 62.100 0.050 0.000 1.133 610 T CB -1.045 67.854 68.868 0.051 0.000 0.852 610 T HN 0.789 nan 8.240 nan 0.000 0.485 611 S N 0.849 116.548 115.700 -0.002 0.000 2.402 611 S HA -0.067 4.404 4.470 0.001 0.000 0.229 611 S C 1.149 175.705 174.600 -0.073 0.000 1.021 611 S CA 0.200 58.382 58.200 -0.030 0.000 0.974 611 S CB -0.651 62.532 63.200 -0.028 0.000 0.800 611 S HN 0.760 nan 8.310 nan 0.000 0.484 612 Q N 2.193 121.940 119.800 -0.088 0.000 2.262 612 Q HA 0.192 4.532 4.340 0.001 0.000 0.272 612 Q C -1.086 174.727 176.000 -0.311 0.000 1.076 612 Q CA 0.232 55.908 55.803 -0.213 0.000 0.905 612 Q CB 0.202 28.835 28.738 -0.174 0.000 1.182 612 Q HN 0.262 nan 8.270 nan 0.000 0.390 613 T N 4.578 118.886 114.554 -0.410 0.000 2.859 613 T HA 0.546 4.896 4.350 0.001 0.000 0.281 613 T C -0.980 173.366 174.700 -0.589 0.000 1.005 613 T CA -0.320 61.576 62.100 -0.340 0.000 1.025 613 T CB 0.479 69.247 68.868 -0.168 0.000 0.977 613 T HN 0.362 nan 8.240 nan 0.000 0.458 614 F N 2.132 122.044 119.950 -0.063 0.000 2.520 614 F HA 0.593 5.120 4.527 0.001 0.000 0.322 614 F C -0.226 175.427 175.800 -0.244 0.000 1.103 614 F CA -1.303 56.585 58.000 -0.187 0.000 0.926 614 F CB 1.420 40.332 39.000 -0.147 0.000 1.154 614 F HN 0.213 nan 8.300 nan 0.000 0.453 615 I N 3.612 124.052 120.570 -0.217 0.000 2.389 615 I HA 0.293 4.463 4.170 0.001 0.000 0.288 615 I C -1.222 174.681 176.117 -0.357 0.000 0.999 615 I CA -1.082 60.113 61.300 -0.175 0.000 1.129 615 I CB 1.266 39.210 38.000 -0.094 0.000 1.288 615 I HN 0.531 nan 8.210 nan 0.000 0.444 616 Y N 5.055 125.384 120.300 0.049 0.000 2.328 616 Y HA 0.391 4.942 4.550 0.001 0.000 0.333 616 Y C 0.363 176.273 175.900 0.016 0.000 0.958 616 Y CA -0.835 57.279 58.100 0.024 0.000 1.167 616 Y CB 1.693 40.156 38.460 0.005 0.000 1.151 616 Y HN 0.298 nan 8.280 nan 0.000 0.470 617 K N 3.571 124.049 120.400 0.129 0.000 2.130 617 K HA 0.745 5.065 4.320 0.001 0.000 0.268 617 K C -0.515 176.127 176.600 0.070 0.000 0.983 617 K CA -0.331 56.004 56.287 0.081 0.000 0.893 617 K CB 1.538 34.066 32.500 0.047 0.000 1.066 617 K HN 0.882 nan 8.250 nan 0.000 0.450 618 C N -1.386 117.942 119.300 0.047 0.000 3.306 618 C HA 0.377 4.838 4.460 0.001 0.000 0.335 618 C C 0.733 175.714 174.990 -0.015 0.000 1.382 618 C CA -0.861 58.158 59.018 0.003 0.000 1.254 618 C CB 1.007 28.738 27.740 -0.016 0.000 1.555 618 C HN 0.821 nan 8.230 nan 0.000 0.463 619 D N 0.809 121.151 120.400 -0.097 0.000 2.249 619 D HA 0.301 4.942 4.640 0.001 0.000 0.205 619 D C 0.738 176.919 176.300 -0.199 0.000 0.962 619 D CA 1.811 55.725 54.000 -0.143 0.000 0.860 619 D CB 0.579 41.196 40.800 -0.305 0.000 0.955 619 D HN 1.004 nan 8.370 nan 0.000 0.505 620 A N 0.157 122.834 122.820 -0.238 0.000 2.594 620 A HA 0.540 4.860 4.320 0.001 0.000 0.295 620 A C -1.302 176.272 177.584 -0.016 0.000 1.071 620 A CA -0.549 51.443 52.037 -0.075 0.000 0.685 620 A CB 1.935 20.800 19.000 -0.225 0.000 1.285 620 A HN -0.099 nan 8.150 nan 0.000 0.405 621 V N 1.616 121.584 119.914 0.089 0.000 2.487 621 V HA 0.541 4.661 4.120 0.001 0.000 0.298 621 V C -1.041 175.076 176.094 0.038 0.000 1.028 621 V CA -0.479 61.837 62.300 0.027 0.000 0.860 621 V CB 1.490 33.324 31.823 0.018 0.000 0.991 621 V HN 0.833 nan 8.190 nan 0.000 0.427 622 L N 6.019 127.229 121.223 -0.022 0.000 2.276 622 L HA 0.580 4.920 4.340 0.001 0.000 0.286 622 L C -0.284 176.545 176.870 -0.067 0.000 1.024 622 L CA -0.062 54.758 54.840 -0.033 0.000 0.826 622 L CB 0.831 42.862 42.059 -0.046 0.000 1.211 622 L HN 0.846 nan 8.230 nan 0.000 0.422 623 C N 4.279 123.488 119.300 -0.152 0.000 2.303 623 C HA 0.597 5.058 4.460 0.001 0.000 0.341 623 C C 1.408 176.463 174.990 0.109 0.000 1.244 623 C CA 0.247 59.239 59.018 -0.043 0.000 1.765 623 C CB -0.506 27.160 27.740 -0.122 0.000 2.379 623 C HN 0.964 nan 8.230 nan 0.000 0.530 624 T N 4.122 118.754 114.554 0.129 0.000 3.228 624 T HA 0.282 4.633 4.350 0.001 0.000 0.278 624 T C 0.180 175.013 174.700 0.221 0.000 1.014 624 T CA -0.334 61.873 62.100 0.178 0.000 0.904 624 T CB -0.471 68.457 68.868 0.100 0.000 1.110 624 T HN 0.647 nan 8.240 nan 0.000 0.541 625 L N 2.168 123.524 121.223 0.221 0.000 2.525 625 L HA 0.286 4.626 4.340 0.001 0.000 0.278 625 L C -2.072 174.846 176.870 0.080 0.000 1.218 625 L CA -1.827 53.107 54.840 0.157 0.000 0.878 625 L CB -0.027 42.128 42.059 0.160 0.000 1.127 625 L HN 0.083 nan 8.230 nan 0.000 0.492 626 P HA -0.052 nan 4.420 nan 0.000 0.269 626 P C 0.462 177.383 177.300 -0.631 0.000 1.215 626 P CA -0.423 62.551 63.100 -0.208 0.000 0.780 626 P CB 0.601 32.277 31.700 -0.040 0.000 0.898 627 L N 3.103 123.668 121.223 -1.097 0.000 2.079 627 L HA -0.115 4.225 4.340 0.001 0.000 0.210 627 L C 2.182 178.468 176.870 -0.974 0.000 1.081 627 L CA 2.593 56.798 54.840 -1.059 0.000 0.752 627 L CB -1.588 39.973 42.059 -0.830 0.000 0.896 627 L HN 0.531 nan 8.230 nan 0.000 0.433 628 G N -1.285 106.546 108.800 -1.615 0.000 2.442 628 G HA2 -0.206 3.755 3.960 0.001 0.000 0.219 628 G HA3 -0.206 3.755 3.960 0.001 0.000 0.219 628 G C 1.506 176.212 174.900 -0.322 0.000 1.141 628 G CA 1.077 45.692 45.100 -0.810 0.000 0.763 628 G HN 0.358 nan 8.290 nan 0.000 0.554 629 V N 0.820 120.570 119.914 -0.274 0.000 2.323 629 V HA -0.054 4.066 4.120 0.001 0.000 0.244 629 V C 2.855 178.902 176.094 -0.079 0.000 1.041 629 V CA 1.231 63.476 62.300 -0.092 0.000 1.025 629 V CB -0.372 31.455 31.823 0.006 0.000 0.656 629 V HN 0.341 nan 8.190 nan 0.000 0.451 630 L N -0.461 120.683 121.223 -0.131 0.000 2.265 630 L HA -0.174 4.167 4.340 0.001 0.000 0.215 630 L C 2.415 179.233 176.870 -0.087 0.000 1.117 630 L CA 1.478 56.279 54.840 -0.066 0.000 0.782 630 L CB -0.522 41.462 42.059 -0.125 0.000 0.914 630 L HN 0.308 nan 8.230 nan 0.000 0.441 631 K N -0.466 119.848 120.400 -0.143 0.000 2.305 631 K HA -0.014 4.306 4.320 0.001 0.000 0.199 631 K C 0.627 177.193 176.600 -0.057 0.000 1.047 631 K CA -0.031 56.192 56.287 -0.106 0.000 0.976 631 K CB 0.105 32.532 32.500 -0.122 0.000 0.765 631 K HN 0.307 nan 8.250 nan 0.000 0.474 632 Q N 1.383 121.155 119.800 -0.048 0.000 2.368 632 Q HA -0.129 4.212 4.340 0.001 0.000 0.331 632 Q C -0.638 175.353 176.000 -0.016 0.000 1.086 632 Q CA 0.914 56.701 55.803 -0.027 0.000 1.031 632 Q CB 0.389 29.113 28.738 -0.024 0.000 1.125 632 Q HN -0.046 nan 8.270 nan 0.000 0.389 633 Q N 3.343 123.134 119.800 -0.015 0.000 2.295 633 Q HA 0.364 4.705 4.340 0.001 0.000 0.259 633 Q C -2.434 173.559 176.000 -0.011 0.000 0.966 633 Q CA -1.452 54.344 55.803 -0.011 0.000 0.763 633 Q CB 1.449 30.180 28.738 -0.011 0.000 1.283 633 Q HN 0.393 nan 8.270 nan 0.000 0.445 634 P HA 0.336 nan 4.420 nan 0.000 0.272 634 P C -2.597 174.700 177.300 -0.005 0.000 1.223 634 P CA -1.174 61.922 63.100 -0.006 0.000 0.784 634 P CB 0.058 31.755 31.700 -0.006 0.000 0.923 635 P HA 0.088 nan 4.420 nan 0.000 0.271 635 P C 0.016 177.318 177.300 0.004 0.000 1.216 635 P CA -0.021 63.086 63.100 0.011 0.000 0.776 635 P CB 0.617 32.335 31.700 0.031 0.000 0.881 636 A N 2.775 125.599 122.820 0.006 0.000 1.984 636 A HA 0.117 4.438 4.320 0.001 0.000 0.214 636 A C 0.598 178.188 177.584 0.010 0.000 1.173 636 A CA 1.083 53.128 52.037 0.013 0.000 0.673 636 A CB -0.128 18.887 19.000 0.025 0.000 0.830 636 A HN 0.414 nan 8.150 nan 0.000 0.453 637 V N 0.987 120.888 119.914 -0.020 0.000 2.407 637 V HA 0.307 4.427 4.120 0.001 0.000 0.291 637 V C -0.428 175.548 176.094 -0.197 0.000 1.018 637 V CA -0.629 61.595 62.300 -0.127 0.000 0.842 637 V CB 1.412 33.125 31.823 -0.182 0.000 0.996 637 V HN 0.554 nan 8.190 nan 0.000 0.426 638 Q N 3.493 123.176 119.800 -0.195 0.000 2.256 638 Q HA 0.548 4.888 4.340 0.001 0.000 0.254 638 Q C -1.677 174.191 176.000 -0.219 0.000 0.916 638 Q CA -0.462 55.272 55.803 -0.115 0.000 0.932 638 Q CB 1.168 29.883 28.738 -0.039 0.000 1.207 638 Q HN 0.612 nan 8.270 nan 0.000 0.426 639 F N 2.493 122.492 119.950 0.082 0.000 2.420 639 F HA 0.427 4.955 4.527 0.001 0.000 0.342 639 F C -0.337 175.519 175.800 0.094 0.000 1.113 639 F CA -0.661 57.426 58.000 0.146 0.000 1.059 639 F CB 1.733 40.856 39.000 0.205 0.000 1.128 639 F HN 0.199 nan 8.300 nan 0.000 0.475 640 V N 5.276 125.319 119.914 0.216 0.000 2.443 640 V HA 0.367 4.487 4.120 0.001 0.000 0.293 640 V C -2.177 173.703 176.094 -0.357 0.000 1.021 640 V CA -1.906 60.385 62.300 -0.016 0.000 0.848 640 V CB 1.589 33.396 31.823 -0.028 0.000 0.998 640 V HN 0.509 nan 8.190 nan 0.000 0.424 641 P HA 0.287 nan 4.420 nan 0.000 0.272 641 P C -2.782 174.542 177.300 0.040 0.000 1.240 641 P CA -1.682 61.315 63.100 -0.171 0.000 0.791 641 P CB -0.071 31.523 31.700 -0.176 0.000 0.978 642 P HA 0.087 nan 4.420 nan 0.000 0.268 642 P C 0.046 177.394 177.300 0.080 0.000 1.208 642 P CA 0.240 63.407 63.100 0.111 0.000 0.777 642 P CB 0.211 31.938 31.700 0.046 0.000 0.875 643 L N 3.913 125.136 121.223 0.001 0.000 2.485 643 L HA 0.145 4.485 4.340 0.001 0.000 0.275 643 L C -1.473 175.247 176.870 -0.250 0.000 1.207 643 L CA -1.565 53.158 54.840 -0.195 0.000 0.855 643 L CB -0.471 41.352 42.059 -0.393 0.000 1.114 643 L HN 0.300 nan 8.230 nan 0.000 0.485 644 P HA 0.028 nan 4.420 nan 0.000 0.270 644 P C 0.150 177.171 177.300 -0.465 0.000 1.223 644 P CA -0.247 62.611 63.100 -0.405 0.000 0.785 644 P CB 0.693 32.057 31.700 -0.561 0.000 0.923 645 E N 0.959 121.022 120.200 -0.227 0.000 2.130 645 E HA -0.176 4.174 4.350 0.001 0.000 0.196 645 E C 1.834 178.365 176.600 -0.116 0.000 0.998 645 E CA 1.431 57.752 56.400 -0.132 0.000 0.806 645 E CB -0.281 29.406 29.700 -0.021 0.000 0.738 645 E HN 0.685 nan 8.360 nan 0.000 0.459 646 W N 1.621 122.884 121.300 -0.061 0.000 2.374 646 W HA -0.117 4.544 4.660 0.001 0.000 0.288 646 W C 1.773 178.226 176.519 -0.109 0.000 1.218 646 W CA 0.856 58.157 57.345 -0.074 0.000 1.245 646 W CB -0.468 28.954 29.460 -0.064 0.000 1.126 646 W HN -0.081 nan 8.180 nan 0.000 0.545 647 K N 1.978 121.922 120.400 -0.761 0.000 2.044 647 K HA -0.110 4.210 4.320 0.001 0.000 0.204 647 K C 2.432 178.785 176.600 -0.412 0.000 1.049 647 K CA 3.038 58.887 56.287 -0.731 0.000 0.945 647 K CB -0.948 30.847 32.500 -1.175 0.000 0.724 647 K HN 0.116 nan 8.250 nan 0.000 0.440 648 T N -1.951 112.388 114.554 -0.359 0.000 2.821 648 T HA -0.049 4.301 4.350 0.001 0.000 0.267 648 T C 2.067 176.675 174.700 -0.154 0.000 1.046 648 T CA 1.617 63.580 62.100 -0.229 0.000 1.139 648 T CB -0.511 68.251 68.868 -0.175 0.000 0.871 648 T HN 0.067 nan 8.240 nan 0.000 0.454 649 S N 1.528 117.158 115.700 -0.118 0.000 2.402 649 S HA 0.167 4.638 4.470 0.001 0.000 0.229 649 S C 2.561 177.118 174.600 -0.073 0.000 1.021 649 S CA 0.834 58.993 58.200 -0.068 0.000 0.974 649 S CB -0.698 62.487 63.200 -0.025 0.000 0.800 649 S HN 0.771 nan 8.310 nan 0.000 0.484 650 A N 1.139 123.908 122.820 -0.085 0.000 1.873 650 A HA -0.024 4.297 4.320 0.001 0.000 0.215 650 A C 2.302 179.798 177.584 -0.145 0.000 1.186 650 A CA 1.386 53.364 52.037 -0.099 0.000 0.616 650 A CB -0.991 17.957 19.000 -0.085 0.000 0.823 650 A HN 0.320 nan 8.150 nan 0.000 0.442 651 V N 0.154 119.965 119.914 -0.171 0.000 2.324 651 V HA -0.373 3.748 4.120 0.001 0.000 0.250 651 V C 2.661 178.666 176.094 -0.148 0.000 1.060 651 V CA 2.492 64.683 62.300 -0.183 0.000 1.042 651 V CB -0.942 30.764 31.823 -0.195 0.000 0.650 651 V HN 0.669 nan 8.190 nan 0.000 0.450 652 Q N -0.994 118.737 119.800 -0.116 0.000 2.123 652 Q HA -0.098 4.243 4.340 0.001 0.000 0.199 652 Q C 2.514 178.466 176.000 -0.080 0.000 0.966 652 Q CA 1.091 56.843 55.803 -0.085 0.000 0.845 652 Q CB -0.131 28.568 28.738 -0.065 0.000 0.907 652 Q HN 0.570 nan 8.270 nan 0.000 0.439 653 R N -0.041 120.407 120.500 -0.086 0.000 2.062 653 R HA 0.052 4.392 4.340 0.001 0.000 0.229 653 R C 0.833 177.062 176.300 -0.117 0.000 1.128 653 R CA 0.429 56.482 56.100 -0.077 0.000 0.960 653 R CB -0.102 30.160 30.300 -0.063 0.000 0.855 653 R HN 0.257 nan 8.270 nan 0.000 0.432 654 M N 0.782 120.280 119.600 -0.170 0.000 2.246 654 M HA -0.016 4.465 4.480 0.001 0.000 0.327 654 M C 0.678 176.806 176.300 -0.286 0.000 1.090 654 M CA 0.396 55.546 55.300 -0.249 0.000 1.087 654 M CB 0.513 32.934 32.600 -0.300 0.000 1.587 654 M HN 0.147 nan 8.290 nan 0.000 0.444 655 G N 1.977 110.468 108.800 -0.516 0.000 2.389 655 G HA2 0.583 4.544 3.960 0.001 0.000 0.317 655 G HA3 0.583 4.544 3.960 0.001 0.000 0.317 655 G C -1.744 172.829 174.900 -0.544 0.000 1.137 655 G CA -0.341 44.192 45.100 -0.946 0.000 0.870 655 G HN 0.588 nan 8.290 nan 0.000 0.496 656 F N 2.271 122.051 119.950 -0.283 0.000 2.646 656 F HA 0.563 5.090 4.527 0.000 0.000 0.364 656 F C 0.675 176.598 175.800 0.205 0.000 1.137 656 F CA -0.918 57.077 58.000 -0.009 0.000 1.085 656 F CB 1.110 40.086 39.000 -0.041 0.000 1.331 656 F HN 0.683 nan 8.300 nan 0.000 0.472 657 G N 2.994 111.794 108.800 0.001 0.000 2.553 657 G HA2 0.294 4.255 3.960 0.001 0.000 0.278 657 G HA3 0.294 4.255 3.960 0.001 0.000 0.278 657 G C -1.162 173.509 174.900 -0.381 0.000 1.349 657 G CA -0.334 44.688 45.100 -0.130 0.000 1.037 657 G HN 0.592 nan 8.290 nan 0.000 0.508 658 N N -2.182 116.336 118.700 -0.304 0.000 2.484 658 N HA 0.582 5.323 4.740 0.001 0.000 0.269 658 N C -1.422 173.990 175.510 -0.163 0.000 1.237 658 N CA -0.659 52.263 53.050 -0.213 0.000 0.838 658 N CB 1.923 40.373 38.487 -0.061 0.000 1.593 658 N HN 0.851 nan 8.380 nan 0.000 0.485 659 L N 0.183 121.368 121.223 -0.065 0.000 2.591 659 L HA 0.723 5.063 4.340 0.001 0.000 0.257 659 L C -1.760 175.220 176.870 0.183 0.000 0.935 659 L CA -0.656 54.219 54.840 0.059 0.000 0.873 659 L CB 1.729 43.845 42.059 0.095 0.000 1.397 659 L HN 0.437 nan 8.230 nan 0.000 0.414 660 N N 1.541 120.359 118.700 0.197 0.000 2.380 660 N HA 0.648 5.389 4.740 0.001 0.000 0.290 660 N C -1.455 174.153 175.510 0.164 0.000 1.236 660 N CA -0.751 52.441 53.050 0.236 0.000 0.780 660 N CB 2.637 41.218 38.487 0.156 0.000 1.438 660 N HN 0.674 nan 8.380 nan 0.000 0.491 661 K N 0.348 120.838 120.400 0.150 0.000 2.422 661 K HA 0.574 4.894 4.320 0.001 0.000 0.251 661 K C -1.239 175.363 176.600 0.004 0.000 0.933 661 K CA -0.757 55.574 56.287 0.074 0.000 0.798 661 K CB 2.587 35.161 32.500 0.124 0.000 1.238 661 K HN 0.135 nan 8.250 nan 0.000 0.428 662 V N 2.671 122.557 119.914 -0.047 0.000 2.350 662 V HA 0.218 4.338 4.120 0.001 0.000 0.285 662 V C -0.381 175.667 176.094 -0.077 0.000 1.014 662 V CA -0.991 61.264 62.300 -0.076 0.000 0.831 662 V CB 1.439 33.216 31.823 -0.077 0.000 1.000 662 V HN 0.479 nan 8.190 nan 0.000 0.433 663 V N 7.043 126.884 119.914 -0.122 0.000 2.408 663 V HA 0.349 4.469 4.120 0.001 0.000 0.267 663 V C 0.002 175.990 176.094 -0.177 0.000 1.047 663 V CA -0.169 62.053 62.300 -0.129 0.000 0.937 663 V CB 1.110 32.812 31.823 -0.201 0.000 0.999 663 V HN 0.647 nan 8.190 nan 0.000 0.472 664 L N 5.442 126.588 121.223 -0.128 0.000 2.295 664 L HA 0.436 4.776 4.340 0.001 0.000 0.281 664 L C -0.417 176.194 176.870 -0.431 0.000 1.018 664 L CA -0.168 54.501 54.840 -0.285 0.000 0.841 664 L CB 1.182 43.183 42.059 -0.096 0.000 1.218 664 L HN 0.578 nan 8.230 nan 0.000 0.424 665 C N 3.422 122.393 119.300 -0.548 0.000 2.285 665 C HA 0.602 5.063 4.460 0.001 0.000 0.335 665 C C 0.247 174.934 174.990 -0.505 0.000 1.267 665 C CA -0.575 58.146 59.018 -0.495 0.000 1.762 665 C CB -0.598 26.611 27.740 -0.885 0.000 2.365 665 C HN 0.488 nan 8.230 nan 0.000 0.527 666 F N 1.589 121.688 119.950 0.249 0.000 2.671 666 F HA 0.423 4.951 4.527 0.001 0.000 0.373 666 F C 1.261 177.263 175.800 0.337 0.000 1.122 666 F CA -0.777 57.408 58.000 0.308 0.000 1.082 666 F CB 0.815 40.085 39.000 0.451 0.000 1.399 666 F HN 0.532 nan 8.300 nan 0.000 0.509 667 D N -1.281 119.410 120.400 0.485 0.000 2.417 667 D HA 0.108 4.748 4.640 0.001 0.000 0.207 667 D C 0.039 176.465 176.300 0.210 0.000 1.075 667 D CA 0.069 54.255 54.000 0.310 0.000 0.851 667 D CB 0.276 41.211 40.800 0.225 0.000 0.976 667 D HN 0.524 nan 8.370 nan 0.000 0.505 668 R N -0.881 119.743 120.500 0.206 0.000 2.764 668 R HA 0.637 4.978 4.340 0.001 0.000 0.270 668 R C -1.727 174.458 176.300 -0.192 0.000 1.014 668 R CA -1.035 55.080 56.100 0.024 0.000 0.904 668 R CB 1.263 31.571 30.300 0.012 0.000 1.236 668 R HN -0.170 nan 8.270 nan 0.000 0.466 669 V N 3.250 122.876 119.914 -0.480 0.000 2.348 669 V HA 0.235 4.355 4.120 0.001 0.000 0.270 669 V C 0.086 175.608 176.094 -0.953 0.000 1.037 669 V CA -0.425 61.141 62.300 -1.222 0.000 0.872 669 V CB 0.408 31.587 31.823 -1.072 0.000 1.002 669 V HN 0.765 nan 8.190 nan 0.000 0.464 670 F N 2.365 121.725 119.950 -0.983 0.000 2.678 670 F HA 0.434 4.962 4.527 0.001 0.000 0.305 670 F C 0.497 175.846 175.800 -0.753 0.000 1.090 670 F CA -1.338 56.285 58.000 -0.628 0.000 1.272 670 F CB -0.408 38.322 39.000 -0.449 0.000 1.060 670 F HN 0.457 nan 8.300 nan 0.000 0.576 671 W N 0.433 121.136 121.300 -0.995 0.000 2.353 671 W HA 0.513 5.174 4.660 0.001 0.000 0.377 671 W C -0.261 176.046 176.519 -0.354 0.000 1.375 671 W CA -1.412 55.344 57.345 -0.982 0.000 1.503 671 W CB -0.023 28.918 29.460 -0.867 0.000 1.345 671 W HN -0.259 nan 8.180 nan 0.000 0.683 672 D N 1.594 122.077 120.400 0.137 0.000 2.346 672 D HA 0.130 4.771 4.640 0.001 0.000 0.260 672 D C -1.435 174.992 176.300 0.211 0.000 1.252 672 D CA -1.827 52.257 54.000 0.140 0.000 0.895 672 D CB 1.455 42.369 40.800 0.190 0.000 1.097 672 D HN 0.048 nan 8.370 nan 0.000 0.489 673 P HA -0.098 nan 4.420 nan 0.000 0.219 673 P C 1.293 178.678 177.300 0.143 0.000 1.150 673 P CA 0.777 63.941 63.100 0.107 0.000 0.814 673 P CB 0.124 31.819 31.700 -0.009 0.000 0.787 674 S N -1.533 114.234 115.700 0.111 0.000 2.481 674 S HA 0.000 4.470 4.470 0.001 0.000 0.231 674 S C 0.845 175.524 174.600 0.131 0.000 0.996 674 S CA 0.222 58.483 58.200 0.103 0.000 0.942 674 S CB -1.108 62.137 63.200 0.074 0.000 0.768 674 S HN -0.112 nan 8.310 nan 0.000 0.520 675 V N 3.107 123.127 119.914 0.176 0.000 2.383 675 V HA 0.263 4.383 4.120 0.001 0.000 0.275 675 V C 0.881 177.110 176.094 0.225 0.000 1.036 675 V CA -0.526 61.892 62.300 0.198 0.000 0.889 675 V CB 0.931 32.897 31.823 0.239 0.000 0.985 675 V HN 0.437 nan 8.190 nan 0.000 0.459 676 N N 3.472 122.280 118.700 0.179 0.000 2.354 676 N HA 0.034 4.774 4.740 0.001 0.000 0.179 676 N C -0.243 175.349 175.510 0.136 0.000 1.021 676 N CA 0.583 53.746 53.050 0.187 0.000 0.887 676 N CB 0.242 38.850 38.487 0.202 0.000 0.974 676 N HN 0.508 nan 8.380 nan 0.000 0.437 677 L N -1.647 119.606 121.223 0.049 0.000 2.591 677 L HA 0.510 4.850 4.340 0.001 0.000 0.257 677 L C -1.376 175.485 176.870 -0.016 0.000 0.935 677 L CA -1.416 53.314 54.840 -0.184 0.000 0.873 677 L CB -0.254 41.404 42.059 -0.669 0.000 1.397 677 L HN -0.057 nan 8.230 nan 0.000 0.414 678 F N -0.626 119.295 119.950 -0.048 0.000 2.599 678 F HA 1.005 5.533 4.527 0.001 0.000 0.311 678 F C 0.238 176.097 175.800 0.099 0.000 1.076 678 F CA -0.664 57.364 58.000 0.046 0.000 0.937 678 F CB 1.867 40.996 39.000 0.216 0.000 1.282 678 F HN 0.831 nan 8.300 nan 0.000 0.460 679 G N 0.029 108.976 108.800 0.245 0.000 2.489 679 G HA2 0.444 4.404 3.960 0.001 0.000 0.327 679 G HA3 0.444 4.404 3.960 0.001 0.000 0.327 679 G C -2.172 172.974 174.900 0.411 0.000 1.189 679 G CA -0.745 44.529 45.100 0.289 0.000 0.962 679 G HN 1.080 nan 8.290 nan 0.000 0.486 680 H N 0.689 120.033 119.070 0.457 0.000 2.646 680 H HA 0.416 4.973 4.556 0.001 0.000 0.328 680 H C -1.179 174.395 175.328 0.410 0.000 0.998 680 H CA -0.515 55.764 56.048 0.384 0.000 1.225 680 H CB 1.792 31.817 29.762 0.438 0.000 1.457 680 H HN 0.202 nan 8.280 nan 0.000 0.505 681 V N 5.351 125.124 119.914 -0.235 0.000 2.408 681 V HA 0.229 4.349 4.120 0.001 0.000 0.267 681 V C 1.338 177.194 176.094 -0.397 0.000 1.047 681 V CA -0.130 62.072 62.300 -0.163 0.000 0.937 681 V CB 0.830 32.581 31.823 -0.120 0.000 0.999 681 V HN 0.880 nan 8.190 nan 0.000 0.472 682 G N 3.435 112.121 108.800 -0.189 0.000 2.569 682 G HA2 0.296 4.256 3.960 0.001 0.000 0.249 682 G HA3 0.296 4.256 3.960 0.001 0.000 0.249 682 G C 0.943 175.836 174.900 -0.011 0.000 1.216 682 G CA -0.091 44.962 45.100 -0.079 0.000 0.845 682 G HN 0.666 nan 8.290 nan 0.000 0.568 683 S N -0.784 114.939 115.700 0.039 0.000 2.371 683 S HA -0.004 4.467 4.470 0.001 0.000 0.224 683 S C 1.580 176.205 174.600 0.041 0.000 1.029 683 S CA 1.428 59.652 58.200 0.041 0.000 0.978 683 S CB -0.156 63.078 63.200 0.057 0.000 0.833 683 S HN 0.991 nan 8.310 nan 0.000 0.466 684 T N -1.550 113.034 114.554 0.049 0.000 2.942 684 T HA 0.409 4.759 4.350 0.001 0.000 0.289 684 T C 0.891 175.619 174.700 0.047 0.000 1.044 684 T CA -0.596 61.531 62.100 0.045 0.000 1.023 684 T CB 1.367 70.261 68.868 0.042 0.000 1.123 684 T HN -0.087 nan 8.240 nan 0.000 0.512 685 T N 1.032 115.615 114.554 0.047 0.000 2.821 685 T HA 0.016 4.366 4.350 0.001 0.000 0.267 685 T C 2.367 177.083 174.700 0.026 0.000 1.046 685 T CA 1.269 63.398 62.100 0.049 0.000 1.139 685 T CB -0.728 68.172 68.868 0.053 0.000 0.871 685 T HN 0.795 nan 8.240 nan 0.000 0.454 686 A N 1.958 124.792 122.820 0.023 0.000 1.883 686 A HA -0.088 4.232 4.320 0.001 0.000 0.217 686 A C 2.287 179.880 177.584 0.015 0.000 1.186 686 A CA 1.962 54.007 52.037 0.013 0.000 0.624 686 A CB -0.617 18.393 19.000 0.017 0.000 0.822 686 A HN 0.579 nan 8.150 nan 0.000 0.444 687 S N -0.293 115.426 115.700 0.033 0.000 2.583 687 S HA 0.120 4.591 4.470 0.001 0.000 0.239 687 S C 1.390 176.022 174.600 0.054 0.000 0.966 687 S CA 0.219 58.448 58.200 0.048 0.000 0.973 687 S CB -0.281 62.963 63.200 0.073 0.000 0.794 687 S HN 0.727 nan 8.310 nan 0.000 0.463 688 R N 0.953 121.463 120.500 0.017 0.000 2.127 688 R HA -0.012 4.328 4.340 0.001 0.000 0.238 688 R C 1.777 178.028 176.300 -0.082 0.000 1.134 688 R CA 1.699 57.792 56.100 -0.012 0.000 0.975 688 R CB -1.110 29.172 30.300 -0.030 0.000 0.865 688 R HN 0.407 nan 8.270 nan 0.000 0.447 689 G N 0.919 109.654 108.800 -0.107 0.000 3.042 689 G HA2 -0.111 3.849 3.960 0.001 0.000 0.212 689 G HA3 -0.111 3.849 3.960 0.001 0.000 0.212 689 G C -0.123 174.845 174.900 0.113 0.000 1.166 689 G CA -0.451 44.558 45.100 -0.151 0.000 0.767 689 G HN 0.455 nan 8.290 nan 0.000 0.546 690 E N 1.290 121.574 120.200 0.140 0.000 2.029 690 E HA 0.291 4.641 4.350 0.001 0.000 0.276 690 E C 0.428 177.167 176.600 0.232 0.000 1.163 690 E CA -0.531 55.965 56.400 0.161 0.000 0.909 690 E CB -0.265 29.516 29.700 0.135 0.000 1.046 690 E HN 0.223 nan 8.360 nan 0.000 0.406 691 L N 4.922 126.229 121.223 0.139 0.000 3.739 691 L HA -0.287 4.053 4.340 0.001 0.000 0.442 691 L C 0.611 177.570 176.870 0.149 0.000 1.241 691 L CA 0.069 54.898 54.840 -0.018 0.000 0.819 691 L CB -2.005 40.043 42.059 -0.018 0.000 1.679 691 L HN 0.647 nan 8.230 nan 0.000 0.889 692 F N -1.022 118.956 119.950 0.045 0.000 2.615 692 F HA 0.462 4.989 4.527 0.001 0.000 0.297 692 F C 0.512 176.452 175.800 0.233 0.000 1.124 692 F CA 0.016 58.135 58.000 0.199 0.000 1.451 692 F CB 0.200 39.160 39.000 -0.065 0.000 1.103 692 F HN 0.108 nan 8.300 nan 0.000 0.569 693 L N 0.512 121.099 121.223 -1.060 0.000 2.431 693 L HA 0.572 4.913 4.340 0.001 0.000 0.266 693 L C -1.933 174.377 176.870 -0.934 0.000 0.978 693 L CA -1.313 52.937 54.840 -0.983 0.000 0.822 693 L CB 1.738 42.828 42.059 -1.615 0.000 1.310 693 L HN -0.017 nan 8.230 nan 0.000 0.409 694 F N 3.129 122.571 119.950 -0.847 0.000 2.467 694 F HA 0.497 5.024 4.527 0.001 0.000 0.336 694 F C -0.845 174.470 175.800 -0.809 0.000 1.123 694 F CA -0.235 57.270 58.000 -0.824 0.000 0.964 694 F CB 1.367 39.664 39.000 -1.170 0.000 1.136 694 F HN 0.385 nan 8.300 nan 0.000 0.447 695 W N 2.399 123.541 121.300 -0.263 0.000 2.496 695 W HA 0.427 5.087 4.660 0.000 0.000 0.327 695 W C -0.041 176.398 176.519 -0.134 0.000 1.086 695 W CA -0.512 56.735 57.345 -0.163 0.000 1.222 695 W CB 1.204 30.607 29.460 -0.096 0.000 1.304 695 W HN 0.356 nan 8.180 nan 0.000 0.547 696 N N 3.331 122.141 118.700 0.184 0.000 2.716 696 N HA 0.314 5.054 4.740 0.001 0.000 0.253 696 N C -0.830 174.790 175.510 0.183 0.000 1.170 696 N CA -0.164 52.958 53.050 0.119 0.000 0.807 696 N CB 0.228 38.757 38.487 0.069 0.000 1.183 696 N HN 0.490 nan 8.380 nan 0.000 0.524 697 L N 0.741 122.025 121.223 0.103 0.000 3.039 697 L HA 0.433 4.773 4.340 0.001 0.000 0.269 697 L C -0.387 176.333 176.870 -0.251 0.000 1.169 697 L CA -0.296 54.480 54.840 -0.107 0.000 0.986 697 L CB -0.034 41.841 42.059 -0.307 0.000 1.377 697 L HN 0.241 nan 8.230 nan 0.000 0.575 698 Y N 0.580 120.974 120.300 0.156 0.000 2.432 698 Y HA 0.282 4.832 4.550 0.001 0.000 0.322 698 Y C 1.455 177.446 175.900 0.152 0.000 1.246 698 Y CA -0.745 57.439 58.100 0.141 0.000 1.268 698 Y CB 0.965 39.514 38.460 0.149 0.000 1.276 698 Y HN -0.181 nan 8.280 nan 0.000 0.499 699 K N 1.310 121.888 120.400 0.297 0.000 1.973 699 K HA -0.031 4.290 4.320 0.001 0.000 0.212 699 K C 0.711 177.421 176.600 0.182 0.000 1.047 699 K CA 1.220 57.617 56.287 0.182 0.000 0.937 699 K CB -0.428 32.144 32.500 0.120 0.000 0.721 699 K HN 0.637 nan 8.250 nan 0.000 0.440 700 A N 2.754 125.681 122.820 0.179 0.000 2.425 700 A HA 0.136 4.457 4.320 0.001 0.000 0.242 700 A C -2.154 175.640 177.584 0.350 0.000 1.077 700 A CA -1.219 50.914 52.037 0.159 0.000 0.781 700 A CB -0.367 18.632 19.000 -0.002 0.000 1.020 700 A HN 0.120 nan 8.150 nan 0.000 0.494 701 P HA 0.146 nan 4.420 nan 0.000 0.258 701 P C -0.930 176.840 177.300 0.784 0.000 1.563 701 P CA 0.990 64.457 63.100 0.612 0.000 1.241 701 P CB -0.468 31.483 31.700 0.418 0.000 1.811 702 I N 3.244 124.191 120.570 0.627 0.000 2.509 702 I HA 0.375 4.546 4.170 0.001 0.000 0.293 702 I C 0.137 176.327 176.117 0.122 0.000 1.020 702 I CA -1.029 60.501 61.300 0.384 0.000 1.088 702 I CB 2.398 40.604 38.000 0.343 0.000 1.267 702 I HN -0.004 nan 8.210 nan 0.000 0.430 703 L N 6.523 127.770 121.223 0.040 0.000 2.362 703 L HA 0.565 4.905 4.340 0.001 0.000 0.275 703 L C -1.041 175.883 176.870 0.090 0.000 0.998 703 L CA -0.696 54.104 54.840 -0.066 0.000 0.820 703 L CB 2.319 44.318 42.059 -0.100 0.000 1.270 703 L HN 0.448 nan 8.230 nan 0.000 0.415 704 L N 3.356 124.641 121.223 0.104 0.000 2.319 704 L HA 0.697 5.037 4.340 0.001 0.000 0.281 704 L C -0.049 176.773 176.870 -0.080 0.000 1.005 704 L CA -0.201 54.686 54.840 0.078 0.000 0.828 704 L CB 1.510 43.677 42.059 0.180 0.000 1.227 704 L HN 0.717 nan 8.230 nan 0.000 0.415 705 A N 6.054 128.723 122.820 -0.251 0.000 2.310 705 A HA 0.718 5.039 4.320 0.001 0.000 0.299 705 A C -0.899 176.460 177.584 -0.375 0.000 1.147 705 A CA -0.518 51.126 52.037 -0.654 0.000 0.818 705 A CB 0.699 19.265 19.000 -0.722 0.000 1.096 705 A HN 0.713 nan 8.150 nan 0.000 0.495 706 L N 2.229 123.167 121.223 -0.475 0.000 2.329 706 L HA 0.542 4.882 4.340 0.001 0.000 0.279 706 L C -0.923 175.896 176.870 -0.085 0.000 1.014 706 L CA -0.868 53.817 54.840 -0.258 0.000 0.814 706 L CB 1.966 43.760 42.059 -0.441 0.000 1.257 706 L HN 0.417 nan 8.230 nan 0.000 0.424 707 V N 2.556 122.501 119.914 0.052 0.000 2.350 707 V HA 0.738 4.858 4.120 0.001 0.000 0.285 707 V C 0.135 176.320 176.094 0.152 0.000 1.014 707 V CA -0.353 62.012 62.300 0.109 0.000 0.831 707 V CB 1.197 33.056 31.823 0.061 0.000 1.000 707 V HN 0.894 nan 8.190 nan 0.000 0.433 708 A N 3.554 126.468 122.820 0.157 0.000 2.389 708 A HA 1.038 5.359 4.320 0.001 0.000 0.293 708 A C 0.663 178.228 177.584 -0.033 0.000 1.186 708 A CA -0.016 52.071 52.037 0.083 0.000 0.828 708 A CB 1.147 20.212 19.000 0.109 0.000 1.369 708 A HN 1.989 nan 8.150 nan 0.000 0.446 709 G N -0.188 108.568 108.800 -0.074 0.000 2.578 709 G HA2 -0.243 3.718 3.960 0.001 0.000 0.275 709 G HA3 -0.243 3.718 3.960 0.001 0.000 0.275 709 G C 0.576 175.432 174.900 -0.074 0.000 1.271 709 G CA 0.533 45.570 45.100 -0.105 0.000 0.941 709 G HN 0.823 nan 8.290 nan 0.000 0.564 710 E N 0.141 120.299 120.200 -0.070 0.000 2.267 710 E HA -0.140 4.210 4.350 0.001 0.000 0.197 710 E C 2.872 179.459 176.600 -0.021 0.000 0.998 710 E CA 1.746 58.119 56.400 -0.045 0.000 0.830 710 E CB -0.587 29.089 29.700 -0.040 0.000 0.751 710 E HN 0.844 nan 8.360 nan 0.000 0.491 711 A N 1.537 124.349 122.820 -0.014 0.000 1.930 711 A HA -0.033 4.287 4.320 0.001 0.000 0.217 711 A C 2.471 180.064 177.584 0.016 0.000 1.175 711 A CA 1.678 53.720 52.037 0.010 0.000 0.627 711 A CB -0.514 18.502 19.000 0.026 0.000 0.815 711 A HN 0.273 nan 8.150 nan 0.000 0.443 712 A N -0.224 122.605 122.820 0.014 0.000 1.869 712 A HA -0.040 4.280 4.320 0.001 0.000 0.218 712 A C 2.468 180.065 177.584 0.022 0.000 1.203 712 A CA 2.334 54.388 52.037 0.027 0.000 0.638 712 A CB -1.576 17.436 19.000 0.021 0.000 0.831 712 A HN 0.827 nan 8.150 nan 0.000 0.450 713 G N -0.503 108.303 108.800 0.009 0.000 2.422 713 G HA2 -0.141 3.819 3.960 0.001 0.000 0.218 713 G HA3 -0.141 3.819 3.960 0.001 0.000 0.218 713 G C 1.520 176.426 174.900 0.010 0.000 1.146 713 G CA 1.150 46.257 45.100 0.011 0.000 0.769 713 G HN 0.520 nan 8.290 nan 0.000 0.547 714 I N 0.527 121.102 120.570 0.008 0.000 2.233 714 I HA -0.099 4.072 4.170 0.001 0.000 0.243 714 I C 2.768 178.891 176.117 0.010 0.000 1.093 714 I CA 0.712 62.017 61.300 0.009 0.000 1.380 714 I CB -0.207 37.798 38.000 0.010 0.000 1.067 714 I HN 0.071 nan 8.210 nan 0.000 0.413 715 M N 0.275 119.883 119.600 0.014 0.000 2.346 715 M HA -0.198 4.282 4.480 0.001 0.000 0.263 715 M C 1.909 178.211 176.300 0.003 0.000 1.064 715 M CA 1.536 56.844 55.300 0.012 0.000 1.083 715 M CB -0.946 31.665 32.600 0.019 0.000 1.399 715 M HN 0.330 nan 8.290 nan 0.000 0.435 716 E N 0.465 120.667 120.200 0.003 0.000 2.268 716 E HA -0.150 4.201 4.350 0.001 0.000 0.195 716 E C 1.003 177.595 176.600 -0.014 0.000 0.995 716 E CA 0.864 57.260 56.400 -0.008 0.000 0.836 716 E CB -0.234 29.465 29.700 -0.002 0.000 0.763 716 E HN 0.695 nan 8.360 nan 0.000 0.491 717 N N -0.042 118.653 118.700 -0.008 0.000 2.336 717 N HA 0.122 4.863 4.740 0.001 0.000 0.189 717 N C -0.057 175.448 175.510 -0.009 0.000 1.113 717 N CA -0.017 53.027 53.050 -0.010 0.000 0.858 717 N CB 0.599 39.083 38.487 -0.005 0.000 0.970 717 N HN 0.003 nan 8.380 nan 0.000 0.471 718 I N 1.138 121.704 120.570 -0.007 0.000 2.359 718 I HA 0.129 4.300 4.170 0.001 0.000 0.294 718 I C 0.492 176.601 176.117 -0.013 0.000 0.987 718 I CA -0.858 60.439 61.300 -0.005 0.000 1.225 718 I CB 1.311 39.312 38.000 0.002 0.000 1.366 718 I HN 0.082 nan 8.210 nan 0.000 0.466 719 S N 3.404 119.096 115.700 -0.013 0.000 2.576 719 S HA 0.031 4.502 4.470 0.001 0.000 0.272 719 S C 0.696 175.282 174.600 -0.023 0.000 1.352 719 S CA -0.580 57.608 58.200 -0.020 0.000 1.021 719 S CB 0.939 64.130 63.200 -0.016 0.000 0.887 719 S HN 0.570 nan 8.310 nan 0.000 0.542 720 D N 1.714 122.094 120.400 -0.034 0.000 2.106 720 D HA -0.131 4.510 4.640 0.001 0.000 0.191 720 D C 1.386 177.669 176.300 -0.029 0.000 0.997 720 D CA 1.897 55.872 54.000 -0.042 0.000 0.834 720 D CB -0.752 40.013 40.800 -0.059 0.000 0.956 720 D HN 0.720 nan 8.370 nan 0.000 0.448 721 D N 0.048 120.435 120.400 -0.022 0.000 2.116 721 D HA -0.130 4.510 4.640 0.001 0.000 0.193 721 D C 2.209 178.509 176.300 -0.000 0.000 0.998 721 D CA 0.696 54.689 54.000 -0.011 0.000 0.836 721 D CB -0.303 40.492 40.800 -0.009 0.000 0.951 721 D HN 0.085 nan 8.370 nan 0.000 0.449 722 V N 0.528 120.442 119.914 0.000 0.000 2.427 722 V HA -0.175 3.945 4.120 0.001 0.000 0.248 722 V C 2.336 178.439 176.094 0.015 0.000 1.051 722 V CA 1.043 63.349 62.300 0.009 0.000 1.048 722 V CB -0.375 31.452 31.823 0.008 0.000 0.666 722 V HN 0.230 nan 8.190 nan 0.000 0.456 723 I N -0.191 120.383 120.570 0.007 0.000 2.179 723 I HA -0.198 3.972 4.170 0.001 0.000 0.242 723 I C 2.383 178.515 176.117 0.024 0.000 1.088 723 I CA 1.304 62.611 61.300 0.011 0.000 1.357 723 I CB -0.450 37.547 38.000 -0.006 0.000 1.051 723 I HN 0.136 nan 8.210 nan 0.000 0.409 724 V N 1.158 121.081 119.914 0.015 0.000 2.407 724 V HA -0.227 3.893 4.120 0.001 0.000 0.248 724 V C 2.590 178.721 176.094 0.062 0.000 1.055 724 V CA 2.119 64.439 62.300 0.033 0.000 1.049 724 V CB -1.536 30.290 31.823 0.004 0.000 0.662 724 V HN 0.596 nan 8.190 nan 0.000 0.455 725 G N 0.043 108.869 108.800 0.044 0.000 2.446 725 G HA2 -0.236 3.724 3.960 0.001 0.000 0.217 725 G HA3 -0.236 3.724 3.960 0.001 0.000 0.217 725 G C 1.729 176.663 174.900 0.055 0.000 1.168 725 G CA 0.660 45.788 45.100 0.046 0.000 0.771 725 G HN 0.426 nan 8.290 nan 0.000 0.551 726 R N -0.412 120.120 120.500 0.054 0.000 2.096 726 R HA -0.065 4.275 4.340 0.001 0.000 0.235 726 R C 2.685 179.034 176.300 0.083 0.000 1.127 726 R CA 1.251 57.384 56.100 0.056 0.000 0.968 726 R CB -0.887 29.445 30.300 0.053 0.000 0.861 726 R HN 0.394 nan 8.270 nan 0.000 0.440 727 C N 0.977 120.353 119.300 0.128 0.000 2.413 727 C HA -0.077 4.383 4.460 0.001 0.000 0.276 727 C C 2.752 177.873 174.990 0.217 0.000 1.236 727 C CA 0.643 59.806 59.018 0.242 0.000 1.735 727 C CB -0.965 26.932 27.740 0.261 0.000 2.031 727 C HN 0.413 nan 8.230 nan 0.000 0.474 728 L N 1.044 122.367 121.223 0.167 0.000 2.056 728 L HA -0.125 4.216 4.340 0.001 0.000 0.207 728 L C 2.917 179.820 176.870 0.055 0.000 1.078 728 L CA 1.554 56.474 54.840 0.132 0.000 0.749 728 L CB -0.916 41.214 42.059 0.119 0.000 0.901 728 L HN 0.327 nan 8.230 nan 0.000 0.433 729 A N 0.519 123.364 122.820 0.040 0.000 1.908 729 A HA -0.210 4.110 4.320 0.001 0.000 0.218 729 A C 2.228 179.800 177.584 -0.021 0.000 1.181 729 A CA 1.759 53.801 52.037 0.009 0.000 0.627 729 A CB -0.706 18.304 19.000 0.016 0.000 0.818 729 A HN 0.351 nan 8.150 nan 0.000 0.445 730 I N -0.508 120.040 120.570 -0.036 0.000 2.179 730 I HA -0.253 3.918 4.170 0.001 0.000 0.242 730 I C 2.384 178.422 176.117 -0.132 0.000 1.088 730 I CA 1.176 62.404 61.300 -0.120 0.000 1.357 730 I CB -0.315 37.554 38.000 -0.218 0.000 1.051 730 I HN 0.284 nan 8.210 nan 0.000 0.409 731 L N 0.297 121.472 121.223 -0.080 0.000 2.083 731 L HA -0.217 4.123 4.340 0.001 0.000 0.209 731 L C 2.526 179.380 176.870 -0.027 0.000 1.083 731 L CA 1.441 56.274 54.840 -0.011 0.000 0.752 731 L CB -0.572 41.589 42.059 0.171 0.000 0.899 731 L HN 0.168 nan 8.230 nan 0.000 0.433 732 K N -0.012 120.353 120.400 -0.058 0.000 2.097 732 K HA -0.115 4.206 4.320 0.001 0.000 0.206 732 K C 2.065 178.605 176.600 -0.101 0.000 1.049 732 K CA 1.300 57.537 56.287 -0.082 0.000 0.933 732 K CB -0.439 32.022 32.500 -0.065 0.000 0.717 732 K HN 0.400 nan 8.250 nan 0.000 0.442 733 G N 0.591 109.325 108.800 -0.110 0.000 2.509 733 G HA2 -0.133 3.827 3.960 0.001 0.000 0.218 733 G HA3 -0.133 3.827 3.960 0.001 0.000 0.218 733 G C 1.343 176.115 174.900 -0.213 0.000 1.124 733 G CA 0.421 45.451 45.100 -0.117 0.000 0.776 733 G HN 0.138 nan 8.290 nan 0.000 0.547 734 I N -1.295 119.049 120.570 -0.376 0.000 2.685 734 I HA 0.201 4.371 4.170 0.001 0.000 0.251 734 I C 1.619 177.294 176.117 -0.736 0.000 1.102 734 I CA 0.335 61.183 61.300 -0.752 0.000 1.442 734 I CB 0.087 37.276 38.000 -1.351 0.000 1.194 734 I HN 0.019 nan 8.210 nan 0.000 0.448 735 F N 1.195 120.997 119.950 -0.246 0.000 2.776 735 F HA 0.432 4.960 4.527 0.001 0.000 0.300 735 F C 1.034 176.751 175.800 -0.138 0.000 1.116 735 F CA 0.105 58.010 58.000 -0.158 0.000 1.375 735 F CB -0.115 38.866 39.000 -0.031 0.000 1.109 735 F HN 0.085 nan 8.300 nan 0.000 0.585 736 G N -0.155 108.630 108.800 -0.025 0.000 2.885 736 G HA2 -0.129 3.832 3.960 0.001 0.000 0.685 736 G HA3 -0.129 3.832 3.960 0.001 0.000 0.685 736 G C 0.442 175.296 174.900 -0.077 0.000 1.216 736 G CA -0.354 44.717 45.100 -0.048 0.000 0.790 736 G HN -0.022 nan 8.290 nan 0.000 0.631 737 S N -0.047 115.611 115.700 -0.070 0.000 2.419 737 S HA -0.141 4.329 4.470 0.001 0.000 0.235 737 S C 2.512 177.059 174.600 -0.088 0.000 1.019 737 S CA 2.774 60.930 58.200 -0.073 0.000 0.982 737 S CB -0.182 62.988 63.200 -0.050 0.000 0.789 737 S HN 1.924 nan 8.310 nan 0.000 0.490 738 S N -0.077 115.571 115.700 -0.086 0.000 2.503 738 S HA 0.424 4.895 4.470 0.001 0.000 0.215 738 S C 1.792 176.311 174.600 -0.135 0.000 1.003 738 S CA 0.391 58.538 58.200 -0.090 0.000 0.910 738 S CB -0.012 63.153 63.200 -0.060 0.000 0.790 738 S HN 0.503 nan 8.310 nan 0.000 0.514 739 A N 1.322 124.039 122.820 -0.171 0.000 2.119 739 A HA 0.378 4.699 4.320 0.001 0.000 0.216 739 A C 0.835 178.071 177.584 -0.581 0.000 1.152 739 A CA 0.442 52.329 52.037 -0.250 0.000 0.708 739 A CB -0.317 18.596 19.000 -0.145 0.000 0.805 739 A HN 0.412 nan 8.150 nan 0.000 0.460 740 V N 3.001 122.551 119.914 -0.606 0.000 2.304 740 V HA 0.285 4.406 4.120 0.001 0.000 0.269 740 V C -2.271 173.602 176.094 -0.369 0.000 1.036 740 V CA -1.673 60.114 62.300 -0.857 0.000 0.840 740 V CB 0.750 32.177 31.823 -0.659 0.000 1.036 740 V HN 0.316 nan 8.190 nan 0.000 0.466 741 P HA 0.286 nan 4.420 nan 0.000 0.278 741 P C -0.651 176.766 177.300 0.195 0.000 1.258 741 P CA -0.709 62.395 63.100 0.007 0.000 0.811 741 P CB 0.840 32.583 31.700 0.071 0.000 1.063 742 Q N 1.497 121.395 119.800 0.163 0.000 2.300 742 Q HA 0.153 4.493 4.340 0.001 0.000 0.280 742 Q C -1.769 174.367 176.000 0.226 0.000 1.033 742 Q CA -1.047 54.862 55.803 0.176 0.000 0.903 742 Q CB -0.416 28.378 28.738 0.092 0.000 1.195 742 Q HN 0.380 nan 8.270 nan 0.000 0.386 743 P HA 0.054 nan 4.420 nan 0.000 0.271 743 P C 0.218 177.470 177.300 -0.080 0.000 1.216 743 P CA -0.166 62.859 63.100 -0.126 0.000 0.776 743 P CB 0.949 32.425 31.700 -0.373 0.000 0.881 744 K N 0.826 121.169 120.400 -0.096 0.000 2.243 744 K HA 0.068 4.388 4.320 0.001 0.000 0.201 744 K C 0.494 177.027 176.600 -0.111 0.000 1.051 744 K CA 1.127 57.386 56.287 -0.045 0.000 0.970 744 K CB 0.390 32.912 32.500 0.036 0.000 0.755 744 K HN 0.552 nan 8.250 nan 0.000 0.465 745 E N 0.656 120.716 120.200 -0.234 0.000 2.321 745 E HA 0.215 4.565 4.350 0.001 0.000 0.278 745 E C -0.947 175.475 176.600 -0.296 0.000 0.902 745 E CA -0.347 55.918 56.400 -0.225 0.000 0.758 745 E CB 2.345 31.916 29.700 -0.214 0.000 1.213 745 E HN 0.071 nan 8.360 nan 0.000 0.426 746 T N -1.752 112.641 114.554 -0.268 0.000 2.952 746 T HA 0.706 5.056 4.350 0.001 0.000 0.305 746 T C -0.529 173.962 174.700 -0.349 0.000 1.064 746 T CA -0.728 61.197 62.100 -0.291 0.000 1.008 746 T CB 1.341 70.091 68.868 -0.196 0.000 1.078 746 T HN 0.107 nan 8.240 nan 0.000 0.459 747 V N 2.183 121.853 119.914 -0.407 0.000 2.709 747 V HA 0.721 4.841 4.120 0.001 0.000 0.308 747 V C -0.706 175.231 176.094 -0.262 0.000 1.062 747 V CA -0.847 61.200 62.300 -0.421 0.000 0.901 747 V CB 2.063 33.450 31.823 -0.727 0.000 1.003 747 V HN 0.927 nan 8.190 nan 0.000 0.425 748 V N 3.241 123.035 119.914 -0.201 0.000 2.531 748 V HA 0.554 4.674 4.120 0.001 0.000 0.301 748 V C 0.224 176.228 176.094 -0.151 0.000 1.034 748 V CA -0.432 61.785 62.300 -0.139 0.000 0.865 748 V CB 2.292 34.052 31.823 -0.105 0.000 0.995 748 V HN 1.041 nan 8.190 nan 0.000 0.424 749 S N 5.298 120.922 115.700 -0.126 0.000 2.586 749 S HA 0.674 5.145 4.470 0.001 0.000 0.274 749 S C -0.170 174.314 174.600 -0.193 0.000 1.281 749 S CA -0.755 57.309 58.200 -0.226 0.000 1.035 749 S CB 1.138 64.246 63.200 -0.154 0.000 0.962 749 S HN 0.701 nan 8.310 nan 0.000 0.512 750 R N 1.592 121.898 120.500 -0.324 0.000 2.687 750 R HA 0.190 4.531 4.340 0.001 0.000 0.264 750 R C -0.532 175.659 176.300 -0.181 0.000 1.715 750 R CA -0.269 55.731 56.100 -0.167 0.000 1.633 750 R CB 0.129 30.352 30.300 -0.129 0.000 1.353 750 R HN 0.850 nan 8.270 nan 0.000 0.653 751 W N 0.500 121.809 121.300 0.015 0.000 2.363 751 W HA -0.122 4.539 4.660 0.001 0.000 0.296 751 W C 2.293 178.835 176.519 0.038 0.000 1.212 751 W CA 0.687 58.052 57.345 0.034 0.000 1.260 751 W CB 0.060 29.538 29.460 0.030 0.000 1.131 751 W HN 0.317 nan 8.180 nan 0.000 0.530 752 R N 0.978 121.602 120.500 0.207 0.000 2.075 752 R HA -0.058 4.282 4.340 0.001 0.000 0.232 752 R C 2.109 178.454 176.300 0.075 0.000 1.126 752 R CA 1.906 58.091 56.100 0.141 0.000 0.963 752 R CB -0.985 29.370 30.300 0.092 0.000 0.858 752 R HN 0.035 nan 8.270 nan 0.000 0.435 753 A N 0.214 123.045 122.820 0.019 0.000 2.066 753 A HA -0.037 4.284 4.320 0.001 0.000 0.218 753 A C 0.484 178.020 177.584 -0.079 0.000 1.157 753 A CA 0.632 52.647 52.037 -0.036 0.000 0.670 753 A CB -0.497 18.470 19.000 -0.055 0.000 0.804 753 A HN 0.369 nan 8.150 nan 0.000 0.453 754 D N 0.633 120.997 120.400 -0.060 0.000 2.389 754 D HA 0.064 4.704 4.640 0.001 0.000 0.263 754 D C -1.373 174.842 176.300 -0.142 0.000 1.255 754 D CA -1.750 52.188 54.000 -0.104 0.000 0.914 754 D CB 1.046 41.823 40.800 -0.038 0.000 1.116 754 D HN 0.150 nan 8.370 nan 0.000 0.502 755 P HA -0.110 nan 4.420 nan 0.000 0.222 755 P C 0.659 177.671 177.300 -0.479 0.000 1.147 755 P CA 1.001 63.748 63.100 -0.589 0.000 0.790 755 P CB -0.104 30.968 31.700 -1.046 0.000 0.780 756 W N -0.996 120.351 121.300 0.078 0.000 3.330 756 W HA 0.529 5.189 4.660 0.001 0.000 0.348 756 W C 1.615 178.229 176.519 0.158 0.000 1.205 756 W CA -0.071 57.331 57.345 0.095 0.000 1.841 756 W CB 0.086 29.597 29.460 0.086 0.000 1.084 756 W HN -0.007 nan 8.180 nan 0.000 0.665 757 A N -0.106 122.908 122.820 0.324 0.000 1.786 757 A HA 0.254 4.574 4.320 0.001 0.000 0.208 757 A C 1.434 179.233 177.584 0.359 0.000 1.787 757 A CA -0.174 52.104 52.037 0.401 0.000 1.125 757 A CB 0.219 19.592 19.000 0.621 0.000 1.082 757 A HN 0.006 nan 8.150 nan 0.000 0.534 758 R N -0.317 120.359 120.500 0.294 0.000 3.656 758 R HA -0.137 4.203 4.340 0.001 0.000 0.297 758 R C 0.442 177.020 176.300 0.463 0.000 1.166 758 R CA 1.079 57.331 56.100 0.253 0.000 0.799 758 R CB -2.403 27.967 30.300 0.116 0.000 1.285 758 R HN 2.049 nan 8.270 nan 0.000 0.477 759 G N -2.275 106.808 108.800 0.472 0.000 2.368 759 G HA2 0.071 4.032 3.960 0.001 0.000 0.302 759 G HA3 0.071 4.032 3.960 0.001 0.000 0.302 759 G C 0.361 175.244 174.900 -0.028 0.000 1.329 759 G CA 0.195 45.404 45.100 0.182 0.000 0.935 759 G HN 0.256 nan 8.290 nan 0.000 0.590 760 S N -1.101 114.322 115.700 -0.462 0.000 2.384 760 S HA 0.575 5.045 4.470 0.001 0.000 0.217 760 S C 0.708 175.033 174.600 -0.458 0.000 1.041 760 S CA 1.789 59.678 58.200 -0.518 0.000 0.948 760 S CB -0.173 62.673 63.200 -0.590 0.000 0.872 760 S HN 2.034 nan 8.310 nan 0.000 0.512 761 Y N 0.494 120.372 120.300 -0.702 0.000 2.713 761 Y HA 0.722 5.272 4.550 0.001 0.000 0.335 761 Y C -0.434 175.251 175.900 -0.358 0.000 1.222 761 Y CA -1.275 56.567 58.100 -0.430 0.000 1.061 761 Y CB 0.514 38.889 38.460 -0.142 0.000 1.314 761 Y HN 0.225 nan 8.280 nan 0.000 0.453 762 S N 0.939 116.829 115.700 0.317 0.000 2.592 762 S HA 0.639 5.109 4.470 0.001 0.000 0.271 762 S C -0.931 173.894 174.600 0.374 0.000 1.326 762 S CA -0.108 58.298 58.200 0.343 0.000 1.024 762 S CB 0.332 63.767 63.200 0.393 0.000 0.921 762 S HN 1.104 nan 8.310 nan 0.000 0.527 763 Y N -1.250 119.186 120.300 0.227 0.000 2.588 763 Y HA 0.691 5.242 4.550 0.000 0.000 0.343 763 Y C -1.176 174.877 175.900 0.254 0.000 1.065 763 Y CA -1.742 56.495 58.100 0.229 0.000 1.038 763 Y CB 0.687 39.225 38.460 0.129 0.000 1.297 763 Y HN 0.399 nan 8.280 nan 0.000 0.467 764 V N 3.211 123.386 119.914 0.434 0.000 2.352 764 V HA 0.538 4.658 4.120 0.001 0.000 0.253 764 V C 0.704 177.009 176.094 0.351 0.000 1.083 764 V CA -0.087 62.417 62.300 0.340 0.000 0.993 764 V CB -0.738 31.309 31.823 0.373 0.000 1.111 764 V HN 0.946 nan 8.190 nan 0.000 0.490 765 A N 4.545 127.441 122.820 0.127 0.000 2.332 765 A HA 0.742 5.063 4.320 0.001 0.000 0.258 765 A C 0.835 178.525 177.584 0.178 0.000 1.087 765 A CA 0.047 52.209 52.037 0.207 0.000 0.802 765 A CB 0.440 19.440 19.000 -0.001 0.000 1.042 765 A HN 1.230 nan 8.150 nan 0.000 0.489 766 A N 0.186 123.106 122.820 0.167 0.000 2.524 766 A HA 0.490 4.810 4.320 0.001 0.000 0.250 766 A C 1.463 179.093 177.584 0.076 0.000 1.078 766 A CA 0.750 52.850 52.037 0.106 0.000 0.761 766 A CB -0.861 18.177 19.000 0.063 0.000 1.012 766 A HN 2.709 nan 8.150 nan 0.000 0.500 767 G N 0.898 109.744 108.800 0.077 0.000 2.179 767 G HA2 -0.123 3.837 3.960 0.001 0.000 0.220 767 G HA3 -0.123 3.837 3.960 0.001 0.000 0.220 767 G C 0.502 175.436 174.900 0.056 0.000 0.990 767 G CA 0.632 45.764 45.100 0.053 0.000 0.646 767 G HN 1.704 nan 8.290 nan 0.000 0.517 768 S N -0.738 115.011 115.700 0.083 0.000 2.759 768 S HA 0.934 5.404 4.470 0.001 0.000 0.310 768 S C 0.178 174.835 174.600 0.094 0.000 1.123 768 S CA 1.064 59.295 58.200 0.052 0.000 0.959 768 S CB 1.976 65.179 63.200 0.006 0.000 1.172 768 S HN 1.977 nan 8.310 nan 0.000 0.539 769 S N -0.481 115.226 115.700 0.011 0.000 2.672 769 S HA 0.535 5.005 4.470 0.001 0.000 0.271 769 S C 0.879 175.484 174.600 0.009 0.000 1.171 769 S CA -0.158 57.948 58.200 -0.156 0.000 0.817 769 S CB 0.499 63.458 63.200 -0.402 0.000 1.150 769 S HN 1.127 nan 8.310 nan 0.000 0.478 770 G N 0.850 109.609 108.800 -0.069 0.000 2.509 770 G HA2 -0.151 3.809 3.960 0.001 0.000 0.218 770 G HA3 -0.151 3.809 3.960 0.001 0.000 0.218 770 G C 1.111 176.082 174.900 0.119 0.000 1.124 770 G CA 0.747 45.893 45.100 0.077 0.000 0.776 770 G HN 0.814 nan 8.290 nan 0.000 0.547 771 N N 0.743 119.453 118.700 0.017 0.000 2.244 771 N HA -0.111 4.629 4.740 0.001 0.000 0.183 771 N C 1.204 176.734 175.510 0.033 0.000 1.016 771 N CA 1.013 54.069 53.050 0.010 0.000 0.866 771 N CB -0.092 38.377 38.487 -0.029 0.000 0.980 771 N HN 0.099 nan 8.380 nan 0.000 0.430 772 D N -0.022 120.391 120.400 0.022 0.000 2.178 772 D HA -0.133 4.507 4.640 0.001 0.000 0.201 772 D C 1.420 177.670 176.300 -0.084 0.000 0.980 772 D CA 0.895 54.861 54.000 -0.058 0.000 0.842 772 D CB -0.355 40.358 40.800 -0.145 0.000 0.948 772 D HN 0.432 nan 8.370 nan 0.000 0.472 773 Y N 1.207 121.488 120.300 -0.032 0.000 2.242 773 Y HA -0.132 4.418 4.550 0.001 0.000 0.291 773 Y C 2.219 178.100 175.900 -0.032 0.000 1.137 773 Y CA 0.905 58.987 58.100 -0.030 0.000 1.181 773 Y CB -0.060 38.375 38.460 -0.043 0.000 0.989 773 Y HN -0.095 nan 8.280 nan 0.000 0.527 774 D N -0.021 120.453 120.400 0.122 0.000 2.117 774 D HA -0.139 4.501 4.640 0.001 0.000 0.198 774 D C 2.196 178.523 176.300 0.045 0.000 0.982 774 D CA 1.079 55.114 54.000 0.058 0.000 0.828 774 D CB -0.327 40.486 40.800 0.022 0.000 0.967 774 D HN 0.301 nan 8.370 nan 0.000 0.464 775 L N 0.115 121.364 121.223 0.043 0.000 2.083 775 L HA -0.138 4.202 4.340 0.001 0.000 0.209 775 L C 2.405 179.340 176.870 0.108 0.000 1.083 775 L CA 0.641 55.543 54.840 0.103 0.000 0.752 775 L CB -0.254 41.879 42.059 0.124 0.000 0.899 775 L HN 0.041 nan 8.230 nan 0.000 0.433 776 M N -0.684 118.908 119.600 -0.013 0.000 2.296 776 M HA -0.108 4.372 4.480 0.001 0.000 0.265 776 M C 2.376 178.628 176.300 -0.080 0.000 1.064 776 M CA 1.562 56.788 55.300 -0.123 0.000 1.109 776 M CB -1.182 31.361 32.600 -0.095 0.000 1.396 776 M HN 0.265 nan 8.290 nan 0.000 0.430 777 A N -0.817 122.023 122.820 0.033 0.000 2.072 777 A HA -0.008 4.312 4.320 0.001 0.000 0.216 777 A C 1.098 178.787 177.584 0.175 0.000 1.156 777 A CA 0.252 52.353 52.037 0.106 0.000 0.701 777 A CB -0.188 18.864 19.000 0.086 0.000 0.816 777 A HN 0.349 nan 8.150 nan 0.000 0.458 778 Q N 1.243 121.142 119.800 0.165 0.000 2.274 778 Q HA 0.175 4.516 4.340 0.001 0.000 0.280 778 Q C -2.340 173.836 176.000 0.293 0.000 1.047 778 Q CA -1.835 54.087 55.803 0.197 0.000 0.907 778 Q CB 0.354 29.175 28.738 0.139 0.000 1.171 778 Q HN 0.372 nan 8.270 nan 0.000 0.381 779 P HA 0.157 nan 4.420 nan 0.000 0.272 779 P C -0.349 176.962 177.300 0.017 0.000 1.230 779 P CA -0.232 62.852 63.100 -0.028 0.000 0.788 779 P CB 0.893 32.392 31.700 -0.336 0.000 0.949 780 I N 1.515 122.001 120.570 -0.139 0.000 2.354 780 I HA 0.223 4.394 4.170 0.001 0.000 0.292 780 I C 0.521 176.561 176.117 -0.129 0.000 0.989 780 I CA -0.176 61.074 61.300 -0.084 0.000 1.188 780 I CB 0.879 38.733 38.000 -0.243 0.000 1.342 780 I HN 0.184 nan 8.210 nan 0.000 0.457 781 T N 7.714 122.283 114.554 0.024 0.000 2.756 781 T HA 0.405 4.755 4.350 0.001 0.000 0.290 781 T C -2.132 172.656 174.700 0.147 0.000 0.985 781 T CA -1.107 61.026 62.100 0.054 0.000 0.955 781 T CB 1.386 70.280 68.868 0.044 0.000 0.930 781 T HN 0.417 nan 8.240 nan 0.000 0.451 782 P HA 0.311 nan 4.420 nan 0.000 0.274 782 P C 0.468 177.837 177.300 0.116 0.000 1.246 782 P CA -0.359 62.875 63.100 0.223 0.000 0.795 782 P CB 0.577 32.420 31.700 0.239 0.000 1.006 783 G N 1.191 110.036 108.800 0.076 0.000 2.599 783 G HA2 0.399 4.360 3.960 0.001 0.000 0.264 783 G HA3 0.399 4.360 3.960 0.001 0.000 0.264 783 G C -2.328 172.595 174.900 0.038 0.000 1.200 783 G CA -1.015 44.114 45.100 0.049 0.000 0.896 783 G HN 0.424 nan 8.290 nan 0.000 0.536 784 P HA 0.197 nan 4.420 nan 0.000 0.275 784 P C 0.560 177.870 177.300 0.017 0.000 1.228 784 P CA -0.280 62.835 63.100 0.025 0.000 0.786 784 P CB 1.736 33.448 31.700 0.020 0.000 0.927 785 S N 1.106 116.816 115.700 0.017 0.000 2.377 785 S HA 0.049 4.519 4.470 0.001 0.000 0.223 785 S C 1.105 175.710 174.600 0.008 0.000 1.030 785 S CA 0.682 58.888 58.200 0.010 0.000 0.970 785 S CB -0.333 62.875 63.200 0.013 0.000 0.830 785 S HN 0.431 nan 8.310 nan 0.000 0.473 786 I N 3.382 123.958 120.570 0.010 0.000 2.336 786 I HA 0.277 4.447 4.170 0.001 0.000 0.292 786 I C -2.408 173.714 176.117 0.008 0.000 0.991 786 I CA -2.630 58.675 61.300 0.008 0.000 1.227 786 I CB 1.414 39.419 38.000 0.009 0.000 1.366 786 I HN -0.011 nan 8.210 nan 0.000 0.466 787 P HA 0.067 nan 4.420 nan 0.000 0.267 787 P C 0.722 178.025 177.300 0.006 0.000 1.205 787 P CA 0.471 63.575 63.100 0.006 0.000 0.765 787 P CB 0.840 32.543 31.700 0.004 0.000 0.828 788 G N 1.621 110.425 108.800 0.006 0.000 2.175 788 G HA2 -0.108 3.852 3.960 0.001 0.000 0.244 788 G HA3 -0.108 3.852 3.960 0.001 0.000 0.244 788 G C 0.327 175.230 174.900 0.006 0.000 0.982 788 G CA 0.022 45.125 45.100 0.005 0.000 0.641 788 G HN 0.885 nan 8.290 nan 0.000 0.527 789 A N 0.976 123.801 122.820 0.008 0.000 2.322 789 A HA 0.761 5.081 4.320 0.001 0.000 0.269 789 A C -0.866 176.723 177.584 0.009 0.000 1.094 789 A CA -0.631 51.412 52.037 0.009 0.000 0.807 789 A CB 0.294 19.301 19.000 0.012 0.000 1.047 789 A HN 0.331 nan 8.150 nan 0.000 0.487 790 P HA 0.083 nan 4.420 nan 0.000 0.268 790 P C -0.500 176.805 177.300 0.008 0.000 1.208 790 P CA -0.187 62.916 63.100 0.005 0.000 0.777 790 P CB 0.307 32.008 31.700 0.001 0.000 0.875 791 Q N 3.218 123.021 119.800 0.005 0.000 2.362 791 Q HA 0.052 4.392 4.340 0.001 0.000 0.305 791 Q C -2.027 173.979 176.000 0.011 0.000 1.120 791 Q CA -0.490 55.319 55.803 0.009 0.000 1.011 791 Q CB -0.788 27.951 28.738 0.002 0.000 1.048 791 Q HN 0.286 nan 8.270 nan 0.000 0.386 792 P HA 0.114 nan 4.420 nan 0.000 0.273 792 P C -0.766 176.547 177.300 0.023 0.000 1.250 792 P CA -0.414 62.705 63.100 0.032 0.000 0.793 792 P CB 0.501 32.234 31.700 0.055 0.000 1.011 793 I N 1.219 121.805 120.570 0.025 0.000 2.696 793 I HA 0.154 4.324 4.170 0.001 0.000 0.284 793 I C -2.004 174.139 176.117 0.043 0.000 1.129 793 I CA -1.817 59.481 61.300 -0.003 0.000 1.410 793 I CB -0.449 37.535 38.000 -0.027 0.000 1.399 793 I HN 0.238 nan 8.210 nan 0.000 0.579 794 P HA 0.111 nan 4.420 nan 0.000 0.264 794 P C -0.012 177.308 177.300 0.033 0.000 1.193 794 P CA -0.055 63.007 63.100 -0.064 0.000 0.763 794 P CB 0.588 32.195 31.700 -0.155 0.000 0.810 795 R N 1.766 122.224 120.500 -0.070 0.000 2.310 795 R HA 0.233 4.574 4.340 0.001 0.000 0.199 795 R C 0.055 176.300 176.300 -0.092 0.000 0.891 795 R CA 0.048 56.214 56.100 0.110 0.000 1.060 795 R CB -0.147 30.268 30.300 0.191 0.000 1.188 795 R HN 0.323 nan 8.270 nan 0.000 0.607 796 L N 1.512 122.453 121.223 -0.471 0.000 2.287 796 L HA 0.486 4.826 4.340 0.001 0.000 0.287 796 L C -1.189 175.224 176.870 -0.762 0.000 1.022 796 L CA -0.528 53.987 54.840 -0.541 0.000 0.814 796 L CB 0.710 42.329 42.059 -0.734 0.000 1.217 796 L HN -0.200 nan 8.230 nan 0.000 0.420 797 F N 4.526 124.240 119.950 -0.394 0.000 2.556 797 F HA 0.647 5.175 4.527 0.001 0.000 0.327 797 F C -0.603 174.860 175.800 -0.561 0.000 1.059 797 F CA -0.433 57.398 58.000 -0.281 0.000 0.953 797 F CB 1.622 40.568 39.000 -0.089 0.000 1.227 797 F HN 0.194 nan 8.300 nan 0.000 0.478 798 F N 1.108 121.155 119.950 0.162 0.000 2.547 798 F HA 0.755 5.282 4.527 0.001 0.000 0.316 798 F C -0.031 175.794 175.800 0.042 0.000 1.121 798 F CA -0.742 57.304 58.000 0.077 0.000 0.911 798 F CB 1.751 40.763 39.000 0.021 0.000 1.179 798 F HN 0.590 nan 8.300 nan 0.000 0.443 799 A N 1.812 124.736 122.820 0.172 0.000 2.485 799 A HA 1.018 5.338 4.320 0.001 0.000 0.292 799 A C -0.272 177.305 177.584 -0.011 0.000 1.147 799 A CA -0.432 51.640 52.037 0.058 0.000 0.750 799 A CB 1.776 20.803 19.000 0.045 0.000 1.331 799 A HN 1.594 nan 8.150 nan 0.000 0.419 800 G N -0.608 108.154 108.800 -0.064 0.000 2.335 800 G HA2 0.281 4.242 3.960 0.001 0.000 0.592 800 G HA3 0.281 4.242 3.960 0.001 0.000 0.592 800 G C 0.341 175.180 174.900 -0.102 0.000 1.442 800 G CA 0.353 45.422 45.100 -0.052 0.000 0.976 800 G HN 1.111 nan 8.290 nan 0.000 0.652 801 E N 0.216 120.466 120.200 0.084 0.000 2.147 801 E HA -0.295 4.055 4.350 0.001 0.000 0.199 801 E C 1.774 178.483 176.600 0.181 0.000 1.005 801 E CA 2.180 58.651 56.400 0.119 0.000 0.810 801 E CB -0.373 29.422 29.700 0.159 0.000 0.736 801 E HN 0.840 nan 8.360 nan 0.000 0.460 802 H N -0.028 119.151 119.070 0.181 0.000 2.563 802 H HA 0.061 4.617 4.556 0.001 0.000 0.272 802 H C 1.268 176.696 175.328 0.166 0.000 1.005 802 H CA 1.379 57.534 56.048 0.179 0.000 1.171 802 H CB -0.523 29.270 29.762 0.051 0.000 1.351 802 H HN 0.237 nan 8.280 nan 0.000 0.602 803 T N -2.055 112.392 114.554 -0.179 0.000 3.044 803 T HA 0.262 4.613 4.350 0.001 0.000 0.260 803 T C 0.531 175.269 174.700 0.062 0.000 1.019 803 T CA -0.442 61.610 62.100 -0.080 0.000 0.921 803 T CB -0.240 68.522 68.868 -0.178 0.000 1.053 803 T HN 0.253 nan 8.240 nan 0.000 0.533 804 I N 2.185 122.815 120.570 0.101 0.000 2.405 804 I HA 0.454 4.624 4.170 0.001 0.000 0.280 804 I C 1.383 177.449 176.117 -0.085 0.000 1.027 804 I CA -1.286 60.039 61.300 0.042 0.000 1.161 804 I CB 1.095 39.133 38.000 0.063 0.000 1.300 804 I HN 0.009 nan 8.210 nan 0.000 0.463 805 R N 4.777 125.187 120.500 -0.151 0.000 2.096 805 R HA -0.200 4.140 4.340 0.001 0.000 0.240 805 R C 0.881 176.834 176.300 -0.577 0.000 1.139 805 R CA 2.343 58.200 56.100 -0.405 0.000 0.952 805 R CB 0.000 30.171 30.300 -0.215 0.000 0.854 805 R HN 0.621 nan 8.270 nan 0.000 0.436 806 N N -0.731 117.576 118.700 -0.655 0.000 2.409 806 N HA -0.084 4.657 4.740 0.001 0.000 0.179 806 N C -0.218 174.595 175.510 -1.162 0.000 1.032 806 N CA 0.970 53.302 53.050 -1.197 0.000 0.898 806 N CB 0.273 37.650 38.487 -1.851 0.000 0.971 806 N HN 0.372 nan 8.380 nan 0.000 0.441 807 Y N -0.330 119.816 120.300 -0.257 0.000 2.577 807 Y HA 0.390 4.941 4.550 0.001 0.000 0.307 807 Y C -2.339 173.472 175.900 -0.149 0.000 0.940 807 Y CA -2.125 55.901 58.100 -0.124 0.000 1.132 807 Y CB 0.644 39.139 38.460 0.058 0.000 1.184 807 Y HN -0.038 nan 8.280 nan 0.000 0.611 808 P HA 0.184 nan 4.420 nan 0.000 0.279 808 P C 0.577 177.858 177.300 -0.032 0.000 1.282 808 P CA 0.344 63.425 63.100 -0.031 0.000 0.788 808 P CB 1.224 32.875 31.700 -0.081 0.000 1.139 809 A N -1.542 121.299 122.820 0.036 0.000 2.771 809 A HA -0.140 4.181 4.320 0.001 0.000 0.294 809 A C 0.577 177.929 177.584 -0.387 0.000 1.500 809 A CA 1.679 53.652 52.037 -0.106 0.000 0.829 809 A CB -2.848 16.158 19.000 0.011 0.000 0.998 809 A HN 0.898 nan 8.150 nan 0.000 0.526 810 T N -6.042 108.324 114.554 -0.313 0.000 2.812 810 T HA 0.655 5.006 4.350 0.001 0.000 0.294 810 T C 0.782 175.261 174.700 -0.367 0.000 1.159 810 T CA -0.138 61.694 62.100 -0.446 0.000 1.008 810 T CB 1.533 69.925 68.868 -0.792 0.000 1.289 810 T HN 0.680 nan 8.240 nan 0.000 0.514 811 V N 1.456 121.170 119.914 -0.334 0.000 2.379 811 V HA -0.094 4.027 4.120 0.001 0.000 0.243 811 V C 2.731 178.755 176.094 -0.116 0.000 1.035 811 V CA 1.873 64.059 62.300 -0.190 0.000 1.035 811 V CB -1.247 30.490 31.823 -0.142 0.000 0.673 811 V HN 1.044 nan 8.190 nan 0.000 0.457 812 H N 0.506 119.602 119.070 0.044 0.000 2.387 812 H HA -0.097 4.459 4.556 0.001 0.000 0.299 812 H C 2.356 177.674 175.328 -0.017 0.000 1.099 812 H CA 1.772 57.838 56.048 0.031 0.000 1.315 812 H CB -0.876 28.947 29.762 0.102 0.000 1.380 812 H HN 0.393 nan 8.280 nan 0.000 0.513 813 G N 1.093 109.800 108.800 -0.155 0.000 2.421 813 G HA2 -0.201 3.759 3.960 0.001 0.000 0.216 813 G HA3 -0.201 3.759 3.960 0.001 0.000 0.216 813 G C 2.069 176.960 174.900 -0.015 0.000 1.171 813 G CA 1.651 46.747 45.100 -0.007 0.000 0.775 813 G HN 0.650 nan 8.290 nan 0.000 0.543 814 A N 0.849 123.640 122.820 -0.049 0.000 1.858 814 A HA 0.012 4.333 4.320 0.001 0.000 0.216 814 A C 2.359 179.935 177.584 -0.013 0.000 1.190 814 A CA 1.593 53.618 52.037 -0.020 0.000 0.617 814 A CB -0.627 18.358 19.000 -0.025 0.000 0.827 814 A HN 0.359 nan 8.150 nan 0.000 0.443 815 L N -0.069 121.147 121.223 -0.012 0.000 2.013 815 L HA -0.190 4.150 4.340 0.001 0.000 0.212 815 L C 2.375 179.221 176.870 -0.040 0.000 1.073 815 L CA 2.240 57.077 54.840 -0.004 0.000 0.753 815 L CB -1.068 41.009 42.059 0.030 0.000 0.890 815 L HN 0.480 nan 8.230 nan 0.000 0.432 816 L N -0.013 121.179 121.223 -0.053 0.000 2.083 816 L HA -0.195 4.145 4.340 0.001 0.000 0.209 816 L C 2.841 179.686 176.870 -0.042 0.000 1.083 816 L CA 1.393 56.182 54.840 -0.085 0.000 0.752 816 L CB -0.556 41.444 42.059 -0.099 0.000 0.899 816 L HN 0.441 nan 8.230 nan 0.000 0.433 817 S N -0.286 115.407 115.700 -0.013 0.000 2.402 817 S HA -0.108 4.362 4.470 0.001 0.000 0.229 817 S C 2.073 176.671 174.600 -0.002 0.000 1.021 817 S CA 0.944 59.145 58.200 0.002 0.000 0.974 817 S CB -0.896 62.304 63.200 -0.000 0.000 0.800 817 S HN 0.418 nan 8.310 nan 0.000 0.484 818 G N 1.992 110.783 108.800 -0.014 0.000 2.402 818 G HA2 0.013 3.973 3.960 0.001 0.000 0.216 818 G HA3 0.013 3.973 3.960 0.001 0.000 0.216 818 G C 1.479 176.359 174.900 -0.033 0.000 1.162 818 G CA 0.819 45.907 45.100 -0.020 0.000 0.777 818 G HN 0.506 nan 8.290 nan 0.000 0.539 819 L N -0.132 121.061 121.223 -0.051 0.000 2.083 819 L HA -0.033 4.307 4.340 0.001 0.000 0.209 819 L C 2.917 179.761 176.870 -0.043 0.000 1.083 819 L CA 1.146 55.947 54.840 -0.066 0.000 0.752 819 L CB -0.437 41.537 42.059 -0.142 0.000 0.899 819 L HN 0.205 nan 8.230 nan 0.000 0.433 820 R N 0.369 120.853 120.500 -0.027 0.000 2.070 820 R HA -0.173 4.167 4.340 0.001 0.000 0.233 820 R C 2.209 178.508 176.300 -0.002 0.000 1.137 820 R CA 1.521 57.621 56.100 0.000 0.000 0.945 820 R CB -0.011 30.307 30.300 0.030 0.000 0.845 820 R HN 0.253 nan 8.270 nan 0.000 0.430 821 E N 0.522 120.726 120.200 0.007 0.000 2.110 821 E HA -0.142 4.208 4.350 0.001 0.000 0.193 821 E C 1.882 178.437 176.600 -0.076 0.000 0.988 821 E CA 1.269 57.664 56.400 -0.009 0.000 0.804 821 E CB -0.406 29.302 29.700 0.014 0.000 0.745 821 E HN 0.471 nan 8.360 nan 0.000 0.458 822 A N 1.061 123.856 122.820 -0.041 0.000 1.908 822 A HA -0.122 4.199 4.320 0.001 0.000 0.218 822 A C 2.496 180.141 177.584 0.102 0.000 1.181 822 A CA 2.115 54.157 52.037 0.010 0.000 0.627 822 A CB -1.119 17.885 19.000 0.007 0.000 0.818 822 A HN 0.349 nan 8.150 nan 0.000 0.445 823 G N -0.620 108.197 108.800 0.029 0.000 2.402 823 G HA2 -0.223 3.738 3.960 0.001 0.000 0.216 823 G HA3 -0.223 3.738 3.960 0.001 0.000 0.216 823 G C 1.715 176.521 174.900 -0.158 0.000 1.162 823 G CA 1.082 46.105 45.100 -0.128 0.000 0.777 823 G HN 0.621 nan 8.290 nan 0.000 0.539 824 R N 0.093 120.531 120.500 -0.104 0.000 2.075 824 R HA 0.084 4.424 4.340 0.001 0.000 0.232 824 R C 2.413 178.661 176.300 -0.087 0.000 1.126 824 R CA 1.148 57.218 56.100 -0.049 0.000 0.963 824 R CB -0.378 29.952 30.300 0.050 0.000 0.858 824 R HN 0.400 nan 8.270 nan 0.000 0.435 825 I N 0.772 121.213 120.570 -0.215 0.000 2.202 825 I HA -0.190 3.980 4.170 0.001 0.000 0.242 825 I C 2.558 178.700 176.117 0.042 0.000 1.091 825 I CA 1.254 62.400 61.300 -0.258 0.000 1.368 825 I CB -0.374 37.346 38.000 -0.465 0.000 1.058 825 I HN 0.346 nan 8.210 nan 0.000 0.410 826 A N 0.376 123.208 122.820 0.021 0.000 1.908 826 A HA -0.265 4.056 4.320 0.001 0.000 0.218 826 A C 1.962 179.531 177.584 -0.025 0.000 1.181 826 A CA 2.178 54.236 52.037 0.034 0.000 0.627 826 A CB -0.673 18.302 19.000 -0.041 0.000 0.818 826 A HN 0.339 nan 8.150 nan 0.000 0.445 827 D N -1.128 119.228 120.400 -0.073 0.000 2.149 827 D HA -0.159 4.481 4.640 0.001 0.000 0.198 827 D C 2.104 178.352 176.300 -0.088 0.000 0.990 827 D CA 1.781 55.732 54.000 -0.082 0.000 0.839 827 D CB -0.212 40.547 40.800 -0.069 0.000 0.948 827 D HN 0.565 nan 8.370 nan 0.000 0.460 828 Q N -0.641 119.108 119.800 -0.086 0.000 2.096 828 Q HA -0.013 4.327 4.340 0.001 0.000 0.197 828 Q C 1.371 177.142 176.000 -0.382 0.000 0.964 828 Q CA 1.281 56.943 55.803 -0.234 0.000 0.838 828 Q CB -0.322 28.270 28.738 -0.244 0.000 0.906 828 Q HN 0.289 nan 8.270 nan 0.000 0.444 829 F N -1.046 118.892 119.950 -0.019 0.000 2.727 829 F HA 0.284 4.811 4.527 0.001 0.000 0.302 829 F C 1.059 176.851 175.800 -0.014 0.000 1.097 829 F CA 0.157 58.153 58.000 -0.007 0.000 1.330 829 F CB 0.622 39.619 39.000 -0.005 0.000 1.084 829 F HN 0.008 nan 8.300 nan 0.000 0.578 830 L N -1.166 120.110 121.223 0.089 0.000 2.993 830 L HA 0.474 4.815 4.340 0.001 0.000 0.264 830 L C 0.731 177.592 176.870 -0.014 0.000 1.154 830 L CA 0.083 54.950 54.840 0.044 0.000 0.972 830 L CB 0.298 42.380 42.059 0.039 0.000 1.373 830 L HN 0.069 nan 8.230 nan 0.000 0.564 831 G N 1.356 110.125 108.800 -0.052 0.000 2.716 831 G HA2 0.016 3.977 3.960 0.001 0.000 0.686 831 G HA3 0.016 3.977 3.960 0.001 0.000 0.686 831 G C -0.432 174.393 174.900 -0.124 0.000 1.337 831 G CA -0.350 44.694 45.100 -0.093 0.000 0.829 831 G HN 0.360 nan 8.290 nan 0.000 0.599 832 A N 2.796 125.486 122.820 -0.216 0.000 2.394 832 A HA 0.660 4.980 4.320 0.001 0.000 0.333 832 A C 1.307 178.636 177.584 -0.424 0.000 1.397 832 A CA -0.089 51.701 52.037 -0.412 0.000 0.884 832 A CB 0.457 19.043 19.000 -0.690 0.000 1.147 832 A HN 0.786 nan 8.150 nan 0.000 0.505 833 M N 1.334 120.806 119.600 -0.214 0.000 2.296 833 M HA -0.092 4.388 4.480 0.001 0.000 0.265 833 M C 1.584 177.806 176.300 -0.131 0.000 1.064 833 M CA 1.611 56.830 55.300 -0.134 0.000 1.109 833 M CB -1.011 31.561 32.600 -0.047 0.000 1.396 833 M HN 1.017 nan 8.290 nan 0.000 0.430 834 Y N 0.344 120.597 120.300 -0.079 0.000 2.583 834 Y HA 0.158 4.709 4.550 0.001 0.000 0.293 834 Y C 1.277 177.038 175.900 -0.232 0.000 1.157 834 Y CA 0.078 58.117 58.100 -0.101 0.000 1.315 834 Y CB -1.494 36.958 38.460 -0.013 0.000 1.021 834 Y HN 0.151 nan 8.280 nan 0.000 0.536 835 T N 0.000 114.237 114.554 -0.529 0.000 3.816 835 T HA 0.000 4.350 4.350 0.001 0.000 0.228 835 T CA 0.000 61.846 62.100 -0.422 0.000 1.349 835 T CB 0.000 68.595 68.868 -0.455 0.000 0.612 835 T HN 0.000 nan 8.240 nan 0.000 0.658