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 3h62_1_C DATA FIRST_RESID 176 DATA SEQUENCE YSGPKLEDGK VTISFMKELM QWYKDQKKLH RKCAYQILVQ VKEVLSKLST DATA SEQUENCE LVETTLKETE KITVCGDTHG QFYDLLNIFE LNGLPSETNP YIFNGDFVDR DATA SEQUENCE GSFSVEVILT LFGFKLLYPD HFHLLRGNHE TDNMNQIYGF EGEVKAKYTA DATA SEQUENCE QMYELFSEVF EWLPLAQCIN GKVLIMHGGL FSEDGVTLDD IRKIERNRQP DATA SEQUENCE PDSGPMCDLL WSDPQPQNGR SISKRGVSCQ FGPDVTKAFL EENNLDYIIR DATA SEQUENCE SHEVKAEGYE VAHGGRCVTV FSAPNYCDQM GNKASYIHLQ GSDLRPQFHQ DATA SEQUENCE FTAVPHPNVK PMAYA 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 176 Y HA 0.000 nan 4.550 nan 0.000 0.201 176 Y C 0.000 175.934 175.900 0.057 0.000 1.272 176 Y CA 0.000 58.177 58.100 0.129 0.000 1.940 176 Y CB 0.000 38.557 38.460 0.161 0.000 1.050 177 S N 2.100 117.555 115.700 -0.408 0.000 2.650 177 S HA 0.515 4.985 4.470 -0.000 0.000 0.240 177 S C 0.592 174.706 174.600 -0.811 0.000 1.007 177 S CA 0.035 58.012 58.200 -0.371 0.000 0.984 177 S CB 0.540 63.700 63.200 -0.068 0.000 0.910 177 S HN 0.943 nan 8.310 nan 0.000 0.509 178 G N 1.944 109.668 108.800 -1.793 0.000 2.525 178 G HA2 0.587 4.547 3.960 -0.000 0.000 0.287 178 G HA3 0.587 4.547 3.960 -0.000 0.000 0.287 178 G C -3.067 171.120 174.900 -1.187 0.000 1.350 178 G CA -2.026 41.631 45.100 -2.406 0.000 1.039 178 G HN 0.201 nan 8.290 nan 0.000 0.513 179 P HA 0.219 nan 4.420 nan 0.000 0.268 179 P C -0.685 176.676 177.300 0.102 0.000 1.204 179 P CA 0.355 63.209 63.100 -0.411 0.000 0.768 179 P CB 0.602 31.880 31.700 -0.703 0.000 0.842 180 K N 2.479 122.999 120.400 0.200 0.000 2.371 180 K HA 0.450 4.770 4.320 -0.000 0.000 0.251 180 K C -0.247 176.430 176.600 0.127 0.000 0.934 180 K CA -0.909 55.489 56.287 0.185 0.000 0.798 180 K CB 1.656 34.196 32.500 0.068 0.000 1.204 180 K HN 0.332 nan 8.250 nan 0.000 0.427 181 L N 2.028 123.152 121.223 -0.165 0.000 2.467 181 L HA 0.097 4.437 4.340 -0.000 0.000 0.270 181 L C 0.249 176.996 176.870 -0.204 0.000 1.205 181 L CA 0.218 54.806 54.840 -0.419 0.000 0.828 181 L CB 0.200 41.966 42.059 -0.488 0.000 1.101 181 L HN 0.476 nan 8.230 nan 0.000 0.479 182 E N 1.952 122.032 120.200 -0.201 0.000 2.109 182 E HA 0.111 4.461 4.350 -0.000 0.000 0.278 182 E C -0.878 175.644 176.600 -0.130 0.000 0.954 182 E CA -0.526 55.800 56.400 -0.123 0.000 0.779 182 E CB 0.814 30.459 29.700 -0.091 0.000 1.093 182 E HN 0.486 nan 8.360 nan 0.000 0.401 183 D N 2.871 123.207 120.400 -0.106 0.000 2.751 183 D HA -0.212 4.428 4.640 -0.000 0.000 0.233 183 D C 0.883 177.110 176.300 -0.122 0.000 1.149 183 D CA 1.499 55.439 54.000 -0.099 0.000 0.682 183 D CB -1.279 39.470 40.800 -0.084 0.000 1.068 183 D HN 1.029 nan 8.370 nan 0.000 0.429 184 G N -0.742 107.969 108.800 -0.148 0.000 2.168 184 G HA2 -0.365 3.595 3.960 -0.000 0.000 0.263 184 G HA3 -0.365 3.595 3.960 -0.000 0.000 0.263 184 G C 0.261 175.031 174.900 -0.216 0.000 0.977 184 G CA 0.959 45.958 45.100 -0.170 0.000 0.659 184 G HN 0.523 nan 8.290 nan 0.000 0.533 185 K N -0.564 119.693 120.400 -0.240 0.000 2.385 185 K HA 0.632 4.952 4.320 -0.000 0.000 0.248 185 K C 0.102 176.488 176.600 -0.357 0.000 0.955 185 K CA -1.040 55.089 56.287 -0.264 0.000 0.816 185 K CB 2.836 35.222 32.500 -0.190 0.000 1.250 185 K HN 0.009 nan 8.250 nan 0.000 0.434 186 V N 2.180 121.868 119.914 -0.377 0.000 2.637 186 V HA 0.121 4.241 4.120 -0.000 0.000 0.296 186 V C 0.430 176.379 176.094 -0.242 0.000 1.046 186 V CA 0.168 62.227 62.300 -0.401 0.000 1.066 186 V CB 0.858 32.493 31.823 -0.314 0.000 0.968 186 V HN 1.004 nan 8.190 nan 0.000 0.483 187 T N 1.859 116.328 114.554 -0.142 0.000 2.887 187 T HA 0.467 4.817 4.350 -0.000 0.000 0.292 187 T C 1.017 175.687 174.700 -0.049 0.000 1.087 187 T CA -0.642 61.402 62.100 -0.093 0.000 1.009 187 T CB 1.571 70.409 68.868 -0.051 0.000 1.203 187 T HN 0.347 nan 8.240 nan 0.000 0.518 188 I N 1.450 121.991 120.570 -0.048 0.000 2.286 188 I HA -0.178 3.992 4.170 -0.000 0.000 0.248 188 I C 2.369 178.489 176.117 0.006 0.000 1.115 188 I CA 2.414 63.715 61.300 0.002 0.000 1.392 188 I CB -0.656 37.386 38.000 0.069 0.000 1.065 188 I HN 0.911 nan 8.210 nan 0.000 0.418 189 S N 0.764 116.469 115.700 0.009 0.000 2.368 189 S HA -0.266 4.204 4.470 -0.000 0.000 0.225 189 S C 2.129 176.720 174.600 -0.016 0.000 1.030 189 S CA 1.165 59.364 58.200 -0.002 0.000 0.999 189 S CB -1.366 61.834 63.200 0.001 0.000 0.844 189 S HN 0.543 nan 8.310 nan 0.000 0.459 190 F N 2.371 122.242 119.950 -0.132 0.000 2.095 190 F HA -0.087 4.440 4.527 -0.000 0.000 0.298 190 F C 2.321 177.999 175.800 -0.203 0.000 1.104 190 F CA 1.681 59.581 58.000 -0.167 0.000 1.232 190 F CB -0.331 38.562 39.000 -0.178 0.000 0.987 190 F HN 0.090 nan 8.300 nan 0.000 0.475 191 M N 0.566 120.053 119.600 -0.187 0.000 2.117 191 M HA -0.193 4.286 4.480 -0.000 0.000 0.262 191 M C 2.057 178.181 176.300 -0.294 0.000 1.065 191 M CA 1.683 56.746 55.300 -0.395 0.000 1.114 191 M CB -1.255 31.008 32.600 -0.563 0.000 1.361 191 M HN 0.165 nan 8.290 nan 0.000 0.408 192 K N -0.050 120.260 120.400 -0.150 0.000 2.057 192 K HA -0.145 4.175 4.320 -0.000 0.000 0.207 192 K C 1.969 178.500 176.600 -0.114 0.000 1.049 192 K CA 1.223 57.468 56.287 -0.070 0.000 0.931 192 K CB -0.152 32.337 32.500 -0.019 0.000 0.714 192 K HN 0.438 nan 8.250 nan 0.000 0.440 193 E N 0.762 120.842 120.200 -0.200 0.000 2.077 193 E HA -0.211 4.139 4.350 -0.000 0.000 0.193 193 E C 2.026 178.449 176.600 -0.294 0.000 0.989 193 E CA 0.922 57.186 56.400 -0.228 0.000 0.800 193 E CB -0.082 29.441 29.700 -0.294 0.000 0.746 193 E HN 0.107 nan 8.360 nan 0.000 0.452 194 L N 0.610 121.508 121.223 -0.542 0.000 2.046 194 L HA -0.165 4.174 4.340 -0.000 0.000 0.208 194 L C 2.198 178.868 176.870 -0.333 0.000 1.077 194 L CA 1.666 56.126 54.840 -0.634 0.000 0.747 194 L CB -0.226 41.298 42.059 -0.891 0.000 0.896 194 L HN 0.136 nan 8.230 nan 0.000 0.432 195 M N -1.386 118.153 119.600 -0.101 0.000 2.117 195 M HA -0.224 4.255 4.480 -0.000 0.000 0.262 195 M C 2.312 178.751 176.300 0.231 0.000 1.065 195 M CA 1.801 57.225 55.300 0.206 0.000 1.114 195 M CB -0.326 32.401 32.600 0.211 0.000 1.361 195 M HN 0.328 nan 8.290 nan 0.000 0.408 196 Q N 0.153 120.027 119.800 0.123 0.000 2.079 196 Q HA -0.187 4.153 4.340 -0.000 0.000 0.200 196 Q C 1.810 177.927 176.000 0.196 0.000 0.974 196 Q CA 1.806 57.697 55.803 0.147 0.000 0.840 196 Q CB -0.487 28.314 28.738 0.105 0.000 0.898 196 Q HN 0.641 nan 8.270 nan 0.000 0.430 197 W N -0.462 120.792 121.300 -0.075 0.000 2.335 197 W HA -0.279 4.381 4.660 -0.000 0.000 0.311 197 W C 1.242 177.802 176.519 0.068 0.000 1.213 197 W CA 1.451 58.753 57.345 -0.072 0.000 1.274 197 W CB -0.173 29.152 29.460 -0.224 0.000 1.148 197 W HN 0.255 nan 8.180 nan 0.000 0.498 198 Y N 0.770 121.127 120.300 0.095 0.000 2.200 198 Y HA -0.190 4.360 4.550 -0.000 0.000 0.290 198 Y C 2.502 178.373 175.900 -0.048 0.000 1.137 198 Y CA 1.534 59.544 58.100 -0.150 0.000 1.163 198 Y CB -1.407 36.735 38.460 -0.530 0.000 0.988 198 Y HN 0.001 nan 8.280 nan 0.000 0.518 199 K N 0.236 120.841 120.400 0.342 0.000 2.074 199 K HA -0.188 4.132 4.320 -0.000 0.000 0.209 199 K C 0.778 177.553 176.600 0.291 0.000 1.048 199 K CA 1.953 58.442 56.287 0.336 0.000 0.926 199 K CB -0.119 32.541 32.500 0.267 0.000 0.713 199 K HN 0.135 nan 8.250 nan 0.000 0.444 200 D N 0.717 121.196 120.400 0.132 0.000 2.324 200 D HA -0.033 4.607 4.640 -0.000 0.000 0.235 200 D C -0.209 176.064 176.300 -0.045 0.000 1.095 200 D CA 0.425 54.437 54.000 0.019 0.000 0.871 200 D CB 0.359 41.114 40.800 -0.076 0.000 0.906 200 D HN 0.256 nan 8.370 nan 0.000 0.522 201 Q N -0.853 118.966 119.800 0.031 0.000 2.502 201 Q HA -0.202 4.138 4.340 -0.000 0.000 0.273 201 Q C -0.339 175.605 176.000 -0.092 0.000 1.127 201 Q CA 0.839 56.663 55.803 0.034 0.000 0.952 201 Q CB -1.217 27.572 28.738 0.085 0.000 1.333 201 Q HN 0.352 nan 8.270 nan 0.000 0.494 202 K N 0.631 120.869 120.400 -0.271 0.000 2.168 202 K HA 0.554 4.874 4.320 -0.000 0.000 0.239 202 K C -0.107 176.468 176.600 -0.042 0.000 0.999 202 K CA -0.690 55.318 56.287 -0.465 0.000 0.900 202 K CB 1.249 32.845 32.500 -1.508 0.000 1.111 202 K HN -0.045 nan 8.250 nan 0.000 0.452 203 K N 1.779 122.304 120.400 0.209 0.000 2.206 203 K HA 0.234 4.554 4.320 -0.000 0.000 0.264 203 K C -0.910 176.160 176.600 0.785 0.000 0.967 203 K CA -0.773 55.771 56.287 0.429 0.000 0.844 203 K CB 0.864 33.460 32.500 0.160 0.000 1.099 203 K HN 0.335 nan 8.250 nan 0.000 0.441 204 L N 4.291 125.965 121.223 0.752 0.000 2.453 204 L HA 0.123 4.463 4.340 -0.000 0.000 0.272 204 L C -0.228 176.957 176.870 0.526 0.000 1.182 204 L CA 0.327 55.525 54.840 0.596 0.000 0.858 204 L CB 0.176 42.528 42.059 0.488 0.000 1.120 204 L HN 0.691 nan 8.230 nan 0.000 0.474 205 H N 3.419 122.614 119.070 0.208 0.000 3.064 205 H HA 0.013 4.569 4.556 -0.000 0.000 0.329 205 H C 1.315 176.701 175.328 0.097 0.000 1.020 205 H CA 1.110 57.102 56.048 -0.094 0.000 1.402 205 H CB 0.673 29.971 29.762 -0.775 0.000 1.379 205 H HN 0.681 nan 8.280 nan 0.000 0.594 206 R N 3.735 124.249 120.500 0.023 0.000 2.139 206 R HA -0.193 4.147 4.340 -0.000 0.000 0.243 206 R C 1.253 177.614 176.300 0.101 0.000 1.145 206 R CA 1.931 58.078 56.100 0.078 0.000 0.976 206 R CB -0.169 30.162 30.300 0.051 0.000 0.866 206 R HN 0.547 nan 8.270 nan 0.000 0.449 207 K N 0.398 120.986 120.400 0.313 0.000 2.103 207 K HA -0.031 4.289 4.320 -0.000 0.000 0.204 207 K C 2.226 178.888 176.600 0.103 0.000 1.052 207 K CA 1.480 57.865 56.287 0.163 0.000 0.945 207 K CB -0.087 32.454 32.500 0.069 0.000 0.722 207 K HN 0.230 nan 8.250 nan 0.000 0.443 208 C N 0.632 119.984 119.300 0.087 0.000 2.446 208 C HA -0.014 4.446 4.460 -0.000 0.000 0.277 208 C C 2.910 177.928 174.990 0.046 0.000 1.275 208 C CA 0.723 59.766 59.018 0.041 0.000 1.727 208 C CB -0.785 27.024 27.740 0.114 0.000 2.010 208 C HN 0.531 nan 8.230 nan 0.000 0.486 209 A N -0.294 122.569 122.820 0.072 0.000 1.883 209 A HA -0.249 4.071 4.320 -0.000 0.000 0.217 209 A C 2.005 179.520 177.584 -0.115 0.000 1.186 209 A CA 1.959 53.986 52.037 -0.016 0.000 0.624 209 A CB -1.088 17.797 19.000 -0.193 0.000 0.822 209 A HN 0.659 nan 8.150 nan 0.000 0.444 210 Y N 0.346 120.519 120.300 -0.211 0.000 2.128 210 Y HA -0.278 4.272 4.550 -0.000 0.000 0.284 210 Y C 2.602 178.391 175.900 -0.185 0.000 1.154 210 Y CA 2.408 60.379 58.100 -0.215 0.000 1.149 210 Y CB -0.280 38.083 38.460 -0.161 0.000 0.976 210 Y HN 0.302 nan 8.280 nan 0.000 0.505 211 Q N 0.378 120.087 119.800 -0.152 0.000 2.096 211 Q HA -0.189 4.150 4.340 -0.000 0.000 0.204 211 Q C 2.506 178.333 176.000 -0.288 0.000 0.982 211 Q CA 2.100 57.756 55.803 -0.244 0.000 0.850 211 Q CB -0.572 28.084 28.738 -0.136 0.000 0.901 211 Q HN 0.649 nan 8.270 nan 0.000 0.422 212 I N 0.424 120.865 120.570 -0.215 0.000 2.208 212 I HA -0.309 3.860 4.170 -0.000 0.000 0.245 212 I C 2.288 178.247 176.117 -0.262 0.000 1.097 212 I CA 0.980 62.172 61.300 -0.180 0.000 1.363 212 I CB -0.295 37.686 38.000 -0.032 0.000 1.051 212 I HN 0.143 nan 8.210 nan 0.000 0.413 213 L N 0.124 121.144 121.223 -0.339 0.000 2.056 213 L HA -0.169 4.171 4.340 -0.000 0.000 0.207 213 L C 2.699 179.293 176.870 -0.459 0.000 1.078 213 L CA 1.314 55.887 54.840 -0.445 0.000 0.749 213 L CB -0.715 41.022 42.059 -0.537 0.000 0.901 213 L HN 0.253 nan 8.230 nan 0.000 0.433 214 V N -2.997 116.596 119.914 -0.535 0.000 2.427 214 V HA -0.252 3.867 4.120 -0.000 0.000 0.248 214 V C 2.152 178.043 176.094 -0.338 0.000 1.051 214 V CA 1.355 63.377 62.300 -0.463 0.000 1.048 214 V CB -0.821 30.656 31.823 -0.578 0.000 0.666 214 V HN 0.468 nan 8.190 nan 0.000 0.456 215 Q N -0.024 119.585 119.800 -0.317 0.000 2.079 215 Q HA -0.075 4.265 4.340 -0.000 0.000 0.200 215 Q C 2.481 178.333 176.000 -0.247 0.000 0.974 215 Q CA 1.850 57.502 55.803 -0.251 0.000 0.840 215 Q CB -0.290 28.312 28.738 -0.226 0.000 0.898 215 Q HN 0.572 nan 8.270 nan 0.000 0.430 216 V N 1.075 120.812 119.914 -0.295 0.000 2.548 216 V HA -0.237 3.883 4.120 -0.000 0.000 0.249 216 V C 2.245 178.158 176.094 -0.301 0.000 1.055 216 V CA 1.593 63.703 62.300 -0.316 0.000 1.065 216 V CB -0.251 31.282 31.823 -0.483 0.000 0.681 216 V HN 0.276 nan 8.190 nan 0.000 0.462 217 K N -0.092 120.124 120.400 -0.307 0.000 2.063 217 K HA -0.281 4.038 4.320 -0.000 0.000 0.208 217 K C 2.092 178.512 176.600 -0.301 0.000 1.048 217 K CA 2.177 58.325 56.287 -0.232 0.000 0.928 217 K CB -0.130 32.260 32.500 -0.184 0.000 0.713 217 K HN 0.558 nan 8.250 nan 0.000 0.442 218 E N 0.230 120.264 120.200 -0.277 0.000 2.051 218 E HA -0.158 4.192 4.350 -0.000 0.000 0.192 218 E C 1.768 178.219 176.600 -0.249 0.000 0.991 218 E CA 1.602 57.837 56.400 -0.275 0.000 0.799 218 E CB -0.137 29.434 29.700 -0.214 0.000 0.748 218 E HN 0.128 nan 8.360 nan 0.000 0.449 219 V N 0.771 120.571 119.914 -0.189 0.000 2.255 219 V HA -0.278 3.842 4.120 -0.000 0.000 0.247 219 V C 2.498 178.527 176.094 -0.108 0.000 1.051 219 V CA 1.986 64.211 62.300 -0.126 0.000 1.018 219 V CB -0.556 31.216 31.823 -0.086 0.000 0.641 219 V HN 0.336 nan 8.190 nan 0.000 0.445 220 L N 0.854 122.016 121.223 -0.101 0.000 2.093 220 L HA -0.134 4.206 4.340 -0.000 0.000 0.208 220 L C 2.638 179.462 176.870 -0.077 0.000 1.085 220 L CA 1.720 56.559 54.840 -0.002 0.000 0.755 220 L CB -0.736 41.388 42.059 0.108 0.000 0.904 220 L HN 0.558 nan 8.230 nan 0.000 0.435 221 S N -0.835 114.607 115.700 -0.429 0.000 2.474 221 S HA -0.090 4.380 4.470 -0.000 0.000 0.235 221 S C 1.759 176.037 174.600 -0.537 0.000 0.997 221 S CA 0.530 58.130 58.200 -1.000 0.000 0.949 221 S CB -0.140 62.050 63.200 -1.683 0.000 0.766 221 S HN 0.293 nan 8.310 nan 0.000 0.517 222 K N 0.883 121.118 120.400 -0.276 0.000 2.400 222 K HA 0.355 4.675 4.320 -0.000 0.000 0.194 222 K C 0.524 177.097 176.600 -0.045 0.000 1.033 222 K CA -0.014 56.185 56.287 -0.147 0.000 1.021 222 K CB -0.328 32.102 32.500 -0.117 0.000 0.808 222 K HN 0.463 nan 8.250 nan 0.000 0.505 223 L N 1.168 122.392 121.223 0.003 0.000 2.418 223 L HA 0.138 4.478 4.340 -0.000 0.000 0.265 223 L C 0.963 177.894 176.870 0.101 0.000 1.143 223 L CA -0.427 54.452 54.840 0.066 0.000 0.809 223 L CB 1.042 43.164 42.059 0.105 0.000 1.124 223 L HN -0.056 nan 8.230 nan 0.000 0.456 224 S N 0.304 116.057 115.700 0.089 0.000 2.593 224 S HA 0.040 4.510 4.470 -0.000 0.000 0.269 224 S C 1.203 175.874 174.600 0.119 0.000 1.334 224 S CA -0.414 57.844 58.200 0.096 0.000 1.015 224 S CB 1.140 64.380 63.200 0.067 0.000 0.912 224 S HN 0.684 nan 8.310 nan 0.000 0.541 225 T N 2.840 117.466 114.554 0.121 0.000 2.833 225 T HA -0.058 4.291 4.350 -0.000 0.000 0.269 225 T C 0.432 175.194 174.700 0.104 0.000 1.054 225 T CA 0.962 63.135 62.100 0.121 0.000 1.135 225 T CB -0.289 68.643 68.868 0.107 0.000 0.869 225 T HN 0.434 nan 8.240 nan 0.000 0.466 226 L N 2.436 123.710 121.223 0.085 0.000 2.276 226 L HA 0.464 4.804 4.340 -0.000 0.000 0.286 226 L C -0.710 176.192 176.870 0.053 0.000 1.024 226 L CA -0.595 54.287 54.840 0.070 0.000 0.826 226 L CB 0.951 43.049 42.059 0.064 0.000 1.211 226 L HN -0.171 nan 8.230 nan 0.000 0.422 227 V N 5.147 125.087 119.914 0.042 0.000 2.488 227 V HA 0.269 4.388 4.120 -0.000 0.000 0.277 227 V C 0.134 176.213 176.094 -0.024 0.000 1.046 227 V CA -0.395 61.915 62.300 0.016 0.000 0.986 227 V CB 0.932 32.760 31.823 0.010 0.000 0.989 227 V HN 0.723 nan 8.190 nan 0.000 0.475 228 E N 3.009 123.195 120.200 -0.022 0.000 2.129 228 E HA 0.505 4.854 4.350 -0.000 0.000 0.268 228 E C -0.792 175.777 176.600 -0.052 0.000 0.900 228 E CA -0.440 55.939 56.400 -0.035 0.000 0.755 228 E CB 1.801 31.493 29.700 -0.014 0.000 1.117 228 E HN 0.649 nan 8.360 nan 0.000 0.410 229 T N 2.027 116.534 114.554 -0.079 0.000 2.824 229 T HA 0.349 4.698 4.350 -0.000 0.000 0.282 229 T C -0.281 174.387 174.700 -0.054 0.000 0.993 229 T CA -0.645 61.403 62.100 -0.086 0.000 0.967 229 T CB 1.635 70.399 68.868 -0.174 0.000 0.960 229 T HN 0.221 nan 8.240 nan 0.000 0.441 230 T N 3.697 118.234 114.554 -0.030 0.000 2.829 230 T HA 0.562 4.912 4.350 -0.000 0.000 0.282 230 T C -0.319 174.378 174.700 -0.004 0.000 0.990 230 T CA -0.608 61.482 62.100 -0.016 0.000 1.028 230 T CB 0.508 69.373 68.868 -0.006 0.000 0.951 230 T HN 0.326 nan 8.240 nan 0.000 0.460 231 L N 3.521 124.742 121.223 -0.005 0.000 2.319 231 L HA 0.434 4.773 4.340 -0.000 0.000 0.281 231 L C 0.532 177.404 176.870 0.004 0.000 1.005 231 L CA -0.860 53.982 54.840 0.004 0.000 0.828 231 L CB 1.415 43.470 42.059 -0.007 0.000 1.227 231 L HN 0.483 nan 8.230 nan 0.000 0.415 232 K N 1.459 121.866 120.400 0.011 0.000 2.187 232 K HA -0.006 4.314 4.320 -0.000 0.000 0.247 232 K C 0.994 177.594 176.600 0.001 0.000 1.019 232 K CA -0.151 56.141 56.287 0.007 0.000 0.893 232 K CB 0.916 33.423 32.500 0.012 0.000 1.025 232 K HN 0.546 nan 8.250 nan 0.000 0.500 233 E N 0.415 120.615 120.200 -0.000 0.000 2.130 233 E HA -0.224 4.126 4.350 -0.000 0.000 0.196 233 E C 1.266 177.861 176.600 -0.008 0.000 0.998 233 E CA 2.047 58.445 56.400 -0.003 0.000 0.806 233 E CB 0.115 29.814 29.700 -0.001 0.000 0.738 233 E HN 0.719 nan 8.360 nan 0.000 0.459 234 T N -2.147 112.401 114.554 -0.010 0.000 3.107 234 T HA 0.121 4.471 4.350 -0.000 0.000 0.249 234 T C 0.404 175.088 174.700 -0.028 0.000 1.096 234 T CA -0.213 61.877 62.100 -0.018 0.000 1.012 234 T CB 0.097 68.956 68.868 -0.016 0.000 0.977 234 T HN 0.039 nan 8.240 nan 0.000 0.527 235 E N 1.743 121.930 120.200 -0.022 0.000 2.313 235 E HA 0.457 4.807 4.350 -0.000 0.000 0.272 235 E C -0.180 176.392 176.600 -0.047 0.000 1.038 235 E CA -0.767 55.617 56.400 -0.027 0.000 0.863 235 E CB 1.107 30.809 29.700 0.004 0.000 1.060 235 E HN 0.559 nan 8.360 nan 0.000 0.402 236 K N 1.615 121.969 120.400 -0.077 0.000 2.395 236 K HA 0.746 5.066 4.320 -0.000 0.000 0.245 236 K C -1.112 175.414 176.600 -0.124 0.000 1.017 236 K CA -0.827 55.386 56.287 -0.124 0.000 0.852 236 K CB 1.901 34.273 32.500 -0.215 0.000 1.311 236 K HN 0.498 nan 8.250 nan 0.000 0.452 237 I N 0.227 120.707 120.570 -0.149 0.000 2.913 237 I HA 0.266 4.435 4.170 -0.000 0.000 0.302 237 I C -1.545 174.461 176.117 -0.184 0.000 1.246 237 I CA -0.371 60.843 61.300 -0.144 0.000 1.010 237 I CB 2.908 40.876 38.000 -0.054 0.000 1.259 237 I HN 0.791 nan 8.210 nan 0.000 0.434 238 T N 5.330 119.716 114.554 -0.280 0.000 2.779 238 T HA 0.536 4.886 4.350 -0.000 0.000 0.280 238 T C -0.877 173.699 174.700 -0.208 0.000 0.987 238 T CA -0.396 61.554 62.100 -0.250 0.000 0.966 238 T CB 1.465 69.940 68.868 -0.655 0.000 0.933 238 T HN 0.234 nan 8.240 nan 0.000 0.442 239 V N 3.114 122.985 119.914 -0.072 0.000 2.384 239 V HA 0.399 4.519 4.120 -0.000 0.000 0.287 239 V C 0.008 176.080 176.094 -0.036 0.000 1.020 239 V CA -0.830 61.431 62.300 -0.065 0.000 0.850 239 V CB 1.018 32.839 31.823 -0.003 0.000 0.987 239 V HN 1.020 nan 8.190 nan 0.000 0.436 240 C N 3.896 123.090 119.300 -0.176 0.000 2.411 240 C HA 0.864 5.324 4.460 -0.000 0.000 0.330 240 C C 1.233 176.228 174.990 0.009 0.000 1.224 240 C CA -0.327 58.620 59.018 -0.119 0.000 1.770 240 C CB 1.040 28.481 27.740 -0.498 0.000 2.297 240 C HN 1.056 nan 8.230 nan 0.000 0.507 241 G N 1.012 109.864 108.800 0.086 0.000 2.630 241 G HA2 0.416 4.376 3.960 -0.000 0.000 0.223 241 G HA3 0.416 4.376 3.960 -0.000 0.000 0.223 241 G C -0.838 174.068 174.900 0.010 0.000 1.434 241 G CA -0.280 44.862 45.100 0.071 0.000 1.057 241 G HN 0.742 nan 8.290 nan 0.000 0.570 242 D N -0.294 120.021 120.400 -0.141 0.000 2.506 242 D HA 0.247 4.887 4.640 -0.000 0.000 0.234 242 D C 1.374 177.508 176.300 -0.277 0.000 1.143 242 D CA 0.991 54.820 54.000 -0.286 0.000 0.871 242 D CB 1.151 41.754 40.800 -0.329 0.000 1.190 242 D HN 0.399 nan 8.370 nan 0.000 0.459 243 T N -2.474 111.981 114.554 -0.165 0.000 2.964 243 T HA -0.023 4.327 4.350 -0.000 0.000 0.250 243 T C 0.509 175.251 174.700 0.069 0.000 0.982 243 T CA -0.258 61.848 62.100 0.009 0.000 0.959 243 T CB -0.044 68.902 68.868 0.129 0.000 1.141 243 T HN 0.491 nan 8.240 nan 0.000 0.494 244 H N 2.042 121.118 119.070 0.010 0.000 2.527 244 H HA -0.163 4.393 4.556 -0.000 0.000 0.321 244 H C 1.547 176.913 175.328 0.064 0.000 1.092 244 H CA 1.062 57.119 56.048 0.014 0.000 1.118 244 H CB -1.850 27.967 29.762 0.092 0.000 1.536 244 H HN 0.960 nan 8.280 nan 0.000 0.407 245 G N 0.759 109.651 108.800 0.154 0.000 2.168 245 G HA2 -0.358 3.602 3.960 -0.000 0.000 0.257 245 G HA3 -0.358 3.602 3.960 -0.000 0.000 0.257 245 G C 0.438 175.521 174.900 0.306 0.000 0.997 245 G CA 0.581 45.798 45.100 0.196 0.000 0.708 245 G HN 0.617 nan 8.290 nan 0.000 0.520 246 Q N -0.552 119.411 119.800 0.271 0.000 3.181 246 Q HA 0.410 4.750 4.340 -0.000 0.000 0.293 246 Q C 1.264 177.420 176.000 0.259 0.000 1.406 246 Q CA -0.773 55.214 55.803 0.306 0.000 1.026 246 Q CB -0.084 28.802 28.738 0.247 0.000 1.630 246 Q HN 0.472 nan 8.270 nan 0.000 0.553 247 F N 0.542 120.573 119.950 0.135 0.000 2.154 247 F HA -0.288 4.239 4.527 -0.000 0.000 0.301 247 F C 0.899 176.545 175.800 -0.257 0.000 1.087 247 F CA 1.728 59.656 58.000 -0.120 0.000 1.274 247 F CB 0.113 38.951 39.000 -0.270 0.000 1.009 247 F HN 0.402 nan 8.300 nan 0.000 0.485 248 Y N 0.307 120.498 120.300 -0.182 0.000 2.314 248 Y HA -0.152 4.397 4.550 -0.000 0.000 0.293 248 Y C 2.355 178.166 175.900 -0.149 0.000 1.129 248 Y CA 1.317 59.283 58.100 -0.222 0.000 1.201 248 Y CB -0.731 37.685 38.460 -0.074 0.000 0.999 248 Y HN 0.074 nan 8.280 nan 0.000 0.541 249 D N -0.179 120.273 120.400 0.086 0.000 2.149 249 D HA -0.127 4.513 4.640 -0.000 0.000 0.201 249 D C 2.166 178.419 176.300 -0.078 0.000 0.972 249 D CA 0.761 54.827 54.000 0.110 0.000 0.835 249 D CB -0.357 40.606 40.800 0.272 0.000 0.966 249 D HN 0.275 nan 8.370 nan 0.000 0.476 250 L N 1.033 122.132 121.223 -0.207 0.000 2.017 250 L HA -0.133 4.207 4.340 -0.000 0.000 0.208 250 L C 2.211 178.687 176.870 -0.657 0.000 1.073 250 L CA 1.397 55.981 54.840 -0.427 0.000 0.745 250 L CB -0.570 41.254 42.059 -0.391 0.000 0.894 250 L HN -0.026 nan 8.230 nan 0.000 0.432 251 L N -0.352 120.506 121.223 -0.607 0.000 2.079 251 L HA -0.237 4.103 4.340 -0.000 0.000 0.210 251 L C 2.376 179.111 176.870 -0.226 0.000 1.081 251 L CA 1.586 56.186 54.840 -0.399 0.000 0.752 251 L CB -0.841 40.946 42.059 -0.454 0.000 0.896 251 L HN 0.446 nan 8.230 nan 0.000 0.433 252 N N 0.802 119.378 118.700 -0.207 0.000 2.120 252 N HA -0.177 4.563 4.740 -0.000 0.000 0.188 252 N C 1.777 177.135 175.510 -0.253 0.000 1.024 252 N CA 1.283 54.250 53.050 -0.138 0.000 0.852 252 N CB -0.123 38.339 38.487 -0.041 0.000 1.003 252 N HN 0.219 nan 8.380 nan 0.000 0.424 253 I N -0.405 119.901 120.570 -0.440 0.000 2.151 253 I HA -0.300 3.870 4.170 -0.000 0.000 0.243 253 I C 1.440 177.410 176.117 -0.245 0.000 1.080 253 I CA 1.034 62.020 61.300 -0.523 0.000 1.339 253 I CB -0.400 37.268 38.000 -0.552 0.000 1.039 253 I HN 0.090 nan 8.210 nan 0.000 0.409 254 F N 1.082 120.933 119.950 -0.164 0.000 2.216 254 F HA -0.146 4.381 4.527 -0.000 0.000 0.300 254 F C 2.482 178.230 175.800 -0.087 0.000 1.085 254 F CA 1.014 58.938 58.000 -0.125 0.000 1.326 254 F CB -0.994 37.916 39.000 -0.149 0.000 1.027 254 F HN 0.153 nan 8.300 nan 0.000 0.497 255 E N 0.124 120.374 120.200 0.083 0.000 2.072 255 E HA -0.126 4.223 4.350 -0.000 0.000 0.190 255 E C 2.303 178.923 176.600 0.034 0.000 0.982 255 E CA 0.886 57.316 56.400 0.050 0.000 0.803 255 E CB -0.283 29.436 29.700 0.033 0.000 0.755 255 E HN 0.336 nan 8.360 nan 0.000 0.453 256 L N 0.502 121.722 121.223 -0.006 0.000 2.109 256 L HA -0.109 4.231 4.340 -0.000 0.000 0.207 256 L C 2.016 178.884 176.870 -0.002 0.000 1.086 256 L CA 0.899 55.745 54.840 0.011 0.000 0.760 256 L CB -0.106 41.946 42.059 -0.011 0.000 0.910 256 L HN 0.098 nan 8.230 nan 0.000 0.437 257 N N -0.604 118.065 118.700 -0.053 0.000 2.184 257 N HA 0.190 4.930 4.740 -0.000 0.000 0.206 257 N C 0.176 175.708 175.510 0.036 0.000 1.151 257 N CA 0.676 53.690 53.050 -0.059 0.000 0.878 257 N CB 0.897 39.169 38.487 -0.358 0.000 1.014 257 N HN 0.254 nan 8.380 nan 0.000 0.512 258 G N 0.407 109.250 108.800 0.071 0.000 2.705 258 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.686 258 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.686 258 G C -0.719 174.213 174.900 0.053 0.000 1.285 258 G CA -0.521 44.609 45.100 0.050 0.000 0.800 258 G HN 0.200 nan 8.290 nan 0.000 0.611 259 L N 2.138 123.304 121.223 -0.096 0.000 2.483 259 L HA 0.234 4.574 4.340 -0.000 0.000 0.276 259 L C -1.351 175.301 176.870 -0.364 0.000 1.213 259 L CA -1.299 53.311 54.840 -0.382 0.000 0.843 259 L CB 0.402 42.294 42.059 -0.279 0.000 1.107 259 L HN 0.393 nan 8.230 nan 0.000 0.487 260 P HA 0.043 nan 4.420 nan 0.000 0.267 260 P C -0.749 176.189 177.300 -0.604 0.000 1.200 260 P CA 0.047 62.892 63.100 -0.426 0.000 0.772 260 P CB 0.895 32.139 31.700 -0.760 0.000 0.855 261 S N 0.232 115.530 115.700 -0.670 0.000 2.683 261 S HA 0.267 4.737 4.470 -0.000 0.000 0.269 261 S C 0.483 174.641 174.600 -0.737 0.000 1.165 261 S CA -0.710 56.832 58.200 -1.096 0.000 0.840 261 S CB 0.547 63.420 63.200 -0.546 0.000 1.169 261 S HN 0.188 nan 8.310 nan 0.000 0.490 262 E N 1.000 120.818 120.200 -0.636 0.000 2.265 262 E HA 0.015 4.365 4.350 -0.000 0.000 0.196 262 E C 1.563 177.778 176.600 -0.641 0.000 0.996 262 E CA 1.672 57.623 56.400 -0.748 0.000 0.832 262 E CB -0.337 29.089 29.700 -0.458 0.000 0.756 262 E HN 0.803 nan 8.360 nan 0.000 0.491 263 T N -3.167 111.165 114.554 -0.370 0.000 3.054 263 T HA 0.108 4.458 4.350 -0.000 0.000 0.255 263 T C 0.593 175.172 174.700 -0.201 0.000 1.035 263 T CA -0.385 61.571 62.100 -0.240 0.000 0.941 263 T CB -0.034 68.733 68.868 -0.168 0.000 1.026 263 T HN 0.000 nan 8.240 nan 0.000 0.533 264 N N 2.264 120.834 118.700 -0.217 0.000 2.765 264 N HA 0.296 5.036 4.740 -0.000 0.000 0.277 264 N C -3.183 172.265 175.510 -0.103 0.000 1.750 264 N CA -1.519 51.423 53.050 -0.179 0.000 0.827 264 N CB 1.432 39.834 38.487 -0.142 0.000 1.200 264 N HN 0.161 nan 8.380 nan 0.000 0.494 265 P HA 0.209 nan 4.420 nan 0.000 0.274 265 P C -1.310 175.991 177.300 0.001 0.000 1.231 265 P CA 0.221 63.382 63.100 0.101 0.000 0.790 265 P CB 0.672 32.489 31.700 0.194 0.000 0.951 266 Y N 0.172 120.498 120.300 0.043 0.000 2.499 266 Y HA 0.555 5.105 4.550 -0.000 0.000 0.347 266 Y C 0.152 175.973 175.900 -0.131 0.000 0.987 266 Y CA -0.612 57.430 58.100 -0.096 0.000 1.044 266 Y CB 1.734 40.150 38.460 -0.072 0.000 1.245 266 Y HN 0.124 nan 8.280 nan 0.000 0.461 267 I N 3.255 123.816 120.570 -0.016 0.000 2.418 267 I HA 0.310 4.480 4.170 -0.000 0.000 0.287 267 I C -1.380 174.664 176.117 -0.121 0.000 1.008 267 I CA -0.535 60.773 61.300 0.015 0.000 1.104 267 I CB 1.163 39.182 38.000 0.032 0.000 1.264 267 I HN 0.379 nan 8.210 nan 0.000 0.438 268 F N 4.417 124.401 119.950 0.057 0.000 2.385 268 F HA 0.284 4.811 4.527 -0.000 0.000 0.360 268 F C 0.855 176.829 175.800 0.290 0.000 1.122 268 F CA -0.542 57.577 58.000 0.199 0.000 1.090 268 F CB 0.803 39.942 39.000 0.231 0.000 1.150 268 F HN 0.392 nan 8.300 nan 0.000 0.472 269 N N 3.206 122.074 118.700 0.280 0.000 3.250 269 N HA 0.346 5.086 4.740 -0.000 0.000 0.307 269 N C 0.272 175.836 175.510 0.091 0.000 1.355 269 N CA 0.644 53.799 53.050 0.176 0.000 1.192 269 N CB -0.310 38.249 38.487 0.121 0.000 1.478 269 N HN 0.871 nan 8.380 nan 0.000 0.543 270 G N 1.099 109.768 108.800 -0.218 0.000 2.828 270 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.463 270 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.463 270 G C -0.656 173.539 174.900 -1.175 0.000 1.394 270 G CA -0.327 44.194 45.100 -0.964 0.000 0.862 270 G HN 0.489 nan 8.290 nan 0.000 0.540 271 D N -1.454 118.157 120.400 -1.315 0.000 2.746 271 D HA -0.152 4.487 4.640 -0.000 0.000 0.241 271 D C 0.986 176.724 176.300 -0.936 0.000 1.140 271 D CA 1.638 55.032 54.000 -1.009 0.000 0.707 271 D CB -1.224 39.119 40.800 -0.762 0.000 1.034 271 D HN 0.618 nan 8.370 nan 0.000 0.423 272 F N -1.040 118.637 119.950 -0.455 0.000 2.416 272 F HA 0.087 4.614 4.527 -0.000 0.000 0.296 272 F C 1.774 177.372 175.800 -0.338 0.000 1.099 272 F CA 0.283 58.069 58.000 -0.357 0.000 1.427 272 F CB -0.228 38.562 39.000 -0.351 0.000 1.079 272 F HN 0.150 nan 8.300 nan 0.000 0.536 273 V N -3.755 116.003 119.914 -0.260 0.000 3.158 273 V HA 0.650 4.770 4.120 -0.000 0.000 0.315 273 V C -0.694 175.395 176.094 -0.010 0.000 1.148 273 V CA -1.282 60.890 62.300 -0.214 0.000 1.042 273 V CB 1.655 33.069 31.823 -0.681 0.000 1.101 273 V HN 0.091 nan 8.190 nan 0.000 0.448 274 D N 0.082 120.565 120.400 0.137 0.000 10.822 274 D HA -0.081 4.558 4.640 -0.000 0.000 0.356 274 D C 0.817 177.207 176.300 0.151 0.000 3.123 274 D CA 0.774 54.909 54.000 0.225 0.000 2.621 274 D CB -0.140 40.824 40.800 0.272 0.000 1.197 274 D HN 1.030 nan 8.370 nan 0.000 0.942 275 R N -1.832 118.725 120.500 0.096 0.000 1.196 275 R HA -0.183 4.157 4.340 -0.000 0.000 0.018 275 R C 1.087 177.371 176.300 -0.026 0.000 0.961 275 R CA 2.263 58.346 56.100 -0.028 0.000 1.985 275 R CB -2.104 28.062 30.300 -0.222 0.000 0.134 275 R HN 0.746 nan 8.270 nan 0.000 0.731 276 G N -0.003 108.812 108.800 0.026 0.000 2.539 276 G HA2 0.371 4.331 3.960 -0.000 0.000 0.258 276 G HA3 0.371 4.331 3.960 -0.000 0.000 0.258 276 G C 0.348 175.242 174.900 -0.010 0.000 1.202 276 G CA 0.304 45.410 45.100 0.009 0.000 0.851 276 G HN 0.248 nan 8.290 nan 0.000 0.556 277 S N -0.077 115.498 115.700 -0.210 0.000 2.582 277 S HA 0.204 4.674 4.470 -0.000 0.000 0.234 277 S C -0.260 174.012 174.600 -0.547 0.000 0.961 277 S CA -0.224 57.806 58.200 -0.283 0.000 0.953 277 S CB -0.109 62.864 63.200 -0.378 0.000 0.800 277 S HN 0.478 nan 8.310 nan 0.000 0.471 278 F N 0.511 120.533 119.950 0.120 0.000 2.879 278 F HA 0.393 4.920 4.527 -0.000 0.000 0.354 278 F C 1.475 177.283 175.800 0.014 0.000 1.291 278 F CA -0.501 57.533 58.000 0.056 0.000 1.238 278 F CB -0.082 39.003 39.000 0.142 0.000 1.005 278 F HN -0.037 nan 8.300 nan 0.000 0.508 279 S N -0.140 115.641 115.700 0.134 0.000 2.383 279 S HA -0.113 4.357 4.470 -0.000 0.000 0.227 279 S C 2.287 176.961 174.600 0.125 0.000 1.026 279 S CA 1.065 59.348 58.200 0.138 0.000 0.981 279 S CB -0.092 63.252 63.200 0.240 0.000 0.818 279 S HN 0.309 nan 8.310 nan 0.000 0.472 280 V N 1.770 121.754 119.914 0.117 0.000 2.343 280 V HA -0.187 3.933 4.120 -0.000 0.000 0.247 280 V C 2.320 178.364 176.094 -0.083 0.000 1.051 280 V CA 1.821 64.181 62.300 0.099 0.000 1.036 280 V CB -0.711 31.140 31.823 0.047 0.000 0.654 280 V HN 0.379 nan 8.190 nan 0.000 0.451 281 E N -0.135 119.836 120.200 -0.382 0.000 2.072 281 E HA -0.139 4.211 4.350 -0.000 0.000 0.191 281 E C 2.155 178.600 176.600 -0.259 0.000 0.985 281 E CA 1.146 57.001 56.400 -0.908 0.000 0.801 281 E CB -0.499 28.301 29.700 -1.500 0.000 0.750 281 E HN 0.390 nan 8.360 nan 0.000 0.452 282 V N 0.755 120.677 119.914 0.012 0.000 2.261 282 V HA -0.241 3.879 4.120 -0.000 0.000 0.246 282 V C 2.178 178.267 176.094 -0.007 0.000 1.047 282 V CA 1.632 64.017 62.300 0.142 0.000 1.015 282 V CB -0.361 31.526 31.823 0.108 0.000 0.642 282 V HN 0.242 nan 8.190 nan 0.000 0.446 283 I N -0.690 119.831 120.570 -0.081 0.000 2.315 283 I HA -0.153 4.017 4.170 -0.000 0.000 0.248 283 I C 2.034 178.040 176.117 -0.185 0.000 1.117 283 I CA 1.528 62.665 61.300 -0.273 0.000 1.404 283 I CB -0.274 37.570 38.000 -0.260 0.000 1.071 283 I HN 0.166 nan 8.210 nan 0.000 0.419 284 L N -0.696 120.619 121.223 0.154 0.000 2.141 284 L HA -0.171 4.168 4.340 -0.000 0.000 0.209 284 L C 2.319 179.344 176.870 0.257 0.000 1.094 284 L CA 1.442 56.479 54.840 0.328 0.000 0.763 284 L CB -0.934 41.417 42.059 0.487 0.000 0.908 284 L HN 0.186 nan 8.230 nan 0.000 0.437 285 T N 0.279 114.984 114.554 0.252 0.000 2.708 285 T HA -0.138 4.212 4.350 -0.000 0.000 0.266 285 T C 1.965 176.746 174.700 0.134 0.000 1.037 285 T CA 1.180 63.405 62.100 0.208 0.000 1.146 285 T CB -0.201 68.927 68.868 0.433 0.000 0.865 285 T HN 0.185 nan 8.240 nan 0.000 0.435 286 L N -0.237 121.032 121.223 0.077 0.000 2.046 286 L HA -0.039 4.300 4.340 -0.000 0.000 0.208 286 L C 2.416 179.423 176.870 0.228 0.000 1.077 286 L CA 1.168 56.068 54.840 0.099 0.000 0.747 286 L CB -0.595 41.308 42.059 -0.261 0.000 0.896 286 L HN 0.185 nan 8.230 nan 0.000 0.432 287 F N 0.601 120.604 119.950 0.089 0.000 2.171 287 F HA -0.073 4.454 4.527 -0.000 0.000 0.300 287 F C 2.500 178.299 175.800 -0.002 0.000 1.090 287 F CA 0.941 58.988 58.000 0.078 0.000 1.293 287 F CB -1.593 37.468 39.000 0.102 0.000 1.013 287 F HN 0.013 nan 8.300 nan 0.000 0.486 288 G N -0.718 108.163 108.800 0.134 0.000 2.421 288 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.216 288 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.216 288 G C 1.612 176.367 174.900 -0.242 0.000 1.171 288 G CA 0.552 45.608 45.100 -0.074 0.000 0.775 288 G HN 0.237 nan 8.290 nan 0.000 0.543 289 F N 1.069 120.859 119.950 -0.266 0.000 2.234 289 F HA 0.095 4.621 4.527 -0.000 0.000 0.299 289 F C 2.478 178.030 175.800 -0.414 0.000 1.087 289 F CA 1.214 58.860 58.000 -0.590 0.000 1.340 289 F CB -0.167 38.022 39.000 -1.351 0.000 1.031 289 F HN 0.071 nan 8.300 nan 0.000 0.500 290 K N 0.931 121.383 120.400 0.087 0.000 2.057 290 K HA -0.119 4.201 4.320 -0.000 0.000 0.207 290 K C 1.888 178.554 176.600 0.110 0.000 1.049 290 K CA 1.459 57.929 56.287 0.304 0.000 0.931 290 K CB -0.667 32.071 32.500 0.396 0.000 0.714 290 K HN 0.273 nan 8.250 nan 0.000 0.440 291 L N 0.015 121.241 121.223 0.006 0.000 2.093 291 L HA -0.120 4.219 4.340 -0.000 0.000 0.208 291 L C 2.221 179.010 176.870 -0.136 0.000 1.085 291 L CA 0.529 55.323 54.840 -0.077 0.000 0.755 291 L CB -0.398 41.586 42.059 -0.125 0.000 0.904 291 L HN 0.207 nan 8.230 nan 0.000 0.435 292 L N -1.015 120.075 121.223 -0.221 0.000 2.072 292 L HA -0.109 4.231 4.340 -0.000 0.000 0.205 292 L C 0.246 176.800 176.870 -0.527 0.000 1.079 292 L CA 1.692 56.257 54.840 -0.459 0.000 0.752 292 L CB -0.135 41.525 42.059 -0.665 0.000 0.906 292 L HN 0.117 nan 8.230 nan 0.000 0.436 293 Y N -0.200 120.146 120.300 0.075 0.000 2.562 293 Y HA 0.382 4.932 4.550 -0.000 0.000 0.363 293 Y C -1.717 174.266 175.900 0.138 0.000 0.991 293 Y CA -2.638 55.539 58.100 0.128 0.000 1.121 293 Y CB -0.145 38.411 38.460 0.161 0.000 1.159 293 Y HN 0.103 nan 8.280 nan 0.000 0.651 294 P HA -0.116 nan 4.420 nan 0.000 0.220 294 P C 0.448 177.783 177.300 0.058 0.000 1.148 294 P CA 1.486 64.652 63.100 0.111 0.000 0.803 294 P CB 0.598 32.331 31.700 0.055 0.000 0.782 295 D N -1.869 118.562 120.400 0.051 0.000 2.349 295 D HA -0.015 4.625 4.640 -0.000 0.000 0.215 295 D C 0.809 176.885 176.300 -0.373 0.000 1.016 295 D CA 0.784 54.716 54.000 -0.114 0.000 0.870 295 D CB -0.295 40.416 40.800 -0.149 0.000 0.917 295 D HN 0.403 nan 8.370 nan 0.000 0.524 296 H N -1.909 117.158 119.070 -0.004 0.000 3.230 296 H HA 0.259 4.815 4.556 -0.000 0.000 0.259 296 H C -0.910 174.391 175.328 -0.045 0.000 1.195 296 H CA -0.283 55.760 56.048 -0.009 0.000 1.112 296 H CB 0.702 30.500 29.762 0.060 0.000 1.638 296 H HN -0.108 nan 8.280 nan 0.000 0.624 297 F N 1.597 121.375 119.950 -0.286 0.000 2.553 297 F HA 0.374 4.901 4.527 -0.000 0.000 0.335 297 F C -1.095 174.580 175.800 -0.208 0.000 1.148 297 F CA -0.685 57.271 58.000 -0.072 0.000 0.963 297 F CB 0.739 39.844 39.000 0.175 0.000 1.217 297 F HN 0.061 nan 8.300 nan 0.000 0.441 298 H N 5.608 124.626 119.070 -0.085 0.000 2.538 298 H HA 0.683 5.239 4.556 -0.000 0.000 0.353 298 H C -1.053 174.295 175.328 0.033 0.000 1.109 298 H CA -0.794 55.275 56.048 0.036 0.000 1.192 298 H CB 1.956 31.744 29.762 0.045 0.000 1.555 298 H HN 0.470 nan 8.280 nan 0.000 0.518 299 L N 4.198 125.586 121.223 0.274 0.000 2.356 299 L HA 0.457 4.797 4.340 -0.000 0.000 0.277 299 L C -0.929 176.166 176.870 0.376 0.000 0.996 299 L CA -0.571 54.465 54.840 0.328 0.000 0.822 299 L CB 1.567 43.779 42.059 0.254 0.000 1.256 299 L HN 0.370 nan 8.230 nan 0.000 0.413 300 L N 2.742 124.209 121.223 0.406 0.000 2.334 300 L HA 0.577 4.916 4.340 -0.000 0.000 0.273 300 L C 0.123 177.099 176.870 0.176 0.000 1.013 300 L CA -0.734 54.256 54.840 0.251 0.000 0.816 300 L CB 2.137 44.291 42.059 0.158 0.000 1.278 300 L HN 0.577 nan 8.230 nan 0.000 0.431 301 R N 0.384 120.931 120.500 0.079 0.000 2.543 301 R HA 0.438 4.778 4.340 -0.000 0.000 0.277 301 R C -0.003 176.115 176.300 -0.304 0.000 1.074 301 R CA 0.063 56.114 56.100 -0.082 0.000 1.076 301 R CB 1.007 31.299 30.300 -0.012 0.000 0.993 301 R HN 0.848 nan 8.270 nan 0.000 0.459 302 G N 1.088 109.521 108.800 -0.612 0.000 2.667 302 G HA2 0.038 3.998 3.960 -0.000 0.000 0.310 302 G HA3 0.038 3.998 3.960 -0.000 0.000 0.310 302 G C 0.392 174.873 174.900 -0.698 0.000 1.259 302 G CA -0.679 43.821 45.100 -0.999 0.000 1.019 302 G HN 0.813 nan 8.290 nan 0.000 0.496 303 N N -0.847 117.376 118.700 -0.794 0.000 2.364 303 N HA -0.154 4.586 4.740 -0.000 0.000 0.183 303 N C 1.012 176.244 175.510 -0.464 0.000 1.022 303 N CA 1.124 53.741 53.050 -0.722 0.000 0.883 303 N CB -0.288 37.267 38.487 -1.552 0.000 0.965 303 N HN 0.602 nan 8.380 nan 0.000 0.438 304 H N -0.016 118.822 119.070 -0.386 0.000 2.548 304 H HA 0.149 4.704 4.556 -0.000 0.000 0.265 304 H C 0.057 175.256 175.328 -0.216 0.000 0.969 304 H CA 0.293 56.229 56.048 -0.186 0.000 1.155 304 H CB 0.474 30.159 29.762 -0.127 0.000 1.394 304 H HN 0.293 nan 8.280 nan 0.000 0.570 305 E N 1.400 121.416 120.200 -0.307 0.000 2.325 305 E HA 0.070 4.420 4.350 -0.000 0.000 0.295 305 E C -0.108 176.510 176.600 0.030 0.000 1.461 305 E CA -0.226 55.902 56.400 -0.453 0.000 1.698 305 E CB 0.183 29.418 29.700 -0.775 0.000 1.496 305 E HN 0.344 nan 8.360 nan 0.000 0.474 306 T N -3.639 111.035 114.554 0.200 0.000 2.868 306 T HA 0.258 4.608 4.350 -0.000 0.000 0.306 306 T C 0.314 175.227 174.700 0.355 0.000 1.224 306 T CA -0.936 61.322 62.100 0.264 0.000 1.012 306 T CB 1.626 70.607 68.868 0.189 0.000 1.221 306 T HN -0.236 nan 8.240 nan 0.000 0.499 307 D N 1.018 121.617 120.400 0.331 0.000 2.097 307 D HA -0.087 4.553 4.640 -0.000 0.000 0.195 307 D C 1.779 178.260 176.300 0.302 0.000 0.989 307 D CA 1.188 55.414 54.000 0.376 0.000 0.827 307 D CB -0.220 40.756 40.800 0.293 0.000 0.966 307 D HN 0.510 nan 8.370 nan 0.000 0.456 308 N N 0.155 118.994 118.700 0.231 0.000 2.149 308 N HA -0.100 4.640 4.740 -0.000 0.000 0.188 308 N C 1.765 177.402 175.510 0.211 0.000 1.019 308 N CA 0.803 53.964 53.050 0.185 0.000 0.857 308 N CB -0.167 38.416 38.487 0.160 0.000 0.997 308 N HN 0.201 nan 8.380 nan 0.000 0.426 309 M N 0.508 120.269 119.600 0.268 0.000 2.156 309 M HA -0.008 4.472 4.480 -0.000 0.000 0.264 309 M C 1.551 178.102 176.300 0.419 0.000 1.067 309 M CA 0.983 56.493 55.300 0.349 0.000 1.131 309 M CB -1.320 31.360 32.600 0.134 0.000 1.368 309 M HN 0.203 nan 8.290 nan 0.000 0.416 310 N N 0.153 119.099 118.700 0.409 0.000 2.166 310 N HA -0.227 4.513 4.740 -0.000 0.000 0.186 310 N C 1.797 177.435 175.510 0.214 0.000 1.019 310 N CA 0.929 54.245 53.050 0.443 0.000 0.856 310 N CB -0.142 38.742 38.487 0.661 0.000 0.993 310 N HN 0.446 nan 8.380 nan 0.000 0.426 311 Q N 0.765 120.647 119.800 0.136 0.000 2.124 311 Q HA -0.096 4.244 4.340 -0.000 0.000 0.202 311 Q C 1.713 177.695 176.000 -0.031 0.000 0.977 311 Q CA 1.201 57.009 55.803 0.008 0.000 0.850 311 Q CB 0.165 28.921 28.738 0.030 0.000 0.901 311 Q HN 0.438 nan 8.270 nan 0.000 0.429 312 I N -1.481 119.053 120.570 -0.061 0.000 2.628 312 I HA -0.115 4.055 4.170 -0.000 0.000 0.255 312 I C 0.721 176.651 176.117 -0.311 0.000 1.119 312 I CA 0.452 61.573 61.300 -0.298 0.000 1.448 312 I CB 0.260 37.882 38.000 -0.631 0.000 1.133 312 I HN 0.132 nan 8.210 nan 0.000 0.438 313 Y N 0.472 120.880 120.300 0.180 0.000 2.524 313 Y HA 0.405 4.955 4.550 -0.000 0.000 0.266 313 Y C 1.519 177.524 175.900 0.175 0.000 1.180 313 Y CA 0.198 58.416 58.100 0.196 0.000 1.244 313 Y CB 0.623 39.271 38.460 0.313 0.000 1.125 313 Y HN 0.219 nan 8.280 nan 0.000 0.524 314 G N -0.934 108.017 108.800 0.251 0.000 2.481 314 G HA2 -0.318 3.641 3.960 -0.000 0.000 0.200 314 G HA3 -0.318 3.641 3.960 -0.000 0.000 0.200 314 G C 0.979 176.003 174.900 0.207 0.000 1.012 314 G CA 0.155 45.382 45.100 0.212 0.000 0.676 314 G HN 0.255 nan 8.290 nan 0.000 0.488 315 F N 2.061 122.076 119.950 0.108 0.000 2.146 315 F HA 0.176 4.703 4.527 -0.000 0.000 0.298 315 F C 2.303 178.088 175.800 -0.025 0.000 1.096 315 F CA 2.377 60.416 58.000 0.065 0.000 1.275 315 F CB -0.097 39.011 39.000 0.180 0.000 1.008 315 F HN 0.352 nan 8.300 nan 0.000 0.480 316 E N -0.279 119.793 120.200 -0.213 0.000 2.077 316 E HA -0.168 4.181 4.350 -0.000 0.000 0.193 316 E C 2.458 178.806 176.600 -0.419 0.000 0.989 316 E CA 1.207 57.202 56.400 -0.675 0.000 0.800 316 E CB -0.713 28.512 29.700 -0.793 0.000 0.746 316 E HN 0.502 nan 8.360 nan 0.000 0.452 317 G N 0.851 109.526 108.800 -0.209 0.000 2.418 317 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.217 317 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.217 317 G C 1.426 176.239 174.900 -0.146 0.000 1.158 317 G CA 0.846 45.886 45.100 -0.099 0.000 0.771 317 G HN 0.375 nan 8.290 nan 0.000 0.545 318 E N -0.074 119.959 120.200 -0.280 0.000 2.077 318 E HA -0.104 4.246 4.350 -0.000 0.000 0.193 318 E C 2.637 178.933 176.600 -0.507 0.000 0.989 318 E CA 1.096 57.083 56.400 -0.689 0.000 0.800 318 E CB -0.058 29.246 29.700 -0.660 0.000 0.746 318 E HN 0.257 nan 8.360 nan 0.000 0.452 319 V N 1.263 120.901 119.914 -0.459 0.000 2.358 319 V HA -0.231 3.889 4.120 -0.000 0.000 0.246 319 V C 2.224 178.281 176.094 -0.062 0.000 1.047 319 V CA 1.900 64.059 62.300 -0.235 0.000 1.035 319 V CB -0.384 31.267 31.823 -0.288 0.000 0.658 319 V HN 0.216 nan 8.190 nan 0.000 0.452 320 K N 0.180 120.512 120.400 -0.114 0.000 2.148 320 K HA -0.073 4.247 4.320 -0.000 0.000 0.204 320 K C 2.246 178.821 176.600 -0.041 0.000 1.050 320 K CA 1.352 57.614 56.287 -0.041 0.000 0.942 320 K CB -0.309 32.154 32.500 -0.062 0.000 0.724 320 K HN 0.488 nan 8.250 nan 0.000 0.446 321 A N 1.533 124.300 122.820 -0.089 0.000 1.897 321 A HA -0.120 4.200 4.320 -0.000 0.000 0.215 321 A C 1.773 179.289 177.584 -0.113 0.000 1.181 321 A CA 1.267 53.270 52.037 -0.058 0.000 0.620 321 A CB -0.065 18.949 19.000 0.024 0.000 0.821 321 A HN 0.139 nan 8.150 nan 0.000 0.443 322 K N -2.489 117.779 120.400 -0.220 0.000 2.211 322 K HA 0.139 4.459 4.320 -0.000 0.000 0.201 322 K C 0.530 176.827 176.600 -0.503 0.000 1.052 322 K CA 0.812 56.870 56.287 -0.381 0.000 0.973 322 K CB 0.028 32.226 32.500 -0.503 0.000 0.766 322 K HN 0.573 nan 8.250 nan 0.000 0.466 323 Y N -0.163 120.134 120.300 -0.005 0.000 2.443 323 Y HA 0.176 4.726 4.550 -0.000 0.000 0.140 323 Y C 0.697 176.606 175.900 0.015 0.000 1.476 323 Y CA -0.527 57.587 58.100 0.022 0.000 1.595 323 Y CB 0.153 38.657 38.460 0.073 0.000 1.111 323 Y HN -0.152 nan 8.280 nan 0.000 0.340 324 T N -2.426 112.274 114.554 0.244 0.000 2.841 324 T HA 0.638 4.988 4.350 -0.000 0.000 0.296 324 T C 0.631 175.415 174.700 0.140 0.000 1.166 324 T CA -0.318 61.862 62.100 0.134 0.000 1.007 324 T CB 1.486 70.413 68.868 0.099 0.000 1.253 324 T HN 0.547 nan 8.240 nan 0.000 0.511 325 A N 0.231 123.115 122.820 0.107 0.000 1.940 325 A HA -0.121 4.199 4.320 -0.000 0.000 0.219 325 A C 2.270 179.950 177.584 0.161 0.000 1.176 325 A CA 2.001 54.122 52.037 0.139 0.000 0.631 325 A CB -1.213 17.844 19.000 0.096 0.000 0.814 325 A HN 0.893 nan 8.150 nan 0.000 0.446 326 Q N -1.850 118.012 119.800 0.103 0.000 2.061 326 Q HA -0.235 4.105 4.340 -0.000 0.000 0.204 326 Q C 2.143 178.186 176.000 0.071 0.000 0.984 326 Q CA 1.836 57.683 55.803 0.072 0.000 0.846 326 Q CB -0.283 28.477 28.738 0.035 0.000 0.902 326 Q HN 0.681 nan 8.270 nan 0.000 0.421 327 M N -0.408 119.246 119.600 0.090 0.000 2.117 327 M HA -0.210 4.270 4.480 -0.000 0.000 0.262 327 M C 1.859 178.262 176.300 0.172 0.000 1.065 327 M CA 1.525 56.864 55.300 0.065 0.000 1.114 327 M CB -0.395 32.243 32.600 0.064 0.000 1.361 327 M HN 0.254 nan 8.290 nan 0.000 0.408 328 Y N 0.602 120.991 120.300 0.148 0.000 2.145 328 Y HA -0.254 4.295 4.550 -0.000 0.000 0.286 328 Y C 2.244 178.231 175.900 0.144 0.000 1.145 328 Y CA 2.499 60.695 58.100 0.159 0.000 1.148 328 Y CB -0.656 37.823 38.460 0.032 0.000 0.981 328 Y HN 0.500 nan 8.280 nan 0.000 0.507 329 E N -0.317 119.843 120.200 -0.067 0.000 2.097 329 E HA -0.277 4.073 4.350 -0.000 0.000 0.196 329 E C 2.112 178.615 176.600 -0.161 0.000 1.000 329 E CA 1.582 57.904 56.400 -0.130 0.000 0.804 329 E CB -0.430 29.276 29.700 0.011 0.000 0.740 329 E HN 0.476 nan 8.360 nan 0.000 0.454 330 L N 0.008 121.156 121.223 -0.125 0.000 2.056 330 L HA -0.084 4.256 4.340 -0.000 0.000 0.207 330 L C 1.938 178.661 176.870 -0.246 0.000 1.078 330 L CA 1.589 56.327 54.840 -0.170 0.000 0.749 330 L CB -0.698 41.249 42.059 -0.185 0.000 0.901 330 L HN 0.154 nan 8.230 nan 0.000 0.433 331 F N -0.401 119.383 119.950 -0.276 0.000 2.091 331 F HA -0.266 4.261 4.527 -0.000 0.000 0.299 331 F C 3.027 178.398 175.800 -0.716 0.000 1.103 331 F CA 1.924 59.664 58.000 -0.434 0.000 1.228 331 F CB -1.190 37.640 39.000 -0.284 0.000 0.984 331 F HN 0.242 nan 8.300 nan 0.000 0.477 332 S N -0.366 115.086 115.700 -0.412 0.000 2.370 332 S HA -0.223 4.247 4.470 -0.000 0.000 0.226 332 S C 1.968 176.522 174.600 -0.077 0.000 1.033 332 S CA 1.789 59.831 58.200 -0.264 0.000 1.011 332 S CB -0.351 62.660 63.200 -0.315 0.000 0.852 332 S HN 0.511 nan 8.310 nan 0.000 0.457 333 E N -0.040 120.108 120.200 -0.088 0.000 2.106 333 E HA -0.068 4.282 4.350 -0.000 0.000 0.192 333 E C 2.155 178.807 176.600 0.086 0.000 0.984 333 E CA 1.292 57.690 56.400 -0.003 0.000 0.806 333 E CB -0.152 29.549 29.700 0.003 0.000 0.750 333 E HN 0.398 nan 8.360 nan 0.000 0.458 334 V N 0.951 120.886 119.914 0.035 0.000 2.358 334 V HA -0.229 3.891 4.120 -0.000 0.000 0.246 334 V C 1.940 178.240 176.094 0.343 0.000 1.047 334 V CA 1.436 63.806 62.300 0.117 0.000 1.035 334 V CB -0.514 31.252 31.823 -0.094 0.000 0.658 334 V HN 0.207 nan 8.190 nan 0.000 0.452 335 F N 0.912 121.024 119.950 0.271 0.000 2.192 335 F HA -0.158 4.369 4.527 -0.000 0.000 0.301 335 F C 2.434 178.326 175.800 0.154 0.000 1.079 335 F CA 1.110 59.273 58.000 0.272 0.000 1.303 335 F CB -1.056 38.092 39.000 0.247 0.000 1.024 335 F HN 0.319 nan 8.300 nan 0.000 0.494 336 E N -1.900 118.437 120.200 0.228 0.000 2.265 336 E HA -0.227 4.123 4.350 -0.000 0.000 0.196 336 E C 1.672 178.176 176.600 -0.161 0.000 0.996 336 E CA 1.082 57.459 56.400 -0.038 0.000 0.832 336 E CB -0.355 29.209 29.700 -0.225 0.000 0.756 336 E HN 0.531 nan 8.360 nan 0.000 0.491 337 W N 0.728 122.112 121.300 0.141 0.000 3.290 337 W HA 0.193 4.853 4.660 -0.000 0.000 0.287 337 W C 0.134 176.733 176.519 0.133 0.000 1.288 337 W CA -0.708 56.699 57.345 0.104 0.000 1.725 337 W CB 0.300 29.791 29.460 0.052 0.000 1.103 337 W HN -0.109 nan 8.180 nan 0.000 0.670 338 L N 2.905 124.346 121.223 0.363 0.000 2.540 338 L HA 0.045 4.385 4.340 -0.000 0.000 0.276 338 L C -1.743 175.273 176.870 0.244 0.000 1.212 338 L CA -1.596 53.436 54.840 0.321 0.000 0.893 338 L CB -0.070 42.188 42.059 0.333 0.000 1.138 338 L HN -0.413 nan 8.230 nan 0.000 0.491 339 P HA 0.025 nan 4.420 nan 0.000 0.270 339 P C 0.409 177.794 177.300 0.142 0.000 1.223 339 P CA -0.095 63.114 63.100 0.180 0.000 0.785 339 P CB 0.596 32.398 31.700 0.170 0.000 0.923 340 L N -0.294 120.998 121.223 0.115 0.000 2.513 340 L HA 0.413 4.753 4.340 -0.000 0.000 0.222 340 L C 0.931 177.848 176.870 0.079 0.000 1.096 340 L CA 0.365 55.258 54.840 0.089 0.000 0.857 340 L CB -0.055 42.058 42.059 0.090 0.000 1.026 340 L HN 0.392 nan 8.230 nan 0.000 0.469 341 A N -0.181 122.689 122.820 0.084 0.000 2.610 341 A HA 0.642 4.961 4.320 -0.000 0.000 0.291 341 A C -1.593 176.021 177.584 0.051 0.000 1.086 341 A CA -0.379 51.698 52.037 0.067 0.000 0.677 341 A CB 1.798 20.847 19.000 0.082 0.000 1.278 341 A HN 0.019 nan 8.150 nan 0.000 0.414 342 Q N -0.221 119.592 119.800 0.022 0.000 2.331 342 Q HA 0.571 4.910 4.340 -0.000 0.000 0.272 342 Q C -1.782 174.198 176.000 -0.033 0.000 1.062 342 Q CA -0.488 55.302 55.803 -0.021 0.000 0.806 342 Q CB 2.291 30.991 28.738 -0.064 0.000 1.312 342 Q HN 1.108 nan 8.270 nan 0.000 0.431 343 C N 5.751 125.026 119.300 -0.042 0.000 2.345 343 C HA 0.652 5.111 4.460 -0.000 0.000 0.323 343 C C -0.880 174.068 174.990 -0.070 0.000 1.276 343 C CA -0.579 58.412 59.018 -0.045 0.000 1.543 343 C CB 0.089 27.819 27.740 -0.017 0.000 2.211 343 C HN 0.738 nan 8.230 nan 0.000 0.493 344 I N 7.069 127.588 120.570 -0.085 0.000 2.321 344 I HA 0.351 4.521 4.170 -0.000 0.000 0.291 344 I C 0.609 176.689 176.117 -0.063 0.000 0.998 344 I CA 0.170 61.421 61.300 -0.081 0.000 1.227 344 I CB 0.568 38.514 38.000 -0.090 0.000 1.368 344 I HN 0.791 nan 8.210 nan 0.000 0.466 345 N N 4.685 123.358 118.700 -0.045 0.000 2.714 345 N HA -0.206 4.534 4.740 -0.000 0.000 0.250 345 N C 1.153 176.646 175.510 -0.029 0.000 1.117 345 N CA 1.323 54.355 53.050 -0.030 0.000 0.719 345 N CB -1.315 37.158 38.487 -0.023 0.000 1.081 345 N HN 1.093 nan 8.380 nan 0.000 0.557 346 G N -1.451 107.329 108.800 -0.033 0.000 2.187 346 G HA2 -0.391 3.569 3.960 -0.000 0.000 0.261 346 G HA3 -0.391 3.569 3.960 -0.000 0.000 0.261 346 G C 0.981 175.860 174.900 -0.034 0.000 1.000 346 G CA 1.207 46.289 45.100 -0.031 0.000 0.718 346 G HN 0.450 nan 8.290 nan 0.000 0.519 347 K N -1.511 118.860 120.400 -0.048 0.000 2.504 347 K HA 0.316 4.636 4.320 -0.000 0.000 0.203 347 K C 0.592 177.118 176.600 -0.123 0.000 1.350 347 K CA 0.602 56.858 56.287 -0.052 0.000 0.953 347 K CB 1.052 33.538 32.500 -0.024 0.000 1.243 347 K HN 0.335 nan 8.250 nan 0.000 0.534 348 V N 3.078 122.881 119.914 -0.184 0.000 2.409 348 V HA 0.345 4.465 4.120 -0.000 0.000 0.291 348 V C -0.741 175.235 176.094 -0.196 0.000 1.020 348 V CA -0.996 61.093 62.300 -0.351 0.000 0.848 348 V CB 1.668 33.201 31.823 -0.483 0.000 0.990 348 V HN 0.020 nan 8.190 nan 0.000 0.430 349 L N 6.927 128.067 121.223 -0.139 0.000 2.295 349 L HA 0.674 5.014 4.340 -0.000 0.000 0.285 349 L C -0.537 176.307 176.870 -0.043 0.000 1.035 349 L CA 0.178 54.999 54.840 -0.031 0.000 0.806 349 L CB 1.150 43.266 42.059 0.095 0.000 1.214 349 L HN 0.538 nan 8.230 nan 0.000 0.426 350 I N 7.041 127.595 120.570 -0.026 0.000 2.465 350 I HA 0.559 4.729 4.170 -0.000 0.000 0.291 350 I C -0.243 175.875 176.117 0.003 0.000 1.014 350 I CA -0.515 60.777 61.300 -0.013 0.000 1.093 350 I CB 1.699 39.690 38.000 -0.015 0.000 1.267 350 I HN 0.633 nan 8.210 nan 0.000 0.431 351 M N 3.861 123.456 119.600 -0.008 0.000 2.644 351 M HA 0.366 4.846 4.480 -0.000 0.000 0.273 351 M C -0.187 176.100 176.300 -0.022 0.000 1.253 351 M CA -0.556 54.736 55.300 -0.013 0.000 0.852 351 M CB 1.581 34.145 32.600 -0.062 0.000 1.708 351 M HN 0.616 nan 8.290 nan 0.000 0.471 352 H N 1.588 120.586 119.070 -0.119 0.000 2.299 352 H HA 0.199 4.754 4.556 -0.000 0.000 0.302 352 H C 1.411 176.628 175.328 -0.184 0.000 1.078 352 H CA 3.417 59.369 56.048 -0.161 0.000 1.323 352 H CB 0.098 29.703 29.762 -0.262 0.000 1.381 352 H HN 0.866 nan 8.280 nan 0.000 0.498 353 G N -1.808 106.805 108.800 -0.311 0.000 2.726 353 G HA2 0.452 4.412 3.960 -0.000 0.000 0.221 353 G HA3 0.452 4.412 3.960 -0.000 0.000 0.221 353 G C 0.509 175.345 174.900 -0.107 0.000 1.327 353 G CA 0.428 45.310 45.100 -0.363 0.000 0.884 353 G HN 0.800 nan 8.290 nan 0.000 0.581 354 G N -1.331 107.360 108.800 -0.181 0.000 2.441 354 G HA2 0.366 4.326 3.960 -0.000 0.000 0.225 354 G HA3 0.366 4.326 3.960 -0.000 0.000 0.225 354 G C -0.769 173.652 174.900 -0.797 0.000 1.200 354 G CA -0.495 44.452 45.100 -0.255 0.000 0.947 354 G HN 0.346 nan 8.290 nan 0.000 0.484 355 L N -0.557 119.836 121.223 -1.384 0.000 2.855 355 L HA 0.671 5.011 4.340 -0.000 0.000 0.204 355 L C -0.103 175.976 176.870 -1.317 0.000 1.206 355 L CA -0.621 53.216 54.840 -1.671 0.000 0.942 355 L CB 0.275 41.375 42.059 -1.598 0.000 1.832 355 L HN 0.378 nan 8.230 nan 0.000 0.522 356 F N -1.652 118.018 119.950 -0.466 0.000 2.523 356 F HA 0.200 4.727 4.527 -0.000 0.000 0.329 356 F C 1.214 176.974 175.800 -0.066 0.000 1.061 356 F CA -0.609 57.278 58.000 -0.188 0.000 0.967 356 F CB 1.493 40.414 39.000 -0.132 0.000 1.218 356 F HN 0.391 nan 8.300 nan 0.000 0.480 357 S N -1.298 114.518 115.700 0.194 0.000 2.515 357 S HA 0.079 4.548 4.470 -0.000 0.000 0.231 357 S C 0.055 174.732 174.600 0.127 0.000 0.987 357 S CA 0.363 58.648 58.200 0.140 0.000 0.936 357 S CB -0.436 62.834 63.200 0.116 0.000 0.766 357 S HN 0.539 nan 8.310 nan 0.000 0.528 358 E N 1.445 121.732 120.200 0.145 0.000 2.288 358 E HA 0.453 4.803 4.350 -0.000 0.000 0.268 358 E C -1.395 175.272 176.600 0.111 0.000 0.885 358 E CA -0.791 55.669 56.400 0.100 0.000 0.767 358 E CB 1.109 30.845 29.700 0.060 0.000 1.220 358 E HN 0.098 nan 8.360 nan 0.000 0.427 359 D N -0.108 120.346 120.400 0.091 0.000 2.357 359 D HA 0.365 5.005 4.640 -0.000 0.000 0.242 359 D C 1.183 177.521 176.300 0.064 0.000 1.153 359 D CA 0.997 55.056 54.000 0.099 0.000 0.918 359 D CB 0.871 41.719 40.800 0.081 0.000 1.181 359 D HN 0.681 nan 8.370 nan 0.000 0.435 360 G N -0.161 108.683 108.800 0.073 0.000 2.157 360 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.239 360 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.239 360 G C 0.238 175.123 174.900 -0.024 0.000 0.982 360 G CA 0.090 45.201 45.100 0.018 0.000 0.650 360 G HN 0.462 nan 8.290 nan 0.000 0.527 361 V N 2.092 121.986 119.914 -0.034 0.000 2.637 361 V HA 0.551 4.671 4.120 -0.000 0.000 0.296 361 V C 1.175 177.235 176.094 -0.057 0.000 1.046 361 V CA 0.725 62.914 62.300 -0.184 0.000 1.066 361 V CB 1.120 32.504 31.823 -0.731 0.000 0.968 361 V HN 0.811 nan 8.190 nan 0.000 0.483 362 T N 2.151 116.644 114.554 -0.101 0.000 2.950 362 T HA 0.562 4.912 4.350 -0.000 0.000 0.288 362 T C 0.999 175.680 174.700 -0.032 0.000 1.035 362 T CA -0.825 61.219 62.100 -0.094 0.000 1.028 362 T CB 1.313 70.128 68.868 -0.088 0.000 1.109 362 T HN 0.269 nan 8.240 nan 0.000 0.514 363 L N 0.219 121.419 121.223 -0.038 0.000 2.081 363 L HA -0.083 4.257 4.340 -0.000 0.000 0.212 363 L C 2.465 179.344 176.870 0.014 0.000 1.080 363 L CA 1.825 56.679 54.840 0.022 0.000 0.754 363 L CB -0.574 41.482 42.059 -0.005 0.000 0.893 363 L HN 0.806 nan 8.230 nan 0.000 0.433 364 D N -0.261 120.131 120.400 -0.014 0.000 2.178 364 D HA -0.184 4.456 4.640 -0.000 0.000 0.202 364 D C 1.737 178.033 176.300 -0.008 0.000 0.974 364 D CA 0.893 54.888 54.000 -0.008 0.000 0.841 364 D CB 0.108 40.898 40.800 -0.017 0.000 0.953 364 D HN 0.201 nan 8.370 nan 0.000 0.478 365 D N -0.171 120.212 120.400 -0.029 0.000 2.123 365 D HA -0.143 4.497 4.640 -0.000 0.000 0.196 365 D C 2.193 178.483 176.300 -0.017 0.000 0.992 365 D CA 0.718 54.692 54.000 -0.043 0.000 0.833 365 D CB -0.194 40.543 40.800 -0.105 0.000 0.954 365 D HN 0.385 nan 8.370 nan 0.000 0.455 366 I N 0.356 120.932 120.570 0.011 0.000 2.179 366 I HA -0.225 3.945 4.170 -0.000 0.000 0.242 366 I C 2.603 178.759 176.117 0.064 0.000 1.088 366 I CA 0.767 62.106 61.300 0.066 0.000 1.357 366 I CB -0.215 37.865 38.000 0.134 0.000 1.051 366 I HN -0.110 nan 8.210 nan 0.000 0.409 367 R N 1.412 121.943 120.500 0.052 0.000 2.117 367 R HA -0.191 4.149 4.340 -0.000 0.000 0.243 367 R C 1.983 178.313 176.300 0.050 0.000 1.143 367 R CA 1.629 57.759 56.100 0.051 0.000 0.968 367 R CB -0.026 30.295 30.300 0.036 0.000 0.863 367 R HN 0.277 nan 8.270 nan 0.000 0.444 368 K N -0.240 120.182 120.400 0.036 0.000 2.426 368 K HA 0.105 4.424 4.320 -0.000 0.000 0.193 368 K C 0.040 176.662 176.600 0.037 0.000 1.028 368 K CA -0.056 56.251 56.287 0.033 0.000 1.047 368 K CB 0.249 32.759 32.500 0.017 0.000 0.821 368 K HN 0.183 nan 8.250 nan 0.000 0.513 369 I N 2.673 123.268 120.570 0.043 0.000 2.668 369 I HA -0.097 4.073 4.170 -0.000 0.000 0.285 369 I C 0.183 176.328 176.117 0.046 0.000 1.168 369 I CA 0.501 61.827 61.300 0.043 0.000 1.424 369 I CB 0.358 38.393 38.000 0.057 0.000 1.377 369 I HN 0.052 nan 8.210 nan 0.000 0.560 370 E N 6.979 127.197 120.200 0.030 0.000 1.932 370 E HA 0.058 4.408 4.350 -0.000 0.000 0.275 370 E C 0.794 177.381 176.600 -0.023 0.000 1.159 370 E CA -0.206 56.204 56.400 0.016 0.000 0.905 370 E CB 0.485 30.193 29.700 0.012 0.000 1.059 370 E HN 0.526 nan 8.360 nan 0.000 0.400 371 R N 2.457 122.934 120.500 -0.038 0.000 2.300 371 R HA 0.002 4.342 4.340 -0.000 0.000 0.199 371 R C 0.241 176.426 176.300 -0.191 0.000 0.920 371 R CA -0.019 56.046 56.100 -0.058 0.000 1.046 371 R CB -0.040 30.268 30.300 0.013 0.000 0.984 371 R HN 0.187 nan 8.270 nan 0.000 0.493 372 N N 2.784 121.249 118.700 -0.393 0.000 3.050 372 N HA 0.009 4.748 4.740 -0.000 0.000 0.289 372 N C -0.852 174.430 175.510 -0.379 0.000 1.209 372 N CA -0.287 52.336 53.050 -0.712 0.000 1.154 372 N CB 0.194 37.776 38.487 -1.508 0.000 1.444 372 N HN 0.485 nan 8.380 nan 0.000 0.529 373 R N -1.261 119.109 120.500 -0.217 0.000 2.741 373 R HA 0.252 4.592 4.340 -0.000 0.000 0.276 373 R C -1.283 175.001 176.300 -0.026 0.000 1.028 373 R CA -0.939 55.102 56.100 -0.098 0.000 0.865 373 R CB 0.468 30.729 30.300 -0.064 0.000 1.268 373 R HN -0.076 nan 8.270 nan 0.000 0.475 374 Q N 1.471 121.281 119.800 0.017 0.000 2.352 374 Q HA 0.303 4.643 4.340 -0.000 0.000 0.260 374 Q C -2.051 173.987 176.000 0.063 0.000 0.976 374 Q CA -1.706 54.135 55.803 0.063 0.000 0.881 374 Q CB 0.754 29.540 28.738 0.081 0.000 1.235 374 Q HN 0.415 nan 8.270 nan 0.000 0.419 375 P HA 0.129 nan 4.420 nan 0.000 0.269 375 P C -2.324 175.022 177.300 0.078 0.000 1.215 375 P CA -1.004 62.157 63.100 0.100 0.000 0.780 375 P CB -0.290 31.512 31.700 0.169 0.000 0.898 376 P HA 0.100 nan 4.420 nan 0.000 0.272 376 P C 0.115 177.428 177.300 0.022 0.000 1.240 376 P CA 0.010 63.133 63.100 0.038 0.000 0.791 376 P CB 0.688 32.411 31.700 0.037 0.000 0.978 377 D N -1.210 119.186 120.400 -0.007 0.000 2.347 377 D HA 0.001 4.641 4.640 -0.000 0.000 0.215 377 D C 0.806 177.079 176.300 -0.046 0.000 0.976 377 D CA 0.951 54.920 54.000 -0.052 0.000 0.884 377 D CB 0.125 40.895 40.800 -0.050 0.000 0.915 377 D HN 0.472 nan 8.370 nan 0.000 0.526 378 S N -1.866 113.833 115.700 -0.002 0.000 2.596 378 S HA 0.667 5.137 4.470 -0.000 0.000 0.270 378 S C 0.104 174.734 174.600 0.050 0.000 1.155 378 S CA -0.134 58.077 58.200 0.019 0.000 0.827 378 S CB 2.402 65.609 63.200 0.013 0.000 1.130 378 S HN 0.322 nan 8.310 nan 0.000 0.467 379 G N 1.281 110.126 108.800 0.074 0.000 2.631 379 G HA2 0.023 3.983 3.960 -0.000 0.000 0.504 379 G HA3 0.023 3.983 3.960 -0.000 0.000 0.504 379 G C -2.572 172.422 174.900 0.156 0.000 1.306 379 G CA -0.176 44.980 45.100 0.092 0.000 0.897 379 G HN 0.676 nan 8.290 nan 0.000 0.520 380 P HA -0.091 nan 4.420 nan 0.000 0.215 380 P C 2.188 179.672 177.300 0.305 0.000 1.153 380 P CA 2.123 65.408 63.100 0.308 0.000 0.853 380 P CB -0.021 31.716 31.700 0.062 0.000 0.788 381 M N -1.159 118.548 119.600 0.179 0.000 2.159 381 M HA -0.186 4.294 4.480 -0.000 0.000 0.263 381 M C 2.182 178.579 176.300 0.163 0.000 1.063 381 M CA 1.789 57.179 55.300 0.150 0.000 1.110 381 M CB -0.824 31.837 32.600 0.103 0.000 1.374 381 M HN 0.011 nan 8.290 nan 0.000 0.411 382 C N 1.147 120.549 119.300 0.171 0.000 2.436 382 C HA -0.169 4.291 4.460 -0.000 0.000 0.277 382 C C 2.187 177.323 174.990 0.243 0.000 1.241 382 C CA 1.712 60.861 59.018 0.219 0.000 1.721 382 C CB -1.180 26.633 27.740 0.121 0.000 2.043 382 C HN 0.614 nan 8.230 nan 0.000 0.472 383 D N 0.653 121.150 120.400 0.163 0.000 2.123 383 D HA -0.122 4.518 4.640 -0.000 0.000 0.196 383 D C 2.109 178.347 176.300 -0.102 0.000 0.992 383 D CA 1.304 55.331 54.000 0.045 0.000 0.833 383 D CB -0.622 40.175 40.800 -0.004 0.000 0.954 383 D HN 0.528 nan 8.370 nan 0.000 0.455 384 L N 0.124 121.292 121.223 -0.092 0.000 2.127 384 L HA -0.149 4.190 4.340 -0.000 0.000 0.211 384 L C 2.323 179.123 176.870 -0.117 0.000 1.089 384 L CA 0.742 55.493 54.840 -0.148 0.000 0.757 384 L CB -0.151 41.910 42.059 0.004 0.000 0.899 384 L HN 0.053 nan 8.230 nan 0.000 0.434 385 L N -3.345 117.843 121.223 -0.059 0.000 2.416 385 L HA -0.051 4.289 4.340 -0.000 0.000 0.216 385 L C 1.564 178.127 176.870 -0.511 0.000 1.098 385 L CA 0.530 55.239 54.840 -0.218 0.000 0.840 385 L CB -0.053 41.900 42.059 -0.177 0.000 0.981 385 L HN 0.320 nan 8.230 nan 0.000 0.462 386 W N -0.903 120.280 121.300 -0.196 0.000 2.835 386 W HA 0.130 4.790 4.660 -0.000 0.000 0.278 386 W C 1.560 178.149 176.519 0.117 0.000 1.075 386 W CA -0.131 57.173 57.345 -0.069 0.000 1.439 386 W CB 0.427 29.912 29.460 0.041 0.000 0.927 386 W HN -0.101 nan 8.180 nan 0.000 0.604 387 S N 1.022 116.865 115.700 0.239 0.000 2.600 387 S HA 0.309 4.779 4.470 -0.000 0.000 0.265 387 S C -0.311 174.505 174.600 0.360 0.000 1.325 387 S CA -0.186 58.191 58.200 0.294 0.000 1.002 387 S CB 1.228 64.559 63.200 0.219 0.000 0.921 387 S HN -0.016 nan 8.310 nan 0.000 0.554 388 D N 1.458 122.023 120.400 0.276 0.000 2.671 388 D HA 0.489 5.129 4.640 -0.000 0.000 0.232 388 D C -2.788 173.245 176.300 -0.445 0.000 1.114 388 D CA -1.370 52.651 54.000 0.035 0.000 0.858 388 D CB 2.068 42.848 40.800 -0.033 0.000 1.544 388 D HN 0.373 nan 8.370 nan 0.000 0.471 389 P HA 0.100 nan 4.420 nan 0.000 0.274 389 P C -0.939 176.073 177.300 -0.480 0.000 1.231 389 P CA -0.211 62.214 63.100 -1.125 0.000 0.790 389 P CB 1.033 32.182 31.700 -0.919 0.000 0.951 390 Q N 2.252 121.889 119.800 -0.272 0.000 2.433 390 Q HA 0.509 4.849 4.340 -0.000 0.000 0.279 390 Q C -2.389 173.635 176.000 0.040 0.000 1.105 390 Q CA -2.130 53.614 55.803 -0.098 0.000 0.815 390 Q CB 1.892 30.582 28.738 -0.079 0.000 1.403 390 Q HN 0.134 nan 8.270 nan 0.000 0.435 391 P HA -0.139 nan 4.420 nan 0.000 0.224 391 P C -0.119 177.179 177.300 -0.003 0.000 1.157 391 P CA 1.068 64.188 63.100 0.034 0.000 0.799 391 P CB 0.287 31.985 31.700 -0.004 0.000 0.809 392 Q N 0.633 120.422 119.800 -0.019 0.000 2.260 392 Q HA 0.166 4.506 4.340 -0.000 0.000 0.242 392 Q C -0.278 175.700 176.000 -0.036 0.000 0.932 392 Q CA -0.558 55.230 55.803 -0.026 0.000 0.891 392 Q CB 0.410 29.137 28.738 -0.018 0.000 1.222 392 Q HN -0.066 nan 8.270 nan 0.000 0.453 393 N N 0.434 119.113 118.700 -0.035 0.000 2.395 393 N HA 0.367 5.107 4.740 -0.000 0.000 0.246 393 N C 0.509 176.016 175.510 -0.004 0.000 1.246 393 N CA 1.612 54.645 53.050 -0.029 0.000 0.879 393 N CB 0.505 38.981 38.487 -0.019 0.000 1.098 393 N HN 0.907 nan 8.380 nan 0.000 0.444 394 G N 0.848 109.656 108.800 0.014 0.000 2.384 394 G HA2 -0.098 3.862 3.960 -0.000 0.000 0.204 394 G HA3 -0.098 3.862 3.960 -0.000 0.000 0.204 394 G C -1.162 173.776 174.900 0.064 0.000 1.237 394 G CA -0.823 44.299 45.100 0.036 0.000 1.060 394 G HN 0.610 nan 8.290 nan 0.000 0.514 395 R N -0.666 119.873 120.500 0.065 0.000 2.725 395 R HA 0.742 5.081 4.340 -0.000 0.000 0.277 395 R C -0.981 175.353 176.300 0.056 0.000 0.987 395 R CA -0.625 55.525 56.100 0.084 0.000 0.901 395 R CB 2.229 32.591 30.300 0.104 0.000 1.207 395 R HN 0.619 nan 8.270 nan 0.000 0.463 396 S N 1.458 117.191 115.700 0.055 0.000 2.542 396 S HA 0.481 4.951 4.470 -0.000 0.000 0.293 396 S C -0.006 174.619 174.600 0.043 0.000 1.089 396 S CA -0.804 57.418 58.200 0.036 0.000 0.961 396 S CB 1.451 64.662 63.200 0.019 0.000 1.062 396 S HN 0.404 nan 8.310 nan 0.000 0.483 397 I N 2.351 122.940 120.570 0.032 0.000 2.752 397 I HA -0.013 4.157 4.170 -0.000 0.000 0.289 397 I C 0.997 177.130 176.117 0.027 0.000 1.197 397 I CA 0.269 61.586 61.300 0.028 0.000 1.432 397 I CB 0.518 38.528 38.000 0.016 0.000 1.359 397 I HN 0.542 nan 8.210 nan 0.000 0.571 398 S N 5.175 120.896 115.700 0.035 0.000 2.564 398 S HA 0.080 4.550 4.470 -0.000 0.000 0.278 398 S C 1.094 175.709 174.600 0.024 0.000 1.333 398 S CA -0.390 57.835 58.200 0.042 0.000 1.048 398 S CB 0.675 63.919 63.200 0.074 0.000 0.900 398 S HN 0.591 nan 8.310 nan 0.000 0.505 399 K N 2.727 123.140 120.400 0.021 0.000 2.442 399 K HA 0.023 4.343 4.320 -0.000 0.000 0.198 399 K C 1.944 178.558 176.600 0.025 0.000 1.042 399 K CA 0.850 57.145 56.287 0.014 0.000 0.958 399 K CB 0.013 32.515 32.500 0.003 0.000 0.766 399 K HN 0.560 nan 8.250 nan 0.000 0.474 400 R N -0.756 119.773 120.500 0.047 0.000 2.236 400 R HA -0.000 4.340 4.340 -0.000 0.000 0.208 400 R C 1.220 177.511 176.300 -0.014 0.000 1.036 400 R CA 0.768 56.909 56.100 0.068 0.000 1.001 400 R CB 0.183 30.597 30.300 0.190 0.000 0.896 400 R HN 0.352 nan 8.270 nan 0.000 0.464 401 G N 0.637 109.414 108.800 -0.037 0.000 2.175 401 G HA2 -0.244 3.715 3.960 -0.000 0.000 0.244 401 G HA3 -0.244 3.715 3.960 -0.000 0.000 0.244 401 G C -0.183 174.628 174.900 -0.148 0.000 0.982 401 G CA 0.114 45.167 45.100 -0.078 0.000 0.641 401 G HN 0.304 nan 8.290 nan 0.000 0.527 402 V N -1.006 118.797 119.914 -0.185 0.000 2.932 402 V HA 0.801 4.921 4.120 -0.000 0.000 0.307 402 V C 0.598 176.632 176.094 -0.100 0.000 1.147 402 V CA 1.173 63.307 62.300 -0.277 0.000 0.951 402 V CB 1.416 32.787 31.823 -0.752 0.000 1.031 402 V HN 2.260 nan 8.190 nan 0.000 0.426 403 S N 3.290 118.964 115.700 -0.044 0.000 3.368 403 S HA -0.186 4.284 4.470 -0.000 0.000 0.632 403 S C 0.054 174.705 174.600 0.084 0.000 2.690 403 S CA 1.222 59.460 58.200 0.064 0.000 3.124 403 S CB -1.369 61.929 63.200 0.163 0.000 0.317 403 S HN 2.782 nan 8.310 nan 0.000 1.617 404 C N 0.838 120.218 119.300 0.133 0.000 3.285 404 C HA 0.869 5.329 4.460 -0.000 0.000 0.320 404 C C -0.850 174.242 174.990 0.170 0.000 1.411 404 C CA -0.679 58.418 59.018 0.131 0.000 1.429 404 C CB 1.012 28.830 27.740 0.131 0.000 1.812 404 C HN 0.971 nan 8.230 nan 0.000 0.454 405 Q N 0.838 120.709 119.800 0.118 0.000 2.230 405 Q HA 0.667 5.007 4.340 -0.000 0.000 0.253 405 Q C -1.086 174.990 176.000 0.126 0.000 0.919 405 Q CA -0.117 55.724 55.803 0.062 0.000 0.908 405 Q CB 1.649 30.377 28.738 -0.017 0.000 1.245 405 Q HN 0.711 nan 8.270 nan 0.000 0.437 406 F N -1.140 118.846 119.950 0.060 0.000 2.507 406 F HA 0.802 5.329 4.527 -0.000 0.000 0.325 406 F C 0.220 176.089 175.800 0.115 0.000 1.116 406 F CA -1.117 56.925 58.000 0.069 0.000 0.930 406 F CB 0.809 39.839 39.000 0.050 0.000 1.146 406 F HN 0.514 nan 8.300 nan 0.000 0.447 407 G N 1.968 110.828 108.800 0.100 0.000 2.557 407 G HA2 0.483 4.443 3.960 -0.000 0.000 0.292 407 G HA3 0.483 4.443 3.960 -0.000 0.000 0.292 407 G C -2.132 172.548 174.900 -0.366 0.000 1.237 407 G CA -1.783 43.259 45.100 -0.097 0.000 0.978 407 G HN 0.477 nan 8.290 nan 0.000 0.498 408 P HA -0.060 nan 4.420 nan 0.000 0.221 408 P C 1.078 178.254 177.300 -0.207 0.000 1.150 408 P CA 1.379 64.024 63.100 -0.759 0.000 0.800 408 P CB 0.093 31.526 31.700 -0.446 0.000 0.787 409 D N 0.072 120.410 120.400 -0.102 0.000 2.144 409 D HA -0.117 4.523 4.640 -0.000 0.000 0.199 409 D C 1.887 178.222 176.300 0.059 0.000 0.984 409 D CA 0.879 54.877 54.000 -0.004 0.000 0.834 409 D CB -1.487 39.317 40.800 0.005 0.000 0.955 409 D HN 0.031 nan 8.370 nan 0.000 0.465 410 V N 1.032 121.001 119.914 0.092 0.000 2.287 410 V HA -0.264 3.855 4.120 -0.000 0.000 0.248 410 V C 2.672 178.887 176.094 0.202 0.000 1.053 410 V CA 2.377 64.776 62.300 0.164 0.000 1.027 410 V CB -1.044 30.921 31.823 0.236 0.000 0.646 410 V HN 0.313 nan 8.190 nan 0.000 0.447 411 T N -0.526 114.174 114.554 0.243 0.000 2.708 411 T HA -0.247 4.102 4.350 -0.000 0.000 0.266 411 T C 1.946 176.799 174.700 0.256 0.000 1.037 411 T CA 1.836 64.114 62.100 0.297 0.000 1.146 411 T CB -0.234 68.911 68.868 0.462 0.000 0.865 411 T HN 0.442 nan 8.240 nan 0.000 0.435 412 K N 1.112 121.614 120.400 0.170 0.000 2.044 412 K HA -0.115 4.205 4.320 -0.000 0.000 0.210 412 K C 2.486 179.164 176.600 0.130 0.000 1.049 412 K CA 1.399 57.767 56.287 0.134 0.000 0.927 412 K CB -0.359 32.190 32.500 0.081 0.000 0.713 412 K HN 0.289 nan 8.250 nan 0.000 0.443 413 A N 0.525 123.425 122.820 0.133 0.000 1.877 413 A HA -0.160 4.160 4.320 -0.000 0.000 0.216 413 A C 2.033 179.699 177.584 0.135 0.000 1.186 413 A CA 1.420 53.526 52.037 0.114 0.000 0.620 413 A CB -0.847 18.219 19.000 0.111 0.000 0.822 413 A HN 0.526 nan 8.150 nan 0.000 0.443 414 F N 0.616 120.603 119.950 0.062 0.000 2.134 414 F HA -0.141 4.386 4.527 -0.000 0.000 0.299 414 F C 1.900 177.735 175.800 0.058 0.000 1.097 414 F CA 1.765 59.803 58.000 0.064 0.000 1.264 414 F CB -0.199 38.849 39.000 0.080 0.000 1.001 414 F HN 0.141 nan 8.300 nan 0.000 0.479 415 L N -0.042 121.292 121.223 0.185 0.000 2.056 415 L HA -0.190 4.150 4.340 -0.000 0.000 0.207 415 L C 2.598 179.455 176.870 -0.021 0.000 1.078 415 L CA 1.712 56.602 54.840 0.084 0.000 0.749 415 L CB -0.897 41.267 42.059 0.176 0.000 0.901 415 L HN 0.214 nan 8.230 nan 0.000 0.433 416 E N 0.719 120.923 120.200 0.007 0.000 2.051 416 E HA -0.247 4.103 4.350 -0.000 0.000 0.192 416 E C 1.961 178.524 176.600 -0.062 0.000 0.991 416 E CA 1.502 57.895 56.400 -0.012 0.000 0.799 416 E CB 0.091 29.799 29.700 0.012 0.000 0.748 416 E HN 0.533 nan 8.360 nan 0.000 0.449 417 E N 0.116 120.258 120.200 -0.098 0.000 2.110 417 E HA -0.112 4.238 4.350 -0.000 0.000 0.193 417 E C 1.487 177.976 176.600 -0.184 0.000 0.988 417 E CA 0.848 57.171 56.400 -0.129 0.000 0.804 417 E CB 0.037 29.654 29.700 -0.138 0.000 0.745 417 E HN 0.200 nan 8.360 nan 0.000 0.458 418 N N 0.694 119.224 118.700 -0.284 0.000 2.230 418 N HA -0.020 4.719 4.740 -0.000 0.000 0.202 418 N C -0.184 175.229 175.510 -0.162 0.000 1.119 418 N CA 0.081 52.958 53.050 -0.288 0.000 0.851 418 N CB 0.539 38.701 38.487 -0.541 0.000 0.990 418 N HN 0.056 nan 8.380 nan 0.000 0.497 419 N N 0.736 119.371 118.700 -0.109 0.000 2.740 419 N HA -0.169 4.571 4.740 -0.000 0.000 0.248 419 N C -1.180 174.307 175.510 -0.037 0.000 1.062 419 N CA 0.452 53.468 53.050 -0.055 0.000 0.704 419 N CB -1.482 36.977 38.487 -0.046 0.000 0.968 419 N HN 0.297 nan 8.380 nan 0.000 0.547 420 L N -0.702 120.503 121.223 -0.031 0.000 2.334 420 L HA 0.452 4.792 4.340 -0.000 0.000 0.270 420 L C 1.192 178.094 176.870 0.053 0.000 1.018 420 L CA -1.046 53.796 54.840 0.003 0.000 0.811 420 L CB 0.993 43.062 42.059 0.017 0.000 1.271 420 L HN -0.072 nan 8.230 nan 0.000 0.443 421 D N -0.480 119.962 120.400 0.070 0.000 2.269 421 D HA 0.053 4.693 4.640 -0.000 0.000 0.220 421 D C -0.566 175.913 176.300 0.299 0.000 0.962 421 D CA 1.398 55.501 54.000 0.171 0.000 0.884 421 D CB 0.428 41.361 40.800 0.222 0.000 1.023 421 D HN 0.437 nan 8.370 nan 0.000 0.484 422 Y N -0.897 119.459 120.300 0.093 0.000 2.713 422 Y HA 0.459 5.009 4.550 -0.000 0.000 0.335 422 Y C -1.476 174.495 175.900 0.118 0.000 1.222 422 Y CA -1.856 56.313 58.100 0.115 0.000 1.061 422 Y CB 0.543 39.064 38.460 0.101 0.000 1.314 422 Y HN -0.158 nan 8.280 nan 0.000 0.453 423 I N 0.784 121.490 120.570 0.226 0.000 2.562 423 I HA 0.782 4.952 4.170 -0.000 0.000 0.301 423 I C -1.290 174.943 176.117 0.193 0.000 1.003 423 I CA -1.133 60.227 61.300 0.100 0.000 1.127 423 I CB 2.087 40.145 38.000 0.096 0.000 1.304 423 I HN 0.625 nan 8.210 nan 0.000 0.446 424 I N 4.875 125.496 120.570 0.085 0.000 2.406 424 I HA 0.527 4.697 4.170 -0.000 0.000 0.290 424 I C -0.348 175.813 176.117 0.074 0.000 0.999 424 I CA -0.581 60.801 61.300 0.138 0.000 1.124 424 I CB 1.669 39.742 38.000 0.121 0.000 1.289 424 I HN 0.760 nan 8.210 nan 0.000 0.441 425 R N 3.711 124.258 120.500 0.079 0.000 2.885 425 R HA 0.823 5.162 4.340 -0.000 0.000 0.260 425 R C -0.988 175.321 176.300 0.015 0.000 1.107 425 R CA -0.720 55.389 56.100 0.015 0.000 0.978 425 R CB 1.067 31.367 30.300 -0.000 0.000 1.227 425 R HN 0.410 nan 8.270 nan 0.000 0.473 426 S N -1.999 113.649 115.700 -0.087 0.000 4.383 426 S HA 0.278 4.748 4.470 -0.000 0.000 0.216 426 S C -0.487 174.068 174.600 -0.075 0.000 1.122 426 S CA 0.276 58.449 58.200 -0.044 0.000 1.745 426 S CB -0.194 62.997 63.200 -0.015 0.000 1.094 426 S HN 0.997 nan 8.310 nan 0.000 0.754 427 H N 0.919 119.822 119.070 -0.278 0.000 3.642 427 H HA -0.132 4.424 4.556 -0.000 0.000 0.185 427 H C -0.570 174.695 175.328 -0.105 0.000 0.992 427 H CA 1.574 57.449 56.048 -0.289 0.000 1.216 427 H CB -1.082 28.339 29.762 -0.568 0.000 1.055 427 H HN 0.477 nan 8.280 nan 0.000 0.351 428 E N -0.204 119.916 120.200 -0.134 0.000 2.292 428 E HA 0.480 4.830 4.350 -0.000 0.000 0.272 428 E C -0.806 175.389 176.600 -0.674 0.000 0.881 428 E CA -0.485 55.699 56.400 -0.360 0.000 0.754 428 E CB 3.119 32.643 29.700 -0.294 0.000 1.201 428 E HN 0.087 nan 8.360 nan 0.000 0.425 429 V N 3.252 122.555 119.914 -1.018 0.000 2.637 429 V HA 0.193 4.312 4.120 -0.000 0.000 0.296 429 V C -0.857 174.817 176.094 -0.700 0.000 1.046 429 V CA 0.326 61.763 62.300 -1.437 0.000 1.066 429 V CB 0.536 31.644 31.823 -1.193 0.000 0.968 429 V HN 0.500 nan 8.190 nan 0.000 0.483 430 K N 5.223 125.299 120.400 -0.540 0.000 2.378 430 K HA 0.559 4.879 4.320 -0.000 0.000 0.252 430 K C 0.670 177.130 176.600 -0.233 0.000 0.931 430 K CA 0.026 56.124 56.287 -0.315 0.000 0.794 430 K CB 1.872 34.219 32.500 -0.255 0.000 1.181 430 K HN 0.693 nan 8.250 nan 0.000 0.425 431 A N 2.105 124.798 122.820 -0.211 0.000 1.940 431 A HA -0.160 4.160 4.320 -0.000 0.000 0.219 431 A C 1.206 178.705 177.584 -0.142 0.000 1.176 431 A CA 1.562 53.506 52.037 -0.155 0.000 0.631 431 A CB -0.076 18.838 19.000 -0.143 0.000 0.814 431 A HN 0.654 nan 8.150 nan 0.000 0.446 432 E N -1.698 118.379 120.200 -0.205 0.000 2.479 432 E HA 0.223 4.573 4.350 -0.000 0.000 0.193 432 E C 1.276 177.820 176.600 -0.093 0.000 1.049 432 E CA 0.658 56.942 56.400 -0.193 0.000 0.870 432 E CB 0.122 29.607 29.700 -0.358 0.000 0.944 432 E HN 0.780 nan 8.360 nan 0.000 0.492 433 G N 1.317 110.076 108.800 -0.069 0.000 2.199 433 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.254 433 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.254 433 G C 0.038 175.045 174.900 0.180 0.000 0.982 433 G CA 0.765 45.912 45.100 0.078 0.000 0.632 433 G HN 0.339 nan 8.290 nan 0.000 0.529 434 Y N -1.474 118.750 120.300 -0.126 0.000 2.656 434 Y HA 0.837 5.387 4.550 -0.000 0.000 0.334 434 Y C -0.875 174.866 175.900 -0.265 0.000 1.179 434 Y CA -1.221 56.767 58.100 -0.187 0.000 1.050 434 Y CB 0.900 39.116 38.460 -0.407 0.000 1.308 434 Y HN 0.339 nan 8.280 nan 0.000 0.456 435 E N 0.950 121.019 120.200 -0.219 0.000 2.372 435 E HA 0.683 5.033 4.350 -0.000 0.000 0.279 435 E C -2.284 174.266 176.600 -0.083 0.000 0.946 435 E CA -1.034 55.195 56.400 -0.284 0.000 0.769 435 E CB 2.841 32.398 29.700 -0.239 0.000 1.230 435 E HN 0.668 nan 8.360 nan 0.000 0.442 436 V N 2.612 122.478 119.914 -0.080 0.000 2.349 436 V HA 0.683 4.802 4.120 -0.000 0.000 0.284 436 V C 0.002 176.077 176.094 -0.030 0.000 1.014 436 V CA -0.323 61.982 62.300 0.007 0.000 0.826 436 V CB 0.638 32.502 31.823 0.069 0.000 1.009 436 V HN 0.754 nan 8.190 nan 0.000 0.431 437 A N 2.593 125.380 122.820 -0.055 0.000 2.263 437 A HA 0.773 5.093 4.320 -0.000 0.000 0.318 437 A C 0.501 178.119 177.584 0.057 0.000 1.111 437 A CA -0.524 51.465 52.037 -0.078 0.000 0.901 437 A CB 0.230 19.061 19.000 -0.281 0.000 1.280 437 A HN 1.091 nan 8.150 nan 0.000 0.503 438 H N -1.080 117.996 119.070 0.010 0.000 2.770 438 H HA -0.193 4.363 4.556 -0.000 0.000 0.309 438 H C 1.224 176.580 175.328 0.046 0.000 1.206 438 H CA 0.792 56.863 56.048 0.038 0.000 1.147 438 H CB -1.514 28.296 29.762 0.080 0.000 1.422 438 H HN 2.094 nan 8.280 nan 0.000 0.420 439 G N -1.068 107.813 108.800 0.135 0.000 2.203 439 G HA2 -0.148 3.812 3.960 -0.000 0.000 0.263 439 G HA3 -0.148 3.812 3.960 -0.000 0.000 0.263 439 G C 1.139 176.081 174.900 0.070 0.000 1.012 439 G CA 1.311 46.460 45.100 0.081 0.000 0.749 439 G HN 1.650 nan 8.290 nan 0.000 0.512 440 G N -1.581 107.263 108.800 0.072 0.000 2.284 440 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.201 440 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.201 440 G C 0.980 175.916 174.900 0.060 0.000 0.998 440 G CA 0.784 45.903 45.100 0.031 0.000 0.651 440 G HN 0.851 nan 8.290 nan 0.000 0.489 441 R N -0.719 119.877 120.500 0.160 0.000 2.240 441 R HA 0.329 4.669 4.340 -0.000 0.000 0.203 441 R C 0.744 177.219 176.300 0.292 0.000 1.011 441 R CA 1.067 57.319 56.100 0.253 0.000 1.007 441 R CB 0.299 30.763 30.300 0.273 0.000 0.911 441 R HN 0.402 nan 8.270 nan 0.000 0.468 442 C N 1.329 120.746 119.300 0.195 0.000 2.455 442 C HA 0.441 4.901 4.460 -0.000 0.000 0.321 442 C C -0.452 174.589 174.990 0.085 0.000 1.102 442 C CA -0.778 58.317 59.018 0.128 0.000 1.413 442 C CB 0.104 27.799 27.740 -0.075 0.000 1.952 442 C HN 0.002 nan 8.230 nan 0.000 0.428 443 V N 5.870 125.901 119.914 0.194 0.000 2.439 443 V HA 0.484 4.604 4.120 -0.000 0.000 0.282 443 V C 0.613 176.809 176.094 0.171 0.000 1.039 443 V CA 0.109 62.540 62.300 0.218 0.000 0.913 443 V CB 1.983 34.020 31.823 0.356 0.000 0.983 443 V HN 0.866 nan 8.190 nan 0.000 0.460 444 T N 4.513 119.146 114.554 0.132 0.000 2.771 444 T HA 0.504 4.854 4.350 -0.000 0.000 0.281 444 T C -0.570 174.253 174.700 0.204 0.000 0.982 444 T CA -0.240 61.924 62.100 0.108 0.000 0.978 444 T CB 1.558 70.430 68.868 0.005 0.000 0.930 444 T HN 0.480 nan 8.240 nan 0.000 0.447 445 V N 5.060 125.109 119.914 0.225 0.000 2.495 445 V HA 0.805 4.925 4.120 -0.000 0.000 0.298 445 V C -1.681 174.580 176.094 0.278 0.000 1.031 445 V CA -0.940 61.529 62.300 0.281 0.000 0.871 445 V CB 1.395 33.384 31.823 0.277 0.000 0.988 445 V HN 0.830 nan 8.190 nan 0.000 0.432 446 F N 4.435 124.447 119.950 0.103 0.000 2.536 446 F HA 0.570 5.097 4.527 -0.000 0.000 0.322 446 F C 0.529 176.388 175.800 0.099 0.000 1.144 446 F CA -0.089 57.951 58.000 0.066 0.000 0.924 446 F CB 2.572 41.565 39.000 -0.012 0.000 1.181 446 F HN 0.416 nan 8.300 nan 0.000 0.438 447 S N 4.260 119.789 115.700 -0.284 0.000 2.601 447 S HA 0.446 4.915 4.470 -0.000 0.000 0.244 447 S C 0.068 174.663 174.600 -0.008 0.000 1.001 447 S CA 0.004 58.223 58.200 0.031 0.000 0.984 447 S CB 0.376 63.730 63.200 0.257 0.000 0.842 447 S HN 0.656 nan 8.310 nan 0.000 0.474 448 A N 3.802 126.438 122.820 -0.307 0.000 2.511 448 A HA 0.594 4.914 4.320 -0.000 0.000 0.340 448 A C -2.763 174.941 177.584 0.199 0.000 1.396 448 A CA -1.813 50.224 52.037 -0.001 0.000 0.887 448 A CB 0.371 19.389 19.000 0.029 0.000 1.145 448 A HN 0.128 nan 8.150 nan 0.000 0.497 449 P HA 0.069 nan 4.420 nan 0.000 0.274 449 P C 0.038 177.446 177.300 0.181 0.000 1.231 449 P CA -0.033 63.116 63.100 0.081 0.000 0.790 449 P CB 0.457 32.141 31.700 -0.026 0.000 0.951 450 N N 0.653 119.446 118.700 0.155 0.000 2.686 450 N HA -0.278 4.462 4.740 -0.000 0.000 0.261 450 N C -0.869 174.761 175.510 0.201 0.000 1.001 450 N CA 0.412 53.554 53.050 0.154 0.000 0.764 450 N CB -2.054 36.505 38.487 0.120 0.000 0.898 450 N HN 0.455 nan 8.380 nan 0.000 0.544 451 Y N 1.024 121.409 120.300 0.142 0.000 2.810 451 Y HA 0.045 4.595 4.550 -0.000 0.000 0.332 451 Y C 1.484 177.441 175.900 0.096 0.000 1.243 451 Y CA 0.720 58.917 58.100 0.162 0.000 1.537 451 Y CB 0.038 38.634 38.460 0.228 0.000 1.265 451 Y HN 0.464 nan 8.280 nan 0.000 0.572 452 C N 5.804 124.755 119.300 -0.583 0.000 4.331 452 C HA -0.268 4.191 4.460 -0.000 0.000 0.293 452 C C 0.665 175.565 174.990 -0.150 0.000 1.436 452 C CA 0.834 59.565 59.018 -0.479 0.000 1.993 452 C CB -2.617 24.691 27.740 -0.719 0.000 1.266 452 C HN 1.071 nan 8.230 nan 0.000 0.795 453 D N -1.905 118.488 120.400 -0.011 0.000 3.039 453 D HA -0.220 4.420 4.640 -0.000 0.000 0.222 453 D C 0.888 177.208 176.300 0.033 0.000 1.179 453 D CA 1.841 55.883 54.000 0.070 0.000 0.880 453 D CB -0.834 40.034 40.800 0.113 0.000 1.115 453 D HN 0.849 nan 8.370 nan 0.000 0.416 454 Q N -1.716 118.094 119.800 0.017 0.000 2.519 454 Q HA 0.274 4.614 4.340 -0.000 0.000 0.248 454 Q C 2.104 178.130 176.000 0.043 0.000 0.804 454 Q CA -0.271 55.545 55.803 0.021 0.000 0.979 454 Q CB 0.288 29.027 28.738 0.002 0.000 1.282 454 Q HN 0.200 nan 8.270 nan 0.000 0.558 455 M N -0.034 119.615 119.600 0.082 0.000 2.460 455 M HA 0.030 4.510 4.480 -0.000 0.000 0.263 455 M C 1.120 177.448 176.300 0.048 0.000 1.071 455 M CA 1.439 56.789 55.300 0.083 0.000 1.096 455 M CB -0.106 32.586 32.600 0.153 0.000 1.408 455 M HN 0.506 nan 8.290 nan 0.000 0.463 456 G N 2.523 111.356 108.800 0.055 0.000 2.166 456 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.260 456 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.260 456 G C 0.034 174.947 174.900 0.022 0.000 0.986 456 G CA 0.566 45.686 45.100 0.034 0.000 0.683 456 G HN 0.683 nan 8.290 nan 0.000 0.527 457 N N 0.238 118.958 118.700 0.034 0.000 2.508 457 N HA 0.265 5.005 4.740 -0.000 0.000 0.264 457 N C 0.249 175.761 175.510 0.003 0.000 1.216 457 N CA -0.017 53.036 53.050 0.005 0.000 0.943 457 N CB 1.047 39.535 38.487 0.002 0.000 1.113 457 N HN 0.389 nan 8.380 nan 0.000 0.447 458 K N 0.287 120.666 120.400 -0.036 0.000 2.180 458 K HA 0.414 4.733 4.320 -0.000 0.000 0.251 458 K C -0.094 176.435 176.600 -0.118 0.000 1.014 458 K CA -0.478 55.760 56.287 -0.082 0.000 0.913 458 K CB 0.628 33.087 32.500 -0.068 0.000 1.008 458 K HN 0.756 nan 8.250 nan 0.000 0.490 459 A N 0.670 123.271 122.820 -0.365 0.000 2.346 459 A HA 0.668 4.988 4.320 -0.000 0.000 0.313 459 A C -0.732 176.593 177.584 -0.433 0.000 1.140 459 A CA -0.541 51.217 52.037 -0.465 0.000 0.826 459 A CB 1.456 19.901 19.000 -0.925 0.000 1.332 459 A HN 0.698 nan 8.150 nan 0.000 0.457 460 S N -1.084 114.580 115.700 -0.060 0.000 2.607 460 S HA 0.840 5.310 4.470 -0.000 0.000 0.273 460 S C -1.036 173.806 174.600 0.403 0.000 1.148 460 S CA -0.535 57.770 58.200 0.176 0.000 0.833 460 S CB 1.102 64.424 63.200 0.204 0.000 1.130 460 S HN 1.605 nan 8.310 nan 0.000 0.470 461 Y N -0.721 119.786 120.300 0.345 0.000 2.605 461 Y HA 0.858 5.408 4.550 -0.000 0.000 0.343 461 Y C -0.975 174.953 175.900 0.045 0.000 1.036 461 Y CA -1.605 56.590 58.100 0.158 0.000 1.065 461 Y CB 0.816 39.311 38.460 0.059 0.000 1.288 461 Y HN 0.685 nan 8.280 nan 0.000 0.481 462 I N 2.158 122.827 120.570 0.165 0.000 2.412 462 I HA 0.324 4.494 4.170 -0.000 0.000 0.296 462 I C -0.595 175.579 176.117 0.095 0.000 0.987 462 I CA -0.648 60.622 61.300 -0.050 0.000 1.180 462 I CB 1.357 39.290 38.000 -0.112 0.000 1.340 462 I HN 0.707 nan 8.210 nan 0.000 0.455 463 H N 6.093 125.114 119.070 -0.080 0.000 2.458 463 H HA 0.618 5.174 4.556 -0.000 0.000 0.330 463 H C -0.905 174.362 175.328 -0.101 0.000 1.111 463 H CA -0.853 55.152 56.048 -0.071 0.000 1.245 463 H CB 1.676 31.416 29.762 -0.038 0.000 1.456 463 H HN 0.292 nan 8.280 nan 0.000 0.488 464 L N 3.058 124.302 121.223 0.033 0.000 2.370 464 L HA 0.383 4.722 4.340 -0.000 0.000 0.266 464 L C -0.629 176.224 176.870 -0.028 0.000 1.002 464 L CA -0.884 53.956 54.840 0.000 0.000 0.818 464 L CB 2.102 44.160 42.059 -0.002 0.000 1.325 464 L HN 0.626 nan 8.230 nan 0.000 0.418 465 Q N 0.557 120.347 119.800 -0.016 0.000 2.413 465 Q HA 0.440 4.780 4.340 -0.000 0.000 0.276 465 Q C 0.597 176.590 176.000 -0.012 0.000 1.099 465 Q CA -0.675 55.112 55.803 -0.027 0.000 0.814 465 Q CB 2.153 30.875 28.738 -0.027 0.000 1.379 465 Q HN 0.705 nan 8.270 nan 0.000 0.436 466 G N 1.166 109.957 108.800 -0.014 0.000 2.450 466 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.220 466 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.220 466 G C 1.347 176.247 174.900 -0.000 0.000 1.130 466 G CA 1.271 46.368 45.100 -0.006 0.000 0.760 466 G HN 0.725 nan 8.290 nan 0.000 0.557 467 S N -1.423 114.276 115.700 -0.001 0.000 2.522 467 S HA 0.099 4.569 4.470 -0.000 0.000 0.227 467 S C 0.430 175.035 174.600 0.008 0.000 0.986 467 S CA 0.798 58.999 58.200 0.003 0.000 0.929 467 S CB 0.353 63.553 63.200 -0.000 0.000 0.769 467 S HN 0.204 nan 8.310 nan 0.000 0.529 468 D N -0.002 120.404 120.400 0.011 0.000 2.312 468 D HA 0.219 4.859 4.640 -0.000 0.000 0.229 468 D C -0.025 176.292 176.300 0.029 0.000 1.337 468 D CA -0.264 53.747 54.000 0.018 0.000 0.964 468 D CB 0.412 41.217 40.800 0.010 0.000 1.456 468 D HN 0.160 nan 8.370 nan 0.000 0.547 469 L N 2.120 123.376 121.223 0.055 0.000 2.627 469 L HA 0.237 4.577 4.340 -0.000 0.000 0.233 469 L C 1.214 178.185 176.870 0.168 0.000 1.144 469 L CA 0.185 55.083 54.840 0.096 0.000 0.892 469 L CB -0.115 42.004 42.059 0.099 0.000 1.039 469 L HN 0.025 nan 8.230 nan 0.000 0.442 470 R N 1.790 122.337 120.500 0.078 0.000 2.491 470 R HA 0.150 4.490 4.340 -0.000 0.000 0.283 470 R C -2.131 174.122 176.300 -0.078 0.000 1.072 470 R CA -1.640 54.454 56.100 -0.010 0.000 1.048 470 R CB -0.048 30.226 30.300 -0.043 0.000 0.983 470 R HN -0.103 nan 8.270 nan 0.000 0.450 471 P HA 0.003 nan 4.420 nan 0.000 0.276 471 P C -1.174 175.792 177.300 -0.557 0.000 1.230 471 P CA -0.022 62.840 63.100 -0.395 0.000 0.776 471 P CB 0.822 32.176 31.700 -0.575 0.000 0.888 472 Q N 2.247 121.744 119.800 -0.506 0.000 2.333 472 Q HA 0.426 4.766 4.340 -0.000 0.000 0.265 472 Q C -0.847 174.820 176.000 -0.555 0.000 0.989 472 Q CA -0.497 55.066 55.803 -0.399 0.000 0.842 472 Q CB 1.115 29.765 28.738 -0.146 0.000 1.262 472 Q HN 0.386 nan 8.270 nan 0.000 0.451 473 F N 1.103 120.878 119.950 -0.291 0.000 2.394 473 F HA 0.271 4.798 4.527 -0.000 0.000 0.340 473 F C 0.239 175.823 175.800 -0.359 0.000 1.105 473 F CA -0.537 57.211 58.000 -0.420 0.000 1.124 473 F CB 0.904 39.380 39.000 -0.874 0.000 1.145 473 F HN 0.526 nan 8.300 nan 0.000 0.505 474 H N 2.685 121.535 119.070 -0.366 0.000 2.708 474 H HA 0.344 4.900 4.556 -0.000 0.000 0.320 474 H C -0.848 174.268 175.328 -0.354 0.000 0.991 474 H CA -0.652 55.105 56.048 -0.485 0.000 1.243 474 H CB 0.748 29.960 29.762 -0.917 0.000 1.446 474 H HN 0.661 nan 8.280 nan 0.000 0.502 475 Q N 4.103 123.847 119.800 -0.092 0.000 2.259 475 Q HA 0.323 4.663 4.340 -0.000 0.000 0.246 475 Q C -1.037 175.120 176.000 0.261 0.000 0.920 475 Q CA -0.689 55.149 55.803 0.059 0.000 0.895 475 Q CB 1.722 30.466 28.738 0.010 0.000 1.220 475 Q HN 0.548 nan 8.270 nan 0.000 0.439 476 F N -2.299 117.718 119.950 0.111 0.000 2.686 476 F HA 0.702 5.229 4.527 -0.000 0.000 0.311 476 F C -0.761 175.114 175.800 0.125 0.000 1.128 476 F CA -1.075 57.012 58.000 0.145 0.000 0.946 476 F CB 1.078 40.212 39.000 0.223 0.000 1.336 476 F HN 0.464 nan 8.300 nan 0.000 0.457 477 T N -0.470 114.230 114.554 0.244 0.000 2.940 477 T HA 0.851 5.201 4.350 -0.000 0.000 0.288 477 T C -0.128 174.706 174.700 0.223 0.000 1.045 477 T CA -0.552 61.623 62.100 0.124 0.000 1.018 477 T CB 1.367 70.292 68.868 0.095 0.000 1.151 477 T HN 1.239 nan 8.240 nan 0.000 0.529 478 A N 0.892 123.807 122.820 0.158 0.000 2.445 478 A HA 0.582 4.902 4.320 -0.000 0.000 0.242 478 A C 0.670 178.355 177.584 0.169 0.000 1.075 478 A CA -0.283 51.869 52.037 0.192 0.000 0.777 478 A CB -0.485 18.612 19.000 0.162 0.000 1.013 478 A HN 1.598 nan 8.150 nan 0.000 0.493 479 V N -0.378 119.644 119.914 0.181 0.000 2.994 479 V HA 0.758 4.878 4.120 -0.000 0.000 0.318 479 V C -2.674 173.472 176.094 0.086 0.000 1.085 479 V CA -2.409 59.968 62.300 0.127 0.000 0.998 479 V CB 0.727 32.631 31.823 0.135 0.000 1.063 479 V HN 0.737 nan 8.190 nan 0.000 0.447 480 P HA 0.401 nan 4.420 nan 0.000 0.269 480 P C -1.166 176.045 177.300 -0.149 0.000 1.209 480 P CA 0.492 63.527 63.100 -0.109 0.000 0.776 480 P CB 0.068 31.711 31.700 -0.094 0.000 0.876 481 H N -0.902 118.045 119.070 -0.205 0.000 2.949 481 H HA 0.720 5.276 4.556 -0.000 0.000 0.356 481 H C -2.738 172.373 175.328 -0.361 0.000 1.212 481 H CA -2.607 53.111 56.048 -0.551 0.000 1.136 481 H CB -0.757 28.787 29.762 -0.364 0.000 1.869 481 H HN 0.136 nan 8.280 nan 0.000 0.556 482 P HA 0.042 nan 4.420 nan 0.000 0.270 482 P C -0.214 177.247 177.300 0.268 0.000 1.227 482 P CA -0.347 62.776 63.100 0.039 0.000 0.788 482 P CB 0.453 32.211 31.700 0.096 0.000 0.926 483 N N 0.851 119.635 118.700 0.139 0.000 3.103 483 N HA 0.121 4.861 4.740 -0.000 0.000 0.305 483 N C -1.371 174.206 175.510 0.113 0.000 1.232 483 N CA 0.165 53.282 53.050 0.111 0.000 1.190 483 N CB -0.825 37.686 38.487 0.040 0.000 1.461 483 N HN 0.013 nan 8.380 nan 0.000 0.538 484 V N 2.002 122.019 119.914 0.171 0.000 2.588 484 V HA 0.331 4.451 4.120 -0.000 0.000 0.304 484 V C 0.266 176.338 176.094 -0.036 0.000 1.042 484 V CA -1.083 61.214 62.300 -0.004 0.000 0.877 484 V CB 1.904 33.651 31.823 -0.127 0.000 0.996 484 V HN 0.264 nan 8.190 nan 0.000 0.425 485 K N 4.150 124.495 120.400 -0.091 0.000 2.202 485 K HA 0.397 4.717 4.320 -0.000 0.000 0.264 485 K C -2.539 173.980 176.600 -0.134 0.000 1.010 485 K CA -1.479 54.765 56.287 -0.073 0.000 0.940 485 K CB 0.657 33.113 32.500 -0.073 0.000 0.983 485 K HN 0.378 nan 8.250 nan 0.000 0.475 486 P HA -0.002 nan 4.420 nan 0.000 0.269 486 P C -0.133 177.113 177.300 -0.090 0.000 1.209 486 P CA 0.127 63.155 63.100 -0.119 0.000 0.776 486 P CB 0.417 32.039 31.700 -0.130 0.000 0.876 487 M N 1.247 120.816 119.600 -0.051 0.000 2.899 487 M HA -0.295 4.185 4.480 -0.000 0.000 0.195 487 M C 1.049 177.316 176.300 -0.055 0.000 0.603 487 M CA 1.148 56.447 55.300 -0.002 0.000 0.712 487 M CB -1.852 30.757 32.600 0.015 0.000 2.569 487 M HN 0.430 nan 8.290 nan 0.000 0.406 488 A N -1.002 121.723 122.820 -0.159 0.000 1.978 488 A HA -0.141 4.179 4.320 -0.000 0.000 0.220 488 A C 1.434 178.808 177.584 -0.349 0.000 1.170 488 A CA 2.097 53.942 52.037 -0.321 0.000 0.636 488 A CB -0.641 18.038 19.000 -0.536 0.000 0.810 488 A HN 0.760 nan 8.150 nan 0.000 0.448 489 Y N -0.652 119.608 120.300 -0.067 0.000 2.466 489 Y HA 0.501 5.051 4.550 -0.000 0.000 0.272 489 Y C 1.654 177.525 175.900 -0.048 0.000 1.169 489 Y CA -0.414 57.649 58.100 -0.062 0.000 1.285 489 Y CB -0.454 37.963 38.460 -0.072 0.000 1.078 489 Y HN 0.346 nan 8.280 nan 0.000 0.523 490 A N 0.000 122.869 122.820 0.082 0.000 2.254 490 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 490 A CA 0.000 52.063 52.037 0.043 0.000 0.836 490 A CB 0.000 19.024 19.000 0.040 0.000 0.831 490 A HN 0.000 nan 8.150 nan 0.000 0.486