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 2dw4_1_A DATA FIRST_RESID 172 DATA SEQUENCE SGVEGAAFQS RLPHDRMTSQ EAACFPDIIS GPQQTQKVFL FIRNRTLQLW DATA SEQUENCE LDNPKIQLTF EATLQQLEAP YNSDTVLVHR VHSYLERHGL INFGIYKRIK DATA SEQUENCE PLPTKKTGKV IIIGSGVSGL AAARQLQSFG MDVTLLEARD RVGGRVATFR DATA SEQUENCE KGNYVADLGA MVVTGLGGNP MAVVSKQVNM ELAKIKQKCP LYEANGQAVP DATA SEQUENCE KEKDEMVEQE FNRLLEATSY LSHQLDFNVL NNKPVSLGQA LEVVIQLQEK DATA SEQUENCE HVKDEQIEHW KKIVKTQEEL KELLNKMVNL KEKIKELHXX XXXXXXXXXX DATA SEQUENCE XXXTAEFLVK SKHRDLTALC KEYDELAETQ GKLEEKLQEL EANPPSDVYL DATA SEQUENCE SSRDRQILDW HFANLEFANA TPLSTLSLKH WDQDDDFEFT GSHLTVRNGY DATA SEQUENCE SCVPVALAEG LDIKLNTAVR QVRYTASGCE VIAVNTRSTS QTFIYKCDAV DATA SEQUENCE LCTLPLGVLK QQPPAVQFVP PLPEWKTSAV QRMGFGNLNK VVLCFDRVFW DATA SEQUENCE DPSVNLFGHV GSTTASRGEL FLFWNLXXAP ILLALVAGEA AGIMENISDD DATA SEQUENCE VIVGRCLAIL KGIFGSSAVP QPKETVVSRW RADPWARGSY SYVAAGSSGN DATA SEQUENCE DYDLMAQPIT PXXXXXXXXX PIPRLFFAGE HTIRNYPATV HGALLSGLRE DATA SEQUENCE AGRIADQFLG 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 172 S HA 0.000 nan 4.470 nan 0.000 0.327 172 S C 0.000 174.583 174.600 -0.028 0.000 1.055 172 S CA 0.000 58.175 58.200 -0.041 0.000 1.107 172 S CB 0.000 63.148 63.200 -0.086 0.000 0.593 173 G N 2.541 111.337 108.800 -0.006 0.000 2.433 173 G HA2 -0.103 3.857 3.960 -0.001 0.000 0.216 173 G HA3 -0.103 3.857 3.960 -0.001 0.000 0.216 173 G C 1.438 176.330 174.900 -0.012 0.000 1.186 173 G CA 1.537 46.631 45.100 -0.009 0.000 0.779 173 G HN 1.241 nan 8.290 nan 0.000 0.543 174 V N -1.311 118.599 119.914 -0.007 0.000 2.719 174 V HA 0.091 4.211 4.120 -0.001 0.000 0.252 174 V C 2.216 178.318 176.094 0.015 0.000 1.065 174 V CA 2.259 64.538 62.300 -0.036 0.000 1.086 174 V CB -0.241 31.531 31.823 -0.084 0.000 0.700 174 V HN 0.474 nan 8.190 nan 0.000 0.467 175 E N 1.434 121.648 120.200 0.023 0.000 2.107 175 E HA -0.059 4.290 4.350 -0.001 0.000 0.191 175 E C 2.182 178.786 176.600 0.005 0.000 0.982 175 E CA 1.253 57.643 56.400 -0.017 0.000 0.809 175 E CB -0.491 29.104 29.700 -0.175 0.000 0.756 175 E HN 0.665 nan 8.360 nan 0.000 0.459 176 G N 0.648 109.451 108.800 0.005 0.000 2.408 176 G HA2 -0.215 3.744 3.960 -0.001 0.000 0.217 176 G HA3 -0.215 3.744 3.960 -0.001 0.000 0.217 176 G C 1.625 176.592 174.900 0.113 0.000 1.150 176 G CA 0.742 45.873 45.100 0.052 0.000 0.776 176 G HN 0.382 nan 8.290 nan 0.000 0.542 177 A N 1.233 124.089 122.820 0.060 0.000 1.902 177 A HA 0.274 4.593 4.320 -0.001 0.000 0.217 177 A C 2.807 180.438 177.584 0.079 0.000 1.181 177 A CA 2.206 54.276 52.037 0.056 0.000 0.623 177 A CB -0.767 18.240 19.000 0.011 0.000 0.818 177 A HN 0.727 nan 8.150 nan 0.000 0.443 178 A N -1.153 121.723 122.820 0.094 0.000 1.902 178 A HA -0.047 4.273 4.320 -0.001 0.000 0.217 178 A C 2.070 179.731 177.584 0.129 0.000 1.181 178 A CA 1.616 53.719 52.037 0.110 0.000 0.623 178 A CB -0.735 18.362 19.000 0.161 0.000 0.818 178 A HN 0.692 nan 8.150 nan 0.000 0.443 179 F N 0.525 120.502 119.950 0.044 0.000 2.102 179 F HA -0.188 4.339 4.527 -0.001 0.000 0.298 179 F C 2.334 178.159 175.800 0.040 0.000 1.105 179 F CA 2.243 60.272 58.000 0.048 0.000 1.239 179 F CB -0.284 38.725 39.000 0.014 0.000 0.991 179 F HN 0.303 nan 8.300 nan 0.000 0.474 180 Q N 0.242 120.095 119.800 0.089 0.000 2.364 180 Q HA -0.084 4.256 4.340 -0.001 0.000 0.209 180 Q C 1.487 177.431 176.000 -0.094 0.000 0.977 180 Q CA 1.670 57.456 55.803 -0.028 0.000 0.885 180 Q CB -0.441 28.335 28.738 0.064 0.000 0.941 180 Q HN 0.318 nan 8.270 nan 0.000 0.464 181 S N -0.172 115.501 115.700 -0.045 0.000 2.572 181 S HA 0.249 4.719 4.470 -0.001 0.000 0.228 181 S C -0.338 174.231 174.600 -0.051 0.000 0.963 181 S CA -0.108 58.076 58.200 -0.026 0.000 0.939 181 S CB 0.087 63.307 63.200 0.033 0.000 0.804 181 S HN 0.447 nan 8.310 nan 0.000 0.480 182 R N 0.301 120.734 120.500 -0.112 0.000 3.651 182 R HA -0.149 4.191 4.340 -0.001 0.000 0.292 182 R C -0.984 175.339 176.300 0.038 0.000 1.161 182 R CA 0.533 56.606 56.100 -0.045 0.000 0.787 182 R CB -2.158 28.172 30.300 0.050 0.000 1.249 182 R HN 0.355 nan 8.270 nan 0.000 0.476 183 L N 0.540 121.789 121.223 0.043 0.000 2.354 183 L HA 0.607 4.947 4.340 -0.001 0.000 0.269 183 L C -2.006 174.948 176.870 0.140 0.000 1.005 183 L CA -2.461 52.434 54.840 0.091 0.000 0.819 183 L CB 1.836 43.942 42.059 0.079 0.000 1.311 183 L HN -0.220 nan 8.230 nan 0.000 0.423 184 P HA 0.057 nan 4.420 nan 0.000 0.276 184 P C -0.104 177.295 177.300 0.165 0.000 1.235 184 P CA -0.122 63.088 63.100 0.184 0.000 0.772 184 P CB 0.569 32.338 31.700 0.115 0.000 0.871 185 H N 2.765 121.889 119.070 0.089 0.000 2.524 185 H HA -0.052 4.503 4.556 -0.001 0.000 0.282 185 H C 0.314 175.678 175.328 0.060 0.000 1.016 185 H CA 1.055 57.142 56.048 0.066 0.000 1.270 185 H CB -0.373 29.432 29.762 0.071 0.000 1.394 185 H HN 0.357 nan 8.280 nan 0.000 0.568 186 D N 0.244 120.296 120.400 -0.581 0.000 2.501 186 D HA 0.098 4.738 4.640 -0.001 0.000 0.224 186 D C 0.613 176.821 176.300 -0.153 0.000 1.202 186 D CA -0.472 53.268 54.000 -0.433 0.000 0.829 186 D CB 0.468 40.903 40.800 -0.608 0.000 1.023 186 D HN 0.610 nan 8.370 nan 0.000 0.499 187 R N -1.391 119.068 120.500 -0.068 0.000 2.733 187 R HA 0.545 4.885 4.340 -0.001 0.000 0.272 187 R C -1.297 175.024 176.300 0.034 0.000 1.029 187 R CA -0.932 55.162 56.100 -0.010 0.000 0.888 187 R CB 0.752 31.044 30.300 -0.013 0.000 1.251 187 R HN -0.140 nan 8.270 nan 0.000 0.464 188 M N 1.926 121.541 119.600 0.025 0.000 2.233 188 M HA 0.256 4.735 4.480 -0.001 0.000 0.355 188 M C 0.254 176.563 176.300 0.014 0.000 1.191 188 M CA -0.680 54.635 55.300 0.025 0.000 1.101 188 M CB 1.973 34.520 32.600 -0.088 0.000 1.592 188 M HN 0.836 nan 8.290 nan 0.000 0.461 189 T N -1.247 113.329 114.554 0.036 0.000 2.828 189 T HA 0.118 4.467 4.350 -0.001 0.000 0.290 189 T C 1.132 175.846 174.700 0.022 0.000 1.019 189 T CA -0.502 61.625 62.100 0.045 0.000 1.031 189 T CB 1.259 70.174 68.868 0.077 0.000 1.001 189 T HN 0.703 nan 8.240 nan 0.000 0.531 190 S N -0.162 115.557 115.700 0.032 0.000 2.370 190 S HA -0.202 4.268 4.470 -0.001 0.000 0.226 190 S C 2.063 176.683 174.600 0.034 0.000 1.033 190 S CA 1.706 59.920 58.200 0.023 0.000 1.011 190 S CB -0.678 62.539 63.200 0.028 0.000 0.852 190 S HN 0.811 nan 8.310 nan 0.000 0.457 191 Q N -0.037 119.804 119.800 0.068 0.000 2.124 191 Q HA -0.150 4.190 4.340 -0.001 0.000 0.202 191 Q C 2.016 178.071 176.000 0.092 0.000 0.977 191 Q CA 1.665 57.536 55.803 0.113 0.000 0.850 191 Q CB -0.078 28.764 28.738 0.173 0.000 0.901 191 Q HN 0.691 nan 8.270 nan 0.000 0.429 192 E N -0.176 120.032 120.200 0.014 0.000 2.072 192 E HA -0.155 4.194 4.350 -0.001 0.000 0.191 192 E C 1.915 178.463 176.600 -0.086 0.000 0.985 192 E CA 0.797 57.111 56.400 -0.143 0.000 0.801 192 E CB -0.124 29.447 29.700 -0.216 0.000 0.750 192 E HN 0.382 nan 8.360 nan 0.000 0.452 193 A N 1.681 124.450 122.820 -0.085 0.000 1.917 193 A HA -0.221 4.098 4.320 -0.001 0.000 0.219 193 A C 2.400 179.963 177.584 -0.035 0.000 1.182 193 A CA 1.933 53.923 52.037 -0.078 0.000 0.633 193 A CB -0.748 18.219 19.000 -0.056 0.000 0.819 193 A HN 0.307 nan 8.150 nan 0.000 0.448 194 A N -1.096 121.720 122.820 -0.006 0.000 1.877 194 A HA -0.168 4.152 4.320 -0.001 0.000 0.216 194 A C 2.279 179.851 177.584 -0.020 0.000 1.186 194 A CA 1.719 53.756 52.037 -0.000 0.000 0.620 194 A CB -1.229 17.789 19.000 0.031 0.000 0.822 194 A HN 0.641 nan 8.150 nan 0.000 0.443 195 C N -2.184 117.114 119.300 -0.003 0.000 2.448 195 C HA 0.149 4.608 4.460 -0.001 0.000 0.280 195 C C 0.613 175.346 174.990 -0.428 0.000 1.398 195 C CA 0.049 58.983 59.018 -0.139 0.000 1.774 195 C CB -1.423 26.283 27.740 -0.056 0.000 1.888 195 C HN 0.484 nan 8.230 nan 0.000 0.519 196 F N 0.994 120.804 119.950 -0.233 0.000 2.597 196 F HA 0.288 4.815 4.527 -0.001 0.000 0.336 196 F C -1.281 174.387 175.800 -0.220 0.000 1.432 196 F CA -2.363 55.483 58.000 -0.255 0.000 1.120 196 F CB -0.088 38.639 39.000 -0.456 0.000 1.253 196 F HN 0.050 nan 8.300 nan 0.000 0.546 197 P HA -0.189 nan 4.420 nan 0.000 0.221 197 P C 0.916 178.192 177.300 -0.040 0.000 1.145 197 P CA 1.533 64.605 63.100 -0.047 0.000 0.795 197 P CB 0.231 31.901 31.700 -0.050 0.000 0.775 198 D N -0.815 119.567 120.400 -0.029 0.000 2.289 198 D HA -0.069 4.570 4.640 -0.001 0.000 0.207 198 D C 1.790 178.082 176.300 -0.014 0.000 0.966 198 D CA 0.441 54.431 54.000 -0.016 0.000 0.868 198 D CB -0.387 40.410 40.800 -0.005 0.000 0.943 198 D HN 0.110 nan 8.370 nan 0.000 0.514 199 I N 0.912 121.464 120.570 -0.029 0.000 2.339 199 I HA -0.102 4.068 4.170 -0.001 0.000 0.245 199 I C 2.606 178.660 176.117 -0.105 0.000 1.096 199 I CA 0.171 61.424 61.300 -0.079 0.000 1.408 199 I CB -0.653 37.208 38.000 -0.233 0.000 1.092 199 I HN -0.007 nan 8.210 nan 0.000 0.423 200 I N 1.333 121.828 120.570 -0.125 0.000 2.179 200 I HA -0.210 3.959 4.170 -0.001 0.000 0.242 200 I C 1.756 177.838 176.117 -0.058 0.000 1.088 200 I CA 1.546 62.784 61.300 -0.103 0.000 1.357 200 I CB -0.598 37.344 38.000 -0.097 0.000 1.051 200 I HN 0.249 nan 8.210 nan 0.000 0.409 201 S N 0.223 115.896 115.700 -0.045 0.000 3.149 201 S HA 0.520 4.989 4.470 -0.001 0.000 0.228 201 S C 0.270 174.858 174.600 -0.021 0.000 1.393 201 S CA -0.165 58.017 58.200 -0.029 0.000 1.224 201 S CB -0.433 62.751 63.200 -0.026 0.000 1.112 201 S HN 0.408 nan 8.310 nan 0.000 0.502 202 G N 0.895 109.683 108.800 -0.020 0.000 2.749 202 G HA2 0.629 4.589 3.960 -0.001 0.000 0.300 202 G HA3 0.629 4.589 3.960 -0.001 0.000 0.300 202 G C -3.373 171.525 174.900 -0.004 0.000 1.352 202 G CA -1.632 43.463 45.100 -0.009 0.000 0.789 202 G HN 0.196 nan 8.290 nan 0.000 0.509 203 P HA 0.071 nan 4.420 nan 0.000 0.256 203 P C 0.742 178.050 177.300 0.013 0.000 1.173 203 P CA 0.206 63.312 63.100 0.010 0.000 0.768 203 P CB 0.914 32.624 31.700 0.016 0.000 0.758 204 Q N 3.564 123.369 119.800 0.010 0.000 2.248 204 Q HA -0.320 4.020 4.340 -0.001 0.000 0.208 204 Q C 1.734 177.751 176.000 0.029 0.000 0.984 204 Q CA 1.654 57.465 55.803 0.013 0.000 0.875 204 Q CB -0.543 28.200 28.738 0.009 0.000 0.910 204 Q HN 0.252 nan 8.270 nan 0.000 0.433 205 Q N 0.472 120.290 119.800 0.030 0.000 2.170 205 Q HA -0.086 4.253 4.340 -0.001 0.000 0.203 205 Q C 1.620 177.660 176.000 0.066 0.000 0.976 205 Q CA 2.288 58.115 55.803 0.041 0.000 0.858 205 Q CB -0.595 28.160 28.738 0.029 0.000 0.907 205 Q HN 0.561 nan 8.270 nan 0.000 0.433 206 T N 0.209 114.802 114.554 0.064 0.000 2.896 206 T HA -0.078 4.271 4.350 -0.001 0.000 0.263 206 T C 1.548 176.322 174.700 0.124 0.000 1.050 206 T CA 1.139 63.294 62.100 0.092 0.000 1.140 206 T CB -0.054 68.856 68.868 0.070 0.000 0.877 206 T HN 0.401 nan 8.240 nan 0.000 0.457 207 Q N 0.711 120.561 119.800 0.083 0.000 2.096 207 Q HA -0.128 4.211 4.340 -0.001 0.000 0.204 207 Q C 2.312 178.413 176.000 0.168 0.000 0.982 207 Q CA 1.366 57.227 55.803 0.096 0.000 0.850 207 Q CB -0.151 28.602 28.738 0.026 0.000 0.901 207 Q HN 0.240 nan 8.270 nan 0.000 0.422 208 K N 0.237 120.711 120.400 0.123 0.000 2.147 208 K HA -0.116 4.203 4.320 -0.001 0.000 0.205 208 K C 1.690 178.396 176.600 0.177 0.000 1.049 208 K CA 0.926 57.288 56.287 0.124 0.000 0.936 208 K CB -0.062 32.491 32.500 0.089 0.000 0.722 208 K HN 0.017 nan 8.250 nan 0.000 0.446 209 V N 0.588 120.629 119.914 0.212 0.000 2.488 209 V HA -0.126 3.993 4.120 -0.001 0.000 0.246 209 V C 1.910 178.138 176.094 0.223 0.000 1.046 209 V CA 1.583 64.059 62.300 0.294 0.000 1.053 209 V CB -0.601 31.401 31.823 0.298 0.000 0.679 209 V HN 0.345 nan 8.190 nan 0.000 0.458 210 F N 0.781 120.762 119.950 0.052 0.000 2.102 210 F HA -0.170 4.356 4.527 -0.001 0.000 0.298 210 F C 2.017 177.768 175.800 -0.081 0.000 1.105 210 F CA 1.781 59.749 58.000 -0.054 0.000 1.239 210 F CB -0.296 38.615 39.000 -0.148 0.000 0.991 210 F HN 0.027 nan 8.300 nan 0.000 0.474 211 L N -0.884 120.301 121.223 -0.064 0.000 2.083 211 L HA -0.203 4.136 4.340 -0.001 0.000 0.209 211 L C 2.446 179.214 176.870 -0.171 0.000 1.083 211 L CA 1.497 56.243 54.840 -0.156 0.000 0.752 211 L CB -0.910 41.179 42.059 0.050 0.000 0.899 211 L HN 0.270 nan 8.230 nan 0.000 0.433 212 F N 0.734 120.560 119.950 -0.206 0.000 2.146 212 F HA -0.158 4.369 4.527 -0.001 0.000 0.298 212 F C 2.262 177.862 175.800 -0.333 0.000 1.096 212 F CA 1.317 59.160 58.000 -0.262 0.000 1.275 212 F CB -0.097 38.689 39.000 -0.356 0.000 1.008 212 F HN -0.126 nan 8.300 nan 0.000 0.480 213 I N 0.173 120.548 120.570 -0.324 0.000 2.226 213 I HA -0.279 3.890 4.170 -0.001 0.000 0.245 213 I C 2.752 178.630 176.117 -0.398 0.000 1.100 213 I CA 1.245 62.340 61.300 -0.343 0.000 1.374 213 I CB -0.590 37.333 38.000 -0.128 0.000 1.057 213 I HN 0.105 nan 8.210 nan 0.000 0.413 214 R N 1.477 121.670 120.500 -0.511 0.000 2.080 214 R HA -0.196 4.143 4.340 -0.001 0.000 0.236 214 R C 1.923 178.037 176.300 -0.311 0.000 1.137 214 R CA 2.007 57.827 56.100 -0.466 0.000 0.943 214 R CB -0.503 29.368 30.300 -0.714 0.000 0.846 214 R HN 0.366 nan 8.270 nan 0.000 0.431 215 N N 0.746 119.251 118.700 -0.325 0.000 2.166 215 N HA -0.173 4.566 4.740 -0.001 0.000 0.186 215 N C 1.886 177.218 175.510 -0.297 0.000 1.019 215 N CA 1.170 54.076 53.050 -0.240 0.000 0.856 215 N CB -0.403 37.975 38.487 -0.181 0.000 0.993 215 N HN 0.171 nan 8.380 nan 0.000 0.426 216 R N 0.647 120.839 120.500 -0.514 0.000 2.090 216 R HA 0.073 4.412 4.340 -0.001 0.000 0.228 216 R C 1.908 178.073 176.300 -0.225 0.000 1.110 216 R CA 1.450 57.266 56.100 -0.473 0.000 0.973 216 R CB -0.802 29.024 30.300 -0.789 0.000 0.869 216 R HN 0.119 nan 8.270 nan 0.000 0.440 217 T N 1.002 115.448 114.554 -0.180 0.000 2.746 217 T HA -0.081 4.268 4.350 -0.001 0.000 0.267 217 T C 1.691 176.401 174.700 0.017 0.000 1.039 217 T CA 1.459 63.533 62.100 -0.043 0.000 1.142 217 T CB -0.173 68.683 68.868 -0.019 0.000 0.866 217 T HN 0.139 nan 8.240 nan 0.000 0.444 218 L N 0.761 121.978 121.223 -0.011 0.000 2.083 218 L HA -0.138 4.202 4.340 -0.001 0.000 0.209 218 L C 2.929 179.857 176.870 0.097 0.000 1.083 218 L CA 1.347 56.237 54.840 0.082 0.000 0.752 218 L CB -0.539 41.545 42.059 0.043 0.000 0.899 218 L HN 0.324 nan 8.230 nan 0.000 0.433 219 Q N 0.437 120.236 119.800 -0.001 0.000 2.050 219 Q HA -0.208 4.132 4.340 -0.001 0.000 0.202 219 Q C 2.395 178.386 176.000 -0.015 0.000 0.980 219 Q CA 1.469 57.259 55.803 -0.023 0.000 0.840 219 Q CB -0.042 28.655 28.738 -0.069 0.000 0.898 219 Q HN 0.500 nan 8.270 nan 0.000 0.424 220 L N -0.054 121.172 121.223 0.004 0.000 2.042 220 L HA -0.216 4.124 4.340 -0.001 0.000 0.210 220 L C 2.432 179.329 176.870 0.044 0.000 1.076 220 L CA 1.459 56.310 54.840 0.018 0.000 0.749 220 L CB -0.783 41.300 42.059 0.040 0.000 0.893 220 L HN 0.566 nan 8.230 nan 0.000 0.432 221 W N 1.131 122.388 121.300 -0.072 0.000 2.378 221 W HA -0.193 4.466 4.660 -0.001 0.000 0.313 221 W C 2.060 178.517 176.519 -0.103 0.000 1.197 221 W CA 1.213 58.499 57.345 -0.098 0.000 1.304 221 W CB -0.253 29.145 29.460 -0.104 0.000 1.148 221 W HN 0.080 nan 8.180 nan 0.000 0.494 222 L N 0.983 122.034 121.223 -0.288 0.000 2.191 222 L HA -0.226 4.114 4.340 -0.001 0.000 0.212 222 L C 1.907 178.580 176.870 -0.328 0.000 1.103 222 L CA 1.426 56.036 54.840 -0.384 0.000 0.769 222 L CB -0.831 41.160 42.059 -0.113 0.000 0.908 222 L HN -0.131 nan 8.230 nan 0.000 0.438 223 D N -0.570 119.693 120.400 -0.229 0.000 2.277 223 D HA -0.075 4.565 4.640 -0.001 0.000 0.208 223 D C 0.667 176.835 176.300 -0.220 0.000 0.962 223 D CA 0.873 54.766 54.000 -0.178 0.000 0.865 223 D CB -0.030 40.705 40.800 -0.108 0.000 0.939 223 D HN 0.147 nan 8.370 nan 0.000 0.510 224 N N -0.443 118.072 118.700 -0.310 0.000 2.732 224 N HA 0.095 4.834 4.740 -0.001 0.000 0.235 224 N C -2.448 172.767 175.510 -0.493 0.000 1.466 224 N CA -1.100 51.770 53.050 -0.299 0.000 0.751 224 N CB 1.141 39.530 38.487 -0.163 0.000 1.317 224 N HN -0.196 nan 8.380 nan 0.000 0.525 225 P HA 0.012 nan 4.420 nan 0.000 0.242 225 P C 0.191 177.171 177.300 -0.533 0.000 1.197 225 P CA 0.547 62.910 63.100 -1.228 0.000 0.765 225 P CB 0.275 31.214 31.700 -1.268 0.000 0.936 226 K N -0.918 119.330 120.400 -0.254 0.000 2.444 226 K HA 0.157 4.476 4.320 -0.001 0.000 0.193 226 K C 0.782 177.431 176.600 0.082 0.000 1.024 226 K CA 0.113 56.371 56.287 -0.047 0.000 1.077 226 K CB 0.358 32.824 32.500 -0.057 0.000 0.833 226 K HN 0.179 nan 8.250 nan 0.000 0.517 227 I N 1.188 121.796 120.570 0.064 0.000 2.647 227 I HA 0.091 4.261 4.170 -0.001 0.000 0.295 227 I C -0.854 175.384 176.117 0.202 0.000 1.078 227 I CA -0.893 60.501 61.300 0.156 0.000 1.048 227 I CB 2.140 40.182 38.000 0.070 0.000 1.239 227 I HN 0.063 nan 8.210 nan 0.000 0.421 228 Q N 5.076 125.032 119.800 0.260 0.000 2.300 228 Q HA 0.083 4.422 4.340 -0.001 0.000 0.280 228 Q C -1.269 174.808 176.000 0.128 0.000 1.033 228 Q CA -0.155 55.716 55.803 0.113 0.000 0.903 228 Q CB 0.794 29.680 28.738 0.246 0.000 1.195 228 Q HN 0.503 nan 8.270 nan 0.000 0.386 229 L N 5.493 126.788 121.223 0.120 0.000 2.270 229 L HA 0.313 4.653 4.340 -0.001 0.000 0.286 229 L C -0.382 176.652 176.870 0.273 0.000 1.059 229 L CA 0.013 54.968 54.840 0.193 0.000 0.839 229 L CB 0.893 43.105 42.059 0.255 0.000 1.221 229 L HN 0.748 nan 8.230 nan 0.000 0.431 230 T N 0.881 115.541 114.554 0.177 0.000 2.849 230 T HA 0.167 4.517 4.350 -0.001 0.000 0.284 230 T C 1.000 175.607 174.700 -0.154 0.000 1.004 230 T CA -0.237 61.931 62.100 0.112 0.000 1.021 230 T CB 0.534 69.438 68.868 0.059 0.000 1.013 230 T HN 0.461 nan 8.240 nan 0.000 0.527 231 F N 0.879 120.436 119.950 -0.655 0.000 2.102 231 F HA -0.036 4.491 4.527 -0.001 0.000 0.298 231 F C 2.365 178.011 175.800 -0.256 0.000 1.105 231 F CA 1.961 59.495 58.000 -0.778 0.000 1.239 231 F CB -0.734 37.981 39.000 -0.475 0.000 0.991 231 F HN 0.930 nan 8.300 nan 0.000 0.474 232 E N 0.344 120.268 120.200 -0.459 0.000 2.049 232 E HA -0.267 4.082 4.350 -0.001 0.000 0.198 232 E C 2.248 178.678 176.600 -0.284 0.000 1.007 232 E CA 1.532 57.663 56.400 -0.449 0.000 0.809 232 E CB -0.509 29.074 29.700 -0.195 0.000 0.749 232 E HN 0.461 nan 8.360 nan 0.000 0.450 233 A N 0.077 122.807 122.820 -0.150 0.000 1.969 233 A HA -0.132 4.188 4.320 -0.001 0.000 0.218 233 A C 2.351 179.899 177.584 -0.060 0.000 1.169 233 A CA 1.858 53.851 52.037 -0.073 0.000 0.635 233 A CB -0.762 18.231 19.000 -0.011 0.000 0.810 233 A HN 0.372 nan 8.150 nan 0.000 0.445 234 T N 0.057 114.573 114.554 -0.065 0.000 2.737 234 T HA -0.123 4.227 4.350 -0.001 0.000 0.265 234 T C 1.826 176.505 174.700 -0.035 0.000 1.038 234 T CA 1.502 63.603 62.100 0.002 0.000 1.144 234 T CB -0.340 68.588 68.868 0.100 0.000 0.866 234 T HN 0.314 nan 8.240 nan 0.000 0.434 235 L N 1.231 122.367 121.223 -0.146 0.000 2.046 235 L HA -0.062 4.278 4.340 -0.001 0.000 0.208 235 L C 2.372 179.197 176.870 -0.074 0.000 1.077 235 L CA 1.750 56.510 54.840 -0.134 0.000 0.747 235 L CB -0.635 41.211 42.059 -0.356 0.000 0.896 235 L HN 0.249 nan 8.230 nan 0.000 0.432 236 Q N -1.250 118.495 119.800 -0.092 0.000 2.369 236 Q HA -0.170 4.170 4.340 -0.001 0.000 0.206 236 Q C 1.877 177.871 176.000 -0.010 0.000 0.963 236 Q CA 1.213 56.988 55.803 -0.047 0.000 0.894 236 Q CB 0.021 28.726 28.738 -0.055 0.000 0.965 236 Q HN 0.667 nan 8.270 nan 0.000 0.475 237 Q N -0.432 119.367 119.800 -0.003 0.000 2.384 237 Q HA 0.175 4.514 4.340 -0.001 0.000 0.207 237 Q C 0.046 176.072 176.000 0.043 0.000 0.904 237 Q CA -0.164 55.649 55.803 0.017 0.000 0.933 237 Q CB 0.671 29.414 28.738 0.009 0.000 1.077 237 Q HN 0.271 nan 8.270 nan 0.000 0.522 238 L N 2.567 123.825 121.223 0.059 0.000 2.417 238 L HA 0.068 4.407 4.340 -0.001 0.000 0.268 238 L C 0.555 177.523 176.870 0.163 0.000 1.158 238 L CA -0.399 54.514 54.840 0.122 0.000 0.819 238 L CB 0.528 42.677 42.059 0.150 0.000 1.112 238 L HN 0.182 nan 8.230 nan 0.000 0.458 239 E N 2.446 122.799 120.200 0.254 0.000 2.250 239 E HA 0.475 4.824 4.350 -0.001 0.000 0.265 239 E C -0.587 176.154 176.600 0.235 0.000 1.033 239 E CA -0.940 55.592 56.400 0.220 0.000 0.888 239 E CB 1.142 30.971 29.700 0.215 0.000 1.151 239 E HN 0.512 nan 8.360 nan 0.000 0.412 240 A N 2.285 125.165 122.820 0.101 0.000 2.498 240 A HA 0.228 4.548 4.320 -0.001 0.000 0.239 240 A C -1.249 176.259 177.584 -0.126 0.000 1.068 240 A CA -0.689 51.349 52.037 0.002 0.000 0.766 240 A CB -0.296 18.695 19.000 -0.015 0.000 1.003 240 A HN 0.661 nan 8.150 nan 0.000 0.497 241 P HA -0.044 nan 4.420 nan 0.000 0.245 241 P C 0.580 177.771 177.300 -0.180 0.000 1.203 241 P CA 0.749 63.696 63.100 -0.256 0.000 0.792 241 P CB -0.021 31.497 31.700 -0.303 0.000 0.997 242 Y N 3.075 123.416 120.300 0.069 0.000 2.132 242 Y HA -0.262 4.287 4.550 -0.001 0.000 0.280 242 Y C 2.178 178.141 175.900 0.104 0.000 1.193 242 Y CA 2.077 60.247 58.100 0.116 0.000 1.157 242 Y CB -2.306 36.278 38.460 0.206 0.000 0.966 242 Y HN 0.248 nan 8.280 nan 0.000 0.511 243 N N -1.143 117.687 118.700 0.217 0.000 2.609 243 N HA -0.094 4.646 4.740 -0.001 0.000 0.190 243 N C 1.202 176.768 175.510 0.093 0.000 1.157 243 N CA 0.852 53.984 53.050 0.137 0.000 0.918 243 N CB -0.207 38.337 38.487 0.095 0.000 0.978 243 N HN 0.119 nan 8.380 nan 0.000 0.448 244 S N -0.177 115.572 115.700 0.082 0.000 2.492 244 S HA -0.023 4.446 4.470 -0.001 0.000 0.218 244 S C 0.282 174.934 174.600 0.086 0.000 1.016 244 S CA -0.063 58.173 58.200 0.060 0.000 0.916 244 S CB 0.195 63.409 63.200 0.024 0.000 0.791 244 S HN 0.286 nan 8.310 nan 0.000 0.513 245 D N 2.211 122.684 120.400 0.121 0.000 2.741 245 D HA 0.221 4.860 4.640 -0.001 0.000 0.233 245 D C 0.837 177.253 176.300 0.193 0.000 1.160 245 D CA 0.046 54.132 54.000 0.144 0.000 1.003 245 D CB 0.105 40.999 40.800 0.158 0.000 1.064 245 D HN 0.088 nan 8.370 nan 0.000 0.503 246 T N -0.351 114.317 114.554 0.190 0.000 2.653 246 T HA -0.169 4.181 4.350 -0.001 0.000 0.268 246 T C 2.109 177.005 174.700 0.326 0.000 1.035 246 T CA 1.092 63.361 62.100 0.282 0.000 1.154 246 T CB 0.022 69.027 68.868 0.228 0.000 0.862 246 T HN 0.208 nan 8.240 nan 0.000 0.441 247 V N 1.308 121.344 119.914 0.204 0.000 2.343 247 V HA -0.090 4.030 4.120 -0.001 0.000 0.247 247 V C 2.422 178.631 176.094 0.193 0.000 1.051 247 V CA 1.303 63.694 62.300 0.152 0.000 1.036 247 V CB -0.635 31.244 31.823 0.095 0.000 0.654 247 V HN 0.427 nan 8.190 nan 0.000 0.451 248 L N -0.296 121.055 121.223 0.212 0.000 2.056 248 L HA -0.120 4.219 4.340 -0.001 0.000 0.207 248 L C 2.444 179.472 176.870 0.263 0.000 1.078 248 L CA 1.479 56.468 54.840 0.248 0.000 0.749 248 L CB -0.116 42.085 42.059 0.236 0.000 0.901 248 L HN 0.212 nan 8.230 nan 0.000 0.433 249 V N -0.516 119.565 119.914 0.279 0.000 2.295 249 V HA -0.348 3.772 4.120 -0.001 0.000 0.246 249 V C 2.558 178.821 176.094 0.282 0.000 1.049 249 V CA 2.052 64.537 62.300 0.308 0.000 1.024 249 V CB -0.996 31.065 31.823 0.396 0.000 0.648 249 V HN 0.585 nan 8.190 nan 0.000 0.447 250 H N 0.914 120.015 119.070 0.052 0.000 2.352 250 H HA -0.151 4.404 4.556 -0.001 0.000 0.299 250 H C 2.565 177.822 175.328 -0.119 0.000 1.097 250 H CA 2.134 57.879 56.048 -0.506 0.000 1.311 250 H CB 0.096 29.341 29.762 -0.861 0.000 1.377 250 H HN 0.354 nan 8.280 nan 0.000 0.504 251 R N -0.254 120.339 120.500 0.155 0.000 2.092 251 R HA -0.067 4.272 4.340 -0.001 0.000 0.231 251 R C 2.637 179.166 176.300 0.382 0.000 1.119 251 R CA 1.170 57.413 56.100 0.239 0.000 0.970 251 R CB 0.001 30.495 30.300 0.322 0.000 0.864 251 R HN 0.144 nan 8.270 nan 0.000 0.440 252 V N 0.321 120.438 119.914 0.337 0.000 2.379 252 V HA -0.237 3.883 4.120 -0.001 0.000 0.245 252 V C 2.384 178.600 176.094 0.203 0.000 1.044 252 V CA 1.712 64.166 62.300 0.257 0.000 1.036 252 V CB -0.693 31.137 31.823 0.011 0.000 0.664 252 V HN 0.435 nan 8.190 nan 0.000 0.453 253 H N 0.385 119.475 119.070 0.034 0.000 2.353 253 H HA -0.121 4.435 4.556 -0.001 0.000 0.300 253 H C 2.409 177.696 175.328 -0.068 0.000 1.090 253 H CA 1.997 58.036 56.048 -0.016 0.000 1.327 253 H CB 0.062 29.834 29.762 0.016 0.000 1.383 253 H HN 0.407 nan 8.280 nan 0.000 0.508 254 S N 0.025 115.704 115.700 -0.035 0.000 2.368 254 S HA -0.177 4.292 4.470 -0.001 0.000 0.225 254 S C 1.951 176.558 174.600 0.012 0.000 1.030 254 S CA 1.309 59.456 58.200 -0.087 0.000 0.999 254 S CB -0.612 62.487 63.200 -0.168 0.000 0.844 254 S HN 0.588 nan 8.310 nan 0.000 0.459 255 Y N 2.276 122.598 120.300 0.036 0.000 2.133 255 Y HA -0.076 4.474 4.550 -0.001 0.000 0.287 255 Y C 1.918 177.846 175.900 0.046 0.000 1.134 255 Y CA 1.360 59.524 58.100 0.107 0.000 1.133 255 Y CB -0.442 38.186 38.460 0.280 0.000 0.987 255 Y HN 0.106 nan 8.280 nan 0.000 0.502 256 L N 0.312 121.509 121.223 -0.044 0.000 2.079 256 L HA -0.236 4.103 4.340 -0.001 0.000 0.210 256 L C 2.564 179.288 176.870 -0.242 0.000 1.081 256 L CA 1.986 56.712 54.840 -0.191 0.000 0.752 256 L CB -0.605 41.373 42.059 -0.135 0.000 0.896 256 L HN 0.382 nan 8.230 nan 0.000 0.433 257 E N 0.236 120.281 120.200 -0.258 0.000 2.046 257 E HA -0.257 4.092 4.350 -0.001 0.000 0.190 257 E C 2.292 178.875 176.600 -0.028 0.000 0.982 257 E CA 0.755 57.030 56.400 -0.208 0.000 0.800 257 E CB 0.102 29.650 29.700 -0.253 0.000 0.756 257 E HN 0.126 nan 8.360 nan 0.000 0.449 258 R N 0.443 120.885 120.500 -0.097 0.000 2.127 258 R HA -0.128 4.211 4.340 -0.001 0.000 0.238 258 R C 1.436 177.667 176.300 -0.116 0.000 1.134 258 R CA 1.818 57.800 56.100 -0.198 0.000 0.975 258 R CB -0.477 29.686 30.300 -0.229 0.000 0.865 258 R HN 0.417 nan 8.270 nan 0.000 0.447 259 H N -1.689 117.240 119.070 -0.235 0.000 2.529 259 H HA 0.235 4.790 4.556 -0.001 0.000 0.277 259 H C 0.535 175.759 175.328 -0.175 0.000 1.004 259 H CA 0.334 56.247 56.048 -0.226 0.000 1.167 259 H CB 0.530 30.041 29.762 -0.420 0.000 1.445 259 H HN 0.461 nan 8.280 nan 0.000 0.554 260 G N 1.652 110.433 108.800 -0.032 0.000 2.176 260 G HA2 -0.276 3.684 3.960 -0.001 0.000 0.252 260 G HA3 -0.276 3.684 3.960 -0.001 0.000 0.252 260 G C 0.913 175.701 174.900 -0.188 0.000 1.024 260 G CA 0.328 45.372 45.100 -0.092 0.000 0.755 260 G HN 0.400 nan 8.290 nan 0.000 0.507 261 L N -0.515 120.613 121.223 -0.159 0.000 2.375 261 L HA 0.391 4.730 4.340 -0.001 0.000 0.215 261 L C 1.679 178.484 176.870 -0.108 0.000 1.108 261 L CA 1.023 55.795 54.840 -0.113 0.000 0.830 261 L CB -0.107 41.892 42.059 -0.099 0.000 0.959 261 L HN 0.644 nan 8.230 nan 0.000 0.457 262 I N -5.651 114.664 120.570 -0.425 0.000 3.042 262 I HA 0.435 4.604 4.170 -0.001 0.000 0.310 262 I C -0.735 174.590 176.117 -1.320 0.000 1.117 262 I CA -0.999 59.517 61.300 -1.307 0.000 1.003 262 I CB 1.796 39.267 38.000 -0.881 0.000 1.228 262 I HN -0.112 nan 8.210 nan 0.000 0.443 263 N N 2.352 119.583 118.700 -2.450 0.000 2.688 263 N HA -0.225 4.514 4.740 -0.001 0.000 0.258 263 N C -1.052 174.078 175.510 -0.634 0.000 1.016 263 N CA 1.524 53.599 53.050 -1.626 0.000 0.747 263 N CB -1.375 36.612 38.487 -0.833 0.000 0.895 263 N HN 0.717 nan 8.380 nan 0.000 0.543 264 F N -2.986 116.710 119.950 -0.423 0.000 2.631 264 F HA 0.869 5.395 4.527 -0.001 0.000 0.328 264 F C 1.147 177.153 175.800 0.343 0.000 1.067 264 F CA 0.004 58.028 58.000 0.041 0.000 0.969 264 F CB 0.944 39.916 39.000 -0.047 0.000 1.332 264 F HN 0.226 nan 8.300 nan 0.000 0.490 265 G N 1.297 110.353 108.800 0.426 0.000 2.509 265 G HA2 -0.164 3.795 3.960 -0.001 0.000 0.259 265 G HA3 -0.164 3.795 3.960 -0.001 0.000 0.259 265 G C -1.330 173.670 174.900 0.167 0.000 1.169 265 G CA -0.016 45.246 45.100 0.271 0.000 0.953 265 G HN 0.903 nan 8.290 nan 0.000 0.563 266 I N 1.624 122.267 120.570 0.122 0.000 2.389 266 I HA 0.744 4.914 4.170 -0.001 0.000 0.288 266 I C -0.155 175.995 176.117 0.054 0.000 0.999 266 I CA -0.694 60.590 61.300 -0.026 0.000 1.129 266 I CB 1.351 39.336 38.000 -0.025 0.000 1.288 266 I HN 0.836 nan 8.210 nan 0.000 0.444 267 Y N 2.522 122.840 120.300 0.029 0.000 2.624 267 Y HA 0.616 5.166 4.550 -0.001 0.000 0.334 267 Y C -1.107 174.814 175.900 0.035 0.000 1.155 267 Y CA -1.663 56.460 58.100 0.039 0.000 1.046 267 Y CB 0.985 39.520 38.460 0.124 0.000 1.316 267 Y HN 0.284 nan 8.280 nan 0.000 0.457 268 K N 2.964 123.455 120.400 0.152 0.000 2.368 268 K HA 0.323 4.643 4.320 -0.001 0.000 0.282 268 K C -0.425 176.298 176.600 0.203 0.000 1.035 268 K CA -0.465 55.876 56.287 0.091 0.000 0.973 268 K CB 0.791 33.337 32.500 0.076 0.000 0.957 268 K HN 0.658 nan 8.250 nan 0.000 0.474 269 R N 2.265 122.829 120.500 0.107 0.000 2.531 269 R HA 0.249 4.588 4.340 -0.001 0.000 0.273 269 R C 0.970 177.345 176.300 0.124 0.000 1.070 269 R CA -0.218 55.981 56.100 0.165 0.000 1.112 269 R CB 0.401 30.754 30.300 0.089 0.000 1.049 269 R HN 0.719 nan 8.270 nan 0.000 0.508 270 I N -1.872 118.776 120.570 0.130 0.000 3.376 270 I HA 0.330 4.499 4.170 -0.001 0.000 0.326 270 I C 0.104 176.270 176.117 0.082 0.000 1.538 270 I CA -0.259 61.096 61.300 0.091 0.000 0.989 270 I CB 0.441 38.493 38.000 0.086 0.000 1.413 270 I HN 0.580 nan 8.210 nan 0.000 0.547 271 K N 1.654 122.105 120.400 0.086 0.000 2.848 271 K HA 0.436 4.756 4.320 -0.001 0.000 0.263 271 K C -1.389 175.252 176.600 0.068 0.000 2.232 271 K CA 0.521 56.855 56.287 0.078 0.000 1.223 271 K CB -0.110 32.447 32.500 0.095 0.000 2.521 271 K HN 0.283 nan 8.250 nan 0.000 0.364 272 P HA 0.377 nan 4.420 nan 0.000 0.172 272 P C -0.647 176.684 177.300 0.051 0.000 1.002 272 P CA 0.059 63.195 63.100 0.061 0.000 0.826 272 P CB 1.342 33.081 31.700 0.066 0.000 0.751 273 L N -0.613 120.643 121.223 0.055 0.000 2.991 273 L HA -0.043 4.297 4.340 -0.001 0.000 0.650 273 L C -2.358 174.533 176.870 0.034 0.000 1.327 273 L CA -0.693 54.172 54.840 0.041 0.000 1.153 273 L CB -1.708 40.365 42.059 0.023 0.000 1.914 273 L HN 0.185 nan 8.230 nan 0.000 0.856 274 P HA -0.095 nan 4.420 nan 0.000 0.259 274 P C 1.021 178.335 177.300 0.024 0.000 1.155 274 P CA 1.011 64.131 63.100 0.034 0.000 0.759 274 P CB 0.797 32.521 31.700 0.041 0.000 0.753 275 T N 2.156 116.721 114.554 0.020 0.000 2.849 275 T HA -0.111 4.238 4.350 -0.001 0.000 0.270 275 T C 0.808 175.516 174.700 0.013 0.000 1.066 275 T CA 0.883 62.992 62.100 0.013 0.000 1.130 275 T CB -0.387 68.488 68.868 0.012 0.000 0.864 275 T HN 0.321 nan 8.240 nan 0.000 0.481 276 K N 2.139 122.549 120.400 0.017 0.000 2.205 276 K HA 0.379 4.698 4.320 -0.001 0.000 0.279 276 K C -0.847 175.764 176.600 0.018 0.000 1.027 276 K CA -0.381 55.916 56.287 0.017 0.000 0.932 276 K CB 1.306 33.818 32.500 0.019 0.000 1.032 276 K HN 0.225 nan 8.250 nan 0.000 0.466 277 K N 1.611 122.020 120.400 0.014 0.000 2.292 277 K HA 0.298 4.618 4.320 -0.001 0.000 0.257 277 K C -0.888 175.720 176.600 0.013 0.000 0.940 277 K CA -0.650 55.645 56.287 0.012 0.000 0.811 277 K CB 2.022 34.522 32.500 0.001 0.000 1.120 277 K HN 0.547 nan 8.250 nan 0.000 0.428 278 T N 1.438 116.004 114.554 0.020 0.000 2.758 278 T HA 0.540 4.890 4.350 -0.001 0.000 0.285 278 T C -0.038 174.669 174.700 0.010 0.000 0.981 278 T CA -0.530 61.585 62.100 0.025 0.000 0.965 278 T CB 1.315 70.208 68.868 0.042 0.000 0.927 278 T HN 0.865 nan 8.240 nan 0.000 0.448 279 G N 2.261 111.059 108.800 -0.003 0.000 2.764 279 G HA2 -0.039 3.920 3.960 -0.001 0.000 0.686 279 G HA3 -0.039 3.920 3.960 -0.001 0.000 0.686 279 G C -0.826 174.010 174.900 -0.107 0.000 1.258 279 G CA -0.854 44.208 45.100 -0.063 0.000 0.846 279 G HN 0.795 nan 8.290 nan 0.000 0.596 280 K N 0.338 120.652 120.400 -0.145 0.000 2.323 280 K HA 0.738 5.058 4.320 -0.001 0.000 0.259 280 K C -0.615 175.871 176.600 -0.190 0.000 0.947 280 K CA -0.589 55.622 56.287 -0.126 0.000 0.819 280 K CB 1.954 34.414 32.500 -0.066 0.000 1.109 280 K HN 1.488 nan 8.250 nan 0.000 0.429 281 V N 6.093 125.900 119.914 -0.178 0.000 2.588 281 V HA 0.594 4.713 4.120 -0.001 0.000 0.304 281 V C -1.249 174.759 176.094 -0.143 0.000 1.042 281 V CA -0.885 61.298 62.300 -0.195 0.000 0.877 281 V CB 1.411 33.089 31.823 -0.242 0.000 0.996 281 V HN 0.731 nan 8.190 nan 0.000 0.425 282 I N 7.196 127.693 120.570 -0.123 0.000 2.359 282 I HA 0.476 4.645 4.170 -0.001 0.000 0.294 282 I C -0.081 175.960 176.117 -0.128 0.000 0.987 282 I CA -0.343 60.878 61.300 -0.133 0.000 1.225 282 I CB 1.641 39.575 38.000 -0.110 0.000 1.366 282 I HN 0.540 nan 8.210 nan 0.000 0.466 283 I N 7.084 127.567 120.570 -0.144 0.000 2.355 283 I HA 0.361 4.530 4.170 -0.001 0.000 0.288 283 I C -0.053 175.993 176.117 -0.119 0.000 0.999 283 I CA -0.548 60.681 61.300 -0.118 0.000 1.163 283 I CB 1.598 39.530 38.000 -0.113 0.000 1.316 283 I HN 0.305 nan 8.210 nan 0.000 0.454 284 I N 6.260 126.779 120.570 -0.084 0.000 2.337 284 I HA 0.499 4.668 4.170 -0.001 0.000 0.291 284 I C 0.701 176.794 176.117 -0.040 0.000 1.046 284 I CA -0.043 61.215 61.300 -0.069 0.000 1.324 284 I CB 0.660 38.642 38.000 -0.032 0.000 1.409 284 I HN 0.816 nan 8.210 nan 0.000 0.494 285 G N 3.736 112.497 108.800 -0.064 0.000 3.055 285 G HA2 -0.160 3.799 3.960 -0.001 0.000 0.686 285 G HA3 -0.160 3.799 3.960 -0.001 0.000 0.686 285 G C -0.208 174.663 174.900 -0.049 0.000 1.087 285 G CA -0.455 44.621 45.100 -0.041 0.000 0.779 285 G HN 0.583 nan 8.290 nan 0.000 0.599 286 S N 1.356 117.025 115.700 -0.052 0.000 2.484 286 S HA 0.584 5.053 4.470 -0.001 0.000 0.242 286 S C 1.303 175.892 174.600 -0.018 0.000 1.158 286 S CA 0.875 59.047 58.200 -0.048 0.000 1.162 286 S CB -0.702 62.458 63.200 -0.067 0.000 0.850 286 S HN 1.687 nan 8.310 nan 0.000 0.477 287 G N 0.382 109.184 108.800 0.002 0.000 2.535 287 G HA2 0.360 4.319 3.960 -0.001 0.000 0.282 287 G HA3 0.360 4.319 3.960 -0.001 0.000 0.282 287 G C 1.068 175.968 174.900 -0.000 0.000 1.350 287 G CA -0.341 44.768 45.100 0.015 0.000 1.039 287 G HN 0.252 nan 8.290 nan 0.000 0.509 288 V N 0.709 120.618 119.914 -0.008 0.000 2.407 288 V HA -0.209 3.911 4.120 -0.001 0.000 0.248 288 V C 3.268 179.357 176.094 -0.009 0.000 1.055 288 V CA 2.648 64.941 62.300 -0.012 0.000 1.049 288 V CB -0.606 31.199 31.823 -0.031 0.000 0.662 288 V HN 0.836 nan 8.190 nan 0.000 0.455 289 S N 0.934 116.630 115.700 -0.007 0.000 2.355 289 S HA -0.103 4.366 4.470 -0.001 0.000 0.222 289 S C 2.133 176.723 174.600 -0.017 0.000 1.031 289 S CA 1.445 59.640 58.200 -0.009 0.000 0.993 289 S CB -1.029 62.174 63.200 0.006 0.000 0.859 289 S HN 0.518 nan 8.310 nan 0.000 0.453 290 G N 1.888 110.680 108.800 -0.013 0.000 2.418 290 G HA2 -0.012 3.948 3.960 -0.001 0.000 0.217 290 G HA3 -0.012 3.948 3.960 -0.001 0.000 0.217 290 G C 1.499 176.370 174.900 -0.048 0.000 1.158 290 G CA 0.880 45.960 45.100 -0.033 0.000 0.771 290 G HN 0.491 nan 8.290 nan 0.000 0.545 291 L N 0.707 121.908 121.223 -0.036 0.000 2.017 291 L HA -0.068 4.271 4.340 -0.001 0.000 0.208 291 L C 3.427 180.273 176.870 -0.040 0.000 1.073 291 L CA 1.123 55.940 54.840 -0.039 0.000 0.745 291 L CB -0.430 41.617 42.059 -0.020 0.000 0.894 291 L HN 0.299 nan 8.230 nan 0.000 0.432 292 A N -0.033 122.771 122.820 -0.025 0.000 1.902 292 A HA -0.184 4.136 4.320 -0.001 0.000 0.217 292 A C 2.523 180.068 177.584 -0.065 0.000 1.181 292 A CA 1.823 53.848 52.037 -0.021 0.000 0.623 292 A CB -0.774 18.221 19.000 -0.008 0.000 0.818 292 A HN 0.408 nan 8.150 nan 0.000 0.443 293 A N -0.198 122.577 122.820 -0.075 0.000 1.902 293 A HA 0.172 4.492 4.320 -0.001 0.000 0.217 293 A C 2.515 180.016 177.584 -0.138 0.000 1.181 293 A CA 2.104 54.078 52.037 -0.104 0.000 0.623 293 A CB -1.036 17.913 19.000 -0.085 0.000 0.818 293 A HN 1.046 nan 8.150 nan 0.000 0.443 294 A N -0.003 122.747 122.820 -0.118 0.000 1.858 294 A HA -0.192 4.128 4.320 -0.001 0.000 0.216 294 A C 2.243 179.735 177.584 -0.154 0.000 1.190 294 A CA 1.594 53.554 52.037 -0.128 0.000 0.617 294 A CB -0.542 18.394 19.000 -0.106 0.000 0.827 294 A HN 0.547 nan 8.150 nan 0.000 0.443 295 R N -0.865 119.552 120.500 -0.138 0.000 2.091 295 R HA -0.154 4.186 4.340 -0.001 0.000 0.238 295 R C 2.444 178.593 176.300 -0.253 0.000 1.136 295 R CA 1.465 57.472 56.100 -0.155 0.000 0.959 295 R CB -0.342 29.894 30.300 -0.106 0.000 0.856 295 R HN 0.565 nan 8.270 nan 0.000 0.437 296 Q N 0.453 120.056 119.800 -0.329 0.000 2.020 296 Q HA -0.135 4.204 4.340 -0.001 0.000 0.202 296 Q C 2.229 177.630 176.000 -0.998 0.000 0.982 296 Q CA 1.162 56.544 55.803 -0.703 0.000 0.838 296 Q CB -0.345 28.037 28.738 -0.593 0.000 0.899 296 Q HN 0.199 nan 8.270 nan 0.000 0.423 297 L N 1.243 122.165 121.223 -0.501 0.000 2.042 297 L HA -0.215 4.125 4.340 -0.001 0.000 0.210 297 L C 2.537 179.316 176.870 -0.153 0.000 1.076 297 L CA 1.848 56.546 54.840 -0.238 0.000 0.749 297 L CB -1.114 40.860 42.059 -0.142 0.000 0.893 297 L HN 0.359 nan 8.230 nan 0.000 0.432 298 Q N -0.863 118.833 119.800 -0.174 0.000 2.046 298 Q HA -0.191 4.149 4.340 -0.001 0.000 0.200 298 Q C 2.254 178.208 176.000 -0.076 0.000 0.975 298 Q CA 2.178 57.919 55.803 -0.104 0.000 0.836 298 Q CB -0.081 28.592 28.738 -0.108 0.000 0.896 298 Q HN 0.587 nan 8.270 nan 0.000 0.428 299 S N -0.689 114.920 115.700 -0.150 0.000 2.469 299 S HA -0.082 4.388 4.470 -0.001 0.000 0.238 299 S C 1.298 175.970 174.600 0.120 0.000 0.998 299 S CA 0.539 58.707 58.200 -0.054 0.000 0.957 299 S CB -0.317 62.833 63.200 -0.083 0.000 0.764 299 S HN 0.406 nan 8.310 nan 0.000 0.514 300 F N 2.046 121.993 119.950 -0.005 0.000 2.789 300 F HA 0.400 4.927 4.527 -0.001 0.000 0.300 300 F C 2.055 177.852 175.800 -0.005 0.000 1.132 300 F CA -0.687 57.308 58.000 -0.008 0.000 1.404 300 F CB -0.813 38.170 39.000 -0.028 0.000 1.114 300 F HN 0.428 nan 8.300 nan 0.000 0.584 301 G N 0.469 109.364 108.800 0.158 0.000 2.130 301 G HA2 -0.266 3.693 3.960 -0.001 0.000 0.216 301 G HA3 -0.266 3.693 3.960 -0.001 0.000 0.216 301 G C 0.249 175.184 174.900 0.058 0.000 0.999 301 G CA -0.116 45.036 45.100 0.088 0.000 0.686 301 G HN 0.217 nan 8.290 nan 0.000 0.515 302 M N 0.058 119.685 119.600 0.045 0.000 2.471 302 M HA 0.421 4.900 4.480 -0.001 0.000 0.309 302 M C -0.316 175.966 176.300 -0.029 0.000 1.186 302 M CA -0.733 54.568 55.300 0.002 0.000 1.008 302 M CB 1.035 33.627 32.600 -0.013 0.000 1.551 302 M HN 0.090 nan 8.290 nan 0.000 0.477 303 D N 1.746 122.119 120.400 -0.046 0.000 2.313 303 D HA 0.415 5.054 4.640 -0.001 0.000 0.239 303 D C -1.697 174.558 176.300 -0.075 0.000 1.142 303 D CA -0.079 53.891 54.000 -0.050 0.000 0.847 303 D CB 1.154 41.931 40.800 -0.038 0.000 1.082 303 D HN 0.342 nan 8.370 nan 0.000 0.480 304 V N 3.368 123.234 119.914 -0.080 0.000 2.789 304 V HA 0.678 4.798 4.120 -0.001 0.000 0.311 304 V C -0.971 175.059 176.094 -0.106 0.000 1.073 304 V CA -0.239 61.999 62.300 -0.102 0.000 0.921 304 V CB 2.281 34.036 31.823 -0.113 0.000 1.009 304 V HN 0.611 nan 8.190 nan 0.000 0.426 305 T N 7.393 121.869 114.554 -0.131 0.000 2.881 305 T HA 0.652 5.002 4.350 -0.001 0.000 0.290 305 T C -1.022 173.559 174.700 -0.199 0.000 1.000 305 T CA -0.304 61.699 62.100 -0.162 0.000 0.978 305 T CB 1.381 70.136 68.868 -0.188 0.000 0.997 305 T HN 0.517 nan 8.240 nan 0.000 0.443 306 L N 3.138 124.246 121.223 -0.192 0.000 2.295 306 L HA 0.558 4.898 4.340 -0.001 0.000 0.285 306 L C -0.467 176.257 176.870 -0.243 0.000 1.035 306 L CA -0.404 54.323 54.840 -0.189 0.000 0.806 306 L CB 0.964 42.939 42.059 -0.140 0.000 1.214 306 L HN 0.456 nan 8.230 nan 0.000 0.426 307 L N 3.084 124.153 121.223 -0.258 0.000 2.280 307 L HA 0.540 4.879 4.340 -0.001 0.000 0.287 307 L C -0.386 176.357 176.870 -0.212 0.000 1.023 307 L CA -0.537 54.130 54.840 -0.288 0.000 0.819 307 L CB 1.601 43.456 42.059 -0.341 0.000 1.212 307 L HN 0.512 nan 8.230 nan 0.000 0.420 308 E N 2.086 122.157 120.200 -0.214 0.000 2.165 308 E HA 0.483 4.832 4.350 -0.001 0.000 0.266 308 E C 0.285 176.701 176.600 -0.307 0.000 0.889 308 E CA -0.329 55.939 56.400 -0.220 0.000 0.756 308 E CB 2.065 31.662 29.700 -0.172 0.000 1.131 308 E HN 0.569 nan 8.360 nan 0.000 0.411 309 A N 5.343 127.880 122.820 -0.471 0.000 1.930 309 A HA -0.038 4.281 4.320 -0.001 0.000 0.217 309 A C 1.020 178.122 177.584 -0.804 0.000 1.175 309 A CA 0.955 52.498 52.037 -0.823 0.000 0.627 309 A CB -0.208 17.801 19.000 -1.650 0.000 0.815 309 A HN 0.609 nan 8.150 nan 0.000 0.443 310 R N 0.098 120.218 120.500 -0.634 0.000 2.652 310 R HA 0.263 4.602 4.340 -0.001 0.000 0.272 310 R C -0.150 176.050 176.300 -0.167 0.000 1.162 310 R CA 0.206 56.097 56.100 -0.349 0.000 1.199 310 R CB 0.089 30.288 30.300 -0.168 0.000 1.166 310 R HN 0.430 nan 8.270 nan 0.000 0.597 311 D N 0.104 120.466 120.400 -0.063 0.000 2.491 311 D HA 0.053 4.692 4.640 -0.001 0.000 0.228 311 D C -0.225 176.066 176.300 -0.016 0.000 1.183 311 D CA -0.345 53.636 54.000 -0.031 0.000 0.827 311 D CB -0.050 40.754 40.800 0.006 0.000 0.989 311 D HN 0.505 nan 8.370 nan 0.000 0.494 312 R N -1.672 118.813 120.500 -0.024 0.000 2.728 312 R HA 0.557 4.896 4.340 -0.001 0.000 0.274 312 R C -1.122 175.171 176.300 -0.011 0.000 1.030 312 R CA -1.072 55.027 56.100 -0.002 0.000 0.876 312 R CB 0.787 31.107 30.300 0.033 0.000 1.259 312 R HN -0.101 nan 8.270 nan 0.000 0.468 313 V N -1.788 118.127 119.914 0.002 0.000 3.096 313 V HA 0.889 5.009 4.120 -0.001 0.000 0.319 313 V C 0.910 177.023 176.094 0.032 0.000 1.082 313 V CA 0.379 62.678 62.300 -0.000 0.000 1.022 313 V CB 0.871 32.689 31.823 -0.008 0.000 1.103 313 V HN 1.260 nan 8.190 nan 0.000 0.455 314 G N -0.728 108.090 108.800 0.030 0.000 2.307 314 G HA2 0.116 4.076 3.960 -0.001 0.000 0.210 314 G HA3 0.116 4.076 3.960 -0.001 0.000 0.210 314 G C 1.584 176.521 174.900 0.063 0.000 1.005 314 G CA 0.733 45.860 45.100 0.045 0.000 0.634 314 G HN 2.584 nan 8.290 nan 0.000 0.496 315 G N 0.621 109.479 108.800 0.097 0.000 2.672 315 G HA2 -0.429 3.530 3.960 -0.001 0.000 0.332 315 G HA3 -0.429 3.530 3.960 -0.001 0.000 0.332 315 G C 0.972 176.003 174.900 0.217 0.000 1.213 315 G CA 1.582 46.773 45.100 0.152 0.000 0.980 315 G HN 1.178 nan 8.290 nan 0.000 0.548 316 R N -0.168 120.392 120.500 0.101 0.000 2.323 316 R HA 0.306 4.645 4.340 -0.001 0.000 0.198 316 R C 0.299 176.559 176.300 -0.068 0.000 0.988 316 R CA 0.227 56.283 56.100 -0.073 0.000 1.041 316 R CB 0.114 30.279 30.300 -0.224 0.000 0.926 316 R HN 0.202 nan 8.270 nan 0.000 0.476 317 V N 1.334 121.247 119.914 -0.002 0.000 2.333 317 V HA 0.474 4.593 4.120 -0.001 0.000 0.274 317 V C -0.297 175.877 176.094 0.133 0.000 1.028 317 V CA -0.547 61.735 62.300 -0.030 0.000 0.851 317 V CB 1.237 32.979 31.823 -0.135 0.000 1.000 317 V HN 0.128 nan 8.190 nan 0.000 0.456 318 A N 3.855 126.811 122.820 0.228 0.000 2.446 318 A HA 0.732 5.051 4.320 -0.001 0.000 0.282 318 A C -0.187 177.561 177.584 0.274 0.000 1.102 318 A CA -0.463 51.743 52.037 0.281 0.000 0.737 318 A CB 1.321 20.570 19.000 0.415 0.000 1.212 318 A HN 0.609 nan 8.150 nan 0.000 0.434 319 T N 2.330 117.022 114.554 0.230 0.000 2.794 319 T HA 0.498 4.848 4.350 -0.001 0.000 0.280 319 T C -0.590 174.257 174.700 0.245 0.000 0.987 319 T CA -0.094 62.148 62.100 0.237 0.000 0.993 319 T CB 0.620 69.602 68.868 0.191 0.000 0.939 319 T HN 0.524 nan 8.240 nan 0.000 0.449 320 F N 4.102 124.127 119.950 0.126 0.000 2.411 320 F HA 0.573 5.100 4.527 -0.001 0.000 0.350 320 F C 0.190 176.057 175.800 0.112 0.000 1.114 320 F CA -0.950 57.111 58.000 0.102 0.000 1.135 320 F CB 0.441 39.492 39.000 0.086 0.000 1.120 320 F HN 0.399 nan 8.300 nan 0.000 0.495 321 R N 5.806 125.922 120.500 -0.640 0.000 2.502 321 R HA 0.401 4.740 4.340 -0.001 0.000 0.298 321 R C -1.486 174.442 176.300 -0.620 0.000 1.018 321 R CA -1.023 54.761 56.100 -0.526 0.000 0.899 321 R CB 2.038 32.226 30.300 -0.187 0.000 1.181 321 R HN 0.681 nan 8.270 nan 0.000 0.444 322 K N 2.022 122.093 120.400 -0.549 0.000 2.565 322 K HA 0.414 4.733 4.320 -0.001 0.000 0.251 322 K C 0.207 176.749 176.600 -0.096 0.000 0.956 322 K CA 0.123 56.253 56.287 -0.262 0.000 0.809 322 K CB 1.598 33.986 32.500 -0.185 0.000 1.267 322 K HN 0.616 nan 8.250 nan 0.000 0.438 323 G N 3.551 112.299 108.800 -0.087 0.000 2.622 323 G HA2 -0.366 3.593 3.960 -0.001 0.000 0.307 323 G HA3 -0.366 3.593 3.960 -0.001 0.000 0.307 323 G C 0.271 175.070 174.900 -0.168 0.000 1.226 323 G CA 0.419 45.445 45.100 -0.124 0.000 0.997 323 G HN 0.733 nan 8.290 nan 0.000 0.551 324 N N 0.337 118.858 118.700 -0.298 0.000 2.336 324 N HA 0.121 4.861 4.740 -0.001 0.000 0.189 324 N C -0.181 175.225 175.510 -0.172 0.000 1.113 324 N CA 0.352 53.261 53.050 -0.235 0.000 0.858 324 N CB 0.287 38.618 38.487 -0.260 0.000 0.970 324 N HN 0.402 nan 8.380 nan 0.000 0.471 325 Y N 0.811 121.120 120.300 0.015 0.000 2.359 325 Y HA 0.281 4.830 4.550 -0.001 0.000 0.334 325 Y C 0.512 176.408 175.900 -0.006 0.000 1.058 325 Y CA -0.587 57.549 58.100 0.061 0.000 1.244 325 Y CB 0.861 39.417 38.460 0.159 0.000 1.187 325 Y HN -0.326 nan 8.280 nan 0.000 0.510 326 V N 2.612 122.682 119.914 0.261 0.000 2.638 326 V HA 0.923 5.042 4.120 -0.001 0.000 0.306 326 V C -0.551 175.712 176.094 0.282 0.000 1.052 326 V CA -0.985 61.429 62.300 0.189 0.000 0.885 326 V CB 1.608 33.512 31.823 0.134 0.000 0.999 326 V HN 0.856 nan 8.190 nan 0.000 0.424 327 A N 2.874 125.889 122.820 0.324 0.000 2.577 327 A HA 0.675 4.994 4.320 -0.001 0.000 0.297 327 A C -1.586 176.190 177.584 0.320 0.000 1.060 327 A CA -0.652 51.579 52.037 0.324 0.000 0.697 327 A CB 1.512 20.705 19.000 0.322 0.000 1.281 327 A HN 0.680 nan 8.150 nan 0.000 0.402 328 D N 2.502 123.083 120.400 0.303 0.000 2.274 328 D HA 0.314 4.954 4.640 -0.001 0.000 0.239 328 D C 0.619 177.106 176.300 0.312 0.000 1.104 328 D CA -0.318 53.868 54.000 0.311 0.000 0.840 328 D CB 1.602 42.598 40.800 0.327 0.000 1.100 328 D HN 0.324 nan 8.370 nan 0.000 0.477 329 L N 1.849 123.270 121.223 0.330 0.000 2.446 329 L HA 0.161 4.501 4.340 -0.001 0.000 0.219 329 L C 1.521 178.732 176.870 0.568 0.000 1.116 329 L CA 0.744 55.815 54.840 0.385 0.000 0.844 329 L CB -0.646 41.601 42.059 0.313 0.000 0.970 329 L HN 0.356 nan 8.230 nan 0.000 0.457 330 G N -0.975 108.082 108.800 0.427 0.000 3.194 330 G HA2 0.502 4.462 3.960 -0.001 0.000 0.160 330 G HA3 0.502 4.462 3.960 -0.001 0.000 0.160 330 G C -0.295 174.668 174.900 0.105 0.000 1.267 330 G CA 0.207 45.410 45.100 0.171 0.000 0.962 330 G HN 0.212 nan 8.290 nan 0.000 0.612 331 A N -0.457 122.355 122.820 -0.013 0.000 2.540 331 A HA 0.457 4.777 4.320 -0.001 0.000 0.239 331 A C 0.738 178.471 177.584 0.248 0.000 1.061 331 A CA 0.955 52.999 52.037 0.012 0.000 0.758 331 A CB 0.315 19.168 19.000 -0.246 0.000 0.991 331 A HN 0.734 nan 8.150 nan 0.000 0.502 332 M N 2.313 122.118 119.600 0.343 0.000 2.086 332 M HA 0.214 4.693 4.480 -0.001 0.000 0.301 332 M C -0.911 175.562 176.300 0.290 0.000 1.034 332 M CA 0.475 56.011 55.300 0.394 0.000 1.122 332 M CB 0.703 33.531 32.600 0.380 0.000 1.969 332 M HN 0.412 nan 8.290 nan 0.000 0.670 333 V N 2.031 122.096 119.914 0.251 0.000 2.483 333 V HA 0.396 4.516 4.120 -0.001 0.000 0.295 333 V C -0.348 175.836 176.094 0.151 0.000 1.035 333 V CA -0.780 61.600 62.300 0.135 0.000 0.896 333 V CB 1.674 33.553 31.823 0.094 0.000 0.986 333 V HN -0.015 nan 8.190 nan 0.000 0.447 334 V N 3.836 123.781 119.914 0.051 0.000 2.333 334 V HA 0.213 4.332 4.120 -0.001 0.000 0.274 334 V C 0.911 176.974 176.094 -0.052 0.000 1.028 334 V CA -0.296 62.034 62.300 0.050 0.000 0.851 334 V CB 1.553 33.362 31.823 -0.024 0.000 1.000 334 V HN 1.050 nan 8.190 nan 0.000 0.456 335 T N 1.393 115.888 114.554 -0.098 0.000 4.320 335 T HA 0.495 4.844 4.350 -0.001 0.000 0.221 335 T C 0.659 175.310 174.700 -0.082 0.000 0.896 335 T CA 0.272 62.095 62.100 -0.461 0.000 0.928 335 T CB -0.615 68.048 68.868 -0.343 0.000 1.369 335 T HN 1.610 nan 8.240 nan 0.000 0.836 336 G N 0.683 109.518 108.800 0.059 0.000 2.785 336 G HA2 -0.130 3.829 3.960 -0.001 0.000 0.686 336 G HA3 -0.130 3.829 3.960 -0.001 0.000 0.686 336 G C 0.038 174.970 174.900 0.053 0.000 1.155 336 G CA -0.500 44.705 45.100 0.175 0.000 0.760 336 G HN 0.464 nan 8.290 nan 0.000 0.624 337 L N 1.541 122.770 121.223 0.009 0.000 2.354 337 L HA 0.242 4.582 4.340 -0.001 0.000 0.212 337 L C 2.336 179.122 176.870 -0.140 0.000 1.091 337 L CA 0.723 55.503 54.840 -0.101 0.000 0.828 337 L CB -0.154 41.876 42.059 -0.048 0.000 0.973 337 L HN 0.850 nan 8.230 nan 0.000 0.461 338 G N 0.037 108.856 108.800 0.032 0.000 2.369 338 G HA2 0.313 4.272 3.960 -0.001 0.000 0.287 338 G HA3 0.313 4.272 3.960 -0.001 0.000 0.287 338 G C 1.063 175.941 174.900 -0.037 0.000 1.009 338 G CA 0.538 45.749 45.100 0.185 0.000 1.393 338 G HN 0.474 nan 8.290 nan 0.000 0.432 339 G N 2.080 110.699 108.800 -0.301 0.000 2.176 339 G HA2 -0.292 3.667 3.960 -0.001 0.000 0.232 339 G HA3 -0.292 3.667 3.960 -0.001 0.000 0.232 339 G C 0.508 174.835 174.900 -0.955 0.000 0.986 339 G CA 0.087 44.862 45.100 -0.541 0.000 0.643 339 G HN 0.912 nan 8.290 nan 0.000 0.522 340 N N 1.630 119.575 118.700 -1.258 0.000 2.411 340 N HA 0.359 5.099 4.740 -0.001 0.000 0.259 340 N C -0.404 174.775 175.510 -0.551 0.000 1.103 340 N CA -1.722 50.464 53.050 -1.441 0.000 0.954 340 N CB 1.753 39.511 38.487 -1.214 0.000 1.085 340 N HN 0.132 nan 8.380 nan 0.000 0.485 341 P HA -0.124 nan 4.420 nan 0.000 0.222 341 P C 1.193 178.539 177.300 0.078 0.000 1.147 341 P CA 0.844 63.913 63.100 -0.051 0.000 0.790 341 P CB 0.280 31.888 31.700 -0.154 0.000 0.780 342 M N -0.465 119.126 119.600 -0.014 0.000 2.460 342 M HA -0.008 4.472 4.480 -0.001 0.000 0.263 342 M C 2.132 178.434 176.300 0.002 0.000 1.071 342 M CA 0.727 56.061 55.300 0.057 0.000 1.096 342 M CB -1.782 30.873 32.600 0.091 0.000 1.408 342 M HN -0.055 nan 8.290 nan 0.000 0.463 343 A N -0.203 122.579 122.820 -0.063 0.000 1.930 343 A HA -0.053 4.266 4.320 -0.001 0.000 0.217 343 A C 2.459 180.013 177.584 -0.050 0.000 1.175 343 A CA 1.454 53.448 52.037 -0.072 0.000 0.627 343 A CB -0.728 18.208 19.000 -0.106 0.000 0.815 343 A HN 0.277 nan 8.150 nan 0.000 0.443 344 V N -0.428 119.482 119.914 -0.006 0.000 2.270 344 V HA -0.207 3.912 4.120 -0.001 0.000 0.245 344 V C 2.589 178.651 176.094 -0.053 0.000 1.043 344 V CA 1.942 64.203 62.300 -0.066 0.000 1.014 344 V CB -0.737 31.076 31.823 -0.016 0.000 0.645 344 V HN 0.360 nan 8.190 nan 0.000 0.447 345 V N -0.074 119.877 119.914 0.062 0.000 2.332 345 V HA -0.281 3.838 4.120 -0.001 0.000 0.248 345 V C 2.711 178.817 176.094 0.020 0.000 1.055 345 V CA 2.390 64.732 62.300 0.071 0.000 1.038 345 V CB -0.845 31.073 31.823 0.157 0.000 0.651 345 V HN 0.646 nan 8.190 nan 0.000 0.450 346 S N -0.530 115.171 115.700 0.001 0.000 2.370 346 S HA -0.277 4.193 4.470 -0.001 0.000 0.226 346 S C 2.075 176.647 174.600 -0.046 0.000 1.033 346 S CA 1.926 60.107 58.200 -0.032 0.000 1.011 346 S CB -0.241 62.926 63.200 -0.055 0.000 0.852 346 S HN 0.641 nan 8.310 nan 0.000 0.457 347 K N 0.247 120.608 120.400 -0.066 0.000 2.057 347 K HA -0.054 4.265 4.320 -0.001 0.000 0.206 347 K C 2.578 179.132 176.600 -0.077 0.000 1.050 347 K CA 1.488 57.725 56.287 -0.085 0.000 0.935 347 K CB -0.224 32.199 32.500 -0.128 0.000 0.715 347 K HN 0.547 nan 8.250 nan 0.000 0.439 348 Q N 0.316 120.073 119.800 -0.072 0.000 2.124 348 Q HA -0.115 4.225 4.340 -0.001 0.000 0.202 348 Q C 1.975 177.961 176.000 -0.023 0.000 0.977 348 Q CA 1.634 57.408 55.803 -0.048 0.000 0.850 348 Q CB 0.013 28.738 28.738 -0.023 0.000 0.901 348 Q HN 0.281 nan 8.270 nan 0.000 0.429 349 V N -2.880 117.027 119.914 -0.013 0.000 3.621 349 V HA 0.180 4.299 4.120 -0.001 0.000 0.285 349 V C -0.171 175.916 176.094 -0.012 0.000 1.346 349 V CA 0.131 62.429 62.300 -0.004 0.000 1.104 349 V CB -0.730 31.103 31.823 0.016 0.000 0.913 349 V HN 0.410 nan 8.190 nan 0.000 0.432 350 N N 1.668 120.354 118.700 -0.024 0.000 2.738 350 N HA -0.190 4.549 4.740 -0.001 0.000 0.249 350 N C 0.107 175.602 175.510 -0.025 0.000 1.047 350 N CA 0.761 53.794 53.050 -0.027 0.000 0.707 350 N CB -0.892 37.581 38.487 -0.023 0.000 0.937 350 N HN 0.904 nan 8.380 nan 0.000 0.545 351 M N -1.098 118.483 119.600 -0.032 0.000 2.146 351 M HA 0.368 4.848 4.480 -0.001 0.000 0.357 351 M C -0.007 176.262 176.300 -0.052 0.000 1.261 351 M CA -0.145 55.131 55.300 -0.041 0.000 1.106 351 M CB 1.099 33.662 32.600 -0.061 0.000 1.612 351 M HN -0.126 nan 8.290 nan 0.000 0.470 352 E N 4.839 125.015 120.200 -0.039 0.000 2.299 352 E HA 0.354 4.704 4.350 -0.001 0.000 0.272 352 E C -0.973 175.598 176.600 -0.047 0.000 1.043 352 E CA 0.059 56.438 56.400 -0.035 0.000 0.895 352 E CB 0.911 30.602 29.700 -0.016 0.000 1.011 352 E HN 0.751 nan 8.360 nan 0.000 0.432 353 L N 1.572 122.767 121.223 -0.047 0.000 2.334 353 L HA 0.725 5.064 4.340 -0.001 0.000 0.273 353 L C -0.064 176.790 176.870 -0.025 0.000 1.013 353 L CA -0.948 53.861 54.840 -0.051 0.000 0.816 353 L CB 1.811 43.834 42.059 -0.060 0.000 1.278 353 L HN 0.434 nan 8.230 nan 0.000 0.431 354 A N 2.269 125.078 122.820 -0.019 0.000 2.455 354 A HA 0.567 4.887 4.320 -0.001 0.000 0.300 354 A C -0.957 176.627 177.584 0.001 0.000 1.040 354 A CA -0.789 51.246 52.037 -0.003 0.000 0.697 354 A CB 1.349 20.353 19.000 0.007 0.000 1.265 354 A HN 0.677 nan 8.150 nan 0.000 0.407 355 K N 1.080 121.487 120.400 0.011 0.000 2.355 355 K HA 0.352 4.672 4.320 -0.001 0.000 0.270 355 K C -0.754 175.853 176.600 0.012 0.000 1.003 355 K CA 0.379 56.678 56.287 0.020 0.000 0.957 355 K CB 0.636 33.151 32.500 0.026 0.000 0.939 355 K HN 0.580 nan 8.250 nan 0.000 0.482 356 I N 3.186 123.763 120.570 0.010 0.000 2.321 356 I HA 0.120 4.289 4.170 -0.001 0.000 0.291 356 I C 0.017 176.140 176.117 0.010 0.000 0.998 356 I CA -0.627 60.665 61.300 -0.014 0.000 1.227 356 I CB 1.174 39.145 38.000 -0.048 0.000 1.368 356 I HN 0.335 nan 8.210 nan 0.000 0.466 357 K N 5.760 126.175 120.400 0.025 0.000 2.350 357 K HA 0.114 4.434 4.320 -0.001 0.000 0.279 357 K C 0.610 177.239 176.600 0.048 0.000 1.027 357 K CA -0.206 56.106 56.287 0.042 0.000 0.969 357 K CB 0.905 33.441 32.500 0.059 0.000 0.954 357 K HN 0.568 nan 8.250 nan 0.000 0.474 358 Q N 1.609 121.438 119.800 0.048 0.000 2.187 358 Q HA -0.089 4.251 4.340 -0.001 0.000 0.199 358 Q C 0.195 176.243 176.000 0.080 0.000 0.957 358 Q CA 0.728 56.568 55.803 0.061 0.000 0.857 358 Q CB 0.093 28.861 28.738 0.051 0.000 0.929 358 Q HN 0.395 nan 8.270 nan 0.000 0.453 359 K N 1.292 121.735 120.400 0.071 0.000 2.440 359 K HA -0.073 4.246 4.320 -0.001 0.000 0.275 359 K C -1.242 175.412 176.600 0.089 0.000 1.082 359 K CA 0.164 56.492 56.287 0.068 0.000 1.135 359 K CB 0.232 32.770 32.500 0.062 0.000 0.864 359 K HN 0.146 nan 8.250 nan 0.000 0.479 360 C N 9.110 128.446 119.300 0.061 0.000 3.002 360 C HA 0.405 4.865 4.460 -0.001 0.000 0.248 360 C C -2.409 172.539 174.990 -0.070 0.000 1.153 360 C CA -2.219 56.835 59.018 0.060 0.000 1.502 360 C CB 0.014 27.812 27.740 0.097 0.000 1.805 360 C HN 0.724 nan 8.230 nan 0.000 0.450 361 P HA 0.217 nan 4.420 nan 0.000 0.268 361 P C -0.875 176.201 177.300 -0.374 0.000 1.205 361 P CA 0.049 63.016 63.100 -0.222 0.000 0.771 361 P CB 0.889 32.481 31.700 -0.179 0.000 0.858 362 L N 3.915 124.788 121.223 -0.582 0.000 2.325 362 L HA 0.430 4.770 4.340 -0.001 0.000 0.278 362 L C -0.272 176.175 176.870 -0.704 0.000 1.023 362 L CA -0.684 53.794 54.840 -0.604 0.000 0.811 362 L CB 0.644 42.315 42.059 -0.647 0.000 1.249 362 L HN 0.316 nan 8.230 nan 0.000 0.431 363 Y N 0.832 121.052 120.300 -0.133 0.000 2.376 363 Y HA 0.438 4.988 4.550 -0.001 0.000 0.340 363 Y C 0.396 176.268 175.900 -0.047 0.000 0.965 363 Y CA -0.880 57.172 58.100 -0.080 0.000 1.078 363 Y CB 1.531 39.956 38.460 -0.057 0.000 1.193 363 Y HN 0.556 nan 8.280 nan 0.000 0.452 364 E N 0.969 121.215 120.200 0.076 0.000 2.391 364 E HA 0.258 4.608 4.350 -0.001 0.000 0.255 364 E C 0.633 177.298 176.600 0.108 0.000 1.187 364 E CA 0.173 56.597 56.400 0.039 0.000 0.941 364 E CB 0.720 30.428 29.700 0.013 0.000 1.010 364 E HN 0.845 nan 8.360 nan 0.000 0.458 365 A N 1.890 124.756 122.820 0.078 0.000 2.131 365 A HA -0.225 4.095 4.320 -0.001 0.000 0.220 365 A C 1.484 179.160 177.584 0.153 0.000 1.158 365 A CA 1.972 54.117 52.037 0.181 0.000 0.665 365 A CB -0.783 18.294 19.000 0.129 0.000 0.795 365 A HN 0.651 nan 8.150 nan 0.000 0.460 366 N N -2.194 116.561 118.700 0.092 0.000 2.336 366 N HA 0.301 5.041 4.740 -0.001 0.000 0.189 366 N C 1.038 176.572 175.510 0.040 0.000 1.113 366 N CA 1.204 54.288 53.050 0.057 0.000 0.858 366 N CB -0.019 38.489 38.487 0.035 0.000 0.970 366 N HN 0.650 nan 8.380 nan 0.000 0.471 367 G N -0.298 108.542 108.800 0.066 0.000 2.213 367 G HA2 -0.309 3.651 3.960 -0.001 0.000 0.236 367 G HA3 -0.309 3.651 3.960 -0.001 0.000 0.236 367 G C -0.202 174.737 174.900 0.065 0.000 0.991 367 G CA 0.182 45.292 45.100 0.017 0.000 0.629 367 G HN 0.751 nan 8.290 nan 0.000 0.517 368 Q N 0.720 120.565 119.800 0.076 0.000 2.327 368 Q HA 0.723 5.063 4.340 -0.001 0.000 0.254 368 Q C 0.368 176.433 176.000 0.108 0.000 0.952 368 Q CA -0.061 55.790 55.803 0.080 0.000 0.884 368 Q CB 1.408 30.160 28.738 0.023 0.000 1.224 368 Q HN 1.135 nan 8.270 nan 0.000 0.422 369 A N 2.907 125.769 122.820 0.070 0.000 2.407 369 A HA 0.352 4.671 4.320 -0.001 0.000 0.248 369 A C -0.101 177.357 177.584 -0.209 0.000 1.082 369 A CA -0.666 51.234 52.037 -0.229 0.000 0.785 369 A CB 0.604 19.444 19.000 -0.266 0.000 1.020 369 A HN 0.626 nan 8.150 nan 0.000 0.489 370 V N 4.497 124.230 119.914 -0.302 0.000 2.488 370 V HA 0.224 4.343 4.120 -0.001 0.000 0.277 370 V C -1.846 174.139 176.094 -0.181 0.000 1.046 370 V CA -0.992 61.186 62.300 -0.204 0.000 0.986 370 V CB 0.717 32.408 31.823 -0.220 0.000 0.989 370 V HN 0.830 nan 8.190 nan 0.000 0.475 371 P HA 0.098 nan 4.420 nan 0.000 0.270 371 P C 0.829 178.074 177.300 -0.091 0.000 1.223 371 P CA -0.321 62.723 63.100 -0.093 0.000 0.785 371 P CB 0.697 32.358 31.700 -0.065 0.000 0.923 372 K N 1.741 122.096 120.400 -0.075 0.000 2.009 372 K HA -0.240 4.080 4.320 -0.001 0.000 0.210 372 K C 1.477 178.048 176.600 -0.048 0.000 1.049 372 K CA 1.902 58.152 56.287 -0.062 0.000 0.929 372 K CB -0.195 32.278 32.500 -0.045 0.000 0.714 372 K HN 0.388 nan 8.250 nan 0.000 0.440 373 E N 0.439 120.614 120.200 -0.041 0.000 2.070 373 E HA -0.209 4.140 4.350 -0.001 0.000 0.197 373 E C 2.208 178.786 176.600 -0.037 0.000 1.004 373 E CA 1.353 57.733 56.400 -0.033 0.000 0.805 373 E CB 0.024 29.706 29.700 -0.029 0.000 0.744 373 E HN 0.179 nan 8.360 nan 0.000 0.451 374 K N 0.878 121.250 120.400 -0.046 0.000 2.026 374 K HA -0.186 4.134 4.320 -0.001 0.000 0.208 374 K C 1.934 178.505 176.600 -0.048 0.000 1.048 374 K CA 1.154 57.411 56.287 -0.049 0.000 0.929 374 K CB -0.480 31.985 32.500 -0.057 0.000 0.713 374 K HN 0.183 nan 8.250 nan 0.000 0.439 375 D N 1.307 121.672 120.400 -0.058 0.000 2.127 375 D HA -0.209 4.431 4.640 -0.001 0.000 0.190 375 D C 1.506 177.795 176.300 -0.017 0.000 1.000 375 D CA 1.588 55.559 54.000 -0.047 0.000 0.839 375 D CB 0.148 40.900 40.800 -0.080 0.000 0.955 375 D HN 0.330 nan 8.370 nan 0.000 0.446 376 E N -0.202 119.984 120.200 -0.023 0.000 2.106 376 E HA -0.163 4.186 4.350 -0.001 0.000 0.192 376 E C 2.172 178.758 176.600 -0.023 0.000 0.984 376 E CA 0.382 56.773 56.400 -0.015 0.000 0.806 376 E CB -0.153 29.540 29.700 -0.011 0.000 0.750 376 E HN 0.324 nan 8.360 nan 0.000 0.458 377 M N 1.227 120.809 119.600 -0.029 0.000 2.065 377 M HA -0.159 4.321 4.480 -0.001 0.000 0.259 377 M C 2.326 178.597 176.300 -0.048 0.000 1.071 377 M CA 1.559 56.838 55.300 -0.034 0.000 1.109 377 M CB -0.334 32.242 32.600 -0.040 0.000 1.313 377 M HN 0.030 nan 8.290 nan 0.000 0.408 378 V N 0.503 120.384 119.914 -0.056 0.000 2.295 378 V HA -0.277 3.842 4.120 -0.001 0.000 0.246 378 V C 2.346 178.349 176.094 -0.152 0.000 1.049 378 V CA 2.262 64.516 62.300 -0.075 0.000 1.024 378 V CB -0.972 30.839 31.823 -0.020 0.000 0.648 378 V HN 0.559 nan 8.190 nan 0.000 0.447 379 E N -0.220 119.860 120.200 -0.200 0.000 2.118 379 E HA -0.321 4.029 4.350 -0.001 0.000 0.195 379 E C 2.312 178.867 176.600 -0.075 0.000 0.992 379 E CA 1.689 57.887 56.400 -0.337 0.000 0.804 379 E CB -0.094 29.518 29.700 -0.148 0.000 0.741 379 E HN 0.712 nan 8.360 nan 0.000 0.458 380 Q N 0.130 119.910 119.800 -0.033 0.000 2.050 380 Q HA -0.220 4.119 4.340 -0.001 0.000 0.202 380 Q C 1.924 177.933 176.000 0.016 0.000 0.980 380 Q CA 1.463 57.269 55.803 0.005 0.000 0.840 380 Q CB 0.078 28.817 28.738 0.002 0.000 0.898 380 Q HN 0.154 nan 8.270 nan 0.000 0.424 381 E N 0.139 120.344 120.200 0.008 0.000 2.110 381 E HA -0.170 4.180 4.350 -0.001 0.000 0.193 381 E C 1.644 178.279 176.600 0.059 0.000 0.988 381 E CA 0.809 57.235 56.400 0.044 0.000 0.804 381 E CB -0.456 29.250 29.700 0.010 0.000 0.745 381 E HN 0.421 nan 8.360 nan 0.000 0.458 382 F N 2.837 122.703 119.950 -0.141 0.000 2.065 382 F HA -0.243 4.284 4.527 -0.001 0.000 0.298 382 F C 1.764 177.558 175.800 -0.010 0.000 1.112 382 F CA 1.625 59.534 58.000 -0.151 0.000 1.212 382 F CB -0.389 38.401 39.000 -0.351 0.000 0.975 382 F HN -0.016 nan 8.300 nan 0.000 0.476 383 N N 0.696 119.334 118.700 -0.104 0.000 2.120 383 N HA -0.160 4.579 4.740 -0.001 0.000 0.188 383 N C 1.962 177.411 175.510 -0.101 0.000 1.024 383 N CA 1.594 54.562 53.050 -0.137 0.000 0.852 383 N CB -0.499 37.997 38.487 0.015 0.000 1.003 383 N HN 0.422 nan 8.380 nan 0.000 0.424 384 R N 0.033 120.509 120.500 -0.039 0.000 2.092 384 R HA 0.014 4.353 4.340 -0.001 0.000 0.231 384 R C 1.827 178.120 176.300 -0.012 0.000 1.119 384 R CA 0.527 56.619 56.100 -0.013 0.000 0.970 384 R CB -0.251 30.060 30.300 0.018 0.000 0.864 384 R HN 0.083 nan 8.270 nan 0.000 0.440 385 L N 0.843 122.062 121.223 -0.006 0.000 2.017 385 L HA -0.137 4.202 4.340 -0.001 0.000 0.208 385 L C 2.176 179.037 176.870 -0.015 0.000 1.073 385 L CA 1.588 56.447 54.840 0.033 0.000 0.745 385 L CB -0.753 41.382 42.059 0.127 0.000 0.894 385 L HN 0.200 nan 8.230 nan 0.000 0.432 386 L N -1.038 120.109 121.223 -0.127 0.000 2.093 386 L HA -0.173 4.167 4.340 -0.001 0.000 0.208 386 L C 2.580 179.467 176.870 0.027 0.000 1.085 386 L CA 1.001 55.790 54.840 -0.086 0.000 0.755 386 L CB -0.395 41.538 42.059 -0.210 0.000 0.904 386 L HN 0.351 nan 8.230 nan 0.000 0.435 387 E N 0.532 120.737 120.200 0.008 0.000 2.110 387 E HA -0.212 4.137 4.350 -0.001 0.000 0.193 387 E C 2.092 178.741 176.600 0.081 0.000 0.988 387 E CA 1.347 57.777 56.400 0.050 0.000 0.804 387 E CB 0.150 29.859 29.700 0.016 0.000 0.745 387 E HN 0.434 nan 8.360 nan 0.000 0.458 388 A N 0.536 123.389 122.820 0.055 0.000 1.930 388 A HA -0.161 4.158 4.320 -0.001 0.000 0.217 388 A C 2.410 180.079 177.584 0.142 0.000 1.175 388 A CA 2.415 54.505 52.037 0.088 0.000 0.627 388 A CB -0.984 18.041 19.000 0.042 0.000 0.815 388 A HN 0.474 nan 8.150 nan 0.000 0.443 389 T N -3.268 111.346 114.554 0.100 0.000 2.904 389 T HA -0.111 4.238 4.350 -0.001 0.000 0.267 389 T C 2.052 176.813 174.700 0.101 0.000 1.059 389 T CA 1.821 63.973 62.100 0.086 0.000 1.137 389 T CB -0.552 68.349 68.868 0.054 0.000 0.879 389 T HN 0.350 nan 8.240 nan 0.000 0.467 390 S N 0.099 115.898 115.700 0.164 0.000 2.383 390 S HA -0.118 4.352 4.470 -0.001 0.000 0.227 390 S C 1.806 176.513 174.600 0.179 0.000 1.026 390 S CA 0.955 59.290 58.200 0.226 0.000 0.981 390 S CB -0.738 62.609 63.200 0.244 0.000 0.818 390 S HN 0.692 nan 8.310 nan 0.000 0.472 391 Y N 1.281 121.597 120.300 0.026 0.000 2.184 391 Y HA 0.032 4.581 4.550 -0.001 0.000 0.290 391 Y C 1.852 177.690 175.900 -0.103 0.000 1.129 391 Y CA 1.262 59.348 58.100 -0.024 0.000 1.144 391 Y CB -0.583 37.858 38.460 -0.031 0.000 0.995 391 Y HN 0.228 nan 8.280 nan 0.000 0.513 392 L N -0.190 120.952 121.223 -0.134 0.000 2.042 392 L HA -0.199 4.141 4.340 -0.001 0.000 0.210 392 L C 2.853 179.495 176.870 -0.380 0.000 1.076 392 L CA 2.158 56.821 54.840 -0.295 0.000 0.749 392 L CB -1.560 40.505 42.059 0.010 0.000 0.893 392 L HN 0.407 nan 8.230 nan 0.000 0.432 393 S N -1.710 113.818 115.700 -0.287 0.000 2.362 393 S HA -0.118 4.351 4.470 -0.001 0.000 0.221 393 S C 1.815 176.088 174.600 -0.546 0.000 1.032 393 S CA 0.679 58.625 58.200 -0.423 0.000 0.973 393 S CB -0.168 62.711 63.200 -0.537 0.000 0.849 393 S HN 0.557 nan 8.310 nan 0.000 0.465 394 H N -0.625 118.349 119.070 -0.160 0.000 2.575 394 H HA 0.296 4.851 4.556 -0.001 0.000 0.267 394 H C 1.731 176.944 175.328 -0.192 0.000 0.966 394 H CA 0.580 56.540 56.048 -0.147 0.000 1.165 394 H CB 0.412 30.120 29.762 -0.089 0.000 1.433 394 H HN 0.424 nan 8.280 nan 0.000 0.544 395 Q N 0.668 120.315 119.800 -0.256 0.000 2.511 395 Q HA 0.159 4.498 4.340 -0.001 0.000 0.236 395 Q C 1.631 177.362 176.000 -0.447 0.000 0.893 395 Q CA 0.452 56.063 55.803 -0.319 0.000 0.947 395 Q CB 0.346 28.832 28.738 -0.420 0.000 1.110 395 Q HN 0.291 nan 8.270 nan 0.000 0.591 396 L N 0.267 121.071 121.223 -0.698 0.000 2.616 396 L HA 0.258 4.597 4.340 -0.001 0.000 0.229 396 L C -0.050 176.369 176.870 -0.752 0.000 1.110 396 L CA 0.406 54.737 54.840 -0.849 0.000 0.884 396 L CB 0.152 41.384 42.059 -1.380 0.000 1.115 396 L HN 0.254 nan 8.230 nan 0.000 0.481 397 D N 0.627 120.746 120.400 -0.468 0.000 2.689 397 D HA -0.251 4.389 4.640 -0.001 0.000 0.237 397 D C -0.545 175.759 176.300 0.007 0.000 1.148 397 D CA 0.444 54.316 54.000 -0.214 0.000 0.656 397 D CB -0.932 39.805 40.800 -0.105 0.000 1.050 397 D HN 0.036 nan 8.370 nan 0.000 0.426 398 F N 0.724 120.593 119.950 -0.135 0.000 2.509 398 F HA 0.361 4.888 4.527 -0.001 0.000 0.344 398 F C 1.482 177.223 175.800 -0.098 0.000 1.197 398 F CA -0.923 57.017 58.000 -0.099 0.000 1.294 398 F CB -0.123 38.824 39.000 -0.089 0.000 1.643 398 F HN 0.075 nan 8.300 nan 0.000 0.596 399 N N 0.265 119.015 118.700 0.084 0.000 2.205 399 N HA 0.113 4.852 4.740 -0.001 0.000 0.201 399 N C -0.258 175.265 175.510 0.022 0.000 1.128 399 N CA 0.404 53.462 53.050 0.014 0.000 0.867 399 N CB 1.828 40.288 38.487 -0.044 0.000 0.996 399 N HN 0.092 nan 8.380 nan 0.000 0.503 400 V N 1.735 121.667 119.914 0.030 0.000 2.709 400 V HA 0.502 4.621 4.120 -0.001 0.000 0.308 400 V C -1.120 174.966 176.094 -0.012 0.000 1.062 400 V CA -0.807 61.500 62.300 0.012 0.000 0.901 400 V CB 2.801 34.633 31.823 0.015 0.000 1.003 400 V HN -0.083 nan 8.190 nan 0.000 0.425 401 L N 4.400 125.610 121.223 -0.021 0.000 2.493 401 L HA 0.640 4.980 4.340 -0.001 0.000 0.265 401 L C -0.067 176.784 176.870 -0.032 0.000 0.954 401 L CA 0.007 54.822 54.840 -0.043 0.000 0.844 401 L CB 1.880 43.906 42.059 -0.055 0.000 1.302 401 L HN 0.655 nan 8.230 nan 0.000 0.405 402 N N 3.454 122.132 118.700 -0.036 0.000 2.708 402 N HA -0.236 4.503 4.740 -0.001 0.000 0.249 402 N C -0.136 175.364 175.510 -0.017 0.000 1.097 402 N CA 1.213 54.247 53.050 -0.027 0.000 0.710 402 N CB -1.281 37.190 38.487 -0.026 0.000 1.032 402 N HN 0.736 nan 8.380 nan 0.000 0.551 403 N N -2.006 116.686 118.700 -0.014 0.000 2.747 403 N HA -0.211 4.529 4.740 -0.001 0.000 0.249 403 N C -0.954 174.555 175.510 -0.001 0.000 1.107 403 N CA 1.396 54.442 53.050 -0.006 0.000 0.707 403 N CB -0.674 37.810 38.487 -0.005 0.000 1.054 403 N HN 0.625 nan 8.380 nan 0.000 0.555 404 K N -0.100 120.299 120.400 -0.001 0.000 2.468 404 K HA 0.454 4.774 4.320 -0.001 0.000 0.252 404 K C -2.720 173.886 176.600 0.010 0.000 0.932 404 K CA -1.621 54.669 56.287 0.005 0.000 0.794 404 K CB 2.315 34.815 32.500 0.001 0.000 1.241 404 K HN -0.220 nan 8.250 nan 0.000 0.428 405 P HA 0.015 nan 4.420 nan 0.000 0.268 405 P C -0.594 176.721 177.300 0.024 0.000 1.204 405 P CA -0.429 62.691 63.100 0.033 0.000 0.768 405 P CB 0.528 32.260 31.700 0.054 0.000 0.842 406 V N 2.959 122.884 119.914 0.019 0.000 2.686 406 V HA 0.220 4.339 4.120 -0.001 0.000 0.295 406 V C 0.895 176.998 176.094 0.014 0.000 1.055 406 V CA 0.073 62.377 62.300 0.008 0.000 1.050 406 V CB 0.847 32.673 31.823 0.005 0.000 0.984 406 V HN 0.714 nan 8.190 nan 0.000 0.482 407 S N 4.142 119.839 115.700 -0.006 0.000 2.690 407 S HA 0.451 4.921 4.470 -0.001 0.000 0.291 407 S C 0.623 175.184 174.600 -0.066 0.000 1.138 407 S CA -0.640 57.550 58.200 -0.017 0.000 1.013 407 S CB 1.547 64.727 63.200 -0.032 0.000 1.053 407 S HN 0.536 nan 8.310 nan 0.000 0.539 408 L N 2.300 123.449 121.223 -0.123 0.000 2.046 408 L HA 0.174 4.514 4.340 -0.001 0.000 0.208 408 L C 2.311 179.036 176.870 -0.241 0.000 1.077 408 L CA 2.508 57.211 54.840 -0.229 0.000 0.747 408 L CB -1.437 40.316 42.059 -0.509 0.000 0.896 408 L HN 0.983 nan 8.230 nan 0.000 0.432 409 G N -1.421 107.231 108.800 -0.247 0.000 2.422 409 G HA2 -0.322 3.637 3.960 -0.001 0.000 0.218 409 G HA3 -0.322 3.637 3.960 -0.001 0.000 0.218 409 G C 1.499 176.284 174.900 -0.192 0.000 1.146 409 G CA 0.755 45.694 45.100 -0.268 0.000 0.769 409 G HN 0.562 nan 8.290 nan 0.000 0.547 410 Q N 0.124 119.846 119.800 -0.130 0.000 2.079 410 Q HA 0.033 4.372 4.340 -0.001 0.000 0.200 410 Q C 2.777 178.733 176.000 -0.074 0.000 0.974 410 Q CA 1.471 57.222 55.803 -0.087 0.000 0.840 410 Q CB -0.303 28.399 28.738 -0.059 0.000 0.898 410 Q HN 0.384 nan 8.270 nan 0.000 0.430 411 A N 0.741 123.519 122.820 -0.071 0.000 1.930 411 A HA -0.122 4.197 4.320 -0.001 0.000 0.217 411 A C 2.048 179.604 177.584 -0.047 0.000 1.175 411 A CA 1.022 53.035 52.037 -0.041 0.000 0.627 411 A CB -0.615 18.370 19.000 -0.025 0.000 0.815 411 A HN 0.448 nan 8.150 nan 0.000 0.443 412 L N -1.058 120.105 121.223 -0.100 0.000 2.046 412 L HA -0.179 4.161 4.340 -0.001 0.000 0.208 412 L C 2.593 179.432 176.870 -0.052 0.000 1.077 412 L CA 1.510 56.294 54.840 -0.095 0.000 0.747 412 L CB -0.430 41.471 42.059 -0.263 0.000 0.896 412 L HN 0.287 nan 8.230 nan 0.000 0.432 413 E N -0.402 119.749 120.200 -0.082 0.000 2.150 413 E HA -0.149 4.200 4.350 -0.001 0.000 0.193 413 E C 2.191 178.785 176.600 -0.010 0.000 0.985 413 E CA 0.795 57.172 56.400 -0.037 0.000 0.814 413 E CB -0.119 29.548 29.700 -0.055 0.000 0.752 413 E HN 0.170 nan 8.360 nan 0.000 0.466 414 V N -0.467 119.436 119.914 -0.019 0.000 2.379 414 V HA -0.189 3.930 4.120 -0.001 0.000 0.245 414 V C 2.167 178.258 176.094 -0.005 0.000 1.044 414 V CA 1.208 63.501 62.300 -0.011 0.000 1.036 414 V CB -0.243 31.573 31.823 -0.012 0.000 0.664 414 V HN 0.135 nan 8.190 nan 0.000 0.453 415 V N -0.057 119.860 119.914 0.004 0.000 2.407 415 V HA -0.261 3.858 4.120 -0.001 0.000 0.248 415 V C 2.153 178.230 176.094 -0.029 0.000 1.055 415 V CA 2.087 64.388 62.300 0.001 0.000 1.049 415 V CB -0.471 31.366 31.823 0.024 0.000 0.662 415 V HN 0.453 nan 8.190 nan 0.000 0.455 416 I N -0.669 119.912 120.570 0.018 0.000 2.252 416 I HA -0.279 3.891 4.170 -0.001 0.000 0.245 416 I C 2.666 178.761 176.117 -0.036 0.000 1.102 416 I CA 1.473 62.794 61.300 0.034 0.000 1.385 416 I CB -0.360 37.746 38.000 0.177 0.000 1.064 416 I HN 0.356 nan 8.210 nan 0.000 0.414 417 Q N 0.504 120.299 119.800 -0.009 0.000 2.096 417 Q HA -0.193 4.146 4.340 -0.001 0.000 0.204 417 Q C 2.404 178.377 176.000 -0.045 0.000 0.982 417 Q CA 1.437 57.232 55.803 -0.013 0.000 0.850 417 Q CB -0.079 28.657 28.738 -0.004 0.000 0.901 417 Q HN 0.542 nan 8.270 nan 0.000 0.422 418 L N 0.333 121.522 121.223 -0.058 0.000 2.046 418 L HA -0.229 4.111 4.340 -0.001 0.000 0.208 418 L C 2.530 179.334 176.870 -0.111 0.000 1.077 418 L CA 0.869 55.672 54.840 -0.062 0.000 0.747 418 L CB -0.551 41.477 42.059 -0.051 0.000 0.896 418 L HN 0.245 nan 8.230 nan 0.000 0.432 419 Q N 0.386 120.038 119.800 -0.246 0.000 2.084 419 Q HA -0.225 4.115 4.340 -0.001 0.000 0.202 419 Q C 2.069 177.888 176.000 -0.301 0.000 0.978 419 Q CA 1.598 57.130 55.803 -0.452 0.000 0.844 419 Q CB -0.215 27.769 28.738 -1.256 0.000 0.898 419 Q HN 0.604 nan 8.270 nan 0.000 0.426 420 E N 0.338 120.419 120.200 -0.198 0.000 2.150 420 E HA -0.175 4.174 4.350 -0.001 0.000 0.193 420 E C 1.916 178.505 176.600 -0.019 0.000 0.985 420 E CA 0.910 57.292 56.400 -0.030 0.000 0.814 420 E CB 0.064 29.787 29.700 0.039 0.000 0.752 420 E HN 0.027 nan 8.360 nan 0.000 0.466 421 K N 0.559 120.947 120.400 -0.021 0.000 2.057 421 K HA -0.194 4.125 4.320 -0.001 0.000 0.206 421 K C 1.974 178.574 176.600 0.000 0.000 1.050 421 K CA 1.595 57.878 56.287 -0.007 0.000 0.935 421 K CB -0.384 32.117 32.500 0.001 0.000 0.715 421 K HN 0.112 nan 8.250 nan 0.000 0.439 422 H N -0.322 118.697 119.070 -0.084 0.000 2.352 422 H HA -0.033 4.522 4.556 -0.001 0.000 0.299 422 H C 1.642 176.924 175.328 -0.077 0.000 1.097 422 H CA 1.974 57.974 56.048 -0.080 0.000 1.311 422 H CB -0.199 29.507 29.762 -0.093 0.000 1.377 422 H HN 0.031 nan 8.280 nan 0.000 0.504 423 V N 0.725 120.550 119.914 -0.148 0.000 2.358 423 V HA -0.207 3.913 4.120 -0.001 0.000 0.246 423 V C 2.542 178.508 176.094 -0.213 0.000 1.047 423 V CA 2.135 64.324 62.300 -0.184 0.000 1.035 423 V CB -0.489 31.318 31.823 -0.026 0.000 0.658 423 V HN 0.450 nan 8.190 nan 0.000 0.452 424 K N -0.297 120.012 120.400 -0.151 0.000 2.148 424 K HA -0.206 4.113 4.320 -0.001 0.000 0.204 424 K C 1.760 178.233 176.600 -0.213 0.000 1.050 424 K CA 1.650 57.834 56.287 -0.170 0.000 0.942 424 K CB -0.157 32.292 32.500 -0.084 0.000 0.724 424 K HN 0.435 nan 8.250 nan 0.000 0.446 425 D N 1.178 121.467 120.400 -0.184 0.000 2.097 425 D HA -0.143 4.496 4.640 -0.001 0.000 0.195 425 D C 1.635 177.807 176.300 -0.213 0.000 0.989 425 D CA 1.226 55.130 54.000 -0.160 0.000 0.827 425 D CB -0.064 40.672 40.800 -0.106 0.000 0.966 425 D HN 0.372 nan 8.370 nan 0.000 0.456 426 E N 0.385 120.402 120.200 -0.305 0.000 2.268 426 E HA -0.160 4.189 4.350 -0.001 0.000 0.195 426 E C 1.995 178.427 176.600 -0.280 0.000 0.995 426 E CA 0.312 56.548 56.400 -0.274 0.000 0.836 426 E CB 0.027 29.522 29.700 -0.342 0.000 0.763 426 E HN 0.372 nan 8.360 nan 0.000 0.491 427 Q N 0.936 120.498 119.800 -0.396 0.000 2.049 427 Q HA -0.129 4.210 4.340 -0.001 0.000 0.198 427 Q C 2.238 177.750 176.000 -0.814 0.000 0.971 427 Q CA 0.883 56.295 55.803 -0.652 0.000 0.833 427 Q CB 0.055 28.328 28.738 -0.774 0.000 0.896 427 Q HN 0.261 nan 8.270 nan 0.000 0.434 428 I N 0.982 121.217 120.570 -0.558 0.000 2.163 428 I HA -0.297 3.872 4.170 -0.001 0.000 0.243 428 I C 2.115 178.200 176.117 -0.053 0.000 1.085 428 I CA 1.519 62.676 61.300 -0.237 0.000 1.347 428 I CB -0.247 37.706 38.000 -0.078 0.000 1.044 428 I HN 0.322 nan 8.210 nan 0.000 0.408 429 E N -0.477 119.678 120.200 -0.074 0.000 2.110 429 E HA -0.274 4.075 4.350 -0.001 0.000 0.193 429 E C 2.100 178.720 176.600 0.032 0.000 0.988 429 E CA 1.005 57.401 56.400 -0.008 0.000 0.804 429 E CB -0.265 29.422 29.700 -0.022 0.000 0.745 429 E HN 0.567 nan 8.360 nan 0.000 0.458 430 H N -0.399 118.611 119.070 -0.100 0.000 2.389 430 H HA -0.128 4.428 4.556 -0.001 0.000 0.299 430 H C 1.546 176.941 175.328 0.110 0.000 1.081 430 H CA 1.183 57.207 56.048 -0.039 0.000 1.345 430 H CB 0.067 29.761 29.762 -0.113 0.000 1.393 430 H HN 0.276 nan 8.280 nan 0.000 0.520 431 W N 1.597 122.940 121.300 0.071 0.000 2.388 431 W HA -0.044 4.615 4.660 -0.001 0.000 0.294 431 W C 2.463 178.959 176.519 -0.038 0.000 1.212 431 W CA 0.421 57.775 57.345 0.015 0.000 1.271 431 W CB -0.449 29.036 29.460 0.041 0.000 1.126 431 W HN 0.210 nan 8.180 nan 0.000 0.535 432 K N 0.389 120.905 120.400 0.194 0.000 2.097 432 K HA -0.141 4.178 4.320 -0.001 0.000 0.205 432 K C 1.959 178.575 176.600 0.028 0.000 1.050 432 K CA 1.285 57.628 56.287 0.094 0.000 0.938 432 K CB -0.190 32.352 32.500 0.070 0.000 0.718 432 K HN 0.027 nan 8.250 nan 0.000 0.442 433 K N 0.503 120.893 120.400 -0.016 0.000 2.097 433 K HA -0.104 4.216 4.320 -0.001 0.000 0.206 433 K C 2.003 178.556 176.600 -0.079 0.000 1.049 433 K CA 0.997 57.245 56.287 -0.066 0.000 0.933 433 K CB -0.032 32.391 32.500 -0.128 0.000 0.717 433 K HN 0.048 nan 8.250 nan 0.000 0.442 434 I N 0.800 121.315 120.570 -0.092 0.000 2.113 434 I HA -0.226 3.943 4.170 -0.001 0.000 0.238 434 I C 2.335 178.437 176.117 -0.025 0.000 1.070 434 I CA 1.288 62.551 61.300 -0.062 0.000 1.332 434 I CB -1.043 36.946 38.000 -0.018 0.000 1.044 434 I HN -0.074 nan 8.210 nan 0.000 0.402 435 V N 1.288 121.201 119.914 -0.002 0.000 2.380 435 V HA -0.297 3.823 4.120 -0.001 0.000 0.251 435 V C 2.592 178.681 176.094 -0.009 0.000 1.063 435 V CA 1.953 64.250 62.300 -0.006 0.000 1.055 435 V CB -0.810 31.018 31.823 0.008 0.000 0.657 435 V HN 0.355 nan 8.190 nan 0.000 0.455 436 K N 0.440 120.835 120.400 -0.008 0.000 2.025 436 K HA -0.137 4.183 4.320 -0.001 0.000 0.207 436 K C 2.155 178.745 176.600 -0.017 0.000 1.049 436 K CA 2.217 58.498 56.287 -0.010 0.000 0.933 436 K CB -0.980 31.514 32.500 -0.010 0.000 0.714 436 K HN 0.424 nan 8.250 nan 0.000 0.438 437 T N 1.252 115.792 114.554 -0.023 0.000 2.720 437 T HA -0.143 4.207 4.350 -0.001 0.000 0.268 437 T C 1.742 176.428 174.700 -0.022 0.000 1.037 437 T CA 1.606 63.692 62.100 -0.024 0.000 1.144 437 T CB -0.170 68.679 68.868 -0.031 0.000 0.864 437 T HN 0.376 nan 8.240 nan 0.000 0.444 438 Q N 0.560 120.347 119.800 -0.022 0.000 2.084 438 Q HA -0.119 4.220 4.340 -0.001 0.000 0.202 438 Q C 2.385 178.373 176.000 -0.020 0.000 0.978 438 Q CA 1.281 57.071 55.803 -0.021 0.000 0.844 438 Q CB -0.164 28.561 28.738 -0.023 0.000 0.898 438 Q HN 0.635 nan 8.270 nan 0.000 0.426 439 E N 0.897 121.086 120.200 -0.018 0.000 2.110 439 E HA -0.196 4.154 4.350 -0.001 0.000 0.193 439 E C 1.862 178.452 176.600 -0.017 0.000 0.988 439 E CA 1.022 57.412 56.400 -0.016 0.000 0.804 439 E CB 0.036 29.728 29.700 -0.013 0.000 0.745 439 E HN 0.395 nan 8.360 nan 0.000 0.458 440 E N 0.843 121.031 120.200 -0.018 0.000 2.047 440 E HA -0.152 4.197 4.350 -0.001 0.000 0.191 440 E C 2.252 178.838 176.600 -0.025 0.000 0.987 440 E CA 0.642 57.029 56.400 -0.021 0.000 0.799 440 E CB -0.078 29.610 29.700 -0.021 0.000 0.752 440 E HN 0.202 nan 8.360 nan 0.000 0.449 441 L N 1.429 122.637 121.223 -0.025 0.000 2.013 441 L HA -0.246 4.093 4.340 -0.001 0.000 0.212 441 L C 2.743 179.597 176.870 -0.027 0.000 1.073 441 L CA 1.293 56.117 54.840 -0.027 0.000 0.753 441 L CB -0.497 41.548 42.059 -0.024 0.000 0.890 441 L HN 0.140 nan 8.230 nan 0.000 0.432 442 K N 0.848 121.235 120.400 -0.022 0.000 2.103 442 K HA -0.233 4.086 4.320 -0.001 0.000 0.207 442 K C 1.698 178.287 176.600 -0.020 0.000 1.048 442 K CA 1.892 58.168 56.287 -0.019 0.000 0.930 442 K CB -0.063 32.427 32.500 -0.017 0.000 0.716 442 K HN 0.438 nan 8.250 nan 0.000 0.444 443 E N 0.756 120.943 120.200 -0.021 0.000 2.076 443 E HA -0.075 4.275 4.350 -0.001 0.000 0.190 443 E C 1.888 178.471 176.600 -0.028 0.000 0.979 443 E CA 0.448 56.836 56.400 -0.021 0.000 0.807 443 E CB -0.103 29.586 29.700 -0.018 0.000 0.761 443 E HN 0.154 nan 8.360 nan 0.000 0.454 444 L N 0.940 122.142 121.223 -0.036 0.000 2.141 444 L HA -0.126 4.213 4.340 -0.001 0.000 0.209 444 L C 1.852 178.685 176.870 -0.062 0.000 1.094 444 L CA 1.317 56.126 54.840 -0.052 0.000 0.763 444 L CB -0.279 41.746 42.059 -0.058 0.000 0.908 444 L HN 0.195 nan 8.230 nan 0.000 0.437 445 L N 0.426 121.621 121.223 -0.047 0.000 2.056 445 L HA -0.178 4.161 4.340 -0.001 0.000 0.207 445 L C 2.501 179.357 176.870 -0.024 0.000 1.078 445 L CA 1.697 56.513 54.840 -0.040 0.000 0.749 445 L CB -1.213 40.831 42.059 -0.025 0.000 0.901 445 L HN 0.424 nan 8.230 nan 0.000 0.433 446 N N 0.421 119.110 118.700 -0.018 0.000 2.120 446 N HA -0.261 4.478 4.740 -0.001 0.000 0.188 446 N C 1.900 177.407 175.510 -0.004 0.000 1.024 446 N CA 1.486 54.531 53.050 -0.007 0.000 0.852 446 N CB 0.162 38.645 38.487 -0.008 0.000 1.003 446 N HN 0.420 nan 8.380 nan 0.000 0.424 447 K N 0.329 120.719 120.400 -0.017 0.000 2.217 447 K HA -0.012 4.307 4.320 -0.001 0.000 0.202 447 K C 2.027 178.620 176.600 -0.011 0.000 1.051 447 K CA 0.991 57.270 56.287 -0.014 0.000 0.952 447 K CB -0.051 32.434 32.500 -0.025 0.000 0.736 447 K HN 0.168 nan 8.250 nan 0.000 0.453 448 M N 0.399 119.976 119.600 -0.038 0.000 2.200 448 M HA -0.079 4.400 4.480 -0.001 0.000 0.265 448 M C 1.992 178.364 176.300 0.120 0.000 1.066 448 M CA 0.957 56.228 55.300 -0.048 0.000 1.127 448 M CB 0.032 32.515 32.600 -0.194 0.000 1.379 448 M HN 0.010 nan 8.290 nan 0.000 0.420 449 V N 1.071 121.028 119.914 0.073 0.000 2.427 449 V HA -0.274 3.846 4.120 -0.001 0.000 0.248 449 V C 1.635 177.770 176.094 0.069 0.000 1.051 449 V CA 1.906 64.254 62.300 0.080 0.000 1.048 449 V CB -0.854 30.994 31.823 0.042 0.000 0.666 449 V HN 0.542 nan 8.190 nan 0.000 0.456 450 N N -0.316 118.415 118.700 0.051 0.000 2.270 450 N HA -0.135 4.605 4.740 -0.001 0.000 0.181 450 N C 1.692 177.235 175.510 0.055 0.000 1.016 450 N CA 0.841 53.915 53.050 0.040 0.000 0.870 450 N CB -0.067 38.435 38.487 0.025 0.000 0.979 450 N HN 0.316 nan 8.380 nan 0.000 0.431 451 L N 1.777 123.054 121.223 0.090 0.000 2.109 451 L HA -0.027 4.313 4.340 -0.001 0.000 0.207 451 L C 1.861 178.795 176.870 0.107 0.000 1.086 451 L CA 1.588 56.499 54.840 0.118 0.000 0.760 451 L CB -0.240 41.932 42.059 0.188 0.000 0.910 451 L HN -0.082 nan 8.230 nan 0.000 0.437 452 K N -0.226 120.249 120.400 0.124 0.000 2.097 452 K HA -0.191 4.129 4.320 -0.001 0.000 0.206 452 K C 2.052 178.645 176.600 -0.012 0.000 1.049 452 K CA 1.221 57.510 56.287 0.003 0.000 0.933 452 K CB -0.121 32.391 32.500 0.021 0.000 0.717 452 K HN 0.274 nan 8.250 nan 0.000 0.442 453 E N 1.062 121.273 120.200 0.017 0.000 2.268 453 E HA -0.095 4.255 4.350 -0.001 0.000 0.195 453 E C 1.780 178.386 176.600 0.009 0.000 0.995 453 E CA 1.089 57.495 56.400 0.010 0.000 0.836 453 E CB 0.108 29.818 29.700 0.017 0.000 0.763 453 E HN 0.157 nan 8.360 nan 0.000 0.491 454 K N -0.224 120.184 120.400 0.014 0.000 2.076 454 K HA -0.006 4.313 4.320 -0.001 0.000 0.204 454 K C 1.742 178.344 176.600 0.003 0.000 1.051 454 K CA 0.685 56.979 56.287 0.013 0.000 0.949 454 K CB 0.039 32.551 32.500 0.020 0.000 0.726 454 K HN 0.090 nan 8.250 nan 0.000 0.443 455 I N 2.054 122.615 120.570 -0.015 0.000 2.335 455 I HA -0.255 3.914 4.170 -0.001 0.000 0.251 455 I C 2.201 178.305 176.117 -0.023 0.000 1.129 455 I CA 1.266 62.539 61.300 -0.044 0.000 1.402 455 I CB -0.953 36.976 38.000 -0.118 0.000 1.069 455 I HN 0.180 nan 8.210 nan 0.000 0.424 456 K N 1.734 122.126 120.400 -0.014 0.000 1.963 456 K HA -0.227 4.092 4.320 -0.001 0.000 0.216 456 K C 2.147 178.780 176.600 0.056 0.000 1.045 456 K CA 1.775 58.073 56.287 0.017 0.000 0.954 456 K CB -0.651 31.853 32.500 0.007 0.000 0.732 456 K HN 0.091 nan 8.250 nan 0.000 0.442 457 E N 0.676 120.895 120.200 0.032 0.000 2.068 457 E HA -0.235 4.115 4.350 -0.001 0.000 0.207 457 E C 1.863 178.484 176.600 0.035 0.000 1.032 457 E CA 1.553 57.969 56.400 0.027 0.000 0.839 457 E CB -0.520 29.189 29.700 0.015 0.000 0.758 457 E HN 0.397 nan 8.360 nan 0.000 0.457 458 L N 0.842 122.086 121.223 0.036 0.000 2.450 458 L HA -0.164 4.175 4.340 -0.001 0.000 0.225 458 L C 1.021 177.936 176.870 0.076 0.000 1.145 458 L CA 1.246 56.107 54.840 0.036 0.000 0.801 458 L CB -0.952 41.120 42.059 0.022 0.000 0.924 458 L HN 0.213 nan 8.230 nan 0.000 0.447 476 A N 1.990 124.857 122.820 0.078 0.000 1.915 476 A HA -0.191 4.128 4.320 -0.001 0.000 0.220 476 A C 2.209 179.826 177.584 0.055 0.000 1.198 476 A CA 2.575 54.642 52.037 0.050 0.000 0.647 476 A CB -1.111 17.908 19.000 0.031 0.000 0.825 476 A HN 0.788 nan 8.150 nan 0.000 0.456 477 E N -1.902 118.343 120.200 0.075 0.000 2.106 477 E HA -0.179 4.170 4.350 -0.001 0.000 0.192 477 E C 1.760 178.434 176.600 0.124 0.000 0.984 477 E CA 1.173 57.620 56.400 0.078 0.000 0.806 477 E CB -0.209 29.538 29.700 0.077 0.000 0.750 477 E HN 0.605 nan 8.360 nan 0.000 0.458 478 F N 0.984 120.936 119.950 0.003 0.000 2.206 478 F HA -0.100 4.426 4.527 -0.001 0.000 0.298 478 F C 1.979 177.787 175.800 0.014 0.000 1.090 478 F CA 0.814 58.818 58.000 0.008 0.000 1.323 478 F CB -0.384 38.620 39.000 0.007 0.000 1.028 478 F HN 0.088 nan 8.300 nan 0.000 0.492 479 L N -0.391 120.788 121.223 -0.074 0.000 2.131 479 L HA -0.151 4.188 4.340 -0.001 0.000 0.210 479 L C 2.098 178.883 176.870 -0.141 0.000 1.092 479 L CA 1.420 56.173 54.840 -0.145 0.000 0.759 479 L CB -0.735 41.302 42.059 -0.036 0.000 0.903 479 L HN 0.028 nan 8.230 nan 0.000 0.435 480 V N -0.495 119.371 119.914 -0.080 0.000 2.270 480 V HA -0.223 3.897 4.120 -0.001 0.000 0.245 480 V C 2.621 178.682 176.094 -0.056 0.000 1.043 480 V CA 1.635 63.906 62.300 -0.048 0.000 1.014 480 V CB -0.694 31.116 31.823 -0.020 0.000 0.645 480 V HN 0.379 nan 8.190 nan 0.000 0.447 481 K N 0.242 120.588 120.400 -0.091 0.000 2.152 481 K HA -0.099 4.221 4.320 -0.001 0.000 0.206 481 K C 2.371 178.901 176.600 -0.116 0.000 1.048 481 K CA 1.513 57.757 56.287 -0.073 0.000 0.933 481 K CB -0.518 31.957 32.500 -0.042 0.000 0.721 481 K HN 0.442 nan 8.250 nan 0.000 0.447 482 S N 1.138 116.648 115.700 -0.315 0.000 2.371 482 S HA -0.051 4.418 4.470 -0.001 0.000 0.224 482 S C 1.666 176.183 174.600 -0.139 0.000 1.029 482 S CA 1.011 59.021 58.200 -0.317 0.000 0.978 482 S CB 0.052 62.952 63.200 -0.501 0.000 0.833 482 S HN 0.203 nan 8.310 nan 0.000 0.466 483 K N 0.832 121.177 120.400 -0.093 0.000 2.283 483 K HA -0.030 4.290 4.320 -0.001 0.000 0.202 483 K C 1.762 178.355 176.600 -0.011 0.000 1.048 483 K CA 1.029 57.291 56.287 -0.042 0.000 0.948 483 K CB -0.636 31.849 32.500 -0.026 0.000 0.742 483 K HN 0.536 nan 8.250 nan 0.000 0.458 484 H N 2.211 121.244 119.070 -0.063 0.000 2.276 484 H HA -0.061 4.495 4.556 -0.001 0.000 0.301 484 H C 2.084 177.392 175.328 -0.033 0.000 1.073 484 H CA 2.380 58.405 56.048 -0.038 0.000 1.311 484 H CB 0.091 29.831 29.762 -0.037 0.000 1.379 484 H HN 0.207 nan 8.280 nan 0.000 0.494 485 R N 0.032 120.497 120.500 -0.059 0.000 2.193 485 R HA -0.078 4.261 4.340 -0.001 0.000 0.229 485 R C 1.062 177.298 176.300 -0.108 0.000 1.110 485 R CA 1.675 57.720 56.100 -0.091 0.000 0.988 485 R CB -0.063 30.237 30.300 0.001 0.000 0.871 485 R HN 0.334 nan 8.270 nan 0.000 0.458 486 D N 1.187 121.532 120.400 -0.093 0.000 2.110 486 D HA -0.012 4.627 4.640 -0.001 0.000 0.202 486 D C 2.088 178.341 176.300 -0.078 0.000 0.975 486 D CA 0.925 54.884 54.000 -0.069 0.000 0.839 486 D CB -0.133 40.636 40.800 -0.051 0.000 0.996 486 D HN 0.162 nan 8.370 nan 0.000 0.464 487 L N 0.908 122.073 121.223 -0.096 0.000 2.046 487 L HA -0.138 4.201 4.340 -0.001 0.000 0.208 487 L C 2.531 179.324 176.870 -0.128 0.000 1.077 487 L CA 1.608 56.393 54.840 -0.091 0.000 0.747 487 L CB -0.672 41.346 42.059 -0.069 0.000 0.896 487 L HN 0.182 nan 8.230 nan 0.000 0.432 488 T N -3.232 111.192 114.554 -0.217 0.000 3.007 488 T HA -0.039 4.310 4.350 -0.001 0.000 0.270 488 T C 1.766 176.403 174.700 -0.106 0.000 1.107 488 T CA 0.801 62.783 62.100 -0.197 0.000 1.118 488 T CB -0.121 68.553 68.868 -0.322 0.000 0.889 488 T HN 0.301 nan 8.240 nan 0.000 0.506 489 A N 1.454 124.222 122.820 -0.087 0.000 1.970 489 A HA 0.351 4.670 4.320 -0.001 0.000 0.216 489 A C 2.316 179.887 177.584 -0.021 0.000 1.170 489 A CA 0.665 52.676 52.037 -0.043 0.000 0.645 489 A CB -0.602 18.378 19.000 -0.034 0.000 0.816 489 A HN 0.543 nan 8.150 nan 0.000 0.447 490 L N -0.972 120.236 121.223 -0.025 0.000 2.478 490 L HA -0.100 4.239 4.340 -0.001 0.000 0.223 490 L C 1.665 178.551 176.870 0.027 0.000 1.140 490 L CA 0.382 55.223 54.840 0.003 0.000 0.842 490 L CB -0.321 41.734 42.059 -0.007 0.000 0.953 490 L HN 0.463 nan 8.230 nan 0.000 0.452 491 C N -1.024 118.275 119.300 -0.001 0.000 2.780 491 C HA 0.006 4.465 4.460 -0.001 0.000 0.267 491 C C 2.453 177.469 174.990 0.043 0.000 1.266 491 C CA -0.252 58.778 59.018 0.020 0.000 1.709 491 C CB -0.245 27.472 27.740 -0.039 0.000 1.975 491 C HN 0.386 nan 8.230 nan 0.000 0.582 492 K N 1.174 121.585 120.400 0.019 0.000 2.426 492 K HA 0.025 4.344 4.320 -0.001 0.000 0.193 492 K C 1.661 178.277 176.600 0.027 0.000 1.028 492 K CA 0.752 57.049 56.287 0.017 0.000 1.047 492 K CB 0.110 32.611 32.500 0.001 0.000 0.821 492 K HN 0.526 nan 8.250 nan 0.000 0.513 493 E N -0.858 119.368 120.200 0.044 0.000 2.132 493 E HA -0.090 4.259 4.350 -0.001 0.000 0.193 493 E C 1.415 178.049 176.600 0.058 0.000 0.951 493 E CA 0.281 56.706 56.400 0.041 0.000 0.843 493 E CB -0.006 29.720 29.700 0.044 0.000 0.807 493 E HN 0.225 nan 8.360 nan 0.000 0.467 494 Y N 2.765 123.051 120.300 -0.023 0.000 2.184 494 Y HA -0.181 4.369 4.550 -0.001 0.000 0.290 494 Y C 2.116 178.004 175.900 -0.020 0.000 1.129 494 Y CA 1.987 60.074 58.100 -0.022 0.000 1.144 494 Y CB -0.180 38.263 38.460 -0.027 0.000 0.995 494 Y HN 0.108 nan 8.280 nan 0.000 0.513 495 D N -0.311 120.255 120.400 0.276 0.000 2.149 495 D HA -0.247 4.392 4.640 -0.001 0.000 0.198 495 D C 1.659 177.981 176.300 0.038 0.000 0.990 495 D CA 1.742 55.847 54.000 0.174 0.000 0.839 495 D CB -0.344 40.520 40.800 0.108 0.000 0.948 495 D HN 0.372 nan 8.370 nan 0.000 0.460 496 E N -0.060 120.147 120.200 0.012 0.000 2.072 496 E HA -0.044 4.305 4.350 -0.001 0.000 0.191 496 E C 2.071 178.632 176.600 -0.066 0.000 0.985 496 E CA 0.184 56.572 56.400 -0.020 0.000 0.801 496 E CB -0.507 29.187 29.700 -0.011 0.000 0.750 496 E HN 0.185 nan 8.360 nan 0.000 0.452 497 L N 0.118 121.268 121.223 -0.122 0.000 2.127 497 L HA -0.115 4.224 4.340 -0.001 0.000 0.211 497 L C 2.018 178.770 176.870 -0.196 0.000 1.089 497 L CA 1.870 56.601 54.840 -0.182 0.000 0.757 497 L CB -0.847 41.035 42.059 -0.296 0.000 0.899 497 L HN 0.172 nan 8.230 nan 0.000 0.434 498 A N -1.668 121.028 122.820 -0.206 0.000 2.066 498 A HA -0.137 4.183 4.320 -0.001 0.000 0.218 498 A C 2.177 179.719 177.584 -0.069 0.000 1.157 498 A CA 1.274 53.226 52.037 -0.142 0.000 0.670 498 A CB -0.301 18.651 19.000 -0.079 0.000 0.804 498 A HN 0.533 nan 8.150 nan 0.000 0.453 499 E N -0.634 119.534 120.200 -0.054 0.000 2.102 499 E HA -0.087 4.262 4.350 -0.001 0.000 0.190 499 E C 2.092 178.671 176.600 -0.035 0.000 0.971 499 E CA 1.302 57.683 56.400 -0.032 0.000 0.821 499 E CB -0.160 29.528 29.700 -0.020 0.000 0.777 499 E HN 0.752 nan 8.360 nan 0.000 0.460 500 T N -0.340 114.187 114.554 -0.045 0.000 3.007 500 T HA -0.195 4.155 4.350 -0.001 0.000 0.270 500 T C 1.863 176.537 174.700 -0.044 0.000 1.107 500 T CA 1.073 63.149 62.100 -0.040 0.000 1.118 500 T CB -0.033 68.809 68.868 -0.043 0.000 0.889 500 T HN 0.108 nan 8.240 nan 0.000 0.506 501 Q N 1.353 121.119 119.800 -0.057 0.000 2.137 501 Q HA 0.068 4.407 4.340 -0.001 0.000 0.198 501 Q C 2.510 178.488 176.000 -0.037 0.000 0.960 501 Q CA 1.314 57.083 55.803 -0.055 0.000 0.847 501 Q CB -0.668 28.024 28.738 -0.077 0.000 0.915 501 Q HN 0.590 nan 8.270 nan 0.000 0.448 502 G N 0.664 109.445 108.800 -0.031 0.000 2.484 502 G HA2 -0.132 3.827 3.960 -0.001 0.000 0.218 502 G HA3 -0.132 3.827 3.960 -0.001 0.000 0.218 502 G C 1.432 176.323 174.900 -0.015 0.000 1.130 502 G CA 0.105 45.193 45.100 -0.019 0.000 0.784 502 G HN 0.082 nan 8.290 nan 0.000 0.543 503 K N -0.339 120.051 120.400 -0.018 0.000 2.487 503 K HA 0.218 4.537 4.320 -0.001 0.000 0.192 503 K C 1.696 178.287 176.600 -0.014 0.000 1.027 503 K CA 0.166 56.445 56.287 -0.014 0.000 1.054 503 K CB 0.258 32.749 32.500 -0.014 0.000 0.824 503 K HN 0.263 nan 8.250 nan 0.000 0.510 504 L N 0.146 121.358 121.223 -0.018 0.000 2.445 504 L HA 0.099 4.439 4.340 -0.001 0.000 0.207 504 L C 1.649 178.510 176.870 -0.015 0.000 1.053 504 L CA 1.110 55.939 54.840 -0.018 0.000 0.841 504 L CB -0.131 41.913 42.059 -0.024 0.000 1.074 504 L HN 0.045 nan 8.230 nan 0.000 0.479 505 E N -0.392 119.800 120.200 -0.015 0.000 2.338 505 E HA -0.221 4.128 4.350 -0.001 0.000 0.197 505 E C 1.660 178.257 176.600 -0.004 0.000 1.007 505 E CA 0.777 57.172 56.400 -0.010 0.000 0.849 505 E CB 0.197 29.891 29.700 -0.010 0.000 0.774 505 E HN 0.506 nan 8.360 nan 0.000 0.506 506 E N 1.669 121.866 120.200 -0.004 0.000 2.042 506 E HA -0.162 4.188 4.350 -0.001 0.000 0.189 506 E C 2.081 178.682 176.600 0.002 0.000 0.974 506 E CA 0.672 57.072 56.400 0.000 0.000 0.806 506 E CB 0.124 29.823 29.700 -0.001 0.000 0.769 506 E HN -0.014 nan 8.360 nan 0.000 0.451 507 K N 0.413 120.812 120.400 -0.002 0.000 2.063 507 K HA -0.201 4.119 4.320 -0.001 0.000 0.208 507 K C 2.295 178.893 176.600 -0.004 0.000 1.048 507 K CA 1.273 57.558 56.287 -0.003 0.000 0.928 507 K CB -0.187 32.307 32.500 -0.009 0.000 0.713 507 K HN 0.139 nan 8.250 nan 0.000 0.442 508 L N 1.706 122.925 121.223 -0.007 0.000 1.943 508 L HA -0.234 4.105 4.340 -0.001 0.000 0.215 508 L C 2.488 179.363 176.870 0.009 0.000 1.074 508 L CA 1.975 56.811 54.840 -0.008 0.000 0.759 508 L CB -0.848 41.206 42.059 -0.009 0.000 0.888 508 L HN 0.306 nan 8.230 nan 0.000 0.433 509 Q N -0.879 118.929 119.800 0.012 0.000 2.268 509 Q HA -0.301 4.038 4.340 -0.001 0.000 0.210 509 Q C 2.093 178.114 176.000 0.034 0.000 0.988 509 Q CA 2.173 57.989 55.803 0.022 0.000 0.883 509 Q CB -0.158 28.590 28.738 0.016 0.000 0.911 509 Q HN 0.712 nan 8.270 nan 0.000 0.430 510 E N -0.448 119.771 120.200 0.031 0.000 2.001 510 E HA -0.221 4.128 4.350 -0.001 0.000 0.193 510 E C 1.828 178.472 176.600 0.074 0.000 0.994 510 E CA 0.940 57.366 56.400 0.043 0.000 0.815 510 E CB -0.198 29.522 29.700 0.033 0.000 0.770 510 E HN 0.289 nan 8.360 nan 0.000 0.453 511 L N 1.849 123.113 121.223 0.068 0.000 2.058 511 L HA -0.275 4.064 4.340 -0.001 0.000 0.226 511 L C 2.078 179.090 176.870 0.238 0.000 1.089 511 L CA 2.516 57.420 54.840 0.107 0.000 0.799 511 L CB -0.963 41.063 42.059 -0.055 0.000 0.900 511 L HN 0.480 nan 8.230 nan 0.000 0.442 512 E N -1.979 118.312 120.200 0.151 0.000 2.320 512 E HA 0.223 4.573 4.350 -0.001 0.000 0.189 512 E C 1.057 177.732 176.600 0.125 0.000 1.100 512 E CA 0.572 57.083 56.400 0.185 0.000 1.009 512 E CB 0.014 29.786 29.700 0.120 0.000 1.145 512 E HN 0.437 nan 8.360 nan 0.000 0.454 513 A N 1.047 123.932 122.820 0.109 0.000 2.427 513 A HA 0.201 4.521 4.320 -0.001 0.000 0.225 513 A C 0.488 178.105 177.584 0.055 0.000 1.257 513 A CA -0.374 51.703 52.037 0.066 0.000 0.985 513 A CB 0.323 19.352 19.000 0.050 0.000 1.136 513 A HN 0.098 nan 8.150 nan 0.000 0.538 514 N N 1.029 119.778 118.700 0.080 0.000 2.644 514 N HA 0.331 5.070 4.740 -0.001 0.000 0.313 514 N C -3.168 172.313 175.510 -0.049 0.000 1.863 514 N CA -1.031 52.042 53.050 0.038 0.000 0.918 514 N CB 0.821 39.344 38.487 0.061 0.000 1.320 514 N HN 0.211 nan 8.380 nan 0.000 0.490 515 P HA 0.281 nan 4.420 nan 0.000 0.274 515 P C -2.308 174.753 177.300 -0.398 0.000 1.231 515 P CA -0.849 61.951 63.100 -0.501 0.000 0.790 515 P CB 0.371 31.970 31.700 -0.167 0.000 0.951 516 P HA 0.207 nan 4.420 nan 0.000 0.279 516 P C -0.498 176.686 177.300 -0.194 0.000 1.282 516 P CA -0.493 62.441 63.100 -0.276 0.000 0.788 516 P CB 0.301 31.831 31.700 -0.284 0.000 1.139 517 S N 0.111 115.736 115.700 -0.126 0.000 2.558 517 S HA -0.061 4.408 4.470 -0.001 0.000 0.287 517 S C 0.994 175.542 174.600 -0.086 0.000 1.321 517 S CA 0.184 58.338 58.200 -0.076 0.000 1.048 517 S CB -0.003 63.179 63.200 -0.030 0.000 0.844 517 S HN 0.577 nan 8.310 nan 0.000 0.512 518 D N 0.867 121.242 120.400 -0.042 0.000 2.213 518 D HA 0.002 4.642 4.640 -0.001 0.000 0.205 518 D C 0.442 176.739 176.300 -0.005 0.000 0.961 518 D CA 0.684 54.672 54.000 -0.019 0.000 0.853 518 D CB 0.240 41.056 40.800 0.027 0.000 0.967 518 D HN 0.422 nan 8.370 nan 0.000 0.496 519 V N -2.788 117.134 119.914 0.015 0.000 3.188 519 V HA 0.331 4.451 4.120 -0.001 0.000 0.305 519 V C 0.395 176.549 176.094 0.099 0.000 1.232 519 V CA -1.038 61.294 62.300 0.052 0.000 1.043 519 V CB 1.079 32.932 31.823 0.050 0.000 1.068 519 V HN -0.012 nan 8.190 nan 0.000 0.439 520 Y N 2.771 123.073 120.300 0.003 0.000 2.153 520 Y HA 0.390 4.940 4.550 -0.001 0.000 0.289 520 Y C 0.499 176.412 175.900 0.022 0.000 1.127 520 Y CA 1.209 59.319 58.100 0.016 0.000 1.131 520 Y CB 0.186 38.665 38.460 0.033 0.000 0.995 520 Y HN 0.536 nan 8.280 nan 0.000 0.505 521 L N 1.134 122.307 121.223 -0.084 0.000 2.381 521 L HA 0.341 4.680 4.340 -0.001 0.000 0.274 521 L C 0.113 176.958 176.870 -0.043 0.000 0.988 521 L CA -0.900 53.832 54.840 -0.179 0.000 0.824 521 L CB 1.823 43.768 42.059 -0.190 0.000 1.263 521 L HN 0.079 nan 8.230 nan 0.000 0.410 522 S N 0.757 116.429 115.700 -0.048 0.000 2.608 522 S HA 0.094 4.564 4.470 -0.001 0.000 0.261 522 S C 1.275 175.874 174.600 -0.003 0.000 1.314 522 S CA 0.079 58.271 58.200 -0.013 0.000 0.992 522 S CB 1.547 64.737 63.200 -0.017 0.000 0.935 522 S HN 0.631 nan 8.310 nan 0.000 0.564 523 S N 0.789 116.496 115.700 0.011 0.000 2.365 523 S HA -0.172 4.298 4.470 -0.001 0.000 0.225 523 S C 2.085 176.692 174.600 0.013 0.000 1.039 523 S CA 1.592 59.803 58.200 0.019 0.000 1.033 523 S CB -0.564 62.649 63.200 0.022 0.000 0.887 523 S HN 0.754 nan 8.310 nan 0.000 0.447 524 R N 0.521 121.023 120.500 0.003 0.000 2.075 524 R HA -0.018 4.321 4.340 -0.001 0.000 0.232 524 R C 2.013 178.307 176.300 -0.011 0.000 1.126 524 R CA 1.505 57.603 56.100 -0.003 0.000 0.963 524 R CB -0.377 29.917 30.300 -0.010 0.000 0.858 524 R HN 0.414 nan 8.270 nan 0.000 0.435 525 D N 0.331 120.716 120.400 -0.025 0.000 2.149 525 D HA -0.186 4.453 4.640 -0.001 0.000 0.198 525 D C 1.885 178.167 176.300 -0.031 0.000 0.990 525 D CA 1.179 55.152 54.000 -0.045 0.000 0.839 525 D CB -0.118 40.631 40.800 -0.085 0.000 0.948 525 D HN 0.052 nan 8.370 nan 0.000 0.460 526 R N 1.061 121.556 120.500 -0.009 0.000 2.092 526 R HA -0.079 4.261 4.340 -0.001 0.000 0.231 526 R C 2.077 178.408 176.300 0.052 0.000 1.119 526 R CA 1.292 57.410 56.100 0.030 0.000 0.970 526 R CB -0.266 30.068 30.300 0.056 0.000 0.864 526 R HN 0.184 nan 8.270 nan 0.000 0.440 527 Q N -0.298 119.526 119.800 0.039 0.000 2.119 527 Q HA -0.070 4.269 4.340 -0.001 0.000 0.201 527 Q C 2.065 178.098 176.000 0.056 0.000 0.972 527 Q CA 1.729 57.560 55.803 0.047 0.000 0.847 527 Q CB -0.070 28.685 28.738 0.027 0.000 0.903 527 Q HN 0.405 nan 8.270 nan 0.000 0.433 528 I N 0.124 120.716 120.570 0.036 0.000 2.353 528 I HA -0.229 3.940 4.170 -0.001 0.000 0.248 528 I C 2.113 178.300 176.117 0.117 0.000 1.119 528 I CA 0.430 61.761 61.300 0.051 0.000 1.417 528 I CB -0.098 37.906 38.000 0.007 0.000 1.078 528 I HN 0.213 nan 8.210 nan 0.000 0.421 529 L N 0.765 122.018 121.223 0.051 0.000 2.083 529 L HA -0.212 4.127 4.340 -0.001 0.000 0.209 529 L C 1.902 178.659 176.870 -0.187 0.000 1.083 529 L CA 1.967 56.775 54.840 -0.055 0.000 0.752 529 L CB -0.760 41.236 42.059 -0.104 0.000 0.899 529 L HN 0.163 nan 8.230 nan 0.000 0.433 530 D N -1.481 118.929 120.400 0.016 0.000 2.263 530 D HA -0.251 4.388 4.640 -0.001 0.000 0.208 530 D C 1.763 178.077 176.300 0.022 0.000 0.971 530 D CA 1.051 55.124 54.000 0.122 0.000 0.867 530 D CB -0.231 40.655 40.800 0.143 0.000 0.929 530 D HN 0.607 nan 8.370 nan 0.000 0.492 531 W N 1.034 122.243 121.300 -0.151 0.000 2.388 531 W HA -0.134 4.525 4.660 -0.001 0.000 0.294 531 W C 2.272 178.583 176.519 -0.346 0.000 1.212 531 W CA 1.188 58.412 57.345 -0.201 0.000 1.271 531 W CB -0.159 29.159 29.460 -0.236 0.000 1.126 531 W HN 0.077 nan 8.180 nan 0.000 0.535 532 H N -1.068 117.877 119.070 -0.209 0.000 2.395 532 H HA -0.099 4.456 4.556 -0.001 0.000 0.299 532 H C 1.980 176.916 175.328 -0.654 0.000 1.070 532 H CA 1.749 57.383 56.048 -0.690 0.000 1.356 532 H CB -0.732 28.314 29.762 -1.194 0.000 1.401 532 H HN 0.150 nan 8.280 nan 0.000 0.524 533 F N 1.061 120.903 119.950 -0.179 0.000 2.186 533 F HA -0.038 4.488 4.527 -0.001 0.000 0.299 533 F C 2.772 178.401 175.800 -0.286 0.000 1.090 533 F CA 0.692 58.646 58.000 -0.077 0.000 1.307 533 F CB -0.946 38.053 39.000 -0.003 0.000 1.019 533 F HN 0.098 nan 8.300 nan 0.000 0.489 534 A N 0.031 122.676 122.820 -0.293 0.000 1.902 534 A HA -0.249 4.070 4.320 -0.001 0.000 0.217 534 A C 2.104 179.109 177.584 -0.964 0.000 1.181 534 A CA 2.014 53.650 52.037 -0.669 0.000 0.623 534 A CB -1.050 17.423 19.000 -0.878 0.000 0.818 534 A HN 0.396 nan 8.150 nan 0.000 0.443 535 N N -0.188 117.951 118.700 -0.936 0.000 2.166 535 N HA -0.069 4.670 4.740 -0.001 0.000 0.186 535 N C 1.564 176.990 175.510 -0.140 0.000 1.019 535 N CA 1.259 53.961 53.050 -0.579 0.000 0.856 535 N CB -0.309 37.769 38.487 -0.681 0.000 0.993 535 N HN 0.462 nan 8.380 nan 0.000 0.426 536 L N 0.425 121.597 121.223 -0.084 0.000 2.093 536 L HA -0.076 4.263 4.340 -0.001 0.000 0.208 536 L C 1.754 178.634 176.870 0.017 0.000 1.085 536 L CA 1.236 56.133 54.840 0.095 0.000 0.755 536 L CB -0.288 41.895 42.059 0.205 0.000 0.904 536 L HN 0.345 nan 8.230 nan 0.000 0.435 537 E N -0.811 119.332 120.200 -0.096 0.000 2.150 537 E HA -0.250 4.100 4.350 -0.001 0.000 0.193 537 E C 1.889 178.442 176.600 -0.078 0.000 0.985 537 E CA 1.054 57.373 56.400 -0.136 0.000 0.814 537 E CB -0.070 29.509 29.700 -0.200 0.000 0.752 537 E HN 0.367 nan 8.360 nan 0.000 0.466 538 F N 1.735 121.551 119.950 -0.223 0.000 2.060 538 F HA -0.122 4.405 4.527 -0.001 0.000 0.295 538 F C 2.321 178.166 175.800 0.074 0.000 1.120 538 F CA 1.482 59.431 58.000 -0.085 0.000 1.205 538 F CB -0.547 38.462 39.000 0.015 0.000 0.986 538 F HN -0.066 nan 8.300 nan 0.000 0.470 539 A N 0.171 123.097 122.820 0.177 0.000 1.978 539 A HA -0.223 4.096 4.320 -0.001 0.000 0.220 539 A C 1.901 179.601 177.584 0.193 0.000 1.170 539 A CA 1.991 54.130 52.037 0.171 0.000 0.636 539 A CB -0.873 18.293 19.000 0.278 0.000 0.810 539 A HN 0.592 nan 8.150 nan 0.000 0.448 540 N N -0.896 117.890 118.700 0.144 0.000 2.336 540 N HA 0.226 4.965 4.740 -0.001 0.000 0.189 540 N C 0.758 176.266 175.510 -0.005 0.000 1.113 540 N CA 0.818 53.972 53.050 0.174 0.000 0.858 540 N CB 0.212 38.788 38.487 0.148 0.000 0.970 540 N HN 0.589 nan 8.380 nan 0.000 0.471 541 A N 0.542 123.243 122.820 -0.198 0.000 2.832 541 A HA -0.179 4.141 4.320 -0.001 0.000 0.280 541 A C 0.428 177.778 177.584 -0.390 0.000 1.464 541 A CA 1.649 53.418 52.037 -0.447 0.000 0.804 541 A CB -2.026 16.370 19.000 -1.007 0.000 1.020 541 A HN 0.357 nan 8.150 nan 0.000 0.563 542 T N -2.175 112.161 114.554 -0.363 0.000 2.827 542 T HA 0.549 4.899 4.350 -0.001 0.000 0.328 542 T C -3.349 171.137 174.700 -0.357 0.000 1.598 542 T CA -0.546 61.280 62.100 -0.457 0.000 1.043 542 T CB 1.412 69.667 68.868 -1.022 0.000 1.447 542 T HN 0.007 nan 8.240 nan 0.000 0.491 543 P HA 0.202 nan 4.420 nan 0.000 0.269 543 P C 0.700 177.847 177.300 -0.255 0.000 1.209 543 P CA -0.405 62.559 63.100 -0.226 0.000 0.776 543 P CB 0.419 32.020 31.700 -0.165 0.000 0.876 544 L N 2.558 123.634 121.223 -0.245 0.000 2.127 544 L HA -0.183 4.157 4.340 -0.001 0.000 0.211 544 L C 2.073 178.805 176.870 -0.230 0.000 1.089 544 L CA 2.077 56.750 54.840 -0.278 0.000 0.757 544 L CB -1.796 40.063 42.059 -0.333 0.000 0.899 544 L HN 0.398 nan 8.230 nan 0.000 0.434 545 S N -2.550 113.039 115.700 -0.184 0.000 2.595 545 S HA -0.095 4.374 4.470 -0.001 0.000 0.235 545 S C 1.640 176.195 174.600 -0.076 0.000 0.974 545 S CA 0.959 59.083 58.200 -0.127 0.000 0.942 545 S CB -0.792 62.346 63.200 -0.104 0.000 0.766 545 S HN 0.606 nan 8.310 nan 0.000 0.536 546 T N -1.161 113.339 114.554 -0.090 0.000 3.001 546 T HA 0.409 4.759 4.350 -0.001 0.000 0.251 546 T C 0.398 175.164 174.700 0.110 0.000 1.040 546 T CA -0.484 61.623 62.100 0.012 0.000 0.985 546 T CB -0.371 68.492 68.868 -0.007 0.000 1.011 546 T HN 0.303 nan 8.240 nan 0.000 0.509 547 L N 2.575 123.802 121.223 0.007 0.000 2.371 547 L HA 0.421 4.761 4.340 -0.001 0.000 0.272 547 L C 0.738 177.704 176.870 0.161 0.000 1.124 547 L CA -0.749 54.169 54.840 0.130 0.000 0.816 547 L CB 1.182 43.240 42.059 -0.002 0.000 1.129 547 L HN 0.165 nan 8.230 nan 0.000 0.448 548 S N 2.146 118.019 115.700 0.289 0.000 2.498 548 S HA 0.035 4.505 4.470 -0.001 0.000 0.281 548 S C 0.890 175.672 174.600 0.303 0.000 1.265 548 S CA -0.700 57.658 58.200 0.263 0.000 1.071 548 S CB 0.527 63.924 63.200 0.328 0.000 0.894 548 S HN 0.531 nan 8.310 nan 0.000 0.491 549 L N 6.033 127.358 121.223 0.170 0.000 2.046 549 L HA 0.032 4.371 4.340 -0.001 0.000 0.208 549 L C 2.264 179.257 176.870 0.206 0.000 1.077 549 L CA 2.050 56.993 54.840 0.172 0.000 0.747 549 L CB -0.724 41.357 42.059 0.037 0.000 0.896 549 L HN 0.834 nan 8.230 nan 0.000 0.432 550 K N -2.163 118.235 120.400 -0.004 0.000 2.167 550 K HA -0.110 4.209 4.320 -0.001 0.000 0.203 550 K C 1.345 177.823 176.600 -0.202 0.000 1.052 550 K CA 1.261 57.401 56.287 -0.246 0.000 0.956 550 K CB -0.028 32.165 32.500 -0.512 0.000 0.735 550 K HN 0.546 nan 8.250 nan 0.000 0.451 551 H N -1.266 117.935 119.070 0.219 0.000 2.893 551 H HA -0.005 4.550 4.556 -0.001 0.000 0.270 551 H C 1.396 176.805 175.328 0.136 0.000 1.095 551 H CA 0.152 56.293 56.048 0.154 0.000 1.186 551 H CB -0.015 29.834 29.762 0.145 0.000 1.562 551 H HN 0.419 nan 8.280 nan 0.000 0.536 552 W N 3.017 124.451 121.300 0.224 0.000 2.325 552 W HA -0.159 4.500 4.660 -0.001 0.000 0.299 552 W C -0.027 176.603 176.519 0.185 0.000 1.215 552 W CA 1.372 58.840 57.345 0.207 0.000 1.244 552 W CB -0.684 28.869 29.460 0.155 0.000 1.140 552 W HN 0.132 nan 8.180 nan 0.000 0.523 553 D N 0.575 120.370 120.400 -1.009 0.000 2.615 553 D HA -0.057 4.583 4.640 -0.001 0.000 0.236 553 D C 1.795 177.853 176.300 -0.403 0.000 1.233 553 D CA -0.132 53.310 54.000 -0.930 0.000 0.829 553 D CB -0.364 39.488 40.800 -1.580 0.000 1.024 553 D HN 0.166 nan 8.370 nan 0.000 0.490 554 Q N 1.526 121.229 119.800 -0.162 0.000 2.297 554 Q HA -0.183 4.156 4.340 -0.001 0.000 0.208 554 Q C 0.339 176.325 176.000 -0.023 0.000 0.981 554 Q CA 1.522 57.310 55.803 -0.024 0.000 0.876 554 Q CB 0.076 28.881 28.738 0.112 0.000 0.921 554 Q HN 0.545 nan 8.270 nan 0.000 0.446 555 D N -1.603 118.764 120.400 -0.056 0.000 2.369 555 D HA -0.038 4.602 4.640 -0.001 0.000 0.211 555 D C 0.662 176.927 176.300 -0.059 0.000 1.077 555 D CA -0.105 53.904 54.000 0.016 0.000 0.842 555 D CB -0.083 40.668 40.800 -0.082 0.000 0.947 555 D HN 0.021 nan 8.370 nan 0.000 0.509 556 D N 1.698 121.998 120.400 -0.166 0.000 2.149 556 D HA -0.204 4.435 4.640 -0.001 0.000 0.194 556 D C 1.289 177.435 176.300 -0.256 0.000 1.001 556 D CA 1.205 55.091 54.000 -0.189 0.000 0.849 556 D CB -0.335 40.338 40.800 -0.211 0.000 0.939 556 D HN 0.207 nan 8.370 nan 0.000 0.449 557 D N -1.648 118.497 120.400 -0.426 0.000 2.384 557 D HA -0.119 4.520 4.640 -0.001 0.000 0.222 557 D C 0.726 176.530 176.300 -0.828 0.000 0.976 557 D CA 0.500 54.116 54.000 -0.641 0.000 0.915 557 D CB -0.061 40.245 40.800 -0.824 0.000 0.896 557 D HN 0.207 nan 8.370 nan 0.000 0.523 558 F N 0.196 120.031 119.950 -0.191 0.000 2.661 558 F HA 0.305 4.832 4.527 -0.001 0.000 0.306 558 F C 0.844 176.499 175.800 -0.242 0.000 1.094 558 F CA -0.504 57.364 58.000 -0.219 0.000 1.254 558 F CB -0.172 38.533 39.000 -0.491 0.000 1.040 558 F HN -0.268 nan 8.300 nan 0.000 0.562 559 E N 0.908 121.030 120.200 -0.129 0.000 2.481 559 E HA 0.019 4.369 4.350 -0.001 0.000 0.263 559 E C -0.417 176.135 176.600 -0.081 0.000 0.992 559 E CA 0.048 56.347 56.400 -0.169 0.000 0.938 559 E CB 0.528 30.206 29.700 -0.037 0.000 0.933 559 E HN -0.027 nan 8.360 nan 0.000 0.453 560 F N 0.531 120.539 119.950 0.097 0.000 2.375 560 F HA 0.160 4.687 4.527 -0.001 0.000 0.313 560 F C 1.235 177.113 175.800 0.131 0.000 1.176 560 F CA -0.815 57.227 58.000 0.070 0.000 1.142 560 F CB 0.458 39.440 39.000 -0.029 0.000 1.275 560 F HN 0.271 nan 8.300 nan 0.000 0.544 561 T N -1.163 113.630 114.554 0.398 0.000 2.929 561 T HA 0.783 5.132 4.350 -0.001 0.000 0.284 561 T C -0.066 174.771 174.700 0.227 0.000 1.014 561 T CA -0.152 62.118 62.100 0.283 0.000 1.051 561 T CB 1.335 70.372 68.868 0.281 0.000 1.028 561 T HN 1.382 nan 8.240 nan 0.000 0.485 562 G N 0.944 109.848 108.800 0.173 0.000 2.515 562 G HA2 0.194 4.153 3.960 -0.001 0.000 0.686 562 G HA3 0.194 4.153 3.960 -0.001 0.000 0.686 562 G C -0.476 174.526 174.900 0.169 0.000 1.274 562 G CA -0.643 44.541 45.100 0.140 0.000 0.874 562 G HN 0.948 nan 8.290 nan 0.000 0.631 563 S N 0.199 115.976 115.700 0.128 0.000 2.585 563 S HA 0.397 4.867 4.470 -0.001 0.000 0.273 563 S C 0.483 175.227 174.600 0.240 0.000 1.339 563 S CA -0.259 58.019 58.200 0.131 0.000 1.028 563 S CB 0.354 63.598 63.200 0.074 0.000 0.906 563 S HN 0.555 nan 8.310 nan 0.000 0.528 564 H N 0.855 119.957 119.070 0.052 0.000 2.652 564 H HA 0.371 4.926 4.556 -0.001 0.000 0.349 564 H C -0.385 174.951 175.328 0.013 0.000 1.099 564 H CA -0.441 55.636 56.048 0.049 0.000 1.417 564 H CB 0.456 30.250 29.762 0.054 0.000 1.457 564 H HN 0.286 nan 8.280 nan 0.000 0.568 565 L N 1.417 122.700 121.223 0.100 0.000 2.323 565 L HA 0.414 4.754 4.340 -0.001 0.000 0.265 565 L C 0.401 177.264 176.870 -0.011 0.000 1.012 565 L CA -0.757 54.099 54.840 0.027 0.000 0.820 565 L CB 2.191 44.249 42.059 -0.000 0.000 1.334 565 L HN 0.489 nan 8.230 nan 0.000 0.427 566 T N 0.047 114.580 114.554 -0.035 0.000 2.950 566 T HA 0.593 4.943 4.350 -0.001 0.000 0.288 566 T C -0.887 173.779 174.700 -0.057 0.000 1.035 566 T CA -0.427 61.646 62.100 -0.045 0.000 1.028 566 T CB 1.648 70.477 68.868 -0.064 0.000 1.109 566 T HN 0.263 nan 8.240 nan 0.000 0.514 567 V N 6.076 125.954 119.914 -0.060 0.000 2.304 567 V HA 0.317 4.437 4.120 -0.001 0.000 0.269 567 V C 1.558 177.653 176.094 0.001 0.000 1.036 567 V CA -0.492 61.755 62.300 -0.088 0.000 0.840 567 V CB 0.727 32.425 31.823 -0.208 0.000 1.036 567 V HN 0.868 nan 8.190 nan 0.000 0.466 568 R N 3.154 123.657 120.500 0.005 0.000 2.112 568 R HA -0.168 4.171 4.340 -0.001 0.000 0.242 568 R C 1.456 177.790 176.300 0.056 0.000 1.137 568 R CA 1.939 58.062 56.100 0.039 0.000 0.944 568 R CB -0.176 30.140 30.300 0.028 0.000 0.857 568 R HN 0.867 nan 8.270 nan 0.000 0.435 569 N N 0.288 119.010 118.700 0.037 0.000 2.362 569 N HA 0.058 4.798 4.740 -0.001 0.000 0.204 569 N C 0.118 175.668 175.510 0.067 0.000 1.166 569 N CA 0.811 53.888 53.050 0.046 0.000 0.831 569 N CB 0.566 39.068 38.487 0.025 0.000 1.008 569 N HN 0.321 nan 8.380 nan 0.000 0.472 570 G N 0.165 109.021 108.800 0.092 0.000 3.172 570 G HA2 -0.267 3.693 3.960 -0.001 0.000 0.686 570 G HA3 -0.267 3.693 3.960 -0.001 0.000 0.686 570 G C -0.217 174.786 174.900 0.173 0.000 1.009 570 G CA -0.350 44.836 45.100 0.145 0.000 0.787 570 G HN 0.314 nan 8.290 nan 0.000 0.559 571 Y N 1.585 121.944 120.300 0.099 0.000 2.497 571 Y HA -0.128 4.422 4.550 -0.001 0.000 0.292 571 Y C 2.963 178.910 175.900 0.078 0.000 1.137 571 Y CA 1.629 59.780 58.100 0.086 0.000 1.285 571 Y CB 0.224 38.742 38.460 0.095 0.000 0.991 571 Y HN 0.930 nan 8.280 nan 0.000 0.556 572 S N -0.761 115.099 115.700 0.267 0.000 2.465 572 S HA -0.262 4.207 4.470 -0.001 0.000 0.241 572 S C 2.022 176.709 174.600 0.145 0.000 1.000 572 S CA 0.953 59.258 58.200 0.175 0.000 0.964 572 S CB -1.691 61.590 63.200 0.135 0.000 0.763 572 S HN 0.689 nan 8.310 nan 0.000 0.512 573 C N 0.390 119.776 119.300 0.143 0.000 2.410 573 C HA 0.028 4.488 4.460 -0.001 0.000 0.281 573 C C 2.289 177.341 174.990 0.104 0.000 1.318 573 C CA 0.252 59.327 59.018 0.096 0.000 1.776 573 C CB -1.820 25.959 27.740 0.066 0.000 1.942 573 C HN 0.417 nan 8.230 nan 0.000 0.508 574 V N 3.080 123.095 119.914 0.169 0.000 2.239 574 V HA -0.073 4.046 4.120 -0.001 0.000 0.242 574 V C 0.660 176.817 176.094 0.106 0.000 1.038 574 V CA 2.635 65.031 62.300 0.161 0.000 1.002 574 V CB -1.694 30.297 31.823 0.279 0.000 0.641 574 V HN 0.356 nan 8.190 nan 0.000 0.449 575 P HA -0.110 nan 4.420 nan 0.000 0.216 575 P C 1.895 179.218 177.300 0.037 0.000 1.150 575 P CA 1.452 64.582 63.100 0.051 0.000 0.837 575 P CB -0.094 31.630 31.700 0.039 0.000 0.786 576 V N 0.984 120.926 119.914 0.046 0.000 2.332 576 V HA -0.237 3.882 4.120 -0.001 0.000 0.248 576 V C 2.864 178.968 176.094 0.016 0.000 1.055 576 V CA 2.381 64.698 62.300 0.028 0.000 1.038 576 V CB -1.687 30.157 31.823 0.034 0.000 0.651 576 V HN 0.125 nan 8.190 nan 0.000 0.450 577 A N -0.701 122.134 122.820 0.024 0.000 1.968 577 A HA -0.054 4.265 4.320 -0.001 0.000 0.217 577 A C 2.161 179.744 177.584 -0.002 0.000 1.169 577 A CA 1.297 53.339 52.037 0.010 0.000 0.638 577 A CB -0.423 18.587 19.000 0.018 0.000 0.812 577 A HN 0.511 nan 8.150 nan 0.000 0.446 578 L N -0.921 120.308 121.223 0.010 0.000 2.217 578 L HA -0.109 4.230 4.340 -0.001 0.000 0.211 578 L C 2.851 179.706 176.870 -0.025 0.000 1.107 578 L CA 0.771 55.610 54.840 -0.002 0.000 0.783 578 L CB -0.316 41.754 42.059 0.018 0.000 0.919 578 L HN 0.430 nan 8.230 nan 0.000 0.442 579 A N -0.806 122.001 122.820 -0.022 0.000 2.119 579 A HA -0.125 4.195 4.320 -0.001 0.000 0.216 579 A C 1.165 178.723 177.584 -0.043 0.000 1.152 579 A CA 0.030 52.046 52.037 -0.035 0.000 0.708 579 A CB -0.374 18.610 19.000 -0.028 0.000 0.805 579 A HN 0.376 nan 8.150 nan 0.000 0.460 580 E N 0.051 120.227 120.200 -0.041 0.000 2.729 580 E HA 0.152 4.501 4.350 -0.001 0.000 0.246 580 E C 1.153 177.717 176.600 -0.060 0.000 0.984 580 E CA 0.694 57.066 56.400 -0.047 0.000 0.951 580 E CB -0.294 29.377 29.700 -0.048 0.000 0.914 580 E HN 0.751 nan 8.360 nan 0.000 0.509 581 G N 3.760 112.528 108.800 -0.054 0.000 2.159 581 G HA2 -0.274 3.685 3.960 -0.001 0.000 0.256 581 G HA3 -0.274 3.685 3.960 -0.001 0.000 0.256 581 G C 0.171 175.034 174.900 -0.062 0.000 0.977 581 G CA 0.318 45.384 45.100 -0.058 0.000 0.652 581 G HN 0.475 nan 8.290 nan 0.000 0.531 582 L N 0.243 121.427 121.223 -0.065 0.000 2.375 582 L HA 0.528 4.868 4.340 -0.001 0.000 0.268 582 L C 0.171 176.999 176.870 -0.071 0.000 1.058 582 L CA -0.888 53.909 54.840 -0.072 0.000 0.803 582 L CB 1.197 43.209 42.059 -0.078 0.000 1.212 582 L HN 0.101 nan 8.230 nan 0.000 0.451 583 D N 2.509 122.862 120.400 -0.077 0.000 2.453 583 D HA 0.327 4.967 4.640 -0.001 0.000 0.223 583 D C -0.626 175.611 176.300 -0.105 0.000 1.183 583 D CA 0.014 53.966 54.000 -0.081 0.000 0.933 583 D CB 0.057 40.812 40.800 -0.075 0.000 1.038 583 D HN 0.205 nan 8.370 nan 0.000 0.513 584 I N 3.423 123.933 120.570 -0.100 0.000 2.354 584 I HA 0.259 4.429 4.170 -0.001 0.000 0.292 584 I C 0.351 176.390 176.117 -0.131 0.000 0.989 584 I CA -0.841 60.388 61.300 -0.118 0.000 1.188 584 I CB 1.514 39.457 38.000 -0.096 0.000 1.342 584 I HN 0.014 nan 8.210 nan 0.000 0.457 585 K N 7.345 127.638 120.400 -0.178 0.000 2.347 585 K HA 0.504 4.824 4.320 -0.001 0.000 0.262 585 K C -0.600 175.889 176.600 -0.185 0.000 1.052 585 K CA -0.428 55.742 56.287 -0.195 0.000 0.946 585 K CB 1.047 33.381 32.500 -0.276 0.000 1.220 585 K HN 0.480 nan 8.250 nan 0.000 0.450 586 L N 1.815 122.954 121.223 -0.139 0.000 2.479 586 L HA 0.126 4.465 4.340 -0.001 0.000 0.248 586 L C 0.529 177.326 176.870 -0.122 0.000 1.205 586 L CA -0.289 54.473 54.840 -0.129 0.000 0.817 586 L CB 0.089 42.094 42.059 -0.089 0.000 1.162 586 L HN 0.748 nan 8.230 nan 0.000 0.486 587 N N -1.267 117.356 118.700 -0.129 0.000 2.710 587 N HA -0.176 4.564 4.740 -0.001 0.000 0.249 587 N C -0.932 174.537 175.510 -0.068 0.000 1.059 587 N CA 0.707 53.702 53.050 -0.093 0.000 0.720 587 N CB -1.129 37.348 38.487 -0.017 0.000 0.983 587 N HN 0.571 nan 8.380 nan 0.000 0.544 588 T N -0.037 114.434 114.554 -0.138 0.000 2.934 588 T HA 0.593 4.942 4.350 -0.001 0.000 0.328 588 T C -0.019 174.601 174.700 -0.133 0.000 1.068 588 T CA -0.456 61.592 62.100 -0.087 0.000 1.018 588 T CB 1.309 70.070 68.868 -0.177 0.000 1.009 588 T HN 0.323 nan 8.240 nan 0.000 0.471 589 A N 3.787 126.567 122.820 -0.067 0.000 2.316 589 A HA 0.622 4.942 4.320 -0.001 0.000 0.311 589 A C 0.506 178.111 177.584 0.036 0.000 1.339 589 A CA -0.514 51.478 52.037 -0.076 0.000 0.960 589 A CB 0.043 19.059 19.000 0.027 0.000 1.152 589 A HN 0.680 nan 8.150 nan 0.000 0.547 590 V N 3.112 123.027 119.914 0.001 0.000 2.763 590 V HA 0.082 4.202 4.120 -0.001 0.000 0.306 590 V C 1.336 177.449 176.094 0.031 0.000 1.059 590 V CA 0.811 63.122 62.300 0.018 0.000 1.138 590 V CB 0.869 32.674 31.823 -0.029 0.000 0.940 590 V HN 1.038 nan 8.190 nan 0.000 0.489 591 R N 1.068 121.578 120.500 0.016 0.000 2.568 591 R HA 0.274 4.613 4.340 -0.001 0.000 0.254 591 R C 0.180 176.441 176.300 -0.064 0.000 0.925 591 R CA 0.103 56.203 56.100 -0.001 0.000 1.025 591 R CB 0.583 30.903 30.300 0.033 0.000 1.428 591 R HN 0.814 nan 8.270 nan 0.000 0.573 592 Q N 0.085 119.837 119.800 -0.080 0.000 2.320 592 Q HA 0.442 4.782 4.340 -0.001 0.000 0.272 592 Q C -1.750 174.176 176.000 -0.123 0.000 1.023 592 Q CA -0.657 55.071 55.803 -0.124 0.000 0.855 592 Q CB 2.389 31.096 28.738 -0.052 0.000 1.367 592 Q HN -0.065 nan 8.270 nan 0.000 0.406 593 V N 4.232 124.026 119.914 -0.199 0.000 2.407 593 V HA 0.551 4.670 4.120 -0.001 0.000 0.291 593 V C -0.730 175.452 176.094 0.147 0.000 1.018 593 V CA -0.576 61.692 62.300 -0.053 0.000 0.842 593 V CB 1.532 33.267 31.823 -0.148 0.000 0.996 593 V HN 0.694 nan 8.190 nan 0.000 0.426 594 R N 4.894 125.490 120.500 0.160 0.000 2.387 594 R HA 0.706 5.046 4.340 -0.001 0.000 0.314 594 R C -1.469 174.961 176.300 0.217 0.000 0.958 594 R CA -0.661 55.515 56.100 0.127 0.000 0.846 594 R CB 1.762 32.086 30.300 0.039 0.000 1.147 594 R HN 0.763 nan 8.270 nan 0.000 0.447 595 Y N -1.231 119.113 120.300 0.073 0.000 2.457 595 Y HA 0.687 5.236 4.550 -0.001 0.000 0.343 595 Y C -0.578 175.361 175.900 0.065 0.000 0.994 595 Y CA -1.215 56.929 58.100 0.074 0.000 1.031 595 Y CB 1.609 40.121 38.460 0.086 0.000 1.246 595 Y HN 0.656 nan 8.280 nan 0.000 0.449 596 T N -1.575 113.030 114.554 0.086 0.000 2.838 596 T HA 0.690 5.039 4.350 -0.001 0.000 0.292 596 T C 0.648 175.408 174.700 0.099 0.000 1.113 596 T CA -0.589 61.530 62.100 0.032 0.000 1.008 596 T CB 1.460 70.332 68.868 0.007 0.000 1.259 596 T HN 1.100 nan 8.240 nan 0.000 0.520 597 A N 0.476 123.339 122.820 0.072 0.000 2.259 597 A HA 0.166 4.485 4.320 -0.001 0.000 0.212 597 A C 1.975 179.611 177.584 0.086 0.000 1.178 597 A CA 1.352 53.438 52.037 0.083 0.000 0.734 597 A CB -1.127 17.907 19.000 0.056 0.000 0.774 597 A HN 1.230 nan 8.150 nan 0.000 0.481 598 S N -2.975 112.774 115.700 0.082 0.000 2.578 598 S HA 0.535 5.004 4.470 -0.001 0.000 0.228 598 S C 0.703 175.360 174.600 0.095 0.000 1.022 598 S CA 0.619 58.867 58.200 0.080 0.000 0.967 598 S CB 0.206 63.439 63.200 0.055 0.000 0.914 598 S HN 1.711 nan 8.310 nan 0.000 0.515 599 G N -0.252 108.616 108.800 0.114 0.000 2.369 599 G HA2 0.350 4.310 3.960 -0.001 0.000 0.293 599 G HA3 0.350 4.310 3.960 -0.001 0.000 0.293 599 G C -1.272 173.703 174.900 0.126 0.000 1.301 599 G CA -0.287 44.884 45.100 0.118 0.000 0.913 599 G HN 0.631 nan 8.290 nan 0.000 0.540 600 C N -0.846 118.523 119.300 0.115 0.000 3.154 600 C HA 0.937 5.397 4.460 -0.001 0.000 0.312 600 C C -0.486 174.563 174.990 0.098 0.000 1.349 600 C CA -0.895 58.203 59.018 0.133 0.000 1.518 600 C CB 1.711 29.549 27.740 0.164 0.000 1.934 600 C HN 0.872 nan 8.230 nan 0.000 0.462 601 E N 0.090 120.352 120.200 0.103 0.000 2.292 601 E HA 0.594 4.944 4.350 -0.001 0.000 0.272 601 E C -1.757 174.901 176.600 0.097 0.000 0.881 601 E CA -0.494 55.960 56.400 0.090 0.000 0.754 601 E CB 2.338 32.076 29.700 0.064 0.000 1.201 601 E HN 0.372 nan 8.360 nan 0.000 0.425 602 V N 4.019 124.006 119.914 0.123 0.000 2.444 602 V HA 0.418 4.537 4.120 -0.001 0.000 0.294 602 V C -0.264 175.934 176.094 0.174 0.000 1.022 602 V CA -0.598 61.771 62.300 0.114 0.000 0.850 602 V CB 1.194 33.066 31.823 0.082 0.000 0.992 602 V HN 0.591 nan 8.190 nan 0.000 0.426 603 I N 4.172 124.808 120.570 0.110 0.000 2.392 603 I HA 0.821 4.990 4.170 -0.001 0.000 0.295 603 I C 0.375 176.578 176.117 0.144 0.000 0.985 603 I CA -0.177 61.199 61.300 0.126 0.000 1.221 603 I CB 1.719 39.754 38.000 0.058 0.000 1.366 603 I HN 0.734 nan 8.210 nan 0.000 0.467 604 A N 5.530 128.490 122.820 0.233 0.000 2.564 604 A HA 0.907 5.226 4.320 -0.001 0.000 0.288 604 A C -1.045 176.712 177.584 0.288 0.000 1.164 604 A CA -0.585 51.597 52.037 0.242 0.000 0.712 604 A CB 2.144 21.309 19.000 0.275 0.000 1.303 604 A HN 0.618 nan 8.150 nan 0.000 0.418 605 V N -0.602 119.463 119.914 0.252 0.000 2.925 605 V HA 0.652 4.772 4.120 -0.001 0.000 0.311 605 V C -0.512 175.746 176.094 0.273 0.000 1.104 605 V CA -1.040 61.383 62.300 0.206 0.000 0.954 605 V CB 1.866 33.748 31.823 0.098 0.000 1.022 605 V HN 0.927 nan 8.190 nan 0.000 0.427 606 N N 2.484 121.363 118.700 0.299 0.000 2.492 606 N HA 0.138 4.878 4.740 -0.001 0.000 0.262 606 N C 1.093 176.697 175.510 0.156 0.000 1.202 606 N CA 0.817 54.043 53.050 0.294 0.000 0.926 606 N CB 1.795 40.431 38.487 0.250 0.000 1.078 606 N HN 1.113 nan 8.380 nan 0.000 0.454 607 T N 0.538 115.168 114.554 0.126 0.000 3.086 607 T HA 0.236 4.585 4.350 -0.001 0.000 0.250 607 T C 1.232 175.998 174.700 0.110 0.000 1.074 607 T CA 0.120 62.297 62.100 0.129 0.000 0.988 607 T CB 0.243 69.192 68.868 0.136 0.000 0.988 607 T HN 0.361 nan 8.240 nan 0.000 0.530 608 R N 0.653 121.208 120.500 0.092 0.000 2.225 608 R HA 0.341 4.680 4.340 -0.001 0.000 0.194 608 R C 0.152 176.488 176.300 0.060 0.000 0.957 608 R CA 0.205 56.349 56.100 0.073 0.000 1.042 608 R CB 0.506 30.846 30.300 0.066 0.000 1.004 608 R HN 0.251 nan 8.270 nan 0.000 0.509 609 S N 0.595 116.331 115.700 0.060 0.000 2.312 609 S HA 0.052 4.521 4.470 -0.001 0.000 0.173 609 S C 0.506 175.122 174.600 0.026 0.000 1.488 609 S CA -0.339 57.883 58.200 0.036 0.000 1.239 609 S CB 1.361 64.575 63.200 0.024 0.000 1.215 609 S HN 0.285 nan 8.310 nan 0.000 0.438 610 T N -0.648 113.926 114.554 0.034 0.000 3.093 610 T HA -0.140 4.210 4.350 -0.001 0.000 0.270 610 T C 1.896 176.592 174.700 -0.007 0.000 1.170 610 T CA 1.262 63.380 62.100 0.029 0.000 1.072 610 T CB -0.501 68.391 68.868 0.040 0.000 0.863 610 T HN 0.556 nan 8.240 nan 0.000 0.562 611 S N 1.776 117.461 115.700 -0.026 0.000 2.335 611 S HA -0.105 4.364 4.470 -0.001 0.000 0.217 611 S C 1.164 175.703 174.600 -0.102 0.000 1.032 611 S CA -0.136 58.033 58.200 -0.051 0.000 0.985 611 S CB -0.690 62.483 63.200 -0.045 0.000 0.896 611 S HN 0.859 nan 8.310 nan 0.000 0.445 612 Q N 2.327 122.033 119.800 -0.156 0.000 2.297 612 Q HA 0.392 4.732 4.340 -0.001 0.000 0.267 612 Q C -0.595 175.142 176.000 -0.438 0.000 1.006 612 Q CA -0.125 55.489 55.803 -0.315 0.000 0.896 612 Q CB 0.206 28.703 28.738 -0.403 0.000 1.186 612 Q HN 0.369 nan 8.270 nan 0.000 0.392 613 T N 1.208 115.516 114.554 -0.411 0.000 2.791 613 T HA 0.534 4.883 4.350 -0.001 0.000 0.288 613 T C -0.666 173.826 174.700 -0.347 0.000 0.999 613 T CA -0.763 61.158 62.100 -0.299 0.000 0.952 613 T CB 0.183 68.981 68.868 -0.117 0.000 0.938 613 T HN 0.422 nan 8.240 nan 0.000 0.444 614 F N 2.902 122.821 119.950 -0.052 0.000 2.382 614 F HA 0.614 5.141 4.527 -0.001 0.000 0.331 614 F C 0.671 176.356 175.800 -0.192 0.000 1.121 614 F CA -1.337 56.547 58.000 -0.192 0.000 1.183 614 F CB 0.854 39.712 39.000 -0.236 0.000 1.207 614 F HN 0.436 nan 8.300 nan 0.000 0.555 615 I N 2.778 123.258 120.570 -0.150 0.000 2.468 615 I HA 0.230 4.399 4.170 -0.001 0.000 0.284 615 I C -1.459 174.545 176.117 -0.188 0.000 1.038 615 I CA -0.689 60.564 61.300 -0.078 0.000 1.083 615 I CB 1.273 39.244 38.000 -0.048 0.000 1.223 615 I HN 0.493 nan 8.210 nan 0.000 0.443 616 Y N 5.412 125.740 120.300 0.048 0.000 2.331 616 Y HA 0.409 4.959 4.550 0.000 0.000 0.338 616 Y C 0.180 176.086 175.900 0.010 0.000 0.976 616 Y CA -0.769 57.342 58.100 0.018 0.000 1.137 616 Y CB 1.347 39.801 38.460 -0.009 0.000 1.172 616 Y HN 0.351 nan 8.280 nan 0.000 0.478 617 K N 3.583 124.061 120.400 0.129 0.000 2.118 617 K HA 0.774 5.094 4.320 -0.001 0.000 0.267 617 K C -0.637 176.002 176.600 0.065 0.000 0.991 617 K CA -0.575 55.760 56.287 0.080 0.000 0.916 617 K CB 1.095 33.624 32.500 0.048 0.000 1.041 617 K HN 0.847 nan 8.250 nan 0.000 0.455 618 C N -1.850 117.476 119.300 0.043 0.000 3.259 618 C HA 0.290 4.750 4.460 -0.001 0.000 0.344 618 C C 0.193 175.180 174.990 -0.006 0.000 1.401 618 C CA -0.881 58.137 59.018 0.001 0.000 1.219 618 C CB 0.734 28.462 27.740 -0.020 0.000 1.521 618 C HN 0.895 nan 8.230 nan 0.000 0.455 619 D N 0.830 121.182 120.400 -0.080 0.000 2.327 619 D HA 0.353 4.992 4.640 -0.001 0.000 0.205 619 D C 0.663 176.909 176.300 -0.090 0.000 0.989 619 D CA 1.473 55.425 54.000 -0.080 0.000 0.873 619 D CB 0.799 41.471 40.800 -0.214 0.000 0.955 619 D HN 1.013 nan 8.370 nan 0.000 0.515 620 A N 0.553 123.273 122.820 -0.166 0.000 2.574 620 A HA 0.525 4.844 4.320 -0.001 0.000 0.297 620 A C -1.185 176.393 177.584 -0.010 0.000 1.062 620 A CA -0.550 51.471 52.037 -0.027 0.000 0.686 620 A CB 1.945 20.815 19.000 -0.218 0.000 1.285 620 A HN -0.084 nan 8.150 nan 0.000 0.403 621 V N 1.787 121.757 119.914 0.093 0.000 2.495 621 V HA 0.589 4.708 4.120 -0.001 0.000 0.298 621 V C -0.890 175.219 176.094 0.024 0.000 1.031 621 V CA -0.500 61.810 62.300 0.016 0.000 0.871 621 V CB 1.466 33.288 31.823 -0.003 0.000 0.988 621 V HN 0.868 nan 8.190 nan 0.000 0.432 622 L N 6.007 127.202 121.223 -0.047 0.000 2.295 622 L HA 0.587 4.926 4.340 -0.001 0.000 0.281 622 L C -0.355 176.457 176.870 -0.096 0.000 1.018 622 L CA -0.082 54.722 54.840 -0.059 0.000 0.841 622 L CB 0.904 42.921 42.059 -0.071 0.000 1.218 622 L HN 0.824 nan 8.230 nan 0.000 0.424 623 C N 4.236 123.419 119.300 -0.195 0.000 2.373 623 C HA 0.555 5.014 4.460 -0.001 0.000 0.354 623 C C 1.518 176.549 174.990 0.069 0.000 1.249 623 C CA 0.301 59.266 59.018 -0.089 0.000 1.784 623 C CB -0.612 27.011 27.740 -0.194 0.000 2.408 623 C HN 0.969 nan 8.230 nan 0.000 0.542 624 T N 4.344 118.956 114.554 0.097 0.000 3.215 624 T HA 0.265 4.615 4.350 -0.001 0.000 0.271 624 T C 0.267 175.086 174.700 0.198 0.000 1.012 624 T CA -0.311 61.879 62.100 0.148 0.000 0.899 624 T CB -0.404 68.511 68.868 0.079 0.000 1.089 624 T HN 0.654 nan 8.240 nan 0.000 0.552 625 L N 2.284 123.630 121.223 0.205 0.000 2.525 625 L HA 0.264 4.604 4.340 -0.001 0.000 0.278 625 L C -2.059 174.883 176.870 0.119 0.000 1.218 625 L CA -1.794 53.145 54.840 0.165 0.000 0.878 625 L CB 0.049 42.214 42.059 0.176 0.000 1.127 625 L HN 0.084 nan 8.230 nan 0.000 0.492 626 P HA -0.072 nan 4.420 nan 0.000 0.268 626 P C 0.475 177.426 177.300 -0.582 0.000 1.208 626 P CA -0.375 62.624 63.100 -0.168 0.000 0.777 626 P CB 0.592 32.272 31.700 -0.034 0.000 0.875 627 L N 3.570 124.151 121.223 -1.070 0.000 2.081 627 L HA -0.114 4.225 4.340 -0.001 0.000 0.212 627 L C 2.165 178.422 176.870 -1.021 0.000 1.080 627 L CA 2.573 56.765 54.840 -1.081 0.000 0.754 627 L CB -1.655 39.892 42.059 -0.854 0.000 0.893 627 L HN 0.530 nan 8.230 nan 0.000 0.433 628 G N -1.373 106.375 108.800 -1.753 0.000 2.450 628 G HA2 -0.194 3.766 3.960 -0.001 0.000 0.220 628 G HA3 -0.194 3.766 3.960 -0.001 0.000 0.220 628 G C 1.508 176.194 174.900 -0.357 0.000 1.130 628 G CA 1.047 45.579 45.100 -0.947 0.000 0.760 628 G HN 0.362 nan 8.290 nan 0.000 0.557 629 V N 0.715 120.453 119.914 -0.294 0.000 2.488 629 V HA 0.005 4.124 4.120 -0.001 0.000 0.246 629 V C 2.809 178.859 176.094 -0.073 0.000 1.046 629 V CA 0.977 63.222 62.300 -0.092 0.000 1.053 629 V CB -0.237 31.595 31.823 0.015 0.000 0.679 629 V HN 0.337 nan 8.190 nan 0.000 0.458 630 L N -0.445 120.700 121.223 -0.132 0.000 2.265 630 L HA -0.157 4.183 4.340 -0.001 0.000 0.215 630 L C 2.295 179.114 176.870 -0.084 0.000 1.117 630 L CA 1.456 56.258 54.840 -0.063 0.000 0.782 630 L CB -0.464 41.522 42.059 -0.120 0.000 0.914 630 L HN 0.307 nan 8.230 nan 0.000 0.441 631 K N -0.585 119.731 120.400 -0.140 0.000 2.361 631 K HA -0.007 4.313 4.320 -0.001 0.000 0.196 631 K C 0.772 177.340 176.600 -0.054 0.000 1.039 631 K CA -0.127 56.099 56.287 -0.103 0.000 1.001 631 K CB 0.170 32.598 32.500 -0.121 0.000 0.795 631 K HN 0.192 nan 8.250 nan 0.000 0.495 632 Q N 1.687 121.461 119.800 -0.044 0.000 2.304 632 Q HA -0.105 4.234 4.340 -0.001 0.000 0.315 632 Q C -0.762 175.234 176.000 -0.008 0.000 1.075 632 Q CA 0.789 56.580 55.803 -0.020 0.000 0.988 632 Q CB 0.464 29.193 28.738 -0.014 0.000 1.146 632 Q HN 0.041 nan 8.270 nan 0.000 0.383 633 Q N 4.371 124.166 119.800 -0.008 0.000 2.290 633 Q HA 0.393 4.732 4.340 -0.001 0.000 0.269 633 Q C -2.236 173.760 176.000 -0.006 0.000 1.016 633 Q CA -1.742 54.058 55.803 -0.005 0.000 0.754 633 Q CB 1.559 30.294 28.738 -0.006 0.000 1.247 633 Q HN 0.624 nan 8.270 nan 0.000 0.451 634 P HA 0.208 nan 4.420 nan 0.000 0.270 634 P C -2.443 174.860 177.300 0.005 0.000 1.223 634 P CA -0.893 62.208 63.100 0.001 0.000 0.785 634 P CB -0.143 31.557 31.700 0.000 0.000 0.923 635 P HA 0.011 nan 4.420 nan 0.000 0.269 635 P C -0.261 177.054 177.300 0.026 0.000 1.209 635 P CA 0.001 63.119 63.100 0.030 0.000 0.776 635 P CB 0.824 32.556 31.700 0.053 0.000 0.876 636 A N 2.757 125.599 122.820 0.035 0.000 2.081 636 A HA 0.177 4.496 4.320 -0.001 0.000 0.214 636 A C 0.877 178.484 177.584 0.039 0.000 1.158 636 A CA 0.982 53.046 52.037 0.045 0.000 0.724 636 A CB -0.161 18.881 19.000 0.069 0.000 0.826 636 A HN 0.506 nan 8.150 nan 0.000 0.463 637 V N -0.517 119.403 119.914 0.010 0.000 2.711 637 V HA 0.460 4.580 4.120 -0.001 0.000 0.304 637 V C -1.088 174.906 176.094 -0.166 0.000 1.097 637 V CA -0.762 61.483 62.300 -0.091 0.000 0.906 637 V CB 1.625 33.355 31.823 -0.155 0.000 1.015 637 V HN 0.435 nan 8.190 nan 0.000 0.427 638 Q N 3.997 123.696 119.800 -0.168 0.000 2.259 638 Q HA 0.513 4.852 4.340 -0.001 0.000 0.249 638 Q C -1.754 174.085 176.000 -0.268 0.000 0.914 638 Q CA -0.488 55.249 55.803 -0.110 0.000 0.904 638 Q CB 1.286 30.004 28.738 -0.034 0.000 1.213 638 Q HN 0.771 nan 8.270 nan 0.000 0.428 639 F N 2.530 122.536 119.950 0.093 0.000 2.426 639 F HA 0.376 4.902 4.527 -0.001 0.000 0.348 639 F C -0.551 175.327 175.800 0.131 0.000 1.124 639 F CA -0.682 57.419 58.000 0.169 0.000 1.008 639 F CB 1.761 40.878 39.000 0.195 0.000 1.139 639 F HN 0.196 nan 8.300 nan 0.000 0.452 640 V N 5.355 125.404 119.914 0.225 0.000 2.376 640 V HA 0.376 4.496 4.120 -0.001 0.000 0.287 640 V C -2.299 173.626 176.094 -0.280 0.000 1.015 640 V CA -2.131 60.178 62.300 0.016 0.000 0.834 640 V CB 1.327 33.141 31.823 -0.015 0.000 1.001 640 V HN 0.485 nan 8.190 nan 0.000 0.428 641 P HA 0.278 nan 4.420 nan 0.000 0.273 641 P C -2.711 174.653 177.300 0.107 0.000 1.250 641 P CA -1.433 61.601 63.100 -0.111 0.000 0.793 641 P CB -0.177 31.444 31.700 -0.133 0.000 1.011 642 P HA 0.106 nan 4.420 nan 0.000 0.271 642 P C -0.291 177.064 177.300 0.091 0.000 1.218 642 P CA 0.041 63.224 63.100 0.138 0.000 0.780 642 P CB 0.250 31.987 31.700 0.062 0.000 0.901 643 L N 3.756 124.982 121.223 0.006 0.000 2.499 643 L HA 0.112 4.452 4.340 -0.001 0.000 0.281 643 L C -1.707 175.011 176.870 -0.254 0.000 1.234 643 L CA -1.480 53.241 54.840 -0.199 0.000 0.839 643 L CB -0.762 41.038 42.059 -0.432 0.000 1.104 643 L HN 0.283 nan 8.230 nan 0.000 0.500 644 P HA -0.054 nan 4.420 nan 0.000 0.269 644 P C 0.438 177.450 177.300 -0.480 0.000 1.217 644 P CA -0.237 62.589 63.100 -0.457 0.000 0.783 644 P CB 0.497 31.698 31.700 -0.832 0.000 0.898 645 E N 2.049 122.100 120.200 -0.248 0.000 2.150 645 E HA -0.146 4.203 4.350 -0.001 0.000 0.193 645 E C 1.510 178.041 176.600 -0.115 0.000 0.985 645 E CA 1.402 57.717 56.400 -0.142 0.000 0.814 645 E CB -0.283 29.400 29.700 -0.029 0.000 0.752 645 E HN 0.649 nan 8.360 nan 0.000 0.466 646 W N 1.224 122.486 121.300 -0.064 0.000 2.425 646 W HA -0.091 4.569 4.660 -0.001 0.000 0.277 646 W C 1.694 178.147 176.519 -0.111 0.000 1.231 646 W CA 0.956 58.255 57.345 -0.077 0.000 1.248 646 W CB -0.573 28.846 29.460 -0.068 0.000 1.117 646 W HN -0.010 nan 8.180 nan 0.000 0.568 647 K N 2.109 122.099 120.400 -0.685 0.000 2.067 647 K HA -0.102 4.217 4.320 -0.001 0.000 0.203 647 K C 2.411 178.773 176.600 -0.396 0.000 1.048 647 K CA 2.881 58.756 56.287 -0.687 0.000 0.954 647 K CB -0.899 30.867 32.500 -1.222 0.000 0.737 647 K HN 0.055 nan 8.250 nan 0.000 0.444 648 T N -1.396 112.939 114.554 -0.366 0.000 2.867 648 T HA -0.135 4.215 4.350 -0.001 0.000 0.268 648 T C 2.001 176.606 174.700 -0.158 0.000 1.057 648 T CA 1.489 63.443 62.100 -0.243 0.000 1.136 648 T CB -0.703 68.049 68.868 -0.195 0.000 0.874 648 T HN 0.285 nan 8.240 nan 0.000 0.466 649 S N 2.046 117.674 115.700 -0.120 0.000 2.428 649 S HA 0.222 4.691 4.470 -0.001 0.000 0.230 649 S C 2.430 176.985 174.600 -0.075 0.000 1.014 649 S CA 0.587 58.745 58.200 -0.071 0.000 0.957 649 S CB -0.784 62.398 63.200 -0.030 0.000 0.784 649 S HN 0.725 nan 8.310 nan 0.000 0.499 650 A N 1.641 124.412 122.820 -0.081 0.000 1.898 650 A HA 0.116 4.435 4.320 -0.001 0.000 0.216 650 A C 2.389 179.891 177.584 -0.136 0.000 1.181 650 A CA 1.434 53.415 52.037 -0.093 0.000 0.620 650 A CB -1.132 17.829 19.000 -0.065 0.000 0.819 650 A HN 0.415 nan 8.150 nan 0.000 0.442 651 V N 0.174 119.993 119.914 -0.157 0.000 2.392 651 V HA -0.331 3.788 4.120 -0.001 0.000 0.249 651 V C 2.652 178.663 176.094 -0.139 0.000 1.059 651 V CA 2.368 64.569 62.300 -0.166 0.000 1.051 651 V CB -0.804 30.907 31.823 -0.186 0.000 0.658 651 V HN 0.656 nan 8.190 nan 0.000 0.455 652 Q N -0.859 118.873 119.800 -0.114 0.000 2.123 652 Q HA -0.120 4.220 4.340 -0.001 0.000 0.199 652 Q C 2.492 178.441 176.000 -0.084 0.000 0.966 652 Q CA 1.117 56.868 55.803 -0.088 0.000 0.845 652 Q CB -0.137 28.561 28.738 -0.067 0.000 0.907 652 Q HN 0.578 nan 8.270 nan 0.000 0.439 653 R N 0.151 120.596 120.500 -0.091 0.000 2.075 653 R HA 0.024 4.363 4.340 -0.001 0.000 0.232 653 R C 0.820 177.041 176.300 -0.131 0.000 1.126 653 R CA 0.488 56.536 56.100 -0.088 0.000 0.963 653 R CB -0.156 30.096 30.300 -0.080 0.000 0.858 653 R HN 0.239 nan 8.270 nan 0.000 0.435 654 M N 0.684 120.175 119.600 -0.182 0.000 2.250 654 M HA 0.031 4.511 4.480 -0.001 0.000 0.337 654 M C 0.794 176.909 176.300 -0.309 0.000 1.161 654 M CA 0.204 55.348 55.300 -0.261 0.000 1.088 654 M CB 0.458 32.892 32.600 -0.277 0.000 1.639 654 M HN 0.105 nan 8.290 nan 0.000 0.447 655 G N 1.578 110.026 108.800 -0.587 0.000 2.448 655 G HA2 0.577 4.537 3.960 -0.001 0.000 0.285 655 G HA3 0.577 4.537 3.960 -0.001 0.000 0.285 655 G C -1.753 172.803 174.900 -0.574 0.000 1.176 655 G CA -0.329 44.122 45.100 -1.082 0.000 0.852 655 G HN 0.578 nan 8.290 nan 0.000 0.530 656 F N 1.363 121.122 119.950 -0.318 0.000 2.612 656 F HA 0.603 5.130 4.527 -0.001 0.000 0.332 656 F C 0.534 176.460 175.800 0.210 0.000 1.167 656 F CA -0.902 57.087 58.000 -0.020 0.000 0.970 656 F CB 1.415 40.391 39.000 -0.040 0.000 1.234 656 F HN 0.710 nan 8.300 nan 0.000 0.453 657 G N 3.533 112.258 108.800 -0.125 0.000 2.510 657 G HA2 0.344 4.303 3.960 -0.001 0.000 0.280 657 G HA3 0.344 4.303 3.960 -0.001 0.000 0.280 657 G C -1.304 173.341 174.900 -0.426 0.000 1.386 657 G CA -0.695 44.297 45.100 -0.180 0.000 1.047 657 G HN 0.714 nan 8.290 nan 0.000 0.527 658 N N -1.986 116.493 118.700 -0.367 0.000 2.504 658 N HA 0.480 5.219 4.740 -0.001 0.000 0.268 658 N C -1.883 173.481 175.510 -0.244 0.000 1.184 658 N CA -0.636 52.253 53.050 -0.268 0.000 0.875 658 N CB 2.278 40.704 38.487 -0.102 0.000 1.630 658 N HN 0.650 nan 8.380 nan 0.000 0.486 659 L N 0.144 121.280 121.223 -0.145 0.000 2.672 659 L HA 0.672 5.011 4.340 -0.001 0.000 0.256 659 L C -2.021 174.933 176.870 0.140 0.000 0.946 659 L CA -0.783 54.035 54.840 -0.036 0.000 0.889 659 L CB 1.653 43.583 42.059 -0.214 0.000 1.441 659 L HN 0.486 nan 8.230 nan 0.000 0.418 660 N N 1.028 119.848 118.700 0.199 0.000 2.455 660 N HA 0.655 5.395 4.740 -0.001 0.000 0.278 660 N C -1.569 174.031 175.510 0.150 0.000 1.291 660 N CA -0.778 52.401 53.050 0.216 0.000 0.780 660 N CB 2.766 41.322 38.487 0.115 0.000 1.520 660 N HN 0.705 nan 8.380 nan 0.000 0.486 661 K N 0.322 120.780 120.400 0.096 0.000 2.426 661 K HA 0.626 4.945 4.320 -0.001 0.000 0.251 661 K C -1.208 175.337 176.600 -0.091 0.000 0.941 661 K CA -0.818 55.453 56.287 -0.027 0.000 0.808 661 K CB 2.605 35.120 32.500 0.026 0.000 1.265 661 K HN 0.126 nan 8.250 nan 0.000 0.432 662 V N 2.189 122.000 119.914 -0.171 0.000 2.409 662 V HA 0.258 4.377 4.120 -0.001 0.000 0.291 662 V C -0.466 175.516 176.094 -0.187 0.000 1.020 662 V CA -0.984 61.215 62.300 -0.167 0.000 0.848 662 V CB 1.650 33.379 31.823 -0.156 0.000 0.990 662 V HN 0.488 nan 8.190 nan 0.000 0.430 663 V N 6.787 126.581 119.914 -0.200 0.000 2.383 663 V HA 0.416 4.535 4.120 -0.001 0.000 0.275 663 V C -0.104 175.833 176.094 -0.263 0.000 1.036 663 V CA -0.313 61.859 62.300 -0.213 0.000 0.889 663 V CB 1.276 32.946 31.823 -0.257 0.000 0.985 663 V HN 0.646 nan 8.190 nan 0.000 0.459 664 L N 5.148 126.222 121.223 -0.249 0.000 2.295 664 L HA 0.451 4.790 4.340 -0.001 0.000 0.281 664 L C -0.510 175.990 176.870 -0.615 0.000 1.018 664 L CA -0.220 54.365 54.840 -0.425 0.000 0.841 664 L CB 1.232 43.124 42.059 -0.278 0.000 1.218 664 L HN 0.584 nan 8.230 nan 0.000 0.424 665 C N 3.303 122.194 119.300 -0.682 0.000 2.325 665 C HA 0.596 5.056 4.460 -0.001 0.000 0.347 665 C C 0.181 174.778 174.990 -0.655 0.000 1.263 665 C CA -0.615 57.970 59.018 -0.721 0.000 1.806 665 C CB -0.675 26.377 27.740 -1.147 0.000 2.405 665 C HN 0.446 nan 8.230 nan 0.000 0.537 666 F N 1.783 121.775 119.950 0.071 0.000 2.594 666 F HA 0.395 4.921 4.527 -0.001 0.000 0.335 666 F C 1.262 177.218 175.800 0.259 0.000 1.058 666 F CA -0.851 57.272 58.000 0.204 0.000 0.981 666 F CB 0.965 40.163 39.000 0.331 0.000 1.289 666 F HN 0.561 nan 8.300 nan 0.000 0.490 667 D N -0.729 119.924 120.400 0.423 0.000 2.369 667 D HA 0.134 4.773 4.640 -0.001 0.000 0.211 667 D C 0.049 176.467 176.300 0.196 0.000 1.077 667 D CA 0.206 54.383 54.000 0.296 0.000 0.842 667 D CB 0.191 41.120 40.800 0.215 0.000 0.947 667 D HN 0.425 nan 8.370 nan 0.000 0.509 668 R N -0.690 119.927 120.500 0.195 0.000 2.707 668 R HA 0.563 4.902 4.340 -0.001 0.000 0.272 668 R C -1.516 174.621 176.300 -0.272 0.000 1.011 668 R CA -0.959 55.139 56.100 -0.002 0.000 0.893 668 R CB 2.687 32.992 30.300 0.008 0.000 1.233 668 R HN -0.188 nan 8.270 nan 0.000 0.464 669 V N 3.731 123.307 119.914 -0.564 0.000 2.318 669 V HA 0.193 4.312 4.120 -0.001 0.000 0.271 669 V C 0.071 175.515 176.094 -1.083 0.000 1.030 669 V CA -0.215 61.260 62.300 -1.375 0.000 0.844 669 V CB 0.435 31.598 31.823 -1.100 0.000 1.015 669 V HN 0.751 nan 8.190 nan 0.000 0.460 670 F N 2.231 121.551 119.950 -1.050 0.000 2.695 670 F HA 0.449 4.976 4.527 -0.001 0.000 0.303 670 F C 0.422 175.792 175.800 -0.716 0.000 1.091 670 F CA -1.436 56.165 58.000 -0.664 0.000 1.300 670 F CB -0.461 38.225 39.000 -0.523 0.000 1.071 670 F HN 0.458 nan 8.300 nan 0.000 0.578 671 W N 0.105 120.897 121.300 -0.847 0.000 2.492 671 W HA 0.534 5.193 4.660 -0.001 0.000 0.373 671 W C -0.366 176.009 176.519 -0.239 0.000 1.323 671 W CA -1.499 55.391 57.345 -0.758 0.000 1.406 671 W CB -0.042 28.962 29.460 -0.760 0.000 1.398 671 W HN -0.269 nan 8.180 nan 0.000 0.671 672 D N 2.696 123.251 120.400 0.258 0.000 2.342 672 D HA 0.090 4.729 4.640 -0.001 0.000 0.260 672 D C -0.968 175.494 176.300 0.269 0.000 1.278 672 D CA -1.891 52.227 54.000 0.198 0.000 0.910 672 D CB 1.144 42.071 40.800 0.212 0.000 1.079 672 D HN 0.156 nan 8.370 nan 0.000 0.496 673 P HA -0.107 nan 4.420 nan 0.000 0.226 673 P C 0.839 178.233 177.300 0.156 0.000 1.153 673 P CA 0.549 63.739 63.100 0.149 0.000 0.777 673 P CB 0.211 31.917 31.700 0.010 0.000 0.794 674 S N -1.724 114.055 115.700 0.132 0.000 2.575 674 S HA 0.142 4.611 4.470 -0.001 0.000 0.215 674 S C 0.617 175.300 174.600 0.137 0.000 0.966 674 S CA -0.333 57.934 58.200 0.111 0.000 0.911 674 S CB -0.514 62.734 63.200 0.080 0.000 0.780 674 S HN -0.108 nan 8.310 nan 0.000 0.514 675 V N 2.487 122.518 119.914 0.195 0.000 2.409 675 V HA 0.356 4.475 4.120 -0.001 0.000 0.291 675 V C 0.321 176.571 176.094 0.260 0.000 1.020 675 V CA -0.752 61.681 62.300 0.223 0.000 0.848 675 V CB 1.316 33.299 31.823 0.267 0.000 0.990 675 V HN 0.356 nan 8.190 nan 0.000 0.430 676 N N 3.519 122.341 118.700 0.202 0.000 2.395 676 N HA 0.247 4.986 4.740 -0.001 0.000 0.175 676 N C -0.290 175.358 175.510 0.230 0.000 1.029 676 N CA 0.500 53.657 53.050 0.179 0.000 0.897 676 N CB 0.294 38.829 38.487 0.080 0.000 0.991 676 N HN 0.496 nan 8.380 nan 0.000 0.441 677 L N 0.104 121.481 121.223 0.257 0.000 2.409 677 L HA 0.578 4.917 4.340 -0.001 0.000 0.262 677 L C -1.448 175.641 176.870 0.365 0.000 0.992 677 L CA -1.271 53.734 54.840 0.275 0.000 0.817 677 L CB 1.719 43.929 42.059 0.251 0.000 1.350 677 L HN -0.064 nan 8.230 nan 0.000 0.411 678 F N -0.893 119.197 119.950 0.233 0.000 2.628 678 F HA 0.889 5.415 4.527 -0.001 0.000 0.309 678 F C -0.277 175.666 175.800 0.239 0.000 1.108 678 F CA -0.821 57.305 58.000 0.210 0.000 0.971 678 F CB 1.379 40.559 39.000 0.301 0.000 1.279 678 F HN 0.457 nan 8.300 nan 0.000 0.441 679 G N 0.391 109.358 108.800 0.277 0.000 2.417 679 G HA2 0.504 4.464 3.960 -0.001 0.000 0.334 679 G HA3 0.504 4.464 3.960 -0.001 0.000 0.334 679 G C -2.279 172.831 174.900 0.350 0.000 1.150 679 G CA -0.898 44.333 45.100 0.219 0.000 0.923 679 G HN 1.118 nan 8.290 nan 0.000 0.485 680 H N 0.671 119.967 119.070 0.376 0.000 2.638 680 H HA 0.485 5.040 4.556 -0.001 0.000 0.317 680 H C -0.674 174.878 175.328 0.373 0.000 1.006 680 H CA -0.667 55.591 56.048 0.350 0.000 1.222 680 H CB 1.297 31.303 29.762 0.408 0.000 1.419 680 H HN 0.257 nan 8.280 nan 0.000 0.489 681 V N 6.153 125.952 119.914 -0.191 0.000 2.415 681 V HA 0.254 4.374 4.120 -0.001 0.000 0.267 681 V C 1.460 177.329 176.094 -0.375 0.000 1.042 681 V CA 0.481 62.703 62.300 -0.129 0.000 1.000 681 V CB 0.476 32.251 31.823 -0.080 0.000 1.015 681 V HN 1.023 nan 8.190 nan 0.000 0.478 682 G N 3.934 112.609 108.800 -0.208 0.000 2.683 682 G HA2 0.246 4.205 3.960 -0.001 0.000 0.260 682 G HA3 0.246 4.205 3.960 -0.001 0.000 0.260 682 G C 0.923 175.814 174.900 -0.016 0.000 1.238 682 G CA 0.073 45.110 45.100 -0.105 0.000 0.934 682 G HN 0.682 nan 8.290 nan 0.000 0.534 683 S N -1.326 114.398 115.700 0.040 0.000 2.492 683 S HA 0.153 4.622 4.470 -0.001 0.000 0.218 683 S C 1.075 175.700 174.600 0.042 0.000 1.016 683 S CA 0.795 59.021 58.200 0.043 0.000 0.916 683 S CB 0.155 63.391 63.200 0.059 0.000 0.791 683 S HN 1.041 nan 8.310 nan 0.000 0.513 684 T N -1.618 112.962 114.554 0.045 0.000 2.901 684 T HA 0.419 4.769 4.350 -0.001 0.000 0.293 684 T C 0.812 175.537 174.700 0.042 0.000 1.084 684 T CA -0.554 61.571 62.100 0.042 0.000 1.008 684 T CB 1.387 70.277 68.868 0.037 0.000 1.170 684 T HN -0.157 nan 8.240 nan 0.000 0.509 685 T N 1.262 115.842 114.554 0.044 0.000 2.708 685 T HA -0.031 4.318 4.350 -0.001 0.000 0.266 685 T C 2.431 177.142 174.700 0.019 0.000 1.037 685 T CA 1.632 63.760 62.100 0.046 0.000 1.146 685 T CB -0.871 68.026 68.868 0.049 0.000 0.865 685 T HN 0.845 nan 8.240 nan 0.000 0.435 686 A N 1.400 124.228 122.820 0.012 0.000 1.917 686 A HA -0.107 4.213 4.320 -0.001 0.000 0.219 686 A C 2.268 179.851 177.584 -0.002 0.000 1.182 686 A CA 1.887 53.924 52.037 -0.001 0.000 0.633 686 A CB -0.563 18.439 19.000 0.004 0.000 0.819 686 A HN 0.453 nan 8.150 nan 0.000 0.448 687 S N -0.705 115.004 115.700 0.014 0.000 2.583 687 S HA 0.093 4.563 4.470 -0.001 0.000 0.239 687 S C 1.463 176.079 174.600 0.026 0.000 0.966 687 S CA 0.114 58.327 58.200 0.022 0.000 0.973 687 S CB -0.054 63.172 63.200 0.043 0.000 0.794 687 S HN 0.760 nan 8.310 nan 0.000 0.463 688 R N 1.260 121.762 120.500 0.004 0.000 2.159 688 R HA -0.047 4.292 4.340 -0.001 0.000 0.237 688 R C 1.739 178.003 176.300 -0.059 0.000 1.131 688 R CA 1.601 57.696 56.100 -0.010 0.000 0.982 688 R CB -0.808 29.480 30.300 -0.021 0.000 0.868 688 R HN 0.312 nan 8.270 nan 0.000 0.453 689 G N 1.177 109.917 108.800 -0.100 0.000 2.985 689 G HA2 -0.162 3.797 3.960 -0.001 0.000 0.209 689 G HA3 -0.162 3.797 3.960 -0.001 0.000 0.209 689 G C 0.068 175.000 174.900 0.053 0.000 1.165 689 G CA -0.357 44.647 45.100 -0.161 0.000 0.776 689 G HN 0.513 nan 8.290 nan 0.000 0.541 690 E N 1.205 121.461 120.200 0.094 0.000 2.220 690 E HA 0.247 4.596 4.350 -0.001 0.000 0.272 690 E C 0.553 177.259 176.600 0.177 0.000 1.099 690 E CA -0.565 55.905 56.400 0.117 0.000 0.907 690 E CB -0.185 29.578 29.700 0.105 0.000 1.022 690 E HN 0.203 nan 8.360 nan 0.000 0.428 691 L N 5.091 126.349 121.223 0.059 0.000 3.833 691 L HA -0.285 4.055 4.340 -0.001 0.000 0.447 691 L C 0.586 177.451 176.870 -0.009 0.000 1.213 691 L CA 0.090 54.851 54.840 -0.131 0.000 0.801 691 L CB -1.929 40.074 42.059 -0.094 0.000 1.676 691 L HN 0.668 nan 8.230 nan 0.000 0.883 692 F N -0.714 119.183 119.950 -0.089 0.000 2.710 692 F HA 0.452 4.978 4.527 -0.001 0.000 0.298 692 F C 0.441 176.319 175.800 0.130 0.000 1.137 692 F CA 0.038 58.083 58.000 0.074 0.000 1.444 692 F CB 0.106 39.026 39.000 -0.133 0.000 1.111 692 F HN 0.112 nan 8.300 nan 0.000 0.580 693 L N -0.011 120.441 121.223 -1.285 0.000 2.445 693 L HA 0.636 4.976 4.340 -0.001 0.000 0.262 693 L C -1.933 174.274 176.870 -1.106 0.000 0.974 693 L CA -0.961 53.223 54.840 -1.094 0.000 0.822 693 L CB 1.996 43.066 42.059 -1.648 0.000 1.339 693 L HN -0.025 nan 8.230 nan 0.000 0.409 694 F N 3.346 122.840 119.950 -0.760 0.000 2.540 694 F HA 0.722 5.248 4.527 -0.001 0.000 0.317 694 F C -1.025 174.410 175.800 -0.609 0.000 1.104 694 F CA -0.132 57.351 58.000 -0.862 0.000 0.913 694 F CB 1.782 39.978 39.000 -1.340 0.000 1.170 694 F HN 0.616 nan 8.300 nan 0.000 0.450 695 W N 3.430 124.553 121.300 -0.295 0.000 3.118 695 W HA 0.635 5.295 4.660 -0.001 0.000 0.328 695 W C -2.126 174.304 176.519 -0.149 0.000 1.239 695 W CA -1.618 55.614 57.345 -0.187 0.000 1.176 695 W CB 0.683 30.085 29.460 -0.097 0.000 1.433 695 W HN 0.474 nan 8.180 nan 0.000 0.562 696 N N 1.972 120.842 118.700 0.284 0.000 2.229 696 N HA 0.721 5.460 4.740 -0.001 0.000 0.298 696 N C -0.969 174.673 175.510 0.221 0.000 1.114 696 N CA -0.413 52.760 53.050 0.206 0.000 0.776 696 N CB 1.839 40.384 38.487 0.097 0.000 1.501 696 N HN 0.684 nan 8.380 nan 0.000 0.474 701 P HA 0.486 nan 4.420 nan 0.000 0.237 701 P C -1.073 176.647 177.300 0.701 0.000 1.788 701 P CA 0.502 63.925 63.100 0.538 0.000 1.061 701 P CB -0.534 31.391 31.700 0.374 0.000 1.967 702 I N 1.801 122.715 120.570 0.572 0.000 2.509 702 I HA 0.404 4.573 4.170 -0.001 0.000 0.293 702 I C -0.237 175.897 176.117 0.028 0.000 1.020 702 I CA -0.904 60.562 61.300 0.275 0.000 1.088 702 I CB 2.269 40.395 38.000 0.210 0.000 1.267 702 I HN -0.092 nan 8.210 nan 0.000 0.430 703 L N 6.327 127.506 121.223 -0.074 0.000 2.386 703 L HA 0.590 4.929 4.340 -0.001 0.000 0.271 703 L C -0.976 175.829 176.870 -0.108 0.000 0.993 703 L CA -0.690 54.030 54.840 -0.201 0.000 0.819 703 L CB 2.332 44.265 42.059 -0.209 0.000 1.294 703 L HN 0.392 nan 8.230 nan 0.000 0.414 704 L N 2.577 123.675 121.223 -0.208 0.000 2.329 704 L HA 0.741 5.080 4.340 -0.001 0.000 0.279 704 L C -0.155 176.353 176.870 -0.602 0.000 1.014 704 L CA -0.572 54.048 54.840 -0.366 0.000 0.814 704 L CB 2.030 43.796 42.059 -0.488 0.000 1.257 704 L HN 0.662 nan 8.230 nan 0.000 0.424 705 A N 4.458 126.900 122.820 -0.630 0.000 2.318 705 A HA 0.750 5.070 4.320 -0.001 0.000 0.324 705 A C -0.866 176.258 177.584 -0.767 0.000 1.170 705 A CA -0.551 50.865 52.037 -1.034 0.000 0.810 705 A CB 1.095 19.543 19.000 -0.920 0.000 1.198 705 A HN 0.459 nan 8.150 nan 0.000 0.484 706 L N 2.402 123.088 121.223 -0.894 0.000 2.334 706 L HA 0.602 4.941 4.340 -0.001 0.000 0.275 706 L C -0.294 176.429 176.870 -0.245 0.000 1.036 706 L CA -0.557 53.923 54.840 -0.601 0.000 0.807 706 L CB 1.233 42.644 42.059 -1.079 0.000 1.231 706 L HN 0.415 nan 8.230 nan 0.000 0.438 707 V N 1.752 121.674 119.914 0.014 0.000 2.444 707 V HA 0.818 4.938 4.120 -0.001 0.000 0.294 707 V C 0.231 176.441 176.094 0.194 0.000 1.022 707 V CA -0.585 61.771 62.300 0.093 0.000 0.850 707 V CB 1.370 33.213 31.823 0.034 0.000 0.992 707 V HN 0.960 nan 8.190 nan 0.000 0.426 708 A N 3.353 126.246 122.820 0.121 0.000 2.387 708 A HA 1.018 5.338 4.320 -0.001 0.000 0.303 708 A C 0.772 178.307 177.584 -0.082 0.000 1.145 708 A CA 0.057 52.120 52.037 0.043 0.000 0.801 708 A CB 1.176 20.080 19.000 -0.159 0.000 1.342 708 A HN 1.992 nan 8.150 nan 0.000 0.440 709 G N 0.120 108.851 108.800 -0.116 0.000 2.614 709 G HA2 -0.323 3.636 3.960 -0.001 0.000 0.303 709 G HA3 -0.323 3.636 3.960 -0.001 0.000 0.303 709 G C 0.743 175.584 174.900 -0.100 0.000 1.270 709 G CA 0.956 45.974 45.100 -0.138 0.000 0.988 709 G HN 0.895 nan 8.290 nan 0.000 0.551 710 E N 0.485 120.631 120.200 -0.089 0.000 2.204 710 E HA 0.010 4.359 4.350 -0.001 0.000 0.195 710 E C 2.947 179.524 176.600 -0.039 0.000 0.990 710 E CA 1.192 57.555 56.400 -0.060 0.000 0.821 710 E CB -0.274 29.395 29.700 -0.052 0.000 0.750 710 E HN 0.678 nan 8.360 nan 0.000 0.477 711 A N 1.220 124.019 122.820 -0.035 0.000 2.015 711 A HA -0.032 4.287 4.320 -0.001 0.000 0.219 711 A C 2.341 179.921 177.584 -0.007 0.000 1.163 711 A CA 1.280 53.310 52.037 -0.012 0.000 0.646 711 A CB -0.387 18.613 19.000 0.001 0.000 0.806 711 A HN 0.290 nan 8.150 nan 0.000 0.448 712 A N -0.261 122.552 122.820 -0.011 0.000 1.883 712 A HA 0.046 4.366 4.320 -0.001 0.000 0.217 712 A C 2.374 179.959 177.584 0.001 0.000 1.186 712 A CA 2.074 54.113 52.037 0.003 0.000 0.624 712 A CB -1.309 17.688 19.000 -0.005 0.000 0.822 712 A HN 0.693 nan 8.150 nan 0.000 0.444 713 G N -0.560 108.235 108.800 -0.009 0.000 2.396 713 G HA2 -0.067 3.893 3.960 -0.001 0.000 0.214 713 G HA3 -0.067 3.893 3.960 -0.001 0.000 0.214 713 G C 1.543 176.440 174.900 -0.005 0.000 1.166 713 G CA 0.874 45.973 45.100 -0.003 0.000 0.793 713 G HN 0.448 nan 8.290 nan 0.000 0.533 714 I N 0.876 121.442 120.570 -0.007 0.000 2.226 714 I HA -0.175 3.994 4.170 -0.001 0.000 0.245 714 I C 2.762 178.875 176.117 -0.006 0.000 1.100 714 I CA 0.923 62.219 61.300 -0.006 0.000 1.374 714 I CB -0.127 37.870 38.000 -0.005 0.000 1.057 714 I HN 0.122 nan 8.210 nan 0.000 0.413 715 M N -0.125 119.472 119.600 -0.005 0.000 2.279 715 M HA -0.185 4.294 4.480 -0.001 0.000 0.264 715 M C 1.940 178.230 176.300 -0.017 0.000 1.062 715 M CA 1.487 56.782 55.300 -0.008 0.000 1.099 715 M CB -1.128 31.468 32.600 -0.006 0.000 1.394 715 M HN 0.295 nan 8.290 nan 0.000 0.426 716 E N 0.549 120.739 120.200 -0.017 0.000 2.267 716 E HA -0.185 4.165 4.350 -0.001 0.000 0.197 716 E C 0.928 177.510 176.600 -0.030 0.000 0.998 716 E CA 0.915 57.299 56.400 -0.028 0.000 0.830 716 E CB -0.409 29.276 29.700 -0.025 0.000 0.751 716 E HN 0.655 nan 8.360 nan 0.000 0.491 717 N N 0.086 118.772 118.700 -0.022 0.000 2.383 717 N HA 0.110 4.849 4.740 -0.001 0.000 0.192 717 N C -0.197 175.301 175.510 -0.020 0.000 1.141 717 N CA 0.257 53.294 53.050 -0.021 0.000 0.851 717 N CB 0.407 38.885 38.487 -0.015 0.000 0.976 717 N HN 0.050 nan 8.380 nan 0.000 0.465 718 I N 0.416 120.973 120.570 -0.022 0.000 2.412 718 I HA 0.172 4.341 4.170 -0.001 0.000 0.296 718 I C 0.436 176.536 176.117 -0.027 0.000 0.987 718 I CA -1.005 60.283 61.300 -0.020 0.000 1.180 718 I CB 1.505 39.495 38.000 -0.015 0.000 1.340 718 I HN 0.054 nan 8.210 nan 0.000 0.455 719 S N 2.888 118.573 115.700 -0.025 0.000 2.573 719 S HA 0.027 4.497 4.470 -0.001 0.000 0.277 719 S C 0.625 175.204 174.600 -0.036 0.000 1.346 719 S CA -0.382 57.800 58.200 -0.030 0.000 1.034 719 S CB 0.943 64.129 63.200 -0.023 0.000 0.879 719 S HN 0.596 nan 8.310 nan 0.000 0.528 720 D N 1.376 121.749 120.400 -0.045 0.000 2.106 720 D HA -0.121 4.518 4.640 -0.001 0.000 0.191 720 D C 1.486 177.759 176.300 -0.044 0.000 0.997 720 D CA 1.842 55.808 54.000 -0.056 0.000 0.834 720 D CB -0.380 40.379 40.800 -0.068 0.000 0.956 720 D HN 0.675 nan 8.370 nan 0.000 0.448 721 D N -0.109 120.271 120.400 -0.034 0.000 2.133 721 D HA -0.119 4.521 4.640 -0.001 0.000 0.195 721 D C 2.250 178.542 176.300 -0.014 0.000 0.997 721 D CA 0.707 54.694 54.000 -0.023 0.000 0.840 721 D CB -0.245 40.546 40.800 -0.016 0.000 0.947 721 D HN 0.116 nan 8.370 nan 0.000 0.452 722 V N 1.006 120.912 119.914 -0.013 0.000 2.358 722 V HA -0.187 3.933 4.120 -0.001 0.000 0.246 722 V C 2.462 178.553 176.094 -0.005 0.000 1.047 722 V CA 0.834 63.130 62.300 -0.006 0.000 1.035 722 V CB -0.284 31.535 31.823 -0.006 0.000 0.658 722 V HN 0.081 nan 8.190 nan 0.000 0.452 723 I N -0.156 120.405 120.570 -0.015 0.000 2.226 723 I HA -0.173 3.996 4.170 -0.001 0.000 0.245 723 I C 2.243 178.356 176.117 -0.007 0.000 1.100 723 I CA 1.501 62.792 61.300 -0.016 0.000 1.374 723 I CB -0.146 37.833 38.000 -0.034 0.000 1.057 723 I HN 0.065 nan 8.210 nan 0.000 0.413 724 V N 0.948 120.854 119.914 -0.013 0.000 2.332 724 V HA -0.243 3.877 4.120 -0.001 0.000 0.248 724 V C 2.569 178.683 176.094 0.034 0.000 1.055 724 V CA 2.012 64.313 62.300 0.003 0.000 1.038 724 V CB -1.779 30.032 31.823 -0.020 0.000 0.651 724 V HN 0.612 nan 8.190 nan 0.000 0.450 725 G N 0.428 109.241 108.800 0.022 0.000 2.440 725 G HA2 -0.236 3.724 3.960 -0.001 0.000 0.218 725 G HA3 -0.236 3.724 3.960 -0.001 0.000 0.218 725 G C 1.637 176.557 174.900 0.034 0.000 1.154 725 G CA 0.632 45.748 45.100 0.028 0.000 0.767 725 G HN 0.456 nan 8.290 nan 0.000 0.552 726 R N -0.063 120.455 120.500 0.030 0.000 2.120 726 R HA -0.045 4.294 4.340 -0.001 0.000 0.234 726 R C 2.562 178.894 176.300 0.054 0.000 1.123 726 R CA 1.161 57.280 56.100 0.031 0.000 0.975 726 R CB -1.195 29.120 30.300 0.025 0.000 0.866 726 R HN 0.408 nan 8.270 nan 0.000 0.446 727 C N 1.189 120.544 119.300 0.091 0.000 2.453 727 C HA -0.000 4.459 4.460 -0.001 0.000 0.277 727 C C 2.875 177.968 174.990 0.172 0.000 1.262 727 C CA 0.399 59.537 59.018 0.200 0.000 1.718 727 C CB -0.958 26.925 27.740 0.238 0.000 2.031 727 C HN 0.390 nan 8.230 nan 0.000 0.480 728 L N 1.136 122.436 121.223 0.129 0.000 2.046 728 L HA -0.151 4.189 4.340 -0.001 0.000 0.208 728 L C 2.934 179.821 176.870 0.029 0.000 1.077 728 L CA 1.631 56.529 54.840 0.096 0.000 0.747 728 L CB -0.964 41.148 42.059 0.088 0.000 0.896 728 L HN 0.337 nan 8.230 nan 0.000 0.432 729 A N 0.646 123.478 122.820 0.020 0.000 1.883 729 A HA -0.220 4.099 4.320 -0.001 0.000 0.217 729 A C 2.214 179.781 177.584 -0.029 0.000 1.186 729 A CA 1.792 53.826 52.037 -0.005 0.000 0.624 729 A CB -0.742 18.259 19.000 0.002 0.000 0.822 729 A HN 0.350 nan 8.150 nan 0.000 0.444 730 I N -0.643 119.901 120.570 -0.042 0.000 2.163 730 I HA -0.231 3.938 4.170 -0.001 0.000 0.243 730 I C 2.254 178.302 176.117 -0.116 0.000 1.085 730 I CA 0.821 62.051 61.300 -0.117 0.000 1.347 730 I CB -0.318 37.569 38.000 -0.189 0.000 1.044 730 I HN 0.214 nan 8.210 nan 0.000 0.408 731 L N 0.759 121.934 121.223 -0.081 0.000 2.083 731 L HA -0.194 4.145 4.340 -0.001 0.000 0.209 731 L C 2.402 179.270 176.870 -0.003 0.000 1.083 731 L CA 1.818 56.650 54.840 -0.014 0.000 0.752 731 L CB -1.154 40.961 42.059 0.094 0.000 0.899 731 L HN 0.225 nan 8.230 nan 0.000 0.433 732 K N -0.913 119.455 120.400 -0.055 0.000 2.097 732 K HA -0.099 4.220 4.320 -0.001 0.000 0.206 732 K C 2.008 178.555 176.600 -0.088 0.000 1.049 732 K CA 1.146 57.386 56.287 -0.078 0.000 0.933 732 K CB -0.429 32.029 32.500 -0.071 0.000 0.717 732 K HN 0.416 nan 8.250 nan 0.000 0.442 733 G N 1.084 109.828 108.800 -0.092 0.000 2.443 733 G HA2 -0.169 3.790 3.960 -0.001 0.000 0.219 733 G HA3 -0.169 3.790 3.960 -0.001 0.000 0.219 733 G C 1.334 176.123 174.900 -0.186 0.000 1.131 733 G CA 0.439 45.481 45.100 -0.098 0.000 0.775 733 G HN 0.046 nan 8.290 nan 0.000 0.547 734 I N -0.207 120.172 120.570 -0.317 0.000 2.296 734 I HA 0.165 4.334 4.170 -0.001 0.000 0.242 734 I C 2.109 177.780 176.117 -0.742 0.000 1.087 734 I CA 0.664 61.546 61.300 -0.697 0.000 1.393 734 I CB -1.222 36.054 38.000 -1.207 0.000 1.093 734 I HN 0.094 nan 8.210 nan 0.000 0.421 735 F N 0.897 120.687 119.950 -0.268 0.000 2.698 735 F HA 0.470 4.996 4.527 -0.001 0.000 0.295 735 F C 1.178 176.874 175.800 -0.173 0.000 1.124 735 F CA 0.376 58.256 58.000 -0.201 0.000 1.426 735 F CB -0.165 38.751 39.000 -0.140 0.000 1.120 735 F HN 0.192 nan 8.300 nan 0.000 0.583 736 G N 0.082 108.861 108.800 -0.035 0.000 2.885 736 G HA2 -0.076 3.883 3.960 -0.001 0.000 0.685 736 G HA3 -0.076 3.883 3.960 -0.001 0.000 0.685 736 G C 0.608 175.456 174.900 -0.085 0.000 1.216 736 G CA -0.372 44.694 45.100 -0.057 0.000 0.790 736 G HN 0.227 nan 8.290 nan 0.000 0.631 737 S N 0.195 115.849 115.700 -0.077 0.000 2.387 737 S HA -0.195 4.274 4.470 -0.001 0.000 0.230 737 S C 2.602 177.142 174.600 -0.101 0.000 1.035 737 S CA 2.531 60.681 58.200 -0.083 0.000 1.014 737 S CB -0.394 62.773 63.200 -0.056 0.000 0.836 737 S HN 2.245 nan 8.310 nan 0.000 0.466 738 S N 1.586 117.231 115.700 -0.091 0.000 2.496 738 S HA 0.428 4.897 4.470 -0.001 0.000 0.224 738 S C 1.856 176.374 174.600 -0.137 0.000 0.996 738 S CA 0.288 58.432 58.200 -0.093 0.000 0.927 738 S CB -0.421 62.740 63.200 -0.064 0.000 0.774 738 S HN 0.738 nan 8.310 nan 0.000 0.524 739 A N 1.075 123.790 122.820 -0.175 0.000 2.119 739 A HA 0.408 4.728 4.320 -0.001 0.000 0.216 739 A C 0.801 178.058 177.584 -0.546 0.000 1.152 739 A CA 0.336 52.221 52.037 -0.252 0.000 0.708 739 A CB -0.228 18.671 19.000 -0.169 0.000 0.805 739 A HN 0.415 nan 8.150 nan 0.000 0.460 740 V N 3.154 122.724 119.914 -0.573 0.000 2.311 740 V HA 0.288 4.407 4.120 -0.001 0.000 0.275 740 V C -2.151 173.723 176.094 -0.368 0.000 1.022 740 V CA -1.608 60.198 62.300 -0.822 0.000 0.830 740 V CB 0.987 32.400 31.823 -0.683 0.000 1.012 740 V HN 0.344 nan 8.190 nan 0.000 0.452 741 P HA 0.316 nan 4.420 nan 0.000 0.280 741 P C -0.797 176.619 177.300 0.194 0.000 1.272 741 P CA -0.697 62.409 63.100 0.011 0.000 0.819 741 P CB 0.997 32.742 31.700 0.074 0.000 1.122 742 Q N 0.616 120.517 119.800 0.168 0.000 2.364 742 Q HA 0.253 4.592 4.340 -0.001 0.000 0.267 742 Q C -1.959 174.183 176.000 0.236 0.000 0.999 742 Q CA -1.246 54.664 55.803 0.178 0.000 0.886 742 Q CB -0.636 28.158 28.738 0.093 0.000 1.243 742 Q HN 0.340 nan 8.270 nan 0.000 0.415 743 P HA 0.096 nan 4.420 nan 0.000 0.275 743 P C 0.399 177.652 177.300 -0.078 0.000 1.228 743 P CA -0.205 62.794 63.100 -0.168 0.000 0.786 743 P CB 0.832 32.305 31.700 -0.378 0.000 0.927 744 K N 1.059 121.408 120.400 -0.085 0.000 2.116 744 K HA 0.044 4.364 4.320 -0.001 0.000 0.203 744 K C 0.372 176.954 176.600 -0.030 0.000 1.052 744 K CA 1.296 57.590 56.287 0.012 0.000 0.952 744 K CB 0.276 32.851 32.500 0.125 0.000 0.729 744 K HN 0.569 nan 8.250 nan 0.000 0.446 745 E N 0.623 120.731 120.200 -0.153 0.000 2.383 745 E HA 0.239 4.588 4.350 -0.001 0.000 0.275 745 E C -0.795 175.643 176.600 -0.269 0.000 0.918 745 E CA -0.450 55.867 56.400 -0.137 0.000 0.764 745 E CB 2.349 32.038 29.700 -0.018 0.000 1.252 745 E HN 0.087 nan 8.360 nan 0.000 0.449 746 T N -2.212 112.190 114.554 -0.252 0.000 2.916 746 T HA 0.717 5.067 4.350 -0.001 0.000 0.305 746 T C -0.655 173.827 174.700 -0.362 0.000 1.119 746 T CA -0.717 61.202 62.100 -0.302 0.000 1.008 746 T CB 1.425 70.167 68.868 -0.209 0.000 1.129 746 T HN 0.170 nan 8.240 nan 0.000 0.480 747 V N 1.438 121.106 119.914 -0.410 0.000 2.808 747 V HA 0.722 4.842 4.120 -0.001 0.000 0.308 747 V C -0.891 175.044 176.094 -0.266 0.000 1.099 747 V CA -0.849 61.205 62.300 -0.411 0.000 0.920 747 V CB 2.123 33.530 31.823 -0.693 0.000 1.014 747 V HN 0.969 nan 8.190 nan 0.000 0.425 748 V N 2.813 122.605 119.914 -0.202 0.000 2.525 748 V HA 0.541 4.661 4.120 -0.001 0.000 0.299 748 V C 0.225 176.221 176.094 -0.164 0.000 1.034 748 V CA -0.507 61.699 62.300 -0.156 0.000 0.863 748 V CB 2.145 33.891 31.823 -0.127 0.000 0.999 748 V HN 1.037 nan 8.190 nan 0.000 0.423 749 S N 4.922 120.532 115.700 -0.151 0.000 2.601 749 S HA 0.643 5.112 4.470 -0.001 0.000 0.271 749 S C -0.031 174.427 174.600 -0.237 0.000 1.305 749 S CA -0.717 57.321 58.200 -0.269 0.000 1.022 749 S CB 1.097 64.169 63.200 -0.213 0.000 0.940 749 S HN 0.712 nan 8.310 nan 0.000 0.525 750 R N 1.072 121.356 120.500 -0.360 0.000 2.655 750 R HA 0.167 4.507 4.340 -0.001 0.000 0.261 750 R C -0.453 175.718 176.300 -0.215 0.000 1.624 750 R CA -0.243 55.738 56.100 -0.198 0.000 1.655 750 R CB 0.008 30.217 30.300 -0.151 0.000 1.356 750 R HN 0.855 nan 8.270 nan 0.000 0.684 751 W N 0.469 121.766 121.300 -0.005 0.000 2.350 751 W HA -0.183 4.476 4.660 -0.001 0.000 0.289 751 W C 2.300 178.828 176.519 0.016 0.000 1.215 751 W CA 0.901 58.251 57.345 0.009 0.000 1.236 751 W CB 0.031 29.484 29.460 -0.013 0.000 1.130 751 W HN 0.291 nan 8.180 nan 0.000 0.541 752 R N 0.847 121.452 120.500 0.174 0.000 2.073 752 R HA -0.036 4.303 4.340 -0.001 0.000 0.229 752 R C 2.097 178.437 176.300 0.067 0.000 1.120 752 R CA 1.819 57.994 56.100 0.125 0.000 0.967 752 R CB -0.946 29.398 30.300 0.073 0.000 0.862 752 R HN 0.026 nan 8.270 nan 0.000 0.436 753 A N 0.251 123.075 122.820 0.007 0.000 2.119 753 A HA -0.032 4.287 4.320 -0.001 0.000 0.217 753 A C 0.451 177.985 177.584 -0.084 0.000 1.153 753 A CA 0.605 52.616 52.037 -0.044 0.000 0.692 753 A CB -0.503 18.457 19.000 -0.066 0.000 0.799 753 A HN 0.379 nan 8.150 nan 0.000 0.458 754 D N 0.218 120.578 120.400 -0.067 0.000 2.382 754 D HA 0.126 4.766 4.640 -0.001 0.000 0.259 754 D C -1.726 174.501 176.300 -0.122 0.000 1.224 754 D CA -1.844 52.093 54.000 -0.103 0.000 0.894 754 D CB 1.129 41.901 40.800 -0.047 0.000 1.127 754 D HN 0.074 nan 8.370 nan 0.000 0.487 755 P HA -0.041 nan 4.420 nan 0.000 0.222 755 P C 0.725 177.785 177.300 -0.400 0.000 1.147 755 P CA 0.981 63.755 63.100 -0.544 0.000 0.790 755 P CB -0.034 31.063 31.700 -1.005 0.000 0.780 756 W N -1.335 120.018 121.300 0.088 0.000 3.290 756 W HA 0.444 5.104 4.660 -0.001 0.000 0.287 756 W C 1.780 178.392 176.519 0.155 0.000 1.288 756 W CA 0.069 57.475 57.345 0.102 0.000 1.725 756 W CB 0.013 29.532 29.460 0.098 0.000 1.103 756 W HN -0.045 nan 8.180 nan 0.000 0.670 757 A N -0.255 122.772 122.820 0.345 0.000 1.921 757 A HA 0.257 4.577 4.320 -0.001 0.000 0.202 757 A C 1.387 179.193 177.584 0.371 0.000 1.721 757 A CA -0.073 52.207 52.037 0.405 0.000 1.025 757 A CB 0.202 19.573 19.000 0.619 0.000 1.060 757 A HN -0.023 nan 8.150 nan 0.000 0.535 758 R N -0.588 120.092 120.500 0.301 0.000 3.776 758 R HA -0.135 4.204 4.340 -0.001 0.000 0.312 758 R C 0.463 177.046 176.300 0.472 0.000 1.181 758 R CA 1.284 57.542 56.100 0.264 0.000 0.836 758 R CB -2.549 27.829 30.300 0.130 0.000 1.324 758 R HN 2.047 nan 8.270 nan 0.000 0.501 759 G N -2.571 106.514 108.800 0.476 0.000 2.362 759 G HA2 0.113 4.073 3.960 -0.001 0.000 0.288 759 G HA3 0.113 4.073 3.960 -0.001 0.000 0.288 759 G C 0.323 175.189 174.900 -0.057 0.000 1.305 759 G CA 0.399 45.592 45.100 0.154 0.000 0.910 759 G HN 0.337 nan 8.290 nan 0.000 0.518 760 S N -1.302 114.056 115.700 -0.569 0.000 2.517 760 S HA 0.611 5.080 4.470 -0.001 0.000 0.228 760 S C 0.566 174.859 174.600 -0.511 0.000 1.060 760 S CA 1.625 59.461 58.200 -0.606 0.000 0.937 760 S CB -0.012 62.746 63.200 -0.737 0.000 0.840 760 S HN 2.101 nan 8.310 nan 0.000 0.546 761 Y N 0.346 120.186 120.300 -0.766 0.000 2.702 761 Y HA 0.670 5.219 4.550 -0.001 0.000 0.336 761 Y C -0.404 175.310 175.900 -0.309 0.000 1.203 761 Y CA -1.194 56.664 58.100 -0.402 0.000 1.072 761 Y CB 0.289 38.659 38.460 -0.149 0.000 1.327 761 Y HN 0.206 nan 8.280 nan 0.000 0.456 762 S N 0.901 116.829 115.700 0.380 0.000 2.596 762 S HA 0.626 5.095 4.470 -0.001 0.000 0.260 762 S C -0.906 173.964 174.600 0.450 0.000 1.336 762 S CA 0.195 58.633 58.200 0.397 0.000 0.993 762 S CB 0.539 64.026 63.200 0.479 0.000 0.923 762 S HN 1.294 nan 8.310 nan 0.000 0.567 763 Y N -2.880 117.586 120.300 0.276 0.000 2.592 763 Y HA 0.610 5.160 4.550 -0.001 0.000 0.334 763 Y C -1.391 174.650 175.900 0.234 0.000 1.136 763 Y CA -1.692 56.568 58.100 0.266 0.000 1.042 763 Y CB 0.535 39.101 38.460 0.177 0.000 1.325 763 Y HN 0.425 nan 8.280 nan 0.000 0.457 764 V N 3.400 123.558 119.914 0.407 0.000 2.387 764 V HA 0.561 4.680 4.120 -0.001 0.000 0.260 764 V C 0.797 177.081 176.094 0.316 0.000 1.054 764 V CA 0.116 62.567 62.300 0.253 0.000 0.967 764 V CB -0.459 31.564 31.823 0.333 0.000 1.036 764 V HN 0.973 nan 8.190 nan 0.000 0.481 765 A N 4.719 127.597 122.820 0.098 0.000 2.313 765 A HA 0.746 5.066 4.320 -0.001 0.000 0.261 765 A C 0.852 178.543 177.584 0.177 0.000 1.090 765 A CA 0.034 52.194 52.037 0.205 0.000 0.807 765 A CB 0.385 19.402 19.000 0.029 0.000 1.055 765 A HN 1.286 nan 8.150 nan 0.000 0.492 766 A N -0.176 122.750 122.820 0.177 0.000 2.548 766 A HA 0.473 4.793 4.320 -0.001 0.000 0.247 766 A C 1.498 179.139 177.584 0.094 0.000 1.067 766 A CA 0.851 52.967 52.037 0.131 0.000 0.757 766 A CB -0.965 18.091 19.000 0.094 0.000 0.996 766 A HN 2.717 nan 8.150 nan 0.000 0.504 767 G N 0.953 109.813 108.800 0.100 0.000 2.194 767 G HA2 -0.142 3.817 3.960 -0.001 0.000 0.236 767 G HA3 -0.142 3.817 3.960 -0.001 0.000 0.236 767 G C 0.555 175.479 174.900 0.039 0.000 0.987 767 G CA 0.677 45.815 45.100 0.063 0.000 0.635 767 G HN 1.607 nan 8.290 nan 0.000 0.520 768 S N -0.845 114.881 115.700 0.044 0.000 2.801 768 S HA 0.943 5.412 4.470 -0.001 0.000 0.312 768 S C 0.211 174.785 174.600 -0.044 0.000 1.112 768 S CA 1.145 59.327 58.200 -0.030 0.000 0.943 768 S CB 1.867 65.014 63.200 -0.089 0.000 1.269 768 S HN 2.040 nan 8.310 nan 0.000 0.558 769 S N -1.060 114.545 115.700 -0.159 0.000 2.655 769 S HA 0.468 4.937 4.470 -0.001 0.000 0.266 769 S C 0.908 175.406 174.600 -0.170 0.000 1.149 769 S CA -0.107 57.893 58.200 -0.334 0.000 0.818 769 S CB 0.385 63.226 63.200 -0.599 0.000 1.130 769 S HN 1.122 nan 8.310 nan 0.000 0.476 770 G N 0.740 109.471 108.800 -0.115 0.000 2.479 770 G HA2 -0.170 3.789 3.960 -0.001 0.000 0.220 770 G HA3 -0.170 3.789 3.960 -0.001 0.000 0.220 770 G C 0.979 175.923 174.900 0.073 0.000 1.115 770 G CA 1.094 46.269 45.100 0.124 0.000 0.757 770 G HN 0.736 nan 8.290 nan 0.000 0.560 771 N N 0.498 119.166 118.700 -0.053 0.000 2.309 771 N HA -0.049 4.691 4.740 -0.001 0.000 0.182 771 N C 1.531 177.012 175.510 -0.049 0.000 1.018 771 N CA 1.007 54.031 53.050 -0.044 0.000 0.876 771 N CB 0.001 38.448 38.487 -0.067 0.000 0.972 771 N HN 0.126 nan 8.380 nan 0.000 0.434 772 D N -0.888 119.442 120.400 -0.117 0.000 2.219 772 D HA -0.114 4.525 4.640 -0.001 0.000 0.205 772 D C 1.222 177.433 176.300 -0.149 0.000 0.970 772 D CA 0.770 54.675 54.000 -0.157 0.000 0.851 772 D CB -0.154 40.498 40.800 -0.247 0.000 0.943 772 D HN 0.389 nan 8.370 nan 0.000 0.488 773 Y N 1.374 121.652 120.300 -0.037 0.000 2.242 773 Y HA -0.119 4.430 4.550 -0.001 0.000 0.291 773 Y C 2.111 177.984 175.900 -0.045 0.000 1.137 773 Y CA 0.845 58.923 58.100 -0.037 0.000 1.181 773 Y CB -0.155 38.278 38.460 -0.044 0.000 0.989 773 Y HN -0.078 nan 8.280 nan 0.000 0.527 774 D N -0.274 120.186 120.400 0.099 0.000 2.103 774 D HA -0.123 4.517 4.640 -0.001 0.000 0.199 774 D C 2.313 178.630 176.300 0.029 0.000 0.978 774 D CA 0.993 55.018 54.000 0.041 0.000 0.829 774 D CB -0.457 40.346 40.800 0.005 0.000 0.981 774 D HN 0.261 nan 8.370 nan 0.000 0.464 775 L N 0.273 121.510 121.223 0.024 0.000 2.079 775 L HA -0.171 4.169 4.340 -0.001 0.000 0.210 775 L C 2.453 179.392 176.870 0.114 0.000 1.081 775 L CA 0.777 55.672 54.840 0.091 0.000 0.752 775 L CB -0.337 41.789 42.059 0.111 0.000 0.896 775 L HN 0.071 nan 8.230 nan 0.000 0.433 776 M N -0.833 118.767 119.600 -0.000 0.000 2.296 776 M HA -0.103 4.376 4.480 -0.001 0.000 0.265 776 M C 2.370 178.612 176.300 -0.097 0.000 1.064 776 M CA 1.532 56.764 55.300 -0.113 0.000 1.109 776 M CB -1.033 31.536 32.600 -0.051 0.000 1.396 776 M HN 0.286 nan 8.290 nan 0.000 0.430 777 A N -0.789 122.042 122.820 0.019 0.000 2.072 777 A HA -0.005 4.314 4.320 -0.001 0.000 0.216 777 A C 1.136 178.812 177.584 0.153 0.000 1.156 777 A CA 0.242 52.330 52.037 0.085 0.000 0.701 777 A CB -0.173 18.866 19.000 0.064 0.000 0.816 777 A HN 0.346 nan 8.150 nan 0.000 0.458 778 Q N 0.862 120.748 119.800 0.143 0.000 2.274 778 Q HA 0.173 4.512 4.340 -0.001 0.000 0.280 778 Q C -2.440 173.725 176.000 0.276 0.000 1.047 778 Q CA -1.493 54.420 55.803 0.183 0.000 0.907 778 Q CB 0.152 28.977 28.738 0.144 0.000 1.171 778 Q HN 0.272 nan 8.270 nan 0.000 0.381 779 P HA 0.152 nan 4.420 nan 0.000 0.272 779 P C -0.441 176.870 177.300 0.019 0.000 1.230 779 P CA -0.225 62.846 63.100 -0.047 0.000 0.788 779 P CB 0.679 32.166 31.700 -0.355 0.000 0.949 780 I N 1.201 121.709 120.570 -0.103 0.000 2.412 780 I HA 0.335 4.504 4.170 -0.001 0.000 0.296 780 I C 0.627 176.706 176.117 -0.063 0.000 0.987 780 I CA -0.367 60.925 61.300 -0.013 0.000 1.180 780 I CB 1.161 39.105 38.000 -0.094 0.000 1.340 780 I HN 0.348 nan 8.210 nan 0.000 0.455 781 T N 3.533 118.124 114.554 0.062 0.000 2.856 781 T HA 0.706 5.055 4.350 -0.001 0.000 0.283 781 T C -2.317 172.481 174.700 0.163 0.000 1.008 781 T CA -1.625 60.524 62.100 0.081 0.000 0.997 781 T CB 1.729 70.628 68.868 0.051 0.000 0.992 781 T HN 0.248 nan 8.240 nan 0.000 0.454 793 I N 0.405 120.995 120.570 0.033 0.000 2.702 793 I HA 0.330 4.499 4.170 -0.001 0.000 0.287 793 I C -2.953 173.192 176.117 0.047 0.000 1.342 793 I CA -2.036 59.275 61.300 0.019 0.000 1.063 793 I CB 2.836 40.847 38.000 0.018 0.000 1.331 793 I HN -0.178 nan 8.210 nan 0.000 0.427 794 P HA 0.163 nan 4.420 nan 0.000 0.261 794 P C -0.511 176.820 177.300 0.052 0.000 1.183 794 P CA 0.242 63.296 63.100 -0.076 0.000 0.761 794 P CB 0.664 32.295 31.700 -0.115 0.000 0.785 795 R N 2.625 123.085 120.500 -0.067 0.000 2.350 795 R HA 0.301 4.641 4.340 -0.001 0.000 0.199 795 R C -0.167 176.140 176.300 0.013 0.000 0.876 795 R CA 0.140 56.341 56.100 0.168 0.000 1.062 795 R CB -0.053 30.383 30.300 0.227 0.000 1.263 795 R HN 0.297 nan 8.270 nan 0.000 0.641 796 L N 1.593 122.585 121.223 -0.385 0.000 2.280 796 L HA 0.544 4.884 4.340 -0.001 0.000 0.287 796 L C -1.459 175.016 176.870 -0.658 0.000 1.023 796 L CA -0.381 54.183 54.840 -0.460 0.000 0.819 796 L CB 0.711 42.343 42.059 -0.711 0.000 1.212 796 L HN -0.111 nan 8.230 nan 0.000 0.420 797 F N 4.533 124.267 119.950 -0.361 0.000 2.523 797 F HA 0.649 5.176 4.527 -0.001 0.000 0.329 797 F C -0.523 174.944 175.800 -0.555 0.000 1.061 797 F CA -0.460 57.382 58.000 -0.264 0.000 0.967 797 F CB 1.540 40.490 39.000 -0.083 0.000 1.218 797 F HN 0.199 nan 8.300 nan 0.000 0.480 798 F N 0.979 121.020 119.950 0.153 0.000 2.529 798 F HA 0.769 5.296 4.527 -0.001 0.000 0.320 798 F C 0.016 175.834 175.800 0.029 0.000 1.118 798 F CA -0.745 57.293 58.000 0.064 0.000 0.915 798 F CB 1.772 40.775 39.000 0.005 0.000 1.161 798 F HN 0.596 nan 8.300 nan 0.000 0.445 799 A N 1.630 124.543 122.820 0.155 0.000 2.532 799 A HA 1.015 5.334 4.320 -0.001 0.000 0.290 799 A C -0.335 177.250 177.584 0.001 0.000 1.143 799 A CA -0.399 51.667 52.037 0.049 0.000 0.728 799 A CB 1.768 20.785 19.000 0.028 0.000 1.317 799 A HN 1.581 nan 8.150 nan 0.000 0.414 800 G N -0.522 108.251 108.800 -0.045 0.000 2.334 800 G HA2 0.434 4.394 3.960 -0.001 0.000 0.566 800 G HA3 0.434 4.394 3.960 -0.001 0.000 0.566 800 G C -0.067 174.804 174.900 -0.049 0.000 1.413 800 G CA 0.498 45.596 45.100 -0.004 0.000 0.993 800 G HN 1.599 nan 8.290 nan 0.000 0.642 801 E N -0.319 119.939 120.200 0.097 0.000 2.265 801 E HA -0.193 4.157 4.350 -0.001 0.000 0.196 801 E C 1.642 178.318 176.600 0.126 0.000 0.996 801 E CA 2.251 58.691 56.400 0.068 0.000 0.832 801 E CB -0.352 29.393 29.700 0.075 0.000 0.756 801 E HN 0.847 nan 8.360 nan 0.000 0.491 802 H N 0.059 119.237 119.070 0.179 0.000 2.543 802 H HA 0.179 4.735 4.556 -0.001 0.000 0.269 802 H C 0.655 176.174 175.328 0.318 0.000 1.005 802 H CA 1.198 57.427 56.048 0.301 0.000 1.146 802 H CB -0.307 29.581 29.762 0.210 0.000 1.353 802 H HN 0.337 nan 8.280 nan 0.000 0.595 803 T N -1.936 112.514 114.554 -0.173 0.000 3.132 803 T HA 0.288 4.638 4.350 -0.001 0.000 0.274 803 T C 0.362 175.056 174.700 -0.010 0.000 1.011 803 T CA -0.469 61.580 62.100 -0.086 0.000 0.899 803 T CB -0.425 68.343 68.868 -0.166 0.000 1.089 803 T HN 0.268 nan 8.240 nan 0.000 0.543 804 I N 1.721 122.258 120.570 -0.054 0.000 2.495 804 I HA 0.457 4.627 4.170 -0.001 0.000 0.277 804 I C 1.293 177.227 176.117 -0.306 0.000 1.045 804 I CA -1.241 59.992 61.300 -0.112 0.000 1.135 804 I CB 1.110 39.077 38.000 -0.055 0.000 1.241 804 I HN 0.004 nan 8.210 nan 0.000 0.469 805 R N 4.251 124.591 120.500 -0.267 0.000 2.119 805 R HA -0.219 4.121 4.340 -0.001 0.000 0.246 805 R C 0.858 176.867 176.300 -0.486 0.000 1.146 805 R CA 2.472 58.356 56.100 -0.360 0.000 0.962 805 R CB 0.055 30.271 30.300 -0.140 0.000 0.863 805 R HN 0.630 nan 8.270 nan 0.000 0.442 806 N N -1.168 117.165 118.700 -0.611 0.000 2.424 806 N HA -0.047 4.693 4.740 -0.001 0.000 0.178 806 N C -0.310 174.534 175.510 -1.110 0.000 1.060 806 N CA 0.851 53.264 53.050 -1.061 0.000 0.901 806 N CB 0.425 37.828 38.487 -1.806 0.000 0.979 806 N HN 0.310 nan 8.380 nan 0.000 0.451 807 Y N -0.185 119.954 120.300 -0.268 0.000 2.629 807 Y HA 0.356 4.906 4.550 -0.001 0.000 0.282 807 Y C -2.334 173.402 175.900 -0.274 0.000 0.994 807 Y CA -2.278 55.714 58.100 -0.180 0.000 1.126 807 Y CB 0.443 38.886 38.460 -0.028 0.000 1.187 807 Y HN -0.056 nan 8.280 nan 0.000 0.600 808 P HA 0.118 nan 4.420 nan 0.000 0.272 808 P C 0.505 177.688 177.300 -0.196 0.000 1.240 808 P CA 0.711 63.633 63.100 -0.295 0.000 0.791 808 P CB 1.480 32.817 31.700 -0.605 0.000 0.978 809 A N -0.253 122.491 122.820 -0.127 0.000 2.791 809 A HA -0.108 4.212 4.320 -0.001 0.000 0.292 809 A C 0.503 177.790 177.584 -0.496 0.000 1.487 809 A CA 1.434 53.316 52.037 -0.258 0.000 0.760 809 A CB -2.827 16.034 19.000 -0.233 0.000 1.031 809 A HN 0.943 nan 8.150 nan 0.000 0.503 810 T N -5.511 108.808 114.554 -0.392 0.000 2.843 810 T HA 0.619 4.969 4.350 -0.001 0.000 0.302 810 T C 0.750 175.222 174.700 -0.381 0.000 1.232 810 T CA -0.152 61.670 62.100 -0.463 0.000 1.009 810 T CB 1.444 69.851 68.868 -0.768 0.000 1.254 810 T HN 0.836 nan 8.240 nan 0.000 0.504 811 V N 1.637 121.383 119.914 -0.280 0.000 2.453 811 V HA -0.144 3.975 4.120 -0.001 0.000 0.247 811 V C 2.737 178.769 176.094 -0.104 0.000 1.048 811 V CA 2.035 64.231 62.300 -0.173 0.000 1.049 811 V CB -1.322 30.408 31.823 -0.155 0.000 0.672 811 V HN 1.037 nan 8.190 nan 0.000 0.457 812 H N 0.410 119.497 119.070 0.029 0.000 2.387 812 H HA -0.042 4.513 4.556 -0.001 0.000 0.299 812 H C 2.382 177.687 175.328 -0.039 0.000 1.090 812 H CA 1.688 57.744 56.048 0.014 0.000 1.332 812 H CB -0.822 28.990 29.762 0.084 0.000 1.386 812 H HN 0.382 nan 8.280 nan 0.000 0.516 813 G N 1.144 109.754 108.800 -0.316 0.000 2.421 813 G HA2 -0.202 3.758 3.960 -0.001 0.000 0.216 813 G HA3 -0.202 3.758 3.960 -0.001 0.000 0.216 813 G C 2.072 176.922 174.900 -0.084 0.000 1.171 813 G CA 1.622 46.653 45.100 -0.115 0.000 0.775 813 G HN 0.638 nan 8.290 nan 0.000 0.543 814 A N 0.534 123.292 122.820 -0.102 0.000 1.883 814 A HA -0.016 4.303 4.320 -0.001 0.000 0.217 814 A C 2.401 179.959 177.584 -0.044 0.000 1.186 814 A CA 1.770 53.774 52.037 -0.055 0.000 0.624 814 A CB -0.526 18.445 19.000 -0.049 0.000 0.822 814 A HN 0.473 nan 8.150 nan 0.000 0.444 815 L N -0.332 120.866 121.223 -0.041 0.000 1.989 815 L HA -0.152 4.188 4.340 -0.001 0.000 0.211 815 L C 2.384 179.208 176.870 -0.077 0.000 1.071 815 L CA 1.833 56.652 54.840 -0.035 0.000 0.749 815 L CB -0.318 41.740 42.059 -0.002 0.000 0.890 815 L HN 0.422 nan 8.230 nan 0.000 0.431 816 L N -0.608 120.558 121.223 -0.095 0.000 2.083 816 L HA -0.198 4.142 4.340 -0.001 0.000 0.209 816 L C 2.776 179.599 176.870 -0.078 0.000 1.083 816 L CA 1.402 56.168 54.840 -0.124 0.000 0.752 816 L CB -0.892 41.090 42.059 -0.129 0.000 0.899 816 L HN 0.541 nan 8.230 nan 0.000 0.433 817 S N -0.077 115.593 115.700 -0.050 0.000 2.382 817 S HA -0.127 4.343 4.470 -0.001 0.000 0.228 817 S C 2.099 176.680 174.600 -0.032 0.000 1.027 817 S CA 1.023 59.203 58.200 -0.032 0.000 0.991 817 S CB -1.051 62.129 63.200 -0.033 0.000 0.823 817 S HN 0.423 nan 8.310 nan 0.000 0.469 818 G N 2.092 110.867 108.800 -0.042 0.000 2.421 818 G HA2 -0.019 3.940 3.960 -0.001 0.000 0.216 818 G HA3 -0.019 3.940 3.960 -0.001 0.000 0.216 818 G C 1.497 176.358 174.900 -0.065 0.000 1.171 818 G CA 0.905 45.977 45.100 -0.047 0.000 0.775 818 G HN 0.508 nan 8.290 nan 0.000 0.543 819 L N -0.112 121.060 121.223 -0.085 0.000 2.042 819 L HA -0.077 4.263 4.340 -0.001 0.000 0.210 819 L C 2.927 179.750 176.870 -0.078 0.000 1.076 819 L CA 1.354 56.133 54.840 -0.102 0.000 0.749 819 L CB -0.477 41.480 42.059 -0.170 0.000 0.893 819 L HN 0.205 nan 8.230 nan 0.000 0.432 820 R N 0.315 120.776 120.500 -0.065 0.000 2.080 820 R HA -0.180 4.160 4.340 -0.001 0.000 0.236 820 R C 2.247 178.525 176.300 -0.037 0.000 1.137 820 R CA 1.594 57.668 56.100 -0.043 0.000 0.943 820 R CB -0.042 30.250 30.300 -0.013 0.000 0.846 820 R HN 0.270 nan 8.270 nan 0.000 0.431 821 E N 0.416 120.605 120.200 -0.019 0.000 2.110 821 E HA -0.143 4.207 4.350 -0.001 0.000 0.193 821 E C 1.889 178.441 176.600 -0.080 0.000 0.988 821 E CA 1.182 57.572 56.400 -0.017 0.000 0.804 821 E CB -0.363 29.343 29.700 0.010 0.000 0.745 821 E HN 0.468 nan 8.360 nan 0.000 0.458 822 A N 1.179 123.961 122.820 -0.063 0.000 1.892 822 A HA -0.163 4.157 4.320 -0.001 0.000 0.218 822 A C 2.514 180.141 177.584 0.070 0.000 1.188 822 A CA 2.259 54.283 52.037 -0.021 0.000 0.631 822 A CB -1.236 17.734 19.000 -0.050 0.000 0.822 822 A HN 0.355 nan 8.150 nan 0.000 0.447 823 G N -0.938 107.866 108.800 0.007 0.000 2.421 823 G HA2 -0.262 3.697 3.960 -0.001 0.000 0.216 823 G HA3 -0.262 3.697 3.960 -0.001 0.000 0.216 823 G C 1.751 176.546 174.900 -0.175 0.000 1.171 823 G CA 1.063 46.077 45.100 -0.144 0.000 0.775 823 G HN 0.574 nan 8.290 nan 0.000 0.543 824 R N 0.004 120.434 120.500 -0.117 0.000 2.081 824 R HA 0.054 4.394 4.340 -0.001 0.000 0.235 824 R C 2.538 178.792 176.300 -0.077 0.000 1.131 824 R CA 1.087 57.157 56.100 -0.050 0.000 0.960 824 R CB -0.301 30.040 30.300 0.068 0.000 0.856 824 R HN 0.427 nan 8.270 nan 0.000 0.436 825 I N 0.586 121.036 120.570 -0.200 0.000 2.252 825 I HA -0.205 3.965 4.170 -0.001 0.000 0.245 825 I C 2.560 178.714 176.117 0.061 0.000 1.102 825 I CA 1.167 62.320 61.300 -0.245 0.000 1.385 825 I CB -0.335 37.403 38.000 -0.437 0.000 1.064 825 I HN 0.274 nan 8.210 nan 0.000 0.414 826 A N 0.496 123.326 122.820 0.017 0.000 1.902 826 A HA -0.242 4.077 4.320 -0.001 0.000 0.217 826 A C 1.948 179.501 177.584 -0.053 0.000 1.181 826 A CA 2.018 54.061 52.037 0.011 0.000 0.623 826 A CB -0.614 18.317 19.000 -0.114 0.000 0.818 826 A HN 0.330 nan 8.150 nan 0.000 0.443 827 D N -0.501 119.837 120.400 -0.103 0.000 2.149 827 D HA -0.141 4.498 4.640 -0.001 0.000 0.198 827 D C 2.153 178.393 176.300 -0.099 0.000 0.990 827 D CA 1.211 55.150 54.000 -0.102 0.000 0.839 827 D CB -0.185 40.561 40.800 -0.090 0.000 0.948 827 D HN 0.398 nan 8.370 nan 0.000 0.460 828 Q N -0.744 118.979 119.800 -0.127 0.000 2.049 828 Q HA -0.027 4.312 4.340 -0.001 0.000 0.198 828 Q C 2.226 177.938 176.000 -0.480 0.000 0.971 828 Q CA 0.850 56.463 55.803 -0.317 0.000 0.833 828 Q CB -0.338 28.137 28.738 -0.438 0.000 0.896 828 Q HN 0.388 nan 8.270 nan 0.000 0.434 829 F N -0.660 119.277 119.950 -0.021 0.000 2.374 829 F HA -0.008 4.518 4.527 -0.001 0.000 0.291 829 F C 1.686 177.473 175.800 -0.022 0.000 1.084 829 F CA 0.339 58.331 58.000 -0.014 0.000 1.413 829 F CB 0.033 39.021 39.000 -0.021 0.000 1.099 829 F HN -0.015 nan 8.300 nan 0.000 0.534 830 L N -0.503 120.781 121.223 0.103 0.000 2.607 830 L HA 0.408 4.748 4.340 -0.001 0.000 0.228 830 L C 1.086 177.944 176.870 -0.021 0.000 1.123 830 L CA 0.242 55.103 54.840 0.035 0.000 0.890 830 L CB -0.802 41.261 42.059 0.007 0.000 1.103 830 L HN 0.195 nan 8.230 nan 0.000 0.468 831 G N 0.000 108.775 108.800 -0.042 0.000 5.446 831 G HA2 0.000 3.959 3.960 -0.001 0.000 0.244 831 G HA3 0.000 3.959 3.960 -0.001 0.000 0.244 831 G CA 0.000 45.066 45.100 -0.056 0.000 0.502 831 G HN 0.000 nan 8.290 nan 0.000 0.925