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 1b89_1_A DATA FIRST_RESID 1182 DATA SEQUENCE RLAELEEFIN GPNXXXXXXX XXXXXXXXMY DAAKLLYNNV SNFGRLASTL DATA SEQUENCE VHLGEYQAAV DGARKANSTR TWKEVCFACV DGKEFRLAQX CGLHIVVHAD DATA SEQUENCE ELEELINYYQ DRGYFEELIT XLEAALGLER AHXGXFTELA ILYSKFKPQK DATA SEQUENCE XREHLELFWS RVNIPKVLRA AEQAHLWAEL VFLYDKYEEY DNAIITXXNH DATA SEQUENCE PTDAWKEGQF KDIITKVANV ELYYRAIQFY LEFKPLLLND LLXVLSPRLD DATA SEQUENCE HTRAVNYFSK VKQLPLVKPY LRSVQNHNNK SVNESLNNLF ITEEDYQALR DATA SEQUENCE TSIDAYDNFD NISLAQRLEK HELIEFRRIA AYLFKG 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 1182 R HA 0.000 nan 4.340 nan 0.000 0.208 1182 R C 0.000 176.292 176.300 -0.014 0.000 0.893 1182 R CA 0.000 56.092 56.100 -0.013 0.000 0.921 1182 R CB 0.000 30.294 30.300 -0.010 0.000 0.687 1183 L N 1.644 122.860 121.223 -0.012 0.000 2.353 1183 L HA 0.537 4.878 4.340 0.001 0.000 0.220 1183 L C 2.901 179.763 176.870 -0.014 0.000 1.133 1183 L CA 3.026 57.859 54.840 -0.012 0.000 0.798 1183 L CB -1.989 40.065 42.059 -0.010 0.000 0.922 1183 L HN 1.458 nan 8.230 nan 0.000 0.445 1184 A N -0.093 122.718 122.820 -0.015 0.000 1.917 1184 A HA -0.103 4.218 4.320 0.001 0.000 0.219 1184 A C 2.324 179.896 177.584 -0.021 0.000 1.182 1184 A CA 2.766 54.793 52.037 -0.017 0.000 0.633 1184 A CB -0.666 18.325 19.000 -0.017 0.000 0.819 1184 A HN 1.127 nan 8.150 nan 0.000 0.448 1185 E N -1.725 118.460 120.200 -0.024 0.000 2.447 1185 E HA 0.460 4.811 4.350 0.001 0.000 0.204 1185 E C 2.053 178.636 176.600 -0.029 0.000 0.977 1185 E CA 0.942 57.324 56.400 -0.030 0.000 0.950 1185 E CB -1.296 28.381 29.700 -0.038 0.000 0.975 1185 E HN 1.153 nan 8.360 nan 0.000 0.496 1186 L N 0.348 121.557 121.223 -0.023 0.000 2.083 1186 L HA 0.306 4.647 4.340 0.001 0.000 0.209 1186 L C 2.572 179.431 176.870 -0.018 0.000 1.083 1186 L CA 2.856 57.685 54.840 -0.020 0.000 0.752 1186 L CB -1.520 40.531 42.059 -0.014 0.000 0.899 1186 L HN 0.686 nan 8.230 nan 0.000 0.433 1187 E N -0.501 119.689 120.200 -0.017 0.000 2.476 1187 E HA 0.409 4.760 4.350 0.001 0.000 0.196 1187 E C 1.698 178.288 176.600 -0.018 0.000 1.029 1187 E CA 1.369 57.760 56.400 -0.016 0.000 0.896 1187 E CB -0.571 29.121 29.700 -0.013 0.000 1.012 1187 E HN 0.930 nan 8.360 nan 0.000 0.475 1188 E N -1.240 118.946 120.200 -0.022 0.000 2.152 1188 E HA 0.340 4.691 4.350 0.001 0.000 0.195 1188 E C 2.172 178.755 176.600 -0.029 0.000 0.934 1188 E CA 0.891 57.276 56.400 -0.024 0.000 0.869 1188 E CB -0.953 28.731 29.700 -0.026 0.000 0.842 1188 E HN 0.972 nan 8.360 nan 0.000 0.472 1189 F N 0.962 120.892 119.950 -0.035 0.000 2.325 1189 F HA 0.402 4.929 4.527 0.001 0.000 0.299 1189 F C 2.573 178.352 175.800 -0.035 0.000 1.090 1189 F CA 1.440 59.415 58.000 -0.041 0.000 1.392 1189 F CB -0.626 38.342 39.000 -0.054 0.000 1.053 1189 F HN 0.499 nan 8.300 nan 0.000 0.521 1190 I N 0.735 121.288 120.570 -0.029 0.000 3.864 1190 I HA 0.474 4.645 4.170 0.001 0.000 0.326 1190 I C 1.187 177.293 176.117 -0.019 0.000 1.444 1190 I CA 1.053 62.339 61.300 -0.023 0.000 1.195 1190 I CB -2.168 35.821 38.000 -0.019 0.000 1.124 1190 I HN 0.596 nan 8.210 nan 0.000 0.407 1191 N N -0.207 118.481 118.700 -0.021 0.000 2.564 1191 N HA 0.578 5.318 4.740 0.001 0.000 0.202 1191 N C 1.188 176.688 175.510 -0.018 0.000 1.052 1191 N CA 0.746 53.785 53.050 -0.018 0.000 0.872 1191 N CB 0.518 38.995 38.487 -0.018 0.000 1.303 1191 N HN 1.157 nan 8.380 nan 0.000 0.440 1192 G N -2.790 105.998 108.800 -0.021 0.000 2.608 1192 G HA2 0.583 4.544 3.960 0.001 0.000 0.291 1192 G HA3 0.583 4.544 3.960 0.001 0.000 0.291 1192 G C -1.314 173.571 174.900 -0.024 0.000 1.425 1192 G CA 0.603 45.691 45.100 -0.020 0.000 0.787 1192 G HN 0.347 nan 8.290 nan 0.000 0.484 1193 P HA 0.488 nan 4.420 nan 0.000 0.217 1193 P C 0.696 177.980 177.300 -0.027 0.000 1.154 1193 P CA 2.900 65.985 63.100 -0.025 0.000 0.841 1193 P CB -0.461 31.226 31.700 -0.022 0.000 0.788 1211 Y N -1.314 118.999 120.300 0.021 0.000 2.457 1211 Y HA 0.111 4.661 4.550 0.001 0.000 0.292 1211 Y C 1.677 177.601 175.900 0.039 0.000 1.125 1211 Y CA 2.101 60.226 58.100 0.043 0.000 1.254 1211 Y CB -0.054 38.488 38.460 0.136 0.000 1.012 1211 Y HN 0.834 nan 8.280 nan 0.000 0.555 1212 D N -0.958 119.455 120.400 0.022 0.000 2.327 1212 D HA 0.169 4.809 4.640 0.001 0.000 0.205 1212 D C 2.220 178.517 176.300 -0.005 0.000 0.989 1212 D CA 1.113 55.119 54.000 0.011 0.000 0.873 1212 D CB 0.058 40.861 40.800 0.005 0.000 0.955 1212 D HN 0.493 nan 8.370 nan 0.000 0.515 1213 A N 0.673 123.482 122.820 -0.019 0.000 1.861 1213 A HA 0.193 4.514 4.320 0.001 0.000 0.212 1213 A C 2.237 179.778 177.584 -0.070 0.000 1.199 1213 A CA 1.376 53.387 52.037 -0.043 0.000 0.613 1213 A CB -0.670 18.298 19.000 -0.052 0.000 0.846 1213 A HN 0.154 nan 8.150 nan 0.000 0.446 1214 A N 0.081 122.849 122.820 -0.087 0.000 2.024 1214 A HA -0.178 4.142 4.320 0.001 0.000 0.220 1214 A C 2.056 179.626 177.584 -0.023 0.000 1.164 1214 A CA 2.024 53.957 52.037 -0.174 0.000 0.643 1214 A CB -0.501 18.412 19.000 -0.145 0.000 0.806 1214 A HN 0.580 nan 8.150 nan 0.000 0.451 1215 K N -0.122 120.305 120.400 0.045 0.000 2.103 1215 K HA -0.125 4.196 4.320 0.001 0.000 0.207 1215 K C 1.696 178.328 176.600 0.054 0.000 1.048 1215 K CA 1.625 57.961 56.287 0.082 0.000 0.930 1215 K CB -0.285 32.244 32.500 0.048 0.000 0.716 1215 K HN 0.536 nan 8.250 nan 0.000 0.444 1216 L N 0.481 121.706 121.223 0.004 0.000 2.127 1216 L HA -0.086 4.255 4.340 0.001 0.000 0.203 1216 L C 2.423 179.270 176.870 -0.037 0.000 1.080 1216 L CA 0.503 55.336 54.840 -0.010 0.000 0.768 1216 L CB -0.496 41.548 42.059 -0.024 0.000 0.924 1216 L HN 0.154 nan 8.230 nan 0.000 0.444 1217 L N -0.873 120.290 121.223 -0.100 0.000 1.971 1217 L HA -0.277 4.064 4.340 0.001 0.000 0.215 1217 L C 2.698 179.487 176.870 -0.135 0.000 1.072 1217 L CA 1.680 56.415 54.840 -0.174 0.000 0.758 1217 L CB -0.814 41.049 42.059 -0.326 0.000 0.889 1217 L HN 0.163 nan 8.230 nan 0.000 0.433 1218 Y N -0.107 120.147 120.300 -0.076 0.000 2.384 1218 Y HA -0.234 4.317 4.550 0.001 0.000 0.289 1218 Y C 2.411 178.230 175.900 -0.135 0.000 1.152 1218 Y CA 1.384 59.419 58.100 -0.107 0.000 1.258 1218 Y CB -0.822 37.584 38.460 -0.089 0.000 0.979 1218 Y HN 0.331 nan 8.280 nan 0.000 0.549 1219 N N 0.549 119.285 118.700 0.060 0.000 2.171 1219 N HA -0.158 4.582 4.740 0.001 0.000 0.184 1219 N C 1.436 176.930 175.510 -0.027 0.000 1.021 1219 N CA 1.509 54.575 53.050 0.027 0.000 0.854 1219 N CB -0.282 38.236 38.487 0.051 0.000 0.994 1219 N HN 0.555 nan 8.380 nan 0.000 0.426 1220 N N -0.936 117.743 118.700 -0.036 0.000 2.207 1220 N HA -0.068 4.673 4.740 0.001 0.000 0.182 1220 N C 1.376 176.839 175.510 -0.078 0.000 1.020 1220 N CA 0.858 53.881 53.050 -0.045 0.000 0.858 1220 N CB -0.427 38.036 38.487 -0.039 0.000 0.991 1220 N HN -0.060 nan 8.380 nan 0.000 0.427 1221 V N 0.093 119.954 119.914 -0.088 0.000 2.759 1221 V HA -0.088 4.033 4.120 0.001 0.000 0.256 1221 V C 0.474 176.453 176.094 -0.192 0.000 1.080 1221 V CA 1.028 63.267 62.300 -0.101 0.000 1.101 1221 V CB -1.046 30.739 31.823 -0.064 0.000 0.698 1221 V HN 0.527 nan 8.190 nan 0.000 0.477 1222 S N 0.771 116.297 115.700 -0.290 0.000 3.711 1222 S HA -0.216 4.254 4.470 0.001 0.000 0.374 1222 S C 0.373 174.422 174.600 -0.917 0.000 0.969 1222 S CA 0.824 58.589 58.200 -0.725 0.000 1.198 1222 S CB -1.350 61.473 63.200 -0.630 0.000 0.903 1222 S HN 0.822 nan 8.310 nan 0.000 0.493 1223 N N 0.645 119.039 118.700 -0.511 0.000 3.322 1223 N HA 0.449 5.190 4.740 0.001 0.000 0.290 1223 N C 0.673 175.980 175.510 -0.339 0.000 1.297 1223 N CA -0.668 52.172 53.050 -0.349 0.000 1.167 1223 N CB -0.338 38.069 38.487 -0.133 0.000 1.434 1223 N HN 0.233 nan 8.380 nan 0.000 0.526 1224 F N 0.142 120.026 119.950 -0.110 0.000 2.225 1224 F HA -0.072 4.455 4.527 0.001 0.000 0.302 1224 F C 2.379 178.052 175.800 -0.212 0.000 1.068 1224 F CA 1.152 59.063 58.000 -0.149 0.000 1.327 1224 F CB -0.991 37.920 39.000 -0.147 0.000 1.043 1224 F HN 0.462 nan 8.300 nan 0.000 0.506 1225 G N -0.150 108.601 108.800 -0.081 0.000 2.469 1225 G HA2 -0.258 3.703 3.960 0.001 0.000 0.219 1225 G HA3 -0.258 3.703 3.960 0.001 0.000 0.219 1225 G C 1.892 176.648 174.900 -0.240 0.000 1.150 1225 G CA 0.873 45.878 45.100 -0.158 0.000 0.763 1225 G HN 0.332 nan 8.290 nan 0.000 0.561 1226 R N -0.935 119.323 120.500 -0.403 0.000 2.282 1226 R HA 0.277 4.618 4.340 0.001 0.000 0.195 1226 R C 2.286 178.325 176.300 -0.434 0.000 0.909 1226 R CA -0.020 55.728 56.100 -0.587 0.000 1.039 1226 R CB -0.156 29.389 30.300 -1.257 0.000 1.015 1226 R HN 0.356 nan 8.270 nan 0.000 0.513 1227 L N 1.056 122.123 121.223 -0.259 0.000 2.046 1227 L HA -0.068 4.273 4.340 0.001 0.000 0.208 1227 L C 2.187 179.049 176.870 -0.014 0.000 1.077 1227 L CA 2.027 56.852 54.840 -0.026 0.000 0.747 1227 L CB -0.386 41.734 42.059 0.101 0.000 0.896 1227 L HN 0.076 nan 8.230 nan 0.000 0.432 1228 A N -1.418 121.375 122.820 -0.044 0.000 1.897 1228 A HA -0.159 4.161 4.320 0.001 0.000 0.215 1228 A C 2.490 180.043 177.584 -0.052 0.000 1.181 1228 A CA 1.596 53.598 52.037 -0.059 0.000 0.620 1228 A CB -1.128 17.794 19.000 -0.130 0.000 0.821 1228 A HN 0.561 nan 8.150 nan 0.000 0.443 1229 S N -0.023 115.623 115.700 -0.091 0.000 2.359 1229 S HA -0.211 4.259 4.470 0.001 0.000 0.224 1229 S C 2.257 176.853 174.600 -0.007 0.000 1.035 1229 S CA 2.842 61.003 58.200 -0.065 0.000 1.018 1229 S CB -0.827 62.299 63.200 -0.124 0.000 0.876 1229 S HN 0.821 nan 8.310 nan 0.000 0.448 1230 T N 0.325 114.863 114.554 -0.026 0.000 2.904 1230 T HA 0.087 4.437 4.350 0.001 0.000 0.267 1230 T C 1.935 176.676 174.700 0.068 0.000 1.059 1230 T CA 1.150 63.270 62.100 0.032 0.000 1.137 1230 T CB -0.706 68.194 68.868 0.053 0.000 0.879 1230 T HN 0.391 nan 8.240 nan 0.000 0.467 1231 L N 0.542 121.786 121.223 0.034 0.000 2.079 1231 L HA -0.080 4.261 4.340 0.001 0.000 0.210 1231 L C 2.941 179.801 176.870 -0.016 0.000 1.081 1231 L CA 0.985 55.832 54.840 0.012 0.000 0.752 1231 L CB -0.628 41.436 42.059 0.009 0.000 0.896 1231 L HN 0.193 nan 8.230 nan 0.000 0.433 1232 V N -0.868 119.067 119.914 0.035 0.000 2.270 1232 V HA -0.323 3.798 4.120 0.001 0.000 0.245 1232 V C 2.444 178.549 176.094 0.020 0.000 1.043 1232 V CA 1.823 64.163 62.300 0.067 0.000 1.014 1232 V CB -0.749 31.180 31.823 0.177 0.000 0.645 1232 V HN 0.541 nan 8.190 nan 0.000 0.447 1233 H N -0.587 118.476 119.070 -0.011 0.000 2.566 1233 H HA -0.079 4.478 4.556 0.001 0.000 0.285 1233 H C 1.614 176.912 175.328 -0.051 0.000 1.041 1233 H CA 1.105 57.146 56.048 -0.012 0.000 1.207 1233 H CB 0.112 29.877 29.762 0.004 0.000 1.353 1233 H HN 0.365 nan 8.280 nan 0.000 0.604 1234 L N -0.962 120.250 121.223 -0.019 0.000 2.906 1234 L HA 0.210 4.550 4.340 0.001 0.000 0.255 1234 L C 1.348 178.093 176.870 -0.209 0.000 1.166 1234 L CA 0.606 55.404 54.840 -0.070 0.000 0.977 1234 L CB 0.357 42.410 42.059 -0.010 0.000 1.313 1234 L HN 0.398 nan 8.230 nan 0.000 0.549 1235 G N 0.558 109.123 108.800 -0.391 0.000 2.166 1235 G HA2 -0.314 3.646 3.960 0.001 0.000 0.260 1235 G HA3 -0.314 3.646 3.960 0.001 0.000 0.260 1235 G C 0.288 174.790 174.900 -0.665 0.000 0.986 1235 G CA 0.520 45.195 45.100 -0.708 0.000 0.683 1235 G HN 0.566 nan 8.290 nan 0.000 0.527 1236 E N 0.293 120.250 120.200 -0.405 0.000 2.341 1236 E HA 0.340 4.690 4.350 0.001 0.000 0.279 1236 E C 1.048 177.571 176.600 -0.128 0.000 1.395 1236 E CA -0.776 55.498 56.400 -0.209 0.000 1.648 1236 E CB -0.003 29.637 29.700 -0.099 0.000 1.524 1236 E HN 0.514 nan 8.360 nan 0.000 0.462 1237 Y N 1.200 121.492 120.300 -0.013 0.000 1.956 1237 Y HA -0.408 4.142 4.550 0.001 0.000 0.258 1237 Y C 2.645 178.542 175.900 -0.006 0.000 1.152 1237 Y CA 1.972 60.064 58.100 -0.015 0.000 1.093 1237 Y CB -0.958 37.483 38.460 -0.030 0.000 0.945 1237 Y HN 0.355 nan 8.280 nan 0.000 0.488 1238 Q N -0.126 119.781 119.800 0.178 0.000 2.224 1238 Q HA -0.315 4.025 4.340 0.001 0.000 0.213 1238 Q C 2.166 178.207 176.000 0.067 0.000 0.998 1238 Q CA 2.323 58.187 55.803 0.101 0.000 0.895 1238 Q CB -0.390 28.390 28.738 0.070 0.000 0.926 1238 Q HN 0.522 nan 8.270 nan 0.000 0.417 1239 A N 0.049 122.897 122.820 0.046 0.000 1.930 1239 A HA 0.101 4.422 4.320 0.001 0.000 0.215 1239 A C 2.241 179.831 177.584 0.011 0.000 1.176 1239 A CA 1.157 53.206 52.037 0.020 0.000 0.632 1239 A CB -0.755 18.251 19.000 0.010 0.000 0.819 1239 A HN 0.566 nan 8.150 nan 0.000 0.445 1240 A N -0.447 122.392 122.820 0.032 0.000 2.024 1240 A HA -0.010 4.310 4.320 0.001 0.000 0.220 1240 A C 2.033 179.605 177.584 -0.021 0.000 1.164 1240 A CA 1.719 53.766 52.037 0.017 0.000 0.643 1240 A CB -0.687 18.358 19.000 0.074 0.000 0.806 1240 A HN 0.378 nan 8.150 nan 0.000 0.451 1241 V N 0.310 120.240 119.914 0.027 0.000 2.970 1241 V HA -0.139 3.981 4.120 0.001 0.000 0.260 1241 V C 1.661 177.736 176.094 -0.031 0.000 1.100 1241 V CA 1.879 64.206 62.300 0.043 0.000 1.122 1241 V CB -0.548 31.365 31.823 0.149 0.000 0.721 1241 V HN 0.492 nan 8.190 nan 0.000 0.483 1242 D N 0.804 121.172 120.400 -0.053 0.000 2.162 1242 D HA -0.028 4.612 4.640 0.001 0.000 0.205 1242 D C 2.263 178.427 176.300 -0.228 0.000 0.964 1242 D CA 1.411 55.351 54.000 -0.100 0.000 0.847 1242 D CB -0.532 40.229 40.800 -0.066 0.000 0.988 1242 D HN 0.415 nan 8.370 nan 0.000 0.480 1243 G N 0.899 109.582 108.800 -0.195 0.000 2.422 1243 G HA2 -0.184 3.777 3.960 0.001 0.000 0.218 1243 G HA3 -0.184 3.777 3.960 0.001 0.000 0.218 1243 G C 1.655 176.342 174.900 -0.355 0.000 1.146 1243 G CA 1.075 46.043 45.100 -0.219 0.000 0.769 1243 G HN 0.378 nan 8.290 nan 0.000 0.547 1244 A N 0.289 122.822 122.820 -0.478 0.000 2.015 1244 A HA 0.091 4.412 4.320 0.001 0.000 0.219 1244 A C 2.267 179.106 177.584 -1.242 0.000 1.163 1244 A CA 1.620 53.120 52.037 -0.896 0.000 0.646 1244 A CB -0.341 18.021 19.000 -1.064 0.000 0.806 1244 A HN 0.375 nan 8.150 nan 0.000 0.448 1245 R N 0.078 120.099 120.500 -0.799 0.000 2.055 1245 R HA -0.099 4.241 4.340 0.001 0.000 0.228 1245 R C 2.028 178.124 176.300 -0.341 0.000 1.143 1245 R CA 1.729 57.600 56.100 -0.382 0.000 0.945 1245 R CB -0.277 29.976 30.300 -0.079 0.000 0.841 1245 R HN 0.468 nan 8.270 nan 0.000 0.429 1246 K N 0.087 120.207 120.400 -0.467 0.000 2.063 1246 K HA -0.112 4.208 4.320 0.001 0.000 0.208 1246 K C 2.030 178.400 176.600 -0.382 0.000 1.048 1246 K CA 1.497 57.416 56.287 -0.615 0.000 0.928 1246 K CB -0.185 31.441 32.500 -1.457 0.000 0.713 1246 K HN 0.242 nan 8.250 nan 0.000 0.442 1247 A N 1.763 124.394 122.820 -0.315 0.000 2.070 1247 A HA -0.188 4.132 4.320 0.001 0.000 0.220 1247 A C 0.869 178.368 177.584 -0.143 0.000 1.159 1247 A CA 1.035 53.012 52.037 -0.100 0.000 0.656 1247 A CB -0.690 18.211 19.000 -0.165 0.000 0.800 1247 A HN 0.545 nan 8.150 nan 0.000 0.453 1248 N N -0.540 118.032 118.700 -0.213 0.000 2.702 1248 N HA -0.182 4.558 4.740 0.001 0.000 0.261 1248 N C -0.316 175.197 175.510 0.004 0.000 0.965 1248 N CA 0.981 53.999 53.050 -0.055 0.000 0.795 1248 N CB -1.218 37.271 38.487 0.003 0.000 0.909 1248 N HN 0.487 nan 8.380 nan 0.000 0.546 1249 S N -1.067 114.583 115.700 -0.084 0.000 2.521 1249 S HA 0.554 5.024 4.470 0.001 0.000 0.295 1249 S C 1.228 175.919 174.600 0.151 0.000 1.098 1249 S CA -0.032 58.172 58.200 0.006 0.000 0.999 1249 S CB 1.382 64.540 63.200 -0.071 0.000 1.034 1249 S HN 0.271 nan 8.310 nan 0.000 0.483 1250 T N 4.670 119.353 114.554 0.216 0.000 2.639 1250 T HA -0.125 4.226 4.350 0.001 0.000 0.261 1250 T C 1.936 176.721 174.700 0.141 0.000 1.053 1250 T CA 1.727 64.002 62.100 0.291 0.000 1.158 1250 T CB -0.413 68.583 68.868 0.213 0.000 0.863 1250 T HN 0.847 nan 8.240 nan 0.000 0.413 1251 R N 1.222 121.744 120.500 0.036 0.000 2.211 1251 R HA -0.100 4.240 4.340 0.001 0.000 0.240 1251 R C 1.959 178.216 176.300 -0.071 0.000 1.144 1251 R CA 1.686 57.767 56.100 -0.032 0.000 0.992 1251 R CB -1.064 29.214 30.300 -0.037 0.000 0.869 1251 R HN 0.246 nan 8.270 nan 0.000 0.462 1252 T N 0.185 114.698 114.554 -0.069 0.000 2.894 1252 T HA -0.037 4.313 4.350 0.001 0.000 0.258 1252 T C 1.083 175.699 174.700 -0.141 0.000 1.043 1252 T CA 1.189 63.197 62.100 -0.153 0.000 1.141 1252 T CB -0.190 68.528 68.868 -0.250 0.000 0.873 1252 T HN 0.435 nan 8.240 nan 0.000 0.449 1253 W N 1.996 123.223 121.300 -0.123 0.000 2.425 1253 W HA 0.071 4.731 4.660 0.001 0.000 0.277 1253 W C 2.334 178.718 176.519 -0.226 0.000 1.231 1253 W CA 0.326 57.597 57.345 -0.123 0.000 1.248 1253 W CB -0.113 29.303 29.460 -0.074 0.000 1.117 1253 W HN 0.202 nan 8.180 nan 0.000 0.568 1254 K N 0.436 120.765 120.400 -0.119 0.000 2.057 1254 K HA -0.161 4.159 4.320 0.001 0.000 0.206 1254 K C 1.748 177.934 176.600 -0.690 0.000 1.050 1254 K CA 1.584 57.493 56.287 -0.629 0.000 0.935 1254 K CB -0.269 31.838 32.500 -0.655 0.000 0.715 1254 K HN 0.207 nan 8.250 nan 0.000 0.439 1255 E N 0.412 120.416 120.200 -0.325 0.000 2.038 1255 E HA -0.187 4.163 4.350 0.001 0.000 0.195 1255 E C 2.107 178.662 176.600 -0.075 0.000 1.000 1255 E CA 1.485 57.786 56.400 -0.166 0.000 0.803 1255 E CB -0.115 29.529 29.700 -0.094 0.000 0.750 1255 E HN 0.044 nan 8.360 nan 0.000 0.448 1256 V N 1.256 121.137 119.914 -0.055 0.000 2.295 1256 V HA -0.293 3.827 4.120 0.001 0.000 0.246 1256 V C 2.593 178.713 176.094 0.042 0.000 1.049 1256 V CA 1.704 64.015 62.300 0.018 0.000 1.024 1256 V CB -0.521 31.313 31.823 0.019 0.000 0.648 1256 V HN 0.530 nan 8.190 nan 0.000 0.447 1257 C N -0.055 119.277 119.300 0.053 0.000 2.436 1257 C HA -0.182 4.278 4.460 0.001 0.000 0.277 1257 C C 2.602 177.684 174.990 0.153 0.000 1.241 1257 C CA 0.894 59.978 59.018 0.109 0.000 1.721 1257 C CB -1.211 26.609 27.740 0.134 0.000 2.043 1257 C HN 0.522 nan 8.230 nan 0.000 0.472 1258 F N 2.014 121.852 119.950 -0.187 0.000 2.069 1258 F HA -0.011 4.516 4.527 0.001 0.000 0.298 1258 F C 2.742 178.454 175.800 -0.146 0.000 1.113 1258 F CA 1.413 59.189 58.000 -0.373 0.000 1.214 1258 F CB -1.728 36.937 39.000 -0.558 0.000 0.978 1258 F HN 0.344 nan 8.300 nan 0.000 0.474 1259 A N -1.000 121.894 122.820 0.124 0.000 1.902 1259 A HA -0.227 4.093 4.320 0.001 0.000 0.217 1259 A C 2.446 179.935 177.584 -0.159 0.000 1.181 1259 A CA 1.630 53.705 52.037 0.064 0.000 0.623 1259 A CB -1.601 17.478 19.000 0.132 0.000 0.818 1259 A HN 0.494 nan 8.150 nan 0.000 0.443 1260 C N -1.063 118.094 119.300 -0.238 0.000 2.403 1260 C HA -0.069 4.391 4.460 0.001 0.000 0.282 1260 C C 2.737 177.405 174.990 -0.538 0.000 1.297 1260 C CA 1.325 60.017 59.018 -0.543 0.000 1.785 1260 C CB -1.370 26.210 27.740 -0.266 0.000 1.963 1260 C HN 0.437 nan 8.230 nan 0.000 0.507 1261 V N 0.538 120.259 119.914 -0.322 0.000 2.255 1261 V HA -0.127 3.993 4.120 0.001 0.000 0.243 1261 V C 2.210 178.054 176.094 -0.417 0.000 1.038 1261 V CA 2.325 64.385 62.300 -0.400 0.000 1.008 1261 V CB -0.681 31.027 31.823 -0.192 0.000 0.645 1261 V HN 0.419 nan 8.190 nan 0.000 0.449 1262 D N 0.993 121.288 120.400 -0.175 0.000 2.170 1262 D HA -0.190 4.451 4.640 0.001 0.000 0.193 1262 D C 1.980 178.179 176.300 -0.169 0.000 1.004 1262 D CA 1.888 55.831 54.000 -0.094 0.000 0.860 1262 D CB -0.591 40.220 40.800 0.019 0.000 0.931 1262 D HN 0.516 nan 8.370 nan 0.000 0.448 1263 G N -0.203 108.429 108.800 -0.280 0.000 2.956 1263 G HA2 -0.127 3.834 3.960 0.001 0.000 0.207 1263 G HA3 -0.127 3.834 3.960 0.001 0.000 0.207 1263 G C 0.410 175.077 174.900 -0.388 0.000 1.162 1263 G CA 0.048 44.997 45.100 -0.252 0.000 0.796 1263 G HN 0.274 nan 8.290 nan 0.000 0.527 1264 K N -0.135 119.901 120.400 -0.607 0.000 3.071 1264 K HA -0.141 4.179 4.320 0.001 0.000 0.265 1264 K C -0.555 175.417 176.600 -1.046 0.000 1.060 1264 K CA 0.749 56.459 56.287 -0.961 0.000 0.767 1264 K CB -0.675 31.577 32.500 -0.414 0.000 1.241 1264 K HN 0.320 nan 8.250 nan 0.000 0.486 1265 E N 0.241 119.876 120.200 -0.941 0.000 2.035 1265 E HA 0.121 4.472 4.350 0.001 0.000 0.271 1265 E C 0.249 176.500 176.600 -0.580 0.000 0.953 1265 E CA -0.135 55.912 56.400 -0.589 0.000 0.777 1265 E CB 0.386 29.807 29.700 -0.465 0.000 1.104 1265 E HN 0.080 nan 8.360 nan 0.000 0.408 1266 F N 0.965 120.842 119.950 -0.121 0.000 2.274 1266 F HA 0.115 4.642 4.527 0.001 0.000 0.288 1266 F C 2.423 178.203 175.800 -0.033 0.000 1.069 1266 F CA 0.266 58.216 58.000 -0.084 0.000 1.343 1266 F CB -0.198 38.756 39.000 -0.077 0.000 1.089 1266 F HN 0.314 nan 8.300 nan 0.000 0.517 1267 R N 0.619 121.206 120.500 0.145 0.000 2.159 1267 R HA -0.144 4.197 4.340 0.001 0.000 0.237 1267 R C 1.853 178.188 176.300 0.058 0.000 1.131 1267 R CA 1.112 57.264 56.100 0.086 0.000 0.982 1267 R CB -0.304 30.031 30.300 0.057 0.000 0.868 1267 R HN 0.334 nan 8.270 nan 0.000 0.453 1268 L N -0.589 120.658 121.223 0.040 0.000 2.034 1268 L HA 0.019 4.360 4.340 0.001 0.000 0.203 1268 L C 2.512 179.413 176.870 0.052 0.000 1.074 1268 L CA 0.995 55.856 54.840 0.035 0.000 0.748 1268 L CB -0.588 41.473 42.059 0.003 0.000 0.905 1268 L HN 0.239 nan 8.230 nan 0.000 0.439 1269 A N -0.604 122.239 122.820 0.038 0.000 2.194 1269 A HA -0.200 4.121 4.320 0.001 0.000 0.220 1269 A C 1.451 179.126 177.584 0.152 0.000 1.162 1269 A CA 0.937 53.035 52.037 0.101 0.000 0.674 1269 A CB -0.593 18.471 19.000 0.107 0.000 0.789 1269 A HN 0.531 nan 8.150 nan 0.000 0.470 1273 G N 0.433 109.162 108.800 -0.120 0.000 2.833 1273 G HA2 0.227 4.187 3.960 0.001 0.000 0.214 1273 G HA3 0.227 4.187 3.960 0.001 0.000 0.214 1273 G C 1.089 175.829 174.900 -0.266 0.000 1.075 1273 G CA 0.284 45.311 45.100 -0.123 0.000 0.799 1273 G HN 0.448 nan 8.290 nan 0.000 0.541 1274 L N 0.543 121.535 121.223 -0.386 0.000 2.610 1274 L HA 0.128 4.468 4.340 0.001 0.000 0.232 1274 L C 1.855 178.366 176.870 -0.598 0.000 1.149 1274 L CA 0.437 55.002 54.840 -0.457 0.000 0.872 1274 L CB -0.268 41.510 42.059 -0.470 0.000 0.992 1274 L HN 0.216 nan 8.230 nan 0.000 0.447 1275 H N -0.675 118.034 119.070 -0.601 0.000 2.563 1275 H HA 0.187 4.743 4.556 0.001 0.000 0.264 1275 H C 2.007 176.914 175.328 -0.701 0.000 0.957 1275 H CA 0.683 56.252 56.048 -0.799 0.000 1.173 1275 H CB 0.882 29.705 29.762 -1.566 0.000 1.420 1275 H HN 0.386 nan 8.280 nan 0.000 0.551 1276 I N 0.075 120.406 120.570 -0.399 0.000 3.039 1276 I HA -0.107 4.064 4.170 0.001 0.000 0.270 1276 I C 2.500 178.478 176.117 -0.230 0.000 1.150 1276 I CA 0.423 61.554 61.300 -0.282 0.000 1.448 1276 I CB -0.099 37.837 38.000 -0.106 0.000 1.197 1276 I HN -0.051 nan 8.210 nan 0.000 0.450 1277 V N 0.775 120.572 119.914 -0.196 0.000 2.380 1277 V HA -0.217 3.904 4.120 0.001 0.000 0.251 1277 V C 2.516 178.590 176.094 -0.033 0.000 1.063 1277 V CA 2.081 64.321 62.300 -0.099 0.000 1.055 1277 V CB -1.656 30.079 31.823 -0.145 0.000 0.657 1277 V HN 0.370 nan 8.190 nan 0.000 0.455 1278 V N -0.968 118.832 119.914 -0.190 0.000 2.688 1278 V HA -0.152 3.968 4.120 0.001 0.000 0.256 1278 V C 1.466 177.416 176.094 -0.240 0.000 1.084 1278 V CA 1.591 63.772 62.300 -0.199 0.000 1.103 1278 V CB -2.090 29.585 31.823 -0.247 0.000 0.688 1278 V HN 0.777 nan 8.190 nan 0.000 0.480 1279 H N 0.523 119.492 119.070 -0.167 0.000 2.872 1279 H HA 0.621 5.178 4.556 0.001 0.000 0.273 1279 H C 1.541 176.776 175.328 -0.155 0.000 1.205 1279 H CA -0.160 55.790 56.048 -0.164 0.000 1.342 1279 H CB 1.299 31.012 29.762 -0.082 0.000 1.469 1279 H HN 0.353 nan 8.280 nan 0.000 0.487 1280 A N 3.138 125.854 122.820 -0.174 0.000 1.915 1280 A HA -0.292 4.028 4.320 0.001 0.000 0.220 1280 A C 1.745 179.359 177.584 0.050 0.000 1.198 1280 A CA 2.069 54.077 52.037 -0.049 0.000 0.647 1280 A CB -0.224 18.726 19.000 -0.085 0.000 0.825 1280 A HN 0.653 nan 8.150 nan 0.000 0.456 1281 D N -0.423 119.989 120.400 0.021 0.000 2.351 1281 D HA -0.076 4.564 4.640 0.001 0.000 0.216 1281 D C 1.570 177.905 176.300 0.059 0.000 0.968 1281 D CA 1.111 55.129 54.000 0.030 0.000 0.899 1281 D CB -0.049 40.748 40.800 -0.006 0.000 0.907 1281 D HN 0.577 nan 8.370 nan 0.000 0.514 1282 E N -0.502 119.750 120.200 0.088 0.000 2.399 1282 E HA 0.052 4.402 4.350 0.001 0.000 0.205 1282 E C 1.964 178.629 176.600 0.109 0.000 0.906 1282 E CA -0.239 56.225 56.400 0.106 0.000 0.998 1282 E CB -0.209 29.571 29.700 0.133 0.000 1.002 1282 E HN 0.151 nan 8.360 nan 0.000 0.501 1283 L N 2.515 123.801 121.223 0.106 0.000 2.034 1283 L HA -0.279 4.062 4.340 0.001 0.000 0.217 1283 L C 2.324 179.242 176.870 0.080 0.000 1.077 1283 L CA 2.269 57.164 54.840 0.092 0.000 0.769 1283 L CB -0.355 41.786 42.059 0.138 0.000 0.890 1283 L HN 0.152 nan 8.230 nan 0.000 0.435 1284 E N -0.581 119.673 120.200 0.089 0.000 2.012 1284 E HA -0.328 4.023 4.350 0.001 0.000 0.197 1284 E C 2.176 178.844 176.600 0.112 0.000 1.007 1284 E CA 1.610 58.062 56.400 0.085 0.000 0.816 1284 E CB -0.412 29.336 29.700 0.080 0.000 0.762 1284 E HN 0.648 nan 8.360 nan 0.000 0.451 1285 E N -0.024 120.262 120.200 0.143 0.000 2.147 1285 E HA -0.254 4.097 4.350 0.001 0.000 0.199 1285 E C 2.180 178.928 176.600 0.248 0.000 1.005 1285 E CA 1.323 57.843 56.400 0.200 0.000 0.810 1285 E CB -0.202 29.648 29.700 0.250 0.000 0.736 1285 E HN 0.329 nan 8.360 nan 0.000 0.460 1286 L N 0.741 122.113 121.223 0.248 0.000 2.083 1286 L HA -0.114 4.227 4.340 0.001 0.000 0.209 1286 L C 1.976 178.945 176.870 0.165 0.000 1.083 1286 L CA 1.601 56.599 54.840 0.264 0.000 0.752 1286 L CB -0.299 41.865 42.059 0.174 0.000 0.899 1286 L HN 0.242 nan 8.230 nan 0.000 0.433 1287 I N -0.373 120.253 120.570 0.093 0.000 2.235 1287 I HA -0.242 3.929 4.170 0.001 0.000 0.241 1287 I C 2.071 178.244 176.117 0.094 0.000 1.085 1287 I CA 1.401 62.733 61.300 0.054 0.000 1.378 1287 I CB -0.523 37.491 38.000 0.023 0.000 1.076 1287 I HN 0.353 nan 8.210 nan 0.000 0.415 1288 N N -0.085 118.672 118.700 0.096 0.000 2.348 1288 N HA -0.254 4.487 4.740 0.001 0.000 0.185 1288 N C 1.817 177.350 175.510 0.039 0.000 1.019 1288 N CA 1.057 54.151 53.050 0.073 0.000 0.880 1288 N CB -0.062 38.471 38.487 0.077 0.000 0.965 1288 N HN 0.344 nan 8.380 nan 0.000 0.437 1289 Y N 0.086 120.332 120.300 -0.091 0.000 2.231 1289 Y HA -0.098 4.452 4.550 0.001 0.000 0.294 1289 Y C 1.721 177.528 175.900 -0.154 0.000 1.120 1289 Y CA 1.069 59.033 58.100 -0.227 0.000 1.141 1289 Y CB -0.300 37.812 38.460 -0.580 0.000 1.022 1289 Y HN -0.010 nan 8.280 nan 0.000 0.523 1290 Y N 0.555 120.865 120.300 0.016 0.000 2.497 1290 Y HA -0.173 4.377 4.550 0.001 0.000 0.292 1290 Y C 2.665 178.362 175.900 -0.338 0.000 1.137 1290 Y CA 1.801 59.861 58.100 -0.066 0.000 1.285 1290 Y CB -0.748 37.672 38.460 -0.068 0.000 0.991 1290 Y HN 0.385 nan 8.280 nan 0.000 0.556 1291 Q N 0.279 119.953 119.800 -0.212 0.000 1.984 1291 Q HA -0.141 4.200 4.340 0.001 0.000 0.196 1291 Q C 1.786 177.470 176.000 -0.526 0.000 0.975 1291 Q CA 1.754 57.244 55.803 -0.521 0.000 0.827 1291 Q CB -0.947 27.768 28.738 -0.038 0.000 0.894 1291 Q HN 0.447 nan 8.270 nan 0.000 0.438 1292 D N 0.368 120.612 120.400 -0.260 0.000 2.221 1292 D HA -0.128 4.513 4.640 0.001 0.000 0.204 1292 D C 1.645 177.782 176.300 -0.272 0.000 0.982 1292 D CA 0.987 54.861 54.000 -0.210 0.000 0.857 1292 D CB -0.101 40.586 40.800 -0.188 0.000 0.934 1292 D HN 0.320 nan 8.370 nan 0.000 0.475 1293 R N -0.009 120.291 120.500 -0.332 0.000 2.323 1293 R HA 0.115 4.455 4.340 0.001 0.000 0.198 1293 R C 1.500 177.541 176.300 -0.431 0.000 0.988 1293 R CA 0.550 56.503 56.100 -0.246 0.000 1.041 1293 R CB -0.623 29.655 30.300 -0.036 0.000 0.926 1293 R HN 0.236 nan 8.270 nan 0.000 0.476 1294 G N 0.782 109.254 108.800 -0.546 0.000 2.166 1294 G HA2 -0.328 3.633 3.960 0.001 0.000 0.260 1294 G HA3 -0.328 3.633 3.960 0.001 0.000 0.260 1294 G C -0.115 174.333 174.900 -0.753 0.000 0.986 1294 G CA 0.319 45.023 45.100 -0.659 0.000 0.683 1294 G HN 0.438 nan 8.290 nan 0.000 0.527 1295 Y N 0.443 120.409 120.300 -0.557 0.000 2.930 1295 Y HA 0.484 5.034 4.550 0.001 0.000 0.386 1295 Y C 1.664 177.366 175.900 -0.329 0.000 1.185 1295 Y CA -0.833 57.035 58.100 -0.388 0.000 1.922 1295 Y CB -0.647 37.560 38.460 -0.423 0.000 2.006 1295 Y HN 0.217 nan 8.280 nan 0.000 0.431 1296 F N -0.607 119.248 119.950 -0.158 0.000 2.234 1296 F HA -0.160 4.367 4.527 0.001 0.000 0.299 1296 F C 2.147 177.800 175.800 -0.245 0.000 1.087 1296 F CA 0.926 58.736 58.000 -0.317 0.000 1.340 1296 F CB -0.012 38.482 39.000 -0.844 0.000 1.031 1296 F HN 0.240 nan 8.300 nan 0.000 0.500 1297 E N 0.799 120.993 120.200 -0.010 0.000 2.077 1297 E HA -0.167 4.184 4.350 0.001 0.000 0.193 1297 E C 2.199 178.772 176.600 -0.045 0.000 0.989 1297 E CA 1.470 57.855 56.400 -0.025 0.000 0.800 1297 E CB -0.205 29.481 29.700 -0.023 0.000 0.746 1297 E HN 0.523 nan 8.360 nan 0.000 0.452 1298 E N 0.752 120.903 120.200 -0.081 0.000 2.076 1298 E HA -0.149 4.202 4.350 0.001 0.000 0.190 1298 E C 2.355 178.911 176.600 -0.073 0.000 0.979 1298 E CA 0.317 56.645 56.400 -0.120 0.000 0.807 1298 E CB -0.820 28.646 29.700 -0.391 0.000 0.761 1298 E HN 0.147 nan 8.360 nan 0.000 0.454 1299 L N 2.660 123.863 121.223 -0.033 0.000 2.051 1299 L HA -0.164 4.176 4.340 0.001 0.000 0.214 1299 L C 2.387 179.104 176.870 -0.255 0.000 1.076 1299 L CA 1.825 56.453 54.840 -0.353 0.000 0.758 1299 L CB -0.739 41.204 42.059 -0.193 0.000 0.890 1299 L HN 0.327 nan 8.230 nan 0.000 0.433 1300 I N -4.139 116.353 120.570 -0.129 0.000 3.428 1300 I HA 0.065 4.235 4.170 0.001 0.000 0.286 1300 I C 0.723 176.793 176.117 -0.080 0.000 1.287 1300 I CA 0.030 61.265 61.300 -0.108 0.000 1.396 1300 I CB -0.705 37.300 38.000 0.008 0.000 1.062 1300 I HN 0.104 nan 8.210 nan 0.000 0.471 1304 E N 1.550 121.653 120.200 -0.162 0.000 2.070 1304 E HA -0.209 4.142 4.350 0.001 0.000 0.197 1304 E C 2.012 178.562 176.600 -0.084 0.000 1.004 1304 E CA 1.876 58.231 56.400 -0.074 0.000 0.805 1304 E CB 0.029 29.725 29.700 -0.007 0.000 0.744 1304 E HN 0.566 nan 8.360 nan 0.000 0.451 1305 A N 1.386 124.140 122.820 -0.109 0.000 1.874 1305 A HA 0.101 4.421 4.320 0.001 0.000 0.214 1305 A C 2.470 179.959 177.584 -0.159 0.000 1.189 1305 A CA 1.592 53.563 52.037 -0.110 0.000 0.615 1305 A CB -0.601 18.335 19.000 -0.106 0.000 0.830 1305 A HN 0.252 nan 8.150 nan 0.000 0.443 1306 A N -0.008 122.685 122.820 -0.212 0.000 1.915 1306 A HA -0.216 4.104 4.320 0.001 0.000 0.220 1306 A C 1.946 179.356 177.584 -0.290 0.000 1.198 1306 A CA 2.041 53.925 52.037 -0.256 0.000 0.647 1306 A CB -0.816 18.008 19.000 -0.294 0.000 0.825 1306 A HN 0.440 nan 8.150 nan 0.000 0.456 1307 L N -0.246 120.759 121.223 -0.365 0.000 2.103 1307 L HA -0.235 4.106 4.340 0.001 0.000 0.215 1307 L C 2.665 179.402 176.870 -0.222 0.000 1.080 1307 L CA 2.045 56.610 54.840 -0.459 0.000 0.764 1307 L CB -1.325 40.497 42.059 -0.395 0.000 0.890 1307 L HN 0.458 nan 8.230 nan 0.000 0.435 1308 G N -1.136 107.583 108.800 -0.136 0.000 2.408 1308 G HA2 -0.100 3.860 3.960 0.001 0.000 0.217 1308 G HA3 -0.100 3.860 3.960 0.001 0.000 0.217 1308 G C 0.847 175.702 174.900 -0.075 0.000 1.150 1308 G CA -0.208 44.851 45.100 -0.069 0.000 0.776 1308 G HN 0.266 nan 8.290 nan 0.000 0.542 1309 L N 0.988 122.143 121.223 -0.115 0.000 2.693 1309 L HA -0.083 4.258 4.340 0.001 0.000 0.292 1309 L C 1.710 178.540 176.870 -0.067 0.000 1.243 1309 L CA 0.021 54.797 54.840 -0.107 0.000 0.903 1309 L CB 0.359 42.329 42.059 -0.148 0.000 1.160 1309 L HN 0.326 nan 8.230 nan 0.000 0.496 1310 E N 2.449 122.619 120.200 -0.050 0.000 2.118 1310 E HA -0.182 4.168 4.350 0.001 0.000 0.195 1310 E C 1.146 177.735 176.600 -0.019 0.000 0.992 1310 E CA 1.294 57.678 56.400 -0.026 0.000 0.804 1310 E CB 0.175 29.862 29.700 -0.022 0.000 0.741 1310 E HN 0.473 nan 8.360 nan 0.000 0.458 1311 R N 0.064 120.544 120.500 -0.034 0.000 2.752 1311 R HA 0.223 4.564 4.340 0.001 0.000 0.279 1311 R C -0.438 175.864 176.300 0.003 0.000 1.212 1311 R CA -0.308 55.779 56.100 -0.022 0.000 1.169 1311 R CB 0.702 30.976 30.300 -0.043 0.000 1.286 1311 R HN -0.030 nan 8.270 nan 0.000 0.564 1312 A N 2.014 124.838 122.820 0.007 0.000 2.451 1312 A HA 0.110 4.430 4.320 0.001 0.000 0.266 1312 A C 0.003 177.687 177.584 0.166 0.000 1.119 1312 A CA -0.371 51.672 52.037 0.010 0.000 0.786 1312 A CB -0.068 18.860 19.000 -0.120 0.000 1.061 1312 A HN 0.402 nan 8.150 nan 0.000 0.503 1318 T N 0.643 115.277 114.554 0.133 0.000 2.746 1318 T HA -0.118 4.233 4.350 0.001 0.000 0.267 1318 T C 1.620 176.330 174.700 0.016 0.000 1.039 1318 T CA 1.899 64.044 62.100 0.075 0.000 1.142 1318 T CB -0.094 68.786 68.868 0.020 0.000 0.866 1318 T HN 0.095 nan 8.240 nan 0.000 0.444 1319 E N 0.632 120.800 120.200 -0.054 0.000 2.216 1319 E HA 0.048 4.398 4.350 0.001 0.000 0.192 1319 E C 2.074 178.587 176.600 -0.145 0.000 0.988 1319 E CA 0.298 56.648 56.400 -0.084 0.000 0.834 1319 E CB -0.351 29.288 29.700 -0.103 0.000 0.772 1319 E HN 0.306 nan 8.360 nan 0.000 0.479 1320 L N 0.942 122.024 121.223 -0.235 0.000 2.044 1320 L HA 0.004 4.345 4.340 0.001 0.000 0.205 1320 L C 2.137 178.678 176.870 -0.548 0.000 1.075 1320 L CA 1.846 56.392 54.840 -0.491 0.000 0.747 1320 L CB -0.999 40.685 42.059 -0.626 0.000 0.903 1320 L HN 0.024 nan 8.230 nan 0.000 0.435 1321 A N 0.287 122.913 122.820 -0.323 0.000 1.852 1321 A HA -0.287 4.033 4.320 0.001 0.000 0.217 1321 A C 2.257 179.831 177.584 -0.017 0.000 1.215 1321 A CA 2.631 54.620 52.037 -0.080 0.000 0.641 1321 A CB -1.206 17.927 19.000 0.222 0.000 0.838 1321 A HN 0.493 nan 8.150 nan 0.000 0.450 1322 I N -0.311 120.251 120.570 -0.013 0.000 2.113 1322 I HA -0.378 3.793 4.170 0.001 0.000 0.242 1322 I C 2.540 178.664 176.117 0.011 0.000 1.057 1322 I CA 1.872 63.166 61.300 -0.011 0.000 1.314 1322 I CB -0.596 37.399 38.000 -0.007 0.000 1.022 1322 I HN 0.364 nan 8.210 nan 0.000 0.408 1323 L N -0.952 120.292 121.223 0.035 0.000 1.970 1323 L HA -0.282 4.059 4.340 0.001 0.000 0.212 1323 L C 2.738 179.758 176.870 0.250 0.000 1.071 1323 L CA 1.570 56.526 54.840 0.192 0.000 0.751 1323 L CB -0.947 41.185 42.059 0.121 0.000 0.889 1323 L HN 0.205 nan 8.230 nan 0.000 0.432 1324 Y N 0.858 121.161 120.300 0.005 0.000 2.132 1324 Y HA -0.355 4.195 4.550 0.001 0.000 0.280 1324 Y C 3.133 178.993 175.900 -0.067 0.000 1.193 1324 Y CA 1.328 59.409 58.100 -0.032 0.000 1.157 1324 Y CB -1.264 37.132 38.460 -0.106 0.000 0.966 1324 Y HN 0.427 nan 8.280 nan 0.000 0.511 1325 S N 0.937 116.677 115.700 0.067 0.000 2.354 1325 S HA -0.234 4.237 4.470 0.001 0.000 0.219 1325 S C 1.643 176.127 174.600 -0.194 0.000 1.035 1325 S CA 1.674 59.827 58.200 -0.078 0.000 1.037 1325 S CB -0.711 62.420 63.200 -0.114 0.000 0.956 1325 S HN 0.614 nan 8.310 nan 0.000 0.428 1326 K N -0.238 119.968 120.400 -0.322 0.000 2.589 1326 K HA 0.203 4.523 4.320 0.001 0.000 0.204 1326 K C -0.329 175.615 176.600 -1.094 0.000 1.029 1326 K CA 0.188 56.069 56.287 -0.677 0.000 1.177 1326 K CB -0.300 31.697 32.500 -0.839 0.000 0.902 1326 K HN 0.511 nan 8.250 nan 0.000 0.501 1327 F N 0.197 120.103 119.950 -0.075 0.000 3.142 1327 F HA 0.294 4.822 4.527 0.001 0.000 0.376 1327 F C -0.406 175.371 175.800 -0.038 0.000 1.161 1327 F CA -0.535 57.426 58.000 -0.065 0.000 0.988 1327 F CB 0.996 39.969 39.000 -0.046 0.000 1.457 1327 F HN -0.088 nan 8.300 nan 0.000 0.516 1328 K N 0.007 120.446 120.400 0.065 0.000 3.230 1328 K HA 0.163 4.483 4.320 0.001 0.000 0.193 1328 K C -2.553 173.953 176.600 -0.158 0.000 1.300 1328 K CA -0.529 55.720 56.287 -0.063 0.000 0.750 1328 K CB 1.178 33.601 32.500 -0.129 0.000 1.138 1328 K HN -0.219 nan 8.250 nan 0.000 0.524 1329 P HA -0.295 nan 4.420 nan 0.000 0.216 1329 P C 1.455 178.671 177.300 -0.139 0.000 1.153 1329 P CA 1.241 64.267 63.100 -0.124 0.000 0.858 1329 P CB 0.223 31.852 31.700 -0.118 0.000 0.789 1330 Q N 0.310 120.025 119.800 -0.141 0.000 2.181 1330 Q HA -0.141 4.199 4.340 0.001 0.000 0.205 1330 Q C 0.726 176.617 176.000 -0.181 0.000 0.980 1330 Q CA 1.452 57.174 55.803 -0.134 0.000 0.862 1330 Q CB -0.902 27.769 28.738 -0.111 0.000 0.905 1330 Q HN 0.294 nan 8.270 nan 0.000 0.429 1334 E N 0.244 120.405 120.200 -0.065 0.000 2.233 1334 E HA -0.299 4.052 4.350 0.001 0.000 0.199 1334 E C 1.349 177.936 176.600 -0.023 0.000 1.004 1334 E CA 1.716 58.076 56.400 -0.067 0.000 0.819 1334 E CB -0.191 29.481 29.700 -0.047 0.000 0.738 1334 E HN 0.535 nan 8.360 nan 0.000 0.478 1335 H N 0.458 119.539 119.070 0.017 0.000 2.299 1335 H HA -0.083 4.474 4.556 0.001 0.000 0.302 1335 H C 2.217 177.597 175.328 0.086 0.000 1.078 1335 H CA 1.536 57.659 56.048 0.124 0.000 1.323 1335 H CB -0.068 29.921 29.762 0.378 0.000 1.381 1335 H HN 0.217 nan 8.280 nan 0.000 0.498 1336 L N 0.637 121.947 121.223 0.144 0.000 2.131 1336 L HA -0.145 4.196 4.340 0.001 0.000 0.210 1336 L C 2.577 179.612 176.870 0.274 0.000 1.092 1336 L CA 1.184 56.156 54.840 0.220 0.000 0.759 1336 L CB -0.469 41.786 42.059 0.327 0.000 0.903 1336 L HN 0.277 nan 8.230 nan 0.000 0.435 1337 E N 0.624 120.826 120.200 0.003 0.000 2.171 1337 E HA -0.198 4.152 4.350 0.001 0.000 0.197 1337 E C 2.054 178.680 176.600 0.043 0.000 0.997 1337 E CA 1.376 57.757 56.400 -0.032 0.000 0.810 1337 E CB 0.026 29.613 29.700 -0.188 0.000 0.738 1337 E HN 0.436 nan 8.360 nan 0.000 0.467 1338 L N -1.926 119.145 121.223 -0.254 0.000 2.445 1338 L HA 0.147 4.488 4.340 0.001 0.000 0.207 1338 L C 0.353 176.889 176.870 -0.557 0.000 1.053 1338 L CA 0.024 54.539 54.840 -0.540 0.000 0.841 1338 L CB 0.286 41.677 42.059 -1.113 0.000 1.074 1338 L HN 0.023 nan 8.230 nan 0.000 0.479 1339 F N -0.534 119.281 119.950 -0.224 0.000 2.923 1339 F HA 0.119 4.646 4.527 0.001 0.000 0.314 1339 F C 1.255 176.842 175.800 -0.355 0.000 1.196 1339 F CA -1.373 56.351 58.000 -0.460 0.000 1.320 1339 F CB -0.711 37.935 39.000 -0.589 0.000 0.953 1339 F HN 0.206 nan 8.300 nan 0.000 0.505 1340 W N -0.279 120.988 121.300 -0.056 0.000 2.584 1340 W HA -0.014 4.647 4.660 0.001 0.000 0.264 1340 W C 1.161 177.626 176.519 -0.091 0.000 1.264 1340 W CA 1.035 58.358 57.345 -0.036 0.000 1.306 1340 W CB -1.172 28.298 29.460 0.017 0.000 1.110 1340 W HN 0.237 nan 8.180 nan 0.000 0.606 1341 S N 1.504 116.572 115.700 -1.053 0.000 2.446 1341 S HA 0.024 4.495 4.470 0.001 0.000 0.225 1341 S C 1.417 175.709 174.600 -0.514 0.000 1.016 1341 S CA 0.268 57.841 58.200 -1.045 0.000 0.943 1341 S CB -0.528 61.897 63.200 -1.292 0.000 0.786 1341 S HN 0.259 nan 8.310 nan 0.000 0.508 1342 R N 1.167 121.372 120.500 -0.491 0.000 2.978 1342 R HA 0.503 4.843 4.340 0.001 0.000 0.298 1342 R C -0.590 175.548 176.300 -0.270 0.000 1.296 1342 R CA -0.103 55.725 56.100 -0.455 0.000 1.181 1342 R CB 0.593 30.380 30.300 -0.855 0.000 1.348 1342 R HN 0.343 nan 8.270 nan 0.000 0.585 1343 V N -0.251 119.577 119.914 -0.143 0.000 3.012 1343 V HA 0.295 4.415 4.120 0.001 0.000 0.307 1343 V C -1.393 174.676 176.094 -0.041 0.000 1.166 1343 V CA -1.209 61.075 62.300 -0.027 0.000 0.974 1343 V CB 2.385 34.241 31.823 0.055 0.000 1.040 1343 V HN 0.233 nan 8.190 nan 0.000 0.428 1344 N N 4.917 123.599 118.700 -0.029 0.000 2.400 1344 N HA 0.186 4.926 4.740 0.001 0.000 0.267 1344 N C 0.981 176.432 175.510 -0.098 0.000 1.208 1344 N CA 0.343 53.356 53.050 -0.061 0.000 0.951 1344 N CB 0.412 38.880 38.487 -0.032 0.000 1.227 1344 N HN 0.777 nan 8.380 nan 0.000 0.488 1345 I N 5.157 125.609 120.570 -0.197 0.000 2.142 1345 I HA -0.176 3.994 4.170 0.001 0.000 0.240 1345 I C -0.713 175.245 176.117 -0.264 0.000 1.078 1345 I CA 0.887 62.018 61.300 -0.281 0.000 1.343 1345 I CB -0.988 36.685 38.000 -0.545 0.000 1.046 1345 I HN 0.438 nan 8.210 nan 0.000 0.405 1346 P HA -0.233 nan 4.420 nan 0.000 0.216 1346 P C 1.558 178.826 177.300 -0.055 0.000 1.154 1346 P CA 1.627 64.669 63.100 -0.097 0.000 0.865 1346 P CB -0.046 31.645 31.700 -0.016 0.000 0.789 1347 K N -0.301 120.068 120.400 -0.052 0.000 2.057 1347 K HA -0.090 4.231 4.320 0.001 0.000 0.206 1347 K C 1.820 178.397 176.600 -0.039 0.000 1.050 1347 K CA 1.175 57.444 56.287 -0.030 0.000 0.935 1347 K CB -0.517 31.973 32.500 -0.017 0.000 0.715 1347 K HN -0.088 nan 8.250 nan 0.000 0.439 1348 V N 1.897 121.785 119.914 -0.045 0.000 2.594 1348 V HA -0.236 3.885 4.120 0.001 0.000 0.253 1348 V C 2.204 178.254 176.094 -0.073 0.000 1.069 1348 V CA 1.319 63.599 62.300 -0.034 0.000 1.082 1348 V CB -0.316 31.509 31.823 0.004 0.000 0.680 1348 V HN 0.305 nan 8.190 nan 0.000 0.469 1349 L N -0.472 120.686 121.223 -0.108 0.000 1.973 1349 L HA -0.144 4.197 4.340 0.001 0.000 0.208 1349 L C 2.676 179.483 176.870 -0.106 0.000 1.073 1349 L CA 1.616 56.358 54.840 -0.163 0.000 0.746 1349 L CB -0.693 41.241 42.059 -0.209 0.000 0.891 1349 L HN 0.199 nan 8.230 nan 0.000 0.433 1350 R N 0.746 121.214 120.500 -0.053 0.000 2.276 1350 R HA -0.192 4.149 4.340 0.001 0.000 0.243 1350 R C 1.813 178.074 176.300 -0.067 0.000 1.161 1350 R CA 1.527 57.611 56.100 -0.028 0.000 1.007 1350 R CB -0.522 29.776 30.300 -0.004 0.000 0.867 1350 R HN 0.431 nan 8.270 nan 0.000 0.472 1351 A N -1.339 121.430 122.820 -0.086 0.000 2.081 1351 A HA 0.315 4.635 4.320 0.001 0.000 0.214 1351 A C 2.025 179.508 177.584 -0.169 0.000 1.158 1351 A CA 0.824 52.794 52.037 -0.111 0.000 0.724 1351 A CB -0.187 18.767 19.000 -0.077 0.000 0.826 1351 A HN 0.375 nan 8.150 nan 0.000 0.463 1352 A N -0.476 122.236 122.820 -0.179 0.000 2.063 1352 A HA 0.189 4.509 4.320 0.001 0.000 0.211 1352 A C 1.778 179.145 177.584 -0.362 0.000 1.177 1352 A CA 1.264 53.148 52.037 -0.257 0.000 0.759 1352 A CB -0.172 18.706 19.000 -0.204 0.000 0.857 1352 A HN 0.460 nan 8.150 nan 0.000 0.468 1353 E N -0.089 119.976 120.200 -0.225 0.000 2.051 1353 E HA -0.250 4.100 4.350 0.001 0.000 0.192 1353 E C 2.053 178.506 176.600 -0.244 0.000 0.991 1353 E CA 1.707 58.027 56.400 -0.134 0.000 0.799 1353 E CB -0.162 29.558 29.700 0.034 0.000 0.748 1353 E HN 0.485 nan 8.360 nan 0.000 0.449 1354 Q N -0.528 119.124 119.800 -0.247 0.000 2.291 1354 Q HA 0.092 4.432 4.340 0.001 0.000 0.205 1354 Q C 1.133 176.787 176.000 -0.577 0.000 0.970 1354 Q CA 1.357 56.970 55.803 -0.315 0.000 0.876 1354 Q CB -0.035 28.584 28.738 -0.198 0.000 0.935 1354 Q HN 0.317 nan 8.270 nan 0.000 0.455 1355 A N -1.183 121.299 122.820 -0.564 0.000 2.423 1355 A HA 0.128 4.448 4.320 0.001 0.000 0.246 1355 A C -0.647 176.542 177.584 -0.657 0.000 1.278 1355 A CA -0.181 51.516 52.037 -0.566 0.000 0.903 1355 A CB -0.287 18.488 19.000 -0.376 0.000 0.997 1355 A HN 0.443 nan 8.150 nan 0.000 0.510 1356 H N -0.820 117.817 119.070 -0.721 0.000 2.527 1356 H HA -0.154 4.402 4.556 0.001 0.000 0.321 1356 H C -0.057 174.422 175.328 -1.414 0.000 1.092 1356 H CA 0.971 56.162 56.048 -1.428 0.000 1.118 1356 H CB -1.896 27.542 29.762 -0.541 0.000 1.536 1356 H HN 0.492 nan 8.280 nan 0.000 0.407 1357 L N -0.495 120.130 121.223 -0.997 0.000 3.036 1357 L HA 0.065 4.405 4.340 0.001 0.000 0.237 1357 L C 1.371 178.036 176.870 -0.342 0.000 1.319 1357 L CA -0.363 54.164 54.840 -0.522 0.000 1.112 1357 L CB -0.327 41.550 42.059 -0.303 0.000 1.480 1357 L HN 0.352 nan 8.230 nan 0.000 0.506 1358 W N 0.674 121.957 121.300 -0.028 0.000 2.235 1358 W HA -0.433 4.228 4.660 0.001 0.000 0.330 1358 W C 2.488 179.043 176.519 0.059 0.000 1.329 1358 W CA 1.029 58.368 57.345 -0.010 0.000 1.337 1358 W CB -0.627 28.793 29.460 -0.068 0.000 1.115 1358 W HN 0.424 nan 8.180 nan 0.000 0.491 1359 A N 0.447 123.410 122.820 0.238 0.000 1.883 1359 A HA -0.269 4.051 4.320 0.001 0.000 0.217 1359 A C 1.745 179.407 177.584 0.129 0.000 1.186 1359 A CA 2.282 54.419 52.037 0.166 0.000 0.624 1359 A CB -0.817 18.239 19.000 0.094 0.000 0.822 1359 A HN 0.343 nan 8.150 nan 0.000 0.444 1360 E N -0.109 120.132 120.200 0.068 0.000 2.047 1360 E HA -0.059 4.292 4.350 0.001 0.000 0.191 1360 E C 1.960 178.634 176.600 0.123 0.000 0.987 1360 E CA 0.654 57.098 56.400 0.073 0.000 0.799 1360 E CB -0.399 29.304 29.700 0.006 0.000 0.752 1360 E HN 0.524 nan 8.360 nan 0.000 0.449 1361 L N 0.375 121.640 121.223 0.071 0.000 2.034 1361 L HA -0.278 4.062 4.340 0.001 0.000 0.217 1361 L C 2.187 179.155 176.870 0.163 0.000 1.077 1361 L CA 1.343 56.205 54.840 0.036 0.000 0.769 1361 L CB -0.361 41.809 42.059 0.185 0.000 0.890 1361 L HN 0.135 nan 8.230 nan 0.000 0.435 1362 V N -0.666 119.424 119.914 0.292 0.000 2.295 1362 V HA -0.341 3.779 4.120 0.001 0.000 0.246 1362 V C 2.183 178.404 176.094 0.212 0.000 1.049 1362 V CA 2.008 64.490 62.300 0.302 0.000 1.024 1362 V CB -0.616 31.354 31.823 0.245 0.000 0.648 1362 V HN 0.378 nan 8.190 nan 0.000 0.447 1363 F N 0.395 120.355 119.950 0.016 0.000 2.043 1363 F HA -0.267 4.261 4.527 0.001 0.000 0.297 1363 F C 2.076 177.798 175.800 -0.131 0.000 1.118 1363 F CA 1.977 59.934 58.000 -0.071 0.000 1.202 1363 F CB -0.501 38.450 39.000 -0.082 0.000 0.965 1363 F HN 0.026 nan 8.300 nan 0.000 0.482 1364 L N -1.584 119.574 121.223 -0.108 0.000 2.005 1364 L HA -0.268 4.072 4.340 0.001 0.000 0.207 1364 L C 2.469 179.239 176.870 -0.167 0.000 1.072 1364 L CA 1.320 56.011 54.840 -0.249 0.000 0.744 1364 L CB -1.100 40.864 42.059 -0.159 0.000 0.895 1364 L HN 0.107 nan 8.230 nan 0.000 0.433 1365 Y N 0.543 120.810 120.300 -0.054 0.000 2.228 1365 Y HA -0.353 4.197 4.550 0.001 0.000 0.285 1365 Y C 2.387 178.161 175.900 -0.211 0.000 1.178 1365 Y CA 1.690 59.755 58.100 -0.059 0.000 1.202 1365 Y CB -0.666 37.787 38.460 -0.012 0.000 0.974 1365 Y HN 0.333 nan 8.280 nan 0.000 0.527 1366 D N -0.430 119.923 120.400 -0.079 0.000 2.075 1366 D HA -0.136 4.504 4.640 0.001 0.000 0.196 1366 D C 2.039 178.096 176.300 -0.405 0.000 0.985 1366 D CA 1.454 55.315 54.000 -0.233 0.000 0.834 1366 D CB 0.080 40.761 40.800 -0.197 0.000 0.987 1366 D HN -0.054 nan 8.370 nan 0.000 0.452 1367 K N -0.104 119.971 120.400 -0.541 0.000 2.044 1367 K HA -0.191 4.130 4.320 0.001 0.000 0.210 1367 K C 2.093 178.534 176.600 -0.265 0.000 1.049 1367 K CA 0.774 56.674 56.287 -0.644 0.000 0.927 1367 K CB -1.089 30.689 32.500 -1.204 0.000 0.713 1367 K HN 0.344 nan 8.250 nan 0.000 0.443 1368 Y N 2.175 122.292 120.300 -0.305 0.000 2.688 1368 Y HA -0.088 4.463 4.550 0.001 0.000 0.311 1368 Y C -0.149 175.614 175.900 -0.228 0.000 1.185 1368 Y CA 0.112 58.112 58.100 -0.166 0.000 1.336 1368 Y CB -0.874 37.531 38.460 -0.092 0.000 1.015 1368 Y HN 0.278 nan 8.280 nan 0.000 0.522 1369 E N 0.369 120.347 120.200 -0.370 0.000 2.539 1369 E HA -0.286 4.064 4.350 0.001 0.000 0.253 1369 E C -0.267 175.892 176.600 -0.736 0.000 1.145 1369 E CA 0.812 56.747 56.400 -0.775 0.000 0.738 1369 E CB -1.169 28.308 29.700 -0.372 0.000 1.308 1369 E HN 0.651 nan 8.360 nan 0.000 0.409 1370 E N -0.115 119.777 120.200 -0.515 0.000 2.462 1370 E HA 0.048 4.398 4.350 0.001 0.000 0.255 1370 E C 0.233 176.681 176.600 -0.253 0.000 1.311 1370 E CA -0.285 55.939 56.400 -0.292 0.000 1.629 1370 E CB 0.116 29.779 29.700 -0.062 0.000 1.510 1370 E HN 0.309 nan 8.360 nan 0.000 0.438 1371 Y N 1.022 121.264 120.300 -0.097 0.000 2.096 1371 Y HA -0.319 4.232 4.550 0.001 0.000 0.278 1371 Y C 1.850 177.656 175.900 -0.157 0.000 1.192 1371 Y CA 1.564 59.592 58.100 -0.119 0.000 1.143 1371 Y CB -0.452 37.942 38.460 -0.111 0.000 0.963 1371 Y HN 0.251 nan 8.280 nan 0.000 0.505 1372 D N -0.475 119.931 120.400 0.009 0.000 2.133 1372 D HA -0.185 4.455 4.640 0.001 0.000 0.195 1372 D C 1.775 177.983 176.300 -0.153 0.000 0.997 1372 D CA 1.472 55.435 54.000 -0.062 0.000 0.840 1372 D CB -0.439 40.327 40.800 -0.057 0.000 0.947 1372 D HN 0.418 nan 8.370 nan 0.000 0.452 1373 N N 0.193 118.724 118.700 -0.283 0.000 2.216 1373 N HA -0.060 4.681 4.740 0.001 0.000 0.183 1373 N C 1.779 176.997 175.510 -0.486 0.000 1.017 1373 N CA 1.019 53.737 53.050 -0.554 0.000 0.861 1373 N CB -0.117 37.673 38.487 -1.161 0.000 0.986 1373 N HN 0.130 nan 8.380 nan 0.000 0.428 1374 A N 1.981 124.634 122.820 -0.277 0.000 1.908 1374 A HA -0.103 4.218 4.320 0.001 0.000 0.218 1374 A C 2.222 179.790 177.584 -0.027 0.000 1.181 1374 A CA 0.920 52.941 52.037 -0.027 0.000 0.627 1374 A CB -0.400 18.630 19.000 0.050 0.000 0.818 1374 A HN 0.095 nan 8.150 nan 0.000 0.445 1375 I N -0.081 120.428 120.570 -0.102 0.000 2.133 1375 I HA -0.206 3.965 4.170 0.001 0.000 0.238 1375 I C 2.497 178.592 176.117 -0.036 0.000 1.074 1375 I CA 1.331 62.550 61.300 -0.136 0.000 1.342 1375 I CB -1.073 36.777 38.000 -0.251 0.000 1.053 1375 I HN 0.310 nan 8.210 nan 0.000 0.404 1376 I N 0.352 120.881 120.570 -0.069 0.000 2.185 1376 I HA -0.289 3.882 4.170 0.001 0.000 0.246 1376 I C 1.429 177.529 176.117 -0.029 0.000 1.088 1376 I CA 1.012 62.279 61.300 -0.055 0.000 1.347 1376 I CB -0.574 37.380 38.000 -0.076 0.000 1.041 1376 I HN 0.264 nan 8.210 nan 0.000 0.415 1381 H N -0.072 118.843 119.070 -0.257 0.000 2.439 1381 H HA 0.259 4.815 4.556 0.001 0.000 0.230 1381 H C -2.240 173.066 175.328 -0.036 0.000 1.420 1381 H CA -1.119 54.778 56.048 -0.252 0.000 1.305 1381 H CB 1.312 30.758 29.762 -0.526 0.000 1.667 1381 H HN 0.114 nan 8.280 nan 0.000 0.515 1382 P HA -0.142 nan 4.420 nan 0.000 0.214 1382 P C 1.762 179.172 177.300 0.182 0.000 1.163 1382 P CA 1.508 64.692 63.100 0.139 0.000 0.883 1382 P CB 0.323 32.029 31.700 0.010 0.000 0.788 1383 T N -0.197 114.404 114.554 0.080 0.000 2.565 1383 T HA -0.230 4.121 4.350 0.001 0.000 0.265 1383 T C 1.194 175.996 174.700 0.169 0.000 1.082 1383 T CA 2.360 64.518 62.100 0.097 0.000 1.173 1383 T CB -1.348 67.552 68.868 0.053 0.000 0.864 1383 T HN 0.208 nan 8.240 nan 0.000 0.425 1384 D N 0.991 121.512 120.400 0.201 0.000 2.096 1384 D HA 0.088 4.728 4.640 0.001 0.000 0.200 1384 D C 2.414 178.859 176.300 0.241 0.000 0.980 1384 D CA 1.273 55.411 54.000 0.230 0.000 0.860 1384 D CB -0.775 40.223 40.800 0.330 0.000 1.005 1384 D HN 0.377 nan 8.370 nan 0.000 0.449 1385 A N 0.450 123.445 122.820 0.292 0.000 1.841 1385 A HA -0.132 4.188 4.320 0.001 0.000 0.216 1385 A C 0.746 178.491 177.584 0.268 0.000 1.199 1385 A CA 0.847 53.050 52.037 0.277 0.000 0.621 1385 A CB -1.433 17.755 19.000 0.312 0.000 0.835 1385 A HN 0.459 nan 8.150 nan 0.000 0.445 1386 W N 1.476 122.855 121.300 0.132 0.000 2.493 1386 W HA 0.149 4.809 4.660 0.001 0.000 0.337 1386 W C -0.513 176.076 176.519 0.116 0.000 1.234 1386 W CA 1.002 58.425 57.345 0.131 0.000 1.286 1386 W CB 0.424 29.930 29.460 0.076 0.000 1.188 1386 W HN 0.095 nan 8.180 nan 0.000 0.564 1387 K N 6.267 126.170 120.400 -0.829 0.000 2.565 1387 K HA 0.004 4.324 4.320 0.001 0.000 0.249 1387 K C 0.683 176.472 176.600 -1.352 0.000 0.958 1387 K CA -0.626 55.143 56.287 -0.863 0.000 0.806 1387 K CB 1.560 33.876 32.500 -0.307 0.000 1.194 1387 K HN 0.767 nan 8.250 nan 0.000 0.434 1388 E N 2.579 121.839 120.200 -1.567 0.000 2.068 1388 E HA -0.267 4.083 4.350 0.001 0.000 0.207 1388 E C 1.443 177.914 176.600 -0.216 0.000 1.032 1388 E CA 2.500 58.488 56.400 -0.688 0.000 0.839 1388 E CB -0.048 29.607 29.700 -0.074 0.000 0.758 1388 E HN 0.796 nan 8.360 nan 0.000 0.457 1389 G N 0.827 109.526 108.800 -0.168 0.000 2.480 1389 G HA2 -0.377 3.583 3.960 0.001 0.000 0.216 1389 G HA3 -0.377 3.583 3.960 0.001 0.000 0.216 1389 G C 1.560 176.427 174.900 -0.056 0.000 1.200 1389 G CA 1.294 46.354 45.100 -0.066 0.000 0.782 1389 G HN 0.599 nan 8.290 nan 0.000 0.554 1390 Q N -1.061 118.684 119.800 -0.092 0.000 2.291 1390 Q HA 0.006 4.346 4.340 0.001 0.000 0.205 1390 Q C 2.185 178.156 176.000 -0.049 0.000 0.970 1390 Q CA 1.025 56.790 55.803 -0.063 0.000 0.876 1390 Q CB -0.463 28.244 28.738 -0.052 0.000 0.935 1390 Q HN 0.423 nan 8.270 nan 0.000 0.455 1391 F N 1.943 121.773 119.950 -0.200 0.000 2.186 1391 F HA 0.012 4.539 4.527 0.001 0.000 0.299 1391 F C 1.629 177.374 175.800 -0.091 0.000 1.090 1391 F CA 1.229 59.158 58.000 -0.119 0.000 1.307 1391 F CB 0.177 39.145 39.000 -0.053 0.000 1.019 1391 F HN -0.088 nan 8.300 nan 0.000 0.489 1392 K N -0.222 120.266 120.400 0.146 0.000 2.504 1392 K HA -0.085 4.236 4.320 0.001 0.000 0.195 1392 K C 0.889 177.447 176.600 -0.071 0.000 1.036 1392 K CA 0.958 57.268 56.287 0.038 0.000 0.984 1392 K CB -0.057 32.474 32.500 0.053 0.000 0.788 1392 K HN 0.333 nan 8.250 nan 0.000 0.488 1393 D N 0.359 120.703 120.400 -0.094 0.000 2.394 1393 D HA 0.072 4.713 4.640 0.001 0.000 0.226 1393 D C 1.901 178.083 176.300 -0.197 0.000 0.990 1393 D CA 0.485 54.413 54.000 -0.120 0.000 0.902 1393 D CB 0.218 40.970 40.800 -0.079 0.000 1.038 1393 D HN 0.069 nan 8.370 nan 0.000 0.499 1394 I N 0.838 121.278 120.570 -0.217 0.000 2.193 1394 I HA -0.165 4.005 4.170 0.001 0.000 0.240 1394 I C 2.394 178.301 176.117 -0.351 0.000 1.084 1394 I CA 0.309 61.450 61.300 -0.265 0.000 1.365 1394 I CB -0.104 37.807 38.000 -0.148 0.000 1.064 1394 I HN -0.103 nan 8.210 nan 0.000 0.410 1395 I N 1.395 121.694 120.570 -0.451 0.000 2.191 1395 I HA -0.416 3.754 4.170 0.001 0.000 0.248 1395 I C 2.385 178.333 176.117 -0.281 0.000 1.061 1395 I CA 2.082 63.101 61.300 -0.469 0.000 1.329 1395 I CB -0.648 37.002 38.000 -0.583 0.000 1.024 1395 I HN 0.230 nan 8.210 nan 0.000 0.423 1396 T N 1.304 115.706 114.554 -0.254 0.000 2.595 1396 T HA -0.203 4.148 4.350 0.001 0.000 0.264 1396 T C 1.841 176.456 174.700 -0.143 0.000 1.058 1396 T CA 1.898 63.917 62.100 -0.135 0.000 1.166 1396 T CB -0.273 68.506 68.868 -0.148 0.000 0.863 1396 T HN 0.296 nan 8.240 nan 0.000 0.415 1397 K N 1.335 121.530 120.400 -0.341 0.000 2.228 1397 K HA -0.028 4.292 4.320 0.001 0.000 0.205 1397 K C 1.113 177.585 176.600 -0.214 0.000 1.045 1397 K CA 0.277 56.283 56.287 -0.468 0.000 0.931 1397 K CB -1.442 30.227 32.500 -1.383 0.000 0.727 1397 K HN 0.285 nan 8.250 nan 0.000 0.458 1398 V N 1.563 121.404 119.914 -0.121 0.000 2.902 1398 V HA -0.181 3.939 4.120 0.001 0.000 0.297 1398 V C 1.764 177.859 176.094 0.002 0.000 1.230 1398 V CA 0.823 63.120 62.300 -0.005 0.000 1.344 1398 V CB 0.586 32.432 31.823 0.038 0.000 0.889 1398 V HN 0.391 nan 8.190 nan 0.000 0.515 1399 A N 3.988 126.811 122.820 0.005 0.000 1.909 1399 A HA 0.097 4.418 4.320 0.001 0.000 0.209 1399 A C 1.326 178.890 177.584 -0.034 0.000 1.247 1399 A CA 0.709 52.737 52.037 -0.015 0.000 0.660 1399 A CB -0.294 18.702 19.000 -0.007 0.000 0.910 1399 A HN 0.805 nan 8.150 nan 0.000 0.465 1400 N N 1.080 119.767 118.700 -0.022 0.000 2.466 1400 N HA 0.194 4.934 4.740 0.001 0.000 0.263 1400 N C 0.767 176.260 175.510 -0.027 0.000 1.178 1400 N CA 0.217 53.252 53.050 -0.026 0.000 0.983 1400 N CB 0.330 38.809 38.487 -0.014 0.000 1.331 1400 N HN 0.019 nan 8.380 nan 0.000 0.500 1401 V N 2.615 122.474 119.914 -0.091 0.000 2.428 1401 V HA -0.282 3.838 4.120 0.001 0.000 0.255 1401 V C 2.133 178.212 176.094 -0.025 0.000 1.080 1401 V CA 1.632 63.806 62.300 -0.209 0.000 1.083 1401 V CB -0.492 31.177 31.823 -0.257 0.000 0.665 1401 V HN 0.655 nan 8.190 nan 0.000 0.461 1402 E N 0.056 120.302 120.200 0.076 0.000 2.147 1402 E HA -0.247 4.104 4.350 0.001 0.000 0.199 1402 E C 2.168 178.889 176.600 0.202 0.000 1.005 1402 E CA 1.365 57.878 56.400 0.189 0.000 0.810 1402 E CB -0.383 29.357 29.700 0.067 0.000 0.736 1402 E HN 0.562 nan 8.360 nan 0.000 0.460 1403 L N 0.043 121.343 121.223 0.127 0.000 2.263 1403 L HA -0.236 4.105 4.340 0.001 0.000 0.216 1403 L C 2.339 179.310 176.870 0.168 0.000 1.111 1403 L CA 1.088 56.004 54.840 0.126 0.000 0.773 1403 L CB -0.620 41.489 42.059 0.083 0.000 0.906 1403 L HN 0.159 nan 8.230 nan 0.000 0.439 1404 Y N -0.511 119.707 120.300 -0.137 0.000 2.089 1404 Y HA -0.241 4.309 4.550 0.001 0.000 0.282 1404 Y C 2.547 178.238 175.900 -0.349 0.000 1.139 1404 Y CA 1.258 59.171 58.100 -0.311 0.000 1.123 1404 Y CB -1.153 36.953 38.460 -0.590 0.000 0.980 1404 Y HN 0.067 nan 8.280 nan 0.000 0.493 1405 Y N -0.686 119.663 120.300 0.081 0.000 2.333 1405 Y HA -0.183 4.368 4.550 0.001 0.000 0.290 1405 Y C 2.598 178.441 175.900 -0.094 0.000 1.144 1405 Y CA 1.487 59.537 58.100 -0.084 0.000 1.228 1405 Y CB -0.503 37.868 38.460 -0.147 0.000 0.985 1405 Y HN 0.005 nan 8.280 nan 0.000 0.542 1406 R N 0.149 120.714 120.500 0.107 0.000 2.200 1406 R HA 0.028 4.369 4.340 0.001 0.000 0.208 1406 R C 2.118 178.508 176.300 0.151 0.000 1.033 1406 R CA 0.803 56.959 56.100 0.095 0.000 1.000 1406 R CB -0.135 30.220 30.300 0.092 0.000 0.906 1406 R HN 0.303 nan 8.270 nan 0.000 0.462 1407 A N 0.909 123.821 122.820 0.153 0.000 1.903 1407 A HA 0.020 4.341 4.320 0.001 0.000 0.213 1407 A C 2.006 179.731 177.584 0.236 0.000 1.185 1407 A CA 0.508 52.701 52.037 0.261 0.000 0.628 1407 A CB -0.296 18.863 19.000 0.265 0.000 0.830 1407 A HN 0.248 nan 8.150 nan 0.000 0.446 1408 I N -0.144 120.474 120.570 0.080 0.000 2.113 1408 I HA -0.401 3.770 4.170 0.001 0.000 0.242 1408 I C 2.853 179.102 176.117 0.220 0.000 1.064 1408 I CA 2.232 63.593 61.300 0.103 0.000 1.320 1408 I CB -0.399 37.602 38.000 0.002 0.000 1.028 1408 I HN 0.570 nan 8.210 nan 0.000 0.406 1409 Q N 0.637 120.513 119.800 0.127 0.000 2.061 1409 Q HA -0.283 4.058 4.340 0.001 0.000 0.204 1409 Q C 2.273 178.412 176.000 0.231 0.000 0.984 1409 Q CA 2.251 58.154 55.803 0.166 0.000 0.846 1409 Q CB -0.322 28.442 28.738 0.044 0.000 0.902 1409 Q HN 0.459 nan 8.270 nan 0.000 0.421 1410 F N -0.051 119.992 119.950 0.156 0.000 2.046 1410 F HA -0.285 4.242 4.527 0.001 0.000 0.297 1410 F C 1.753 177.668 175.800 0.192 0.000 1.123 1410 F CA 1.818 59.942 58.000 0.206 0.000 1.199 1410 F CB -0.635 38.486 39.000 0.202 0.000 0.972 1410 F HN 0.150 nan 8.300 nan 0.000 0.474 1411 Y N 0.043 120.406 120.300 0.105 0.000 2.207 1411 Y HA -0.236 4.315 4.550 0.001 0.000 0.287 1411 Y C 2.275 178.095 175.900 -0.134 0.000 1.156 1411 Y CA 1.753 59.806 58.100 -0.078 0.000 1.182 1411 Y CB -0.990 37.491 38.460 0.036 0.000 0.979 1411 Y HN 0.239 nan 8.280 nan 0.000 0.521 1412 L N 0.348 121.652 121.223 0.135 0.000 2.083 1412 L HA -0.181 4.160 4.340 0.001 0.000 0.209 1412 L C 2.171 178.962 176.870 -0.131 0.000 1.083 1412 L CA 2.071 56.948 54.840 0.061 0.000 0.752 1412 L CB -0.741 41.462 42.059 0.240 0.000 0.899 1412 L HN 0.310 nan 8.230 nan 0.000 0.433 1413 E N -1.909 118.120 120.200 -0.284 0.000 2.230 1413 E HA -0.119 4.232 4.350 0.001 0.000 0.192 1413 E C 1.166 177.201 176.600 -0.941 0.000 0.987 1413 E CA 0.748 56.768 56.400 -0.634 0.000 0.841 1413 E CB 0.064 29.262 29.700 -0.837 0.000 0.783 1413 E HN 0.572 nan 8.360 nan 0.000 0.481 1414 F N -0.367 119.308 119.950 -0.458 0.000 2.767 1414 F HA 0.372 4.899 4.527 0.001 0.000 0.323 1414 F C 0.047 175.517 175.800 -0.550 0.000 1.091 1414 F CA -0.208 57.467 58.000 -0.541 0.000 1.192 1414 F CB 1.013 39.550 39.000 -0.773 0.000 1.056 1414 F HN -0.267 nan 8.300 nan 0.000 0.571 1415 K N 0.088 120.261 120.400 -0.378 0.000 3.157 1415 K HA 0.233 4.553 4.320 0.001 0.000 0.173 1415 K C -2.449 174.052 176.600 -0.165 0.000 1.127 1415 K CA -1.088 54.983 56.287 -0.360 0.000 0.849 1415 K CB 1.428 33.513 32.500 -0.691 0.000 1.038 1415 K HN -0.188 nan 8.250 nan 0.000 0.603 1416 P HA -0.171 nan 4.420 nan 0.000 0.215 1416 P C 0.954 178.240 177.300 -0.024 0.000 1.157 1416 P CA 1.065 64.126 63.100 -0.066 0.000 0.868 1416 P CB 0.269 31.916 31.700 -0.088 0.000 0.788 1417 L N -1.697 119.511 121.223 -0.025 0.000 2.275 1417 L HA -0.108 4.232 4.340 0.001 0.000 0.215 1417 L C 2.099 179.003 176.870 0.057 0.000 1.119 1417 L CA 1.048 55.892 54.840 0.006 0.000 0.790 1417 L CB -0.766 41.293 42.059 0.001 0.000 0.919 1417 L HN -0.008 nan 8.230 nan 0.000 0.443 1418 L N -1.061 120.225 121.223 0.105 0.000 2.567 1418 L HA -0.050 4.290 4.340 0.001 0.000 0.225 1418 L C 2.248 179.295 176.870 0.296 0.000 1.119 1418 L CA -0.159 54.823 54.840 0.237 0.000 0.871 1418 L CB -0.147 42.117 42.059 0.341 0.000 1.036 1418 L HN 0.202 nan 8.230 nan 0.000 0.459 1419 L N 0.375 121.731 121.223 0.220 0.000 2.127 1419 L HA -0.174 4.167 4.340 0.001 0.000 0.211 1419 L C 2.212 179.084 176.870 0.003 0.000 1.089 1419 L CA 1.733 56.650 54.840 0.128 0.000 0.757 1419 L CB -0.580 41.517 42.059 0.063 0.000 0.899 1419 L HN 0.275 nan 8.230 nan 0.000 0.434 1420 N N -0.113 118.591 118.700 0.007 0.000 2.109 1420 N HA -0.149 4.591 4.740 0.001 0.000 0.188 1420 N C 1.350 176.871 175.510 0.019 0.000 1.034 1420 N CA 1.672 54.722 53.050 -0.001 0.000 0.846 1420 N CB -0.250 38.248 38.487 0.019 0.000 1.010 1420 N HN 0.418 nan 8.380 nan 0.000 0.425 1421 D N 1.229 121.654 120.400 0.042 0.000 2.218 1421 D HA -0.098 4.542 4.640 0.001 0.000 0.204 1421 D C 1.837 178.143 176.300 0.010 0.000 0.976 1421 D CA 0.223 54.250 54.000 0.044 0.000 0.853 1421 D CB -0.050 40.793 40.800 0.071 0.000 0.939 1421 D HN 0.161 nan 8.370 nan 0.000 0.481 1422 L N 0.225 121.427 121.223 -0.035 0.000 2.131 1422 L HA 0.089 4.429 4.340 0.001 0.000 0.206 1422 L C 0.815 177.586 176.870 -0.165 0.000 1.087 1422 L CA 0.622 55.369 54.840 -0.155 0.000 0.767 1422 L CB -0.353 41.453 42.059 -0.421 0.000 0.917 1422 L HN 0.050 nan 8.230 nan 0.000 0.441 1426 L N 1.217 122.379 121.223 -0.102 0.000 2.313 1426 L HA 0.097 4.438 4.340 0.001 0.000 0.214 1426 L C 2.652 179.641 176.870 0.199 0.000 1.119 1426 L CA 1.425 56.226 54.840 -0.065 0.000 0.809 1426 L CB -0.575 41.323 42.059 -0.269 0.000 0.933 1426 L HN 0.412 nan 8.230 nan 0.000 0.449 1427 S N 0.875 116.690 115.700 0.193 0.000 2.412 1427 S HA -0.214 4.256 4.470 0.001 0.000 0.246 1427 S C -0.224 174.536 174.600 0.267 0.000 1.073 1427 S CA 2.281 60.684 58.200 0.337 0.000 1.186 1427 S CB -1.434 61.984 63.200 0.363 0.000 1.084 1427 S HN 0.311 nan 8.310 nan 0.000 0.434 1428 P HA -0.117 nan 4.420 nan 0.000 0.217 1428 P C 1.049 178.390 177.300 0.068 0.000 1.151 1428 P CA 1.441 64.628 63.100 0.145 0.000 0.849 1428 P CB 0.004 31.770 31.700 0.109 0.000 0.787 1429 R N -2.502 118.019 120.500 0.036 0.000 2.437 1429 R HA 0.217 4.557 4.340 0.001 0.000 0.257 1429 R C 0.025 176.207 176.300 -0.197 0.000 0.927 1429 R CA -0.517 55.513 56.100 -0.118 0.000 1.078 1429 R CB 0.009 30.152 30.300 -0.262 0.000 1.161 1429 R HN 0.101 nan 8.270 nan 0.000 0.529 1430 L N 2.077 123.216 121.223 -0.140 0.000 2.331 1430 L HA 0.127 4.467 4.340 0.001 0.000 0.278 1430 L C -0.141 176.522 176.870 -0.345 0.000 1.106 1430 L CA -0.119 54.597 54.840 -0.207 0.000 0.824 1430 L CB 0.909 42.887 42.059 -0.136 0.000 1.142 1430 L HN -0.076 nan 8.230 nan 0.000 0.443 1431 D N 3.376 123.760 120.400 -0.027 0.000 2.508 1431 D HA -0.001 4.639 4.640 0.001 0.000 0.224 1431 D C 1.273 177.576 176.300 0.005 0.000 1.171 1431 D CA 0.120 54.099 54.000 -0.036 0.000 1.006 1431 D CB 0.126 40.942 40.800 0.026 0.000 1.073 1431 D HN 0.508 nan 8.370 nan 0.000 0.513 1432 H N 1.493 120.661 119.070 0.163 0.000 2.400 1432 H HA -0.160 4.397 4.556 0.001 0.000 0.295 1432 H C 1.484 176.909 175.328 0.162 0.000 1.118 1432 H CA 1.874 58.050 56.048 0.214 0.000 1.256 1432 H CB -0.470 29.381 29.762 0.148 0.000 1.365 1432 H HN 0.373 nan 8.280 nan 0.000 0.502 1433 T N 0.726 115.397 114.554 0.194 0.000 2.777 1433 T HA -0.127 4.224 4.350 0.001 0.000 0.266 1433 T C 2.120 176.877 174.700 0.095 0.000 1.040 1433 T CA 1.332 63.506 62.100 0.123 0.000 1.141 1433 T CB -0.037 68.872 68.868 0.069 0.000 0.868 1433 T HN 0.395 nan 8.240 nan 0.000 0.444 1434 R N 1.103 121.640 120.500 0.062 0.000 2.096 1434 R HA -0.008 4.332 4.340 0.001 0.000 0.235 1434 R C 2.523 178.857 176.300 0.058 0.000 1.127 1434 R CA 1.383 57.486 56.100 0.007 0.000 0.968 1434 R CB -0.428 29.803 30.300 -0.114 0.000 0.861 1434 R HN 0.357 nan 8.270 nan 0.000 0.440 1435 A N 0.433 123.337 122.820 0.141 0.000 1.855 1435 A HA -0.081 4.239 4.320 0.001 0.000 0.215 1435 A C 2.272 179.873 177.584 0.028 0.000 1.191 1435 A CA 1.589 53.663 52.037 0.063 0.000 0.613 1435 A CB -0.620 18.509 19.000 0.215 0.000 0.829 1435 A HN 0.214 nan 8.150 nan 0.000 0.442 1436 V N 1.085 121.151 119.914 0.252 0.000 2.343 1436 V HA -0.319 3.802 4.120 0.001 0.000 0.247 1436 V C 2.202 178.399 176.094 0.172 0.000 1.051 1436 V CA 2.183 64.665 62.300 0.302 0.000 1.036 1436 V CB -1.280 30.691 31.823 0.246 0.000 0.654 1436 V HN 0.610 nan 8.190 nan 0.000 0.451 1437 N N -0.669 118.096 118.700 0.109 0.000 2.036 1437 N HA -0.285 4.456 4.740 0.001 0.000 0.195 1437 N C 1.976 177.527 175.510 0.068 0.000 1.037 1437 N CA 2.033 55.128 53.050 0.074 0.000 0.855 1437 N CB -0.350 38.168 38.487 0.051 0.000 1.033 1437 N HN 0.594 nan 8.380 nan 0.000 0.423 1438 Y N 1.532 121.773 120.300 -0.098 0.000 2.053 1438 Y HA -0.265 4.286 4.550 0.001 0.000 0.277 1438 Y C 1.977 177.843 175.900 -0.057 0.000 1.159 1438 Y CA 1.593 59.608 58.100 -0.142 0.000 1.125 1438 Y CB -0.782 37.504 38.460 -0.291 0.000 0.969 1438 Y HN -0.030 nan 8.280 nan 0.000 0.492 1439 F N -0.349 119.543 119.950 -0.097 0.000 2.192 1439 F HA -0.212 4.315 4.527 0.001 0.000 0.301 1439 F C 3.009 178.705 175.800 -0.173 0.000 1.079 1439 F CA 1.597 59.473 58.000 -0.207 0.000 1.303 1439 F CB -1.479 37.526 39.000 0.008 0.000 1.024 1439 F HN 0.153 nan 8.300 nan 0.000 0.494 1440 S N -0.326 115.426 115.700 0.086 0.000 2.345 1440 S HA -0.131 4.339 4.470 0.001 0.000 0.219 1440 S C 2.110 176.693 174.600 -0.029 0.000 1.031 1440 S CA 1.026 59.245 58.200 0.032 0.000 0.984 1440 S CB -0.115 63.113 63.200 0.046 0.000 0.874 1440 S HN 0.304 nan 8.310 nan 0.000 0.451 1441 K N 0.456 120.826 120.400 -0.050 0.000 2.103 1441 K HA -0.014 4.307 4.320 0.001 0.000 0.207 1441 K C 1.570 178.107 176.600 -0.105 0.000 1.048 1441 K CA 1.277 57.529 56.287 -0.058 0.000 0.930 1441 K CB -0.208 32.273 32.500 -0.031 0.000 0.716 1441 K HN 0.235 nan 8.250 nan 0.000 0.444 1442 V N 1.623 121.414 119.914 -0.206 0.000 3.630 1442 V HA -0.034 4.087 4.120 0.001 0.000 0.273 1442 V C 0.011 176.025 176.094 -0.134 0.000 1.248 1442 V CA 0.322 62.482 62.300 -0.235 0.000 1.170 1442 V CB -1.037 30.476 31.823 -0.516 0.000 0.899 1442 V HN 0.345 nan 8.190 nan 0.000 0.457 1443 K N 0.958 121.306 120.400 -0.087 0.000 3.777 1443 K HA -0.292 4.029 4.320 0.001 0.000 0.276 1443 K C 0.821 177.384 176.600 -0.062 0.000 0.877 1443 K CA 0.467 56.720 56.287 -0.058 0.000 0.724 1443 K CB -0.573 31.894 32.500 -0.054 0.000 1.589 1443 K HN 0.410 nan 8.250 nan 0.000 0.444 1444 Q N 0.133 119.902 119.800 -0.050 0.000 2.113 1444 Q HA 0.257 4.598 4.340 0.001 0.000 0.225 1444 Q C 1.182 177.118 176.000 -0.107 0.000 0.786 1444 Q CA 0.007 55.763 55.803 -0.077 0.000 0.989 1444 Q CB 0.549 29.243 28.738 -0.074 0.000 1.174 1444 Q HN 0.524 nan 8.270 nan 0.000 0.470 1445 L N 0.621 121.813 121.223 -0.052 0.000 2.137 1445 L HA -0.166 4.175 4.340 0.001 0.000 0.213 1445 L C -0.813 175.997 176.870 -0.100 0.000 1.085 1445 L CA 1.389 56.193 54.840 -0.059 0.000 0.760 1445 L CB -1.351 40.696 42.059 -0.020 0.000 0.893 1445 L HN 0.184 nan 8.230 nan 0.000 0.434 1446 P HA -0.153 nan 4.420 nan 0.000 0.223 1446 P C 1.896 179.139 177.300 -0.094 0.000 1.151 1446 P CA 1.076 64.123 63.100 -0.088 0.000 0.787 1446 P CB 0.144 31.804 31.700 -0.068 0.000 0.788 1447 L N -0.044 121.104 121.223 -0.125 0.000 2.095 1447 L HA -0.028 4.312 4.340 0.001 0.000 0.204 1447 L C 1.332 178.108 176.870 -0.155 0.000 1.080 1447 L CA 1.419 56.178 54.840 -0.135 0.000 0.759 1447 L CB -0.172 41.789 42.059 -0.163 0.000 0.914 1447 L HN -0.107 nan 8.230 nan 0.000 0.439 1448 V N -3.365 116.411 119.914 -0.231 0.000 3.416 1448 V HA 0.004 4.124 4.120 0.001 0.000 0.334 1448 V C 1.878 177.960 176.094 -0.020 0.000 1.271 1448 V CA 0.162 62.351 62.300 -0.185 0.000 1.274 1448 V CB -0.546 31.016 31.823 -0.435 0.000 1.153 1448 V HN 0.349 nan 8.190 nan 0.000 0.433 1449 K N 1.736 122.104 120.400 -0.052 0.000 1.991 1449 K HA -0.107 4.213 4.320 0.001 0.000 0.212 1449 K C -0.275 176.321 176.600 -0.006 0.000 1.049 1449 K CA 2.133 58.392 56.287 -0.048 0.000 0.932 1449 K CB -1.130 31.338 32.500 -0.054 0.000 0.717 1449 K HN 0.460 nan 8.250 nan 0.000 0.441 1450 P HA -0.215 nan 4.420 nan 0.000 0.218 1450 P C 1.011 178.356 177.300 0.075 0.000 1.152 1450 P CA 1.350 64.476 63.100 0.044 0.000 0.857 1450 P CB -0.167 31.561 31.700 0.047 0.000 0.787 1451 Y N -0.093 120.195 120.300 -0.020 0.000 2.220 1451 Y HA -0.094 4.456 4.550 0.001 0.000 0.291 1451 Y C 2.018 177.921 175.900 0.006 0.000 1.129 1451 Y CA 1.179 59.284 58.100 0.008 0.000 1.161 1451 Y CB -1.116 37.359 38.460 0.025 0.000 0.997 1451 Y HN -0.208 nan 8.280 nan 0.000 0.522 1452 L N 0.170 121.218 121.223 -0.293 0.000 1.989 1452 L HA -0.261 4.079 4.340 0.001 0.000 0.211 1452 L C 2.701 179.390 176.870 -0.301 0.000 1.071 1452 L CA 1.910 56.502 54.840 -0.413 0.000 0.749 1452 L CB -0.571 41.366 42.059 -0.204 0.000 0.890 1452 L HN 0.188 nan 8.230 nan 0.000 0.431 1453 R N -0.108 120.306 120.500 -0.144 0.000 2.083 1453 R HA -0.191 4.149 4.340 0.001 0.000 0.237 1453 R C 2.513 178.735 176.300 -0.130 0.000 1.137 1453 R CA 1.803 57.857 56.100 -0.077 0.000 0.951 1453 R CB -0.695 29.612 30.300 0.012 0.000 0.851 1453 R HN 0.446 nan 8.270 nan 0.000 0.434 1454 S N 0.049 115.678 115.700 -0.117 0.000 2.440 1454 S HA -0.111 4.359 4.470 0.001 0.000 0.240 1454 S C 1.851 176.337 174.600 -0.192 0.000 1.014 1454 S CA 1.462 59.602 58.200 -0.098 0.000 0.980 1454 S CB -0.035 63.163 63.200 -0.002 0.000 0.775 1454 S HN 0.141 nan 8.310 nan 0.000 0.499 1455 V N 0.798 120.512 119.914 -0.334 0.000 3.048 1455 V HA 0.092 4.212 4.120 0.001 0.000 0.241 1455 V C 2.496 178.338 176.094 -0.419 0.000 1.129 1455 V CA 0.890 62.942 62.300 -0.413 0.000 1.128 1455 V CB -0.485 30.956 31.823 -0.637 0.000 0.849 1455 V HN 0.577 nan 8.190 nan 0.000 0.475 1456 Q N 2.231 121.781 119.800 -0.417 0.000 2.250 1456 Q HA -0.350 3.990 4.340 0.001 0.000 0.215 1456 Q C 1.597 177.065 176.000 -0.887 0.000 1.002 1456 Q CA 2.732 58.209 55.803 -0.543 0.000 0.910 1456 Q CB -0.429 28.030 28.738 -0.465 0.000 0.939 1456 Q HN 0.915 nan 8.270 nan 0.000 0.416 1457 N N -1.396 116.899 118.700 -0.675 0.000 2.651 1457 N HA -0.175 4.566 4.740 0.001 0.000 0.193 1457 N C 0.423 175.749 175.510 -0.305 0.000 1.149 1457 N CA 1.502 54.284 53.050 -0.447 0.000 0.933 1457 N CB -0.308 38.099 38.487 -0.134 0.000 0.974 1457 N HN 0.493 nan 8.380 nan 0.000 0.448 1458 H N -1.052 117.856 119.070 -0.270 0.000 2.539 1458 H HA 0.144 4.700 4.556 0.001 0.000 0.269 1458 H C 0.145 175.421 175.328 -0.086 0.000 0.980 1458 H CA -0.309 55.662 56.048 -0.128 0.000 1.152 1458 H CB 0.090 29.763 29.762 -0.148 0.000 1.407 1458 H HN 0.229 nan 8.280 nan 0.000 0.564 1459 N N 1.530 120.178 118.700 -0.087 0.000 2.721 1459 N HA -0.246 4.494 4.740 0.001 0.000 0.249 1459 N C -0.787 174.750 175.510 0.044 0.000 1.072 1459 N CA 0.292 53.361 53.050 0.032 0.000 0.710 1459 N CB -1.175 37.444 38.487 0.221 0.000 0.993 1459 N HN 0.430 nan 8.380 nan 0.000 0.547 1460 N N 0.892 119.586 118.700 -0.010 0.000 2.508 1460 N HA 0.027 4.767 4.740 0.001 0.000 0.264 1460 N C 1.060 176.588 175.510 0.031 0.000 1.216 1460 N CA 0.334 53.397 53.050 0.022 0.000 0.943 1460 N CB 0.903 39.395 38.487 0.008 0.000 1.113 1460 N HN 0.460 nan 8.380 nan 0.000 0.447 1461 K N 1.644 122.079 120.400 0.059 0.000 1.975 1461 K HA -0.128 4.192 4.320 0.001 0.000 0.210 1461 K C 1.883 178.520 176.600 0.062 0.000 1.041 1461 K CA 1.668 58.003 56.287 0.080 0.000 0.942 1461 K CB -0.467 32.081 32.500 0.080 0.000 0.729 1461 K HN 0.681 nan 8.250 nan 0.000 0.439 1462 S N 0.445 116.178 115.700 0.056 0.000 2.423 1462 S HA -0.142 4.328 4.470 0.001 0.000 0.238 1462 S C 2.036 176.657 174.600 0.036 0.000 1.028 1462 S CA 1.574 59.806 58.200 0.053 0.000 1.000 1462 S CB -0.753 62.486 63.200 0.065 0.000 0.797 1462 S HN 0.186 nan 8.310 nan 0.000 0.487 1463 V N 3.080 123.002 119.914 0.014 0.000 2.244 1463 V HA -0.164 3.956 4.120 0.001 0.000 0.244 1463 V C 2.623 178.675 176.094 -0.070 0.000 1.042 1463 V CA 2.038 64.313 62.300 -0.042 0.000 1.006 1463 V CB -0.986 30.775 31.823 -0.103 0.000 0.641 1463 V HN 0.498 nan 8.190 nan 0.000 0.446 1464 N N 0.290 118.956 118.700 -0.057 0.000 2.043 1464 N HA -0.177 4.563 4.740 0.001 0.000 0.193 1464 N C 1.776 177.257 175.510 -0.048 0.000 1.037 1464 N CA 1.646 54.659 53.050 -0.062 0.000 0.851 1464 N CB -0.478 37.986 38.487 -0.038 0.000 1.027 1464 N HN 0.559 nan 8.380 nan 0.000 0.422 1465 E N 0.594 120.803 120.200 0.015 0.000 2.070 1465 E HA -0.161 4.190 4.350 0.001 0.000 0.197 1465 E C 1.906 178.495 176.600 -0.017 0.000 1.004 1465 E CA 1.074 57.494 56.400 0.034 0.000 0.805 1465 E CB -0.320 29.422 29.700 0.069 0.000 0.744 1465 E HN 0.266 nan 8.360 nan 0.000 0.451 1466 S N 0.743 116.426 115.700 -0.028 0.000 2.355 1466 S HA -0.129 4.341 4.470 0.001 0.000 0.222 1466 S C 2.011 176.529 174.600 -0.137 0.000 1.031 1466 S CA 0.678 58.848 58.200 -0.050 0.000 0.993 1466 S CB -0.133 63.062 63.200 -0.010 0.000 0.859 1466 S HN 0.135 nan 8.310 nan 0.000 0.453 1467 L N 2.594 123.709 121.223 -0.181 0.000 2.046 1467 L HA -0.009 4.332 4.340 0.001 0.000 0.208 1467 L C 1.782 178.313 176.870 -0.564 0.000 1.077 1467 L CA 1.866 56.483 54.840 -0.371 0.000 0.747 1467 L CB -1.152 40.742 42.059 -0.275 0.000 0.896 1467 L HN 0.266 nan 8.230 nan 0.000 0.432 1468 N N -0.130 118.428 118.700 -0.237 0.000 2.166 1468 N HA -0.161 4.579 4.740 0.001 0.000 0.186 1468 N C 1.598 177.057 175.510 -0.084 0.000 1.019 1468 N CA 1.307 54.319 53.050 -0.062 0.000 0.856 1468 N CB -0.552 37.938 38.487 0.005 0.000 0.993 1468 N HN 0.351 nan 8.380 nan 0.000 0.426 1469 N N 0.474 119.110 118.700 -0.107 0.000 2.149 1469 N HA -0.054 4.687 4.740 0.001 0.000 0.188 1469 N C 1.606 177.052 175.510 -0.107 0.000 1.019 1469 N CA 0.573 53.575 53.050 -0.080 0.000 0.857 1469 N CB -0.245 38.202 38.487 -0.067 0.000 0.997 1469 N HN 0.240 nan 8.380 nan 0.000 0.426 1470 L N -0.788 120.301 121.223 -0.223 0.000 1.988 1470 L HA -0.122 4.218 4.340 0.001 0.000 0.207 1470 L C 1.685 178.489 176.870 -0.109 0.000 1.071 1470 L CA 0.986 55.689 54.840 -0.229 0.000 0.744 1470 L CB -0.488 41.341 42.059 -0.383 0.000 0.893 1470 L HN 0.090 nan 8.230 nan 0.000 0.433 1471 F N 0.089 120.055 119.950 0.028 0.000 2.192 1471 F HA -0.261 4.266 4.527 0.001 0.000 0.301 1471 F C 2.370 178.250 175.800 0.133 0.000 1.079 1471 F CA 1.104 59.146 58.000 0.071 0.000 1.303 1471 F CB -0.942 38.102 39.000 0.073 0.000 1.024 1471 F HN 0.022 nan 8.300 nan 0.000 0.494 1472 I N -0.299 120.387 120.570 0.193 0.000 2.193 1472 I HA -0.251 3.919 4.170 0.001 0.000 0.240 1472 I C 2.381 178.529 176.117 0.051 0.000 1.084 1472 I CA 1.860 63.166 61.300 0.009 0.000 1.365 1472 I CB -1.045 36.866 38.000 -0.149 0.000 1.064 1472 I HN 0.163 nan 8.210 nan 0.000 0.410 1473 T N -0.672 113.906 114.554 0.038 0.000 2.929 1473 T HA -0.173 4.177 4.350 0.001 0.000 0.271 1473 T C 1.123 175.878 174.700 0.092 0.000 1.085 1473 T CA 0.980 63.108 62.100 0.047 0.000 1.125 1473 T CB -0.555 68.317 68.868 0.006 0.000 0.874 1473 T HN 0.619 nan 8.240 nan 0.000 0.494 1474 E N 1.403 121.679 120.200 0.126 0.000 2.499 1474 E HA 0.216 4.566 4.350 0.001 0.000 0.207 1474 E C -0.328 176.395 176.600 0.206 0.000 1.034 1474 E CA -0.453 56.030 56.400 0.139 0.000 1.098 1474 E CB -0.481 29.287 29.700 0.114 0.000 1.148 1474 E HN 0.477 nan 8.360 nan 0.000 0.447 1475 E N 1.208 121.586 120.200 0.295 0.000 2.360 1475 E HA -0.228 4.123 4.350 0.001 0.000 0.236 1475 E C -0.365 176.442 176.600 0.346 0.000 1.312 1475 E CA 0.870 57.548 56.400 0.463 0.000 0.714 1475 E CB -0.696 29.222 29.700 0.364 0.000 1.202 1475 E HN 0.375 nan 8.360 nan 0.000 0.386 1476 D N 0.011 120.586 120.400 0.292 0.000 2.494 1476 D HA 0.034 4.675 4.640 0.001 0.000 0.217 1476 D C 0.740 177.031 176.300 -0.015 0.000 1.153 1476 D CA -0.336 53.682 54.000 0.031 0.000 0.954 1476 D CB -0.035 40.808 40.800 0.071 0.000 1.034 1476 D HN 0.314 nan 8.370 nan 0.000 0.518 1477 Y N 1.421 121.606 120.300 -0.191 0.000 2.337 1477 Y HA -0.015 4.535 4.550 0.001 0.000 0.293 1477 Y C 1.959 177.717 175.900 -0.238 0.000 1.123 1477 Y CA 0.593 58.455 58.100 -0.396 0.000 1.201 1477 Y CB -0.481 37.437 38.460 -0.903 0.000 1.011 1477 Y HN 0.201 nan 8.280 nan 0.000 0.545 1478 Q N 1.068 120.482 119.800 -0.645 0.000 2.084 1478 Q HA -0.138 4.203 4.340 0.001 0.000 0.202 1478 Q C 2.620 178.428 176.000 -0.319 0.000 0.978 1478 Q CA 1.480 57.060 55.803 -0.371 0.000 0.844 1478 Q CB -0.340 28.132 28.738 -0.444 0.000 0.898 1478 Q HN 0.683 nan 8.270 nan 0.000 0.426 1479 A N 0.912 123.465 122.820 -0.445 0.000 1.898 1479 A HA -0.167 4.153 4.320 0.001 0.000 0.216 1479 A C 2.037 179.221 177.584 -0.667 0.000 1.181 1479 A CA 1.087 52.711 52.037 -0.690 0.000 0.620 1479 A CB -0.547 17.786 19.000 -1.111 0.000 0.819 1479 A HN 0.338 nan 8.150 nan 0.000 0.442 1480 L N -0.257 120.765 121.223 -0.336 0.000 2.046 1480 L HA -0.117 4.223 4.340 0.001 0.000 0.208 1480 L C 2.334 179.205 176.870 0.002 0.000 1.077 1480 L CA 2.400 57.243 54.840 0.004 0.000 0.747 1480 L CB -0.788 41.444 42.059 0.287 0.000 0.896 1480 L HN 0.376 nan 8.230 nan 0.000 0.432 1481 R N -0.173 120.323 120.500 -0.007 0.000 2.103 1481 R HA -0.166 4.175 4.340 0.001 0.000 0.234 1481 R C 2.190 178.485 176.300 -0.009 0.000 1.132 1481 R CA 2.644 58.762 56.100 0.030 0.000 0.925 1481 R CB -1.454 28.845 30.300 -0.001 0.000 0.842 1481 R HN 0.450 nan 8.270 nan 0.000 0.430 1482 T N 0.025 114.527 114.554 -0.086 0.000 2.699 1482 T HA -0.207 4.143 4.350 0.001 0.000 0.268 1482 T C 1.886 176.540 174.700 -0.076 0.000 1.036 1482 T CA 1.901 63.944 62.100 -0.096 0.000 1.147 1482 T CB -0.621 68.164 68.868 -0.140 0.000 0.862 1482 T HN 0.448 nan 8.240 nan 0.000 0.446 1483 S N 1.441 117.101 115.700 -0.067 0.000 2.368 1483 S HA -0.073 4.397 4.470 0.001 0.000 0.225 1483 S C 1.992 176.557 174.600 -0.058 0.000 1.030 1483 S CA 1.285 59.501 58.200 0.027 0.000 0.999 1483 S CB -0.534 62.740 63.200 0.122 0.000 0.844 1483 S HN 0.692 nan 8.310 nan 0.000 0.459 1484 I N -2.040 118.461 120.570 -0.114 0.000 3.564 1484 I HA 0.194 4.364 4.170 0.001 0.000 0.294 1484 I C 0.929 177.078 176.117 0.054 0.000 1.289 1484 I CA 0.698 61.887 61.300 -0.185 0.000 1.325 1484 I CB -0.150 37.813 38.000 -0.063 0.000 1.039 1484 I HN 0.045 nan 8.210 nan 0.000 0.474 1485 D N 1.639 122.053 120.400 0.023 0.000 2.490 1485 D HA 0.220 4.860 4.640 0.001 0.000 0.244 1485 D C 2.298 178.557 176.300 -0.069 0.000 0.979 1485 D CA 1.340 55.361 54.000 0.035 0.000 0.924 1485 D CB 0.393 41.206 40.800 0.022 0.000 1.075 1485 D HN 0.391 nan 8.370 nan 0.000 0.488 1486 A N -0.321 122.377 122.820 -0.203 0.000 1.935 1486 A HA 0.005 4.326 4.320 0.001 0.000 0.214 1486 A C 0.013 177.211 177.584 -0.643 0.000 1.178 1486 A CA 0.809 52.555 52.037 -0.486 0.000 0.640 1486 A CB -0.241 18.330 19.000 -0.715 0.000 0.825 1486 A HN 0.172 nan 8.150 nan 0.000 0.447 1487 Y N 0.250 120.550 120.300 0.000 0.000 2.328 1487 Y HA 0.395 4.946 4.550 0.001 0.000 0.336 1487 Y C 0.089 176.037 175.900 0.081 0.000 0.960 1487 Y CA -1.429 56.684 58.100 0.022 0.000 1.134 1487 Y CB 1.301 39.754 38.460 -0.011 0.000 1.166 1487 Y HN 0.358 nan 8.280 nan 0.000 0.464 1488 D N -0.473 120.117 120.400 0.317 0.000 2.369 1488 D HA -0.034 4.606 4.640 0.001 0.000 0.211 1488 D C -0.111 176.499 176.300 0.517 0.000 1.077 1488 D CA -0.065 54.213 54.000 0.465 0.000 0.842 1488 D CB -0.277 40.675 40.800 0.254 0.000 0.947 1488 D HN 0.533 nan 8.370 nan 0.000 0.509 1489 N N 0.521 119.471 118.700 0.418 0.000 2.605 1489 N HA 0.281 5.022 4.740 0.001 0.000 0.258 1489 N C -1.201 174.565 175.510 0.427 0.000 1.156 1489 N CA -0.464 52.768 53.050 0.303 0.000 1.008 1489 N CB -0.131 38.468 38.487 0.187 0.000 1.354 1489 N HN 0.095 nan 8.380 nan 0.000 0.509 1490 F N -0.073 119.899 119.950 0.035 0.000 2.799 1490 F HA 0.266 4.794 4.527 0.001 0.000 0.316 1490 F C -1.508 174.298 175.800 0.010 0.000 1.155 1490 F CA -1.625 56.390 58.000 0.025 0.000 0.916 1490 F CB 0.507 39.527 39.000 0.034 0.000 1.294 1490 F HN -0.063 nan 8.300 nan 0.000 0.447 1491 D N 2.364 122.733 120.400 -0.053 0.000 2.435 1491 D HA 0.168 4.809 4.640 0.001 0.000 0.230 1491 D C 1.004 177.158 176.300 -0.244 0.000 1.215 1491 D CA 0.068 53.967 54.000 -0.169 0.000 0.947 1491 D CB 0.235 41.012 40.800 -0.039 0.000 1.048 1491 D HN 0.619 nan 8.370 nan 0.000 0.512 1492 N N 4.496 122.871 118.700 -0.542 0.000 2.104 1492 N HA -0.207 4.533 4.740 0.001 0.000 0.190 1492 N C 1.608 176.978 175.510 -0.233 0.000 1.024 1492 N CA 0.603 53.401 53.050 -0.420 0.000 0.853 1492 N CB 0.081 38.264 38.487 -0.506 0.000 1.008 1492 N HN 0.365 nan 8.380 nan 0.000 0.424 1493 I N 1.780 122.250 120.570 -0.167 0.000 2.226 1493 I HA -0.152 4.019 4.170 0.001 0.000 0.245 1493 I C 2.319 178.406 176.117 -0.051 0.000 1.100 1493 I CA 0.813 62.070 61.300 -0.072 0.000 1.374 1493 I CB -1.217 36.808 38.000 0.041 0.000 1.057 1493 I HN 0.114 nan 8.210 nan 0.000 0.413 1494 S N 1.128 116.808 115.700 -0.033 0.000 2.353 1494 S HA -0.186 4.284 4.470 0.001 0.000 0.222 1494 S C 1.991 176.584 174.600 -0.012 0.000 1.035 1494 S CA 1.202 59.402 58.200 -0.000 0.000 1.025 1494 S CB -0.583 62.623 63.200 0.011 0.000 0.902 1494 S HN 0.297 nan 8.310 nan 0.000 0.440 1495 L N 2.046 123.263 121.223 -0.009 0.000 1.970 1495 L HA -0.105 4.236 4.340 0.001 0.000 0.212 1495 L C 2.476 179.296 176.870 -0.083 0.000 1.071 1495 L CA 2.067 56.914 54.840 0.012 0.000 0.751 1495 L CB -1.294 40.839 42.059 0.123 0.000 0.889 1495 L HN 0.265 nan 8.230 nan 0.000 0.432 1496 A N -1.127 121.545 122.820 -0.248 0.000 1.881 1496 A HA -0.363 3.957 4.320 0.001 0.000 0.219 1496 A C 2.200 179.562 177.584 -0.370 0.000 1.215 1496 A CA 2.432 54.100 52.037 -0.615 0.000 0.648 1496 A CB -0.868 17.286 19.000 -1.410 0.000 0.832 1496 A HN 0.690 nan 8.150 nan 0.000 0.455 1497 Q N -1.464 118.269 119.800 -0.112 0.000 2.084 1497 Q HA -0.213 4.127 4.340 0.001 0.000 0.202 1497 Q C 2.417 178.466 176.000 0.083 0.000 0.978 1497 Q CA 1.679 57.569 55.803 0.144 0.000 0.844 1497 Q CB -0.202 28.634 28.738 0.164 0.000 0.898 1497 Q HN 0.735 nan 8.270 nan 0.000 0.426 1498 R N 0.697 121.215 120.500 0.030 0.000 2.073 1498 R HA -0.133 4.207 4.340 0.001 0.000 0.234 1498 R C 2.071 178.395 176.300 0.040 0.000 1.134 1498 R CA 1.138 57.253 56.100 0.026 0.000 0.952 1498 R CB -0.132 30.174 30.300 0.009 0.000 0.850 1498 R HN 0.208 nan 8.270 nan 0.000 0.433 1499 L N 0.337 121.581 121.223 0.036 0.000 2.109 1499 L HA -0.051 4.289 4.340 0.001 0.000 0.207 1499 L C 2.429 179.384 176.870 0.141 0.000 1.086 1499 L CA 1.215 56.106 54.840 0.086 0.000 0.760 1499 L CB -0.393 41.709 42.059 0.071 0.000 0.910 1499 L HN 0.342 nan 8.230 nan 0.000 0.437 1500 E N 0.898 121.177 120.200 0.131 0.000 2.393 1500 E HA -0.232 4.119 4.350 0.001 0.000 0.201 1500 E C 1.516 178.207 176.600 0.152 0.000 1.025 1500 E CA 1.112 57.623 56.400 0.185 0.000 0.856 1500 E CB 0.188 30.067 29.700 0.300 0.000 0.771 1500 E HN 0.429 nan 8.360 nan 0.000 0.526 1501 K N -0.669 119.807 120.400 0.126 0.000 2.358 1501 K HA 0.066 4.386 4.320 0.001 0.000 0.197 1501 K C 0.439 177.088 176.600 0.081 0.000 1.025 1501 K CA -0.310 56.028 56.287 0.086 0.000 1.104 1501 K CB 0.290 32.819 32.500 0.048 0.000 0.855 1501 K HN 0.132 nan 8.250 nan 0.000 0.531 1502 H N 2.589 121.685 119.070 0.043 0.000 2.871 1502 H HA -0.043 4.513 4.556 0.001 0.000 0.355 1502 H C 0.872 176.245 175.328 0.076 0.000 1.092 1502 H CA 0.948 57.022 56.048 0.044 0.000 1.420 1502 H CB 1.055 30.848 29.762 0.050 0.000 1.400 1502 H HN 0.311 nan 8.280 nan 0.000 0.604 1503 E N 4.195 124.519 120.200 0.207 0.000 2.371 1503 E HA 0.028 4.378 4.350 0.001 0.000 0.194 1503 E C 0.117 176.879 176.600 0.270 0.000 1.012 1503 E CA 0.162 56.676 56.400 0.191 0.000 0.860 1503 E CB 0.362 30.113 29.700 0.086 0.000 0.811 1503 E HN 0.347 nan 8.360 nan 0.000 0.502 1504 L N 1.997 123.514 121.223 0.489 0.000 2.290 1504 L HA 0.225 4.566 4.340 0.001 0.000 0.284 1504 L C 1.474 178.400 176.870 0.094 0.000 1.078 1504 L CA -0.412 54.571 54.840 0.238 0.000 0.815 1504 L CB 1.146 43.351 42.059 0.244 0.000 1.162 1504 L HN 0.126 nan 8.230 nan 0.000 0.435 1505 I N 1.554 122.118 120.570 -0.011 0.000 2.264 1505 I HA -0.286 3.885 4.170 0.001 0.000 0.248 1505 I C 1.814 177.827 176.117 -0.173 0.000 1.111 1505 I CA 1.340 62.602 61.300 -0.064 0.000 1.382 1505 I CB -0.003 37.947 38.000 -0.084 0.000 1.060 1505 I HN 0.735 nan 8.210 nan 0.000 0.418 1506 E N 0.420 120.387 120.200 -0.389 0.000 2.153 1506 E HA -0.178 4.173 4.350 0.001 0.000 0.194 1506 E C 1.910 178.217 176.600 -0.489 0.000 0.988 1506 E CA 1.320 57.319 56.400 -0.668 0.000 0.811 1506 E CB -0.151 28.622 29.700 -1.545 0.000 0.746 1506 E HN 0.376 nan 8.360 nan 0.000 0.466 1507 F N 0.381 120.192 119.950 -0.231 0.000 2.219 1507 F HA 0.085 4.613 4.527 0.001 0.000 0.294 1507 F C 2.063 177.831 175.800 -0.052 0.000 1.086 1507 F CA 0.769 58.669 58.000 -0.167 0.000 1.330 1507 F CB -0.215 38.543 39.000 -0.403 0.000 1.047 1507 F HN -0.147 nan 8.300 nan 0.000 0.495 1508 R N -0.040 120.560 120.500 0.166 0.000 2.159 1508 R HA -0.135 4.205 4.340 0.001 0.000 0.237 1508 R C 2.175 178.539 176.300 0.106 0.000 1.131 1508 R CA 1.191 57.376 56.100 0.142 0.000 0.982 1508 R CB -0.331 30.040 30.300 0.118 0.000 0.868 1508 R HN 0.262 nan 8.270 nan 0.000 0.453 1509 R N 0.300 120.830 120.500 0.049 0.000 2.090 1509 R HA 0.009 4.349 4.340 0.001 0.000 0.228 1509 R C 2.233 178.594 176.300 0.101 0.000 1.110 1509 R CA 1.045 57.169 56.100 0.041 0.000 0.973 1509 R CB -0.147 30.129 30.300 -0.040 0.000 0.869 1509 R HN 0.219 nan 8.270 nan 0.000 0.440 1510 I N 0.498 121.136 120.570 0.114 0.000 2.252 1510 I HA -0.239 3.932 4.170 0.001 0.000 0.245 1510 I C 2.587 178.807 176.117 0.172 0.000 1.102 1510 I CA 1.116 62.536 61.300 0.201 0.000 1.385 1510 I CB -0.523 37.614 38.000 0.228 0.000 1.064 1510 I HN 0.185 nan 8.210 nan 0.000 0.414 1511 A N 1.157 124.046 122.820 0.114 0.000 1.892 1511 A HA -0.266 4.055 4.320 0.001 0.000 0.218 1511 A C 2.583 180.178 177.584 0.018 0.000 1.188 1511 A CA 2.289 54.318 52.037 -0.014 0.000 0.631 1511 A CB -0.971 18.060 19.000 0.051 0.000 0.822 1511 A HN 0.452 nan 8.150 nan 0.000 0.447 1512 A N -1.496 121.430 122.820 0.178 0.000 1.908 1512 A HA -0.175 4.145 4.320 0.001 0.000 0.218 1512 A C 2.175 179.902 177.584 0.237 0.000 1.181 1512 A CA 1.924 54.112 52.037 0.253 0.000 0.627 1512 A CB -0.891 18.225 19.000 0.193 0.000 0.818 1512 A HN 0.852 nan 8.150 nan 0.000 0.445 1513 Y N 0.456 120.798 120.300 0.070 0.000 2.224 1513 Y HA -0.136 4.415 4.550 0.001 0.000 0.289 1513 Y C 1.885 177.814 175.900 0.048 0.000 1.146 1513 Y CA 1.481 59.615 58.100 0.056 0.000 1.182 1513 Y CB -0.476 38.008 38.460 0.040 0.000 0.983 1513 Y HN 0.226 nan 8.280 nan 0.000 0.524 1514 L N -1.514 119.585 121.223 -0.206 0.000 2.017 1514 L HA -0.226 4.114 4.340 0.001 0.000 0.208 1514 L C 2.314 179.054 176.870 -0.216 0.000 1.073 1514 L CA 1.306 55.947 54.840 -0.333 0.000 0.745 1514 L CB -0.749 41.120 42.059 -0.317 0.000 0.894 1514 L HN 0.128 nan 8.230 nan 0.000 0.432 1515 F N 0.429 120.352 119.950 -0.045 0.000 2.126 1515 F HA -0.155 4.372 4.527 0.001 0.000 0.299 1515 F C 1.813 177.592 175.800 -0.036 0.000 1.096 1515 F CA 0.811 58.793 58.000 -0.031 0.000 1.255 1515 F CB -0.648 38.354 39.000 0.003 0.000 0.997 1515 F HN -0.038 nan 8.300 nan 0.000 0.479 1516 K N -0.742 119.761 120.400 0.171 0.000 2.244 1516 K HA 0.408 4.728 4.320 0.001 0.000 0.242 1516 K C 0.461 177.084 176.600 0.039 0.000 1.082 1516 K CA 0.556 56.907 56.287 0.106 0.000 0.841 1516 K CB -0.265 32.316 32.500 0.134 0.000 1.129 1516 K HN 0.269 nan 8.250 nan 0.000 0.516 1517 G N 0.000 108.827 108.800 0.045 0.000 5.446 1517 G HA2 0.000 3.960 3.960 0.001 0.000 0.244 1517 G HA3 0.000 3.960 3.960 0.001 0.000 0.244 1517 G CA 0.000 nan 45.100 nan 0.000 0.502 1517 G HN 0.000 nan 8.290 nan 0.000 0.925