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 1wch_1_A DATA FIRST_RESID 2170 DATA SEQUENCE HSFLTNDELA VLPVVKVLPS GKYTGANLKS VIRVLRGLLD QGIPSKELEN DATA SEQUENCE LQELKPLDQC LIGQTKENRR KNRYKNILPY DATRVPLGDE GGYINASFIK DATA SEQUENCE IPVGKEEFVY IACQGPLPTT VGDFWQMIWE QKSTVIAMMT QEVEGEKIKC DATA SEQUENCE QRYWPNILGK TTMVSNRLRL ALVRMQQLKG FVVRAMTLED IQTREVRHIS DATA SEQUENCE HLNFTAWPDH DTPSQPDDLL TFISYMRHIH RSGPIITHCS AGIGRSGTLI DATA SEQUENCE CIDVVLGLIS QDLDFDISDL VRCMRLQRHG MVQTEDQYIF CYQVILYVLT DATA SEQUENCE RLQAEEEQ 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 2170 H HA 0.000 nan 4.556 nan 0.000 0.296 2170 H C 0.000 175.233 175.328 -0.159 0.000 0.993 2170 H CA 0.000 55.990 56.048 -0.096 0.000 1.023 2170 H CB 0.000 29.730 29.762 -0.052 0.000 1.292 2171 S N 0.556 116.312 115.700 0.093 0.000 2.584 2171 S HA 0.331 4.595 4.470 -0.343 0.000 0.270 2171 S C 0.162 174.743 174.600 -0.031 0.000 1.346 2171 S CA -0.494 57.695 58.200 -0.017 0.000 1.018 2171 S CB 0.259 63.496 63.200 0.063 0.000 0.899 2171 S HN 0.264 nan 8.310 nan 0.000 0.542 2172 F N 0.450 120.419 119.950 0.033 0.000 2.450 2172 F HA 0.262 4.583 4.527 -0.344 0.000 0.339 2172 F C 0.999 176.790 175.800 -0.014 0.000 1.146 2172 F CA -0.950 57.053 58.000 0.006 0.000 1.267 2172 F CB 0.247 39.239 39.000 -0.014 0.000 1.178 2172 F HN 0.348 nan 8.300 nan 0.000 0.585 2173 L N 2.415 123.739 121.223 0.167 0.000 2.513 2173 L HA 0.065 4.199 4.340 -0.343 0.000 0.272 2173 L C 0.559 177.436 176.870 0.011 0.000 1.187 2173 L CA 0.373 55.229 54.840 0.027 0.000 0.895 2173 L CB -0.139 41.849 42.059 -0.118 0.000 1.147 2173 L HN 0.790 nan 8.230 nan 0.000 0.483 2174 T N 0.294 114.853 114.554 0.009 0.000 2.943 2174 T HA 0.304 4.448 4.350 -0.343 0.000 0.284 2174 T C 1.123 175.814 174.700 -0.015 0.000 1.015 2174 T CA -0.721 61.380 62.100 0.001 0.000 1.042 2174 T CB 1.090 69.969 68.868 0.018 0.000 1.055 2174 T HN 0.555 nan 8.240 nan 0.000 0.500 2175 N N 0.556 119.246 118.700 -0.016 0.000 2.166 2175 N HA -0.138 4.396 4.740 -0.343 0.000 0.186 2175 N C 0.912 176.426 175.510 0.007 0.000 1.019 2175 N CA 1.080 54.128 53.050 -0.004 0.000 0.856 2175 N CB -0.077 38.406 38.487 -0.006 0.000 0.993 2175 N HN 0.630 nan 8.380 nan 0.000 0.426 2176 D N 0.939 121.341 120.400 0.004 0.000 2.097 2176 D HA -0.176 4.258 4.640 -0.343 0.000 0.195 2176 D C 1.677 177.977 176.300 0.000 0.000 0.989 2176 D CA 0.918 54.921 54.000 0.005 0.000 0.827 2176 D CB -0.301 40.502 40.800 0.005 0.000 0.966 2176 D HN 0.323 nan 8.370 nan 0.000 0.456 2177 E N 0.021 120.220 120.200 -0.002 0.000 2.118 2177 E HA -0.153 3.991 4.350 -0.343 0.000 0.195 2177 E C 2.135 178.724 176.600 -0.018 0.000 0.992 2177 E CA 0.603 56.995 56.400 -0.013 0.000 0.804 2177 E CB -0.028 29.669 29.700 -0.004 0.000 0.741 2177 E HN 0.252 nan 8.360 nan 0.000 0.458 2178 L N -0.112 121.114 121.223 0.005 0.000 2.131 2178 L HA -0.028 4.106 4.340 -0.343 0.000 0.206 2178 L C 2.585 179.475 176.870 0.034 0.000 1.087 2178 L CA 0.779 55.639 54.840 0.035 0.000 0.767 2178 L CB -0.298 41.801 42.059 0.067 0.000 0.917 2178 L HN 0.151 nan 8.230 nan 0.000 0.441 2179 A N 0.068 122.904 122.820 0.025 0.000 2.019 2179 A HA -0.143 3.971 4.320 -0.343 0.000 0.219 2179 A C 2.215 179.803 177.584 0.007 0.000 1.164 2179 A CA 1.729 53.780 52.037 0.023 0.000 0.644 2179 A CB -0.746 18.266 19.000 0.020 0.000 0.805 2179 A HN 0.343 nan 8.150 nan 0.000 0.449 2180 V N -2.227 117.683 119.914 -0.006 0.000 3.041 2180 V HA 0.189 4.102 4.120 -0.343 0.000 0.260 2180 V C 0.934 177.012 176.094 -0.027 0.000 1.105 2180 V CA 0.170 62.461 62.300 -0.016 0.000 1.125 2180 V CB -1.096 30.714 31.823 -0.022 0.000 0.730 2180 V HN 0.343 nan 8.190 nan 0.000 0.479 2181 L N 3.722 124.923 121.223 -0.037 0.000 2.462 2181 L HA 0.296 4.430 4.340 -0.343 0.000 0.272 2181 L C -1.828 175.038 176.870 -0.007 0.000 1.166 2181 L CA -1.326 53.487 54.840 -0.045 0.000 0.880 2181 L CB 0.245 42.275 42.059 -0.048 0.000 1.142 2181 L HN 0.199 nan 8.230 nan 0.000 0.473 2182 P HA 0.053 nan 4.420 nan 0.000 0.276 2182 P C 0.583 177.884 177.300 0.001 0.000 1.235 2182 P CA -0.304 62.797 63.100 0.001 0.000 0.772 2182 P CB 1.821 33.525 31.700 0.006 0.000 0.871 2183 V N 3.218 123.124 119.914 -0.013 0.000 2.535 2183 V HA -0.020 3.894 4.120 -0.343 0.000 0.246 2183 V C 1.160 177.232 176.094 -0.037 0.000 1.045 2183 V CA 1.179 63.466 62.300 -0.022 0.000 1.058 2183 V CB 0.057 31.856 31.823 -0.040 0.000 0.689 2183 V HN 0.381 nan 8.190 nan 0.000 0.461 2184 V N -0.553 119.334 119.914 -0.045 0.000 2.971 2184 V HA 0.323 4.237 4.120 -0.343 0.000 0.309 2184 V C -0.496 175.581 176.094 -0.030 0.000 1.130 2184 V CA -1.311 60.957 62.300 -0.054 0.000 0.964 2184 V CB 2.406 34.165 31.823 -0.108 0.000 1.029 2184 V HN 0.239 nan 8.190 nan 0.000 0.427 2185 K N 2.920 123.312 120.400 -0.014 0.000 2.316 2185 K HA 0.491 4.605 4.320 -0.343 0.000 0.289 2185 K C -0.369 176.235 176.600 0.007 0.000 1.070 2185 K CA -0.394 55.895 56.287 0.004 0.000 0.928 2185 K CB 1.121 33.633 32.500 0.019 0.000 1.039 2185 K HN 0.674 nan 8.250 nan 0.000 0.480 2186 V N 4.179 124.097 119.914 0.007 0.000 2.508 2186 V HA 0.275 4.188 4.120 -0.343 0.000 0.281 2186 V C -0.152 175.959 176.094 0.029 0.000 1.041 2186 V CA -0.724 61.587 62.300 0.017 0.000 1.016 2186 V CB 0.369 32.197 31.823 0.008 0.000 0.984 2186 V HN 0.491 nan 8.190 nan 0.000 0.478 2187 L N 5.509 126.759 121.223 0.046 0.000 2.358 2187 L HA 0.530 4.664 4.340 -0.343 0.000 0.268 2187 L C -1.201 175.690 176.870 0.035 0.000 1.032 2187 L CA -2.106 52.760 54.840 0.043 0.000 0.805 2187 L CB 0.901 42.995 42.059 0.058 0.000 1.253 2187 L HN 0.384 nan 8.230 nan 0.000 0.452 2188 P HA -0.073 nan 4.420 nan 0.000 0.216 2188 P C 0.696 178.006 177.300 0.017 0.000 1.150 2188 P CA 0.979 64.090 63.100 0.018 0.000 0.837 2188 P CB 0.591 32.298 31.700 0.013 0.000 0.786 2189 S N -3.745 111.966 115.700 0.018 0.000 3.888 2189 S HA 0.631 4.894 4.470 -0.343 0.000 0.307 2189 S C -0.138 174.465 174.600 0.006 0.000 1.122 2189 S CA 0.049 58.254 58.200 0.009 0.000 1.197 2189 S CB 0.711 63.910 63.200 -0.002 0.000 1.533 2189 S HN 0.358 nan 8.310 nan 0.000 0.696 2190 G N 1.391 110.178 108.800 -0.022 0.000 2.512 2190 G HA2 -0.131 3.623 3.960 -0.343 0.000 0.210 2190 G HA3 -0.131 3.623 3.960 -0.343 0.000 0.210 2190 G C -0.082 174.737 174.900 -0.135 0.000 1.295 2190 G CA 0.316 45.383 45.100 -0.055 0.000 0.934 2190 G HN 0.708 nan 8.290 nan 0.000 0.554 2191 K N -0.562 119.669 120.400 -0.281 0.000 2.365 2191 K HA 0.106 4.220 4.320 -0.343 0.000 0.199 2191 K C 0.670 176.870 176.600 -0.667 0.000 1.045 2191 K CA 1.416 57.371 56.287 -0.553 0.000 0.962 2191 K CB 0.047 32.018 32.500 -0.881 0.000 0.759 2191 K HN 0.423 nan 8.250 nan 0.000 0.469 2192 Y N 0.410 120.720 120.300 0.016 0.000 2.722 2192 Y HA 0.261 4.605 4.550 -0.344 0.000 0.314 2192 Y C -0.256 175.648 175.900 0.006 0.000 1.008 2192 Y CA -0.468 57.642 58.100 0.017 0.000 1.294 2192 Y CB 0.621 39.096 38.460 0.025 0.000 1.231 2192 Y HN -0.228 nan 8.280 nan 0.000 0.558 2193 T N -1.289 113.306 114.554 0.069 0.000 2.900 2193 T HA 0.581 4.725 4.350 -0.343 0.000 0.303 2193 T C 0.676 175.387 174.700 0.019 0.000 1.142 2193 T CA -0.340 61.788 62.100 0.047 0.000 1.007 2193 T CB 1.909 70.797 68.868 0.034 0.000 1.156 2193 T HN 0.528 nan 8.240 nan 0.000 0.490 2194 G N 1.730 110.540 108.800 0.017 0.000 2.627 2194 G HA2 -0.148 3.606 3.960 -0.343 0.000 0.312 2194 G HA3 -0.148 3.606 3.960 -0.343 0.000 0.312 2194 G C 1.400 176.303 174.900 0.004 0.000 1.299 2194 G CA 0.708 45.812 45.100 0.007 0.000 0.989 2194 G HN 1.396 nan 8.290 nan 0.000 0.547 2195 A N -0.707 122.111 122.820 -0.004 0.000 1.940 2195 A HA -0.121 3.993 4.320 -0.343 0.000 0.219 2195 A C 2.253 179.829 177.584 -0.014 0.000 1.176 2195 A CA 2.589 54.622 52.037 -0.007 0.000 0.631 2195 A CB -0.572 18.421 19.000 -0.011 0.000 0.814 2195 A HN 0.694 nan 8.150 nan 0.000 0.446 2196 N N -0.275 118.408 118.700 -0.028 0.000 2.120 2196 N HA -0.130 4.404 4.740 -0.343 0.000 0.188 2196 N C 1.571 177.061 175.510 -0.034 0.000 1.024 2196 N CA 1.456 54.474 53.050 -0.053 0.000 0.852 2196 N CB -0.590 37.840 38.487 -0.096 0.000 1.003 2196 N HN 0.438 nan 8.380 nan 0.000 0.424 2197 L N 1.669 122.894 121.223 0.004 0.000 2.046 2197 L HA -0.092 4.041 4.340 -0.343 0.000 0.208 2197 L C 1.766 178.670 176.870 0.056 0.000 1.077 2197 L CA 1.754 56.634 54.840 0.066 0.000 0.747 2197 L CB -0.443 41.666 42.059 0.084 0.000 0.896 2197 L HN 0.008 nan 8.230 nan 0.000 0.432 2198 K N -0.954 119.464 120.400 0.031 0.000 2.097 2198 K HA -0.111 4.003 4.320 -0.343 0.000 0.206 2198 K C 2.102 178.717 176.600 0.025 0.000 1.049 2198 K CA 1.516 57.819 56.287 0.027 0.000 0.933 2198 K CB -0.215 32.295 32.500 0.016 0.000 0.717 2198 K HN 0.322 nan 8.250 nan 0.000 0.442 2199 S N 0.608 116.315 115.700 0.012 0.000 2.368 2199 S HA -0.099 4.164 4.470 -0.343 0.000 0.225 2199 S C 2.069 176.679 174.600 0.017 0.000 1.030 2199 S CA 1.046 59.248 58.200 0.004 0.000 0.999 2199 S CB -0.116 63.073 63.200 -0.017 0.000 0.844 2199 S HN 0.045 nan 8.310 nan 0.000 0.459 2200 V N 2.023 121.956 119.914 0.033 0.000 2.343 2200 V HA -0.150 3.764 4.120 -0.343 0.000 0.247 2200 V C 2.036 178.190 176.094 0.099 0.000 1.051 2200 V CA 1.431 63.776 62.300 0.073 0.000 1.036 2200 V CB -0.638 31.282 31.823 0.163 0.000 0.654 2200 V HN 0.447 nan 8.190 nan 0.000 0.451 2201 I N -0.331 120.294 120.570 0.091 0.000 2.179 2201 I HA -0.265 3.699 4.170 -0.343 0.000 0.242 2201 I C 2.768 178.924 176.117 0.066 0.000 1.088 2201 I CA 1.763 63.112 61.300 0.082 0.000 1.357 2201 I CB -0.426 37.612 38.000 0.063 0.000 1.051 2201 I HN 0.220 nan 8.210 nan 0.000 0.409 2202 R N 0.730 121.258 120.500 0.048 0.000 2.091 2202 R HA -0.171 3.962 4.340 -0.343 0.000 0.238 2202 R C 2.292 178.616 176.300 0.039 0.000 1.136 2202 R CA 1.702 57.824 56.100 0.036 0.000 0.959 2202 R CB -0.196 30.118 30.300 0.023 0.000 0.856 2202 R HN 0.164 nan 8.270 nan 0.000 0.437 2203 V N 1.312 121.251 119.914 0.041 0.000 2.295 2203 V HA -0.263 3.651 4.120 -0.343 0.000 0.246 2203 V C 2.410 178.546 176.094 0.071 0.000 1.049 2203 V CA 1.785 64.110 62.300 0.041 0.000 1.024 2203 V CB -0.399 31.440 31.823 0.026 0.000 0.648 2203 V HN 0.352 nan 8.190 nan 0.000 0.447 2204 L N -0.697 120.591 121.223 0.108 0.000 2.046 2204 L HA -0.183 3.951 4.340 -0.343 0.000 0.208 2204 L C 2.809 179.747 176.870 0.112 0.000 1.077 2204 L CA 1.684 56.623 54.840 0.166 0.000 0.747 2204 L CB -0.584 41.597 42.059 0.204 0.000 0.896 2204 L HN 0.244 nan 8.230 nan 0.000 0.432 2205 R N -0.237 120.311 120.500 0.080 0.000 2.096 2205 R HA -0.118 4.015 4.340 -0.343 0.000 0.235 2205 R C 2.358 178.677 176.300 0.033 0.000 1.127 2205 R CA 1.241 57.373 56.100 0.053 0.000 0.968 2205 R CB -0.697 29.630 30.300 0.045 0.000 0.861 2205 R HN 0.442 nan 8.270 nan 0.000 0.440 2206 G N 1.268 110.087 108.800 0.031 0.000 2.440 2206 G HA2 -0.232 3.521 3.960 -0.343 0.000 0.218 2206 G HA3 -0.232 3.521 3.960 -0.343 0.000 0.218 2206 G C 1.451 176.352 174.900 0.001 0.000 1.154 2206 G CA 0.513 45.622 45.100 0.015 0.000 0.767 2206 G HN 0.130 nan 8.290 nan 0.000 0.552 2207 L N -0.275 120.948 121.223 0.001 0.000 2.017 2207 L HA -0.005 4.129 4.340 -0.343 0.000 0.208 2207 L C 2.914 179.728 176.870 -0.094 0.000 1.073 2207 L CA 0.606 55.417 54.840 -0.049 0.000 0.745 2207 L CB -0.440 41.585 42.059 -0.057 0.000 0.894 2207 L HN 0.175 nan 8.230 nan 0.000 0.432 2208 L N -0.314 120.865 121.223 -0.073 0.000 2.093 2208 L HA -0.227 3.907 4.340 -0.343 0.000 0.208 2208 L C 2.239 179.089 176.870 -0.033 0.000 1.085 2208 L CA 1.310 56.110 54.840 -0.067 0.000 0.755 2208 L CB -0.493 41.558 42.059 -0.015 0.000 0.904 2208 L HN 0.280 nan 8.230 nan 0.000 0.435 2209 D N -0.182 120.209 120.400 -0.015 0.000 2.178 2209 D HA -0.211 4.222 4.640 -0.343 0.000 0.201 2209 D C 1.898 178.191 176.300 -0.012 0.000 0.980 2209 D CA 1.213 55.209 54.000 -0.006 0.000 0.842 2209 D CB 0.146 40.946 40.800 0.001 0.000 0.948 2209 D HN 0.350 nan 8.370 nan 0.000 0.472 2210 Q N -1.015 118.773 119.800 -0.020 0.000 2.280 2210 Q HA 0.258 4.392 4.340 -0.343 0.000 0.201 2210 Q C 1.103 177.087 176.000 -0.026 0.000 0.890 2210 Q CA 0.358 56.150 55.803 -0.019 0.000 0.947 2210 Q CB 0.819 29.547 28.738 -0.017 0.000 1.081 2210 Q HN 0.317 nan 8.270 nan 0.000 0.502 2211 G N 1.630 110.409 108.800 -0.036 0.000 2.198 2211 G HA2 -0.263 3.491 3.960 -0.343 0.000 0.260 2211 G HA3 -0.263 3.491 3.960 -0.343 0.000 0.260 2211 G C 0.715 175.585 174.900 -0.050 0.000 1.025 2211 G CA 0.219 45.297 45.100 -0.037 0.000 0.769 2211 G HN 0.335 nan 8.290 nan 0.000 0.507 2212 I N 0.557 121.081 120.570 -0.077 0.000 2.226 2212 I HA -0.080 3.884 4.170 -0.343 0.000 0.245 2212 I C 0.565 176.635 176.117 -0.078 0.000 1.100 2212 I CA 1.548 62.804 61.300 -0.073 0.000 1.374 2212 I CB -2.018 35.936 38.000 -0.076 0.000 1.057 2212 I HN 0.118 nan 8.210 nan 0.000 0.413 2213 P HA -0.112 nan 4.420 nan 0.000 0.215 2213 P C 2.043 179.406 177.300 0.105 0.000 1.157 2213 P CA 1.691 64.777 63.100 -0.023 0.000 0.874 2213 P CB 0.019 31.560 31.700 -0.264 0.000 0.790 2214 S N -0.496 115.221 115.700 0.029 0.000 2.370 2214 S HA -0.189 4.075 4.470 -0.343 0.000 0.226 2214 S C 1.714 176.281 174.600 -0.054 0.000 1.033 2214 S CA 1.440 59.638 58.200 -0.003 0.000 1.011 2214 S CB -0.671 62.529 63.200 0.001 0.000 0.852 2214 S HN 0.305 nan 8.310 nan 0.000 0.457 2215 K N 0.936 121.312 120.400 -0.039 0.000 2.097 2215 K HA -0.047 4.067 4.320 -0.343 0.000 0.205 2215 K C 2.183 178.747 176.600 -0.060 0.000 1.050 2215 K CA 1.071 57.334 56.287 -0.041 0.000 0.938 2215 K CB -0.115 32.372 32.500 -0.023 0.000 0.718 2215 K HN 0.439 nan 8.250 nan 0.000 0.442 2216 E N 0.918 121.088 120.200 -0.051 0.000 2.051 2216 E HA -0.210 3.934 4.350 -0.343 0.000 0.192 2216 E C 2.010 178.467 176.600 -0.239 0.000 0.991 2216 E CA 0.922 57.287 56.400 -0.059 0.000 0.799 2216 E CB -0.124 29.644 29.700 0.114 0.000 0.748 2216 E HN 0.086 nan 8.360 nan 0.000 0.449 2217 L N 1.812 122.737 121.223 -0.497 0.000 2.042 2217 L HA -0.211 3.923 4.340 -0.343 0.000 0.210 2217 L C 1.982 178.704 176.870 -0.247 0.000 1.076 2217 L CA 1.836 56.334 54.840 -0.571 0.000 0.749 2217 L CB -0.298 41.399 42.059 -0.603 0.000 0.893 2217 L HN 0.065 nan 8.230 nan 0.000 0.432 2218 E N -0.640 119.464 120.200 -0.160 0.000 2.097 2218 E HA -0.242 3.902 4.350 -0.343 0.000 0.196 2218 E C 1.851 178.410 176.600 -0.068 0.000 1.000 2218 E CA 1.378 57.726 56.400 -0.088 0.000 0.804 2218 E CB -0.103 29.562 29.700 -0.059 0.000 0.740 2218 E HN 0.586 nan 8.360 nan 0.000 0.454 2219 N N 0.419 119.078 118.700 -0.068 0.000 2.216 2219 N HA -0.103 4.431 4.740 -0.343 0.000 0.183 2219 N C 1.931 177.419 175.510 -0.037 0.000 1.017 2219 N CA 0.726 53.753 53.050 -0.038 0.000 0.861 2219 N CB -0.174 38.299 38.487 -0.023 0.000 0.986 2219 N HN 0.169 nan 8.380 nan 0.000 0.428 2220 L N 1.324 122.506 121.223 -0.067 0.000 2.131 2220 L HA -0.127 4.007 4.340 -0.343 0.000 0.210 2220 L C 1.944 178.788 176.870 -0.043 0.000 1.092 2220 L CA 0.961 55.770 54.840 -0.052 0.000 0.759 2220 L CB -0.307 41.700 42.059 -0.087 0.000 0.903 2220 L HN 0.167 nan 8.230 nan 0.000 0.435 2221 Q N -0.545 119.222 119.800 -0.054 0.000 2.515 2221 Q HA -0.157 3.977 4.340 -0.343 0.000 0.212 2221 Q C 1.213 177.218 176.000 0.008 0.000 0.970 2221 Q CA 0.533 56.318 55.803 -0.030 0.000 0.941 2221 Q CB 0.091 28.808 28.738 -0.035 0.000 0.998 2221 Q HN 0.297 nan 8.270 nan 0.000 0.518 2222 E N 0.225 120.428 120.200 0.006 0.000 2.474 2222 E HA 0.064 4.208 4.350 -0.343 0.000 0.195 2222 E C -0.554 176.069 176.600 0.037 0.000 1.039 2222 E CA -0.170 56.243 56.400 0.022 0.000 0.881 2222 E CB 0.343 30.049 29.700 0.010 0.000 0.970 2222 E HN 0.097 nan 8.360 nan 0.000 0.486 2223 L N 1.593 122.841 121.223 0.041 0.000 2.410 2223 L HA 0.154 4.288 4.340 -0.343 0.000 0.273 2223 L C -0.131 176.800 176.870 0.102 0.000 1.144 2223 L CA 0.178 55.053 54.840 0.058 0.000 0.863 2223 L CB 0.472 42.560 42.059 0.048 0.000 1.140 2223 L HN -0.174 nan 8.230 nan 0.000 0.463 2224 K N 5.779 126.232 120.400 0.089 0.000 2.237 2224 K HA 0.312 4.426 4.320 -0.343 0.000 0.270 2224 K C -2.126 174.560 176.600 0.144 0.000 1.015 2224 K CA -1.454 54.895 56.287 0.105 0.000 0.949 2224 K CB 0.085 32.619 32.500 0.056 0.000 0.976 2224 K HN 0.502 nan 8.250 nan 0.000 0.472 2225 P HA -0.083 nan 4.420 nan 0.000 0.268 2225 P C 0.391 177.661 177.300 -0.050 0.000 1.208 2225 P CA -0.284 62.971 63.100 0.259 0.000 0.777 2225 P CB 0.475 32.314 31.700 0.231 0.000 0.875 2226 L N 1.875 122.771 121.223 -0.545 0.000 1.988 2226 L HA -0.040 4.094 4.340 -0.343 0.000 0.207 2226 L C 0.560 177.179 176.870 -0.419 0.000 1.071 2226 L CA 2.276 56.700 54.840 -0.693 0.000 0.744 2226 L CB -0.625 40.658 42.059 -1.292 0.000 0.893 2226 L HN 0.611 nan 8.230 nan 0.000 0.433 2227 D N -4.494 115.667 120.400 -0.398 0.000 2.798 2227 D HA 0.169 4.603 4.640 -0.343 0.000 0.308 2227 D C 0.113 176.478 176.300 0.109 0.000 1.187 2227 D CA -0.543 53.421 54.000 -0.061 0.000 1.033 2227 D CB 0.130 40.915 40.800 -0.024 0.000 1.445 2227 D HN -0.123 nan 8.370 nan 0.000 0.550 2228 Q N -0.556 119.295 119.800 0.085 0.000 2.403 2228 Q HA 0.188 4.322 4.340 -0.343 0.000 0.203 2228 Q C 0.191 176.245 176.000 0.090 0.000 0.932 2228 Q CA 0.132 55.982 55.803 0.078 0.000 0.945 2228 Q CB -0.652 28.108 28.738 0.036 0.000 1.045 2228 Q HN 0.604 nan 8.270 nan 0.000 0.511 2229 C N 0.820 120.209 119.300 0.147 0.000 4.056 2229 C HA -0.168 4.085 4.460 -0.343 0.000 0.302 2229 C C 1.732 176.750 174.990 0.046 0.000 1.356 2229 C CA -0.124 58.964 59.018 0.117 0.000 2.074 2229 C CB -2.933 24.856 27.740 0.083 0.000 1.328 2229 C HN 0.506 nan 8.230 nan 0.000 0.684 2230 L N -0.303 120.943 121.223 0.039 0.000 2.072 2230 L HA -0.108 4.026 4.340 -0.343 0.000 0.205 2230 L C 2.577 179.420 176.870 -0.046 0.000 1.079 2230 L CA 1.803 56.642 54.840 -0.001 0.000 0.752 2230 L CB -0.355 41.710 42.059 0.009 0.000 0.906 2230 L HN 0.557 nan 8.230 nan 0.000 0.436 2231 I N 0.340 120.888 120.570 -0.035 0.000 2.208 2231 I HA -0.215 3.749 4.170 -0.343 0.000 0.245 2231 I C 2.482 178.374 176.117 -0.376 0.000 1.097 2231 I CA 1.533 62.765 61.300 -0.113 0.000 1.363 2231 I CB -0.808 37.196 38.000 0.008 0.000 1.051 2231 I HN 0.296 nan 8.210 nan 0.000 0.413 2232 G N -0.322 108.258 108.800 -0.367 0.000 2.598 2232 G HA2 -0.159 3.595 3.960 -0.343 0.000 0.215 2232 G HA3 -0.159 3.595 3.960 -0.343 0.000 0.215 2232 G C 1.456 176.145 174.900 -0.352 0.000 1.131 2232 G CA 0.116 44.825 45.100 -0.652 0.000 0.785 2232 G HN 0.439 nan 8.290 nan 0.000 0.539 2233 Q N 0.344 120.020 119.800 -0.206 0.000 2.319 2233 Q HA 0.064 4.198 4.340 -0.343 0.000 0.202 2233 Q C 1.039 176.969 176.000 -0.116 0.000 0.896 2233 Q CA 0.074 55.804 55.803 -0.121 0.000 0.942 2233 Q CB 0.420 29.118 28.738 -0.065 0.000 1.083 2233 Q HN 0.502 nan 8.270 nan 0.000 0.510 2234 T N -1.899 112.562 114.554 -0.154 0.000 2.856 2234 T HA 0.097 4.241 4.350 -0.343 0.000 0.306 2234 T C 0.924 175.568 174.700 -0.094 0.000 1.062 2234 T CA -0.350 61.684 62.100 -0.109 0.000 1.083 2234 T CB 1.102 69.904 68.868 -0.111 0.000 0.984 2234 T HN 0.032 nan 8.240 nan 0.000 0.542 2235 K N 0.784 121.148 120.400 -0.060 0.000 2.147 2235 K HA -0.154 3.959 4.320 -0.343 0.000 0.205 2235 K C 2.335 178.910 176.600 -0.043 0.000 1.049 2235 K CA 1.864 58.124 56.287 -0.044 0.000 0.936 2235 K CB -0.124 32.358 32.500 -0.029 0.000 0.722 2235 K HN 0.932 nan 8.250 nan 0.000 0.446 2236 E N 0.491 120.663 120.200 -0.046 0.000 2.285 2236 E HA -0.112 4.032 4.350 -0.343 0.000 0.194 2236 E C 1.143 177.719 176.600 -0.040 0.000 0.997 2236 E CA 1.172 57.553 56.400 -0.032 0.000 0.845 2236 E CB -0.021 29.666 29.700 -0.021 0.000 0.782 2236 E HN 0.343 nan 8.360 nan 0.000 0.491 2237 N N 0.497 119.137 118.700 -0.101 0.000 2.414 2237 N HA 0.012 4.546 4.740 -0.343 0.000 0.177 2237 N C 1.722 177.167 175.510 -0.107 0.000 1.062 2237 N CA 0.329 53.286 53.050 -0.155 0.000 0.890 2237 N CB 0.036 38.219 38.487 -0.506 0.000 1.070 2237 N HN 0.156 nan 8.380 nan 0.000 0.454 2238 R N 1.837 122.277 120.500 -0.101 0.000 2.140 2238 R HA -0.170 3.964 4.340 -0.343 0.000 0.250 2238 R C 1.406 177.699 176.300 -0.012 0.000 1.150 2238 R CA 1.451 57.519 56.100 -0.053 0.000 0.966 2238 R CB -0.566 29.708 30.300 -0.043 0.000 0.869 2238 R HN 0.212 nan 8.270 nan 0.000 0.445 2239 R N 0.833 121.329 120.500 -0.007 0.000 2.285 2239 R HA 0.002 4.136 4.340 -0.343 0.000 0.213 2239 R C 1.375 177.687 176.300 0.019 0.000 1.068 2239 R CA 1.199 57.300 56.100 0.002 0.000 1.004 2239 R CB -0.028 30.272 30.300 -0.000 0.000 0.873 2239 R HN 0.396 nan 8.270 nan 0.000 0.467 2240 K N 0.231 120.671 120.400 0.066 0.000 2.404 2240 K HA 0.098 4.212 4.320 -0.343 0.000 0.194 2240 K C -0.133 176.529 176.600 0.104 0.000 1.023 2240 K CA 0.017 56.368 56.287 0.107 0.000 1.094 2240 K CB 0.327 32.967 32.500 0.234 0.000 0.841 2240 K HN 0.090 nan 8.250 nan 0.000 0.523 2241 N N 1.281 120.024 118.700 0.073 0.000 2.400 2241 N HA 0.102 4.636 4.740 -0.343 0.000 0.288 2241 N C 0.329 175.800 175.510 -0.066 0.000 1.024 2241 N CA -0.149 52.927 53.050 0.044 0.000 0.894 2241 N CB 1.852 40.387 38.487 0.080 0.000 1.173 2241 N HN 0.026 nan 8.380 nan 0.000 0.487 2242 R N 1.890 122.297 120.500 -0.155 0.000 2.092 2242 R HA -0.032 4.102 4.340 -0.343 0.000 0.231 2242 R C -0.382 175.558 176.300 -0.600 0.000 1.119 2242 R CA 1.387 57.236 56.100 -0.417 0.000 0.970 2242 R CB 0.181 30.153 30.300 -0.546 0.000 0.864 2242 R HN 0.500 nan 8.270 nan 0.000 0.440 2243 Y N 0.616 120.926 120.300 0.016 0.000 2.338 2243 Y HA 0.191 4.534 4.550 -0.346 0.000 0.333 2243 Y C 0.509 176.419 175.900 0.017 0.000 0.968 2243 Y CA -1.221 56.889 58.100 0.017 0.000 1.123 2243 Y CB 1.880 40.353 38.460 0.021 0.000 1.165 2243 Y HN -0.031 nan 8.280 nan 0.000 0.452 2244 K N 0.214 120.693 120.400 0.132 0.000 2.218 2244 K HA -0.186 3.928 4.320 -0.343 0.000 0.205 2244 K C 0.054 176.696 176.600 0.070 0.000 1.046 2244 K CA 1.962 58.294 56.287 0.075 0.000 0.933 2244 K CB 0.100 32.630 32.500 0.049 0.000 0.728 2244 K HN 0.489 nan 8.250 nan 0.000 0.454 2245 N N 0.446 119.201 118.700 0.092 0.000 2.236 2245 N HA 0.172 4.706 4.740 -0.343 0.000 0.196 2245 N C -0.248 175.293 175.510 0.051 0.000 1.114 2245 N CA 0.199 53.280 53.050 0.051 0.000 0.859 2245 N CB 0.735 39.242 38.487 0.033 0.000 0.982 2245 N HN 0.215 nan 8.380 nan 0.000 0.493 2246 I N 2.291 122.920 120.570 0.098 0.000 2.388 2246 I HA 0.310 4.274 4.170 -0.343 0.000 0.281 2246 I C -0.654 175.510 176.117 0.079 0.000 1.046 2246 I CA -0.243 61.109 61.300 0.085 0.000 1.187 2246 I CB 0.662 38.733 38.000 0.118 0.000 1.351 2246 I HN -0.289 nan 8.210 nan 0.000 0.472 2247 L N 7.449 128.689 121.223 0.028 0.000 2.333 2247 L HA 0.690 4.823 4.340 -0.343 0.000 0.263 2247 L C -2.490 174.362 176.870 -0.030 0.000 1.014 2247 L CA -1.953 52.912 54.840 0.041 0.000 0.820 2247 L CB 2.304 44.390 42.059 0.045 0.000 1.352 2247 L HN 0.269 nan 8.230 nan 0.000 0.421 2248 P HA 0.214 nan 4.420 nan 0.000 0.281 2248 P C -1.347 175.978 177.300 0.041 0.000 1.249 2248 P CA -0.418 62.670 63.100 -0.019 0.000 0.810 2248 P CB 0.678 32.399 31.700 0.034 0.000 1.008 2249 Y N 0.498 120.861 120.300 0.105 0.000 2.357 2249 Y HA -0.014 4.320 4.550 -0.360 0.000 0.340 2249 Y C 2.034 177.995 175.900 0.102 0.000 1.260 2249 Y CA 0.413 58.569 58.100 0.094 0.000 1.425 2249 Y CB -0.181 38.335 38.460 0.094 0.000 1.326 2249 Y HN 0.372 nan 8.280 nan 0.000 0.580 2250 D N 1.362 121.923 120.400 0.268 0.000 2.117 2250 D HA -0.161 4.273 4.640 -0.343 0.000 0.198 2250 D C 2.008 178.413 176.300 0.175 0.000 0.982 2250 D CA 1.615 55.726 54.000 0.186 0.000 0.828 2250 D CB -0.307 40.569 40.800 0.127 0.000 0.967 2250 D HN 0.663 nan 8.370 nan 0.000 0.464 2251 A N 0.746 123.661 122.820 0.159 0.000 1.908 2251 A HA -0.157 3.957 4.320 -0.343 0.000 0.218 2251 A C 2.141 179.828 177.584 0.172 0.000 1.181 2251 A CA 2.506 54.619 52.037 0.126 0.000 0.627 2251 A CB -0.679 18.360 19.000 0.065 0.000 0.818 2251 A HN 0.374 nan 8.150 nan 0.000 0.445 2252 T N -1.888 112.808 114.554 0.237 0.000 3.176 2252 T HA 0.298 4.442 4.350 -0.343 0.000 0.263 2252 T C 0.527 175.402 174.700 0.291 0.000 1.021 2252 T CA -0.192 62.082 62.100 0.290 0.000 0.905 2252 T CB -0.416 68.633 68.868 0.302 0.000 1.057 2252 T HN 0.688 nan 8.240 nan 0.000 0.558 2253 R N 0.694 121.321 120.500 0.212 0.000 2.694 2253 R HA 0.465 4.599 4.340 -0.343 0.000 0.268 2253 R C -0.883 175.434 176.300 0.030 0.000 1.061 2253 R CA -0.608 55.545 56.100 0.090 0.000 1.133 2253 R CB 0.339 30.710 30.300 0.118 0.000 1.020 2253 R HN 0.041 nan 8.270 nan 0.000 0.475 2254 V N 4.179 123.949 119.914 -0.241 0.000 2.406 2254 V HA 0.296 4.210 4.120 -0.343 0.000 0.272 2254 V C -1.627 174.400 176.094 -0.112 0.000 1.043 2254 V CA -1.707 60.370 62.300 -0.372 0.000 0.915 2254 V CB 0.971 32.390 31.823 -0.674 0.000 0.988 2254 V HN 0.875 nan 8.190 nan 0.000 0.466 2255 P HA 0.442 nan 4.420 nan 0.000 0.282 2255 P C -1.180 176.134 177.300 0.024 0.000 1.259 2255 P CA -0.583 62.547 63.100 0.050 0.000 0.826 2255 P CB 1.612 33.376 31.700 0.105 0.000 1.064 2256 L N 1.300 122.538 121.223 0.025 0.000 2.305 2256 L HA 0.574 4.708 4.340 -0.343 0.000 0.284 2256 L C 0.987 177.886 176.870 0.048 0.000 1.013 2256 L CA -0.246 54.609 54.840 0.024 0.000 0.819 2256 L CB 0.969 43.032 42.059 0.008 0.000 1.227 2256 L HN 0.785 nan 8.230 nan 0.000 0.417 2257 G N 2.724 111.559 108.800 0.058 0.000 2.894 2257 G HA2 -0.263 3.491 3.960 -0.343 0.000 0.247 2257 G HA3 -0.263 3.491 3.960 -0.343 0.000 0.247 2257 G C 0.179 175.114 174.900 0.059 0.000 1.442 2257 G CA -0.087 45.049 45.100 0.061 0.000 0.897 2257 G HN 0.732 nan 8.290 nan 0.000 0.550 2258 D N 0.352 120.783 120.400 0.053 0.000 2.218 2258 D HA -0.006 4.428 4.640 -0.343 0.000 0.204 2258 D C 2.266 178.594 176.300 0.046 0.000 0.976 2258 D CA 1.613 55.642 54.000 0.048 0.000 0.853 2258 D CB -0.058 40.767 40.800 0.041 0.000 0.939 2258 D HN 0.737 nan 8.370 nan 0.000 0.481 2259 E N -0.182 120.045 120.200 0.045 0.000 2.427 2259 E HA 0.124 4.268 4.350 -0.343 0.000 0.196 2259 E C 1.101 177.732 176.600 0.053 0.000 1.028 2259 E CA 0.426 56.852 56.400 0.044 0.000 0.864 2259 E CB 0.075 29.799 29.700 0.040 0.000 0.813 2259 E HN 0.236 nan 8.360 nan 0.000 0.514 2260 G N 1.702 110.537 108.800 0.059 0.000 2.256 2260 G HA2 -0.256 3.498 3.960 -0.343 0.000 0.272 2260 G HA3 -0.256 3.498 3.960 -0.343 0.000 0.272 2260 G C 0.468 175.418 174.900 0.082 0.000 1.076 2260 G CA -0.169 44.974 45.100 0.071 0.000 0.882 2260 G HN 0.455 nan 8.290 nan 0.000 0.497 2261 G N -1.009 107.835 108.800 0.073 0.000 2.690 2261 G HA2 0.439 4.193 3.960 -0.343 0.000 0.239 2261 G HA3 0.439 4.193 3.960 -0.343 0.000 0.239 2261 G C -0.096 174.876 174.900 0.120 0.000 1.233 2261 G CA -0.013 45.141 45.100 0.090 0.000 0.847 2261 G HN 1.002 nan 8.290 nan 0.000 0.588 2262 Y N 0.361 120.667 120.300 0.010 0.000 2.323 2262 Y HA 0.656 4.999 4.550 -0.345 0.000 0.331 2262 Y C -0.166 175.728 175.900 -0.009 0.000 1.092 2262 Y CA -1.106 56.995 58.100 0.002 0.000 1.150 2262 Y CB 1.197 39.660 38.460 0.004 0.000 1.200 2262 Y HN 0.459 nan 8.280 nan 0.000 0.472 2263 I N 5.670 125.701 120.570 -0.898 0.000 2.722 2263 I HA 0.320 4.283 4.170 -0.343 0.000 0.295 2263 I C -1.295 174.223 176.117 -0.998 0.000 1.161 2263 I CA -0.868 59.971 61.300 -0.769 0.000 1.032 2263 I CB 1.889 39.678 38.000 -0.351 0.000 1.244 2263 I HN 0.792 nan 8.210 nan 0.000 0.421 2264 N N 5.739 124.040 118.700 -0.664 0.000 2.671 2264 N HA 0.549 5.083 4.740 -0.343 0.000 0.274 2264 N C -1.013 174.358 175.510 -0.233 0.000 1.188 2264 N CA 0.086 52.928 53.050 -0.346 0.000 1.065 2264 N CB 0.323 38.752 38.487 -0.097 0.000 1.415 2264 N HN 0.639 nan 8.380 nan 0.000 0.511 2265 A N 1.683 124.351 122.820 -0.253 0.000 2.589 2265 A HA 0.641 4.755 4.320 -0.343 0.000 0.296 2265 A C -1.073 176.381 177.584 -0.216 0.000 1.062 2265 A CA -0.730 51.179 52.037 -0.214 0.000 0.686 2265 A CB 1.655 20.496 19.000 -0.266 0.000 1.282 2265 A HN 0.368 nan 8.150 nan 0.000 0.404 2266 S N 0.402 115.997 115.700 -0.175 0.000 2.536 2266 S HA 0.742 5.006 4.470 -0.343 0.000 0.287 2266 S C -0.984 173.549 174.600 -0.111 0.000 1.101 2266 S CA -0.385 57.747 58.200 -0.112 0.000 0.950 2266 S CB 0.862 64.067 63.200 0.008 0.000 1.056 2266 S HN 0.474 nan 8.310 nan 0.000 0.481 2267 F N 1.937 121.927 119.950 0.067 0.000 2.443 2267 F HA 0.478 5.028 4.527 0.037 0.000 0.353 2267 F C 0.418 176.284 175.800 0.109 0.000 1.101 2267 F CA -0.373 57.673 58.000 0.077 0.000 1.226 2267 F CB 0.392 39.429 39.000 0.062 0.000 1.140 2267 F HN 0.298 nan 8.300 nan 0.000 0.557 2268 I N 4.005 124.779 120.570 0.339 0.000 2.468 2268 I HA 0.306 4.270 4.170 -0.343 0.000 0.285 2268 I C -0.872 175.438 176.117 0.322 0.000 1.039 2268 I CA -0.774 60.700 61.300 0.290 0.000 1.074 2268 I CB 1.757 39.904 38.000 0.245 0.000 1.228 2268 I HN 0.500 nan 8.210 nan 0.000 0.436 2269 K N 7.106 127.645 120.400 0.231 0.000 2.324 2269 K HA 0.712 4.826 4.320 -0.343 0.000 0.253 2269 K C -1.237 175.459 176.600 0.160 0.000 0.932 2269 K CA -0.861 55.532 56.287 0.175 0.000 0.799 2269 K CB 2.952 35.508 32.500 0.095 0.000 1.154 2269 K HN 0.349 nan 8.250 nan 0.000 0.425 2270 I N 3.217 123.883 120.570 0.160 0.000 2.534 2270 I HA 0.299 4.263 4.170 -0.343 0.000 0.288 2270 I C -2.642 173.487 176.117 0.020 0.000 1.077 2270 I CA -2.849 58.514 61.300 0.105 0.000 1.051 2270 I CB 1.583 39.670 38.000 0.146 0.000 1.234 2270 I HN 0.262 nan 8.210 nan 0.000 0.425 2271 P HA 0.215 nan 4.420 nan 0.000 0.276 2271 P C -0.391 176.830 177.300 -0.133 0.000 1.230 2271 P CA -0.150 62.918 63.100 -0.052 0.000 0.776 2271 P CB 0.875 32.559 31.700 -0.027 0.000 0.888 2272 V N 3.629 123.411 119.914 -0.220 0.000 2.383 2272 V HA 0.457 4.371 4.120 -0.343 0.000 0.264 2272 V C 0.987 176.959 176.094 -0.204 0.000 1.001 2272 V CA 0.378 62.472 62.300 -0.343 0.000 0.828 2272 V CB 0.117 31.410 31.823 -0.884 0.000 1.069 2272 V HN 0.977 nan 8.190 nan 0.000 0.451 2273 G N 4.580 113.315 108.800 -0.109 0.000 2.565 2273 G HA2 -0.353 3.401 3.960 -0.343 0.000 0.295 2273 G HA3 -0.353 3.401 3.960 -0.343 0.000 0.295 2273 G C 0.912 175.785 174.900 -0.044 0.000 1.165 2273 G CA 0.780 45.845 45.100 -0.058 0.000 0.977 2273 G HN 0.871 nan 8.290 nan 0.000 0.546 2274 K N 1.109 121.492 120.400 -0.029 0.000 2.444 2274 K HA 0.311 4.425 4.320 -0.343 0.000 0.193 2274 K C 0.395 176.992 176.600 -0.005 0.000 1.024 2274 K CA 0.943 57.223 56.287 -0.013 0.000 1.077 2274 K CB 0.271 32.771 32.500 -0.001 0.000 0.833 2274 K HN 0.468 nan 8.250 nan 0.000 0.517 2275 E N 1.451 121.640 120.200 -0.019 0.000 2.281 2275 E HA 0.248 4.392 4.350 -0.343 0.000 0.257 2275 E C -1.191 175.403 176.600 -0.011 0.000 0.971 2275 E CA -0.626 55.788 56.400 0.023 0.000 0.839 2275 E CB 1.657 31.415 29.700 0.098 0.000 1.238 2275 E HN 0.248 nan 8.360 nan 0.000 0.412 2276 E N 0.949 121.196 120.200 0.078 0.000 2.263 2276 E HA 0.302 4.446 4.350 -0.343 0.000 0.268 2276 E C -1.373 175.377 176.600 0.249 0.000 0.884 2276 E CA -0.474 55.967 56.400 0.069 0.000 0.766 2276 E CB 0.859 30.582 29.700 0.039 0.000 1.196 2276 E HN 0.104 nan 8.360 nan 0.000 0.416 2277 F N 3.379 123.274 119.950 -0.092 0.000 2.411 2277 F HA 0.341 4.657 4.527 -0.352 0.000 0.355 2277 F C -0.015 175.561 175.800 -0.373 0.000 1.117 2277 F CA -0.986 56.859 58.000 -0.258 0.000 1.139 2277 F CB 1.450 40.363 39.000 -0.144 0.000 1.120 2277 F HN 0.155 nan 8.300 nan 0.000 0.493 2278 V N 5.654 125.341 119.914 -0.378 0.000 2.448 2278 V HA 0.470 4.384 4.120 -0.343 0.000 0.295 2278 V C -0.837 174.958 176.094 -0.498 0.000 1.025 2278 V CA -0.927 61.206 62.300 -0.279 0.000 0.859 2278 V CB 1.308 33.080 31.823 -0.085 0.000 0.988 2278 V HN 0.534 nan 8.190 nan 0.000 0.431 2279 Y N 3.658 124.006 120.300 0.080 0.000 2.602 2279 Y HA 0.711 5.050 4.550 -0.352 0.000 0.342 2279 Y C -0.158 175.791 175.900 0.083 0.000 1.029 2279 Y CA -1.178 56.952 58.100 0.049 0.000 1.080 2279 Y CB 2.023 40.502 38.460 0.031 0.000 1.284 2279 Y HN 0.388 nan 8.280 nan 0.000 0.485 2280 I N 2.000 122.687 120.570 0.194 0.000 2.411 2280 I HA 0.560 4.524 4.170 -0.343 0.000 0.284 2280 I C -0.745 175.400 176.117 0.047 0.000 1.012 2280 I CA -0.758 60.560 61.300 0.030 0.000 1.119 2280 I CB 1.246 39.180 38.000 -0.110 0.000 1.261 2280 I HN 0.735 nan 8.210 nan 0.000 0.448 2281 A N 6.449 129.285 122.820 0.028 0.000 2.274 2281 A HA 0.731 4.845 4.320 -0.343 0.000 0.309 2281 A C -0.244 177.331 177.584 -0.014 0.000 1.226 2281 A CA -0.383 51.664 52.037 0.016 0.000 0.853 2281 A CB 0.441 19.439 19.000 -0.004 0.000 1.146 2281 A HN 0.897 nan 8.150 nan 0.000 0.518 2282 C N 1.575 120.887 119.300 0.019 0.000 3.236 2282 C HA 0.831 5.085 4.460 -0.343 0.000 0.312 2282 C C -0.332 174.665 174.990 0.012 0.000 1.374 2282 C CA -0.878 58.132 59.018 -0.014 0.000 1.455 2282 C CB 0.920 28.636 27.740 -0.041 0.000 1.834 2282 C HN 1.055 nan 8.230 nan 0.000 0.460 2283 Q N 1.612 121.392 119.800 -0.032 0.000 2.382 2283 Q HA 0.524 4.658 4.340 -0.343 0.000 0.229 2283 Q C 0.349 176.266 176.000 -0.138 0.000 1.006 2283 Q CA 0.114 55.907 55.803 -0.017 0.000 0.916 2283 Q CB 0.547 29.275 28.738 -0.016 0.000 1.235 2283 Q HN 1.153 nan 8.270 nan 0.000 0.512 2284 G N 1.874 110.622 108.800 -0.087 0.000 2.365 2284 G HA2 0.312 4.066 3.960 -0.343 0.000 0.249 2284 G HA3 0.312 4.066 3.960 -0.343 0.000 0.249 2284 G C -2.395 172.306 174.900 -0.331 0.000 1.288 2284 G CA -1.056 43.889 45.100 -0.258 0.000 0.887 2284 G HN 0.478 nan 8.290 nan 0.000 0.524 2285 P HA 0.075 nan 4.420 nan 0.000 0.266 2285 P C 0.023 177.193 177.300 -0.217 0.000 1.195 2285 P CA 0.094 62.930 63.100 -0.439 0.000 0.768 2285 P CB 0.666 31.900 31.700 -0.776 0.000 0.838 2286 L N 5.400 126.534 121.223 -0.149 0.000 2.387 2286 L HA 0.334 4.467 4.340 -0.343 0.000 0.266 2286 L C -1.273 175.561 176.870 -0.060 0.000 1.059 2286 L CA -2.107 52.675 54.840 -0.097 0.000 0.801 2286 L CB 0.836 42.844 42.059 -0.084 0.000 1.223 2286 L HN 0.254 nan 8.230 nan 0.000 0.456 2287 P HA -0.165 nan 4.420 nan 0.000 0.217 2287 P C 1.173 178.469 177.300 -0.006 0.000 1.148 2287 P CA 1.369 64.455 63.100 -0.023 0.000 0.828 2287 P CB 0.054 31.736 31.700 -0.029 0.000 0.783 2288 T N -5.897 108.649 114.554 -0.012 0.000 3.129 2288 T HA 0.031 4.175 4.350 -0.343 0.000 0.251 2288 T C 1.131 175.838 174.700 0.011 0.000 1.117 2288 T CA 1.089 63.190 62.100 0.002 0.000 1.034 2288 T CB -1.004 67.864 68.868 -0.001 0.000 0.968 2288 T HN 0.164 nan 8.240 nan 0.000 0.526 2289 T N -1.803 112.749 114.554 -0.002 0.000 3.145 2289 T HA 0.348 4.491 4.350 -0.343 0.000 0.281 2289 T C 1.546 176.261 174.700 0.024 0.000 1.003 2289 T CA -0.201 61.899 62.100 0.001 0.000 0.901 2289 T CB -0.166 68.680 68.868 -0.036 0.000 1.112 2289 T HN 0.103 nan 8.240 nan 0.000 0.535 2290 V N 2.028 121.977 119.914 0.058 0.000 2.287 2290 V HA -0.056 3.858 4.120 -0.343 0.000 0.248 2290 V C 2.946 179.213 176.094 0.289 0.000 1.053 2290 V CA 2.486 64.881 62.300 0.158 0.000 1.027 2290 V CB -1.236 30.714 31.823 0.212 0.000 0.646 2290 V HN 0.684 nan 8.190 nan 0.000 0.447 2291 G N -0.509 108.423 108.800 0.220 0.000 2.418 2291 G HA2 -0.258 3.496 3.960 -0.343 0.000 0.217 2291 G HA3 -0.258 3.496 3.960 -0.343 0.000 0.217 2291 G C 1.241 176.249 174.900 0.181 0.000 1.158 2291 G CA 1.037 46.270 45.100 0.223 0.000 0.771 2291 G HN 0.504 nan 8.290 nan 0.000 0.545 2292 D N 0.045 120.508 120.400 0.105 0.000 2.123 2292 D HA -0.128 4.306 4.640 -0.343 0.000 0.196 2292 D C 1.958 178.263 176.300 0.009 0.000 0.992 2292 D CA 0.638 54.665 54.000 0.045 0.000 0.833 2292 D CB -0.433 40.371 40.800 0.007 0.000 0.954 2292 D HN 0.296 nan 8.370 nan 0.000 0.455 2293 F N -0.105 119.743 119.950 -0.170 0.000 2.069 2293 F HA -0.181 4.142 4.527 -0.339 0.000 0.298 2293 F C 2.043 177.652 175.800 -0.318 0.000 1.113 2293 F CA 1.550 59.335 58.000 -0.357 0.000 1.214 2293 F CB -0.566 38.062 39.000 -0.620 0.000 0.978 2293 F HN -0.016 nan 8.300 nan 0.000 0.474 2294 W N 0.667 122.003 121.300 0.060 0.000 2.402 2294 W HA -0.134 4.322 4.660 -0.339 0.000 0.286 2294 W C 2.701 179.226 176.519 0.010 0.000 1.221 2294 W CA 1.231 58.594 57.345 0.030 0.000 1.257 2294 W CB -0.655 28.907 29.460 0.171 0.000 1.120 2294 W HN 0.151 nan 8.180 nan 0.000 0.551 2295 Q N 0.683 120.596 119.800 0.189 0.000 2.050 2295 Q HA -0.284 3.850 4.340 -0.343 0.000 0.202 2295 Q C 2.273 178.332 176.000 0.098 0.000 0.980 2295 Q CA 2.114 58.004 55.803 0.145 0.000 0.840 2295 Q CB -0.448 28.340 28.738 0.083 0.000 0.898 2295 Q HN 0.362 nan 8.270 nan 0.000 0.424 2296 M N -0.154 119.411 119.600 -0.059 0.000 2.080 2296 M HA -0.203 4.071 4.480 -0.343 0.000 0.260 2296 M C 1.659 177.878 176.300 -0.135 0.000 1.068 2296 M CA 1.447 56.665 55.300 -0.137 0.000 1.109 2296 M CB -0.065 32.361 32.600 -0.291 0.000 1.342 2296 M HN 0.302 nan 8.290 nan 0.000 0.405 2297 I N 0.024 120.454 120.570 -0.232 0.000 2.208 2297 I HA -0.317 3.647 4.170 -0.343 0.000 0.245 2297 I C 2.240 178.397 176.117 0.068 0.000 1.097 2297 I CA 1.511 62.728 61.300 -0.138 0.000 1.363 2297 I CB -0.996 36.908 38.000 -0.159 0.000 1.051 2297 I HN 0.619 nan 8.210 nan 0.000 0.413 2298 W N 1.684 123.004 121.300 0.034 0.000 2.379 2298 W HA -0.168 4.286 4.660 -0.344 0.000 0.307 2298 W C 2.229 178.765 176.519 0.028 0.000 1.200 2298 W CA 1.598 58.976 57.345 0.055 0.000 1.297 2298 W CB -0.231 29.271 29.460 0.071 0.000 1.140 2298 W HN 0.221 nan 8.180 nan 0.000 0.507 2299 E N -0.241 120.089 120.200 0.216 0.000 2.106 2299 E HA -0.233 3.911 4.350 -0.343 0.000 0.192 2299 E C 1.916 178.532 176.600 0.027 0.000 0.984 2299 E CA 0.964 57.442 56.400 0.131 0.000 0.806 2299 E CB -0.225 29.563 29.700 0.148 0.000 0.750 2299 E HN 0.192 nan 8.360 nan 0.000 0.458 2300 Q N 0.300 120.108 119.800 0.013 0.000 2.403 2300 Q HA 0.046 4.180 4.340 -0.343 0.000 0.203 2300 Q C -0.140 175.843 176.000 -0.029 0.000 0.932 2300 Q CA 0.211 56.031 55.803 0.030 0.000 0.945 2300 Q CB 0.309 29.082 28.738 0.059 0.000 1.045 2300 Q HN 0.209 nan 8.270 nan 0.000 0.511 2301 K N 0.448 120.779 120.400 -0.115 0.000 3.096 2301 K HA -0.138 3.975 4.320 -0.343 0.000 0.266 2301 K C -0.149 176.393 176.600 -0.097 0.000 1.043 2301 K CA 0.561 56.744 56.287 -0.174 0.000 0.758 2301 K CB -1.925 30.477 32.500 -0.164 0.000 1.260 2301 K HN 0.078 nan 8.250 nan 0.000 0.481 2302 S N 0.331 115.997 115.700 -0.056 0.000 2.562 2302 S HA 0.363 4.627 4.470 -0.343 0.000 0.275 2302 S C 1.094 175.706 174.600 0.021 0.000 1.281 2302 S CA 0.231 58.428 58.200 -0.006 0.000 1.045 2302 S CB 1.047 64.244 63.200 -0.005 0.000 0.962 2302 S HN 0.351 nan 8.310 nan 0.000 0.503 2303 T N 0.654 115.233 114.554 0.042 0.000 3.111 2303 T HA 0.369 4.513 4.350 -0.343 0.000 0.284 2303 T C -0.351 174.411 174.700 0.104 0.000 0.983 2303 T CA -0.262 61.880 62.100 0.070 0.000 0.900 2303 T CB -0.041 68.838 68.868 0.020 0.000 1.132 2303 T HN 0.330 nan 8.240 nan 0.000 0.531 2304 V N 1.997 121.975 119.914 0.107 0.000 2.623 2304 V HA 0.567 4.481 4.120 -0.343 0.000 0.304 2304 V C -0.882 175.278 176.094 0.110 0.000 1.054 2304 V CA -1.020 61.338 62.300 0.097 0.000 0.882 2304 V CB 1.937 33.796 31.823 0.061 0.000 1.002 2304 V HN 0.407 nan 8.190 nan 0.000 0.424 2305 I N 3.609 124.261 120.570 0.137 0.000 2.436 2305 I HA 0.750 4.714 4.170 -0.343 0.000 0.289 2305 I C 0.175 176.315 176.117 0.038 0.000 1.010 2305 I CA -0.708 60.686 61.300 0.156 0.000 1.098 2305 I CB 2.076 40.276 38.000 0.333 0.000 1.266 2305 I HN 0.682 nan 8.210 nan 0.000 0.434 2306 A N 7.711 130.570 122.820 0.065 0.000 2.316 2306 A HA 0.575 4.689 4.320 -0.343 0.000 0.324 2306 A C -0.414 177.142 177.584 -0.047 0.000 1.375 2306 A CA -0.487 51.620 52.037 0.117 0.000 0.882 2306 A CB 0.635 19.757 19.000 0.204 0.000 1.152 2306 A HN 0.820 nan 8.150 nan 0.000 0.512 2307 M N 4.398 123.899 119.600 -0.165 0.000 2.069 2307 M HA 0.344 4.618 4.480 -0.343 0.000 0.349 2307 M C -0.533 175.644 176.300 -0.204 0.000 1.194 2307 M CA -0.430 54.612 55.300 -0.429 0.000 1.081 2307 M CB 0.397 32.836 32.600 -0.268 0.000 1.500 2307 M HN 0.561 nan 8.290 nan 0.000 0.438 2308 M N 3.795 123.234 119.600 -0.268 0.000 2.853 2308 M HA 0.241 4.515 4.480 -0.343 0.000 0.274 2308 M C -0.038 176.153 176.300 -0.180 0.000 1.289 2308 M CA 0.114 55.286 55.300 -0.212 0.000 1.031 2308 M CB -1.226 31.135 32.600 -0.398 0.000 1.352 2308 M HN 0.663 nan 8.290 nan 0.000 0.485 2309 T N -0.310 114.193 114.554 -0.084 0.000 2.821 2309 T HA 0.451 4.595 4.350 -0.343 0.000 0.306 2309 T C -1.131 173.597 174.700 0.047 0.000 1.313 2309 T CA -0.452 61.629 62.100 -0.032 0.000 1.012 2309 T CB 2.186 71.037 68.868 -0.027 0.000 1.298 2309 T HN 0.361 nan 8.240 nan 0.000 0.502 2310 Q N 0.922 120.753 119.800 0.050 0.000 2.212 2310 Q HA 0.374 4.508 4.340 -0.343 0.000 0.238 2310 Q C 0.872 176.928 176.000 0.093 0.000 0.955 2310 Q CA -0.614 55.236 55.803 0.078 0.000 0.906 2310 Q CB 1.325 30.092 28.738 0.047 0.000 1.215 2310 Q HN 0.721 nan 8.270 nan 0.000 0.478 2311 E N -0.223 120.041 120.200 0.108 0.000 2.077 2311 E HA -0.104 4.040 4.350 -0.343 0.000 0.193 2311 E C -0.107 176.520 176.600 0.045 0.000 0.989 2311 E CA 0.822 57.269 56.400 0.079 0.000 0.800 2311 E CB 0.323 30.045 29.700 0.037 0.000 0.746 2311 E HN 0.189 nan 8.360 nan 0.000 0.452 2312 V N 0.970 120.906 119.914 0.036 0.000 2.709 2312 V HA 0.276 4.190 4.120 -0.343 0.000 0.308 2312 V C -0.896 175.213 176.094 0.026 0.000 1.062 2312 V CA -0.760 61.556 62.300 0.026 0.000 0.901 2312 V CB 2.026 33.858 31.823 0.015 0.000 1.003 2312 V HN 0.016 nan 8.190 nan 0.000 0.425 2313 E N 2.410 122.625 120.200 0.025 0.000 2.244 2313 E HA 0.588 4.732 4.350 -0.343 0.000 0.260 2313 E C 0.538 177.153 176.600 0.025 0.000 0.884 2313 E CA 0.137 56.551 56.400 0.023 0.000 0.777 2313 E CB 2.021 31.732 29.700 0.018 0.000 1.197 2313 E HN 1.063 nan 8.360 nan 0.000 0.416 2314 G N 3.851 112.664 108.800 0.021 0.000 2.561 2314 G HA2 -0.419 3.335 3.960 -0.343 0.000 0.289 2314 G HA3 -0.419 3.335 3.960 -0.343 0.000 0.289 2314 G C 0.611 175.523 174.900 0.020 0.000 1.169 2314 G CA 0.654 45.767 45.100 0.021 0.000 0.980 2314 G HN 0.728 nan 8.290 nan 0.000 0.550 2315 E N 0.512 120.726 120.200 0.024 0.000 2.444 2315 E HA 0.366 4.510 4.350 -0.343 0.000 0.191 2315 E C 0.484 177.100 176.600 0.027 0.000 1.041 2315 E CA 0.075 56.488 56.400 0.021 0.000 0.883 2315 E CB 0.157 29.869 29.700 0.020 0.000 1.024 2315 E HN 0.472 nan 8.360 nan 0.000 0.470 2316 K N 1.249 121.670 120.400 0.035 0.000 2.182 2316 K HA 0.335 4.449 4.320 -0.343 0.000 0.262 2316 K C -0.502 176.123 176.600 0.040 0.000 0.957 2316 K CA -0.925 55.389 56.287 0.045 0.000 0.842 2316 K CB 1.838 34.378 32.500 0.067 0.000 1.099 2316 K HN 0.039 nan 8.250 nan 0.000 0.438 2317 I N 3.776 124.368 120.570 0.037 0.000 2.471 2317 I HA 0.027 3.991 4.170 -0.343 0.000 0.286 2317 I C 1.032 177.176 176.117 0.045 0.000 1.079 2317 I CA 0.234 61.549 61.300 0.025 0.000 1.398 2317 I CB 0.911 38.912 38.000 0.003 0.000 1.403 2317 I HN 0.592 nan 8.210 nan 0.000 0.530 2318 K N 3.725 124.153 120.400 0.046 0.000 2.367 2318 K HA 0.189 4.303 4.320 -0.343 0.000 0.198 2318 K C -0.037 176.603 176.600 0.067 0.000 1.132 2318 K CA 0.510 56.838 56.287 0.068 0.000 0.941 2318 K CB 0.504 33.036 32.500 0.053 0.000 1.052 2318 K HN 0.642 nan 8.250 nan 0.000 0.507 2319 C N 2.462 121.799 119.300 0.061 0.000 3.046 2319 C HA 0.284 4.538 4.460 -0.343 0.000 0.388 2319 C C -1.429 173.585 174.990 0.040 0.000 1.041 2319 C CA -0.897 58.165 59.018 0.072 0.000 1.241 2319 C CB 0.926 28.785 27.740 0.197 0.000 1.638 2319 C HN 0.552 nan 8.230 nan 0.000 0.539 2320 Q N 4.608 124.408 119.800 -0.000 0.000 2.314 2320 Q HA 0.380 4.514 4.340 -0.343 0.000 0.258 2320 Q C 0.214 176.151 176.000 -0.106 0.000 0.954 2320 Q CA 0.258 56.029 55.803 -0.053 0.000 0.890 2320 Q CB 0.678 29.383 28.738 -0.056 0.000 1.210 2320 Q HN 0.755 nan 8.270 nan 0.000 0.410 2321 R N 3.181 123.485 120.500 -0.327 0.000 2.484 2321 R HA -0.036 4.098 4.340 -0.343 0.000 0.293 2321 R C -0.675 175.268 176.300 -0.596 0.000 1.023 2321 R CA 0.124 55.708 56.100 -0.861 0.000 1.037 2321 R CB 0.150 29.830 30.300 -1.034 0.000 0.951 2321 R HN 0.930 nan 8.270 nan 0.000 0.418 2322 Y N 2.492 122.516 120.300 -0.460 0.000 2.681 2322 Y HA 0.345 4.691 4.550 -0.339 0.000 0.267 2322 Y C -1.193 174.920 175.900 0.354 0.000 1.166 2322 Y CA -1.436 56.669 58.100 0.007 0.000 1.209 2322 Y CB -0.274 38.209 38.460 0.038 0.000 1.161 2322 Y HN 0.529 nan 8.280 nan 0.000 0.534 2323 W N -0.622 120.691 121.300 0.023 0.000 2.962 2323 W HA 0.857 5.309 4.660 -0.346 0.000 0.341 2323 W C -3.259 173.242 176.519 -0.031 0.000 1.155 2323 W CA -3.302 54.057 57.345 0.024 0.000 1.165 2323 W CB 0.268 29.673 29.460 -0.091 0.000 1.435 2323 W HN -0.300 nan 8.180 nan 0.000 0.546 2324 P HA 0.134 nan 4.420 nan 0.000 0.271 2324 P C 0.183 177.567 177.300 0.141 0.000 1.216 2324 P CA -0.090 63.045 63.100 0.059 0.000 0.776 2324 P CB 0.709 32.446 31.700 0.061 0.000 0.881 2325 N N 1.720 120.438 118.700 0.031 0.000 2.336 2325 N HA 0.065 4.599 4.740 -0.343 0.000 0.189 2325 N C -0.167 175.397 175.510 0.090 0.000 1.113 2325 N CA -0.151 52.952 53.050 0.090 0.000 0.858 2325 N CB 0.152 38.638 38.487 -0.002 0.000 0.970 2325 N HN 0.165 nan 8.380 nan 0.000 0.471 2326 I N 2.273 122.882 120.570 0.066 0.000 2.330 2326 I HA 0.255 4.219 4.170 -0.343 0.000 0.289 2326 I C 0.357 176.509 176.117 0.058 0.000 1.001 2326 I CA -1.077 60.254 61.300 0.051 0.000 1.193 2326 I CB 1.533 39.549 38.000 0.027 0.000 1.345 2326 I HN 0.181 nan 8.210 nan 0.000 0.461 2327 L N 5.968 127.227 121.223 0.060 0.000 2.615 2327 L HA 0.021 4.155 4.340 -0.343 0.000 0.284 2327 L C 1.494 178.388 176.870 0.039 0.000 1.237 2327 L CA 0.971 55.844 54.840 0.055 0.000 0.905 2327 L CB 0.076 42.168 42.059 0.055 0.000 1.149 2327 L HN 0.995 nan 8.230 nan 0.000 0.499 2328 G N 2.551 111.372 108.800 0.035 0.000 2.245 2328 G HA2 -0.322 3.432 3.960 -0.343 0.000 0.264 2328 G HA3 -0.322 3.432 3.960 -0.343 0.000 0.264 2328 G C 0.321 175.229 174.900 0.013 0.000 0.985 2328 G CA 0.383 45.497 45.100 0.023 0.000 0.625 2328 G HN 0.544 nan 8.290 nan 0.000 0.536 2329 K N 2.458 122.867 120.400 0.015 0.000 2.285 2329 K HA 0.554 4.668 4.320 -0.343 0.000 0.286 2329 K C 0.982 177.579 176.600 -0.006 0.000 1.072 2329 K CA 0.351 56.641 56.287 0.004 0.000 0.913 2329 K CB 0.405 32.909 32.500 0.006 0.000 1.067 2329 K HN 0.409 nan 8.250 nan 0.000 0.479 2330 T N 0.367 114.911 114.554 -0.017 0.000 2.904 2330 T HA 0.458 4.602 4.350 -0.343 0.000 0.290 2330 T C 0.023 174.701 174.700 -0.037 0.000 1.018 2330 T CA -0.670 61.410 62.100 -0.034 0.000 1.075 2330 T CB 1.376 70.219 68.868 -0.040 0.000 0.986 2330 T HN 0.450 nan 8.240 nan 0.000 0.523 2331 T N 2.072 116.594 114.554 -0.054 0.000 2.923 2331 T HA 0.472 4.615 4.350 -0.343 0.000 0.311 2331 T C -0.986 173.674 174.700 -0.066 0.000 1.183 2331 T CA -0.960 61.111 62.100 -0.048 0.000 1.020 2331 T CB 0.984 69.831 68.868 -0.036 0.000 1.165 2331 T HN 0.600 nan 8.240 nan 0.000 0.482 2332 M N 5.221 124.791 119.600 -0.050 0.000 2.108 2332 M HA 0.218 4.492 4.480 -0.343 0.000 0.347 2332 M C 1.562 177.843 176.300 -0.031 0.000 1.326 2332 M CA -0.372 54.895 55.300 -0.054 0.000 1.126 2332 M CB 0.384 32.958 32.600 -0.043 0.000 1.606 2332 M HN 0.590 nan 8.290 nan 0.000 0.462 2333 V N 0.808 120.700 119.914 -0.036 0.000 3.406 2333 V HA 0.162 4.076 4.120 -0.343 0.000 0.263 2333 V C 0.737 176.873 176.094 0.071 0.000 1.172 2333 V CA 0.634 62.959 62.300 0.042 0.000 1.140 2333 V CB -0.782 31.085 31.823 0.074 0.000 0.784 2333 V HN 0.828 nan 8.190 nan 0.000 0.467 2334 S N -1.177 114.535 115.700 0.020 0.000 2.643 2334 S HA 0.373 4.637 4.470 -0.343 0.000 0.270 2334 S C 0.347 174.932 174.600 -0.024 0.000 1.166 2334 S CA 0.079 58.288 58.200 0.015 0.000 0.815 2334 S CB 1.211 64.427 63.200 0.027 0.000 1.139 2334 S HN 0.127 nan 8.310 nan 0.000 0.472 2335 N N 0.505 119.190 118.700 -0.025 0.000 2.205 2335 N HA -0.057 4.477 4.740 -0.343 0.000 0.186 2335 N C 1.484 176.953 175.510 -0.069 0.000 1.015 2335 N CA 1.563 54.590 53.050 -0.039 0.000 0.862 2335 N CB -0.079 38.390 38.487 -0.029 0.000 0.986 2335 N HN 0.495 nan 8.380 nan 0.000 0.429 2336 R N -0.842 119.599 120.500 -0.098 0.000 2.250 2336 R HA 0.256 4.390 4.340 -0.343 0.000 0.194 2336 R C -0.077 176.087 176.300 -0.227 0.000 0.927 2336 R CA 0.026 56.030 56.100 -0.161 0.000 1.052 2336 R CB 0.266 30.448 30.300 -0.197 0.000 1.055 2336 R HN 0.218 nan 8.270 nan 0.000 0.537 2337 L N 2.127 123.231 121.223 -0.198 0.000 2.275 2337 L HA 0.416 4.550 4.340 -0.343 0.000 0.288 2337 L C 0.341 177.112 176.870 -0.166 0.000 1.046 2337 L CA -0.458 54.248 54.840 -0.224 0.000 0.805 2337 L CB 1.383 43.348 42.059 -0.158 0.000 1.193 2337 L HN -0.173 nan 8.230 nan 0.000 0.426 2338 R N 3.658 124.050 120.500 -0.179 0.000 2.338 2338 R HA 0.612 4.746 4.340 -0.343 0.000 0.317 2338 R C -1.548 174.644 176.300 -0.179 0.000 0.968 2338 R CA -0.767 55.244 56.100 -0.148 0.000 0.849 2338 R CB 1.534 31.765 30.300 -0.115 0.000 1.128 2338 R HN 0.473 nan 8.270 nan 0.000 0.448 2339 L N 3.594 124.693 121.223 -0.207 0.000 2.346 2339 L HA 0.775 4.909 4.340 -0.343 0.000 0.276 2339 L C -1.494 175.283 176.870 -0.156 0.000 1.006 2339 L CA -0.239 54.437 54.840 -0.273 0.000 0.817 2339 L CB 1.955 43.719 42.059 -0.492 0.000 1.272 2339 L HN 0.814 nan 8.230 nan 0.000 0.421 2340 A N 4.296 127.043 122.820 -0.121 0.000 2.475 2340 A HA 0.702 4.816 4.320 -0.343 0.000 0.301 2340 A C -1.887 175.688 177.584 -0.015 0.000 1.059 2340 A CA -0.566 51.442 52.037 -0.049 0.000 0.710 2340 A CB 1.457 20.436 19.000 -0.035 0.000 1.288 2340 A HN 0.737 nan 8.150 nan 0.000 0.408 2341 L N 3.393 124.633 121.223 0.028 0.000 2.257 2341 L HA 0.565 4.699 4.340 -0.343 0.000 0.290 2341 L C 0.674 177.571 176.870 0.044 0.000 1.044 2341 L CA 0.135 55.003 54.840 0.046 0.000 0.810 2341 L CB 1.387 43.505 42.059 0.099 0.000 1.193 2341 L HN 0.801 nan 8.230 nan 0.000 0.425 2342 V N 2.072 122.014 119.914 0.047 0.000 3.431 2342 V HA 0.480 4.394 4.120 -0.343 0.000 0.253 2342 V C 0.680 176.809 176.094 0.059 0.000 1.184 2342 V CA 0.072 62.404 62.300 0.053 0.000 1.104 2342 V CB -0.469 31.393 31.823 0.066 0.000 0.799 2342 V HN 0.810 nan 8.190 nan 0.000 0.462 2343 R N 0.190 120.730 120.500 0.067 0.000 2.594 2343 R HA 0.615 4.749 4.340 -0.343 0.000 0.265 2343 R C -1.726 174.628 176.300 0.090 0.000 1.070 2343 R CA -0.495 55.656 56.100 0.085 0.000 0.909 2343 R CB 1.937 32.286 30.300 0.081 0.000 1.243 2343 R HN 0.202 nan 8.270 nan 0.000 0.455 2344 M N 3.746 123.416 119.600 0.117 0.000 2.267 2344 M HA 0.404 4.678 4.480 -0.343 0.000 0.289 2344 M C -1.903 174.473 176.300 0.126 0.000 1.043 2344 M CA -0.289 55.067 55.300 0.094 0.000 0.928 2344 M CB 2.202 34.843 32.600 0.069 0.000 1.613 2344 M HN 0.817 nan 8.290 nan 0.000 0.450 2345 Q N 2.547 122.401 119.800 0.092 0.000 2.356 2345 Q HA 0.465 4.599 4.340 -0.343 0.000 0.270 2345 Q C -1.382 174.578 176.000 -0.068 0.000 1.058 2345 Q CA -0.805 55.020 55.803 0.036 0.000 0.802 2345 Q CB 2.993 31.794 28.738 0.106 0.000 1.303 2345 Q HN 0.586 nan 8.270 nan 0.000 0.444 2346 Q N 2.693 122.407 119.800 -0.144 0.000 2.340 2346 Q HA 0.399 4.532 4.340 -0.343 0.000 0.259 2346 Q C -1.470 174.369 176.000 -0.269 0.000 0.964 2346 Q CA -0.156 55.541 55.803 -0.176 0.000 0.900 2346 Q CB 0.712 29.366 28.738 -0.140 0.000 1.228 2346 Q HN 0.480 nan 8.270 nan 0.000 0.449 2347 L N 2.157 123.139 121.223 -0.402 0.000 2.341 2347 L HA 0.556 4.690 4.340 -0.343 0.000 0.267 2347 L C -0.112 176.512 176.870 -0.411 0.000 1.022 2347 L CA -0.847 53.674 54.840 -0.531 0.000 0.844 2347 L CB 1.041 42.442 42.059 -1.098 0.000 1.436 2347 L HN 0.653 nan 8.230 nan 0.000 0.483 2348 K N -0.058 120.153 120.400 -0.315 0.000 2.338 2348 K HA 0.355 4.469 4.320 -0.343 0.000 0.290 2348 K C 0.737 177.296 176.600 -0.069 0.000 1.069 2348 K CA 0.851 57.052 56.287 -0.144 0.000 0.941 2348 K CB 0.073 32.543 32.500 -0.050 0.000 1.023 2348 K HN 0.785 nan 8.250 nan 0.000 0.477 2349 G N 3.758 112.487 108.800 -0.117 0.000 2.234 2349 G HA2 -0.290 3.464 3.960 -0.343 0.000 0.260 2349 G HA3 -0.290 3.464 3.960 -0.343 0.000 0.260 2349 G C -0.273 174.466 174.900 -0.268 0.000 0.987 2349 G CA 0.637 45.607 45.100 -0.218 0.000 0.625 2349 G HN 0.712 nan 8.290 nan 0.000 0.532 2350 F N -1.913 117.922 119.950 -0.191 0.000 2.713 2350 F HA 0.791 5.113 4.527 -0.342 0.000 0.311 2350 F C -0.813 175.006 175.800 0.032 0.000 1.141 2350 F CA -1.795 56.174 58.000 -0.052 0.000 0.939 2350 F CB 1.206 40.380 39.000 0.290 0.000 1.325 2350 F HN 0.265 nan 8.300 nan 0.000 0.453 2351 V N 2.000 122.074 119.914 0.265 0.000 2.604 2351 V HA 0.696 4.610 4.120 -0.343 0.000 0.305 2351 V C -0.881 175.371 176.094 0.265 0.000 1.043 2351 V CA -0.917 61.461 62.300 0.129 0.000 0.888 2351 V CB 1.680 33.562 31.823 0.098 0.000 0.995 2351 V HN 0.777 nan 8.190 nan 0.000 0.429 2352 V N 5.355 125.372 119.914 0.171 0.000 2.409 2352 V HA 0.557 4.471 4.120 -0.343 0.000 0.291 2352 V C -0.053 176.133 176.094 0.154 0.000 1.020 2352 V CA -0.622 61.815 62.300 0.228 0.000 0.848 2352 V CB 1.633 33.588 31.823 0.220 0.000 0.990 2352 V HN 0.832 nan 8.190 nan 0.000 0.430 2353 R N 2.986 123.577 120.500 0.152 0.000 2.562 2353 R HA 0.814 4.948 4.340 -0.343 0.000 0.298 2353 R C -0.520 175.848 176.300 0.113 0.000 0.961 2353 R CA -0.524 55.612 56.100 0.060 0.000 0.881 2353 R CB 2.266 32.474 30.300 -0.153 0.000 1.159 2353 R HN 0.772 nan 8.270 nan 0.000 0.450 2354 A N 4.303 127.183 122.820 0.099 0.000 2.276 2354 A HA 0.654 4.768 4.320 -0.343 0.000 0.316 2354 A C -0.431 177.211 177.584 0.097 0.000 1.229 2354 A CA -0.530 51.584 52.037 0.128 0.000 0.851 2354 A CB 0.684 19.764 19.000 0.133 0.000 1.165 2354 A HN 0.649 nan 8.150 nan 0.000 0.513 2355 M N 1.444 121.113 119.600 0.115 0.000 2.644 2355 M HA 0.529 4.802 4.480 -0.343 0.000 0.304 2355 M C -0.188 176.137 176.300 0.042 0.000 1.215 2355 M CA -0.552 54.786 55.300 0.063 0.000 0.871 2355 M CB 2.768 35.407 32.600 0.065 0.000 1.740 2355 M HN 0.738 nan 8.290 nan 0.000 0.464 2356 T N 0.185 114.718 114.554 -0.034 0.000 2.863 2356 T HA 0.780 4.924 4.350 -0.343 0.000 0.285 2356 T C -1.204 173.438 174.700 -0.097 0.000 1.009 2356 T CA -0.816 61.221 62.100 -0.106 0.000 0.989 2356 T CB 1.806 70.596 68.868 -0.130 0.000 1.004 2356 T HN 0.522 nan 8.240 nan 0.000 0.455 2357 L N 1.840 123.043 121.223 -0.034 0.000 2.406 2357 L HA 0.672 4.806 4.340 -0.343 0.000 0.272 2357 L C -0.610 176.341 176.870 0.136 0.000 0.980 2357 L CA -0.468 54.388 54.840 0.027 0.000 0.831 2357 L CB 1.694 43.864 42.059 0.186 0.000 1.253 2357 L HN 0.989 nan 8.230 nan 0.000 0.406 2358 E N 3.052 123.231 120.200 -0.035 0.000 2.266 2358 E HA 0.280 4.424 4.350 -0.343 0.000 0.268 2358 E C -1.516 174.868 176.600 -0.360 0.000 0.879 2358 E CA -0.744 55.600 56.400 -0.092 0.000 0.762 2358 E CB 1.615 31.276 29.700 -0.066 0.000 1.199 2358 E HN 0.579 nan 8.360 nan 0.000 0.422 2359 D N 5.125 125.207 120.400 -0.530 0.000 2.380 2359 D HA 0.081 4.515 4.640 -0.343 0.000 0.230 2359 D C 1.256 177.405 176.300 -0.253 0.000 1.154 2359 D CA -0.481 53.164 54.000 -0.592 0.000 0.859 2359 D CB 0.650 41.047 40.800 -0.673 0.000 1.045 2359 D HN 0.639 nan 8.370 nan 0.000 0.495 2360 I N 1.286 121.736 120.570 -0.200 0.000 2.916 2360 I HA -0.140 3.824 4.170 -0.343 0.000 0.267 2360 I C 1.822 177.889 176.117 -0.084 0.000 1.263 2360 I CA 0.674 61.905 61.300 -0.115 0.000 1.471 2360 I CB -0.072 37.870 38.000 -0.097 0.000 1.089 2360 I HN 0.340 nan 8.210 nan 0.000 0.468 2361 Q N 2.100 121.842 119.800 -0.098 0.000 2.062 2361 Q HA -0.151 3.983 4.340 -0.343 0.000 0.196 2361 Q C 2.183 178.163 176.000 -0.033 0.000 0.967 2361 Q CA 2.454 58.221 55.803 -0.060 0.000 0.832 2361 Q CB -0.061 28.639 28.738 -0.064 0.000 0.899 2361 Q HN 0.671 nan 8.270 nan 0.000 0.442 2362 T N -2.891 111.646 114.554 -0.029 0.000 3.057 2362 T HA 0.193 4.337 4.350 -0.343 0.000 0.254 2362 T C 0.673 175.389 174.700 0.026 0.000 1.094 2362 T CA 0.100 62.211 62.100 0.017 0.000 1.088 2362 T CB 0.297 69.204 68.868 0.065 0.000 0.934 2362 T HN 0.277 nan 8.240 nan 0.000 0.497 2363 R N 0.690 121.192 120.500 0.003 0.000 3.963 2363 R HA -0.127 4.007 4.340 -0.343 0.000 0.394 2363 R C -0.043 176.291 176.300 0.057 0.000 1.131 2363 R CA 1.014 57.122 56.100 0.013 0.000 1.059 2363 R CB -2.282 28.026 30.300 0.013 0.000 1.614 2363 R HN 0.846 nan 8.270 nan 0.000 0.546 2364 E N 1.212 121.482 120.200 0.117 0.000 2.324 2364 E HA 0.282 4.426 4.350 -0.343 0.000 0.271 2364 E C -0.577 176.176 176.600 0.255 0.000 1.028 2364 E CA -0.174 56.352 56.400 0.209 0.000 0.890 2364 E CB 0.828 30.735 29.700 0.345 0.000 1.004 2364 E HN 0.026 nan 8.360 nan 0.000 0.431 2365 V N 5.919 125.928 119.914 0.160 0.000 2.495 2365 V HA 0.438 4.352 4.120 -0.343 0.000 0.298 2365 V C 0.021 176.135 176.094 0.034 0.000 1.031 2365 V CA -0.687 61.667 62.300 0.091 0.000 0.871 2365 V CB 1.588 33.401 31.823 -0.018 0.000 0.988 2365 V HN 0.710 nan 8.190 nan 0.000 0.432 2366 R N 2.722 123.241 120.500 0.032 0.000 2.711 2366 R HA 0.569 4.703 4.340 -0.343 0.000 0.284 2366 R C -0.971 175.217 176.300 -0.186 0.000 0.968 2366 R CA -0.867 55.210 56.100 -0.039 0.000 0.924 2366 R CB 1.781 32.067 30.300 -0.023 0.000 1.162 2366 R HN 0.703 nan 8.270 nan 0.000 0.465 2367 H N 3.206 122.312 119.070 0.061 0.000 2.597 2367 H HA 0.273 4.622 4.556 -0.344 0.000 0.303 2367 H C -0.147 175.233 175.328 0.085 0.000 1.057 2367 H CA -0.416 55.674 56.048 0.068 0.000 1.261 2367 H CB 1.166 30.956 29.762 0.047 0.000 1.397 2367 H HN 0.190 nan 8.280 nan 0.000 0.461 2368 I N 2.516 123.200 120.570 0.190 0.000 2.359 2368 I HA 0.101 4.065 4.170 -0.343 0.000 0.294 2368 I C 0.649 176.905 176.117 0.232 0.000 0.987 2368 I CA -0.381 61.056 61.300 0.230 0.000 1.225 2368 I CB 1.322 39.525 38.000 0.338 0.000 1.366 2368 I HN 0.330 nan 8.210 nan 0.000 0.466 2369 S N 5.721 121.544 115.700 0.204 0.000 2.422 2369 S HA 0.272 4.536 4.470 -0.343 0.000 0.308 2369 S C -0.226 174.520 174.600 0.243 0.000 1.097 2369 S CA -0.408 57.909 58.200 0.195 0.000 1.099 2369 S CB 0.439 63.707 63.200 0.113 0.000 0.976 2369 S HN 0.454 nan 8.310 nan 0.000 0.471 2370 H N 4.714 123.874 119.070 0.149 0.000 2.581 2370 H HA 0.387 4.736 4.556 -0.344 0.000 0.308 2370 H C -1.267 174.145 175.328 0.139 0.000 1.040 2370 H CA -0.607 55.524 56.048 0.138 0.000 1.231 2370 H CB 0.346 30.137 29.762 0.048 0.000 1.396 2370 H HN 0.486 nan 8.280 nan 0.000 0.467 2371 L N 5.317 126.520 121.223 -0.033 0.000 2.276 2371 L HA 0.200 4.334 4.340 -0.343 0.000 0.286 2371 L C 0.201 177.219 176.870 0.247 0.000 1.024 2371 L CA -0.668 54.272 54.840 0.166 0.000 0.826 2371 L CB 0.874 42.915 42.059 -0.031 0.000 1.211 2371 L HN 0.484 nan 8.230 nan 0.000 0.422 2372 N N 3.330 122.231 118.700 0.334 0.000 2.558 2372 N HA 0.231 4.765 4.740 -0.343 0.000 0.242 2372 N C -1.179 174.514 175.510 0.305 0.000 0.979 2372 N CA -0.357 52.833 53.050 0.233 0.000 0.931 2372 N CB 0.654 39.245 38.487 0.173 0.000 1.122 2372 N HN 0.313 nan 8.380 nan 0.000 0.508 2373 F N 2.982 122.906 119.950 -0.044 0.000 2.421 2373 F HA 0.227 4.549 4.527 -0.343 0.000 0.358 2373 F C 1.530 177.308 175.800 -0.037 0.000 1.115 2373 F CA -0.139 57.735 58.000 -0.210 0.000 1.160 2373 F CB 0.823 39.334 39.000 -0.816 0.000 1.123 2373 F HN 0.517 nan 8.300 nan 0.000 0.508 2374 T N 1.569 115.881 114.554 -0.404 0.000 3.069 2374 T HA 0.308 4.452 4.350 -0.343 0.000 0.252 2374 T C 0.922 175.486 174.700 -0.227 0.000 1.053 2374 T CA 0.391 62.370 62.100 -0.202 0.000 0.964 2374 T CB 0.177 68.976 68.868 -0.115 0.000 1.005 2374 T HN 0.534 nan 8.240 nan 0.000 0.532 2375 A N 0.992 123.502 122.820 -0.517 0.000 3.012 2375 A HA 0.498 4.612 4.320 -0.343 0.000 0.295 2375 A C -0.519 177.160 177.584 0.159 0.000 1.338 2375 A CA -0.736 51.171 52.037 -0.217 0.000 0.981 2375 A CB -0.672 18.137 19.000 -0.317 0.000 1.091 2375 A HN 0.571 nan 8.150 nan 0.000 0.602 2376 W N 1.398 122.714 121.300 0.028 0.000 2.538 2376 W HA 0.442 4.897 4.660 -0.341 0.000 0.291 2376 W C -3.420 173.080 176.519 -0.032 0.000 1.020 2376 W CA -3.078 54.297 57.345 0.050 0.000 1.375 2376 W CB 1.190 30.730 29.460 0.132 0.000 1.247 2376 W HN 0.108 nan 8.180 nan 0.000 0.377 2377 P HA 0.003 nan 4.420 nan 0.000 0.271 2377 P C -0.022 177.300 177.300 0.037 0.000 1.218 2377 P CA 0.302 63.471 63.100 0.115 0.000 0.780 2377 P CB 0.866 32.618 31.700 0.087 0.000 0.901 2378 D N 1.272 121.598 120.400 -0.125 0.000 2.472 2378 D HA -0.059 4.375 4.640 -0.343 0.000 0.237 2378 D C 0.425 176.509 176.300 -0.360 0.000 1.141 2378 D CA 0.718 54.483 54.000 -0.392 0.000 0.875 2378 D CB -0.118 40.360 40.800 -0.536 0.000 1.192 2378 D HN 0.531 nan 8.370 nan 0.000 0.450 2379 H N -0.308 118.748 119.070 -0.023 0.000 3.047 2379 H HA -0.201 4.148 4.556 -0.344 0.000 0.263 2379 H C -0.112 175.249 175.328 0.055 0.000 1.168 2379 H CA 1.097 57.147 56.048 0.003 0.000 1.152 2379 H CB -0.770 28.986 29.762 -0.010 0.000 1.278 2379 H HN 0.345 nan 8.280 nan 0.000 0.339 2380 D N -0.176 120.321 120.400 0.163 0.000 2.727 2380 D HA 0.458 4.892 4.640 -0.343 0.000 0.264 2380 D C 0.379 176.824 176.300 0.241 0.000 1.101 2380 D CA 0.298 54.397 54.000 0.164 0.000 1.122 2380 D CB 1.549 42.426 40.800 0.129 0.000 1.390 2380 D HN 0.161 nan 8.370 nan 0.000 0.606 2381 T N -2.185 112.359 114.554 -0.018 0.000 2.950 2381 T HA 0.705 4.849 4.350 -0.343 0.000 0.288 2381 T C -2.695 171.541 174.700 -0.772 0.000 1.035 2381 T CA -1.926 59.886 62.100 -0.480 0.000 1.028 2381 T CB 1.435 69.966 68.868 -0.563 0.000 1.109 2381 T HN 0.037 nan 8.240 nan 0.000 0.514 2382 P HA 0.115 nan 4.420 nan 0.000 0.266 2382 P C 0.775 177.832 177.300 -0.405 0.000 1.195 2382 P CA -0.192 62.349 63.100 -0.932 0.000 0.768 2382 P CB 0.495 31.547 31.700 -1.080 0.000 0.838 2383 S N 1.260 116.863 115.700 -0.163 0.000 2.528 2383 S HA 0.014 4.278 4.470 -0.343 0.000 0.219 2383 S C 0.508 175.078 174.600 -0.050 0.000 0.985 2383 S CA 0.323 58.469 58.200 -0.090 0.000 0.914 2383 S CB -0.264 62.909 63.200 -0.045 0.000 0.776 2383 S HN 0.377 nan 8.310 nan 0.000 0.526 2384 Q N 1.209 121.004 119.800 -0.007 0.000 3.244 2384 Q HA 0.319 4.453 4.340 -0.343 0.000 0.249 2384 Q C -2.331 173.722 176.000 0.088 0.000 0.951 2384 Q CA -1.803 54.035 55.803 0.058 0.000 0.740 2384 Q CB 1.600 30.406 28.738 0.113 0.000 1.334 2384 Q HN 0.276 nan 8.270 nan 0.000 0.448 2385 P HA -0.189 nan 4.420 nan 0.000 0.215 2385 P C 0.547 177.891 177.300 0.073 0.000 1.153 2385 P CA 1.152 64.277 63.100 0.041 0.000 0.853 2385 P CB 0.570 32.275 31.700 0.008 0.000 0.788 2386 D N 0.057 120.506 120.400 0.081 0.000 2.117 2386 D HA -0.136 4.298 4.640 -0.343 0.000 0.197 2386 D C 1.563 177.976 176.300 0.189 0.000 0.987 2386 D CA 1.077 55.174 54.000 0.161 0.000 0.829 2386 D CB -0.483 40.408 40.800 0.151 0.000 0.961 2386 D HN 0.177 nan 8.370 nan 0.000 0.460 2387 D N 0.386 120.927 120.400 0.234 0.000 2.178 2387 D HA -0.114 4.320 4.640 -0.343 0.000 0.202 2387 D C 2.200 178.754 176.300 0.423 0.000 0.974 2387 D CA 0.199 54.433 54.000 0.389 0.000 0.841 2387 D CB -0.217 40.846 40.800 0.438 0.000 0.953 2387 D HN 0.175 nan 8.370 nan 0.000 0.478 2388 L N 0.621 121.944 121.223 0.167 0.000 2.093 2388 L HA -0.075 4.059 4.340 -0.343 0.000 0.208 2388 L C 2.111 178.956 176.870 -0.042 0.000 1.085 2388 L CA 1.261 55.911 54.840 -0.317 0.000 0.755 2388 L CB -0.455 41.257 42.059 -0.577 0.000 0.904 2388 L HN -0.028 nan 8.230 nan 0.000 0.435 2389 L N -1.112 120.139 121.223 0.047 0.000 2.083 2389 L HA -0.205 3.929 4.340 -0.343 0.000 0.209 2389 L C 2.334 179.258 176.870 0.091 0.000 1.083 2389 L CA 1.736 56.614 54.840 0.063 0.000 0.752 2389 L CB -0.978 41.132 42.059 0.085 0.000 0.899 2389 L HN 0.296 nan 8.230 nan 0.000 0.433 2390 T N -0.300 114.342 114.554 0.147 0.000 2.708 2390 T HA -0.224 3.920 4.350 -0.343 0.000 0.266 2390 T C 1.594 176.359 174.700 0.110 0.000 1.037 2390 T CA 1.434 63.636 62.100 0.170 0.000 1.146 2390 T CB -0.404 68.632 68.868 0.281 0.000 0.865 2390 T HN 0.239 nan 8.240 nan 0.000 0.435 2391 F N 1.806 121.640 119.950 -0.192 0.000 2.091 2391 F HA -0.134 4.186 4.527 -0.346 0.000 0.299 2391 F C 1.988 177.676 175.800 -0.187 0.000 1.103 2391 F CA 1.239 58.940 58.000 -0.499 0.000 1.228 2391 F CB -0.454 38.233 39.000 -0.522 0.000 0.984 2391 F HN 0.085 nan 8.300 nan 0.000 0.477 2392 I N 0.152 120.783 120.570 0.101 0.000 2.226 2392 I HA -0.327 3.637 4.170 -0.343 0.000 0.245 2392 I C 2.668 178.758 176.117 -0.045 0.000 1.100 2392 I CA 1.570 62.884 61.300 0.023 0.000 1.374 2392 I CB -0.796 37.241 38.000 0.062 0.000 1.057 2392 I HN 0.342 nan 8.210 nan 0.000 0.413 2393 S N 0.153 115.857 115.700 0.006 0.000 2.419 2393 S HA -0.257 4.007 4.470 -0.343 0.000 0.233 2393 S C 2.094 176.721 174.600 0.045 0.000 1.016 2393 S CA 0.905 59.119 58.200 0.024 0.000 0.974 2393 S CB -0.763 62.464 63.200 0.045 0.000 0.786 2393 S HN 0.527 nan 8.310 nan 0.000 0.492 2394 Y N 1.676 121.916 120.300 -0.100 0.000 2.243 2394 Y HA 0.174 4.519 4.550 -0.342 0.000 0.293 2394 Y C 2.434 178.263 175.900 -0.117 0.000 1.124 2394 Y CA 1.324 59.379 58.100 -0.075 0.000 1.159 2394 Y CB -0.438 37.967 38.460 -0.092 0.000 1.008 2394 Y HN 0.334 nan 8.280 nan 0.000 0.527 2395 M N -0.491 118.894 119.600 -0.358 0.000 2.117 2395 M HA -0.216 4.058 4.480 -0.343 0.000 0.262 2395 M C 2.080 178.217 176.300 -0.271 0.000 1.065 2395 M CA 1.689 56.748 55.300 -0.401 0.000 1.114 2395 M CB -0.152 32.202 32.600 -0.411 0.000 1.361 2395 M HN 0.070 nan 8.290 nan 0.000 0.408 2396 R N -0.538 119.847 120.500 -0.192 0.000 2.081 2396 R HA -0.166 3.968 4.340 -0.343 0.000 0.235 2396 R C 2.307 178.546 176.300 -0.101 0.000 1.131 2396 R CA 1.594 57.605 56.100 -0.149 0.000 0.960 2396 R CB -1.461 28.781 30.300 -0.096 0.000 0.856 2396 R HN 0.660 nan 8.270 nan 0.000 0.436 2397 H N 1.071 120.031 119.070 -0.184 0.000 2.353 2397 H HA -0.071 4.280 4.556 -0.343 0.000 0.300 2397 H C 1.929 177.127 175.328 -0.217 0.000 1.090 2397 H CA 1.863 57.811 56.048 -0.166 0.000 1.327 2397 H CB 0.157 29.840 29.762 -0.131 0.000 1.383 2397 H HN 0.286 nan 8.280 nan 0.000 0.508 2398 I N -1.468 118.857 120.570 -0.408 0.000 3.030 2398 I HA -0.003 3.961 4.170 -0.343 0.000 0.270 2398 I C 1.244 177.196 176.117 -0.275 0.000 1.211 2398 I CA 0.182 61.232 61.300 -0.417 0.000 1.479 2398 I CB -0.471 37.253 38.000 -0.459 0.000 1.105 2398 I HN 0.070 nan 8.210 nan 0.000 0.447 2399 H N 3.337 122.228 119.070 -0.298 0.000 3.046 2399 H HA 0.136 4.484 4.556 -0.346 0.000 0.303 2399 H C 0.258 175.459 175.328 -0.212 0.000 1.002 2399 H CA 0.607 56.515 56.048 -0.234 0.000 1.460 2399 H CB 0.827 30.440 29.762 -0.247 0.000 1.493 2399 H HN 0.398 nan 8.280 nan 0.000 0.559 2400 R N 2.813 122.890 120.500 -0.705 0.000 2.098 2400 R HA 0.092 4.226 4.340 -0.343 0.000 0.203 2400 R C 0.257 176.134 176.300 -0.705 0.000 1.166 2400 R CA 0.651 56.423 56.100 -0.548 0.000 1.090 2400 R CB 0.265 30.374 30.300 -0.317 0.000 0.992 2400 R HN 0.644 nan 8.270 nan 0.000 0.477 2401 S N -1.168 114.128 115.700 -0.674 0.000 2.671 2401 S HA 0.694 4.958 4.470 -0.343 0.000 0.277 2401 S C -0.183 174.307 174.600 -0.183 0.000 1.165 2401 S CA -0.275 57.687 58.200 -0.397 0.000 0.822 2401 S CB 2.209 65.285 63.200 -0.206 0.000 1.150 2401 S HN 0.561 nan 8.310 nan 0.000 0.479 2402 G N 0.758 109.546 108.800 -0.020 0.000 2.758 2402 G HA2 0.053 3.807 3.960 -0.343 0.000 0.686 2402 G HA3 0.053 3.807 3.960 -0.343 0.000 0.686 2402 G C -3.213 171.764 174.900 0.128 0.000 1.389 2402 G CA -0.460 44.661 45.100 0.035 0.000 0.845 2402 G HN 0.775 nan 8.290 nan 0.000 0.572 2403 P HA 0.420 nan 4.420 nan 0.000 0.274 2403 P C 0.099 177.395 177.300 -0.007 0.000 1.231 2403 P CA -0.209 62.900 63.100 0.015 0.000 0.790 2403 P CB 0.786 32.539 31.700 0.088 0.000 0.951 2404 I N 3.120 123.621 120.570 -0.115 0.000 2.325 2404 I HA 0.155 4.119 4.170 -0.343 0.000 0.291 2404 I C 0.735 176.898 176.117 0.076 0.000 1.019 2404 I CA -0.835 60.433 61.300 -0.053 0.000 1.302 2404 I CB 0.578 38.487 38.000 -0.153 0.000 1.401 2404 I HN 0.100 nan 8.210 nan 0.000 0.485 2405 I N 6.144 126.763 120.570 0.082 0.000 2.452 2405 I HA 0.081 4.045 4.170 -0.343 0.000 0.287 2405 I C 0.701 176.911 176.117 0.155 0.000 1.079 2405 I CA 0.111 61.479 61.300 0.113 0.000 1.387 2405 I CB 0.356 38.429 38.000 0.121 0.000 1.404 2405 I HN 0.534 nan 8.210 nan 0.000 0.522 2406 T N 3.844 118.485 114.554 0.145 0.000 2.791 2406 T HA 0.707 4.850 4.350 -0.343 0.000 0.288 2406 T C -0.564 174.195 174.700 0.099 0.000 0.999 2406 T CA -0.698 61.451 62.100 0.082 0.000 0.952 2406 T CB 1.144 70.018 68.868 0.009 0.000 0.938 2406 T HN 0.775 nan 8.240 nan 0.000 0.444 2407 H N 0.150 119.230 119.070 0.016 0.000 2.985 2407 H HA 0.840 5.189 4.556 -0.346 0.000 0.360 2407 H C -0.134 175.169 175.328 -0.042 0.000 1.221 2407 H CA -0.793 55.247 56.048 -0.014 0.000 1.121 2407 H CB 0.974 30.740 29.762 0.007 0.000 1.854 2407 H HN 0.847 nan 8.280 nan 0.000 0.551 2408 C N -0.557 118.790 119.300 0.078 0.000 4.239 2408 C HA 0.591 4.845 4.460 -0.343 0.000 0.179 2408 C C 1.792 176.871 174.990 0.149 0.000 3.668 2408 C CA 0.351 59.354 59.018 -0.025 0.000 1.689 2408 C CB 0.839 28.460 27.740 -0.199 0.000 4.158 2408 C HN 0.792 nan 8.230 nan 0.000 0.461 2409 S N 0.250 115.988 115.700 0.063 0.000 2.438 2409 S HA 0.310 4.574 4.470 -0.343 0.000 0.220 2409 S C 1.845 176.587 174.600 0.235 0.000 1.045 2409 S CA 1.179 59.469 58.200 0.149 0.000 0.940 2409 S CB -0.595 62.697 63.200 0.154 0.000 0.863 2409 S HN 1.010 nan 8.310 nan 0.000 0.539 2410 A N -0.198 122.742 122.820 0.200 0.000 2.132 2410 A HA 0.490 4.604 4.320 -0.343 0.000 0.213 2410 A C 1.584 179.223 177.584 0.091 0.000 1.154 2410 A CA 1.008 53.174 52.037 0.215 0.000 0.753 2410 A CB -0.855 18.137 19.000 -0.012 0.000 0.826 2410 A HN 1.394 nan 8.150 nan 0.000 0.469 2411 G N -0.416 108.405 108.800 0.035 0.000 2.147 2411 G HA2 -0.289 3.465 3.960 -0.343 0.000 0.244 2411 G HA3 -0.289 3.465 3.960 -0.343 0.000 0.244 2411 G C 0.657 175.537 174.900 -0.034 0.000 1.005 2411 G CA 0.873 45.977 45.100 0.007 0.000 0.713 2411 G HN 1.303 nan 8.290 nan 0.000 0.515 2412 I N -4.680 115.855 120.570 -0.058 0.000 4.399 2412 I HA 0.473 4.437 4.170 -0.343 0.000 0.301 2412 I C 2.036 178.102 176.117 -0.086 0.000 1.198 2412 I CA 0.844 62.106 61.300 -0.064 0.000 1.315 2412 I CB -0.429 37.545 38.000 -0.044 0.000 1.452 2412 I HN 0.043 nan 8.210 nan 0.000 0.457 2413 G N 1.774 110.508 108.800 -0.110 0.000 2.547 2413 G HA2 -0.055 3.699 3.960 -0.343 0.000 0.214 2413 G HA3 -0.055 3.699 3.960 -0.343 0.000 0.214 2413 G C 1.687 176.454 174.900 -0.222 0.000 1.254 2413 G CA 0.600 45.631 45.100 -0.116 0.000 0.817 2413 G HN 0.216 nan 8.290 nan 0.000 0.551 2414 R N 0.308 120.534 120.500 -0.456 0.000 2.092 2414 R HA 0.035 4.168 4.340 -0.343 0.000 0.231 2414 R C 2.995 178.907 176.300 -0.647 0.000 1.119 2414 R CA 1.266 56.801 56.100 -0.942 0.000 0.970 2414 R CB -0.250 29.227 30.300 -1.371 0.000 0.864 2414 R HN 0.287 nan 8.270 nan 0.000 0.440 2415 S N -0.103 115.370 115.700 -0.379 0.000 2.383 2415 S HA -0.075 4.189 4.470 -0.343 0.000 0.227 2415 S C 1.973 176.458 174.600 -0.192 0.000 1.026 2415 S CA 1.263 59.314 58.200 -0.248 0.000 0.981 2415 S CB -0.232 62.872 63.200 -0.159 0.000 0.818 2415 S HN 0.610 nan 8.310 nan 0.000 0.472 2416 G N 1.197 109.911 108.800 -0.143 0.000 2.408 2416 G HA2 -0.153 3.601 3.960 -0.343 0.000 0.217 2416 G HA3 -0.153 3.601 3.960 -0.343 0.000 0.217 2416 G C 1.433 176.313 174.900 -0.032 0.000 1.150 2416 G CA 1.366 46.414 45.100 -0.086 0.000 0.776 2416 G HN 0.483 nan 8.290 nan 0.000 0.542 2417 T N 1.205 115.775 114.554 0.026 0.000 2.777 2417 T HA -0.109 4.035 4.350 -0.343 0.000 0.266 2417 T C 2.241 177.054 174.700 0.189 0.000 1.040 2417 T CA 1.145 63.357 62.100 0.187 0.000 1.141 2417 T CB -0.211 68.918 68.868 0.436 0.000 0.868 2417 T HN 0.158 nan 8.240 nan 0.000 0.444 2418 L N 1.229 122.530 121.223 0.129 0.000 2.012 2418 L HA 0.012 4.146 4.340 -0.343 0.000 0.210 2418 L C 2.134 178.989 176.870 -0.025 0.000 1.073 2418 L CA 1.596 56.494 54.840 0.097 0.000 0.748 2418 L CB -0.709 41.356 42.059 0.010 0.000 0.891 2418 L HN 0.250 nan 8.230 nan 0.000 0.431 2419 I N -1.170 119.299 120.570 -0.168 0.000 2.179 2419 I HA -0.376 3.588 4.170 -0.343 0.000 0.242 2419 I C 2.811 178.868 176.117 -0.099 0.000 1.088 2419 I CA 1.471 62.582 61.300 -0.314 0.000 1.357 2419 I CB -0.615 37.049 38.000 -0.560 0.000 1.051 2419 I HN 0.549 nan 8.210 nan 0.000 0.409 2420 C N 1.395 120.657 119.300 -0.063 0.000 2.413 2420 C HA -0.192 4.062 4.460 -0.343 0.000 0.276 2420 C C 2.758 177.703 174.990 -0.076 0.000 1.236 2420 C CA 1.065 60.053 59.018 -0.051 0.000 1.735 2420 C CB -0.902 26.808 27.740 -0.049 0.000 2.031 2420 C HN 0.405 nan 8.230 nan 0.000 0.474 2421 I N 0.735 121.269 120.570 -0.060 0.000 2.179 2421 I HA -0.152 3.812 4.170 -0.343 0.000 0.242 2421 I C 2.356 178.441 176.117 -0.053 0.000 1.088 2421 I CA 2.210 63.451 61.300 -0.099 0.000 1.357 2421 I CB -0.733 37.232 38.000 -0.058 0.000 1.051 2421 I HN 0.378 nan 8.210 nan 0.000 0.409 2422 D N 0.866 121.286 120.400 0.033 0.000 2.106 2422 D HA -0.177 4.257 4.640 -0.343 0.000 0.191 2422 D C 2.169 178.620 176.300 0.252 0.000 0.997 2422 D CA 1.536 55.618 54.000 0.136 0.000 0.834 2422 D CB -0.071 40.837 40.800 0.181 0.000 0.956 2422 D HN 0.077 nan 8.370 nan 0.000 0.448 2423 V N -0.204 119.844 119.914 0.223 0.000 2.295 2423 V HA -0.216 3.698 4.120 -0.343 0.000 0.246 2423 V C 2.696 178.741 176.094 -0.082 0.000 1.049 2423 V CA 1.423 63.782 62.300 0.099 0.000 1.024 2423 V CB -0.431 31.423 31.823 0.052 0.000 0.648 2423 V HN 0.150 nan 8.190 nan 0.000 0.447 2424 V N -0.174 119.643 119.914 -0.161 0.000 2.343 2424 V HA -0.264 3.650 4.120 -0.343 0.000 0.247 2424 V C 2.293 178.187 176.094 -0.335 0.000 1.051 2424 V CA 1.966 64.054 62.300 -0.353 0.000 1.036 2424 V CB -0.561 30.894 31.823 -0.613 0.000 0.654 2424 V HN 0.455 nan 8.190 nan 0.000 0.451 2425 L N 0.319 121.409 121.223 -0.221 0.000 2.083 2425 L HA -0.079 4.055 4.340 -0.343 0.000 0.209 2425 L C 2.622 179.438 176.870 -0.090 0.000 1.083 2425 L CA 1.659 56.395 54.840 -0.174 0.000 0.752 2425 L CB -1.090 40.911 42.059 -0.096 0.000 0.899 2425 L HN 0.469 nan 8.230 nan 0.000 0.433 2426 G N -0.004 108.795 108.800 -0.001 0.000 2.408 2426 G HA2 -0.169 3.584 3.960 -0.343 0.000 0.217 2426 G HA3 -0.169 3.584 3.960 -0.343 0.000 0.217 2426 G C 1.636 176.483 174.900 -0.088 0.000 1.150 2426 G CA 0.395 45.506 45.100 0.017 0.000 0.776 2426 G HN 0.210 nan 8.290 nan 0.000 0.542 2427 L N 0.008 121.157 121.223 -0.124 0.000 2.027 2427 L HA 0.026 4.159 4.340 -0.343 0.000 0.206 2427 L C 2.820 179.691 176.870 0.002 0.000 1.074 2427 L CA 0.665 55.473 54.840 -0.053 0.000 0.745 2427 L CB -0.359 41.701 42.059 0.001 0.000 0.898 2427 L HN 0.165 nan 8.230 nan 0.000 0.433 2428 I N -0.636 119.861 120.570 -0.121 0.000 2.264 2428 I HA -0.289 3.675 4.170 -0.343 0.000 0.248 2428 I C 2.512 178.577 176.117 -0.086 0.000 1.111 2428 I CA 1.118 62.251 61.300 -0.279 0.000 1.382 2428 I CB -0.233 37.399 38.000 -0.614 0.000 1.060 2428 I HN 0.164 nan 8.210 nan 0.000 0.418 2429 S N -0.193 115.470 115.700 -0.062 0.000 2.442 2429 S HA -0.173 4.091 4.470 -0.343 0.000 0.236 2429 S C 1.556 176.178 174.600 0.038 0.000 1.007 2429 S CA 1.069 59.266 58.200 -0.004 0.000 0.965 2429 S CB -0.182 63.022 63.200 0.007 0.000 0.773 2429 S HN 0.517 nan 8.310 nan 0.000 0.504 2430 Q N 0.248 120.076 119.800 0.048 0.000 2.188 2430 Q HA 0.163 4.297 4.340 -0.343 0.000 0.212 2430 Q C -0.553 175.502 176.000 0.091 0.000 0.846 2430 Q CA -0.136 55.700 55.803 0.054 0.000 0.989 2430 Q CB 0.413 29.166 28.738 0.025 0.000 1.114 2430 Q HN 0.274 nan 8.270 nan 0.000 0.488 2431 D N 0.450 120.951 120.400 0.168 0.000 2.772 2431 D HA -0.174 4.260 4.640 -0.343 0.000 0.233 2431 D C -1.218 175.190 176.300 0.179 0.000 1.143 2431 D CA 0.661 54.793 54.000 0.219 0.000 0.700 2431 D CB -0.926 39.935 40.800 0.100 0.000 1.076 2431 D HN 0.274 nan 8.370 nan 0.000 0.430 2432 L N -0.247 121.120 121.223 0.239 0.000 2.322 2432 L HA 0.560 4.694 4.340 -0.343 0.000 0.269 2432 L C 1.012 178.040 176.870 0.264 0.000 1.012 2432 L CA -1.221 53.719 54.840 0.166 0.000 0.815 2432 L CB 1.244 43.362 42.059 0.098 0.000 1.295 2432 L HN -0.110 nan 8.230 nan 0.000 0.438 2433 D N 0.250 120.730 120.400 0.134 0.000 2.371 2433 D HA 0.447 4.881 4.640 -0.343 0.000 0.242 2433 D C -0.965 175.438 176.300 0.171 0.000 1.218 2433 D CA 0.630 54.677 54.000 0.079 0.000 0.945 2433 D CB 0.711 41.488 40.800 -0.040 0.000 1.137 2433 D HN 0.272 nan 8.370 nan 0.000 0.464 2434 F N -1.300 118.675 119.950 0.043 0.000 2.654 2434 F HA 0.457 4.778 4.527 -0.345 0.000 0.308 2434 F C -1.578 174.214 175.800 -0.013 0.000 1.108 2434 F CA -1.038 56.958 58.000 -0.008 0.000 0.957 2434 F CB 1.576 40.548 39.000 -0.046 0.000 1.309 2434 F HN 0.057 nan 8.300 nan 0.000 0.446 2435 D N 3.515 124.016 120.400 0.167 0.000 2.476 2435 D HA 0.336 4.770 4.640 -0.343 0.000 0.251 2435 D C 0.534 176.921 176.300 0.146 0.000 1.291 2435 D CA -0.263 53.796 54.000 0.098 0.000 0.939 2435 D CB 1.716 42.548 40.800 0.054 0.000 1.221 2435 D HN 0.746 nan 8.370 nan 0.000 0.567 2436 I N 1.915 122.561 120.570 0.127 0.000 2.286 2436 I HA -0.240 3.724 4.170 -0.343 0.000 0.248 2436 I C 2.424 178.637 176.117 0.160 0.000 1.115 2436 I CA 0.762 62.072 61.300 0.016 0.000 1.392 2436 I CB -0.078 37.715 38.000 -0.344 0.000 1.065 2436 I HN 0.306 nan 8.210 nan 0.000 0.418 2437 S N 0.597 116.462 115.700 0.274 0.000 2.368 2437 S HA -0.217 4.046 4.470 -0.343 0.000 0.225 2437 S C 1.721 176.434 174.600 0.188 0.000 1.030 2437 S CA 1.782 60.170 58.200 0.313 0.000 0.999 2437 S CB -0.232 63.125 63.200 0.261 0.000 0.844 2437 S HN 0.369 nan 8.310 nan 0.000 0.459 2438 D N 0.920 121.402 120.400 0.137 0.000 2.144 2438 D HA -0.055 4.379 4.640 -0.343 0.000 0.199 2438 D C 1.867 178.222 176.300 0.093 0.000 0.984 2438 D CA 0.721 54.779 54.000 0.097 0.000 0.834 2438 D CB -0.489 40.356 40.800 0.075 0.000 0.955 2438 D HN 0.346 nan 8.370 nan 0.000 0.465 2439 L N 0.510 121.790 121.223 0.095 0.000 2.017 2439 L HA -0.119 4.015 4.340 -0.343 0.000 0.208 2439 L C 2.182 179.106 176.870 0.089 0.000 1.073 2439 L CA 1.358 56.243 54.840 0.076 0.000 0.745 2439 L CB -0.533 41.555 42.059 0.049 0.000 0.894 2439 L HN -0.121 nan 8.230 nan 0.000 0.432 2440 V N -0.082 119.908 119.914 0.128 0.000 2.515 2440 V HA -0.243 3.671 4.120 -0.343 0.000 0.250 2440 V C 2.771 178.932 176.094 0.111 0.000 1.058 2440 V CA 1.885 64.272 62.300 0.145 0.000 1.064 2440 V CB -0.791 31.197 31.823 0.275 0.000 0.675 2440 V HN 0.491 nan 8.190 nan 0.000 0.461 2441 R N -0.498 120.067 120.500 0.108 0.000 2.081 2441 R HA -0.217 3.917 4.340 -0.343 0.000 0.235 2441 R C 2.469 178.818 176.300 0.081 0.000 1.131 2441 R CA 2.024 58.173 56.100 0.082 0.000 0.960 2441 R CB -0.728 29.617 30.300 0.076 0.000 0.856 2441 R HN 0.605 nan 8.270 nan 0.000 0.436 2442 C N 0.514 119.863 119.300 0.081 0.000 2.425 2442 C HA -0.069 4.185 4.460 -0.343 0.000 0.277 2442 C C 2.596 177.644 174.990 0.097 0.000 1.280 2442 C CA 0.920 59.986 59.018 0.081 0.000 1.744 2442 C CB -0.763 27.021 27.740 0.074 0.000 1.989 2442 C HN 0.552 nan 8.230 nan 0.000 0.491 2443 M N -0.059 119.596 119.600 0.091 0.000 2.132 2443 M HA -0.070 4.204 4.480 -0.343 0.000 0.263 2443 M C 2.432 178.795 176.300 0.105 0.000 1.065 2443 M CA 1.652 57.006 55.300 0.090 0.000 1.122 2443 M CB -0.534 32.099 32.600 0.056 0.000 1.365 2443 M HN 0.294 nan 8.290 nan 0.000 0.411 2444 R N 0.402 120.957 120.500 0.092 0.000 2.237 2444 R HA 0.012 4.146 4.340 -0.343 0.000 0.219 2444 R C 1.656 178.097 176.300 0.235 0.000 1.080 2444 R CA 0.767 56.925 56.100 0.098 0.000 0.995 2444 R CB -0.277 30.039 30.300 0.025 0.000 0.875 2444 R HN 0.392 nan 8.270 nan 0.000 0.462 2445 L N 0.185 121.529 121.223 0.201 0.000 2.591 2445 L HA -0.008 4.126 4.340 -0.343 0.000 0.228 2445 L C 1.557 178.587 176.870 0.266 0.000 1.133 2445 L CA 0.634 55.590 54.840 0.193 0.000 0.880 2445 L CB 0.122 42.230 42.059 0.083 0.000 1.033 2445 L HN 0.215 nan 8.230 nan 0.000 0.450 2446 Q N -0.779 119.220 119.800 0.333 0.000 2.422 2446 Q HA 0.191 4.325 4.340 -0.343 0.000 0.255 2446 Q C 0.537 176.759 176.000 0.371 0.000 0.864 2446 Q CA 0.029 56.035 55.803 0.338 0.000 0.968 2446 Q CB 1.206 30.078 28.738 0.224 0.000 1.130 2446 Q HN 0.161 nan 8.270 nan 0.000 0.556 2447 R N 0.782 121.416 120.500 0.223 0.000 2.510 2447 R HA 0.146 4.280 4.340 -0.343 0.000 0.287 2447 R C -1.413 174.833 176.300 -0.090 0.000 1.084 2447 R CA -0.433 55.640 56.100 -0.045 0.000 0.934 2447 R CB 1.108 31.399 30.300 -0.015 0.000 1.201 2447 R HN 0.110 nan 8.270 nan 0.000 0.431 2448 H N 2.676 121.466 119.070 -0.466 0.000 2.897 2448 H HA 0.073 4.420 4.556 -0.347 0.000 0.347 2448 H C 0.853 176.128 175.328 -0.088 0.000 1.068 2448 H CA 2.912 58.836 56.048 -0.207 0.000 1.426 2448 H CB 1.075 30.664 29.762 -0.290 0.000 1.410 2448 H HN 0.975 nan 8.280 nan 0.000 0.597 2449 G N 4.635 113.102 108.800 -0.555 0.000 2.179 2449 G HA2 -0.257 3.497 3.960 -0.343 0.000 0.260 2449 G HA3 -0.257 3.497 3.960 -0.343 0.000 0.260 2449 G C 0.399 175.225 174.900 -0.123 0.000 0.977 2449 G CA 0.226 45.146 45.100 -0.299 0.000 0.641 2449 G HN 0.518 nan 8.290 nan 0.000 0.533 2450 M N 0.425 119.973 119.600 -0.086 0.000 2.261 2450 M HA 0.343 4.617 4.480 -0.343 0.000 0.350 2450 M C 1.248 177.551 176.300 0.005 0.000 1.343 2450 M CA 0.604 55.883 55.300 -0.035 0.000 1.003 2450 M CB -0.134 32.457 32.600 -0.015 0.000 1.848 2450 M HN 0.921 nan 8.290 nan 0.000 0.456 2451 V N 3.117 123.043 119.914 0.021 0.000 3.556 2451 V HA -0.226 3.688 4.120 -0.343 0.000 0.463 2451 V C 1.061 177.198 176.094 0.072 0.000 0.681 2451 V CA 0.876 63.229 62.300 0.089 0.000 1.957 2451 V CB -1.508 30.428 31.823 0.189 0.000 2.397 2451 V HN 1.054 nan 8.190 nan 0.000 0.496 2452 Q N 2.455 122.288 119.800 0.056 0.000 2.096 2452 Q HA -0.018 4.116 4.340 -0.343 0.000 0.197 2452 Q C 1.148 177.184 176.000 0.060 0.000 0.964 2452 Q CA 1.623 57.452 55.803 0.043 0.000 0.838 2452 Q CB 0.440 29.205 28.738 0.044 0.000 0.906 2452 Q HN 1.076 nan 8.270 nan 0.000 0.444 2453 T N -3.325 111.289 114.554 0.101 0.000 2.950 2453 T HA 0.205 4.349 4.350 -0.343 0.000 0.288 2453 T C 0.590 175.369 174.700 0.131 0.000 1.035 2453 T CA -0.623 61.535 62.100 0.097 0.000 1.028 2453 T CB 1.671 70.604 68.868 0.109 0.000 1.109 2453 T HN 0.268 nan 8.240 nan 0.000 0.514 2454 E N 0.413 120.672 120.200 0.097 0.000 2.058 2454 E HA -0.232 3.912 4.350 -0.343 0.000 0.194 2454 E C 1.064 177.774 176.600 0.183 0.000 0.997 2454 E CA 1.709 58.179 56.400 0.116 0.000 0.801 2454 E CB -0.139 29.600 29.700 0.065 0.000 0.746 2454 E HN 0.692 nan 8.360 nan 0.000 0.450 2455 D N 0.226 120.716 120.400 0.149 0.000 2.178 2455 D HA -0.147 4.287 4.640 -0.343 0.000 0.201 2455 D C 1.990 178.423 176.300 0.223 0.000 0.980 2455 D CA 0.891 54.988 54.000 0.162 0.000 0.842 2455 D CB -0.120 40.747 40.800 0.111 0.000 0.948 2455 D HN 0.370 nan 8.370 nan 0.000 0.472 2456 Q N -0.748 119.193 119.800 0.234 0.000 2.123 2456 Q HA -0.151 3.983 4.340 -0.343 0.000 0.199 2456 Q C 1.947 178.155 176.000 0.346 0.000 0.966 2456 Q CA 0.788 56.767 55.803 0.293 0.000 0.845 2456 Q CB -0.121 28.779 28.738 0.271 0.000 0.907 2456 Q HN 0.370 nan 8.270 nan 0.000 0.439 2457 Y N 0.954 121.370 120.300 0.193 0.000 2.200 2457 Y HA -0.198 4.145 4.550 -0.346 0.000 0.290 2457 Y C 1.857 177.912 175.900 0.257 0.000 1.137 2457 Y CA 1.329 59.549 58.100 0.200 0.000 1.163 2457 Y CB -0.002 38.550 38.460 0.154 0.000 0.988 2457 Y HN 0.015 nan 8.280 nan 0.000 0.518 2458 I N -1.013 119.766 120.570 0.348 0.000 2.286 2458 I HA -0.309 3.655 4.170 -0.343 0.000 0.248 2458 I C 2.147 178.387 176.117 0.205 0.000 1.115 2458 I CA 1.333 62.782 61.300 0.247 0.000 1.392 2458 I CB -0.479 37.633 38.000 0.188 0.000 1.065 2458 I HN 0.237 nan 8.210 nan 0.000 0.418 2459 F N 1.214 121.206 119.950 0.070 0.000 2.161 2459 F HA -0.306 4.014 4.527 -0.345 0.000 0.300 2459 F C 2.544 178.327 175.800 -0.028 0.000 1.089 2459 F CA 1.392 59.392 58.000 0.001 0.000 1.282 2459 F CB -0.495 38.483 39.000 -0.035 0.000 1.010 2459 F HN 0.124 nan 8.300 nan 0.000 0.485 2460 C N -0.516 118.756 119.300 -0.046 0.000 2.413 2460 C HA -0.215 4.039 4.460 -0.343 0.000 0.276 2460 C C 2.545 177.341 174.990 -0.323 0.000 1.248 2460 C CA 1.112 59.985 59.018 -0.242 0.000 1.742 2460 C CB -1.662 25.922 27.740 -0.260 0.000 2.017 2460 C HN 0.538 nan 8.230 nan 0.000 0.481 2461 Y N 1.144 121.300 120.300 -0.240 0.000 2.163 2461 Y HA -0.195 4.149 4.550 -0.343 0.000 0.288 2461 Y C 2.733 178.536 175.900 -0.162 0.000 1.136 2461 Y CA 1.730 59.738 58.100 -0.153 0.000 1.147 2461 Y CB -0.610 37.804 38.460 -0.075 0.000 0.987 2461 Y HN 0.432 nan 8.280 nan 0.000 0.509 2462 Q N -1.055 118.723 119.800 -0.037 0.000 2.084 2462 Q HA -0.184 3.950 4.340 -0.343 0.000 0.202 2462 Q C 2.389 178.264 176.000 -0.209 0.000 0.978 2462 Q CA 1.756 57.500 55.803 -0.099 0.000 0.844 2462 Q CB -0.559 28.119 28.738 -0.099 0.000 0.898 2462 Q HN 0.361 nan 8.270 nan 0.000 0.426 2463 V N 0.782 120.398 119.914 -0.497 0.000 2.667 2463 V HA -0.165 3.749 4.120 -0.343 0.000 0.252 2463 V C 1.844 177.808 176.094 -0.215 0.000 1.065 2463 V CA 0.910 62.951 62.300 -0.431 0.000 1.083 2463 V CB -0.170 31.142 31.823 -0.850 0.000 0.692 2463 V HN 0.326 nan 8.190 nan 0.000 0.468 2464 I N -0.421 119.992 120.570 -0.262 0.000 2.286 2464 I HA -0.121 3.843 4.170 -0.343 0.000 0.245 2464 I C 2.369 178.409 176.117 -0.127 0.000 1.104 2464 I CA 1.424 62.573 61.300 -0.252 0.000 1.397 2464 I CB -1.222 36.547 38.000 -0.385 0.000 1.072 2464 I HN 0.370 nan 8.210 nan 0.000 0.417 2465 L N 0.679 121.875 121.223 -0.044 0.000 2.042 2465 L HA -0.275 3.859 4.340 -0.343 0.000 0.210 2465 L C 2.601 179.488 176.870 0.029 0.000 1.076 2465 L CA 1.953 56.811 54.840 0.029 0.000 0.749 2465 L CB -1.307 40.794 42.059 0.070 0.000 0.893 2465 L HN 0.263 nan 8.230 nan 0.000 0.432 2466 Y N -0.441 119.803 120.300 -0.093 0.000 2.128 2466 Y HA -0.220 4.123 4.550 -0.344 0.000 0.284 2466 Y C 2.350 178.204 175.900 -0.077 0.000 1.154 2466 Y CA 2.138 60.189 58.100 -0.081 0.000 1.149 2466 Y CB -0.809 37.586 38.460 -0.108 0.000 0.976 2466 Y HN 0.022 nan 8.280 nan 0.000 0.505 2467 V N 0.685 120.429 119.914 -0.283 0.000 2.332 2467 V HA -0.336 3.578 4.120 -0.343 0.000 0.248 2467 V C 2.560 178.499 176.094 -0.257 0.000 1.055 2467 V CA 2.112 64.206 62.300 -0.344 0.000 1.038 2467 V CB -0.795 30.891 31.823 -0.229 0.000 0.651 2467 V HN 0.467 nan 8.190 nan 0.000 0.450 2468 L N 0.414 121.538 121.223 -0.164 0.000 2.141 2468 L HA -0.146 3.988 4.340 -0.343 0.000 0.209 2468 L C 2.789 179.614 176.870 -0.075 0.000 1.094 2468 L CA 1.967 56.754 54.840 -0.089 0.000 0.763 2468 L CB -1.071 40.983 42.059 -0.009 0.000 0.908 2468 L HN 0.602 nan 8.230 nan 0.000 0.437 2469 T N -2.836 111.662 114.554 -0.093 0.000 2.821 2469 T HA -0.159 3.985 4.350 -0.343 0.000 0.267 2469 T C 1.986 176.618 174.700 -0.112 0.000 1.046 2469 T CA 0.640 62.700 62.100 -0.066 0.000 1.139 2469 T CB -0.219 68.638 68.868 -0.018 0.000 0.871 2469 T HN 0.265 nan 8.240 nan 0.000 0.454 2470 R N 0.113 120.475 120.500 -0.230 0.000 2.092 2470 R HA 0.117 4.251 4.340 -0.343 0.000 0.231 2470 R C 2.384 178.606 176.300 -0.129 0.000 1.119 2470 R CA 0.947 56.915 56.100 -0.220 0.000 0.970 2470 R CB -0.619 29.461 30.300 -0.367 0.000 0.864 2470 R HN 0.273 nan 8.270 nan 0.000 0.440 2471 L N 1.450 122.601 121.223 -0.120 0.000 2.017 2471 L HA -0.213 3.921 4.340 -0.343 0.000 0.208 2471 L C 2.587 179.436 176.870 -0.035 0.000 1.073 2471 L CA 1.767 56.566 54.840 -0.068 0.000 0.745 2471 L CB -0.596 41.429 42.059 -0.057 0.000 0.894 2471 L HN 0.182 nan 8.230 nan 0.000 0.432 2472 Q N -1.155 118.628 119.800 -0.028 0.000 2.124 2472 Q HA -0.219 3.915 4.340 -0.343 0.000 0.202 2472 Q C 2.103 178.096 176.000 -0.013 0.000 0.977 2472 Q CA 1.714 57.512 55.803 -0.008 0.000 0.850 2472 Q CB -0.127 28.611 28.738 -0.000 0.000 0.901 2472 Q HN 0.569 nan 8.270 nan 0.000 0.429 2473 A N 0.959 123.764 122.820 -0.025 0.000 1.902 2473 A HA -0.221 3.893 4.320 -0.343 0.000 0.217 2473 A C 1.765 179.340 177.584 -0.016 0.000 1.181 2473 A CA 1.672 53.698 52.037 -0.019 0.000 0.623 2473 A CB -0.484 18.501 19.000 -0.025 0.000 0.818 2473 A HN 0.570 nan 8.150 nan 0.000 0.443 2474 E N -0.620 119.566 120.200 -0.023 0.000 2.106 2474 E HA -0.189 3.955 4.350 -0.343 0.000 0.192 2474 E C 2.019 178.614 176.600 -0.009 0.000 0.984 2474 E CA 0.997 57.387 56.400 -0.017 0.000 0.806 2474 E CB -0.173 29.513 29.700 -0.024 0.000 0.750 2474 E HN 0.816 nan 8.360 nan 0.000 0.458 2475 E N 1.554 121.750 120.200 -0.007 0.000 2.058 2475 E HA -0.204 3.940 4.350 -0.343 0.000 0.194 2475 E C 0.905 177.506 176.600 0.001 0.000 0.997 2475 E CA 0.957 57.357 56.400 0.000 0.000 0.801 2475 E CB 0.097 29.801 29.700 0.005 0.000 0.746 2475 E HN 0.232 nan 8.360 nan 0.000 0.450 2476 E N 2.078 122.278 120.200 0.000 0.000 2.322 2476 E HA -0.057 4.087 4.350 -0.343 0.000 0.195 2476 E C 0.322 176.923 176.600 0.001 0.000 1.198 2476 E CA -0.289 56.112 56.400 0.002 0.000 1.132 2476 E CB -0.249 29.452 29.700 0.002 0.000 1.213 2476 E HN 0.420 nan 8.360 nan 0.000 0.450 2477 Q N 0.000 119.800 119.800 0.000 0.000 2.315 2477 Q HA 0.000 4.134 4.340 -0.343 0.000 0.214 2477 Q CA 0.000 55.803 55.803 0.000 0.000 1.022 2477 Q CB 0.000 28.738 28.738 -0.000 0.000 1.108 2477 Q HN 0.000 nan 8.270 nan 0.000 0.481