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 3my0_1_F DATA FIRST_RESID 0 DATA SEQUENCE MXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXQRTVA DATA SEQUENCE RQVALVECVG KGRYGEVWRG LWHGESVAVK IFSSRDEQSW FRETEIYNTV DATA SEQUENCE LLRHDNILGF IASDMTXXXX XXQLWLITHY HEHGSLYDFL QRQTLEPHLA DATA SEQUENCE LRLAVSAACG LAHLHVEIFG TQGKPAIAHR DFKSRNVLVK SNLQCCIADL DATA SEQUENCE GLAVMHSQGS DYLDIGNNPR VGTKRYMAPE VLDEQIRTDC FESYKWTDIW DATA SEQUENCE AFGLVLWEIA RRTIVNGIVE DYRPPFYDVV PNDPSFEDMK KVVCVDQQTP DATA SEQUENCE TIPNRLAADP VLSGLAQMMR ECWYPNPSAR LTALRIKKTL QKIS 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 0 M HA 0.000 nan 4.480 nan 0.000 0.227 0 M C 0.000 176.293 176.300 -0.011 0.000 1.140 0 M CA 0.000 55.310 55.300 0.018 0.000 0.988 0 M CB 0.000 32.609 32.600 0.015 0.000 1.302 196 R N 0.991 121.456 120.500 -0.058 0.000 2.293 196 R HA -0.023 4.317 4.340 0.000 0.000 0.219 196 R C 1.702 177.951 176.300 -0.084 0.000 1.091 196 R CA 1.889 57.947 56.100 -0.071 0.000 1.004 196 R CB -1.457 28.812 30.300 -0.051 0.000 0.865 196 R HN 0.291 nan 8.270 nan 0.000 0.469 197 T N 0.005 114.523 114.554 -0.060 0.000 2.867 197 T HA -0.083 4.267 4.350 0.000 0.000 0.268 197 T C 2.066 176.708 174.700 -0.096 0.000 1.057 197 T CA 1.367 63.451 62.100 -0.026 0.000 1.136 197 T CB -0.092 68.804 68.868 0.047 0.000 0.874 197 T HN 0.248 nan 8.240 nan 0.000 0.466 198 V N 1.719 121.477 119.914 -0.261 0.000 2.307 198 V HA -0.103 4.017 4.120 0.000 0.000 0.245 198 V C 2.836 178.702 176.094 -0.380 0.000 1.045 198 V CA 1.674 63.604 62.300 -0.616 0.000 1.024 198 V CB -1.055 30.246 31.823 -0.869 0.000 0.651 198 V HN 0.517 nan 8.190 nan 0.000 0.449 199 A N -0.186 122.521 122.820 -0.187 0.000 2.216 199 A HA -0.062 4.258 4.320 0.000 0.000 0.214 199 A C 2.352 179.881 177.584 -0.092 0.000 1.160 199 A CA 1.748 53.770 52.037 -0.025 0.000 0.725 199 A CB -0.562 18.404 19.000 -0.056 0.000 0.784 199 A HN 0.539 nan 8.150 nan 0.000 0.472 200 R N -1.925 118.519 120.500 -0.093 0.000 2.090 200 R HA 0.205 4.545 4.340 0.000 0.000 0.219 200 R C 2.297 178.611 176.300 0.023 0.000 1.100 200 R CA 1.696 57.763 56.100 -0.054 0.000 0.991 200 R CB -1.405 28.871 30.300 -0.040 0.000 0.893 200 R HN 0.761 nan 8.270 nan 0.000 0.443 201 Q N 0.006 119.842 119.800 0.059 0.000 2.398 201 Q HA 0.449 4.789 4.340 0.000 0.000 0.204 201 Q C 1.258 177.382 176.000 0.206 0.000 0.932 201 Q CA 0.717 56.628 55.803 0.181 0.000 0.916 201 Q CB -0.342 28.616 28.738 0.367 0.000 1.024 201 Q HN 0.426 nan 8.270 nan 0.000 0.504 202 V N 1.956 121.936 119.914 0.109 0.000 2.540 202 V HA 0.425 4.545 4.120 0.000 0.000 0.297 202 V C 0.492 176.662 176.094 0.127 0.000 1.024 202 V CA 0.110 62.485 62.300 0.125 0.000 1.105 202 V CB 0.644 32.506 31.823 0.065 0.000 0.938 202 V HN 0.637 nan 8.190 nan 0.000 0.482 203 A N 5.479 128.360 122.820 0.101 0.000 2.292 203 A HA 0.834 5.154 4.320 0.000 0.000 0.319 203 A C -0.172 177.416 177.584 0.006 0.000 1.206 203 A CA -0.389 51.681 52.037 0.054 0.000 0.835 203 A CB 1.036 20.068 19.000 0.054 0.000 1.164 203 A HN 1.479 nan 8.150 nan 0.000 0.505 204 L N 2.803 123.994 121.223 -0.053 0.000 2.276 204 L HA 0.616 4.956 4.340 0.000 0.000 0.286 204 L C 0.772 177.645 176.870 0.006 0.000 1.061 204 L CA -0.229 54.548 54.840 -0.105 0.000 0.807 204 L CB 0.089 41.899 42.059 -0.416 0.000 1.177 204 L HN 0.736 nan 8.230 nan 0.000 0.429 205 V N 1.500 121.491 119.914 0.128 0.000 2.743 205 V HA 0.475 4.595 4.120 0.000 0.000 0.237 205 V C 1.109 177.366 176.094 0.272 0.000 1.113 205 V CA 1.187 63.572 62.300 0.142 0.000 1.141 205 V CB 0.323 32.176 31.823 0.050 0.000 0.873 205 V HN 1.165 nan 8.190 nan 0.000 0.486 206 E N -1.025 119.353 120.200 0.296 0.000 2.290 206 E HA 0.493 4.843 4.350 0.000 0.000 0.274 206 E C -0.997 175.457 176.600 -0.243 0.000 0.889 206 E CA -0.198 56.253 56.400 0.085 0.000 0.760 206 E CB 1.099 30.791 29.700 -0.013 0.000 1.206 206 E HN 0.309 nan 8.360 nan 0.000 0.419 207 C N 3.578 122.251 119.300 -1.046 0.000 2.442 207 C HA 0.538 4.998 4.460 0.000 0.000 0.362 207 C C 1.474 176.080 174.990 -0.641 0.000 1.242 207 C CA 0.452 58.535 59.018 -1.559 0.000 1.741 207 C CB -1.296 25.274 27.740 -1.950 0.000 2.378 207 C HN 1.107 nan 8.230 nan 0.000 0.549 208 V N 4.206 123.882 119.914 -0.397 0.000 3.578 208 V HA 0.577 4.697 4.120 0.000 0.000 0.290 208 V C 0.740 176.774 176.094 -0.100 0.000 1.376 208 V CA 0.691 62.902 62.300 -0.149 0.000 1.083 208 V CB -0.487 31.349 31.823 0.021 0.000 0.911 208 V HN 1.071 nan 8.190 nan 0.000 0.433 209 G N -0.727 107.983 108.800 -0.150 0.000 2.732 209 G HA2 0.731 4.691 3.960 0.000 0.000 0.296 209 G HA3 0.731 4.691 3.960 0.000 0.000 0.296 209 G C -1.270 173.588 174.900 -0.071 0.000 1.448 209 G CA 0.033 45.112 45.100 -0.035 0.000 0.911 209 G HN 0.666 nan 8.290 nan 0.000 0.528 210 K N -0.696 119.657 120.400 -0.079 0.000 2.542 210 K HA 1.010 5.330 4.320 0.000 0.000 0.259 210 K C -0.007 176.384 176.600 -0.349 0.000 0.932 210 K CA 0.069 56.225 56.287 -0.218 0.000 0.820 210 K CB 1.778 34.182 32.500 -0.160 0.000 1.345 210 K HN 2.515 nan 8.250 nan 0.000 0.432 211 G N 0.060 108.480 108.800 -0.633 0.000 2.427 211 G HA2 0.380 4.340 3.960 0.000 0.000 0.306 211 G HA3 0.380 4.340 3.960 0.000 0.000 0.306 211 G C 0.306 174.880 174.900 -0.545 0.000 1.280 211 G CA 0.238 44.980 45.100 -0.597 0.000 0.837 211 G HN 0.945 nan 8.290 nan 0.000 0.482 212 R N -0.913 119.405 120.500 -0.303 0.000 2.189 212 R HA -0.031 4.309 4.340 0.000 0.000 0.218 212 R C 2.012 178.271 176.300 -0.069 0.000 1.074 212 R CA 2.017 58.044 56.100 -0.122 0.000 0.991 212 R CB -0.623 29.675 30.300 -0.003 0.000 0.883 212 R HN 0.664 nan 8.270 nan 0.000 0.457 213 Y N -0.118 120.190 120.300 0.013 0.000 2.509 213 Y HA 0.354 4.904 4.550 0.000 0.000 0.293 213 Y C 1.120 176.997 175.900 -0.038 0.000 1.133 213 Y CA -0.045 58.057 58.100 0.004 0.000 1.283 213 Y CB -0.123 38.308 38.460 -0.048 0.000 1.001 213 Y HN 0.286 nan 8.280 nan 0.000 0.555 214 G N -0.126 108.485 108.800 -0.316 0.000 2.253 214 G HA2 0.019 3.979 3.960 0.000 0.000 0.190 214 G HA3 0.019 3.979 3.960 0.000 0.000 0.190 214 G C -1.340 173.407 174.900 -0.255 0.000 1.274 214 G CA -0.378 44.635 45.100 -0.145 0.000 1.275 214 G HN 0.322 nan 8.290 nan 0.000 0.518 215 E N -1.240 118.964 120.200 0.007 0.000 2.356 215 E HA 0.577 4.927 4.350 0.000 0.000 0.275 215 E C -1.361 175.339 176.600 0.166 0.000 0.904 215 E CA -0.829 55.612 56.400 0.069 0.000 0.757 215 E CB 3.162 32.948 29.700 0.143 0.000 1.232 215 E HN 0.437 nan 8.360 nan 0.000 0.442 216 V N 1.929 121.908 119.914 0.109 0.000 2.495 216 V HA 0.434 4.554 4.120 0.000 0.000 0.298 216 V C -1.174 174.906 176.094 -0.024 0.000 1.031 216 V CA -0.689 61.661 62.300 0.082 0.000 0.871 216 V CB 0.802 32.665 31.823 0.067 0.000 0.988 216 V HN 0.594 nan 8.190 nan 0.000 0.432 217 W N 2.977 124.230 121.300 -0.078 0.000 2.689 217 W HA 0.645 5.305 4.660 0.000 0.000 0.340 217 W C 0.238 176.685 176.519 -0.120 0.000 1.060 217 W CA -0.734 56.550 57.345 -0.102 0.000 1.218 217 W CB 1.429 30.782 29.460 -0.179 0.000 1.410 217 W HN 0.354 nan 8.180 nan 0.000 0.528 218 R N 1.590 122.114 120.500 0.040 0.000 2.265 218 R HA 0.603 4.943 4.340 0.000 0.000 0.314 218 R C 0.106 176.330 176.300 -0.127 0.000 1.053 218 R CA -0.083 55.844 56.100 -0.287 0.000 0.931 218 R CB 0.257 30.249 30.300 -0.513 0.000 1.024 218 R HN 0.733 nan 8.270 nan 0.000 0.457 219 G N 3.074 111.774 108.800 -0.166 0.000 2.533 219 G HA2 0.487 4.447 3.960 0.000 0.000 0.304 219 G HA3 0.487 4.447 3.960 0.000 0.000 0.304 219 G C -1.859 173.011 174.900 -0.050 0.000 1.263 219 G CA -0.662 44.396 45.100 -0.069 0.000 0.964 219 G HN 0.424 nan 8.290 nan 0.000 0.479 220 L N 0.733 121.965 121.223 0.014 0.000 2.313 220 L HA 0.739 5.079 4.340 0.000 0.000 0.283 220 L C -1.509 175.453 176.870 0.154 0.000 1.013 220 L CA -0.858 54.013 54.840 0.052 0.000 0.816 220 L CB 1.461 43.539 42.059 0.031 0.000 1.236 220 L HN 0.602 nan 8.230 nan 0.000 0.419 221 W N 5.567 126.823 121.300 -0.072 0.000 2.587 221 W HA 0.379 5.039 4.660 0.000 0.000 0.324 221 W C -0.135 176.330 176.519 -0.089 0.000 1.008 221 W CA -0.700 56.557 57.345 -0.148 0.000 1.265 221 W CB 0.181 29.516 29.460 -0.208 0.000 1.328 221 W HN 0.740 nan 8.180 nan 0.000 0.432 222 H N 4.619 123.385 119.070 -0.508 0.000 2.506 222 H HA -0.181 4.376 4.556 0.000 0.000 0.323 222 H C 1.502 176.651 175.328 -0.299 0.000 1.076 222 H CA 1.149 56.889 56.048 -0.512 0.000 1.108 222 H CB -0.941 28.291 29.762 -0.884 0.000 1.569 222 H HN 1.087 nan 8.280 nan 0.000 0.399 223 G N -0.263 108.505 108.800 -0.053 0.000 2.363 223 G HA2 -0.342 3.618 3.960 0.000 0.000 0.238 223 G HA3 -0.342 3.618 3.960 0.000 0.000 0.238 223 G C 0.265 175.150 174.900 -0.025 0.000 1.062 223 G CA 0.619 45.696 45.100 -0.039 0.000 0.629 223 G HN 0.590 nan 8.290 nan 0.000 0.514 224 E N 0.766 120.951 120.200 -0.025 0.000 2.314 224 E HA 0.613 4.963 4.350 0.000 0.000 0.262 224 E C -0.214 176.410 176.600 0.039 0.000 1.093 224 E CA -0.156 56.250 56.400 0.010 0.000 0.908 224 E CB 1.158 30.873 29.700 0.025 0.000 1.091 224 E HN 0.159 nan 8.360 nan 0.000 0.425 225 S N 0.795 116.514 115.700 0.032 0.000 2.525 225 S HA 0.409 4.879 4.470 0.000 0.000 0.278 225 S C -0.489 174.143 174.600 0.053 0.000 1.234 225 S CA -0.820 57.377 58.200 -0.005 0.000 1.058 225 S CB 0.888 64.071 63.200 -0.028 0.000 0.983 225 S HN 0.385 nan 8.310 nan 0.000 0.495 226 V N 0.122 120.041 119.914 0.008 0.000 2.962 226 V HA 0.995 5.115 4.120 0.000 0.000 0.313 226 V C -0.304 175.802 176.094 0.020 0.000 1.099 226 V CA -1.376 60.960 62.300 0.061 0.000 0.971 226 V CB 1.412 33.265 31.823 0.050 0.000 1.028 226 V HN 0.884 nan 8.190 nan 0.000 0.430 227 A N 2.556 125.446 122.820 0.117 0.000 2.290 227 A HA 0.799 5.119 4.320 0.000 0.000 0.310 227 A C -0.411 177.190 177.584 0.029 0.000 1.202 227 A CA -0.565 51.558 52.037 0.142 0.000 0.837 227 A CB 1.069 20.196 19.000 0.211 0.000 1.139 227 A HN 1.452 nan 8.150 nan 0.000 0.509 228 V N 3.650 123.557 119.914 -0.012 0.000 2.326 228 V HA 0.273 4.393 4.120 0.000 0.000 0.281 228 V C 0.198 176.234 176.094 -0.098 0.000 1.015 228 V CA -0.588 61.633 62.300 -0.131 0.000 0.823 228 V CB 1.075 32.667 31.823 -0.385 0.000 1.009 228 V HN 0.899 nan 8.190 nan 0.000 0.436 229 K N 5.695 126.081 120.400 -0.023 0.000 2.284 229 K HA 0.501 4.821 4.320 0.000 0.000 0.287 229 K C -0.636 175.960 176.600 -0.007 0.000 1.081 229 K CA -0.399 55.870 56.287 -0.028 0.000 0.910 229 K CB 0.475 32.930 32.500 -0.075 0.000 1.088 229 K HN 0.633 nan 8.250 nan 0.000 0.478 230 I N 5.773 126.311 120.570 -0.053 0.000 2.312 230 I HA 0.168 4.338 4.170 0.000 0.000 0.291 230 I C -0.151 176.051 176.117 0.141 0.000 1.031 230 I CA -0.616 60.712 61.300 0.045 0.000 1.293 230 I CB 0.435 38.412 38.000 -0.038 0.000 1.403 230 I HN 0.439 nan 8.210 nan 0.000 0.484 231 F N 3.975 124.025 119.950 0.166 0.000 2.389 231 F HA 0.220 4.747 4.527 0.000 0.000 0.337 231 F C 1.240 177.107 175.800 0.111 0.000 1.112 231 F CA -0.205 57.901 58.000 0.176 0.000 1.192 231 F CB 1.186 40.303 39.000 0.196 0.000 1.185 231 F HN 0.484 nan 8.300 nan 0.000 0.552 232 S N 0.464 116.320 115.700 0.260 0.000 2.632 232 S HA 0.143 4.613 4.470 0.000 0.000 0.267 232 S C 0.896 175.591 174.600 0.159 0.000 1.276 232 S CA -0.648 57.645 58.200 0.154 0.000 0.998 232 S CB 1.372 64.625 63.200 0.089 0.000 0.953 232 S HN 0.609 nan 8.310 nan 0.000 0.547 233 S N 0.842 116.598 115.700 0.094 0.000 2.399 233 S HA -0.080 4.390 4.470 0.000 0.000 0.231 233 S C 1.766 176.413 174.600 0.077 0.000 1.022 233 S CA 1.098 59.337 58.200 0.066 0.000 0.983 233 S CB -0.374 62.849 63.200 0.037 0.000 0.803 233 S HN 0.689 nan 8.310 nan 0.000 0.480 234 R N 0.601 121.152 120.500 0.085 0.000 2.316 234 R HA 0.058 4.398 4.340 0.000 0.000 0.202 234 R C 0.520 176.896 176.300 0.127 0.000 1.029 234 R CA 0.815 56.967 56.100 0.087 0.000 1.018 234 R CB 0.082 30.425 30.300 0.071 0.000 0.888 234 R HN 0.141 nan 8.270 nan 0.000 0.471 235 D N -0.715 119.797 120.400 0.186 0.000 2.599 235 D HA 0.049 4.689 4.640 0.000 0.000 0.249 235 D C 0.447 176.926 176.300 0.299 0.000 1.313 235 D CA -0.015 54.147 54.000 0.270 0.000 0.815 235 D CB 0.384 41.407 40.800 0.372 0.000 1.077 235 D HN 0.038 nan 8.370 nan 0.000 0.492 236 E N -0.132 120.181 120.200 0.188 0.000 2.130 236 E HA -0.217 4.133 4.350 0.000 0.000 0.196 236 E C 1.542 178.260 176.600 0.197 0.000 0.998 236 E CA 0.997 57.478 56.400 0.136 0.000 0.806 236 E CB 0.189 29.923 29.700 0.056 0.000 0.738 236 E HN 0.482 nan 8.360 nan 0.000 0.459 237 Q N -0.050 119.851 119.800 0.168 0.000 2.224 237 Q HA -0.065 4.275 4.340 0.000 0.000 0.203 237 Q C 2.231 178.346 176.000 0.193 0.000 0.970 237 Q CA 0.836 56.746 55.803 0.178 0.000 0.865 237 Q CB 0.098 28.905 28.738 0.114 0.000 0.922 237 Q HN 0.114 nan 8.270 nan 0.000 0.445 238 S N 0.469 116.281 115.700 0.186 0.000 2.383 238 S HA -0.146 4.324 4.470 0.000 0.000 0.227 238 S C 1.229 175.851 174.600 0.037 0.000 1.026 238 S CA 0.821 59.130 58.200 0.182 0.000 0.981 238 S CB -0.299 63.119 63.200 0.362 0.000 0.818 238 S HN 0.571 nan 8.310 nan 0.000 0.472 239 W N 1.415 122.413 121.300 -0.504 0.000 2.363 239 W HA -0.150 4.510 4.660 0.000 0.000 0.296 239 W C 1.755 178.127 176.519 -0.244 0.000 1.212 239 W CA 1.043 57.878 57.345 -0.850 0.000 1.260 239 W CB -0.463 28.287 29.460 -1.183 0.000 1.131 239 W HN 0.268 nan 8.180 nan 0.000 0.530 240 F N 1.627 121.488 119.950 -0.149 0.000 2.113 240 F HA -0.111 4.416 4.527 0.000 0.000 0.297 240 F C 2.630 178.228 175.800 -0.337 0.000 1.103 240 F CA 2.395 60.212 58.000 -0.305 0.000 1.248 240 F CB -0.896 38.111 39.000 0.011 0.000 0.999 240 F HN -0.197 nan 8.300 nan 0.000 0.475 241 R N 0.735 121.142 120.500 -0.155 0.000 2.081 241 R HA -0.177 4.163 4.340 0.000 0.000 0.235 241 R C 2.263 178.354 176.300 -0.348 0.000 1.131 241 R CA 2.053 58.007 56.100 -0.243 0.000 0.960 241 R CB -0.708 29.540 30.300 -0.087 0.000 0.856 241 R HN 0.476 nan 8.270 nan 0.000 0.436 242 E N -1.426 118.597 120.200 -0.295 0.000 2.106 242 E HA -0.117 4.233 4.350 0.000 0.000 0.192 242 E C 1.347 177.740 176.600 -0.346 0.000 0.984 242 E CA 1.621 57.864 56.400 -0.260 0.000 0.806 242 E CB 0.091 29.778 29.700 -0.022 0.000 0.750 242 E HN 0.361 nan 8.360 nan 0.000 0.458 243 T N 0.246 114.468 114.554 -0.553 0.000 2.777 243 T HA -0.169 4.181 4.350 0.000 0.000 0.266 243 T C 1.990 176.347 174.700 -0.572 0.000 1.040 243 T CA 1.637 63.364 62.100 -0.621 0.000 1.141 243 T CB -0.435 67.828 68.868 -1.007 0.000 0.868 243 T HN 0.449 nan 8.240 nan 0.000 0.444 244 E N 1.434 121.238 120.200 -0.659 0.000 2.031 244 E HA -0.099 4.251 4.350 0.000 0.000 0.193 244 E C 2.057 178.404 176.600 -0.422 0.000 0.994 244 E CA 1.440 57.503 56.400 -0.560 0.000 0.800 244 E CB -1.014 28.304 29.700 -0.638 0.000 0.752 244 E HN 0.626 nan 8.360 nan 0.000 0.447 245 I N -0.848 119.465 120.570 -0.428 0.000 2.163 245 I HA -0.233 3.937 4.170 0.000 0.000 0.243 245 I C 2.673 178.543 176.117 -0.411 0.000 1.085 245 I CA 1.590 62.647 61.300 -0.405 0.000 1.347 245 I CB -0.267 37.457 38.000 -0.460 0.000 1.044 245 I HN 0.302 nan 8.210 nan 0.000 0.408 246 Y N 0.707 120.700 120.300 -0.511 0.000 2.293 246 Y HA -0.150 4.400 4.550 0.000 0.000 0.291 246 Y C 2.395 177.910 175.900 -0.643 0.000 1.137 246 Y CA 1.082 58.754 58.100 -0.714 0.000 1.202 246 Y CB -0.528 37.086 38.460 -1.410 0.000 0.990 246 Y HN 0.216 nan 8.280 nan 0.000 0.537 247 N N -1.412 117.059 118.700 -0.382 0.000 2.446 247 N HA -0.056 4.684 4.740 0.000 0.000 0.179 247 N C 1.271 176.691 175.510 -0.151 0.000 1.054 247 N CA 1.136 54.057 53.050 -0.216 0.000 0.905 247 N CB 0.181 38.555 38.487 -0.188 0.000 0.973 247 N HN 0.273 nan 8.380 nan 0.000 0.448 248 T N -0.645 113.799 114.554 -0.184 0.000 2.999 248 T HA 0.213 4.563 4.350 0.000 0.000 0.247 248 T C 0.441 175.062 174.700 -0.133 0.000 1.012 248 T CA 0.068 62.077 62.100 -0.153 0.000 1.048 248 T CB 1.118 69.874 68.868 -0.187 0.000 1.020 248 T HN -0.217 nan 8.240 nan 0.000 0.478 249 V N 2.740 122.565 119.914 -0.148 0.000 2.417 249 V HA 0.618 4.738 4.120 0.000 0.000 0.291 249 V C 0.287 176.341 176.094 -0.068 0.000 1.024 249 V CA -1.171 61.053 62.300 -0.127 0.000 0.861 249 V CB 0.904 32.624 31.823 -0.172 0.000 0.985 249 V HN 0.429 nan 8.190 nan 0.000 0.436 250 L N 4.853 126.054 121.223 -0.038 0.000 2.536 250 L HA 0.663 5.003 4.340 0.000 0.000 0.282 250 L C 0.994 177.901 176.870 0.062 0.000 1.147 250 L CA 0.994 55.845 54.840 0.019 0.000 0.936 250 L CB -0.728 41.342 42.059 0.019 0.000 1.279 250 L HN 1.020 nan 8.230 nan 0.000 0.461 251 L N 3.325 124.613 121.223 0.108 0.000 2.781 251 L HA 0.372 4.712 4.340 0.000 0.000 0.245 251 L C 1.660 178.704 176.870 0.290 0.000 1.118 251 L CA 0.343 55.299 54.840 0.193 0.000 0.918 251 L CB -0.707 41.414 42.059 0.105 0.000 1.246 251 L HN 1.003 nan 8.230 nan 0.000 0.526 252 R N 1.029 121.656 120.500 0.212 0.000 2.523 252 R HA 0.065 4.405 4.340 0.000 0.000 0.281 252 R C -0.699 175.696 176.300 0.157 0.000 0.969 252 R CA 0.799 57.007 56.100 0.181 0.000 1.093 252 R CB -0.351 30.029 30.300 0.133 0.000 0.917 252 R HN 0.667 nan 8.270 nan 0.000 0.408 253 H N 2.046 121.117 119.070 0.002 0.000 3.140 253 H HA 0.041 4.597 4.556 0.000 0.000 0.336 253 H C -0.505 174.805 175.328 -0.029 0.000 1.142 253 H CA -0.547 55.421 56.048 -0.133 0.000 1.308 253 H CB 1.737 31.217 29.762 -0.469 0.000 1.970 253 H HN 0.690 nan 8.280 nan 0.000 0.521 254 D N 2.238 122.490 120.400 -0.247 0.000 2.203 254 D HA -0.154 4.486 4.640 0.000 0.000 0.199 254 D C 0.515 176.898 176.300 0.139 0.000 0.997 254 D CA 1.574 55.547 54.000 -0.045 0.000 0.863 254 D CB 0.154 40.865 40.800 -0.148 0.000 0.928 254 D HN 0.539 nan 8.370 nan 0.000 0.458 255 N N -0.853 118.083 118.700 0.393 0.000 2.320 255 N HA 0.275 5.015 4.740 0.000 0.000 0.237 255 N C -0.506 175.121 175.510 0.195 0.000 1.129 255 N CA -0.061 53.139 53.050 0.250 0.000 0.854 255 N CB 1.031 39.653 38.487 0.224 0.000 1.083 255 N HN 0.107 nan 8.380 nan 0.000 0.504 256 I N 0.838 121.543 120.570 0.224 0.000 2.619 256 I HA 0.196 4.366 4.170 0.000 0.000 0.292 256 I C -0.850 175.413 176.117 0.244 0.000 1.100 256 I CA -1.203 60.230 61.300 0.222 0.000 1.043 256 I CB 2.261 40.402 38.000 0.234 0.000 1.239 256 I HN -0.068 nan 8.210 nan 0.000 0.420 257 L N 5.555 126.932 121.223 0.258 0.000 2.559 257 L HA 0.272 4.612 4.340 0.000 0.000 0.274 257 L C 0.717 177.697 176.870 0.182 0.000 1.205 257 L CA 0.544 55.538 54.840 0.256 0.000 0.907 257 L CB 0.350 42.557 42.059 0.247 0.000 1.153 257 L HN 0.682 nan 8.230 nan 0.000 0.490 258 G N 4.959 113.784 108.800 0.041 0.000 2.378 258 G HA2 0.181 4.141 3.960 0.000 0.000 0.255 258 G HA3 0.181 4.141 3.960 0.000 0.000 0.255 258 G C -0.774 173.862 174.900 -0.440 0.000 1.270 258 G CA -0.454 44.465 45.100 -0.303 0.000 0.876 258 G HN 0.662 nan 8.290 nan 0.000 0.521 259 F N 2.815 122.436 119.950 -0.548 0.000 2.394 259 F HA 0.559 5.086 4.527 0.000 0.000 0.340 259 F C 0.818 176.376 175.800 -0.403 0.000 1.105 259 F CA -0.879 56.730 58.000 -0.652 0.000 1.124 259 F CB 1.110 39.556 39.000 -0.924 0.000 1.145 259 F HN 0.309 nan 8.300 nan 0.000 0.505 260 I N 3.448 123.399 120.570 -1.031 0.000 3.366 260 I HA 0.424 4.594 4.170 0.000 0.000 0.267 260 I C 0.330 175.803 176.117 -1.074 0.000 1.149 260 I CA 0.085 60.910 61.300 -0.791 0.000 1.436 260 I CB 0.399 38.116 38.000 -0.471 0.000 1.379 260 I HN 0.648 nan 8.210 nan 0.000 0.460 261 A N -0.214 121.848 122.820 -1.264 0.000 2.586 261 A HA 0.709 5.029 4.320 0.000 0.000 0.290 261 A C -1.188 176.188 177.584 -0.346 0.000 1.086 261 A CA -0.331 51.248 52.037 -0.762 0.000 0.665 261 A CB 1.745 20.506 19.000 -0.398 0.000 1.279 261 A HN -0.051 nan 8.150 nan 0.000 0.423 262 S N -0.284 115.455 115.700 0.065 0.000 2.571 262 S HA 0.670 5.141 4.470 0.000 0.000 0.284 262 S C -1.653 173.133 174.600 0.311 0.000 1.128 262 S CA -0.232 58.156 58.200 0.314 0.000 0.970 262 S CB 1.453 64.839 63.200 0.310 0.000 1.039 262 S HN 1.065 nan 8.310 nan 0.000 0.485 263 D N 2.566 123.215 120.400 0.415 0.000 2.570 263 D HA 0.569 5.209 4.640 0.000 0.000 0.244 263 D C -0.915 175.461 176.300 0.127 0.000 1.178 263 D CA -0.597 53.529 54.000 0.211 0.000 0.881 263 D CB 1.704 42.501 40.800 -0.005 0.000 1.453 263 D HN 0.629 nan 8.370 nan 0.000 0.447 264 M N 1.920 121.498 119.600 -0.036 0.000 2.253 264 M HA 0.555 5.035 4.480 0.000 0.000 0.314 264 M C -1.330 174.817 176.300 -0.256 0.000 1.019 264 M CA -0.193 54.985 55.300 -0.204 0.000 0.932 264 M CB 1.831 34.331 32.600 -0.167 0.000 1.606 264 M HN 0.337 nan 8.290 nan 0.000 0.430 273 L N 0.840 122.006 121.223 -0.095 0.000 2.349 273 L HA 0.842 5.182 4.340 0.000 0.000 0.278 273 L C -1.220 175.794 176.870 0.239 0.000 0.996 273 L CA -0.819 53.777 54.840 -0.406 0.000 0.825 273 L CB 1.470 42.821 42.059 -1.180 0.000 1.243 273 L HN 0.827 nan 8.230 nan 0.000 0.412 274 W N 3.422 124.755 121.300 0.056 0.000 2.606 274 W HA 0.728 5.388 4.660 0.000 0.000 0.332 274 W C -0.110 176.733 176.519 0.541 0.000 1.052 274 W CA -0.750 56.773 57.345 0.297 0.000 1.223 274 W CB 1.715 31.260 29.460 0.141 0.000 1.383 274 W HN 0.208 nan 8.180 nan 0.000 0.524 275 L N 4.484 126.127 121.223 0.699 0.000 2.372 275 L HA 0.770 5.110 4.340 0.000 0.000 0.274 275 L C -0.881 176.136 176.870 0.244 0.000 0.988 275 L CA -1.024 54.129 54.840 0.523 0.000 0.833 275 L CB 0.709 43.165 42.059 0.662 0.000 1.236 275 L HN 0.446 nan 8.230 nan 0.000 0.410 276 I N 3.021 123.631 120.570 0.067 0.000 2.377 276 I HA 0.796 4.966 4.170 0.000 0.000 0.293 276 I C 0.762 176.758 176.117 -0.203 0.000 0.987 276 I CA -0.376 60.880 61.300 -0.073 0.000 1.185 276 I CB 2.151 40.072 38.000 -0.131 0.000 1.341 276 I HN 0.860 nan 8.210 nan 0.000 0.455 277 T N 0.267 114.747 114.554 -0.123 0.000 2.778 277 T HA 0.457 4.807 4.350 0.000 0.000 0.293 277 T C -0.289 174.382 174.700 -0.048 0.000 1.144 277 T CA -0.927 61.076 62.100 -0.161 0.000 1.010 277 T CB 0.735 69.556 68.868 -0.078 0.000 1.325 277 T HN 0.495 nan 8.240 nan 0.000 0.515 278 H N -0.559 118.465 119.070 -0.077 0.000 2.929 278 H HA 0.251 4.807 4.556 0.000 0.000 0.358 278 H C -1.035 174.181 175.328 -0.186 0.000 1.111 278 H CA -0.113 55.857 56.048 -0.130 0.000 1.409 278 H CB 0.288 29.943 29.762 -0.179 0.000 1.373 278 H HN 0.539 nan 8.280 nan 0.000 0.610 279 Y N 1.439 121.611 120.300 -0.213 0.000 2.360 279 Y HA 0.234 4.785 4.550 0.000 0.000 0.337 279 Y C -0.839 174.801 175.900 -0.433 0.000 1.039 279 Y CA -0.905 57.056 58.100 -0.232 0.000 1.109 279 Y CB 0.835 39.240 38.460 -0.092 0.000 1.201 279 Y HN 0.628 nan 8.280 nan 0.000 0.458 280 H N 4.271 122.977 119.070 -0.605 0.000 2.727 280 H HA 0.251 4.807 4.556 0.000 0.000 0.330 280 H C 0.498 175.374 175.328 -0.755 0.000 0.986 280 H CA -0.584 55.163 56.048 -0.502 0.000 1.251 280 H CB 1.640 31.253 29.762 -0.248 0.000 1.493 280 H HN 0.794 nan 8.280 nan 0.000 0.515 281 E N 1.530 121.459 120.200 -0.452 0.000 2.085 281 E HA -0.214 4.136 4.350 0.000 0.000 0.194 281 E C 0.784 177.313 176.600 -0.117 0.000 0.994 281 E CA 1.162 57.395 56.400 -0.279 0.000 0.801 281 E CB 0.058 29.680 29.700 -0.130 0.000 0.743 281 E HN 0.731 nan 8.360 nan 0.000 0.453 282 H N -0.292 118.742 119.070 -0.059 0.000 2.518 282 H HA -0.008 4.548 4.556 0.000 0.000 0.289 282 H C 1.254 176.585 175.328 0.004 0.000 1.051 282 H CA 0.014 56.072 56.048 0.016 0.000 1.280 282 H CB 0.129 29.884 29.762 -0.011 0.000 1.380 282 H HN 0.276 nan 8.280 nan 0.000 0.566 283 G N 0.179 108.999 108.800 0.032 0.000 2.553 283 G HA2 -0.322 3.638 3.960 0.000 0.000 0.242 283 G HA3 -0.322 3.638 3.960 0.000 0.000 0.242 283 G C 0.103 175.012 174.900 0.015 0.000 1.277 283 G CA -0.137 44.966 45.100 0.005 0.000 0.910 283 G HN 0.537 nan 8.290 nan 0.000 0.576 284 S N -0.608 115.109 115.700 0.028 0.000 2.624 284 S HA 0.508 4.978 4.470 0.000 0.000 0.263 284 S C 1.491 176.120 174.600 0.048 0.000 1.287 284 S CA 0.295 58.505 58.200 0.017 0.000 0.990 284 S CB 1.563 64.776 63.200 0.021 0.000 0.950 284 S HN 1.759 nan 8.310 nan 0.000 0.561 285 L N 0.636 121.869 121.223 0.016 0.000 2.079 285 L HA -0.031 4.309 4.340 0.000 0.000 0.210 285 L C 2.122 179.034 176.870 0.070 0.000 1.081 285 L CA 1.775 56.640 54.840 0.042 0.000 0.752 285 L CB -1.343 40.714 42.059 -0.002 0.000 0.896 285 L HN 0.868 nan 8.230 nan 0.000 0.433 286 Y N 0.533 120.795 120.300 -0.063 0.000 2.053 286 Y HA -0.331 4.219 4.550 0.000 0.000 0.277 286 Y C 2.363 178.123 175.900 -0.232 0.000 1.159 286 Y CA 2.328 60.334 58.100 -0.157 0.000 1.125 286 Y CB -0.360 38.042 38.460 -0.096 0.000 0.969 286 Y HN 0.328 nan 8.280 nan 0.000 0.492 287 D N -0.436 119.997 120.400 0.055 0.000 2.104 287 D HA -0.232 4.408 4.640 0.000 0.000 0.194 287 D C 2.062 178.316 176.300 -0.077 0.000 0.994 287 D CA 1.709 55.702 54.000 -0.012 0.000 0.830 287 D CB -0.767 40.084 40.800 0.085 0.000 0.959 287 D HN 0.403 nan 8.370 nan 0.000 0.452 288 F N 1.528 121.380 119.950 -0.165 0.000 2.102 288 F HA -0.096 4.431 4.527 0.000 0.000 0.298 288 F C 2.281 177.947 175.800 -0.223 0.000 1.105 288 F CA 1.039 58.926 58.000 -0.188 0.000 1.239 288 F CB -0.342 38.555 39.000 -0.172 0.000 0.991 288 F HN -0.139 nan 8.300 nan 0.000 0.474 289 L N -0.241 120.888 121.223 -0.156 0.000 2.362 289 L HA -0.191 4.149 4.340 0.000 0.000 0.219 289 L C 2.320 178.956 176.870 -0.390 0.000 1.134 289 L CA 0.923 55.614 54.840 -0.250 0.000 0.807 289 L CB -0.677 41.323 42.059 -0.098 0.000 0.927 289 L HN 0.260 nan 8.230 nan 0.000 0.447 290 Q N 0.523 119.996 119.800 -0.545 0.000 2.020 290 Q HA -0.210 4.130 4.340 0.000 0.000 0.202 290 Q C 2.598 178.420 176.000 -0.296 0.000 0.982 290 Q CA 2.862 58.373 55.803 -0.486 0.000 0.838 290 Q CB -0.050 28.402 28.738 -0.478 0.000 0.899 290 Q HN 0.416 nan 8.270 nan 0.000 0.423 291 R N -0.303 120.015 120.500 -0.304 0.000 2.156 291 R HA 0.170 4.510 4.340 0.000 0.000 0.207 291 R C 0.761 176.872 176.300 -0.314 0.000 1.040 291 R CA 0.740 56.685 56.100 -0.258 0.000 1.013 291 R CB -0.331 29.837 30.300 -0.220 0.000 0.931 291 R HN 0.249 nan 8.270 nan 0.000 0.465 292 Q N 0.916 120.425 119.800 -0.485 0.000 2.274 292 Q HA 0.344 4.684 4.340 0.000 0.000 0.260 292 Q C -0.705 175.052 176.000 -0.406 0.000 0.974 292 Q CA -0.202 55.272 55.803 -0.549 0.000 0.876 292 Q CB 1.983 30.080 28.738 -1.069 0.000 1.297 292 Q HN 0.552 nan 8.270 nan 0.000 0.446 293 T N -0.956 113.430 114.554 -0.280 0.000 2.929 293 T HA 0.719 5.069 4.350 0.000 0.000 0.284 293 T C -0.018 174.588 174.700 -0.157 0.000 1.014 293 T CA -0.771 61.216 62.100 -0.189 0.000 1.051 293 T CB 0.692 69.478 68.868 -0.137 0.000 1.028 293 T HN 0.378 nan 8.240 nan 0.000 0.485 294 L N 1.432 122.590 121.223 -0.108 0.000 2.305 294 L HA 0.670 5.010 4.340 0.000 0.000 0.284 294 L C 0.856 177.699 176.870 -0.046 0.000 1.013 294 L CA -1.152 53.650 54.840 -0.063 0.000 0.819 294 L CB 1.002 43.036 42.059 -0.042 0.000 1.227 294 L HN 1.012 nan 8.230 nan 0.000 0.417 295 E N 3.915 124.101 120.200 -0.023 0.000 2.398 295 E HA 0.137 4.487 4.350 0.000 0.000 0.263 295 E C -2.084 174.519 176.600 0.004 0.000 1.046 295 E CA -1.423 54.978 56.400 0.001 0.000 0.908 295 E CB -0.195 29.528 29.700 0.038 0.000 0.963 295 E HN 0.516 nan 8.360 nan 0.000 0.431 296 P HA -0.258 nan 4.420 nan 0.000 0.216 296 P C 1.351 178.678 177.300 0.044 0.000 1.154 296 P CA 1.903 65.013 63.100 0.017 0.000 0.865 296 P CB 0.056 31.770 31.700 0.023 0.000 0.789 297 H N -0.432 118.636 119.070 -0.003 0.000 2.352 297 H HA -0.151 4.406 4.556 0.000 0.000 0.299 297 H C 1.731 177.065 175.328 0.009 0.000 1.097 297 H CA 1.560 57.610 56.048 0.003 0.000 1.311 297 H CB -1.054 28.711 29.762 0.004 0.000 1.377 297 H HN -0.042 nan 8.280 nan 0.000 0.504 298 L N 0.375 121.413 121.223 -0.308 0.000 2.109 298 L HA 0.131 4.471 4.340 0.000 0.000 0.207 298 L C 2.494 179.266 176.870 -0.164 0.000 1.086 298 L CA 1.845 56.489 54.840 -0.327 0.000 0.760 298 L CB -1.438 40.546 42.059 -0.125 0.000 0.910 298 L HN 0.403 nan 8.230 nan 0.000 0.437 299 A N -0.375 122.393 122.820 -0.087 0.000 1.908 299 A HA -0.249 4.071 4.320 0.000 0.000 0.218 299 A C 2.364 179.918 177.584 -0.050 0.000 1.181 299 A CA 2.215 54.221 52.037 -0.052 0.000 0.627 299 A CB -1.034 17.940 19.000 -0.043 0.000 0.818 299 A HN 0.519 nan 8.150 nan 0.000 0.445 300 L N -0.987 120.207 121.223 -0.048 0.000 2.093 300 L HA -0.109 4.231 4.340 0.000 0.000 0.208 300 L C 2.655 179.509 176.870 -0.027 0.000 1.085 300 L CA 1.709 56.540 54.840 -0.015 0.000 0.755 300 L CB -0.260 41.813 42.059 0.023 0.000 0.904 300 L HN 0.474 nan 8.230 nan 0.000 0.435 301 R N -0.291 120.148 120.500 -0.102 0.000 2.073 301 R HA -0.160 4.180 4.340 0.000 0.000 0.234 301 R C 2.223 178.487 176.300 -0.060 0.000 1.134 301 R CA 1.723 57.764 56.100 -0.098 0.000 0.952 301 R CB -0.298 29.867 30.300 -0.225 0.000 0.850 301 R HN 0.396 nan 8.270 nan 0.000 0.433 302 L N 0.058 121.236 121.223 -0.074 0.000 2.056 302 L HA -0.090 4.251 4.340 0.000 0.000 0.207 302 L C 2.731 179.600 176.870 -0.002 0.000 1.078 302 L CA 1.223 56.030 54.840 -0.055 0.000 0.749 302 L CB -0.601 41.421 42.059 -0.063 0.000 0.901 302 L HN 0.314 nan 8.230 nan 0.000 0.433 303 A N -0.440 122.384 122.820 0.008 0.000 1.898 303 A HA -0.168 4.153 4.320 0.000 0.000 0.216 303 A C 2.402 180.067 177.584 0.136 0.000 1.181 303 A CA 1.810 53.882 52.037 0.058 0.000 0.620 303 A CB -0.859 18.164 19.000 0.039 0.000 0.819 303 A HN 0.196 nan 8.150 nan 0.000 0.442 304 V N 0.809 120.774 119.914 0.084 0.000 2.453 304 V HA -0.176 3.944 4.120 0.000 0.000 0.247 304 V C 2.810 178.957 176.094 0.088 0.000 1.048 304 V CA 2.812 65.162 62.300 0.084 0.000 1.049 304 V CB -0.437 31.419 31.823 0.055 0.000 0.672 304 V HN 0.786 nan 8.190 nan 0.000 0.457 305 S N 0.650 116.393 115.700 0.073 0.000 2.371 305 S HA -0.033 4.437 4.470 0.000 0.000 0.224 305 S C 2.159 176.826 174.600 0.111 0.000 1.029 305 S CA 1.199 59.444 58.200 0.074 0.000 0.978 305 S CB -0.670 62.549 63.200 0.032 0.000 0.833 305 S HN 0.772 nan 8.310 nan 0.000 0.466 306 A N 2.370 125.282 122.820 0.153 0.000 1.902 306 A HA 0.248 4.568 4.320 0.000 0.000 0.217 306 A C 2.547 180.320 177.584 0.315 0.000 1.181 306 A CA 1.847 54.044 52.037 0.267 0.000 0.623 306 A CB -1.524 17.663 19.000 0.311 0.000 0.818 306 A HN 0.867 nan 8.150 nan 0.000 0.443 307 A N -1.106 121.889 122.820 0.291 0.000 1.933 307 A HA -0.174 4.146 4.320 0.000 0.000 0.218 307 A C 2.296 179.843 177.584 -0.061 0.000 1.175 307 A CA 1.693 53.739 52.037 0.015 0.000 0.628 307 A CB -1.243 17.760 19.000 0.006 0.000 0.814 307 A HN 0.602 nan 8.150 nan 0.000 0.444 308 C N -1.142 118.169 119.300 0.019 0.000 2.432 308 C HA 0.021 4.481 4.460 0.000 0.000 0.277 308 C C 3.037 177.983 174.990 -0.073 0.000 1.249 308 C CA 0.596 59.617 59.018 0.005 0.000 1.725 308 C CB -1.603 26.193 27.740 0.093 0.000 2.028 308 C HN 0.703 nan 8.230 nan 0.000 0.477 309 G N 0.297 109.083 108.800 -0.024 0.000 2.491 309 G HA2 -0.261 3.699 3.960 0.000 0.000 0.218 309 G HA3 -0.261 3.699 3.960 0.000 0.000 0.218 309 G C 1.503 176.383 174.900 -0.035 0.000 1.180 309 G CA 1.184 46.265 45.100 -0.032 0.000 0.774 309 G HN 0.439 nan 8.290 nan 0.000 0.562 310 L N 1.288 122.462 121.223 -0.082 0.000 2.083 310 L HA 0.174 4.514 4.340 0.000 0.000 0.209 310 L C 3.148 179.795 176.870 -0.371 0.000 1.083 310 L CA 1.997 56.666 54.840 -0.286 0.000 0.752 310 L CB -0.696 41.034 42.059 -0.548 0.000 0.899 310 L HN 0.266 nan 8.230 nan 0.000 0.433 311 A N -1.591 121.067 122.820 -0.268 0.000 1.902 311 A HA -0.298 4.023 4.320 0.000 0.000 0.217 311 A C 2.406 179.956 177.584 -0.057 0.000 1.181 311 A CA 1.827 53.764 52.037 -0.167 0.000 0.623 311 A CB -1.068 17.868 19.000 -0.107 0.000 0.818 311 A HN 0.699 nan 8.150 nan 0.000 0.443 312 H N -0.177 118.790 119.070 -0.172 0.000 2.353 312 H HA -0.047 4.509 4.556 0.000 0.000 0.300 312 H C 1.964 177.246 175.328 -0.076 0.000 1.090 312 H CA 1.691 57.639 56.048 -0.166 0.000 1.327 312 H CB -0.124 29.387 29.762 -0.418 0.000 1.383 312 H HN 0.421 nan 8.280 nan 0.000 0.508 313 L N -0.168 121.014 121.223 -0.068 0.000 2.012 313 L HA -0.230 4.110 4.340 0.000 0.000 0.210 313 L C 2.686 179.601 176.870 0.075 0.000 1.073 313 L CA 1.535 56.366 54.840 -0.014 0.000 0.748 313 L CB -0.668 41.463 42.059 0.121 0.000 0.891 313 L HN 0.460 nan 8.230 nan 0.000 0.431 314 H N -1.736 117.294 119.070 -0.067 0.000 2.389 314 H HA -0.022 4.534 4.556 0.000 0.000 0.299 314 H C 0.752 176.068 175.328 -0.020 0.000 1.081 314 H CA 0.188 56.222 56.048 -0.023 0.000 1.345 314 H CB 0.353 30.076 29.762 -0.066 0.000 1.393 314 H HN 0.041 nan 8.280 nan 0.000 0.520 315 V N 2.430 122.376 119.914 0.054 0.000 2.488 315 V HA -0.004 4.116 4.120 0.000 0.000 0.277 315 V C 0.002 176.044 176.094 -0.087 0.000 1.046 315 V CA -0.278 62.026 62.300 0.007 0.000 0.986 315 V CB 1.152 32.986 31.823 0.018 0.000 0.989 315 V HN 0.322 nan 8.190 nan 0.000 0.475 316 E N 6.006 126.142 120.200 -0.107 0.000 2.324 316 E HA 0.254 4.604 4.350 0.000 0.000 0.271 316 E C -0.641 175.776 176.600 -0.306 0.000 1.028 316 E CA -0.189 56.023 56.400 -0.313 0.000 0.890 316 E CB 0.739 30.145 29.700 -0.489 0.000 1.004 316 E HN 0.707 nan 8.360 nan 0.000 0.431 317 I N 5.750 126.116 120.570 -0.339 0.000 2.339 317 I HA 0.248 4.418 4.170 0.000 0.000 0.290 317 I C -0.700 175.259 176.117 -0.264 0.000 0.994 317 I CA -0.576 60.632 61.300 -0.153 0.000 1.191 317 I CB 0.628 38.593 38.000 -0.059 0.000 1.343 317 I HN 0.525 nan 8.210 nan 0.000 0.458 318 F N 3.978 123.921 119.950 -0.012 0.000 2.440 318 F HA 0.807 5.334 4.527 0.000 0.000 0.328 318 F C 0.890 176.687 175.800 -0.004 0.000 1.070 318 F CA -0.344 57.647 58.000 -0.014 0.000 1.011 318 F CB 1.781 40.773 39.000 -0.014 0.000 1.226 318 F HN 0.562 nan 8.300 nan 0.000 0.491 319 G N 0.460 109.367 108.800 0.178 0.000 2.555 319 G HA2 -0.085 3.875 3.960 0.000 0.000 0.686 319 G HA3 -0.085 3.875 3.960 0.000 0.000 0.686 319 G C 0.284 175.218 174.900 0.058 0.000 1.275 319 G CA -0.540 44.622 45.100 0.103 0.000 0.871 319 G HN 0.760 nan 8.290 nan 0.000 0.603 320 T N 0.006 114.587 114.554 0.045 0.000 2.719 320 T HA -0.296 4.054 4.350 0.000 0.000 0.254 320 T C 1.194 175.908 174.700 0.023 0.000 1.106 320 T CA 2.460 64.579 62.100 0.031 0.000 1.146 320 T CB -0.363 68.523 68.868 0.029 0.000 0.839 320 T HN 0.724 nan 8.240 nan 0.000 0.473 321 Q N 1.547 121.363 119.800 0.026 0.000 2.571 321 Q HA 0.542 4.882 4.340 0.000 0.000 0.243 321 Q C 0.203 176.209 176.000 0.011 0.000 1.055 321 Q CA -0.435 55.381 55.803 0.021 0.000 0.815 321 Q CB 1.666 30.424 28.738 0.033 0.000 1.151 321 Q HN 0.485 nan 8.270 nan 0.000 0.519 322 G N 0.788 109.577 108.800 -0.018 0.000 2.557 322 G HA2 0.812 4.772 3.960 0.000 0.000 0.302 322 G HA3 0.812 4.772 3.960 0.000 0.000 0.302 322 G C -0.907 173.935 174.900 -0.096 0.000 1.311 322 G CA -0.292 44.771 45.100 -0.062 0.000 1.030 322 G HN 0.464 nan 8.290 nan 0.000 0.509 323 K N 0.331 120.627 120.400 -0.173 0.000 2.583 323 K HA 0.680 5.000 4.320 0.000 0.000 0.260 323 K C -3.162 173.261 176.600 -0.294 0.000 0.931 323 K CA -1.155 55.010 56.287 -0.203 0.000 0.849 323 K CB 1.326 33.718 32.500 -0.179 0.000 1.347 323 K HN 0.602 nan 8.250 nan 0.000 0.425 324 P HA 0.460 nan 4.420 nan 0.000 0.274 324 P C -0.033 177.085 177.300 -0.303 0.000 1.260 324 P CA -0.104 62.795 63.100 -0.335 0.000 0.793 324 P CB 0.836 32.347 31.700 -0.314 0.000 1.048 325 A N 1.237 123.864 122.820 -0.321 0.000 2.450 325 A HA 0.450 4.770 4.320 0.000 0.000 0.255 325 A C 0.197 177.706 177.584 -0.126 0.000 1.096 325 A CA -0.162 51.752 52.037 -0.206 0.000 0.778 325 A CB -0.809 18.062 19.000 -0.216 0.000 1.031 325 A HN 0.427 nan 8.150 nan 0.000 0.494 326 I N 1.623 122.245 120.570 0.086 0.000 2.466 326 I HA 0.544 4.714 4.170 0.000 0.000 0.289 326 I C 0.333 176.577 176.117 0.211 0.000 1.026 326 I CA -0.330 61.044 61.300 0.124 0.000 1.078 326 I CB 2.139 40.130 38.000 -0.016 0.000 1.249 326 I HN 0.680 nan 8.210 nan 0.000 0.429 327 A N 4.242 127.159 122.820 0.162 0.000 2.317 327 A HA 0.403 4.723 4.320 0.000 0.000 0.327 327 A C 0.472 178.114 177.584 0.097 0.000 1.178 327 A CA -0.414 51.631 52.037 0.014 0.000 0.817 327 A CB 0.661 19.496 19.000 -0.274 0.000 1.189 327 A HN 0.894 nan 8.150 nan 0.000 0.489 328 H N 1.543 120.687 119.070 0.124 0.000 2.284 328 H HA -0.012 4.544 4.556 0.000 0.000 0.304 328 H C 0.668 176.057 175.328 0.100 0.000 1.069 328 H CA 2.125 58.254 56.048 0.134 0.000 1.327 328 H CB 0.109 30.023 29.762 0.253 0.000 1.387 328 H HN 0.903 nan 8.280 nan 0.000 0.498 329 R N -0.621 120.082 120.500 0.340 0.000 3.840 329 R HA -0.171 4.169 4.340 0.000 0.000 0.464 329 R C -0.581 175.910 176.300 0.318 0.000 0.986 329 R CA 1.170 57.424 56.100 0.258 0.000 1.305 329 R CB -1.449 28.905 30.300 0.090 0.000 1.950 329 R HN 0.352 nan 8.270 nan 0.000 0.526 330 D N -0.366 120.346 120.400 0.520 0.000 3.078 330 D HA 0.145 4.785 4.640 0.000 0.000 0.363 330 D C -1.210 175.195 176.300 0.175 0.000 1.391 330 D CA -0.344 53.869 54.000 0.355 0.000 0.754 330 D CB 0.022 40.982 40.800 0.266 0.000 1.238 330 D HN 0.064 nan 8.370 nan 0.000 0.500 331 F N 2.629 122.553 119.950 -0.043 0.000 2.472 331 F HA 0.332 4.859 4.527 0.000 0.000 0.364 331 F C 0.363 176.021 175.800 -0.237 0.000 1.090 331 F CA 0.238 58.067 58.000 -0.285 0.000 1.188 331 F CB 0.190 39.119 39.000 -0.118 0.000 1.105 331 F HN -0.010 nan 8.300 nan 0.000 0.536 332 K N 1.742 121.633 120.400 -0.847 0.000 2.615 332 K HA 0.325 4.646 4.320 0.000 0.000 0.291 332 K C 0.027 176.226 176.600 -0.669 0.000 1.017 332 K CA -0.267 55.475 56.287 -0.907 0.000 0.882 332 K CB 1.135 32.901 32.500 -1.223 0.000 1.522 332 K HN 0.363 nan 8.250 nan 0.000 0.412 333 S N 0.213 115.722 115.700 -0.318 0.000 2.419 333 S HA -0.106 4.364 4.470 0.000 0.000 0.233 333 S C 1.506 176.049 174.600 -0.095 0.000 1.016 333 S CA 0.547 58.685 58.200 -0.103 0.000 0.974 333 S CB -0.429 62.885 63.200 0.190 0.000 0.786 333 S HN 0.603 nan 8.310 nan 0.000 0.492 334 R N 1.316 121.730 120.500 -0.143 0.000 2.235 334 R HA 0.185 4.525 4.340 0.000 0.000 0.213 334 R C 0.481 176.669 176.300 -0.187 0.000 1.059 334 R CA 0.692 56.701 56.100 -0.151 0.000 0.997 334 R CB -0.215 29.952 30.300 -0.221 0.000 0.884 334 R HN 0.370 nan 8.270 nan 0.000 0.462 335 N N 0.103 118.644 118.700 -0.264 0.000 2.273 335 N HA 0.094 4.834 4.740 0.000 0.000 0.231 335 N C -1.056 174.307 175.510 -0.245 0.000 1.134 335 N CA 0.178 53.094 53.050 -0.224 0.000 0.856 335 N CB 1.299 39.662 38.487 -0.206 0.000 1.068 335 N HN -0.129 nan 8.380 nan 0.000 0.510 336 V N 1.482 121.251 119.914 -0.241 0.000 2.531 336 V HA 0.437 4.557 4.120 0.000 0.000 0.301 336 V C 0.031 176.061 176.094 -0.106 0.000 1.034 336 V CA -0.773 61.421 62.300 -0.175 0.000 0.865 336 V CB 2.325 34.013 31.823 -0.225 0.000 0.995 336 V HN -0.015 nan 8.190 nan 0.000 0.424 337 L N 4.319 125.492 121.223 -0.082 0.000 2.375 337 L HA 0.651 4.991 4.340 0.000 0.000 0.268 337 L C -0.418 176.340 176.870 -0.187 0.000 1.058 337 L CA -0.723 54.058 54.840 -0.099 0.000 0.803 337 L CB 1.919 43.953 42.059 -0.042 0.000 1.212 337 L HN 0.357 nan 8.230 nan 0.000 0.451 338 V N 2.028 121.816 119.914 -0.210 0.000 2.384 338 V HA 0.324 4.444 4.120 0.000 0.000 0.287 338 V C 0.073 176.008 176.094 -0.265 0.000 1.020 338 V CA -0.906 61.211 62.300 -0.305 0.000 0.850 338 V CB 1.351 32.851 31.823 -0.539 0.000 0.987 338 V HN 0.648 nan 8.190 nan 0.000 0.436 339 K N 2.253 122.461 120.400 -0.321 0.000 2.117 339 K HA 0.349 4.669 4.320 0.000 0.000 0.240 339 K C 1.337 177.877 176.600 -0.100 0.000 1.031 339 K CA -0.320 55.802 56.287 -0.275 0.000 0.909 339 K CB 0.500 32.831 32.500 -0.283 0.000 1.097 339 K HN 0.580 nan 8.250 nan 0.000 0.492 340 S N 1.235 116.890 115.700 -0.075 0.000 2.374 340 S HA -0.177 4.293 4.470 0.000 0.000 0.227 340 S C 1.164 175.764 174.600 -0.001 0.000 1.037 340 S CA 1.961 60.121 58.200 -0.066 0.000 1.024 340 S CB -0.491 62.682 63.200 -0.045 0.000 0.861 340 S HN 0.690 nan 8.310 nan 0.000 0.456 341 N N 1.785 120.474 118.700 -0.018 0.000 2.421 341 N HA 0.128 4.868 4.740 0.000 0.000 0.201 341 N C 0.098 175.589 175.510 -0.032 0.000 1.198 341 N CA 0.017 53.062 53.050 -0.009 0.000 0.838 341 N CB -1.013 37.468 38.487 -0.010 0.000 1.011 341 N HN 0.347 nan 8.380 nan 0.000 0.463 342 L N -2.742 118.445 121.223 -0.059 0.000 3.737 342 L HA -0.313 4.027 4.340 0.000 0.000 0.418 342 L C 0.457 177.233 176.870 -0.157 0.000 1.216 342 L CA 1.014 55.762 54.840 -0.153 0.000 0.915 342 L CB -2.561 39.433 42.059 -0.107 0.000 1.834 342 L HN 0.650 nan 8.230 nan 0.000 0.943 343 Q N -0.999 118.720 119.800 -0.135 0.000 2.301 343 Q HA 0.646 4.986 4.340 0.000 0.000 0.267 343 Q C -0.034 175.880 176.000 -0.145 0.000 1.035 343 Q CA -0.075 55.663 55.803 -0.108 0.000 0.856 343 Q CB 1.837 30.541 28.738 -0.057 0.000 1.337 343 Q HN 0.339 nan 8.270 nan 0.000 0.450 344 C N 1.004 120.245 119.300 -0.098 0.000 2.443 344 C HA 0.850 5.310 4.460 0.000 0.000 0.369 344 C C 0.784 175.742 174.990 -0.053 0.000 1.241 344 C CA -0.422 58.539 59.018 -0.095 0.000 2.413 344 C CB -0.110 27.611 27.740 -0.031 0.000 2.451 344 C HN 1.120 nan 8.230 nan 0.000 0.595 345 C N 1.443 120.705 119.300 -0.063 0.000 2.783 345 C HA 0.721 5.181 4.460 0.000 0.000 0.312 345 C C -0.692 174.333 174.990 0.060 0.000 1.182 345 C CA -0.934 58.099 59.018 0.025 0.000 1.432 345 C CB -0.661 27.096 27.740 0.028 0.000 1.933 345 C HN 0.815 nan 8.230 nan 0.000 0.473 346 I N 3.041 123.690 120.570 0.130 0.000 2.474 346 I HA 0.571 4.741 4.170 0.000 0.000 0.287 346 I C 0.841 177.071 176.117 0.189 0.000 1.048 346 I CA 0.356 61.749 61.300 0.155 0.000 1.383 346 I CB 1.103 39.259 38.000 0.260 0.000 1.412 346 I HN 1.038 nan 8.210 nan 0.000 0.531 347 A N 3.933 126.857 122.820 0.173 0.000 2.437 347 A HA 0.615 4.935 4.320 0.000 0.000 0.288 347 A C -0.540 177.198 177.584 0.257 0.000 1.201 347 A CA -0.412 51.746 52.037 0.202 0.000 0.795 347 A CB 1.143 20.217 19.000 0.124 0.000 1.359 347 A HN 0.770 nan 8.150 nan 0.000 0.435 348 D N -1.661 118.846 120.400 0.179 0.000 3.830 348 D HA -0.104 4.536 4.640 0.000 0.000 0.247 348 D C -0.701 175.554 176.300 -0.074 0.000 1.073 348 D CA 0.361 54.427 54.000 0.110 0.000 1.116 348 D CB -0.977 39.882 40.800 0.099 0.000 0.909 348 D HN 0.302 nan 8.370 nan 0.000 0.418 349 L N 2.268 123.416 121.223 -0.126 0.000 2.685 349 L HA 0.378 4.718 4.340 0.000 0.000 0.233 349 L C 2.474 179.213 176.870 -0.220 0.000 1.173 349 L CA 0.819 55.471 54.840 -0.314 0.000 0.961 349 L CB 0.242 42.061 42.059 -0.400 0.000 1.217 349 L HN 0.504 nan 8.230 nan 0.000 0.478 350 G N -0.620 108.131 108.800 -0.083 0.000 2.462 350 G HA2 -0.179 3.781 3.960 0.000 0.000 0.220 350 G HA3 -0.179 3.781 3.960 0.000 0.000 0.220 350 G C 1.319 176.200 174.900 -0.032 0.000 1.121 350 G CA 0.485 45.584 45.100 -0.001 0.000 0.758 350 G HN 0.382 nan 8.290 nan 0.000 0.559 351 L N 0.401 121.579 121.223 -0.075 0.000 2.808 351 L HA 0.425 4.765 4.340 0.000 0.000 0.246 351 L C 1.442 178.240 176.870 -0.121 0.000 1.153 351 L CA -0.560 54.244 54.840 -0.061 0.000 0.956 351 L CB 0.311 42.367 42.059 -0.004 0.000 1.270 351 L HN 0.212 nan 8.230 nan 0.000 0.528 352 A N 0.867 123.582 122.820 -0.176 0.000 2.483 352 A HA 0.398 4.718 4.320 0.000 0.000 0.238 352 A C -0.061 177.429 177.584 -0.157 0.000 1.070 352 A CA -0.001 51.930 52.037 -0.177 0.000 0.770 352 A CB 0.384 19.254 19.000 -0.216 0.000 1.008 352 A HN 0.109 nan 8.150 nan 0.000 0.497 353 V N 0.251 120.086 119.914 -0.131 0.000 2.823 353 V HA 0.879 4.999 4.120 0.000 0.000 0.312 353 V C -0.332 175.786 176.094 0.039 0.000 1.072 353 V CA -0.967 61.268 62.300 -0.107 0.000 0.937 353 V CB 1.521 33.191 31.823 -0.256 0.000 1.013 353 V HN 0.949 nan 8.190 nan 0.000 0.430 354 M N 3.123 122.682 119.600 -0.067 0.000 2.704 354 M HA 0.753 5.233 4.480 0.000 0.000 0.284 354 M C -0.958 175.099 176.300 -0.405 0.000 1.275 354 M CA -0.578 54.588 55.300 -0.223 0.000 0.811 354 M CB 2.427 34.881 32.600 -0.243 0.000 1.741 354 M HN 1.069 nan 8.290 nan 0.000 0.458 355 H N -0.121 118.514 119.070 -0.724 0.000 2.988 355 H HA 0.414 4.970 4.556 0.000 0.000 0.284 355 H C -2.399 172.555 175.328 -0.623 0.000 1.284 355 H CA -0.383 55.203 56.048 -0.771 0.000 1.431 355 H CB 1.464 30.533 29.762 -1.155 0.000 1.954 355 H HN 0.778 nan 8.280 nan 0.000 0.509 356 S N 2.891 118.239 115.700 -0.586 0.000 2.595 356 S HA 0.161 4.631 4.470 0.000 0.000 0.281 356 S C 1.004 175.473 174.600 -0.219 0.000 1.117 356 S CA -0.705 57.304 58.200 -0.318 0.000 0.873 356 S CB 2.610 65.626 63.200 -0.307 0.000 1.108 356 S HN 0.726 nan 8.310 nan 0.000 0.477 357 Q N 1.657 121.474 119.800 0.029 0.000 2.020 357 Q HA -0.051 4.289 4.340 0.000 0.000 0.202 357 Q C 2.122 178.140 176.000 0.029 0.000 0.982 357 Q CA 2.145 58.021 55.803 0.122 0.000 0.838 357 Q CB -0.943 27.952 28.738 0.260 0.000 0.899 357 Q HN 0.988 nan 8.270 nan 0.000 0.423 358 G N -0.648 108.166 108.800 0.023 0.000 2.505 358 G HA2 -0.198 3.763 3.960 0.000 0.000 0.220 358 G HA3 -0.198 3.763 3.960 0.000 0.000 0.220 358 G C 0.306 175.199 174.900 -0.011 0.000 1.145 358 G CA 1.096 46.203 45.100 0.010 0.000 0.761 358 G HN 0.334 nan 8.290 nan 0.000 0.571 359 S N 0.224 115.890 115.700 -0.057 0.000 2.756 359 S HA 0.331 4.801 4.470 0.000 0.000 0.303 359 S C -1.571 172.931 174.600 -0.162 0.000 1.135 359 S CA -0.652 57.531 58.200 -0.029 0.000 1.066 359 S CB 1.883 65.129 63.200 0.077 0.000 1.008 359 S HN 0.240 nan 8.310 nan 0.000 0.482 360 D N 3.226 123.576 120.400 -0.083 0.000 2.398 360 D HA 0.318 4.958 4.640 0.000 0.000 0.250 360 D C -0.682 175.647 176.300 0.048 0.000 1.287 360 D CA 0.702 54.663 54.000 -0.065 0.000 0.992 360 D CB -0.118 40.819 40.800 0.227 0.000 1.071 360 D HN 0.496 nan 8.370 nan 0.000 0.514 361 Y N 2.204 122.351 120.300 -0.255 0.000 2.480 361 Y HA 0.302 4.852 4.550 0.000 0.000 0.329 361 Y C -2.127 173.735 175.900 -0.063 0.000 1.127 361 Y CA -1.433 56.620 58.100 -0.078 0.000 1.037 361 Y CB 0.749 39.160 38.460 -0.082 0.000 1.320 361 Y HN 0.024 nan 8.280 nan 0.000 0.446 362 L N 5.686 126.967 121.223 0.097 0.000 2.361 362 L HA 0.201 4.542 4.340 0.000 0.000 0.278 362 L C 0.102 176.850 176.870 -0.204 0.000 1.113 362 L CA 0.496 55.337 54.840 0.002 0.000 0.849 362 L CB 0.432 42.609 42.059 0.196 0.000 1.155 362 L HN 0.935 nan 8.230 nan 0.000 0.452 363 D N 5.533 125.732 120.400 -0.335 0.000 2.489 363 D HA 0.131 4.771 4.640 0.000 0.000 0.237 363 D C 0.160 176.387 176.300 -0.123 0.000 1.212 363 D CA 0.061 53.907 54.000 -0.258 0.000 1.058 363 D CB 0.011 40.634 40.800 -0.295 0.000 1.098 363 D HN 0.417 nan 8.370 nan 0.000 0.509 364 I N 1.434 121.975 120.570 -0.049 0.000 2.385 364 I HA 0.652 4.822 4.170 0.000 0.000 0.294 364 I C 1.463 177.566 176.117 -0.023 0.000 0.988 364 I CA -0.422 60.851 61.300 -0.045 0.000 1.265 364 I CB 1.073 39.070 38.000 -0.004 0.000 1.388 364 I HN 0.381 nan 8.210 nan 0.000 0.480 365 G N 2.487 111.264 108.800 -0.038 0.000 2.394 365 G HA2 0.165 4.125 3.960 0.000 0.000 0.256 365 G HA3 0.165 4.125 3.960 0.000 0.000 0.256 365 G C 0.523 175.449 174.900 0.043 0.000 1.504 365 G CA 0.595 45.699 45.100 0.007 0.000 1.051 365 G HN 0.847 nan 8.290 nan 0.000 0.550 366 N N -0.161 118.581 118.700 0.069 0.000 2.184 366 N HA 0.044 4.784 4.740 0.000 0.000 0.234 366 N C -0.065 175.475 175.510 0.050 0.000 1.282 366 N CA -0.437 52.645 53.050 0.054 0.000 0.877 366 N CB 0.219 38.736 38.487 0.049 0.000 1.184 366 N HN 0.292 nan 8.380 nan 0.000 0.510 367 N N 2.562 121.296 118.700 0.056 0.000 2.447 367 N HA 0.057 4.797 4.740 0.000 0.000 0.263 367 N C -1.464 174.075 175.510 0.049 0.000 1.226 367 N CA -0.804 52.283 53.050 0.063 0.000 0.906 367 N CB 1.336 39.861 38.487 0.065 0.000 1.060 367 N HN 0.033 nan 8.380 nan 0.000 0.468 368 P HA -0.032 nan 4.420 nan 0.000 0.225 368 P C 0.108 177.436 177.300 0.046 0.000 1.156 368 P CA 0.385 63.510 63.100 0.041 0.000 0.787 368 P CB 0.195 31.919 31.700 0.039 0.000 0.802 369 R N 0.786 121.327 120.500 0.067 0.000 2.697 369 R HA 0.270 4.610 4.340 0.000 0.000 0.265 369 R C -0.360 175.979 176.300 0.065 0.000 1.009 369 R CA 0.127 56.274 56.100 0.078 0.000 1.099 369 R CB -0.184 30.181 30.300 0.110 0.000 0.965 369 R HN -0.009 nan 8.270 nan 0.000 0.428 370 V N 2.289 122.244 119.914 0.068 0.000 3.166 370 V HA 0.636 4.756 4.120 0.000 0.000 0.317 370 V C 0.761 176.919 176.094 0.107 0.000 1.136 370 V CA -0.736 61.607 62.300 0.072 0.000 1.035 370 V CB 1.403 33.250 31.823 0.038 0.000 1.110 370 V HN 0.954 nan 8.190 nan 0.000 0.450 371 G N 0.691 109.572 108.800 0.134 0.000 2.559 371 G HA2 0.431 4.391 3.960 0.000 0.000 0.235 371 G HA3 0.431 4.391 3.960 0.000 0.000 0.235 371 G C 0.276 175.288 174.900 0.186 0.000 1.266 371 G CA 0.677 45.883 45.100 0.178 0.000 0.847 371 G HN 0.980 nan 8.290 nan 0.000 0.583 372 T N 1.678 116.352 114.554 0.199 0.000 2.871 372 T HA 0.020 4.370 4.350 0.000 0.000 0.296 372 T C 1.635 176.511 174.700 0.293 0.000 0.998 372 T CA 0.230 62.466 62.100 0.227 0.000 1.162 372 T CB 0.964 69.965 68.868 0.221 0.000 0.947 372 T HN 0.577 nan 8.240 nan 0.000 0.536 373 K N 2.423 122.969 120.400 0.244 0.000 2.097 373 K HA -0.127 4.193 4.320 0.000 0.000 0.206 373 K C 2.429 179.155 176.600 0.210 0.000 1.049 373 K CA 0.995 57.421 56.287 0.231 0.000 0.933 373 K CB -0.024 32.599 32.500 0.205 0.000 0.717 373 K HN 0.401 nan 8.250 nan 0.000 0.442 374 R N -0.005 120.639 120.500 0.240 0.000 2.159 374 R HA -0.161 4.179 4.340 0.000 0.000 0.237 374 R C 0.927 177.304 176.300 0.129 0.000 1.131 374 R CA 1.518 57.708 56.100 0.150 0.000 0.982 374 R CB 0.021 30.420 30.300 0.164 0.000 0.868 374 R HN 0.316 nan 8.270 nan 0.000 0.453 375 Y N -1.364 119.106 120.300 0.283 0.000 2.467 375 Y HA 0.249 4.799 4.550 0.000 0.000 0.250 375 Y C 0.847 177.011 175.900 0.440 0.000 1.155 375 Y CA -0.154 58.186 58.100 0.400 0.000 1.249 375 Y CB 0.548 39.215 38.460 0.345 0.000 1.146 375 Y HN 0.020 nan 8.280 nan 0.000 0.524 376 M N 0.952 120.779 119.600 0.378 0.000 2.238 376 M HA 0.648 5.128 4.480 0.000 0.000 0.350 376 M C 0.689 176.951 176.300 -0.065 0.000 1.321 376 M CA -0.373 55.050 55.300 0.205 0.000 1.097 376 M CB -1.009 31.694 32.600 0.171 0.000 1.713 376 M HN 0.339 nan 8.290 nan 0.000 0.455 377 A N 4.897 127.522 122.820 -0.325 0.000 2.346 377 A HA 0.632 4.953 4.320 0.000 0.000 0.252 377 A C -1.129 176.025 177.584 -0.718 0.000 1.089 377 A CA -0.968 50.414 52.037 -1.092 0.000 0.797 377 A CB -0.478 18.133 19.000 -0.648 0.000 1.047 377 A HN 0.787 nan 8.150 nan 0.000 0.494 378 P HA -0.206 nan 4.420 nan 0.000 0.216 378 P C 1.263 178.415 177.300 -0.248 0.000 1.153 378 P CA 1.731 64.562 63.100 -0.447 0.000 0.858 378 P CB 0.003 31.473 31.700 -0.382 0.000 0.789 379 E N -0.188 119.882 120.200 -0.218 0.000 2.268 379 E HA -0.089 4.261 4.350 0.000 0.000 0.195 379 E C 1.728 178.295 176.600 -0.055 0.000 0.995 379 E CA 1.143 57.480 56.400 -0.106 0.000 0.836 379 E CB -1.226 28.430 29.700 -0.075 0.000 0.763 379 E HN 0.123 nan 8.360 nan 0.000 0.491 380 V N 1.133 121.014 119.914 -0.056 0.000 2.535 380 V HA -0.139 3.981 4.120 0.000 0.000 0.246 380 V C 2.484 178.653 176.094 0.126 0.000 1.045 380 V CA 0.998 63.320 62.300 0.036 0.000 1.058 380 V CB -0.392 31.469 31.823 0.063 0.000 0.689 380 V HN 0.121 nan 8.190 nan 0.000 0.461 381 L N -0.373 120.901 121.223 0.084 0.000 2.156 381 L HA -0.089 4.251 4.340 0.000 0.000 0.208 381 L C 2.153 179.073 176.870 0.084 0.000 1.095 381 L CA 1.323 56.242 54.840 0.133 0.000 0.770 381 L CB -0.524 41.441 42.059 -0.157 0.000 0.914 381 L HN 0.267 nan 8.230 nan 0.000 0.439 382 D N 0.576 120.979 120.400 0.006 0.000 2.269 382 D HA -0.089 4.551 4.640 0.000 0.000 0.208 382 D C 1.403 177.735 176.300 0.053 0.000 0.963 382 D CA 1.243 55.246 54.000 0.005 0.000 0.864 382 D CB 0.197 40.976 40.800 -0.035 0.000 0.936 382 D HN 0.362 nan 8.370 nan 0.000 0.505 383 E N -1.583 118.663 120.200 0.076 0.000 2.791 383 E HA -0.279 4.071 4.350 0.000 0.000 0.271 383 E C 0.952 177.567 176.600 0.025 0.000 1.044 383 E CA 1.550 57.985 56.400 0.059 0.000 0.814 383 E CB -2.960 26.783 29.700 0.071 0.000 1.400 383 E HN 0.589 nan 8.360 nan 0.000 0.423 384 Q N -1.829 117.975 119.800 0.007 0.000 2.319 384 Q HA 0.700 5.040 4.340 0.000 0.000 0.202 384 Q C 1.814 177.805 176.000 -0.014 0.000 0.896 384 Q CA 1.351 57.151 55.803 -0.006 0.000 0.942 384 Q CB -0.612 28.116 28.738 -0.015 0.000 1.083 384 Q HN 2.386 nan 8.270 nan 0.000 0.510 385 I N 2.183 122.740 120.570 -0.021 0.000 2.634 385 I HA 0.520 4.690 4.170 0.000 0.000 0.284 385 I C 0.784 176.865 176.117 -0.060 0.000 1.124 385 I CA -1.046 60.225 61.300 -0.049 0.000 1.417 385 I CB 0.350 38.303 38.000 -0.079 0.000 1.396 385 I HN 0.555 nan 8.210 nan 0.000 0.571 386 R N 4.198 124.652 120.500 -0.077 0.000 2.272 386 R HA 0.252 4.592 4.340 0.000 0.000 0.334 386 R C 0.764 176.983 176.300 -0.135 0.000 1.117 386 R CA 0.468 56.530 56.100 -0.064 0.000 0.966 386 R CB -0.803 29.482 30.300 -0.025 0.000 1.049 386 R HN 0.912 nan 8.270 nan 0.000 0.477 387 T N -1.932 112.588 114.554 -0.057 0.000 3.113 387 T HA -0.101 4.249 4.350 0.000 0.000 0.263 387 T C 0.472 175.254 174.700 0.137 0.000 1.143 387 T CA 0.713 62.825 62.100 0.020 0.000 1.090 387 T CB -0.193 68.754 68.868 0.131 0.000 0.922 387 T HN 0.583 nan 8.240 nan 0.000 0.521 388 D N -0.253 120.197 120.400 0.083 0.000 2.463 388 D HA 0.248 4.888 4.640 0.000 0.000 0.224 388 D C -0.165 176.209 176.300 0.122 0.000 1.174 388 D CA -0.784 53.296 54.000 0.134 0.000 0.829 388 D CB -0.752 40.111 40.800 0.106 0.000 0.993 388 D HN 0.375 nan 8.370 nan 0.000 0.497 389 C N 0.311 119.643 119.300 0.052 0.000 2.364 389 C HA 0.485 4.945 4.460 0.000 0.000 0.324 389 C C 1.068 176.049 174.990 -0.015 0.000 1.234 389 C CA -1.005 58.023 59.018 0.017 0.000 1.417 389 C CB -0.725 26.992 27.740 -0.039 0.000 2.101 389 C HN 0.364 nan 8.230 nan 0.000 0.466 390 F N 3.863 123.738 119.950 -0.125 0.000 2.146 390 F HA 0.080 4.607 4.527 0.000 0.000 0.298 390 F C 2.047 177.652 175.800 -0.325 0.000 1.096 390 F CA 2.719 60.629 58.000 -0.150 0.000 1.275 390 F CB -0.364 38.384 39.000 -0.419 0.000 1.008 390 F HN 0.784 nan 8.300 nan 0.000 0.480 391 E N 0.137 120.007 120.200 -0.550 0.000 2.097 391 E HA -0.229 4.121 4.350 0.000 0.000 0.196 391 E C 2.183 178.031 176.600 -1.255 0.000 1.000 391 E CA 1.797 57.575 56.400 -1.037 0.000 0.804 391 E CB -1.432 27.657 29.700 -1.018 0.000 0.740 391 E HN 0.538 nan 8.360 nan 0.000 0.454 392 S N -0.011 115.277 115.700 -0.686 0.000 2.372 392 S HA -0.190 4.280 4.470 0.000 0.000 0.227 392 S C 2.018 176.425 174.600 -0.321 0.000 1.044 392 S CA 1.655 59.684 58.200 -0.285 0.000 1.050 392 S CB -0.569 62.437 63.200 -0.324 0.000 0.901 392 S HN 0.711 nan 8.310 nan 0.000 0.447 393 Y N 1.640 121.733 120.300 -0.345 0.000 2.224 393 Y HA -0.019 4.531 4.550 0.000 0.000 0.289 393 Y C 2.337 178.020 175.900 -0.361 0.000 1.146 393 Y CA 0.633 58.557 58.100 -0.293 0.000 1.182 393 Y CB -0.374 37.888 38.460 -0.329 0.000 0.983 393 Y HN 0.166 nan 8.280 nan 0.000 0.524 394 K N -1.019 119.034 120.400 -0.578 0.000 2.097 394 K HA -0.205 4.115 4.320 0.000 0.000 0.206 394 K C 1.764 178.289 176.600 -0.125 0.000 1.049 394 K CA 1.409 57.323 56.287 -0.622 0.000 0.933 394 K CB -0.361 31.532 32.500 -1.012 0.000 0.717 394 K HN 0.352 nan 8.250 nan 0.000 0.442 395 W N 0.974 122.237 121.300 -0.063 0.000 2.465 395 W HA -0.082 4.578 4.660 0.000 0.000 0.268 395 W C 2.321 178.922 176.519 0.136 0.000 1.242 395 W CA 1.524 58.895 57.345 0.044 0.000 1.248 395 W CB -1.059 28.408 29.460 0.012 0.000 1.118 395 W HN 0.252 nan 8.180 nan 0.000 0.587 396 T N -2.909 111.830 114.554 0.308 0.000 2.942 396 T HA -0.110 4.240 4.350 0.000 0.000 0.265 396 T C 1.315 176.246 174.700 0.386 0.000 1.062 396 T CA 1.346 63.637 62.100 0.317 0.000 1.139 396 T CB -0.286 68.724 68.868 0.236 0.000 0.883 396 T HN -0.198 nan 8.240 nan 0.000 0.468 397 D N 1.492 122.079 120.400 0.312 0.000 2.117 397 D HA -0.030 4.610 4.640 0.000 0.000 0.197 397 D C 2.080 178.521 176.300 0.236 0.000 0.987 397 D CA 0.702 54.872 54.000 0.282 0.000 0.829 397 D CB -0.206 40.770 40.800 0.292 0.000 0.961 397 D HN 0.326 nan 8.370 nan 0.000 0.460 398 I N 0.304 121.039 120.570 0.274 0.000 2.163 398 I HA -0.223 3.947 4.170 0.000 0.000 0.240 398 I C 2.428 178.760 176.117 0.359 0.000 1.081 398 I CA 0.755 62.192 61.300 0.228 0.000 1.353 398 I CB -1.275 36.873 38.000 0.247 0.000 1.054 398 I HN 0.310 nan 8.210 nan 0.000 0.407 399 W N 2.638 124.107 121.300 0.282 0.000 2.290 399 W HA -0.353 4.307 4.660 0.000 0.000 0.328 399 W C 2.580 179.377 176.519 0.464 0.000 1.272 399 W CA 2.927 60.499 57.345 0.379 0.000 1.262 399 W CB -0.458 29.210 29.460 0.346 0.000 1.151 399 W HN 0.184 nan 8.180 nan 0.000 0.473 400 A N -0.022 123.221 122.820 0.706 0.000 1.940 400 A HA -0.255 4.065 4.320 0.000 0.000 0.219 400 A C 1.937 179.886 177.584 0.608 0.000 1.176 400 A CA 1.770 54.229 52.037 0.704 0.000 0.631 400 A CB -1.551 17.894 19.000 0.743 0.000 0.814 400 A HN 0.469 nan 8.150 nan 0.000 0.446 401 F N 0.941 121.042 119.950 0.251 0.000 2.102 401 F HA -0.008 4.519 4.527 0.000 0.000 0.298 401 F C 2.368 178.241 175.800 0.121 0.000 1.105 401 F CA 1.548 59.604 58.000 0.093 0.000 1.239 401 F CB -0.669 38.176 39.000 -0.258 0.000 0.991 401 F HN 0.231 nan 8.300 nan 0.000 0.474 402 G N 0.892 109.799 108.800 0.180 0.000 2.469 402 G HA2 -0.284 3.676 3.960 0.000 0.000 0.219 402 G HA3 -0.284 3.676 3.960 0.000 0.000 0.219 402 G C 1.734 176.741 174.900 0.177 0.000 1.150 402 G CA 1.374 46.380 45.100 -0.158 0.000 0.763 402 G HN 0.443 nan 8.290 nan 0.000 0.561 403 L N 0.396 121.859 121.223 0.401 0.000 2.083 403 L HA -0.034 4.306 4.340 0.000 0.000 0.209 403 L C 3.305 180.391 176.870 0.360 0.000 1.083 403 L CA 1.135 56.183 54.840 0.347 0.000 0.752 403 L CB -0.596 41.543 42.059 0.134 0.000 0.899 403 L HN 0.236 nan 8.230 nan 0.000 0.433 404 V N -0.654 119.444 119.914 0.307 0.000 2.515 404 V HA -0.221 3.899 4.120 0.000 0.000 0.250 404 V C 2.321 178.444 176.094 0.049 0.000 1.058 404 V CA 1.910 64.331 62.300 0.202 0.000 1.064 404 V CB -0.391 31.514 31.823 0.135 0.000 0.675 404 V HN 0.213 nan 8.190 nan 0.000 0.461 405 L N -2.075 119.101 121.223 -0.079 0.000 2.017 405 L HA -0.196 4.144 4.340 0.000 0.000 0.208 405 L C 2.475 179.380 176.870 0.059 0.000 1.073 405 L CA 2.302 57.091 54.840 -0.085 0.000 0.745 405 L CB -0.543 41.435 42.059 -0.135 0.000 0.894 405 L HN 0.797 nan 8.230 nan 0.000 0.432 406 W N 1.551 122.854 121.300 0.005 0.000 2.302 406 W HA -0.284 4.376 4.660 0.000 0.000 0.320 406 W C 2.475 178.990 176.519 -0.006 0.000 1.241 406 W CA 2.195 59.569 57.345 0.048 0.000 1.264 406 W CB -0.153 29.395 29.460 0.147 0.000 1.154 406 W HN 0.124 nan 8.180 nan 0.000 0.483 407 E N -0.201 120.143 120.200 0.240 0.000 2.085 407 E HA -0.270 4.081 4.350 0.000 0.000 0.194 407 E C 2.099 178.663 176.600 -0.059 0.000 0.994 407 E CA 1.915 58.353 56.400 0.063 0.000 0.801 407 E CB -0.532 29.348 29.700 0.300 0.000 0.743 407 E HN 0.419 nan 8.360 nan 0.000 0.453 408 I N 1.008 121.563 120.570 -0.025 0.000 2.202 408 I HA -0.245 3.925 4.170 0.000 0.000 0.242 408 I C 2.616 178.656 176.117 -0.128 0.000 1.091 408 I CA 0.884 62.154 61.300 -0.050 0.000 1.368 408 I CB -0.375 37.602 38.000 -0.038 0.000 1.058 408 I HN 0.074 nan 8.210 nan 0.000 0.410 409 A N 0.973 123.690 122.820 -0.172 0.000 1.883 409 A HA -0.278 4.042 4.320 0.000 0.000 0.217 409 A C 2.430 179.837 177.584 -0.296 0.000 1.186 409 A CA 2.035 53.948 52.037 -0.206 0.000 0.624 409 A CB -0.769 18.114 19.000 -0.195 0.000 0.822 409 A HN 0.379 nan 8.150 nan 0.000 0.444 410 R N -1.063 119.137 120.500 -0.500 0.000 2.127 410 R HA -0.129 4.211 4.340 0.000 0.000 0.238 410 R C 1.689 177.789 176.300 -0.334 0.000 1.134 410 R CA 1.687 57.455 56.100 -0.554 0.000 0.975 410 R CB -0.122 29.624 30.300 -0.923 0.000 0.865 410 R HN 0.279 nan 8.270 nan 0.000 0.447 411 R N 0.186 120.536 120.500 -0.250 0.000 2.391 411 R HA 0.135 4.475 4.340 0.000 0.000 0.249 411 R C -0.858 175.361 176.300 -0.135 0.000 0.957 411 R CA 0.270 56.271 56.100 -0.165 0.000 1.093 411 R CB 0.336 30.571 30.300 -0.108 0.000 1.156 411 R HN 0.045 nan 8.270 nan 0.000 0.526 412 T N 0.292 114.765 114.554 -0.135 0.000 2.824 412 T HA 0.416 4.766 4.350 0.000 0.000 0.280 412 T C 0.121 174.768 174.700 -0.088 0.000 0.995 412 T CA -0.518 61.523 62.100 -0.099 0.000 1.009 412 T CB 1.563 70.378 68.868 -0.088 0.000 0.955 412 T HN 0.014 nan 8.240 nan 0.000 0.452 413 I N 3.212 123.740 120.570 -0.069 0.000 2.363 413 I HA 0.260 4.430 4.170 0.000 0.000 0.292 413 I C -0.371 175.719 176.117 -0.046 0.000 1.075 413 I CA -0.410 60.854 61.300 -0.059 0.000 1.333 413 I CB 0.440 38.408 38.000 -0.052 0.000 1.415 413 I HN 0.213 nan 8.210 nan 0.000 0.502 414 V N 6.894 126.779 119.914 -0.048 0.000 2.448 414 V HA 0.321 4.441 4.120 0.000 0.000 0.295 414 V C 0.786 176.860 176.094 -0.033 0.000 1.025 414 V CA -0.511 61.767 62.300 -0.037 0.000 0.859 414 V CB 1.289 33.087 31.823 -0.041 0.000 0.988 414 V HN 0.917 nan 8.190 nan 0.000 0.431 415 N N 3.235 121.920 118.700 -0.026 0.000 2.900 415 N HA -0.225 4.515 4.740 0.000 0.000 0.240 415 N C 1.152 176.648 175.510 -0.024 0.000 0.953 415 N CA 1.771 54.807 53.050 -0.023 0.000 0.950 415 N CB -0.731 37.743 38.487 -0.022 0.000 1.102 415 N HN 1.546 nan 8.380 nan 0.000 0.593 416 G N -1.068 107.715 108.800 -0.029 0.000 2.175 416 G HA2 -0.284 3.676 3.960 0.000 0.000 0.244 416 G HA3 -0.284 3.676 3.960 0.000 0.000 0.244 416 G C 0.005 174.883 174.900 -0.037 0.000 0.982 416 G CA 0.555 45.637 45.100 -0.030 0.000 0.641 416 G HN 0.398 nan 8.290 nan 0.000 0.527 417 I N -0.106 120.439 120.570 -0.040 0.000 2.648 417 I HA 0.799 4.969 4.170 0.000 0.000 0.304 417 I C 0.049 176.130 176.117 -0.060 0.000 1.009 417 I CA -1.287 59.984 61.300 -0.047 0.000 1.114 417 I CB 2.188 40.163 38.000 -0.041 0.000 1.293 417 I HN 0.276 nan 8.210 nan 0.000 0.449 418 V N 4.109 123.981 119.914 -0.071 0.000 2.777 418 V HA 0.460 4.580 4.120 0.000 0.000 0.306 418 V C -0.626 175.408 176.094 -0.101 0.000 1.112 418 V CA -0.461 61.785 62.300 -0.091 0.000 0.917 418 V CB 1.901 33.666 31.823 -0.097 0.000 1.018 418 V HN 0.729 nan 8.190 nan 0.000 0.426 419 E N 3.368 123.492 120.200 -0.126 0.000 2.398 419 E HA 0.151 4.501 4.350 0.000 0.000 0.263 419 E C -0.641 175.871 176.600 -0.147 0.000 1.046 419 E CA -0.040 56.277 56.400 -0.138 0.000 0.908 419 E CB 0.733 30.327 29.700 -0.177 0.000 0.963 419 E HN 0.724 nan 8.360 nan 0.000 0.431 420 D N 0.682 121.002 120.400 -0.134 0.000 2.382 420 D HA -0.027 4.613 4.640 0.000 0.000 0.240 420 D C -0.263 175.942 176.300 -0.159 0.000 1.146 420 D CA 0.081 54.011 54.000 -0.117 0.000 0.897 420 D CB 0.205 40.950 40.800 -0.091 0.000 1.197 420 D HN 0.284 nan 8.370 nan 0.000 0.432 421 Y N 2.239 122.406 120.300 -0.221 0.000 2.610 421 Y HA 0.070 4.620 4.550 0.000 0.000 0.332 421 Y C 0.080 175.829 175.900 -0.252 0.000 1.201 421 Y CA 0.524 58.477 58.100 -0.245 0.000 1.465 421 Y CB 0.368 38.676 38.460 -0.254 0.000 1.283 421 Y HN 0.103 nan 8.280 nan 0.000 0.563 422 R N 6.837 126.687 120.500 -1.084 0.000 2.725 422 R HA 0.402 4.742 4.340 0.000 0.000 0.277 422 R C -2.862 172.931 176.300 -0.845 0.000 0.987 422 R CA -2.098 53.475 56.100 -0.878 0.000 0.901 422 R CB 1.775 31.386 30.300 -1.148 0.000 1.207 422 R HN 0.493 nan 8.270 nan 0.000 0.463 423 P HA 0.263 nan 4.420 nan 0.000 0.274 423 P C -2.575 174.794 177.300 0.116 0.000 1.246 423 P CA -1.695 61.453 63.100 0.080 0.000 0.795 423 P CB -0.303 31.567 31.700 0.284 0.000 1.006 424 P HA 0.034 nan 4.420 nan 0.000 0.266 424 P C -0.245 176.855 177.300 -0.333 0.000 1.195 424 P CA 0.476 63.227 63.100 -0.582 0.000 0.768 424 P CB -0.364 30.956 31.700 -0.633 0.000 0.838 425 F N -0.401 119.278 119.950 -0.452 0.000 3.034 425 F HA -0.270 4.257 4.527 0.000 0.000 0.286 425 F C 1.398 177.101 175.800 -0.161 0.000 0.804 425 F CA 0.837 58.651 58.000 -0.309 0.000 1.161 425 F CB -3.074 35.772 39.000 -0.258 0.000 1.317 425 F HN 0.456 nan 8.300 nan 0.000 0.453 426 Y N -0.517 119.748 120.300 -0.057 0.000 2.315 426 Y HA 0.011 4.561 4.550 0.000 0.000 0.288 426 Y C 1.604 177.514 175.900 0.016 0.000 1.154 426 Y CA 1.583 59.690 58.100 0.011 0.000 1.229 426 Y CB -1.123 37.350 38.460 0.023 0.000 0.980 426 Y HN 0.326 nan 8.280 nan 0.000 0.540 427 D N 0.696 120.704 120.400 -0.652 0.000 2.339 427 D HA 0.303 4.943 4.640 0.000 0.000 0.217 427 D C 1.392 177.548 176.300 -0.240 0.000 1.050 427 D CA 0.996 54.650 54.000 -0.577 0.000 0.856 427 D CB -0.240 40.110 40.800 -0.749 0.000 0.922 427 D HN 0.477 nan 8.370 nan 0.000 0.518 428 V N -2.781 117.053 119.914 -0.134 0.000 3.411 428 V HA 0.426 4.546 4.120 0.000 0.000 0.287 428 V C 0.577 176.639 176.094 -0.053 0.000 1.543 428 V CA 0.376 62.630 62.300 -0.076 0.000 1.028 428 V CB -0.012 31.781 31.823 -0.051 0.000 0.840 428 V HN 0.625 nan 8.190 nan 0.000 0.435 429 V N -2.106 117.795 119.914 -0.022 0.000 3.007 429 V HA 0.833 4.953 4.120 0.000 0.000 0.311 429 V C -2.823 173.285 176.094 0.023 0.000 1.120 429 V CA -1.963 60.327 62.300 -0.016 0.000 0.980 429 V CB 1.985 33.785 31.823 -0.038 0.000 1.033 429 V HN 0.129 nan 8.190 nan 0.000 0.429 430 P HA 0.164 nan 4.420 nan 0.000 0.272 430 P C 0.870 178.213 177.300 0.071 0.000 1.240 430 P CA 0.007 63.134 63.100 0.045 0.000 0.791 430 P CB 0.499 32.218 31.700 0.033 0.000 0.978 431 N N 1.261 120.011 118.700 0.084 0.000 2.139 431 N HA -0.240 4.500 4.740 0.000 0.000 0.193 431 N C -0.185 175.389 175.510 0.106 0.000 0.975 431 N CA 1.971 55.083 53.050 0.104 0.000 0.893 431 N CB -0.718 37.823 38.487 0.090 0.000 1.073 431 N HN 0.422 nan 8.380 nan 0.000 0.661 432 D N 1.727 122.178 120.400 0.085 0.000 2.505 432 D HA 0.312 4.952 4.640 0.000 0.000 0.242 432 D C -2.205 174.141 176.300 0.077 0.000 1.136 432 D CA -1.128 52.924 54.000 0.086 0.000 0.954 432 D CB 0.913 41.757 40.800 0.073 0.000 1.002 432 D HN 0.341 nan 8.370 nan 0.000 0.512 433 P HA 0.027 nan 4.420 nan 0.000 0.268 433 P C 0.317 177.656 177.300 0.064 0.000 1.204 433 P CA -0.255 62.876 63.100 0.052 0.000 0.768 433 P CB 0.995 32.715 31.700 0.034 0.000 0.842 434 S N 2.197 117.926 115.700 0.049 0.000 2.633 434 S HA 0.129 4.599 4.470 0.000 0.000 0.257 434 S C 0.813 175.474 174.600 0.103 0.000 1.265 434 S CA -0.335 57.913 58.200 0.080 0.000 0.980 434 S CB -0.041 63.194 63.200 0.057 0.000 1.017 434 S HN 0.467 nan 8.310 nan 0.000 0.577 435 F N 0.787 120.734 119.950 -0.005 0.000 2.619 435 F HA 0.300 4.827 4.527 0.000 0.000 0.293 435 F C 2.453 178.233 175.800 -0.034 0.000 1.119 435 F CA 1.028 59.019 58.000 -0.015 0.000 1.445 435 F CB -0.985 38.015 39.000 0.000 0.000 1.119 435 F HN 0.752 nan 8.300 nan 0.000 0.573 436 E N 0.363 120.459 120.200 -0.174 0.000 2.112 436 E HA -0.142 4.208 4.350 0.000 0.000 0.190 436 E C 1.690 178.154 176.600 -0.226 0.000 0.979 436 E CA 1.511 57.768 56.400 -0.239 0.000 0.814 436 E CB -1.051 28.607 29.700 -0.070 0.000 0.762 436 E HN 0.458 nan 8.360 nan 0.000 0.460 437 D N 0.047 120.356 120.400 -0.151 0.000 2.104 437 D HA -0.145 4.495 4.640 0.000 0.000 0.194 437 D C 2.004 178.173 176.300 -0.218 0.000 0.994 437 D CA 1.508 55.422 54.000 -0.143 0.000 0.830 437 D CB -0.115 40.632 40.800 -0.088 0.000 0.959 437 D HN 0.289 nan 8.370 nan 0.000 0.452 438 M N 0.775 120.216 119.600 -0.265 0.000 2.156 438 M HA -0.086 4.394 4.480 0.000 0.000 0.264 438 M C 2.543 178.614 176.300 -0.381 0.000 1.067 438 M CA 1.116 56.211 55.300 -0.341 0.000 1.131 438 M CB -1.177 31.254 32.600 -0.281 0.000 1.368 438 M HN 0.026 nan 8.290 nan 0.000 0.416 439 K N 1.233 121.351 120.400 -0.471 0.000 2.044 439 K HA -0.224 4.096 4.320 0.000 0.000 0.210 439 K C 2.032 178.465 176.600 -0.280 0.000 1.049 439 K CA 2.310 58.337 56.287 -0.433 0.000 0.927 439 K CB -1.210 30.960 32.500 -0.551 0.000 0.713 439 K HN 0.532 nan 8.250 nan 0.000 0.443 440 K N -0.095 120.160 120.400 -0.243 0.000 2.026 440 K HA -0.085 4.235 4.320 0.000 0.000 0.208 440 K C 2.152 178.652 176.600 -0.166 0.000 1.048 440 K CA 1.524 57.708 56.287 -0.172 0.000 0.929 440 K CB -0.290 32.125 32.500 -0.142 0.000 0.713 440 K HN 0.162 nan 8.250 nan 0.000 0.439 441 V N 0.618 120.406 119.914 -0.209 0.000 2.307 441 V HA -0.187 3.933 4.120 0.000 0.000 0.245 441 V C 2.267 178.241 176.094 -0.200 0.000 1.045 441 V CA 1.496 63.670 62.300 -0.210 0.000 1.024 441 V CB 0.087 31.730 31.823 -0.300 0.000 0.651 441 V HN 0.196 nan 8.190 nan 0.000 0.449 442 V N -1.577 118.178 119.914 -0.264 0.000 2.649 442 V HA -0.136 3.984 4.120 0.000 0.000 0.248 442 V C 2.179 178.198 176.094 -0.125 0.000 1.054 442 V CA 1.755 63.944 62.300 -0.185 0.000 1.073 442 V CB 0.012 31.685 31.823 -0.250 0.000 0.699 442 V HN 0.622 nan 8.190 nan 0.000 0.463 443 C N -1.538 117.670 119.300 -0.153 0.000 2.480 443 C HA 0.142 4.603 4.460 0.000 0.000 0.304 443 C C 2.609 177.546 174.990 -0.088 0.000 1.399 443 C CA 0.121 59.067 59.018 -0.120 0.000 1.900 443 C CB -0.067 27.589 27.740 -0.141 0.000 2.194 443 C HN 0.338 nan 8.230 nan 0.000 0.550 444 V N 1.861 121.716 119.914 -0.098 0.000 2.283 444 V HA -0.152 3.968 4.120 0.000 0.000 0.243 444 V C 1.786 177.844 176.094 -0.058 0.000 1.039 444 V CA 2.251 64.507 62.300 -0.074 0.000 1.016 444 V CB -0.658 31.117 31.823 -0.080 0.000 0.650 444 V HN 0.458 nan 8.190 nan 0.000 0.449 445 D N -0.228 120.132 120.400 -0.066 0.000 2.355 445 D HA 0.129 4.769 4.640 0.000 0.000 0.218 445 D C 1.645 177.927 176.300 -0.030 0.000 1.004 445 D CA 1.054 55.024 54.000 -0.049 0.000 0.880 445 D CB -0.304 40.461 40.800 -0.058 0.000 0.911 445 D HN 0.585 nan 8.370 nan 0.000 0.528 446 Q N -1.401 118.383 119.800 -0.027 0.000 2.457 446 Q HA -0.207 4.133 4.340 0.000 0.000 0.283 446 Q C 0.494 176.511 176.000 0.029 0.000 1.234 446 Q CA 1.625 57.433 55.803 0.008 0.000 0.877 446 Q CB -2.914 25.833 28.738 0.015 0.000 1.250 446 Q HN 0.668 nan 8.270 nan 0.000 0.481 447 Q N -0.201 119.612 119.800 0.022 0.000 2.293 447 Q HA 0.757 5.097 4.340 0.000 0.000 0.251 447 Q C 0.630 176.684 176.000 0.090 0.000 0.930 447 Q CA 0.286 56.111 55.803 0.037 0.000 0.893 447 Q CB 0.973 29.735 28.738 0.040 0.000 1.215 447 Q HN 1.910 nan 8.270 nan 0.000 0.425 448 T N -0.562 113.934 114.554 -0.097 0.000 2.906 448 T HA 0.765 5.115 4.350 0.000 0.000 0.295 448 T C -2.666 171.595 174.700 -0.732 0.000 1.075 448 T CA -1.885 59.934 62.100 -0.468 0.000 1.005 448 T CB 1.378 69.917 68.868 -0.549 0.000 1.136 448 T HN 0.521 nan 8.240 nan 0.000 0.498 449 P HA 0.259 nan 4.420 nan 0.000 0.267 449 P C -0.328 176.612 177.300 -0.600 0.000 1.200 449 P CA -0.185 62.142 63.100 -1.288 0.000 0.772 449 P CB 0.096 30.509 31.700 -2.146 0.000 0.855 450 T N 3.537 117.964 114.554 -0.211 0.000 2.761 450 T HA 0.272 4.622 4.350 0.000 0.000 0.296 450 T C 0.507 175.402 174.700 0.324 0.000 0.934 450 T CA -0.064 62.074 62.100 0.063 0.000 1.091 450 T CB -0.346 68.554 68.868 0.053 0.000 0.896 450 T HN 0.131 nan 8.240 nan 0.000 0.515 451 I N 6.899 127.619 120.570 0.249 0.000 2.363 451 I HA 0.227 4.397 4.170 0.000 0.000 0.292 451 I C -1.848 174.350 176.117 0.135 0.000 1.075 451 I CA -2.062 59.391 61.300 0.255 0.000 1.333 451 I CB 0.067 38.191 38.000 0.206 0.000 1.415 451 I HN 0.371 nan 8.210 nan 0.000 0.502 452 P HA 0.102 nan 4.420 nan 0.000 0.262 452 P C 1.041 178.355 177.300 0.024 0.000 1.199 452 P CA 0.236 63.356 63.100 0.034 0.000 0.763 452 P CB 0.270 31.955 31.700 -0.025 0.000 0.790 453 N N 3.943 122.659 118.700 0.026 0.000 2.396 453 N HA -0.277 4.463 4.740 0.000 0.000 0.191 453 N C 1.590 177.104 175.510 0.006 0.000 1.015 453 N CA 1.718 54.779 53.050 0.018 0.000 0.893 453 N CB -0.811 37.686 38.487 0.016 0.000 0.956 453 N HN 0.563 nan 8.380 nan 0.000 0.445 454 R N 0.265 120.763 120.500 -0.004 0.000 2.313 454 R HA 0.163 4.503 4.340 0.000 0.000 0.199 454 R C 0.521 176.809 176.300 -0.020 0.000 0.958 454 R CA 0.125 56.216 56.100 -0.014 0.000 1.047 454 R CB -0.259 30.027 30.300 -0.023 0.000 0.955 454 R HN 0.503 nan 8.270 nan 0.000 0.481 455 L N 0.633 121.847 121.223 -0.015 0.000 2.688 455 L HA 0.273 4.613 4.340 0.000 0.000 0.234 455 L C 1.522 178.386 176.870 -0.011 0.000 1.192 455 L CA 0.029 54.857 54.840 -0.019 0.000 0.984 455 L CB 0.454 42.499 42.059 -0.022 0.000 1.232 455 L HN 0.256 nan 8.230 nan 0.000 0.465 456 A N -0.006 122.810 122.820 -0.006 0.000 1.997 456 A HA 0.306 4.626 4.320 0.000 0.000 0.212 456 A C 2.117 179.699 177.584 -0.003 0.000 1.178 456 A CA 1.039 53.075 52.037 -0.002 0.000 0.698 456 A CB 0.095 19.096 19.000 0.002 0.000 0.842 456 A HN 0.333 nan 8.150 nan 0.000 0.458 457 A N -1.057 121.760 122.820 -0.006 0.000 2.343 457 A HA 0.472 4.792 4.320 0.000 0.000 0.223 457 A C 0.792 178.372 177.584 -0.006 0.000 1.214 457 A CA 0.947 52.981 52.037 -0.005 0.000 0.900 457 A CB -0.494 18.503 19.000 -0.005 0.000 0.942 457 A HN 0.500 nan 8.150 nan 0.000 0.507 458 D N 1.311 121.705 120.400 -0.009 0.000 2.412 458 D HA 0.464 5.104 4.640 0.000 0.000 0.224 458 D C -1.478 174.819 176.300 -0.005 0.000 1.093 458 D CA -1.541 52.455 54.000 -0.008 0.000 0.850 458 D CB 0.338 41.131 40.800 -0.013 0.000 1.046 458 D HN 0.098 nan 8.370 nan 0.000 0.507 459 P HA -0.227 nan 4.420 nan 0.000 0.218 459 P C 1.867 179.168 177.300 0.002 0.000 1.154 459 P CA 0.756 63.857 63.100 0.001 0.000 0.872 459 P CB 0.290 31.993 31.700 0.004 0.000 0.790 460 V N -0.388 119.529 119.914 0.005 0.000 2.407 460 V HA -0.193 3.927 4.120 0.000 0.000 0.248 460 V C 2.607 178.698 176.094 -0.005 0.000 1.055 460 V CA 1.593 63.896 62.300 0.006 0.000 1.049 460 V CB -1.076 30.755 31.823 0.014 0.000 0.662 460 V HN 0.050 nan 8.190 nan 0.000 0.455 461 L N -0.792 120.423 121.223 -0.013 0.000 2.418 461 L HA 0.007 4.347 4.340 0.000 0.000 0.218 461 L C 2.538 179.396 176.870 -0.020 0.000 1.125 461 L CA 0.938 55.764 54.840 -0.024 0.000 0.835 461 L CB -0.486 41.554 42.059 -0.031 0.000 0.953 461 L HN 0.289 nan 8.230 nan 0.000 0.454 462 S N 0.504 116.196 115.700 -0.013 0.000 2.355 462 S HA -0.115 4.355 4.470 0.000 0.000 0.222 462 S C 2.056 176.648 174.600 -0.014 0.000 1.031 462 S CA 1.515 59.709 58.200 -0.010 0.000 0.993 462 S CB -0.329 62.868 63.200 -0.005 0.000 0.859 462 S HN 0.501 nan 8.310 nan 0.000 0.453 463 G N 1.825 110.618 108.800 -0.012 0.000 2.453 463 G HA2 -0.133 3.827 3.960 0.000 0.000 0.215 463 G HA3 -0.133 3.827 3.960 0.000 0.000 0.215 463 G C 1.400 176.283 174.900 -0.027 0.000 1.201 463 G CA 1.018 46.109 45.100 -0.014 0.000 0.784 463 G HN 0.516 nan 8.290 nan 0.000 0.545 464 L N 0.985 122.192 121.223 -0.027 0.000 2.043 464 L HA -0.149 4.191 4.340 0.000 0.000 0.212 464 L C 3.424 180.250 176.870 -0.073 0.000 1.075 464 L CA 1.248 56.063 54.840 -0.041 0.000 0.752 464 L CB -0.562 41.475 42.059 -0.036 0.000 0.891 464 L HN 0.305 nan 8.230 nan 0.000 0.432 465 A N -0.398 122.389 122.820 -0.054 0.000 1.883 465 A HA -0.298 4.022 4.320 0.000 0.000 0.217 465 A C 2.261 179.791 177.584 -0.090 0.000 1.186 465 A CA 2.060 54.067 52.037 -0.051 0.000 0.624 465 A CB -0.567 18.424 19.000 -0.014 0.000 0.822 465 A HN 0.417 nan 8.150 nan 0.000 0.444 466 Q N -0.663 119.093 119.800 -0.072 0.000 2.119 466 Q HA -0.029 4.311 4.340 0.000 0.000 0.201 466 Q C 1.991 177.908 176.000 -0.138 0.000 0.972 466 Q CA 1.953 57.709 55.803 -0.079 0.000 0.847 466 Q CB -0.392 28.323 28.738 -0.038 0.000 0.903 466 Q HN 0.669 nan 8.270 nan 0.000 0.433 467 M N -1.015 118.503 119.600 -0.135 0.000 2.175 467 M HA -0.145 4.335 4.480 0.000 0.000 0.264 467 M C 2.003 178.104 176.300 -0.332 0.000 1.063 467 M CA 1.301 56.503 55.300 -0.163 0.000 1.119 467 M CB -0.104 32.448 32.600 -0.080 0.000 1.377 467 M HN 0.324 nan 8.290 nan 0.000 0.415 468 M N -0.371 118.962 119.600 -0.445 0.000 2.065 468 M HA -0.272 4.208 4.480 0.000 0.000 0.259 468 M C 2.725 178.304 176.300 -1.203 0.000 1.069 468 M CA 2.378 57.092 55.300 -0.978 0.000 1.110 468 M CB -0.854 31.248 32.600 -0.831 0.000 1.328 468 M HN 0.370 nan 8.290 nan 0.000 0.405 469 R N 1.009 121.152 120.500 -0.594 0.000 2.117 469 R HA -0.164 4.176 4.340 0.000 0.000 0.243 469 R C 1.548 177.476 176.300 -0.619 0.000 1.143 469 R CA 2.202 58.078 56.100 -0.373 0.000 0.968 469 R CB -1.773 28.413 30.300 -0.189 0.000 0.863 469 R HN 0.650 nan 8.270 nan 0.000 0.444 470 E N -0.975 118.874 120.200 -0.585 0.000 2.489 470 E HA 0.043 4.393 4.350 0.000 0.000 0.193 470 E C 1.572 177.956 176.600 -0.359 0.000 1.057 470 E CA 0.384 56.417 56.400 -0.613 0.000 0.866 470 E CB -0.056 29.545 29.700 -0.165 0.000 0.916 470 E HN 0.627 nan 8.360 nan 0.000 0.500 471 C N 0.095 119.130 119.300 -0.441 0.000 2.563 471 C HA 0.034 4.494 4.460 0.000 0.000 0.268 471 C C 1.164 176.114 174.990 -0.066 0.000 1.365 471 C CA -0.292 58.560 59.018 -0.277 0.000 1.754 471 C CB -0.559 26.903 27.740 -0.464 0.000 1.932 471 C HN 0.587 nan 8.230 nan 0.000 0.536 472 W N -0.784 120.406 121.300 -0.183 0.000 3.123 472 W HA 0.370 5.030 4.660 0.000 0.000 0.383 472 W C -0.064 176.548 176.519 0.156 0.000 1.102 472 W CA -1.248 56.029 57.345 -0.112 0.000 1.865 472 W CB -1.249 27.986 29.460 -0.375 0.000 1.111 472 W HN 0.251 nan 8.180 nan 0.000 0.621 473 Y N 2.724 123.217 120.300 0.322 0.000 2.721 473 Y HA 0.012 4.562 4.550 0.000 0.000 0.329 473 Y C -0.844 175.192 175.900 0.227 0.000 1.211 473 Y CA -1.417 56.808 58.100 0.209 0.000 1.512 473 Y CB -0.308 38.203 38.460 0.084 0.000 1.249 473 Y HN -0.162 nan 8.280 nan 0.000 0.549 474 P HA -0.141 nan 4.420 nan 0.000 0.216 474 P C 0.271 177.613 177.300 0.070 0.000 1.150 474 P CA 1.834 65.042 63.100 0.179 0.000 0.837 474 P CB 0.071 31.844 31.700 0.121 0.000 0.786 475 N N 0.116 118.838 118.700 0.037 0.000 2.402 475 N HA 0.133 4.873 4.740 0.000 0.000 0.252 475 N C -1.810 173.608 175.510 -0.155 0.000 1.118 475 N CA -1.246 51.757 53.050 -0.078 0.000 0.945 475 N CB -0.732 37.686 38.487 -0.115 0.000 1.147 475 N HN 0.105 nan 8.380 nan 0.000 0.495 476 P HA -0.206 nan 4.420 nan 0.000 0.216 476 P C 1.517 178.184 177.300 -1.054 0.000 1.150 476 P CA 2.035 64.885 63.100 -0.417 0.000 0.843 476 P CB 0.251 31.775 31.700 -0.293 0.000 0.787 477 S N -1.128 113.884 115.700 -1.147 0.000 2.522 477 S HA 0.086 4.556 4.470 0.000 0.000 0.227 477 S C 1.919 176.222 174.600 -0.494 0.000 0.986 477 S CA 0.704 58.196 58.200 -1.181 0.000 0.929 477 S CB -0.957 61.785 63.200 -0.764 0.000 0.769 477 S HN 0.119 nan 8.310 nan 0.000 0.529 478 A N 1.436 124.050 122.820 -0.344 0.000 2.167 478 A HA 0.195 4.515 4.320 0.000 0.000 0.214 478 A C 1.238 178.831 177.584 0.016 0.000 1.151 478 A CA -0.092 51.817 52.037 -0.213 0.000 0.735 478 A CB -0.192 18.590 19.000 -0.364 0.000 0.802 478 A HN 0.466 nan 8.150 nan 0.000 0.467 479 R N -0.485 120.036 120.500 0.036 0.000 2.582 479 R HA 0.460 4.800 4.340 0.000 0.000 0.271 479 R C -0.396 175.995 176.300 0.152 0.000 1.078 479 R CA -0.509 55.702 56.100 0.185 0.000 1.127 479 R CB 0.464 30.861 30.300 0.162 0.000 1.038 479 R HN 0.308 nan 8.270 nan 0.000 0.500 480 L N 1.267 122.567 121.223 0.129 0.000 2.467 480 L HA 0.069 4.409 4.340 0.000 0.000 0.270 480 L C 1.100 178.031 176.870 0.102 0.000 1.205 480 L CA 0.047 54.938 54.840 0.085 0.000 0.828 480 L CB 0.469 42.538 42.059 0.016 0.000 1.101 480 L HN 0.773 nan 8.230 nan 0.000 0.479 481 T N -1.120 113.484 114.554 0.083 0.000 2.874 481 T HA 0.391 4.742 4.350 0.000 0.000 0.281 481 T C 1.025 175.691 174.700 -0.056 0.000 0.994 481 T CA -0.239 61.905 62.100 0.074 0.000 1.015 481 T CB 1.600 70.519 68.868 0.086 0.000 1.028 481 T HN 0.636 nan 8.240 nan 0.000 0.523 482 A N 0.804 123.551 122.820 -0.120 0.000 1.933 482 A HA 0.026 4.346 4.320 0.000 0.000 0.218 482 A C 2.139 179.598 177.584 -0.209 0.000 1.175 482 A CA 1.417 53.265 52.037 -0.314 0.000 0.628 482 A CB -1.031 17.685 19.000 -0.473 0.000 0.814 482 A HN 0.813 nan 8.150 nan 0.000 0.444 483 L N -0.345 120.819 121.223 -0.097 0.000 2.017 483 L HA -0.123 4.217 4.340 0.000 0.000 0.208 483 L C 2.430 179.274 176.870 -0.043 0.000 1.073 483 L CA 2.456 57.266 54.840 -0.050 0.000 0.745 483 L CB -0.574 41.483 42.059 -0.003 0.000 0.894 483 L HN 0.410 nan 8.230 nan 0.000 0.432 484 R N -0.346 120.134 120.500 -0.034 0.000 2.096 484 R HA -0.100 4.240 4.340 0.000 0.000 0.235 484 R C 2.172 178.446 176.300 -0.043 0.000 1.127 484 R CA 1.822 57.910 56.100 -0.021 0.000 0.968 484 R CB -0.505 29.795 30.300 0.000 0.000 0.861 484 R HN 0.495 nan 8.270 nan 0.000 0.440 485 I N 0.492 121.006 120.570 -0.093 0.000 2.142 485 I HA -0.291 3.879 4.170 0.000 0.000 0.240 485 I C 2.452 178.524 176.117 -0.074 0.000 1.078 485 I CA 1.525 62.760 61.300 -0.108 0.000 1.343 485 I CB -0.413 37.442 38.000 -0.242 0.000 1.046 485 I HN 0.246 nan 8.210 nan 0.000 0.405 486 K N 1.622 121.963 120.400 -0.099 0.000 2.015 486 K HA -0.283 4.037 4.320 0.000 0.000 0.216 486 K C 2.139 178.732 176.600 -0.012 0.000 1.052 486 K CA 2.006 58.265 56.287 -0.046 0.000 0.937 486 K CB -0.078 32.393 32.500 -0.047 0.000 0.719 486 K HN 0.191 nan 8.250 nan 0.000 0.446 487 K N -0.351 120.041 120.400 -0.012 0.000 2.032 487 K HA -0.114 4.206 4.320 0.000 0.000 0.209 487 K C 2.215 178.818 176.600 0.005 0.000 1.048 487 K CA 2.091 58.379 56.287 0.002 0.000 0.927 487 K CB -0.271 32.232 32.500 0.004 0.000 0.712 487 K HN 0.256 nan 8.250 nan 0.000 0.441 488 T N 1.940 116.494 114.554 0.000 0.000 2.720 488 T HA -0.129 4.221 4.350 0.000 0.000 0.268 488 T C 1.786 176.493 174.700 0.011 0.000 1.037 488 T CA 1.199 63.302 62.100 0.004 0.000 1.144 488 T CB -0.186 68.681 68.868 -0.001 0.000 0.864 488 T HN 0.102 nan 8.240 nan 0.000 0.444 489 L N 0.402 121.634 121.223 0.015 0.000 2.376 489 L HA -0.032 4.308 4.340 0.000 0.000 0.219 489 L C 2.637 179.524 176.870 0.029 0.000 1.133 489 L CA 0.978 55.834 54.840 0.027 0.000 0.816 489 L CB -0.368 41.716 42.059 0.041 0.000 0.933 489 L HN 0.220 nan 8.230 nan 0.000 0.449 490 Q N -0.675 119.141 119.800 0.026 0.000 2.212 490 Q HA -0.084 4.256 4.340 0.000 0.000 0.199 490 Q C 2.125 178.140 176.000 0.024 0.000 0.950 490 Q CA 0.705 56.525 55.803 0.028 0.000 0.863 490 Q CB 0.191 28.945 28.738 0.026 0.000 0.944 490 Q HN 0.206 nan 8.270 nan 0.000 0.465 491 K N 0.720 121.132 120.400 0.019 0.000 2.044 491 K HA -0.168 4.152 4.320 0.000 0.000 0.210 491 K C 1.969 178.579 176.600 0.017 0.000 1.049 491 K CA 1.309 57.606 56.287 0.016 0.000 0.927 491 K CB -0.491 32.017 32.500 0.013 0.000 0.713 491 K HN 0.319 nan 8.250 nan 0.000 0.443 492 I N 1.103 121.684 120.570 0.019 0.000 2.315 492 I HA -0.224 3.946 4.170 0.000 0.000 0.251 492 I C 1.832 177.963 176.117 0.024 0.000 1.125 492 I CA 0.517 61.829 61.300 0.020 0.000 1.392 492 I CB -0.342 37.672 38.000 0.023 0.000 1.065 492 I HN 0.043 nan 8.210 nan 0.000 0.424 493 S N 0.000 115.717 115.700 0.029 0.000 2.498 493 S HA 0.000 4.470 4.470 0.000 0.000 0.327 493 S CA 0.000 58.219 58.200 0.032 0.000 1.107 493 S CB 0.000 63.228 63.200 0.047 0.000 0.593 493 S HN 0.000 nan 8.310 nan 0.000 0.517