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 1dko_1_A DATA FIRST_RESID 1 DATA SEQUENCE QSEPELKLES VVIVSRHGVR APTKATQLMQ DVTPDAWPTW PVKLGWLTPR DATA SEQUENCE GGELIAYLGH YQRQRLVADG LLAKKGcPQS GQVAIIADVD ERTRKTGEAF DATA SEQUENCE AAGLAPDcAI TVHTQTDTSS PDPLFNPLKT GVcQLDNANV TDAILSRAGG DATA SEQUENCE SIADFTGHRQ TAFRELERVL NFPQSNLcLK REKQDEScSL TQALPSELKV DATA SEQUENCE SADNVSLTGA VSLASMLTEI FLLQQAQGMP EPGWGRITDS HQWNTLLSLH DATA SEQUENCE NAQFYLLQRT PEVARSRATP LLDLIKTALT PHPPQKQAYG VTLPTSVLFI DATA SEQUENCE AGHDTNLANL GGALELNWTL PGQPDNTPPG GELVFERWRR LSDNSQWIQV DATA SEQUENCE SLVFQTLQQM RDKTPLSLNT PPGEVKLTLA GcEERNAQGM cSLAGFTQIV DATA SEQUENCE NEARIPAcSL 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 1 Q HA 0.000 nan 4.340 nan 0.000 0.214 1 Q C 0.000 175.999 176.000 -0.002 0.000 1.003 1 Q CA 0.000 55.802 55.803 -0.002 0.000 1.022 1 Q CB 0.000 28.737 28.738 -0.001 0.000 1.108 2 S N 1.801 117.499 115.700 -0.005 0.000 2.546 2 S HA 0.235 4.705 4.470 0.001 0.000 0.290 2 S C -0.052 174.546 174.600 -0.003 0.000 1.290 2 S CA 0.172 58.369 58.200 -0.006 0.000 1.069 2 S CB 0.368 63.561 63.200 -0.011 0.000 0.846 2 S HN 0.502 nan 8.310 nan 0.000 0.495 3 E N 2.326 122.526 120.200 -0.000 0.000 2.212 3 E HA 0.505 4.856 4.350 0.001 0.000 0.270 3 E C -2.466 174.139 176.600 0.008 0.000 0.956 3 E CA -2.106 54.298 56.400 0.007 0.000 0.825 3 E CB 0.481 30.187 29.700 0.010 0.000 1.167 3 E HN 0.256 nan 8.360 nan 0.000 0.400 4 P HA 0.041 nan 4.420 nan 0.000 0.264 4 P C -0.322 176.993 177.300 0.025 0.000 1.193 4 P CA 0.267 63.382 63.100 0.025 0.000 0.763 4 P CB 0.520 32.259 31.700 0.065 0.000 0.810 5 E N 2.375 122.574 120.200 -0.001 0.000 2.442 5 E HA 0.061 4.411 4.350 0.001 0.000 0.195 5 E C -0.004 176.610 176.600 0.023 0.000 1.030 5 E CA 0.237 56.635 56.400 -0.003 0.000 0.869 5 E CB 0.142 29.816 29.700 -0.043 0.000 0.857 5 E HN 0.186 nan 8.360 nan 0.000 0.505 6 L N 1.428 122.683 121.223 0.054 0.000 2.354 6 L HA 0.494 4.834 4.340 0.001 0.000 0.269 6 L C -0.645 176.426 176.870 0.335 0.000 1.005 6 L CA -0.708 54.231 54.840 0.165 0.000 0.819 6 L CB 1.905 43.995 42.059 0.052 0.000 1.311 6 L HN 0.014 nan 8.230 nan 0.000 0.423 7 K N 2.839 123.463 120.400 0.374 0.000 2.463 7 K HA 0.413 4.733 4.320 0.001 0.000 0.255 7 K C -1.053 175.613 176.600 0.109 0.000 0.942 7 K CA -0.606 55.833 56.287 0.253 0.000 0.814 7 K CB 1.852 34.423 32.500 0.119 0.000 1.122 7 K HN 0.551 nan 8.250 nan 0.000 0.425 8 L N 5.171 126.227 121.223 -0.279 0.000 2.500 8 L HA 0.082 4.422 4.340 0.001 0.000 0.272 8 L C 0.305 176.940 176.870 -0.390 0.000 1.149 8 L CA 0.714 55.045 54.840 -0.849 0.000 0.897 8 L CB 0.471 41.837 42.059 -1.155 0.000 1.178 8 L HN 0.901 nan 8.230 nan 0.000 0.473 9 E N 2.162 122.180 120.200 -0.303 0.000 2.539 9 E HA 0.116 4.467 4.350 0.001 0.000 0.215 9 E C -0.246 176.269 176.600 -0.142 0.000 0.965 9 E CA -0.037 56.269 56.400 -0.157 0.000 1.019 9 E CB 1.175 30.834 29.700 -0.069 0.000 1.059 9 E HN 0.469 nan 8.360 nan 0.000 0.496 10 S N 0.440 116.025 115.700 -0.192 0.000 2.548 10 S HA 0.366 4.836 4.470 0.001 0.000 0.278 10 S C -1.649 172.875 174.600 -0.126 0.000 1.150 10 S CA -0.574 57.552 58.200 -0.123 0.000 0.907 10 S CB 1.702 64.858 63.200 -0.073 0.000 1.108 10 S HN -0.059 nan 8.310 nan 0.000 0.459 11 V N 4.127 124.000 119.914 -0.069 0.000 2.638 11 V HA 0.672 4.792 4.120 0.001 0.000 0.306 11 V C -0.805 175.306 176.094 0.028 0.000 1.052 11 V CA -0.619 61.668 62.300 -0.022 0.000 0.885 11 V CB 1.906 33.718 31.823 -0.019 0.000 0.999 11 V HN 0.693 nan 8.190 nan 0.000 0.424 12 V N 6.190 126.145 119.914 0.068 0.000 2.443 12 V HA 0.532 4.653 4.120 0.001 0.000 0.293 12 V C -0.427 175.737 176.094 0.117 0.000 1.021 12 V CA -0.318 62.021 62.300 0.065 0.000 0.848 12 V CB 1.799 33.633 31.823 0.018 0.000 0.998 12 V HN 0.710 nan 8.190 nan 0.000 0.424 13 I N 5.254 125.834 120.570 0.016 0.000 2.362 13 I HA 0.429 4.599 4.170 0.001 0.000 0.289 13 I C -0.475 175.478 176.117 -0.273 0.000 0.994 13 I CA -0.780 60.474 61.300 -0.076 0.000 1.158 13 I CB 2.001 39.952 38.000 -0.082 0.000 1.315 13 I HN 0.259 nan 8.210 nan 0.000 0.451 14 V N 5.480 125.310 119.914 -0.139 0.000 2.333 14 V HA 0.293 4.414 4.120 0.001 0.000 0.274 14 V C 0.201 176.148 176.094 -0.244 0.000 1.028 14 V CA -0.174 62.020 62.300 -0.176 0.000 0.851 14 V CB 1.213 33.056 31.823 0.034 0.000 1.000 14 V HN 0.790 nan 8.190 nan 0.000 0.456 15 S N 5.575 121.011 115.700 -0.441 0.000 2.532 15 S HA 0.655 5.125 4.470 0.001 0.000 0.301 15 S C -0.281 174.197 174.600 -0.204 0.000 1.083 15 S CA -0.836 57.167 58.200 -0.328 0.000 1.025 15 S CB 1.501 64.425 63.200 -0.460 0.000 1.056 15 S HN 0.792 nan 8.310 nan 0.000 0.494 16 R N 1.784 122.201 120.500 -0.139 0.000 2.500 16 R HA 0.329 4.670 4.340 0.001 0.000 0.275 16 R C 0.078 176.245 176.300 -0.221 0.000 1.051 16 R CA -0.405 55.564 56.100 -0.218 0.000 1.088 16 R CB 0.281 30.444 30.300 -0.229 0.000 1.063 16 R HN 0.942 nan 8.270 nan 0.000 0.511 17 H N 0.584 119.610 119.070 -0.073 0.000 2.767 17 H HA 0.265 4.822 4.556 0.001 0.000 0.380 17 H C 0.571 175.907 175.328 0.014 0.000 1.409 17 H CA -0.070 55.951 56.048 -0.046 0.000 1.463 17 H CB 0.064 29.764 29.762 -0.104 0.000 1.514 17 H HN 0.718 nan 8.280 nan 0.000 0.619 18 G N -0.600 108.344 108.800 0.240 0.000 2.525 18 G HA2 0.351 4.311 3.960 0.001 0.000 0.287 18 G HA3 0.351 4.311 3.960 0.001 0.000 0.287 18 G C -0.567 174.478 174.900 0.242 0.000 1.350 18 G CA -0.528 44.681 45.100 0.181 0.000 1.039 18 G HN 0.648 nan 8.290 nan 0.000 0.513 19 V N 0.617 120.629 119.914 0.162 0.000 2.644 19 V HA 0.214 4.334 4.120 0.001 0.000 0.305 19 V C 0.775 176.954 176.094 0.142 0.000 1.053 19 V CA 0.702 63.100 62.300 0.163 0.000 1.186 19 V CB -0.192 31.738 31.823 0.179 0.000 0.895 19 V HN 0.925 nan 8.190 nan 0.000 0.490 20 R N 4.155 124.688 120.500 0.054 0.000 2.836 20 R HA 0.876 5.217 4.340 0.001 0.000 0.269 20 R C -0.567 175.490 176.300 -0.405 0.000 1.010 20 R CA -0.728 55.330 56.100 -0.070 0.000 0.930 20 R CB 1.710 31.930 30.300 -0.133 0.000 1.218 20 R HN 0.633 nan 8.270 nan 0.000 0.473 21 A N 1.968 124.504 122.820 -0.472 0.000 2.366 21 A HA 0.447 4.768 4.320 0.001 0.000 0.249 21 A C -2.033 175.051 177.584 -0.833 0.000 1.084 21 A CA -1.597 49.773 52.037 -1.112 0.000 0.794 21 A CB -0.342 18.367 19.000 -0.486 0.000 1.034 21 A HN 0.659 nan 8.150 nan 0.000 0.491 22 P HA -0.031 nan 4.420 nan 0.000 0.266 22 P C 0.885 177.999 177.300 -0.310 0.000 1.193 22 P CA 0.740 63.538 63.100 -0.503 0.000 0.770 22 P CB 0.277 31.704 31.700 -0.456 0.000 0.836 23 T N -0.639 113.795 114.554 -0.200 0.000 3.055 23 T HA 0.040 4.391 4.350 0.001 0.000 0.265 23 T C 0.656 175.293 174.700 -0.105 0.000 1.111 23 T CA 0.898 62.928 62.100 -0.117 0.000 1.118 23 T CB 0.016 68.844 68.868 -0.066 0.000 0.909 23 T HN 0.379 nan 8.240 nan 0.000 0.501 24 K N -0.259 120.057 120.400 -0.140 0.000 2.469 24 K HA 0.723 5.043 4.320 0.001 0.000 0.268 24 K C -1.732 174.773 176.600 -0.159 0.000 1.027 24 K CA -0.928 55.286 56.287 -0.120 0.000 0.893 24 K CB 2.378 34.821 32.500 -0.094 0.000 1.460 24 K HN 0.017 nan 8.250 nan 0.000 0.449 25 A N 1.496 124.247 122.820 -0.115 0.000 3.307 25 A HA 0.260 4.580 4.320 0.001 0.000 0.289 25 A C -0.355 177.198 177.584 -0.052 0.000 1.138 25 A CA -0.587 51.383 52.037 -0.112 0.000 0.860 25 A CB 0.062 19.027 19.000 -0.059 0.000 1.318 25 A HN 0.635 nan 8.150 nan 0.000 0.551 26 T N -2.003 112.518 114.554 -0.056 0.000 2.824 26 T HA 0.382 4.732 4.350 0.001 0.000 0.277 26 T C 1.050 175.772 174.700 0.037 0.000 0.975 26 T CA 0.073 62.169 62.100 -0.007 0.000 0.966 26 T CB 1.130 69.994 68.868 -0.007 0.000 1.054 26 T HN 0.277 nan 8.240 nan 0.000 0.533 27 Q N -0.213 119.617 119.800 0.050 0.000 2.167 27 Q HA 0.064 4.405 4.340 0.001 0.000 0.202 27 Q C 1.933 177.993 176.000 0.100 0.000 0.970 27 Q CA 1.303 57.151 55.803 0.074 0.000 0.855 27 Q CB -0.770 28.003 28.738 0.059 0.000 0.911 27 Q HN 0.767 nan 8.270 nan 0.000 0.438 28 L N -0.621 120.655 121.223 0.088 0.000 1.994 28 L HA -0.197 4.143 4.340 0.001 0.000 0.208 28 L C 2.139 179.110 176.870 0.169 0.000 1.071 28 L CA 1.564 56.472 54.840 0.114 0.000 0.745 28 L CB -0.193 41.920 42.059 0.089 0.000 0.892 28 L HN 0.385 nan 8.230 nan 0.000 0.431 29 M N -0.859 118.827 119.600 0.142 0.000 2.260 29 M HA -0.283 4.197 4.480 0.001 0.000 0.261 29 M C 2.086 178.680 176.300 0.490 0.000 1.066 29 M CA 1.780 57.210 55.300 0.216 0.000 1.082 29 M CB -0.173 32.389 32.600 -0.063 0.000 1.388 29 M HN 0.297 nan 8.290 nan 0.000 0.419 30 Q N 0.173 120.188 119.800 0.358 0.000 2.339 30 Q HA -0.078 4.262 4.340 0.001 0.000 0.205 30 Q C 1.077 177.230 176.000 0.255 0.000 0.925 30 Q CA 1.174 57.207 55.803 0.384 0.000 0.898 30 Q CB 0.185 29.087 28.738 0.275 0.000 1.013 30 Q HN 0.344 nan 8.270 nan 0.000 0.504 31 D N -0.674 119.853 120.400 0.212 0.000 2.317 31 D HA -0.084 4.557 4.640 0.001 0.000 0.211 31 D C 1.423 177.841 176.300 0.198 0.000 0.966 31 D CA 1.104 55.200 54.000 0.160 0.000 0.876 31 D CB 0.298 41.177 40.800 0.132 0.000 0.927 31 D HN 0.328 nan 8.370 nan 0.000 0.519 32 V N -2.589 117.504 119.914 0.299 0.000 3.623 32 V HA 0.201 4.321 4.120 0.001 0.000 0.271 32 V C 0.701 177.020 176.094 0.376 0.000 1.248 32 V CA 0.232 62.795 62.300 0.438 0.000 1.156 32 V CB -0.128 31.955 31.823 0.433 0.000 0.870 32 V HN -0.002 nan 8.190 nan 0.000 0.453 33 T N 0.750 115.420 114.554 0.194 0.000 2.993 33 T HA 0.528 4.878 4.350 0.001 0.000 0.312 33 T C -2.458 172.161 174.700 -0.134 0.000 1.115 33 T CA -0.801 61.278 62.100 -0.035 0.000 1.027 33 T CB 2.408 71.138 68.868 -0.231 0.000 1.116 33 T HN 0.084 nan 8.240 nan 0.000 0.464 34 P HA 0.168 nan 4.420 nan 0.000 0.235 34 P C -0.152 176.982 177.300 -0.276 0.000 1.177 34 P CA 0.264 63.244 63.100 -0.200 0.000 0.785 34 P CB 0.342 31.928 31.700 -0.189 0.000 0.885 35 D N 0.489 120.566 120.400 -0.538 0.000 2.312 35 D HA 0.340 4.981 4.640 0.001 0.000 0.248 35 D C 0.092 176.210 176.300 -0.303 0.000 1.086 35 D CA -0.240 53.380 54.000 -0.632 0.000 0.948 35 D CB 1.535 41.414 40.800 -1.536 0.000 1.162 35 D HN -0.022 nan 8.370 nan 0.000 0.446 36 A N 1.405 124.225 122.820 -0.001 0.000 2.289 36 A HA 0.263 4.584 4.320 0.001 0.000 0.298 36 A C -0.809 177.056 177.584 0.467 0.000 1.208 36 A CA -0.590 51.580 52.037 0.222 0.000 0.845 36 A CB 0.052 19.164 19.000 0.187 0.000 1.125 36 A HN 0.486 nan 8.150 nan 0.000 0.517 37 W N 3.589 125.167 121.300 0.463 0.000 2.251 37 W HA 0.354 5.014 4.660 0.001 0.000 0.327 37 W C -1.529 175.131 176.519 0.234 0.000 1.361 37 W CA -1.040 56.537 57.345 0.385 0.000 1.234 37 W CB 0.226 29.869 29.460 0.304 0.000 1.212 37 W HN 0.522 nan 8.180 nan 0.000 0.557 38 P HA 0.047 nan 4.420 nan 0.000 0.269 38 P C -0.023 177.411 177.300 0.222 0.000 1.209 38 P CA -0.102 63.108 63.100 0.183 0.000 0.776 38 P CB 0.680 32.387 31.700 0.012 0.000 0.876 39 T N -0.488 114.148 114.554 0.137 0.000 2.899 39 T HA 0.392 4.742 4.350 0.001 0.000 0.284 39 T C -0.584 174.157 174.700 0.069 0.000 1.004 39 T CA -0.577 61.635 62.100 0.187 0.000 1.043 39 T CB 0.539 69.486 68.868 0.131 0.000 1.013 39 T HN 0.320 nan 8.240 nan 0.000 0.518 40 W N 1.437 122.758 121.300 0.035 0.000 2.578 40 W HA 0.466 5.126 4.660 0.001 0.000 0.346 40 W C -1.285 175.239 176.519 0.008 0.000 1.075 40 W CA -2.207 55.153 57.345 0.025 0.000 1.233 40 W CB 0.870 30.342 29.460 0.022 0.000 1.358 40 W HN 0.538 nan 8.180 nan 0.000 0.574 41 P HA -0.041 nan 4.420 nan 0.000 0.242 41 P C -0.037 177.328 177.300 0.108 0.000 1.197 41 P CA 0.830 63.997 63.100 0.111 0.000 0.765 41 P CB 0.275 32.021 31.700 0.076 0.000 0.936 42 V N -4.094 115.911 119.914 0.152 0.000 3.156 42 V HA 0.526 4.647 4.120 0.001 0.000 0.311 42 V C -0.085 175.972 176.094 -0.062 0.000 1.208 42 V CA -1.711 60.623 62.300 0.057 0.000 1.063 42 V CB 1.668 33.590 31.823 0.166 0.000 1.098 42 V HN -0.285 nan 8.190 nan 0.000 0.452 43 K N 0.982 121.183 120.400 -0.333 0.000 2.219 43 K HA 0.478 4.799 4.320 0.001 0.000 0.258 43 K C -0.436 176.007 176.600 -0.262 0.000 1.008 43 K CA -0.422 55.563 56.287 -0.504 0.000 0.928 43 K CB 0.583 32.353 32.500 -1.216 0.000 0.983 43 K HN 0.541 nan 8.250 nan 0.000 0.484 44 L N 1.467 122.583 121.223 -0.179 0.000 2.559 44 L HA -0.130 4.211 4.340 0.001 0.000 0.282 44 L C 1.456 178.354 176.870 0.046 0.000 1.232 44 L CA 0.865 55.646 54.840 -0.097 0.000 0.885 44 L CB -0.346 41.660 42.059 -0.088 0.000 1.131 44 L HN 1.090 nan 8.230 nan 0.000 0.498 45 G N 1.624 110.413 108.800 -0.017 0.000 2.175 45 G HA2 -0.267 3.693 3.960 0.001 0.000 0.265 45 G HA3 -0.267 3.693 3.960 0.001 0.000 0.265 45 G C -0.299 174.676 174.900 0.126 0.000 0.979 45 G CA -0.161 44.952 45.100 0.021 0.000 0.663 45 G HN 0.543 nan 8.290 nan 0.000 0.533 46 W N -0.597 120.618 121.300 -0.141 0.000 2.448 46 W HA 0.752 5.413 4.660 0.001 0.000 0.339 46 W C 0.442 176.909 176.519 -0.087 0.000 1.124 46 W CA -1.479 55.807 57.345 -0.099 0.000 1.262 46 W CB 0.621 30.052 29.460 -0.048 0.000 1.251 46 W HN 0.136 nan 8.180 nan 0.000 0.597 47 L N 2.826 124.105 121.223 0.094 0.000 2.416 47 L HA 0.294 4.634 4.340 0.001 0.000 0.272 47 L C 0.861 177.822 176.870 0.152 0.000 1.161 47 L CA 0.323 55.208 54.840 0.074 0.000 0.845 47 L CB 0.256 42.328 42.059 0.021 0.000 1.119 47 L HN 0.487 nan 8.230 nan 0.000 0.464 48 T N 2.800 117.449 114.554 0.159 0.000 2.922 48 T HA 0.419 4.770 4.350 0.001 0.000 0.285 48 T C -1.702 173.068 174.700 0.116 0.000 1.005 48 T CA -1.518 60.689 62.100 0.179 0.000 1.061 48 T CB 1.103 70.122 68.868 0.251 0.000 1.007 48 T HN 0.592 nan 8.240 nan 0.000 0.502 49 P HA -0.205 nan 4.420 nan 0.000 0.217 49 P C 1.436 178.747 177.300 0.020 0.000 1.148 49 P CA 1.067 64.196 63.100 0.050 0.000 0.828 49 P CB 0.143 31.869 31.700 0.043 0.000 0.783 50 R N 0.345 120.867 120.500 0.036 0.000 2.075 50 R HA -0.065 4.275 4.340 0.001 0.000 0.232 50 R C 2.556 178.858 176.300 0.003 0.000 1.126 50 R CA 1.866 57.970 56.100 0.007 0.000 0.963 50 R CB -1.241 29.079 30.300 0.034 0.000 0.858 50 R HN 0.132 nan 8.270 nan 0.000 0.435 51 G N -0.441 108.395 108.800 0.060 0.000 2.422 51 G HA2 -0.225 3.735 3.960 0.001 0.000 0.218 51 G HA3 -0.225 3.735 3.960 0.001 0.000 0.218 51 G C 1.445 176.362 174.900 0.028 0.000 1.146 51 G CA 0.753 45.894 45.100 0.068 0.000 0.769 51 G HN 0.517 nan 8.290 nan 0.000 0.547 52 G N 0.509 109.318 108.800 0.014 0.000 2.418 52 G HA2 -0.117 3.843 3.960 0.001 0.000 0.217 52 G HA3 -0.117 3.843 3.960 0.001 0.000 0.217 52 G C 1.597 176.449 174.900 -0.079 0.000 1.158 52 G CA 1.074 46.169 45.100 -0.008 0.000 0.771 52 G HN 0.520 nan 8.290 nan 0.000 0.545 53 E N 0.053 120.163 120.200 -0.151 0.000 2.058 53 E HA -0.071 4.279 4.350 0.001 0.000 0.194 53 E C 2.578 178.848 176.600 -0.550 0.000 0.997 53 E CA 0.682 56.868 56.400 -0.358 0.000 0.801 53 E CB -0.232 29.243 29.700 -0.374 0.000 0.746 53 E HN 0.371 nan 8.360 nan 0.000 0.450 54 L N 0.813 121.839 121.223 -0.327 0.000 2.079 54 L HA -0.216 4.124 4.340 0.001 0.000 0.210 54 L C 2.380 179.242 176.870 -0.013 0.000 1.081 54 L CA 0.585 55.324 54.840 -0.169 0.000 0.752 54 L CB -0.334 41.718 42.059 -0.010 0.000 0.896 54 L HN 0.231 nan 8.230 nan 0.000 0.433 55 I N 0.026 120.604 120.570 0.013 0.000 2.252 55 I HA -0.212 3.958 4.170 0.001 0.000 0.245 55 I C 2.835 179.023 176.117 0.118 0.000 1.102 55 I CA 1.482 62.855 61.300 0.121 0.000 1.385 55 I CB -1.418 36.664 38.000 0.137 0.000 1.064 55 I HN 0.175 nan 8.210 nan 0.000 0.414 56 A N 0.301 123.121 122.820 -0.000 0.000 1.940 56 A HA -0.240 4.080 4.320 0.001 0.000 0.219 56 A C 2.186 179.849 177.584 0.132 0.000 1.176 56 A CA 1.399 53.430 52.037 -0.009 0.000 0.631 56 A CB -0.868 18.085 19.000 -0.078 0.000 0.814 56 A HN 0.339 nan 8.150 nan 0.000 0.446 57 Y N -0.161 120.171 120.300 0.054 0.000 2.181 57 Y HA -0.127 4.423 4.550 0.001 0.000 0.288 57 Y C 2.212 178.201 175.900 0.149 0.000 1.146 57 Y CA 0.834 58.984 58.100 0.083 0.000 1.164 57 Y CB -0.981 37.511 38.460 0.053 0.000 0.982 57 Y HN 0.216 nan 8.280 nan 0.000 0.515 58 L N -1.149 120.270 121.223 0.327 0.000 2.093 58 L HA -0.131 4.210 4.340 0.001 0.000 0.208 58 L C 2.641 179.682 176.870 0.284 0.000 1.085 58 L CA 1.222 56.261 54.840 0.331 0.000 0.755 58 L CB -0.999 41.268 42.059 0.346 0.000 0.904 58 L HN 0.249 nan 8.230 nan 0.000 0.435 59 G N -1.243 107.590 108.800 0.055 0.000 2.418 59 G HA2 -0.342 3.619 3.960 0.001 0.000 0.217 59 G HA3 -0.342 3.619 3.960 0.001 0.000 0.217 59 G C 1.357 176.088 174.900 -0.282 0.000 1.158 59 G CA 0.993 45.743 45.100 -0.584 0.000 0.771 59 G HN 0.409 nan 8.290 nan 0.000 0.545 60 H N -0.781 118.222 119.070 -0.111 0.000 2.321 60 H HA -0.163 4.394 4.556 0.001 0.000 0.300 60 H C 2.136 177.442 175.328 -0.037 0.000 1.087 60 H CA 1.891 57.904 56.048 -0.060 0.000 1.319 60 H CB -0.456 29.325 29.762 0.030 0.000 1.379 60 H HN 0.363 nan 8.280 nan 0.000 0.501 61 Y N 0.858 121.124 120.300 -0.057 0.000 2.145 61 Y HA -0.225 4.326 4.550 0.001 0.000 0.286 61 Y C 2.330 178.172 175.900 -0.097 0.000 1.145 61 Y CA 1.892 59.939 58.100 -0.089 0.000 1.148 61 Y CB -0.258 38.207 38.460 0.008 0.000 0.981 61 Y HN 0.254 nan 8.280 nan 0.000 0.507 62 Q N 0.197 119.887 119.800 -0.184 0.000 2.170 62 Q HA -0.206 4.135 4.340 0.001 0.000 0.203 62 Q C 2.333 178.164 176.000 -0.282 0.000 0.976 62 Q CA 1.619 57.300 55.803 -0.203 0.000 0.858 62 Q CB -0.403 28.423 28.738 0.146 0.000 0.907 62 Q HN 0.363 nan 8.270 nan 0.000 0.433 63 R N 1.208 121.525 120.500 -0.306 0.000 2.066 63 R HA -0.100 4.240 4.340 0.001 0.000 0.232 63 R C 2.054 178.172 176.300 -0.303 0.000 1.131 63 R CA 1.737 57.670 56.100 -0.278 0.000 0.955 63 R CB -0.381 29.750 30.300 -0.282 0.000 0.851 63 R HN 0.302 nan 8.270 nan 0.000 0.432 64 Q N -0.268 119.288 119.800 -0.405 0.000 2.084 64 Q HA -0.156 4.184 4.340 0.001 0.000 0.202 64 Q C 2.131 177.936 176.000 -0.324 0.000 0.978 64 Q CA 1.372 56.967 55.803 -0.347 0.000 0.844 64 Q CB -0.292 28.229 28.738 -0.363 0.000 0.898 64 Q HN 0.171 nan 8.270 nan 0.000 0.426 65 R N 0.920 121.126 120.500 -0.490 0.000 2.080 65 R HA -0.150 4.191 4.340 0.001 0.000 0.236 65 R C 2.033 178.202 176.300 -0.218 0.000 1.137 65 R CA 1.313 57.165 56.100 -0.413 0.000 0.943 65 R CB -0.452 29.453 30.300 -0.659 0.000 0.846 65 R HN 0.219 nan 8.270 nan 0.000 0.431 66 L N 0.491 121.590 121.223 -0.206 0.000 2.141 66 L HA -0.094 4.247 4.340 0.001 0.000 0.209 66 L C 2.508 179.305 176.870 -0.122 0.000 1.094 66 L CA 0.947 55.703 54.840 -0.140 0.000 0.763 66 L CB -0.839 41.151 42.059 -0.115 0.000 0.908 66 L HN -0.039 nan 8.230 nan 0.000 0.437 67 V N -0.350 119.485 119.914 -0.132 0.000 2.307 67 V HA -0.257 3.864 4.120 0.001 0.000 0.245 67 V C 2.671 178.717 176.094 -0.080 0.000 1.045 67 V CA 1.544 63.782 62.300 -0.102 0.000 1.024 67 V CB -1.035 30.722 31.823 -0.110 0.000 0.651 67 V HN 0.479 nan 8.190 nan 0.000 0.449 68 A N -0.499 122.270 122.820 -0.084 0.000 2.019 68 A HA -0.221 4.100 4.320 0.001 0.000 0.219 68 A C 1.810 179.380 177.584 -0.024 0.000 1.164 68 A CA 1.855 53.863 52.037 -0.049 0.000 0.644 68 A CB -0.432 18.539 19.000 -0.049 0.000 0.805 68 A HN 0.560 nan 8.150 nan 0.000 0.449 69 D N -1.245 119.131 120.400 -0.039 0.000 2.340 69 D HA 0.229 4.869 4.640 0.001 0.000 0.220 69 D C 1.384 177.651 176.300 -0.055 0.000 1.039 69 D CA 0.982 54.966 54.000 -0.026 0.000 0.866 69 D CB 0.015 40.772 40.800 -0.072 0.000 0.913 69 D HN 0.556 nan 8.370 nan 0.000 0.523 70 G N 1.391 110.158 108.800 -0.055 0.000 2.153 70 G HA2 -0.320 3.641 3.960 0.001 0.000 0.252 70 G HA3 -0.320 3.641 3.960 0.001 0.000 0.252 70 G C 0.906 175.765 174.900 -0.068 0.000 0.994 70 G CA 0.664 45.732 45.100 -0.052 0.000 0.698 70 G HN 0.388 nan 8.290 nan 0.000 0.521 71 L N -1.340 119.827 121.223 -0.092 0.000 2.307 71 L HA 0.599 4.940 4.340 0.001 0.000 0.211 71 L C 0.793 177.621 176.870 -0.071 0.000 1.099 71 L CA 0.951 55.734 54.840 -0.095 0.000 0.816 71 L CB 0.105 42.086 42.059 -0.130 0.000 0.952 71 L HN 0.213 nan 8.230 nan 0.000 0.455 72 L N -0.451 120.729 121.223 -0.071 0.000 2.362 72 L HA 0.671 5.011 4.340 0.001 0.000 0.271 72 L C 0.094 176.928 176.870 -0.060 0.000 1.002 72 L CA -0.672 54.131 54.840 -0.062 0.000 0.818 72 L CB 1.270 43.286 42.059 -0.071 0.000 1.298 72 L HN 0.007 nan 8.230 nan 0.000 0.420 73 A N 2.331 125.121 122.820 -0.049 0.000 2.425 73 A HA 0.232 4.552 4.320 0.001 0.000 0.242 73 A C 1.157 178.709 177.584 -0.053 0.000 1.077 73 A CA 0.044 52.054 52.037 -0.044 0.000 0.781 73 A CB 0.120 19.099 19.000 -0.034 0.000 1.020 73 A HN 0.863 nan 8.150 nan 0.000 0.494 74 K N -0.207 120.164 120.400 -0.049 0.000 2.155 74 K HA -0.021 4.299 4.320 0.001 0.000 0.203 74 K C 0.125 176.698 176.600 -0.046 0.000 1.052 74 K CA 1.187 57.441 56.287 -0.054 0.000 0.948 74 K CB -0.048 32.425 32.500 -0.046 0.000 0.728 74 K HN 0.542 nan 8.250 nan 0.000 0.448 75 K N -0.627 119.751 120.400 -0.036 0.000 2.281 75 K HA 0.480 4.800 4.320 0.001 0.000 0.242 75 K C -0.732 175.852 176.600 -0.027 0.000 0.971 75 K CA 0.202 56.472 56.287 -0.029 0.000 0.834 75 K CB 1.919 34.406 32.500 -0.022 0.000 1.181 75 K HN 0.306 nan 8.250 nan 0.000 0.435 76 G N 0.245 109.030 108.800 -0.024 0.000 2.829 76 G HA2 -0.228 3.732 3.960 0.001 0.000 0.628 76 G HA3 -0.228 3.732 3.960 0.001 0.000 0.628 76 G C -0.374 174.510 174.900 -0.025 0.000 1.412 76 G CA -0.649 44.438 45.100 -0.021 0.000 0.864 76 G HN 0.720 nan 8.290 nan 0.000 0.544 77 c N 2.766 121.354 118.600 -0.021 0.000 2.601 77 c HA 0.571 5.142 4.570 0.001 0.000 0.409 77 c C -0.650 173.429 174.090 -0.019 0.000 1.293 77 c CA -0.393 55.924 56.329 -0.021 0.000 2.101 77 c CB 0.479 42.980 42.510 -0.014 0.000 2.639 77 c HN 0.805 nan 8.230 nan 0.000 0.592 78 P HA 0.039 nan 4.420 nan 0.000 0.267 78 P C -0.648 176.648 177.300 -0.006 0.000 1.200 78 P CA 0.228 63.318 63.100 -0.016 0.000 0.772 78 P CB 0.431 32.123 31.700 -0.013 0.000 0.855 79 Q N 0.454 120.250 119.800 -0.007 0.000 2.428 79 Q HA 0.095 4.436 4.340 0.001 0.000 0.276 79 Q C 0.677 176.681 176.000 0.006 0.000 1.059 79 Q CA 0.080 55.881 55.803 -0.002 0.000 0.923 79 Q CB 0.009 28.744 28.738 -0.005 0.000 1.283 79 Q HN 0.430 nan 8.270 nan 0.000 0.447 80 S N 0.423 116.128 115.700 0.009 0.000 2.558 80 S HA 0.202 4.673 4.470 0.001 0.000 0.293 80 S C 0.907 175.517 174.600 0.017 0.000 1.292 80 S CA 0.767 58.977 58.200 0.017 0.000 1.063 80 S CB -0.295 62.914 63.200 0.016 0.000 0.831 80 S HN 0.899 nan 8.310 nan 0.000 0.499 81 G N 3.419 112.235 108.800 0.026 0.000 2.273 81 G HA2 -0.285 3.675 3.960 0.001 0.000 0.280 81 G HA3 -0.285 3.675 3.960 0.001 0.000 0.280 81 G C 0.317 175.224 174.900 0.012 0.000 1.047 81 G CA 0.902 46.014 45.100 0.020 0.000 0.869 81 G HN 0.820 nan 8.290 nan 0.000 0.502 82 Q N -1.691 118.118 119.800 0.016 0.000 2.471 82 Q HA 0.401 4.741 4.340 0.001 0.000 0.241 82 Q C 0.599 176.611 176.000 0.020 0.000 0.886 82 Q CA 0.675 56.484 55.803 0.009 0.000 0.953 82 Q CB 0.747 29.486 28.738 0.002 0.000 1.108 82 Q HN 0.486 nan 8.270 nan 0.000 0.575 83 V N 1.522 121.459 119.914 0.037 0.000 2.448 83 V HA 0.751 4.871 4.120 0.001 0.000 0.295 83 V C -0.795 175.349 176.094 0.085 0.000 1.025 83 V CA -0.617 61.721 62.300 0.064 0.000 0.859 83 V CB 1.381 33.245 31.823 0.068 0.000 0.988 83 V HN 0.264 nan 8.190 nan 0.000 0.431 84 A N 6.098 128.972 122.820 0.091 0.000 2.356 84 A HA 0.920 5.241 4.320 0.001 0.000 0.310 84 A C -0.940 176.731 177.584 0.145 0.000 1.075 84 A CA -0.496 51.591 52.037 0.082 0.000 0.746 84 A CB 0.991 19.983 19.000 -0.013 0.000 1.221 84 A HN 0.764 nan 8.150 nan 0.000 0.443 85 I N 3.258 123.960 120.570 0.219 0.000 2.418 85 I HA 0.435 4.605 4.170 0.001 0.000 0.287 85 I C -0.751 175.515 176.117 0.247 0.000 1.008 85 I CA -0.219 61.242 61.300 0.269 0.000 1.104 85 I CB 1.612 39.777 38.000 0.275 0.000 1.264 85 I HN 0.520 nan 8.210 nan 0.000 0.438 86 I N 4.907 125.558 120.570 0.134 0.000 2.693 86 I HA 0.830 5.001 4.170 0.001 0.000 0.303 86 I C -0.203 175.976 176.117 0.104 0.000 1.025 86 I CA -0.561 60.755 61.300 0.027 0.000 1.086 86 I CB 2.233 40.064 38.000 -0.281 0.000 1.268 86 I HN 0.659 nan 8.210 nan 0.000 0.440 87 A N 3.162 126.059 122.820 0.129 0.000 2.594 87 A HA 0.487 4.808 4.320 0.001 0.000 0.295 87 A C -1.333 176.245 177.584 -0.010 0.000 1.071 87 A CA -0.597 51.485 52.037 0.076 0.000 0.685 87 A CB 1.664 20.689 19.000 0.040 0.000 1.285 87 A HN 0.624 nan 8.150 nan 0.000 0.405 88 D N 0.247 120.344 120.400 -0.504 0.000 2.361 88 D HA 0.203 4.843 4.640 0.001 0.000 0.239 88 D C 1.705 177.863 176.300 -0.236 0.000 1.200 88 D CA 0.589 54.140 54.000 -0.749 0.000 0.915 88 D CB 1.382 41.425 40.800 -1.262 0.000 1.170 88 D HN 0.825 nan 8.370 nan 0.000 0.444 89 V N -0.910 118.939 119.914 -0.109 0.000 3.078 89 V HA -0.027 4.094 4.120 0.001 0.000 0.265 89 V C 0.400 176.434 176.094 -0.101 0.000 1.122 89 V CA 0.676 62.944 62.300 -0.053 0.000 1.141 89 V CB -0.610 31.211 31.823 -0.004 0.000 0.735 89 V HN 0.328 nan 8.190 nan 0.000 0.498 90 D N 1.645 121.966 120.400 -0.133 0.000 2.399 90 D HA 0.008 4.648 4.640 0.001 0.000 0.241 90 D C 1.375 177.529 176.300 -0.243 0.000 1.133 90 D CA 0.280 54.182 54.000 -0.162 0.000 0.890 90 D CB 1.052 41.782 40.800 -0.117 0.000 1.201 90 D HN 0.336 nan 8.370 nan 0.000 0.432 91 E N 2.947 122.925 120.200 -0.370 0.000 2.070 91 E HA -0.255 4.095 4.350 0.001 0.000 0.197 91 E C 1.811 178.172 176.600 -0.398 0.000 1.004 91 E CA 1.339 57.422 56.400 -0.528 0.000 0.805 91 E CB 0.074 29.102 29.700 -1.119 0.000 0.744 91 E HN 0.577 nan 8.360 nan 0.000 0.451 92 R N 0.152 120.426 120.500 -0.377 0.000 2.120 92 R HA -0.087 4.254 4.340 0.001 0.000 0.234 92 R C 2.383 178.589 176.300 -0.158 0.000 1.123 92 R CA 1.995 57.932 56.100 -0.271 0.000 0.975 92 R CB -1.054 29.010 30.300 -0.394 0.000 0.866 92 R HN 0.211 nan 8.270 nan 0.000 0.446 93 T N -0.938 113.507 114.554 -0.182 0.000 2.851 93 T HA -0.036 4.314 4.350 0.001 0.000 0.262 93 T C 1.995 176.649 174.700 -0.077 0.000 1.043 93 T CA 0.778 62.794 62.100 -0.140 0.000 1.140 93 T CB -0.210 68.480 68.868 -0.297 0.000 0.872 93 T HN 0.298 nan 8.240 nan 0.000 0.446 94 R N 1.557 121.993 120.500 -0.107 0.000 2.080 94 R HA -0.050 4.291 4.340 0.001 0.000 0.236 94 R C 2.344 178.623 176.300 -0.036 0.000 1.137 94 R CA 1.387 57.450 56.100 -0.063 0.000 0.943 94 R CB -0.289 29.952 30.300 -0.099 0.000 0.846 94 R HN 0.103 nan 8.270 nan 0.000 0.431 95 K N -0.227 120.131 120.400 -0.070 0.000 2.209 95 K HA -0.064 4.257 4.320 0.001 0.000 0.204 95 K C 2.003 178.614 176.600 0.018 0.000 1.048 95 K CA 1.754 58.019 56.287 -0.037 0.000 0.940 95 K CB -0.354 32.108 32.500 -0.064 0.000 0.729 95 K HN 0.328 nan 8.250 nan 0.000 0.451 96 T N -0.057 114.525 114.554 0.047 0.000 2.857 96 T HA -0.060 4.290 4.350 0.001 0.000 0.266 96 T C 1.840 176.640 174.700 0.167 0.000 1.048 96 T CA 1.398 63.571 62.100 0.121 0.000 1.139 96 T CB -0.219 68.744 68.868 0.158 0.000 0.874 96 T HN 0.427 nan 8.240 nan 0.000 0.455 97 G N 1.269 110.166 108.800 0.161 0.000 2.408 97 G HA2 -0.152 3.808 3.960 0.001 0.000 0.217 97 G HA3 -0.152 3.808 3.960 0.001 0.000 0.217 97 G C 1.446 176.399 174.900 0.088 0.000 1.150 97 G CA 0.488 45.697 45.100 0.181 0.000 0.776 97 G HN 0.501 nan 8.290 nan 0.000 0.542 98 E N 0.481 120.712 120.200 0.052 0.000 2.107 98 E HA 0.066 4.417 4.350 0.001 0.000 0.191 98 E C 2.900 179.504 176.600 0.006 0.000 0.982 98 E CA 0.613 57.024 56.400 0.018 0.000 0.809 98 E CB -0.118 29.583 29.700 0.002 0.000 0.756 98 E HN 0.396 nan 8.360 nan 0.000 0.459 99 A N 0.973 123.806 122.820 0.022 0.000 1.930 99 A HA -0.166 4.155 4.320 0.001 0.000 0.217 99 A C 1.949 179.530 177.584 -0.006 0.000 1.175 99 A CA 0.928 52.970 52.037 0.008 0.000 0.627 99 A CB -0.654 18.364 19.000 0.029 0.000 0.815 99 A HN 0.315 nan 8.150 nan 0.000 0.443 100 F N 0.745 120.587 119.950 -0.179 0.000 2.113 100 F HA -0.008 4.520 4.527 0.001 0.000 0.297 100 F C 2.547 178.191 175.800 -0.261 0.000 1.103 100 F CA 1.242 59.047 58.000 -0.325 0.000 1.248 100 F CB -0.241 38.247 39.000 -0.854 0.000 0.999 100 F HN 0.258 nan 8.300 nan 0.000 0.475 101 A N 0.566 123.306 122.820 -0.134 0.000 1.883 101 A HA -0.156 4.164 4.320 0.001 0.000 0.217 101 A C 2.377 179.861 177.584 -0.166 0.000 1.186 101 A CA 1.934 53.885 52.037 -0.143 0.000 0.624 101 A CB -1.634 17.349 19.000 -0.029 0.000 0.822 101 A HN 0.504 nan 8.150 nan 0.000 0.444 102 A N -0.790 121.963 122.820 -0.112 0.000 1.978 102 A HA 0.097 4.417 4.320 0.001 0.000 0.220 102 A C 2.327 179.850 177.584 -0.102 0.000 1.170 102 A CA 2.015 54.001 52.037 -0.085 0.000 0.636 102 A CB -1.175 17.793 19.000 -0.054 0.000 0.810 102 A HN 0.748 nan 8.150 nan 0.000 0.448 103 G N -0.792 107.914 108.800 -0.158 0.000 2.453 103 G HA2 0.057 4.017 3.960 0.001 0.000 0.215 103 G HA3 0.057 4.017 3.960 0.001 0.000 0.215 103 G C 1.471 176.256 174.900 -0.192 0.000 1.147 103 G CA 0.908 45.934 45.100 -0.123 0.000 0.802 103 G HN 0.462 nan 8.290 nan 0.000 0.535 104 L N 0.595 121.573 121.223 -0.408 0.000 2.044 104 L HA 0.459 4.800 4.340 0.001 0.000 0.205 104 L C 1.507 178.248 176.870 -0.215 0.000 1.075 104 L CA 1.817 56.406 54.840 -0.417 0.000 0.747 104 L CB 0.054 41.735 42.059 -0.631 0.000 0.903 104 L HN 0.140 nan 8.230 nan 0.000 0.435 105 A N -0.365 122.357 122.820 -0.163 0.000 3.082 105 A HA 0.570 4.891 4.320 0.001 0.000 0.328 105 A C -2.558 174.988 177.584 -0.064 0.000 1.089 105 A CA -1.177 50.804 52.037 -0.093 0.000 0.802 105 A CB -0.361 18.594 19.000 -0.075 0.000 1.138 105 A HN 0.087 nan 8.150 nan 0.000 0.474 106 P HA 0.081 nan 4.420 nan 0.000 0.263 106 P C -0.160 177.125 177.300 -0.026 0.000 1.175 106 P CA 1.120 64.201 63.100 -0.031 0.000 0.761 106 P CB 0.364 32.056 31.700 -0.014 0.000 0.794 107 D N -0.130 120.256 120.400 -0.023 0.000 3.059 107 D HA -0.193 4.447 4.640 0.001 0.000 0.213 107 D C 0.496 176.786 176.300 -0.018 0.000 1.144 107 D CA 0.934 54.923 54.000 -0.018 0.000 0.975 107 D CB -1.938 38.854 40.800 -0.014 0.000 1.125 107 D HN 0.374 nan 8.370 nan 0.000 0.412 108 c N 0.467 119.054 118.600 -0.022 0.000 2.673 108 c HA 0.505 5.075 4.570 0.001 0.000 0.264 108 c C 1.608 175.689 174.090 -0.014 0.000 1.304 108 c CA 0.257 56.576 56.329 -0.018 0.000 1.727 108 c CB -0.881 41.615 42.510 -0.023 0.000 1.932 108 c HN 0.723 nan 8.230 nan 0.000 0.563 109 A N 1.078 123.888 122.820 -0.017 0.000 2.466 109 A HA -0.213 4.108 4.320 0.001 0.000 0.295 109 A C 0.104 177.682 177.584 -0.011 0.000 1.465 109 A CA 0.458 52.485 52.037 -0.016 0.000 0.744 109 A CB -2.151 16.841 19.000 -0.014 0.000 1.098 109 A HN 0.688 nan 8.150 nan 0.000 0.402 110 I N 0.893 121.460 120.570 -0.006 0.000 2.634 110 I HA 0.098 4.269 4.170 0.001 0.000 0.284 110 I C 1.235 177.355 176.117 0.005 0.000 1.124 110 I CA 0.227 61.537 61.300 0.016 0.000 1.417 110 I CB 0.901 38.920 38.000 0.032 0.000 1.396 110 I HN 0.484 nan 8.210 nan 0.000 0.571 111 T N 5.748 120.298 114.554 -0.007 0.000 2.884 111 T HA 0.211 4.561 4.350 0.001 0.000 0.298 111 T C -0.028 174.594 174.700 -0.130 0.000 0.998 111 T CA -0.396 61.616 62.100 -0.146 0.000 1.124 111 T CB 1.013 69.671 68.868 -0.350 0.000 0.931 111 T HN 0.236 nan 8.240 nan 0.000 0.531 112 V N 5.799 125.635 119.914 -0.130 0.000 2.311 112 V HA 0.220 4.341 4.120 0.001 0.000 0.275 112 V C 0.320 176.397 176.094 -0.029 0.000 1.022 112 V CA -0.812 61.497 62.300 0.015 0.000 0.830 112 V CB -0.040 31.805 31.823 0.037 0.000 1.012 112 V HN 0.859 nan 8.190 nan 0.000 0.452 113 H N 3.208 122.338 119.070 0.102 0.000 2.525 113 H HA 0.621 5.177 4.556 0.001 0.000 0.339 113 H C 0.319 175.779 175.328 0.221 0.000 1.109 113 H CA -0.208 55.932 56.048 0.154 0.000 1.352 113 H CB 2.074 31.947 29.762 0.185 0.000 1.461 113 H HN 0.682 nan 8.280 nan 0.000 0.533 114 T N -0.988 113.797 114.554 0.384 0.000 2.804 114 T HA 0.169 4.519 4.350 0.001 0.000 0.290 114 T C -0.193 174.724 174.700 0.361 0.000 1.099 114 T CA -1.197 61.146 62.100 0.406 0.000 1.011 114 T CB 2.118 71.103 68.868 0.196 0.000 1.291 114 T HN 0.646 nan 8.240 nan 0.000 0.523 115 Q N 0.020 119.983 119.800 0.272 0.000 2.395 115 Q HA 0.172 4.512 4.340 0.001 0.000 0.271 115 Q C 0.686 176.699 176.000 0.022 0.000 1.026 115 Q CA 0.194 55.999 55.803 0.002 0.000 0.900 115 Q CB 0.418 29.181 28.738 0.041 0.000 1.266 115 Q HN 0.760 nan 8.270 nan 0.000 0.430 116 T N 2.025 116.563 114.554 -0.027 0.000 2.746 116 T HA -0.151 4.200 4.350 0.001 0.000 0.267 116 T C 0.139 174.842 174.700 0.004 0.000 1.039 116 T CA 1.509 63.607 62.100 -0.003 0.000 1.142 116 T CB -0.125 68.732 68.868 -0.018 0.000 0.866 116 T HN 0.639 nan 8.240 nan 0.000 0.444 117 D N 2.086 122.485 120.400 -0.002 0.000 2.393 117 D HA 0.104 4.745 4.640 0.001 0.000 0.232 117 D C 1.117 177.425 176.300 0.013 0.000 1.192 117 D CA -0.085 53.917 54.000 0.004 0.000 0.882 117 D CB 0.862 41.662 40.800 -0.000 0.000 1.038 117 D HN 0.280 nan 8.370 nan 0.000 0.499 118 T N -0.471 114.090 114.554 0.012 0.000 3.129 118 T HA -0.045 4.306 4.350 0.001 0.000 0.251 118 T C 1.385 176.088 174.700 0.005 0.000 1.117 118 T CA 0.498 62.604 62.100 0.010 0.000 1.034 118 T CB -0.137 68.731 68.868 -0.000 0.000 0.968 118 T HN 0.217 nan 8.240 nan 0.000 0.526 119 S N -0.203 115.502 115.700 0.008 0.000 2.540 119 S HA 0.334 4.804 4.470 0.001 0.000 0.218 119 S C 0.687 175.293 174.600 0.010 0.000 0.977 119 S CA -0.503 57.702 58.200 0.008 0.000 0.918 119 S CB 0.107 63.312 63.200 0.010 0.000 0.806 119 S HN 0.375 nan 8.310 nan 0.000 0.496 120 S N 2.912 118.619 115.700 0.012 0.000 2.532 120 S HA 0.652 5.123 4.470 0.001 0.000 0.301 120 S C -2.925 171.690 174.600 0.026 0.000 1.083 120 S CA -1.771 56.438 58.200 0.015 0.000 1.025 120 S CB 1.262 64.470 63.200 0.012 0.000 1.056 120 S HN 0.202 nan 8.310 nan 0.000 0.494 121 P HA 0.191 nan 4.420 nan 0.000 0.272 121 P C -1.192 176.158 177.300 0.083 0.000 1.223 121 P CA -0.228 62.901 63.100 0.049 0.000 0.784 121 P CB 0.409 32.131 31.700 0.035 0.000 0.923 122 D N 2.634 123.123 120.400 0.149 0.000 2.359 122 D HA 0.134 4.775 4.640 0.001 0.000 0.230 122 D C -1.253 175.192 176.300 0.242 0.000 1.118 122 D CA -2.535 51.604 54.000 0.232 0.000 0.844 122 D CB 0.842 41.887 40.800 0.408 0.000 1.059 122 D HN 0.147 nan 8.370 nan 0.000 0.493 123 P HA -0.176 nan 4.420 nan 0.000 0.221 123 P C 1.710 179.051 177.300 0.069 0.000 1.145 123 P CA 0.301 63.454 63.100 0.089 0.000 0.795 123 P CB 0.449 32.174 31.700 0.042 0.000 0.775 124 L N -0.659 120.605 121.223 0.069 0.000 2.081 124 L HA -0.109 4.232 4.340 0.001 0.000 0.212 124 L C 1.941 178.638 176.870 -0.289 0.000 1.080 124 L CA 1.935 56.695 54.840 -0.134 0.000 0.754 124 L CB -1.293 40.642 42.059 -0.207 0.000 0.893 124 L HN -0.203 nan 8.230 nan 0.000 0.433 125 F N -0.588 119.413 119.950 0.084 0.000 2.765 125 F HA 0.255 4.782 4.527 0.001 0.000 0.302 125 F C 0.601 176.425 175.800 0.042 0.000 1.111 125 F CA -0.032 58.020 58.000 0.087 0.000 1.359 125 F CB -0.113 38.980 39.000 0.155 0.000 1.097 125 F HN 0.246 nan 8.300 nan 0.000 0.577 126 N N -0.273 118.507 118.700 0.133 0.000 4.614 126 N HA -0.008 4.733 4.740 0.001 0.000 0.158 126 N C -2.469 173.064 175.510 0.038 0.000 1.311 126 N CA -0.687 52.400 53.050 0.063 0.000 0.922 126 N CB 0.587 39.102 38.487 0.047 0.000 1.696 126 N HN -0.231 nan 8.380 nan 0.000 0.871 127 P HA -0.048 nan 4.420 nan 0.000 0.226 127 P C 1.386 178.685 177.300 -0.002 0.000 1.153 127 P CA 0.481 63.583 63.100 0.004 0.000 0.777 127 P CB 0.688 32.383 31.700 -0.010 0.000 0.794 128 L N 0.197 121.415 121.223 -0.007 0.000 2.023 128 L HA -0.087 4.253 4.340 0.001 0.000 0.205 128 L C 2.919 179.782 176.870 -0.012 0.000 1.073 128 L CA 1.555 56.386 54.840 -0.015 0.000 0.745 128 L CB -1.071 40.973 42.059 -0.024 0.000 0.900 128 L HN -0.072 nan 8.230 nan 0.000 0.435 129 K N 0.158 120.553 120.400 -0.008 0.000 2.127 129 K HA -0.219 4.101 4.320 0.001 0.000 0.208 129 K C 1.838 178.437 176.600 -0.001 0.000 1.047 129 K CA 2.048 58.330 56.287 -0.007 0.000 0.927 129 K CB -0.066 32.431 32.500 -0.005 0.000 0.716 129 K HN 0.476 nan 8.250 nan 0.000 0.450 130 T N -4.149 110.408 114.554 0.006 0.000 3.081 130 T HA 0.230 4.581 4.350 0.001 0.000 0.250 130 T C 1.208 175.907 174.700 -0.000 0.000 1.100 130 T CA 0.403 62.507 62.100 0.006 0.000 1.038 130 T CB 0.567 69.444 68.868 0.016 0.000 0.962 130 T HN 0.378 nan 8.240 nan 0.000 0.516 131 G N 0.571 109.369 108.800 -0.005 0.000 2.157 131 G HA2 -0.295 3.665 3.960 0.001 0.000 0.239 131 G HA3 -0.295 3.665 3.960 0.001 0.000 0.239 131 G C 0.857 175.751 174.900 -0.009 0.000 0.982 131 G CA 0.126 45.221 45.100 -0.008 0.000 0.650 131 G HN 0.472 nan 8.290 nan 0.000 0.527 132 V N -0.017 119.893 119.914 -0.008 0.000 2.392 132 V HA -0.045 4.076 4.120 0.001 0.000 0.249 132 V C 1.907 177.992 176.094 -0.014 0.000 1.059 132 V CA 2.084 64.378 62.300 -0.010 0.000 1.051 132 V CB -0.666 31.151 31.823 -0.009 0.000 0.658 132 V HN 1.577 nan 8.190 nan 0.000 0.455 133 c N -2.435 116.155 118.600 -0.016 0.000 3.318 133 c HA 0.744 5.314 4.570 0.001 0.000 0.322 133 c C -0.900 173.177 174.090 -0.020 0.000 1.398 133 c CA -1.108 55.210 56.329 -0.019 0.000 1.339 133 c CB 1.558 44.055 42.510 -0.022 0.000 1.668 133 c HN 0.394 nan 8.230 nan 0.000 0.462 134 Q N 0.330 120.117 119.800 -0.022 0.000 2.416 134 Q HA 0.734 5.075 4.340 0.001 0.000 0.279 134 Q C -1.230 174.753 176.000 -0.028 0.000 1.101 134 Q CA -0.725 55.064 55.803 -0.024 0.000 0.830 134 Q CB 2.305 31.030 28.738 -0.022 0.000 1.402 134 Q HN 0.702 nan 8.270 nan 0.000 0.445 135 L N 0.851 122.055 121.223 -0.032 0.000 2.343 135 L HA 0.282 4.623 4.340 0.001 0.000 0.275 135 L C -0.178 176.672 176.870 -0.034 0.000 1.056 135 L CA -0.667 54.151 54.840 -0.036 0.000 0.804 135 L CB 0.910 42.943 42.059 -0.042 0.000 1.203 135 L HN 0.556 nan 8.230 nan 0.000 0.440 136 D N 2.288 122.668 120.400 -0.035 0.000 2.374 136 D HA -0.033 4.608 4.640 0.001 0.000 0.240 136 D C 0.866 177.146 176.300 -0.034 0.000 1.229 136 D CA 0.118 54.099 54.000 -0.032 0.000 0.895 136 D CB 0.545 41.327 40.800 -0.031 0.000 1.046 136 D HN 0.453 nan 8.370 nan 0.000 0.498 137 N N 3.991 122.672 118.700 -0.032 0.000 2.011 137 N HA -0.277 4.463 4.740 0.001 0.000 0.199 137 N C 1.482 176.972 175.510 -0.033 0.000 1.047 137 N CA 2.030 55.060 53.050 -0.033 0.000 0.863 137 N CB -0.148 38.322 38.487 -0.029 0.000 1.056 137 N HN 0.495 nan 8.380 nan 0.000 0.427 138 A N 1.050 123.853 122.820 -0.028 0.000 1.873 138 A HA -0.211 4.110 4.320 0.001 0.000 0.218 138 A C 2.201 179.767 177.584 -0.030 0.000 1.193 138 A CA 1.911 53.932 52.037 -0.027 0.000 0.629 138 A CB -1.210 17.776 19.000 -0.022 0.000 0.826 138 A HN 0.704 nan 8.150 nan 0.000 0.447 139 N N -0.440 118.242 118.700 -0.031 0.000 2.120 139 N HA -0.135 4.606 4.740 0.001 0.000 0.188 139 N C 1.643 177.127 175.510 -0.043 0.000 1.024 139 N CA 1.486 54.516 53.050 -0.034 0.000 0.852 139 N CB -0.083 38.384 38.487 -0.033 0.000 1.003 139 N HN 0.246 nan 8.380 nan 0.000 0.424 140 V N 0.692 120.577 119.914 -0.048 0.000 2.358 140 V HA -0.170 3.951 4.120 0.001 0.000 0.246 140 V C 2.204 178.259 176.094 -0.064 0.000 1.047 140 V CA 1.781 64.045 62.300 -0.061 0.000 1.035 140 V CB -0.731 31.055 31.823 -0.062 0.000 0.658 140 V HN 0.428 nan 8.190 nan 0.000 0.452 141 T N -0.231 114.291 114.554 -0.054 0.000 2.746 141 T HA -0.244 4.107 4.350 0.001 0.000 0.267 141 T C 1.696 176.366 174.700 -0.050 0.000 1.039 141 T CA 1.979 64.048 62.100 -0.052 0.000 1.142 141 T CB -0.357 68.487 68.868 -0.040 0.000 0.866 141 T HN 0.676 nan 8.240 nan 0.000 0.444 142 D N 1.087 121.461 120.400 -0.042 0.000 2.117 142 D HA 0.008 4.649 4.640 0.001 0.000 0.198 142 D C 2.215 178.489 176.300 -0.043 0.000 0.982 142 D CA 1.095 55.074 54.000 -0.035 0.000 0.828 142 D CB -0.271 40.512 40.800 -0.028 0.000 0.967 142 D HN 0.332 nan 8.370 nan 0.000 0.464 143 A N 0.139 122.927 122.820 -0.054 0.000 1.898 143 A HA -0.048 4.272 4.320 0.001 0.000 0.216 143 A C 2.390 179.920 177.584 -0.090 0.000 1.181 143 A CA 1.016 53.014 52.037 -0.066 0.000 0.620 143 A CB -0.712 18.244 19.000 -0.074 0.000 0.819 143 A HN 0.382 nan 8.150 nan 0.000 0.442 144 I N -0.869 119.638 120.570 -0.105 0.000 2.202 144 I HA -0.199 3.972 4.170 0.001 0.000 0.242 144 I C 2.248 178.294 176.117 -0.119 0.000 1.091 144 I CA 0.771 61.987 61.300 -0.141 0.000 1.368 144 I CB -0.302 37.610 38.000 -0.147 0.000 1.058 144 I HN 0.210 nan 8.210 nan 0.000 0.410 145 L N 0.348 121.522 121.223 -0.081 0.000 2.046 145 L HA -0.214 4.127 4.340 0.001 0.000 0.208 145 L C 2.772 179.632 176.870 -0.017 0.000 1.077 145 L CA 1.729 56.540 54.840 -0.049 0.000 0.747 145 L CB -1.157 40.883 42.059 -0.031 0.000 0.896 145 L HN 0.204 nan 8.230 nan 0.000 0.432 146 S N -0.527 115.162 115.700 -0.019 0.000 2.353 146 S HA -0.199 4.272 4.470 0.001 0.000 0.222 146 S C 2.115 176.734 174.600 0.031 0.000 1.035 146 S CA 1.079 59.282 58.200 0.005 0.000 1.025 146 S CB -0.085 63.111 63.200 -0.008 0.000 0.902 146 S HN 0.411 nan 8.310 nan 0.000 0.440 147 R N 0.812 121.316 120.500 0.006 0.000 2.193 147 R HA 0.060 4.400 4.340 0.001 0.000 0.229 147 R C 2.181 178.589 176.300 0.180 0.000 1.110 147 R CA 1.009 57.151 56.100 0.069 0.000 0.988 147 R CB -0.532 29.713 30.300 -0.092 0.000 0.871 147 R HN 0.504 nan 8.270 nan 0.000 0.458 148 A N 0.425 123.291 122.820 0.076 0.000 2.238 148 A HA 0.243 4.564 4.320 0.001 0.000 0.208 148 A C 1.346 179.085 177.584 0.258 0.000 1.177 148 A CA 0.732 52.844 52.037 0.125 0.000 0.804 148 A CB 0.070 19.008 19.000 -0.104 0.000 0.823 148 A HN 0.415 nan 8.150 nan 0.000 0.482 149 G N -2.664 106.239 108.800 0.171 0.000 2.142 149 G HA2 0.199 4.159 3.960 0.001 0.000 0.225 149 G HA3 0.199 4.159 3.960 0.001 0.000 0.225 149 G C 1.390 176.359 174.900 0.116 0.000 1.015 149 G CA 0.755 45.946 45.100 0.152 0.000 0.716 149 G HN 2.039 nan 8.290 nan 0.000 0.508 150 G N -1.931 106.918 108.800 0.082 0.000 2.345 150 G HA2 0.230 4.191 3.960 0.001 0.000 0.218 150 G HA3 0.230 4.191 3.960 0.001 0.000 0.218 150 G C 0.654 175.585 174.900 0.050 0.000 1.058 150 G CA 1.292 46.426 45.100 0.057 0.000 0.632 150 G HN 2.682 nan 8.290 nan 0.000 0.508 151 S N -0.798 114.947 115.700 0.076 0.000 2.565 151 S HA 0.703 5.173 4.470 0.001 0.000 0.269 151 S C 0.691 175.353 174.600 0.104 0.000 1.153 151 S CA -0.296 57.943 58.200 0.064 0.000 0.835 151 S CB 1.232 64.466 63.200 0.057 0.000 1.122 151 S HN 0.374 nan 8.310 nan 0.000 0.462 152 I N 1.156 121.771 120.570 0.075 0.000 2.614 152 I HA -0.040 4.130 4.170 0.001 0.000 0.258 152 I C 2.694 178.926 176.117 0.192 0.000 1.189 152 I CA 1.602 62.974 61.300 0.121 0.000 1.462 152 I CB -1.996 36.037 38.000 0.056 0.000 1.092 152 I HN 0.889 nan 8.210 nan 0.000 0.442 153 A N 0.804 123.694 122.820 0.117 0.000 1.873 153 A HA -0.267 4.053 4.320 0.001 0.000 0.215 153 A C 2.154 179.801 177.584 0.104 0.000 1.186 153 A CA 2.136 54.224 52.037 0.085 0.000 0.616 153 A CB -0.787 18.239 19.000 0.043 0.000 0.823 153 A HN 0.389 nan 8.150 nan 0.000 0.442 154 D N -1.853 118.627 120.400 0.133 0.000 2.178 154 D HA -0.121 4.519 4.640 0.001 0.000 0.202 154 D C 1.578 178.022 176.300 0.239 0.000 0.974 154 D CA 1.021 55.105 54.000 0.141 0.000 0.841 154 D CB -0.183 40.715 40.800 0.164 0.000 0.953 154 D HN 0.355 nan 8.370 nan 0.000 0.478 155 F N 0.866 120.898 119.950 0.136 0.000 2.075 155 F HA -0.191 4.336 4.527 0.000 0.000 0.297 155 F C 2.534 178.449 175.800 0.191 0.000 1.113 155 F CA 2.258 60.358 58.000 0.167 0.000 1.218 155 F CB -0.924 38.158 39.000 0.137 0.000 0.984 155 F HN 0.064 nan 8.300 nan 0.000 0.472 156 T N -2.288 112.438 114.554 0.286 0.000 2.777 156 T HA -0.034 4.316 4.350 0.001 0.000 0.266 156 T C 2.337 177.103 174.700 0.110 0.000 1.040 156 T CA 0.978 63.218 62.100 0.234 0.000 1.141 156 T CB -1.601 67.331 68.868 0.107 0.000 0.868 156 T HN 0.319 nan 8.240 nan 0.000 0.444 157 G N 0.730 109.549 108.800 0.031 0.000 2.475 157 G HA2 -0.264 3.696 3.960 0.001 0.000 0.220 157 G HA3 -0.264 3.696 3.960 0.001 0.000 0.220 157 G C 1.525 176.359 174.900 -0.109 0.000 1.125 157 G CA 0.728 45.792 45.100 -0.060 0.000 0.755 157 G HN 0.580 nan 8.290 nan 0.000 0.565 158 H N -0.008 119.051 119.070 -0.018 0.000 2.555 158 H HA 0.176 4.732 4.556 0.000 0.000 0.269 158 H C 1.536 176.825 175.328 -0.066 0.000 0.988 158 H CA 0.563 56.577 56.048 -0.056 0.000 1.178 158 H CB 0.409 30.107 29.762 -0.107 0.000 1.373 158 H HN 0.352 nan 8.280 nan 0.000 0.588 159 R N 0.082 120.628 120.500 0.077 0.000 2.629 159 R HA 0.099 4.440 4.340 0.001 0.000 0.408 159 R C 1.191 177.628 176.300 0.227 0.000 1.057 159 R CA -0.156 55.986 56.100 0.071 0.000 1.119 159 R CB 0.728 30.998 30.300 -0.050 0.000 1.403 159 R HN 0.032 nan 8.270 nan 0.000 0.576 160 Q N 0.211 120.131 119.800 0.200 0.000 2.170 160 Q HA -0.101 4.240 4.340 0.001 0.000 0.203 160 Q C 1.441 177.542 176.000 0.169 0.000 0.976 160 Q CA 1.716 57.646 55.803 0.211 0.000 0.858 160 Q CB -0.063 28.725 28.738 0.084 0.000 0.907 160 Q HN 0.206 nan 8.270 nan 0.000 0.433 161 T N 1.063 115.679 114.554 0.103 0.000 2.746 161 T HA -0.116 4.234 4.350 0.001 0.000 0.267 161 T C 1.774 176.515 174.700 0.068 0.000 1.039 161 T CA 1.440 63.587 62.100 0.077 0.000 1.142 161 T CB -0.138 68.766 68.868 0.059 0.000 0.866 161 T HN 0.428 nan 8.240 nan 0.000 0.444 162 A N 0.384 123.223 122.820 0.031 0.000 1.929 162 A HA 0.077 4.397 4.320 0.001 0.000 0.216 162 A C 1.932 179.490 177.584 -0.043 0.000 1.176 162 A CA 1.065 53.073 52.037 -0.048 0.000 0.628 162 A CB -0.835 18.072 19.000 -0.156 0.000 0.816 162 A HN 0.448 nan 8.150 nan 0.000 0.444 163 F N 0.053 120.011 119.950 0.014 0.000 2.186 163 F HA -0.065 4.462 4.527 0.000 0.000 0.299 163 F C 2.556 178.355 175.800 -0.001 0.000 1.090 163 F CA 1.479 59.482 58.000 0.004 0.000 1.307 163 F CB -0.202 38.792 39.000 -0.011 0.000 1.019 163 F HN 0.104 nan 8.300 nan 0.000 0.489 164 R N -0.314 120.307 120.500 0.201 0.000 2.148 164 R HA -0.153 4.188 4.340 0.001 0.000 0.227 164 R C 2.005 178.364 176.300 0.098 0.000 1.103 164 R CA 1.220 57.397 56.100 0.129 0.000 0.983 164 R CB -0.302 30.059 30.300 0.102 0.000 0.874 164 R HN 0.187 nan 8.270 nan 0.000 0.451 165 E N 1.187 121.434 120.200 0.079 0.000 2.106 165 E HA -0.162 4.188 4.350 0.001 0.000 0.192 165 E C 1.725 178.358 176.600 0.055 0.000 0.984 165 E CA 0.772 57.200 56.400 0.047 0.000 0.806 165 E CB -0.140 29.576 29.700 0.027 0.000 0.750 165 E HN 0.122 nan 8.360 nan 0.000 0.458 166 L N 1.077 122.353 121.223 0.087 0.000 2.056 166 L HA -0.083 4.258 4.340 0.001 0.000 0.207 166 L C 1.769 178.737 176.870 0.163 0.000 1.078 166 L CA 1.950 56.882 54.840 0.153 0.000 0.749 166 L CB -0.564 41.592 42.059 0.162 0.000 0.901 166 L HN 0.151 nan 8.230 nan 0.000 0.433 167 E N -0.831 119.439 120.200 0.117 0.000 2.153 167 E HA -0.222 4.128 4.350 0.001 0.000 0.194 167 E C 2.251 178.951 176.600 0.167 0.000 0.988 167 E CA 0.723 57.203 56.400 0.133 0.000 0.811 167 E CB -0.197 29.581 29.700 0.128 0.000 0.746 167 E HN 0.365 nan 8.360 nan 0.000 0.466 168 R N 0.872 121.437 120.500 0.108 0.000 2.066 168 R HA -0.111 4.230 4.340 0.001 0.000 0.232 168 R C 2.231 178.557 176.300 0.043 0.000 1.131 168 R CA 1.067 57.206 56.100 0.064 0.000 0.955 168 R CB -0.310 30.009 30.300 0.032 0.000 0.851 168 R HN 0.101 nan 8.270 nan 0.000 0.432 169 V N 1.397 121.335 119.914 0.040 0.000 2.515 169 V HA -0.203 3.918 4.120 0.001 0.000 0.250 169 V C 2.258 178.441 176.094 0.148 0.000 1.058 169 V CA 1.352 63.659 62.300 0.012 0.000 1.064 169 V CB -0.305 31.426 31.823 -0.154 0.000 0.675 169 V HN 0.293 nan 8.190 nan 0.000 0.461 170 L N 0.019 121.363 121.223 0.202 0.000 2.492 170 L HA 0.126 4.466 4.340 0.001 0.000 0.223 170 L C 1.207 178.058 176.870 -0.032 0.000 1.132 170 L CA 0.549 55.484 54.840 0.157 0.000 0.850 170 L CB -0.634 41.603 42.059 0.297 0.000 0.966 170 L HN 0.543 nan 8.230 nan 0.000 0.454 171 N N -0.413 118.296 118.700 0.015 0.000 2.725 171 N HA -0.312 4.428 4.740 0.001 0.000 0.251 171 N C 0.678 176.210 175.510 0.037 0.000 1.031 171 N CA 0.252 53.288 53.050 -0.023 0.000 0.720 171 N CB -1.385 37.016 38.487 -0.144 0.000 0.930 171 N HN 0.293 nan 8.380 nan 0.000 0.543 172 F N 1.530 121.466 119.950 -0.023 0.000 2.154 172 F HA -0.018 4.509 4.527 0.001 0.000 0.301 172 F C -0.584 175.212 175.800 -0.007 0.000 1.087 172 F CA 1.850 59.855 58.000 0.008 0.000 1.274 172 F CB -0.816 38.219 39.000 0.058 0.000 1.009 172 F HN 0.294 nan 8.300 nan 0.000 0.485 173 P HA -0.200 nan 4.420 nan 0.000 0.219 173 P C 0.530 177.714 177.300 -0.193 0.000 1.146 173 P CA 1.447 64.446 63.100 -0.169 0.000 0.808 173 P CB -0.105 31.568 31.700 -0.045 0.000 0.779 174 Q N 0.109 119.816 119.800 -0.154 0.000 2.201 174 Q HA 0.158 4.499 4.340 0.001 0.000 0.236 174 Q C 0.682 176.592 176.000 -0.150 0.000 0.857 174 Q CA -0.074 55.646 55.803 -0.139 0.000 1.025 174 Q CB 0.231 28.902 28.738 -0.112 0.000 1.124 174 Q HN 0.301 nan 8.270 nan 0.000 0.473 175 S N -1.187 114.391 115.700 -0.203 0.000 2.672 175 S HA 0.331 4.801 4.470 0.001 0.000 0.276 175 S C 1.042 175.560 174.600 -0.137 0.000 1.207 175 S CA -0.607 57.504 58.200 -0.150 0.000 1.002 175 S CB 1.518 64.648 63.200 -0.116 0.000 0.998 175 S HN 0.062 nan 8.310 nan 0.000 0.542 176 N N -0.089 118.575 118.700 -0.061 0.000 2.106 176 N HA -0.095 4.645 4.740 0.001 0.000 0.188 176 N C 1.653 177.134 175.510 -0.047 0.000 1.029 176 N CA 1.242 54.268 53.050 -0.040 0.000 0.848 176 N CB -0.796 37.694 38.487 0.004 0.000 1.007 176 N HN 0.663 nan 8.380 nan 0.000 0.423 177 L N 1.062 122.273 121.223 -0.020 0.000 2.013 177 L HA -0.173 4.168 4.340 0.001 0.000 0.212 177 L C 2.755 179.564 176.870 -0.102 0.000 1.073 177 L CA 1.716 56.558 54.840 0.003 0.000 0.753 177 L CB -1.163 40.979 42.059 0.139 0.000 0.890 177 L HN 0.259 nan 8.230 nan 0.000 0.432 178 c N -0.807 117.614 118.600 -0.298 0.000 2.476 178 c HA -0.076 4.495 4.570 0.001 0.000 0.278 178 c C 2.695 176.667 174.090 -0.198 0.000 1.274 178 c CA 0.802 56.907 56.329 -0.374 0.000 1.713 178 c CB -1.113 40.974 42.510 -0.705 0.000 2.039 178 c HN 0.614 nan 8.230 nan 0.000 0.484 179 L N 0.532 121.656 121.223 -0.165 0.000 2.046 179 L HA -0.098 4.243 4.340 0.001 0.000 0.208 179 L C 2.306 179.136 176.870 -0.068 0.000 1.077 179 L CA 1.559 56.336 54.840 -0.104 0.000 0.747 179 L CB -0.670 41.336 42.059 -0.089 0.000 0.896 179 L HN 0.342 nan 8.230 nan 0.000 0.432 180 K N 0.484 120.851 120.400 -0.054 0.000 2.551 180 K HA 0.045 4.366 4.320 0.001 0.000 0.204 180 K C 0.455 177.040 176.600 -0.025 0.000 1.033 180 K CA -0.204 56.065 56.287 -0.031 0.000 1.187 180 K CB -0.043 32.447 32.500 -0.017 0.000 0.900 180 K HN 0.168 nan 8.250 nan 0.000 0.499 181 R N 1.597 122.075 120.500 -0.037 0.000 2.570 181 R HA -0.056 4.285 4.340 0.001 0.000 0.277 181 R C 0.546 176.836 176.300 -0.016 0.000 1.039 181 R CA 0.399 56.485 56.100 -0.024 0.000 1.065 181 R CB 0.487 30.765 30.300 -0.037 0.000 0.964 181 R HN 0.195 nan 8.270 nan 0.000 0.428 182 E N 2.737 122.933 120.200 -0.006 0.000 2.086 182 E HA -0.111 4.240 4.350 0.001 0.000 0.190 182 E C -0.084 176.514 176.600 -0.004 0.000 0.975 182 E CA 0.996 57.393 56.400 -0.004 0.000 0.813 182 E CB 0.220 29.920 29.700 0.001 0.000 0.768 182 E HN 0.450 nan 8.360 nan 0.000 0.457 183 K N 1.476 121.875 120.400 -0.002 0.000 2.518 183 K HA 0.127 4.447 4.320 0.001 0.000 0.244 183 K C 0.185 176.782 176.600 -0.004 0.000 1.232 183 K CA 0.142 56.428 56.287 -0.001 0.000 1.189 183 K CB 0.160 32.662 32.500 0.003 0.000 1.737 183 K HN -0.030 nan 8.250 nan 0.000 0.333 184 Q N 0.487 120.281 119.800 -0.009 0.000 2.431 184 Q HA -0.075 4.265 4.340 0.001 0.000 0.210 184 Q C 0.469 176.463 176.000 -0.010 0.000 0.958 184 Q CA 0.193 55.988 55.803 -0.014 0.000 0.957 184 Q CB 0.139 28.865 28.738 -0.021 0.000 1.007 184 Q HN 0.555 nan 8.270 nan 0.000 0.511 185 D N 1.013 121.409 120.400 -0.006 0.000 2.269 185 D HA -0.068 4.572 4.640 0.001 0.000 0.208 185 D C -0.009 176.290 176.300 -0.002 0.000 0.963 185 D CA 0.846 54.844 54.000 -0.004 0.000 0.864 185 D CB 0.485 41.283 40.800 -0.002 0.000 0.936 185 D HN 0.274 nan 8.370 nan 0.000 0.505 186 E N -0.734 119.466 120.200 -0.000 0.000 2.299 186 E HA 0.342 4.692 4.350 0.001 0.000 0.260 186 E C -0.824 175.780 176.600 0.006 0.000 0.944 186 E CA -0.801 55.601 56.400 0.004 0.000 0.815 186 E CB 1.688 31.392 29.700 0.008 0.000 1.252 186 E HN -0.174 nan 8.360 nan 0.000 0.418 187 S N 0.159 115.867 115.700 0.014 0.000 2.580 187 S HA 0.083 4.553 4.470 0.001 0.000 0.274 187 S C -0.100 174.527 174.600 0.044 0.000 1.329 187 S CA -0.700 57.513 58.200 0.021 0.000 1.036 187 S CB 0.232 63.449 63.200 0.028 0.000 0.919 187 S HN 0.525 nan 8.310 nan 0.000 0.515 188 c N 3.875 122.502 118.600 0.045 0.000 2.633 188 c HA 0.494 5.065 4.570 0.001 0.000 0.415 188 c C 0.752 175.005 174.090 0.271 0.000 1.393 188 c CA -0.144 56.246 56.329 0.101 0.000 1.700 188 c CB -0.829 41.639 42.510 -0.071 0.000 2.541 188 c HN 0.784 nan 8.230 nan 0.000 0.603 189 S N 3.550 119.447 115.700 0.329 0.000 2.619 189 S HA 0.416 4.886 4.470 0.001 0.000 0.280 189 S C 0.434 175.114 174.600 0.133 0.000 1.150 189 S CA -0.801 57.528 58.200 0.214 0.000 0.978 189 S CB 0.666 63.904 63.200 0.063 0.000 1.041 189 S HN 0.681 nan 8.310 nan 0.000 0.485 190 L N 3.356 124.483 121.223 -0.160 0.000 2.012 190 L HA -0.093 4.247 4.340 0.001 0.000 0.210 190 L C 2.916 179.655 176.870 -0.218 0.000 1.073 190 L CA 2.140 56.789 54.840 -0.318 0.000 0.748 190 L CB -0.774 41.027 42.059 -0.431 0.000 0.891 190 L HN 0.950 nan 8.230 nan 0.000 0.431 191 T N -3.992 110.342 114.554 -0.366 0.000 2.915 191 T HA -0.240 4.111 4.350 0.001 0.000 0.269 191 T C 1.725 176.327 174.700 -0.164 0.000 1.071 191 T CA 1.183 63.054 62.100 -0.382 0.000 1.132 191 T CB -0.097 68.431 68.868 -0.567 0.000 0.878 191 T HN 0.168 nan 8.240 nan 0.000 0.479 192 Q N 1.151 120.896 119.800 -0.092 0.000 2.123 192 Q HA 0.402 4.742 4.340 0.001 0.000 0.196 192 Q C 2.508 178.514 176.000 0.010 0.000 0.958 192 Q CA 1.333 57.120 55.803 -0.028 0.000 0.841 192 Q CB -0.726 28.012 28.738 -0.000 0.000 0.915 192 Q HN 0.641 nan 8.270 nan 0.000 0.455 193 A N -0.359 122.493 122.820 0.053 0.000 1.969 193 A HA 0.024 4.345 4.320 0.001 0.000 0.218 193 A C 0.524 178.146 177.584 0.062 0.000 1.169 193 A CA 0.837 52.929 52.037 0.092 0.000 0.635 193 A CB -0.072 19.055 19.000 0.211 0.000 0.810 193 A HN 0.324 nan 8.150 nan 0.000 0.445 194 L N 1.284 122.523 121.223 0.028 0.000 2.495 194 L HA 0.282 4.623 4.340 0.001 0.000 0.248 194 L C -2.643 174.224 176.870 -0.004 0.000 1.229 194 L CA -1.953 52.900 54.840 0.022 0.000 0.942 194 L CB 1.446 43.526 42.059 0.035 0.000 1.242 194 L HN 0.046 nan 8.230 nan 0.000 0.484 195 P HA 0.010 nan 4.420 nan 0.000 0.264 195 P C -0.353 176.950 177.300 0.005 0.000 1.193 195 P CA 0.195 63.291 63.100 -0.008 0.000 0.763 195 P CB 1.105 32.804 31.700 -0.001 0.000 0.810 196 S N 2.753 118.459 115.700 0.010 0.000 2.438 196 S HA 0.258 4.729 4.470 0.001 0.000 0.293 196 S C 0.034 174.644 174.600 0.017 0.000 1.141 196 S CA -0.559 57.657 58.200 0.027 0.000 1.080 196 S CB 0.747 63.983 63.200 0.061 0.000 0.978 196 S HN 0.403 nan 8.310 nan 0.000 0.479 197 E N 1.341 121.546 120.200 0.007 0.000 2.244 197 E HA 0.412 4.762 4.350 0.001 0.000 0.266 197 E C -1.150 175.439 176.600 -0.018 0.000 0.914 197 E CA -0.992 55.405 56.400 -0.005 0.000 0.794 197 E CB 1.766 31.463 29.700 -0.005 0.000 1.210 197 E HN 0.282 nan 8.360 nan 0.000 0.414 198 L N 2.648 123.853 121.223 -0.029 0.000 2.265 198 L HA 0.265 4.605 4.340 0.001 0.000 0.288 198 L C -1.077 175.769 176.870 -0.040 0.000 1.058 198 L CA -0.255 54.557 54.840 -0.046 0.000 0.809 198 L CB 0.334 42.358 42.059 -0.059 0.000 1.179 198 L HN 0.243 nan 8.230 nan 0.000 0.429 199 K N 5.267 125.641 120.400 -0.044 0.000 2.394 199 K HA 0.530 4.850 4.320 0.001 0.000 0.260 199 K C -1.345 175.227 176.600 -0.047 0.000 0.967 199 K CA -0.496 55.767 56.287 -0.039 0.000 0.855 199 K CB 1.987 34.467 32.500 -0.033 0.000 1.101 199 K HN 0.369 nan 8.250 nan 0.000 0.433 200 V N 2.275 122.163 119.914 -0.043 0.000 2.448 200 V HA 0.471 4.591 4.120 0.001 0.000 0.295 200 V C 0.004 176.075 176.094 -0.039 0.000 1.025 200 V CA -0.638 61.634 62.300 -0.047 0.000 0.859 200 V CB 1.601 33.395 31.823 -0.049 0.000 0.988 200 V HN 0.902 nan 8.190 nan 0.000 0.431 201 S N 3.249 118.925 115.700 -0.039 0.000 2.667 201 S HA 0.768 5.239 4.470 0.001 0.000 0.292 201 S C 1.021 175.601 174.600 -0.034 0.000 1.126 201 S CA -0.078 58.102 58.200 -0.033 0.000 0.881 201 S CB 1.962 65.144 63.200 -0.030 0.000 1.132 201 S HN 1.051 nan 8.310 nan 0.000 0.492 202 A N 0.822 123.625 122.820 -0.029 0.000 1.986 202 A HA -0.133 4.188 4.320 0.001 0.000 0.220 202 A C 1.411 178.977 177.584 -0.029 0.000 1.171 202 A CA 2.208 54.229 52.037 -0.028 0.000 0.640 202 A CB -1.008 17.978 19.000 -0.023 0.000 0.811 202 A HN 0.963 nan 8.150 nan 0.000 0.451 203 D N -3.164 117.218 120.400 -0.030 0.000 2.469 203 D HA 0.244 4.884 4.640 0.001 0.000 0.213 203 D C 0.019 176.297 176.300 -0.038 0.000 1.135 203 D CA -0.017 53.965 54.000 -0.030 0.000 0.834 203 D CB -0.344 40.442 40.800 -0.024 0.000 1.009 203 D HN 0.333 nan 8.370 nan 0.000 0.507 204 N N -0.939 117.735 118.700 -0.043 0.000 2.859 204 N HA 0.453 5.194 4.740 0.001 0.000 0.250 204 N C -2.264 173.209 175.510 -0.061 0.000 1.341 204 N CA -0.651 52.367 53.050 -0.054 0.000 0.881 204 N CB 2.004 40.461 38.487 -0.050 0.000 1.516 204 N HN -0.170 nan 8.380 nan 0.000 0.503 205 V N 1.104 120.973 119.914 -0.076 0.000 2.760 205 V HA 0.854 4.975 4.120 0.001 0.000 0.309 205 V C -0.736 175.302 176.094 -0.094 0.000 1.077 205 V CA -0.478 61.771 62.300 -0.085 0.000 0.910 205 V CB 1.513 33.276 31.823 -0.100 0.000 1.008 205 V HN 0.919 nan 8.190 nan 0.000 0.424 206 S N 4.655 120.306 115.700 -0.083 0.000 2.625 206 S HA 0.821 5.292 4.470 0.001 0.000 0.271 206 S C -1.955 172.605 174.600 -0.067 0.000 1.161 206 S CA -0.831 57.321 58.200 -0.080 0.000 0.820 206 S CB 2.095 65.258 63.200 -0.061 0.000 1.137 206 S HN 0.391 nan 8.310 nan 0.000 0.470 207 L N 2.845 124.035 121.223 -0.054 0.000 2.349 207 L HA 0.640 4.980 4.340 0.001 0.000 0.278 207 L C 0.810 177.677 176.870 -0.004 0.000 0.996 207 L CA 0.013 54.835 54.840 -0.030 0.000 0.825 207 L CB 1.414 43.461 42.059 -0.021 0.000 1.243 207 L HN 1.207 nan 8.230 nan 0.000 0.412 208 T N -0.048 114.507 114.554 0.003 0.000 2.814 208 T HA 0.805 5.156 4.350 0.001 0.000 0.284 208 T C 0.651 175.372 174.700 0.034 0.000 0.998 208 T CA 0.217 62.325 62.100 0.014 0.000 0.935 208 T CB 1.634 70.507 68.868 0.009 0.000 1.167 208 T HN 1.109 nan 8.240 nan 0.000 0.545 209 G N 0.317 109.140 108.800 0.038 0.000 2.553 209 G HA2 0.069 4.030 3.960 0.001 0.000 0.242 209 G HA3 0.069 4.030 3.960 0.001 0.000 0.242 209 G C 1.004 175.950 174.900 0.076 0.000 1.277 209 G CA 0.477 45.605 45.100 0.047 0.000 0.910 209 G HN 1.640 nan 8.290 nan 0.000 0.576 210 A N -1.223 121.641 122.820 0.074 0.000 2.015 210 A HA 0.288 4.609 4.320 0.001 0.000 0.219 210 A C 2.729 180.501 177.584 0.313 0.000 1.163 210 A CA 2.968 55.089 52.037 0.140 0.000 0.646 210 A CB -0.465 18.520 19.000 -0.025 0.000 0.806 210 A HN 1.518 nan 8.150 nan 0.000 0.448 211 V N 0.961 121.047 119.914 0.288 0.000 2.261 211 V HA -0.263 3.857 4.120 0.001 0.000 0.246 211 V C 2.992 179.213 176.094 0.211 0.000 1.047 211 V CA 2.522 65.025 62.300 0.339 0.000 1.015 211 V CB -0.944 31.043 31.823 0.272 0.000 0.642 211 V HN 0.780 nan 8.190 nan 0.000 0.446 212 S N 0.023 115.805 115.700 0.137 0.000 2.406 212 S HA -0.115 4.356 4.470 0.001 0.000 0.228 212 S C 1.892 176.552 174.600 0.099 0.000 1.020 212 S CA 1.309 59.564 58.200 0.092 0.000 0.965 212 S CB -0.485 62.743 63.200 0.046 0.000 0.798 212 S HN 0.383 nan 8.310 nan 0.000 0.488 213 L N 2.448 123.737 121.223 0.110 0.000 2.005 213 L HA 0.177 4.517 4.340 0.001 0.000 0.207 213 L C 2.690 179.628 176.870 0.113 0.000 1.072 213 L CA 1.837 56.736 54.840 0.098 0.000 0.744 213 L CB -1.358 40.767 42.059 0.109 0.000 0.895 213 L HN 0.302 nan 8.230 nan 0.000 0.433 214 A N -1.321 121.598 122.820 0.165 0.000 1.892 214 A HA -0.283 4.038 4.320 0.001 0.000 0.218 214 A C 2.553 180.203 177.584 0.110 0.000 1.188 214 A CA 2.252 54.370 52.037 0.135 0.000 0.631 214 A CB -1.346 17.724 19.000 0.116 0.000 0.822 214 A HN 0.582 nan 8.150 nan 0.000 0.447 215 S N -1.226 114.562 115.700 0.146 0.000 2.382 215 S HA -0.195 4.276 4.470 0.001 0.000 0.228 215 S C 2.080 176.863 174.600 0.306 0.000 1.027 215 S CA 1.831 60.172 58.200 0.235 0.000 0.991 215 S CB -0.396 62.919 63.200 0.193 0.000 0.823 215 S HN 0.607 nan 8.310 nan 0.000 0.469 216 M N -0.071 119.625 119.600 0.159 0.000 2.160 216 M HA 0.015 4.495 4.480 0.001 0.000 0.264 216 M C 1.698 177.963 176.300 -0.058 0.000 1.073 216 M CA 1.184 56.529 55.300 0.076 0.000 1.142 216 M CB -0.199 32.409 32.600 0.013 0.000 1.358 216 M HN 0.342 nan 8.290 nan 0.000 0.422 217 L N 0.753 121.922 121.223 -0.090 0.000 2.042 217 L HA -0.183 4.157 4.340 0.001 0.000 0.210 217 L C 2.810 179.396 176.870 -0.474 0.000 1.076 217 L CA 2.459 57.138 54.840 -0.268 0.000 0.749 217 L CB -1.554 40.461 42.059 -0.073 0.000 0.893 217 L HN 0.526 nan 8.230 nan 0.000 0.432 218 T N -3.633 110.835 114.554 -0.144 0.000 2.867 218 T HA -0.194 4.156 4.350 0.001 0.000 0.268 218 T C 1.753 176.471 174.700 0.029 0.000 1.057 218 T CA 1.121 63.248 62.100 0.045 0.000 1.136 218 T CB -0.281 68.688 68.868 0.169 0.000 0.874 218 T HN 0.232 nan 8.240 nan 0.000 0.466 219 E N 1.602 121.743 120.200 -0.098 0.000 2.110 219 E HA -0.031 4.319 4.350 0.001 0.000 0.193 219 E C 1.976 178.536 176.600 -0.066 0.000 0.988 219 E CA 1.003 57.276 56.400 -0.212 0.000 0.804 219 E CB -0.724 28.798 29.700 -0.297 0.000 0.745 219 E HN 0.665 nan 8.360 nan 0.000 0.458 220 I N -0.056 120.446 120.570 -0.115 0.000 2.226 220 I HA -0.234 3.937 4.170 0.001 0.000 0.245 220 I C 1.689 177.920 176.117 0.190 0.000 1.100 220 I CA 0.772 62.038 61.300 -0.056 0.000 1.374 220 I CB -0.343 37.515 38.000 -0.237 0.000 1.057 220 I HN 0.107 nan 8.210 nan 0.000 0.413 221 F N 0.521 120.626 119.950 0.258 0.000 2.134 221 F HA -0.218 4.310 4.527 0.001 0.000 0.299 221 F C 2.343 178.414 175.800 0.452 0.000 1.097 221 F CA 1.214 59.405 58.000 0.320 0.000 1.264 221 F CB -1.141 38.002 39.000 0.239 0.000 1.001 221 F HN 0.007 nan 8.300 nan 0.000 0.479 222 L N -0.664 120.884 121.223 0.542 0.000 2.046 222 L HA -0.199 4.141 4.340 0.001 0.000 0.208 222 L C 2.214 179.190 176.870 0.177 0.000 1.077 222 L CA 1.169 56.159 54.840 0.250 0.000 0.747 222 L CB -0.525 41.586 42.059 0.088 0.000 0.896 222 L HN -0.022 nan 8.230 nan 0.000 0.432 223 L N -0.237 121.123 121.223 0.228 0.000 2.012 223 L HA -0.270 4.071 4.340 0.001 0.000 0.210 223 L C 2.643 179.817 176.870 0.508 0.000 1.073 223 L CA 1.828 56.859 54.840 0.319 0.000 0.748 223 L CB -1.366 40.829 42.059 0.226 0.000 0.891 223 L HN 0.444 nan 8.230 nan 0.000 0.431 224 Q N -1.384 118.722 119.800 0.509 0.000 2.096 224 Q HA -0.299 4.042 4.340 0.001 0.000 0.204 224 Q C 2.203 178.288 176.000 0.141 0.000 0.982 224 Q CA 1.783 57.748 55.803 0.269 0.000 0.850 224 Q CB -0.217 28.682 28.738 0.268 0.000 0.901 224 Q HN 0.448 nan 8.270 nan 0.000 0.422 225 Q N 0.745 120.659 119.800 0.190 0.000 2.020 225 Q HA -0.158 4.183 4.340 0.001 0.000 0.202 225 Q C 1.952 177.956 176.000 0.006 0.000 0.982 225 Q CA 1.981 57.826 55.803 0.070 0.000 0.838 225 Q CB -0.467 28.197 28.738 -0.124 0.000 0.899 225 Q HN 0.370 nan 8.270 nan 0.000 0.423 226 A N -0.106 122.728 122.820 0.023 0.000 1.972 226 A HA -0.210 4.110 4.320 0.001 0.000 0.219 226 A C 2.025 179.648 177.584 0.065 0.000 1.169 226 A CA 1.741 53.797 52.037 0.033 0.000 0.635 226 A CB -0.712 18.324 19.000 0.060 0.000 0.810 226 A HN 0.500 nan 8.150 nan 0.000 0.446 227 Q N -0.785 119.075 119.800 0.099 0.000 2.436 227 Q HA 0.184 4.525 4.340 0.001 0.000 0.209 227 Q C 1.098 177.076 176.000 -0.036 0.000 0.965 227 Q CA 1.229 57.060 55.803 0.047 0.000 0.910 227 Q CB -0.490 28.219 28.738 -0.049 0.000 0.980 227 Q HN 1.065 nan 8.270 nan 0.000 0.491 228 G N -0.057 108.727 108.800 -0.026 0.000 2.136 228 G HA2 -0.288 3.672 3.960 0.001 0.000 0.242 228 G HA3 -0.288 3.672 3.960 0.001 0.000 0.242 228 G C -0.029 174.832 174.900 -0.065 0.000 0.989 228 G CA 0.329 45.410 45.100 -0.032 0.000 0.682 228 G HN 0.310 nan 8.290 nan 0.000 0.522 229 M N -0.022 119.514 119.600 -0.108 0.000 2.248 229 M HA 0.153 4.634 4.480 0.001 0.000 0.337 229 M C -0.295 175.966 176.300 -0.064 0.000 1.121 229 M CA -1.025 54.192 55.300 -0.139 0.000 1.155 229 M CB 0.232 32.699 32.600 -0.223 0.000 1.514 229 M HN -0.085 nan 8.290 nan 0.000 0.452 230 P HA -0.182 nan 4.420 nan 0.000 0.214 230 P C -0.528 176.766 177.300 -0.009 0.000 1.172 230 P CA 1.564 64.648 63.100 -0.027 0.000 0.925 230 P CB 0.224 31.908 31.700 -0.027 0.000 0.793 231 E N -1.588 118.598 120.200 -0.024 0.000 2.873 231 E HA 0.259 4.610 4.350 0.001 0.000 0.232 231 E C -2.568 173.991 176.600 -0.068 0.000 1.123 231 E CA -2.009 54.380 56.400 -0.019 0.000 0.809 231 E CB 0.983 30.680 29.700 -0.005 0.000 1.366 231 E HN 0.145 nan 8.360 nan 0.000 0.400 232 P HA -0.024 nan 4.420 nan 0.000 0.264 232 P C 0.649 177.816 177.300 -0.222 0.000 1.183 232 P CA 0.771 63.869 63.100 -0.002 0.000 0.763 232 P CB 0.620 32.470 31.700 0.250 0.000 0.807 233 G N 3.294 111.826 108.800 -0.445 0.000 2.273 233 G HA2 -0.231 3.730 3.960 0.001 0.000 0.280 233 G HA3 -0.231 3.730 3.960 0.001 0.000 0.280 233 G C 0.188 174.918 174.900 -0.283 0.000 1.047 233 G CA -0.073 44.560 45.100 -0.777 0.000 0.869 233 G HN 0.616 nan 8.290 nan 0.000 0.502 234 W N -2.009 119.215 121.300 -0.126 0.000 5.271 234 W HA -0.230 4.430 4.660 0.000 0.000 0.364 234 W C 1.526 177.983 176.519 -0.105 0.000 1.342 234 W CA 1.487 58.767 57.345 -0.107 0.000 0.899 234 W CB -2.043 27.337 29.460 -0.134 0.000 2.450 234 W HN 2.154 nan 8.180 nan 0.000 1.508 235 G N -0.743 108.060 108.800 0.005 0.000 2.168 235 G HA2 -0.405 3.555 3.960 0.001 0.000 0.263 235 G HA3 -0.405 3.555 3.960 0.001 0.000 0.263 235 G C 0.969 175.846 174.900 -0.039 0.000 0.977 235 G CA 0.825 45.920 45.100 -0.008 0.000 0.659 235 G HN 0.345 nan 8.290 nan 0.000 0.533 236 R N -0.415 120.041 120.500 -0.074 0.000 2.310 236 R HA 0.406 4.746 4.340 0.001 0.000 0.202 236 R C 0.981 177.157 176.300 -0.207 0.000 0.933 236 R CA 0.274 56.309 56.100 -0.108 0.000 1.054 236 R CB 0.136 30.389 30.300 -0.078 0.000 0.985 236 R HN 0.523 nan 8.270 nan 0.000 0.489 237 I N 1.041 121.435 120.570 -0.293 0.000 2.337 237 I HA 0.114 4.284 4.170 0.001 0.000 0.285 237 I C 0.681 176.654 176.117 -0.241 0.000 1.041 237 I CA -0.180 60.852 61.300 -0.446 0.000 1.199 237 I CB 1.694 39.146 38.000 -0.912 0.000 1.370 237 I HN 0.099 nan 8.210 nan 0.000 0.470 238 T N -0.135 114.330 114.554 -0.149 0.000 3.023 238 T HA 0.222 4.572 4.350 0.001 0.000 0.253 238 T C 0.021 174.747 174.700 0.042 0.000 1.038 238 T CA -0.159 61.926 62.100 -0.025 0.000 0.962 238 T CB -0.279 68.577 68.868 -0.020 0.000 1.018 238 T HN 0.650 nan 8.240 nan 0.000 0.521 239 D N -0.348 120.076 120.400 0.040 0.000 2.583 239 D HA 0.421 5.061 4.640 0.001 0.000 0.248 239 D C 1.091 177.545 176.300 0.256 0.000 1.209 239 D CA -0.259 53.826 54.000 0.141 0.000 0.848 239 D CB 1.040 41.897 40.800 0.095 0.000 1.431 239 D HN -0.073 nan 8.370 nan 0.000 0.436 240 S N -0.723 115.147 115.700 0.283 0.000 2.399 240 S HA -0.327 4.144 4.470 0.001 0.000 0.231 240 S C 1.635 176.385 174.600 0.251 0.000 1.022 240 S CA 1.221 59.607 58.200 0.309 0.000 0.983 240 S CB -0.802 62.511 63.200 0.188 0.000 0.803 240 S HN 0.647 nan 8.310 nan 0.000 0.480 241 H N 1.597 120.732 119.070 0.108 0.000 2.389 241 H HA 0.027 4.583 4.556 0.001 0.000 0.299 241 H C 2.077 177.432 175.328 0.046 0.000 1.081 241 H CA 1.926 58.014 56.048 0.066 0.000 1.345 241 H CB -0.228 29.555 29.762 0.035 0.000 1.393 241 H HN 0.620 nan 8.280 nan 0.000 0.520 242 Q N -0.890 119.006 119.800 0.159 0.000 2.123 242 Q HA -0.154 4.187 4.340 0.001 0.000 0.199 242 Q C 2.272 178.228 176.000 -0.073 0.000 0.966 242 Q CA 1.187 56.991 55.803 0.001 0.000 0.845 242 Q CB -0.147 28.508 28.738 -0.138 0.000 0.907 242 Q HN 0.501 nan 8.270 nan 0.000 0.439 243 W N 1.627 122.941 121.300 0.023 0.000 2.355 243 W HA -0.151 4.509 4.660 0.000 0.000 0.309 243 W C 2.065 178.581 176.519 -0.005 0.000 1.206 243 W CA 0.618 57.974 57.345 0.018 0.000 1.284 243 W CB -0.132 29.341 29.460 0.022 0.000 1.145 243 W HN 0.175 nan 8.180 nan 0.000 0.502 244 N N -0.525 118.291 118.700 0.193 0.000 2.084 244 N HA -0.133 4.608 4.740 0.001 0.000 0.190 244 N C 1.538 177.040 175.510 -0.012 0.000 1.030 244 N CA 2.166 55.248 53.050 0.053 0.000 0.849 244 N CB -1.132 37.329 38.487 -0.044 0.000 1.012 244 N HN 0.081 nan 8.380 nan 0.000 0.423 245 T N 2.285 116.797 114.554 -0.069 0.000 2.720 245 T HA -0.036 4.314 4.350 0.001 0.000 0.268 245 T C 2.188 176.871 174.700 -0.028 0.000 1.037 245 T CA 0.755 62.811 62.100 -0.073 0.000 1.144 245 T CB -0.224 68.613 68.868 -0.051 0.000 0.864 245 T HN 0.133 nan 8.240 nan 0.000 0.444 246 L N 0.348 121.580 121.223 0.015 0.000 2.027 246 L HA -0.020 4.321 4.340 0.001 0.000 0.206 246 L C 2.446 179.372 176.870 0.094 0.000 1.074 246 L CA 0.759 55.635 54.840 0.059 0.000 0.745 246 L CB -0.481 41.637 42.059 0.098 0.000 0.898 246 L HN 0.218 nan 8.230 nan 0.000 0.433 247 L N 0.063 121.368 121.223 0.137 0.000 2.275 247 L HA -0.135 4.205 4.340 0.001 0.000 0.215 247 L C 2.876 179.801 176.870 0.093 0.000 1.119 247 L CA 1.867 56.790 54.840 0.137 0.000 0.790 247 L CB -1.233 40.908 42.059 0.137 0.000 0.919 247 L HN 0.444 nan 8.230 nan 0.000 0.443 248 S N -0.569 115.146 115.700 0.025 0.000 2.400 248 S HA -0.189 4.281 4.470 0.001 0.000 0.232 248 S C 1.938 176.522 174.600 -0.026 0.000 1.025 248 S CA 0.732 58.919 58.200 -0.022 0.000 0.993 248 S CB -0.443 62.714 63.200 -0.072 0.000 0.808 248 S HN 0.253 nan 8.310 nan 0.000 0.478 249 L N 1.353 122.548 121.223 -0.048 0.000 2.141 249 L HA 0.084 4.425 4.340 0.001 0.000 0.209 249 L C 2.449 179.359 176.870 0.067 0.000 1.094 249 L CA 1.699 56.483 54.840 -0.093 0.000 0.763 249 L CB -1.448 40.468 42.059 -0.239 0.000 0.908 249 L HN 0.523 nan 8.230 nan 0.000 0.437 250 H N -0.486 118.602 119.070 0.030 0.000 2.307 250 H HA -0.039 4.517 4.556 0.001 0.000 0.303 250 H C 2.012 177.411 175.328 0.119 0.000 1.073 250 H CA 1.676 57.774 56.048 0.084 0.000 1.338 250 H CB 0.206 29.976 29.762 0.014 0.000 1.389 250 H HN 0.219 nan 8.280 nan 0.000 0.503 251 N N 0.534 119.272 118.700 0.064 0.000 2.223 251 N HA -0.119 4.621 4.740 0.001 0.000 0.185 251 N C 1.901 177.488 175.510 0.129 0.000 1.016 251 N CA 1.083 54.143 53.050 0.018 0.000 0.863 251 N CB -0.476 38.009 38.487 -0.003 0.000 0.983 251 N HN 0.514 nan 8.380 nan 0.000 0.429 252 A N 1.179 124.086 122.820 0.144 0.000 1.902 252 A HA -0.206 4.115 4.320 0.001 0.000 0.217 252 A C 2.217 180.036 177.584 0.392 0.000 1.181 252 A CA 1.597 53.805 52.037 0.286 0.000 0.623 252 A CB -0.653 18.478 19.000 0.218 0.000 0.818 252 A HN 0.426 nan 8.150 nan 0.000 0.443 253 Q N -1.755 118.206 119.800 0.268 0.000 2.119 253 Q HA -0.138 4.202 4.340 0.001 0.000 0.201 253 Q C 1.603 177.654 176.000 0.085 0.000 0.972 253 Q CA 1.590 57.488 55.803 0.158 0.000 0.847 253 Q CB -0.273 28.525 28.738 0.101 0.000 0.903 253 Q HN 0.540 nan 8.270 nan 0.000 0.433 254 F N -0.387 119.523 119.950 -0.067 0.000 2.234 254 F HA -0.119 4.409 4.527 0.001 0.000 0.299 254 F C 2.055 177.847 175.800 -0.014 0.000 1.087 254 F CA 1.058 59.013 58.000 -0.074 0.000 1.340 254 F CB -0.627 38.306 39.000 -0.113 0.000 1.031 254 F HN 0.233 nan 8.300 nan 0.000 0.500 255 Y N 0.028 120.389 120.300 0.102 0.000 2.128 255 Y HA -0.240 4.310 4.550 0.000 0.000 0.284 255 Y C 2.033 177.917 175.900 -0.026 0.000 1.154 255 Y CA 1.529 59.648 58.100 0.032 0.000 1.149 255 Y CB -0.504 38.001 38.460 0.075 0.000 0.976 255 Y HN -0.042 nan 8.280 nan 0.000 0.505 256 L N -0.201 120.977 121.223 -0.076 0.000 2.023 256 L HA -0.136 4.205 4.340 0.001 0.000 0.205 256 L C 2.317 179.037 176.870 -0.250 0.000 1.073 256 L CA 1.679 56.360 54.840 -0.265 0.000 0.745 256 L CB -1.123 40.766 42.059 -0.283 0.000 0.900 256 L HN 0.310 nan 8.230 nan 0.000 0.435 257 L N -1.734 119.363 121.223 -0.210 0.000 2.249 257 L HA -0.047 4.293 4.340 0.001 0.000 0.207 257 L C 2.169 178.907 176.870 -0.220 0.000 1.090 257 L CA 0.466 55.171 54.840 -0.224 0.000 0.802 257 L CB -0.296 41.606 42.059 -0.260 0.000 0.947 257 L HN 0.288 nan 8.230 nan 0.000 0.453 258 Q N -0.596 119.076 119.800 -0.212 0.000 2.402 258 Q HA 0.115 4.456 4.340 0.001 0.000 0.231 258 Q C 2.084 178.036 176.000 -0.080 0.000 0.888 258 Q CA 0.441 56.158 55.803 -0.144 0.000 0.938 258 Q CB 0.541 29.200 28.738 -0.132 0.000 1.086 258 Q HN 0.408 nan 8.270 nan 0.000 0.543 259 R N 0.352 120.790 120.500 -0.104 0.000 2.173 259 R HA 0.127 4.467 4.340 0.001 0.000 0.208 259 R C 0.287 176.484 176.300 -0.171 0.000 1.035 259 R CA 0.276 56.306 56.100 -0.115 0.000 1.004 259 R CB 0.112 30.343 30.300 -0.115 0.000 0.917 259 R HN 0.028 nan 8.270 nan 0.000 0.462 260 T N 3.324 117.735 114.554 -0.239 0.000 2.800 260 T HA -0.018 4.333 4.350 0.001 0.000 0.283 260 T C -1.858 172.760 174.700 -0.137 0.000 0.999 260 T CA -0.733 61.232 62.100 -0.225 0.000 1.176 260 T CB 0.991 69.723 68.868 -0.227 0.000 0.973 260 T HN 0.019 nan 8.240 nan 0.000 0.519 261 P HA -0.129 nan 4.420 nan 0.000 0.216 261 P C 1.289 178.549 177.300 -0.066 0.000 1.154 261 P CA 0.962 64.019 63.100 -0.072 0.000 0.865 261 P CB 0.178 31.843 31.700 -0.059 0.000 0.789 262 E N -1.396 118.759 120.200 -0.074 0.000 2.333 262 E HA -0.086 4.265 4.350 0.001 0.000 0.198 262 E C 1.704 178.265 176.600 -0.066 0.000 1.007 262 E CA 0.740 57.100 56.400 -0.065 0.000 0.845 262 E CB -0.624 29.036 29.700 -0.067 0.000 0.766 262 E HN 0.148 nan 8.360 nan 0.000 0.507 263 V N -0.754 119.114 119.914 -0.077 0.000 3.013 263 V HA 0.147 4.268 4.120 0.001 0.000 0.238 263 V C 1.937 177.995 176.094 -0.060 0.000 1.161 263 V CA 0.902 63.157 62.300 -0.074 0.000 1.170 263 V CB -0.190 31.575 31.823 -0.096 0.000 0.917 263 V HN 0.268 nan 8.190 nan 0.000 0.478 264 A N 0.714 123.498 122.820 -0.060 0.000 1.865 264 A HA -0.230 4.090 4.320 0.001 0.000 0.217 264 A C 2.306 179.875 177.584 -0.024 0.000 1.191 264 A CA 1.968 53.983 52.037 -0.036 0.000 0.623 264 A CB -0.518 18.462 19.000 -0.033 0.000 0.826 264 A HN 0.459 nan 8.150 nan 0.000 0.444 265 R N -0.357 120.125 120.500 -0.031 0.000 2.080 265 R HA -0.115 4.226 4.340 0.001 0.000 0.236 265 R C 2.595 178.875 176.300 -0.032 0.000 1.137 265 R CA 1.727 57.809 56.100 -0.030 0.000 0.943 265 R CB -0.669 29.610 30.300 -0.035 0.000 0.846 265 R HN 0.526 nan 8.270 nan 0.000 0.431 266 S N 0.476 116.155 115.700 -0.035 0.000 2.348 266 S HA -0.147 4.324 4.470 0.001 0.000 0.221 266 S C 1.896 176.479 174.600 -0.029 0.000 1.033 266 S CA 1.133 59.313 58.200 -0.034 0.000 1.010 266 S CB -0.226 62.953 63.200 -0.035 0.000 0.891 266 S HN 0.301 nan 8.310 nan 0.000 0.442 267 R N 0.671 121.156 120.500 -0.027 0.000 2.193 267 R HA -0.007 4.333 4.340 0.001 0.000 0.229 267 R C 1.770 178.065 176.300 -0.009 0.000 1.110 267 R CA 1.127 57.217 56.100 -0.017 0.000 0.988 267 R CB -0.177 30.112 30.300 -0.018 0.000 0.871 267 R HN 0.388 nan 8.270 nan 0.000 0.458 268 A N -1.214 121.599 122.820 -0.012 0.000 2.303 268 A HA 0.100 4.420 4.320 0.001 0.000 0.217 268 A C 1.671 179.231 177.584 -0.040 0.000 1.205 268 A CA 0.217 52.247 52.037 -0.012 0.000 0.875 268 A CB 0.103 19.111 19.000 0.014 0.000 0.910 268 A HN 0.235 nan 8.150 nan 0.000 0.501 269 T N 1.857 116.385 114.554 -0.044 0.000 2.597 269 T HA -0.132 4.219 4.350 0.001 0.000 0.267 269 T C -0.235 174.423 174.700 -0.070 0.000 1.053 269 T CA 2.319 64.385 62.100 -0.056 0.000 1.165 269 T CB -1.144 67.694 68.868 -0.049 0.000 0.863 269 T HN 0.360 nan 8.240 nan 0.000 0.427 270 P HA -0.033 nan 4.420 nan 0.000 0.216 270 P C 1.528 178.755 177.300 -0.121 0.000 1.153 270 P CA 0.991 64.040 63.100 -0.085 0.000 0.858 270 P CB -0.168 31.482 31.700 -0.083 0.000 0.789 271 L N -1.885 119.253 121.223 -0.141 0.000 2.109 271 L HA -0.106 4.235 4.340 0.001 0.000 0.207 271 L C 2.431 179.212 176.870 -0.148 0.000 1.086 271 L CA 0.944 55.682 54.840 -0.169 0.000 0.760 271 L CB -0.741 41.225 42.059 -0.154 0.000 0.910 271 L HN -0.031 nan 8.230 nan 0.000 0.437 272 L N -0.394 120.758 121.223 -0.118 0.000 2.042 272 L HA -0.260 4.080 4.340 0.001 0.000 0.210 272 L C 2.256 179.044 176.870 -0.137 0.000 1.076 272 L CA 1.244 56.006 54.840 -0.131 0.000 0.749 272 L CB -0.589 41.404 42.059 -0.110 0.000 0.893 272 L HN 0.313 nan 8.230 nan 0.000 0.432 273 D N -0.075 120.258 120.400 -0.112 0.000 2.117 273 D HA -0.199 4.441 4.640 0.001 0.000 0.197 273 D C 2.244 178.490 176.300 -0.090 0.000 0.987 273 D CA 1.048 54.991 54.000 -0.094 0.000 0.829 273 D CB -0.162 40.595 40.800 -0.073 0.000 0.961 273 D HN 0.245 nan 8.370 nan 0.000 0.460 274 L N 0.589 121.749 121.223 -0.104 0.000 2.046 274 L HA -0.143 4.197 4.340 0.001 0.000 0.208 274 L C 2.356 179.154 176.870 -0.119 0.000 1.077 274 L CA 0.922 55.699 54.840 -0.105 0.000 0.747 274 L CB -0.146 41.831 42.059 -0.138 0.000 0.896 274 L HN 0.009 nan 8.230 nan 0.000 0.432 275 I N -0.139 120.331 120.570 -0.166 0.000 2.142 275 I HA -0.363 3.807 4.170 0.001 0.000 0.240 275 I C 2.619 178.673 176.117 -0.105 0.000 1.078 275 I CA 1.474 62.642 61.300 -0.219 0.000 1.343 275 I CB -0.361 37.376 38.000 -0.438 0.000 1.046 275 I HN 0.261 nan 8.210 nan 0.000 0.405 276 K N 0.412 120.784 120.400 -0.046 0.000 2.009 276 K HA -0.237 4.084 4.320 0.001 0.000 0.210 276 K C 2.256 178.858 176.600 0.003 0.000 1.049 276 K CA 2.160 58.477 56.287 0.050 0.000 0.929 276 K CB -0.264 32.215 32.500 -0.035 0.000 0.714 276 K HN 0.147 nan 8.250 nan 0.000 0.440 277 T N -0.365 114.168 114.554 -0.035 0.000 2.788 277 T HA -0.086 4.265 4.350 0.001 0.000 0.268 277 T C 1.653 176.343 174.700 -0.015 0.000 1.044 277 T CA 1.387 63.469 62.100 -0.031 0.000 1.139 277 T CB -0.252 68.602 68.868 -0.023 0.000 0.867 277 T HN 0.426 nan 8.240 nan 0.000 0.454 278 A N 0.427 123.229 122.820 -0.029 0.000 1.968 278 A HA 0.204 4.525 4.320 0.001 0.000 0.217 278 A C 2.209 179.781 177.584 -0.021 0.000 1.169 278 A CA 0.930 52.951 52.037 -0.027 0.000 0.638 278 A CB -0.472 18.498 19.000 -0.051 0.000 0.812 278 A HN 0.577 nan 8.150 nan 0.000 0.446 279 L N -0.519 120.691 121.223 -0.021 0.000 2.375 279 L HA 0.029 4.369 4.340 0.001 0.000 0.215 279 L C 0.351 177.218 176.870 -0.006 0.000 1.108 279 L CA 0.233 55.061 54.840 -0.020 0.000 0.830 279 L CB -0.259 41.776 42.059 -0.039 0.000 0.959 279 L HN 0.136 nan 8.230 nan 0.000 0.457 280 T N 1.890 116.442 114.554 -0.003 0.000 2.794 280 T HA 0.206 4.557 4.350 0.001 0.000 0.296 280 T C -2.265 172.426 174.700 -0.016 0.000 0.949 280 T CA -1.054 61.033 62.100 -0.022 0.000 1.101 280 T CB 0.954 69.784 68.868 -0.062 0.000 0.905 280 T HN -0.121 nan 8.240 nan 0.000 0.516 281 P HA 0.108 nan 4.420 nan 0.000 0.262 281 P C -0.296 177.066 177.300 0.102 0.000 1.182 281 P CA 0.475 63.594 63.100 0.033 0.000 0.761 281 P CB 0.333 32.045 31.700 0.019 0.000 0.795 282 H N 1.368 120.431 119.070 -0.012 0.000 2.950 282 H HA 0.282 4.838 4.556 0.001 0.000 0.307 282 H C -2.721 172.600 175.328 -0.011 0.000 1.403 282 H CA -1.909 54.132 56.048 -0.011 0.000 1.145 282 H CB 2.097 31.851 29.762 -0.012 0.000 1.844 282 H HN 0.273 nan 8.280 nan 0.000 0.515 283 P HA 0.211 nan 4.420 nan 0.000 0.285 283 P C -2.819 174.413 177.300 -0.113 0.000 1.259 283 P CA -1.673 61.355 63.100 -0.121 0.000 0.794 283 P CB 0.711 32.310 31.700 -0.168 0.000 0.940 284 P HA -0.048 nan 4.420 nan 0.000 0.245 284 P C -0.172 177.097 177.300 -0.052 0.000 1.123 284 P CA 1.193 64.270 63.100 -0.039 0.000 0.853 284 P CB -0.071 31.613 31.700 -0.027 0.000 0.786 285 Q N 1.777 121.552 119.800 -0.043 0.000 3.323 285 Q HA 0.561 4.902 4.340 0.001 0.000 0.329 285 Q C -0.381 175.613 176.000 -0.010 0.000 0.939 285 Q CA -0.987 54.793 55.803 -0.038 0.000 0.828 285 Q CB 1.089 29.791 28.738 -0.060 0.000 1.564 285 Q HN 0.043 nan 8.270 nan 0.000 0.463 286 K N -0.240 120.160 120.400 0.001 0.000 2.312 286 K HA 0.408 4.728 4.320 0.001 0.000 0.236 286 K C -0.207 176.410 176.600 0.027 0.000 1.079 286 K CA -0.520 55.775 56.287 0.014 0.000 0.900 286 K CB 0.983 33.490 32.500 0.013 0.000 1.297 286 K HN 0.305 nan 8.250 nan 0.000 0.498 287 Q N -1.061 118.764 119.800 0.041 0.000 1.687 287 Q HA 0.341 4.681 4.340 0.001 0.000 0.173 287 Q C -1.298 174.751 176.000 0.082 0.000 0.704 287 Q CA 0.606 56.438 55.803 0.047 0.000 0.762 287 Q CB 1.359 30.119 28.738 0.037 0.000 1.202 287 Q HN 0.640 nan 8.270 nan 0.000 0.384 288 A N -1.109 121.776 122.820 0.108 0.000 2.523 288 A HA 0.278 4.598 4.320 0.001 0.000 0.314 288 A C -1.061 176.683 177.584 0.268 0.000 0.871 288 A CA 0.008 52.114 52.037 0.115 0.000 0.539 288 A CB -1.131 17.923 19.000 0.090 0.000 1.502 288 A HN 0.248 nan 8.150 nan 0.000 0.492 289 Y N -1.699 118.604 120.300 0.004 0.000 4.916 289 Y HA -0.116 4.435 4.550 0.001 0.000 0.247 289 Y C 2.113 178.019 175.900 0.010 0.000 0.962 289 Y CA 2.435 60.549 58.100 0.023 0.000 1.933 289 Y CB -1.623 36.847 38.460 0.016 0.000 1.451 289 Y HN 2.790 nan 8.280 nan 0.000 0.539 290 G N -0.708 108.149 108.800 0.095 0.000 2.176 290 G HA2 -0.095 3.866 3.960 0.001 0.000 0.252 290 G HA3 -0.095 3.866 3.960 0.001 0.000 0.252 290 G C -0.326 174.564 174.900 -0.017 0.000 1.024 290 G CA 0.028 45.165 45.100 0.062 0.000 0.755 290 G HN 0.733 nan 8.290 nan 0.000 0.507 291 V N -0.131 119.743 119.914 -0.067 0.000 2.555 291 V HA 0.746 4.866 4.120 0.001 0.000 0.302 291 V C 0.624 176.681 176.094 -0.062 0.000 1.038 291 V CA -0.092 62.114 62.300 -0.156 0.000 0.887 291 V CB 1.964 33.622 31.823 -0.275 0.000 0.991 291 V HN 0.399 nan 8.190 nan 0.000 0.434 292 T N 6.129 120.653 114.554 -0.049 0.000 2.749 292 T HA 0.650 5.000 4.350 0.001 0.000 0.295 292 T C -0.727 173.960 174.700 -0.021 0.000 0.936 292 T CA -0.080 62.005 62.100 -0.025 0.000 1.060 292 T CB -0.256 68.603 68.868 -0.016 0.000 0.904 292 T HN 0.443 nan 8.240 nan 0.000 0.500 293 L N 6.960 128.177 121.223 -0.010 0.000 2.381 293 L HA 0.520 4.861 4.340 0.001 0.000 0.268 293 L C -2.330 174.553 176.870 0.021 0.000 0.997 293 L CA -2.647 52.193 54.840 0.001 0.000 0.818 293 L CB 2.539 44.599 42.059 0.001 0.000 1.310 293 L HN 0.444 nan 8.230 nan 0.000 0.416 294 P HA 0.383 nan 4.420 nan 0.000 0.275 294 P C -0.602 176.700 177.300 0.004 0.000 1.266 294 P CA -0.069 63.043 63.100 0.020 0.000 0.793 294 P CB 1.029 32.750 31.700 0.036 0.000 1.074 295 T N -1.832 112.720 114.554 -0.003 0.000 2.478 295 T HA 0.266 4.617 4.350 0.001 0.000 0.192 295 T C 0.677 175.370 174.700 -0.012 0.000 0.724 295 T CA -0.133 61.964 62.100 -0.006 0.000 1.389 295 T CB -0.062 68.804 68.868 -0.003 0.000 1.952 295 T HN 0.158 nan 8.240 nan 0.000 0.437 296 S N -0.727 114.966 115.700 -0.011 0.000 2.930 296 S HA 0.482 4.953 4.470 0.001 0.000 0.253 296 S C -0.331 174.260 174.600 -0.016 0.000 1.083 296 S CA -0.120 58.065 58.200 -0.025 0.000 0.836 296 S CB 0.833 64.017 63.200 -0.027 0.000 0.814 296 S HN 0.400 nan 8.310 nan 0.000 0.467 297 V N 2.518 122.440 119.914 0.014 0.000 2.623 297 V HA 0.536 4.656 4.120 0.001 0.000 0.304 297 V C -1.229 174.910 176.094 0.074 0.000 1.054 297 V CA -0.512 61.819 62.300 0.051 0.000 0.882 297 V CB 2.070 33.944 31.823 0.085 0.000 1.002 297 V HN 0.323 nan 8.190 nan 0.000 0.424 298 L N 5.037 126.304 121.223 0.072 0.000 2.349 298 L HA 0.653 4.993 4.340 0.001 0.000 0.278 298 L C -1.734 175.193 176.870 0.094 0.000 0.996 298 L CA -0.530 54.346 54.840 0.061 0.000 0.825 298 L CB 1.764 43.819 42.059 -0.007 0.000 1.243 298 L HN 0.718 nan 8.230 nan 0.000 0.412 299 F N 6.114 126.034 119.950 -0.049 0.000 2.467 299 F HA 0.596 5.124 4.527 0.001 0.000 0.336 299 F C -0.755 174.981 175.800 -0.106 0.000 1.123 299 F CA -0.532 57.383 58.000 -0.142 0.000 0.964 299 F CB 1.261 40.109 39.000 -0.253 0.000 1.136 299 F HN 0.232 nan 8.300 nan 0.000 0.447 300 I N 6.192 126.403 120.570 -0.600 0.000 2.382 300 I HA 0.446 4.616 4.170 0.001 0.000 0.286 300 I C -0.417 175.436 176.117 -0.441 0.000 1.002 300 I CA -0.926 60.175 61.300 -0.330 0.000 1.135 300 I CB 1.756 39.631 38.000 -0.209 0.000 1.288 300 I HN 0.742 nan 8.210 nan 0.000 0.448 301 A N 5.342 128.073 122.820 -0.148 0.000 2.316 301 A HA 0.752 5.072 4.320 0.001 0.000 0.311 301 A C 0.371 177.886 177.584 -0.115 0.000 1.339 301 A CA -0.066 51.899 52.037 -0.120 0.000 0.960 301 A CB 0.055 19.080 19.000 0.041 0.000 1.152 301 A HN 0.890 nan 8.150 nan 0.000 0.547 302 G N 1.133 109.863 108.800 -0.117 0.000 3.252 302 G HA2 0.638 4.599 3.960 0.001 0.000 0.181 302 G HA3 0.638 4.599 3.960 0.001 0.000 0.181 302 G C -0.419 174.250 174.900 -0.384 0.000 1.187 302 G CA -0.442 44.576 45.100 -0.137 0.000 0.886 302 G HN 0.754 nan 8.290 nan 0.000 0.615 303 H N -0.683 118.455 119.070 0.113 0.000 2.864 303 H HA 0.243 4.800 4.556 0.001 0.000 0.354 303 H C 0.437 175.820 175.328 0.091 0.000 1.208 303 H CA 0.054 56.151 56.048 0.082 0.000 1.191 303 H CB 2.105 31.966 29.762 0.165 0.000 1.889 303 H HN 0.562 nan 8.280 nan 0.000 0.574 304 D N -0.342 120.203 120.400 0.242 0.000 2.144 304 D HA -0.194 4.446 4.640 0.001 0.000 0.199 304 D C 1.748 178.290 176.300 0.402 0.000 0.984 304 D CA 2.010 56.162 54.000 0.254 0.000 0.834 304 D CB -0.900 40.026 40.800 0.209 0.000 0.955 304 D HN 0.630 nan 8.370 nan 0.000 0.465 305 T N -1.270 113.545 114.554 0.434 0.000 2.720 305 T HA -0.256 4.095 4.350 0.001 0.000 0.268 305 T C 1.687 176.525 174.700 0.230 0.000 1.037 305 T CA 1.706 63.979 62.100 0.289 0.000 1.144 305 T CB -1.025 67.904 68.868 0.101 0.000 0.864 305 T HN 0.296 nan 8.240 nan 0.000 0.444 306 N N 1.445 120.296 118.700 0.252 0.000 2.120 306 N HA 0.072 4.812 4.740 0.001 0.000 0.188 306 N C 1.940 177.579 175.510 0.214 0.000 1.024 306 N CA 1.238 54.418 53.050 0.217 0.000 0.852 306 N CB -0.459 38.184 38.487 0.259 0.000 1.003 306 N HN 0.306 nan 8.380 nan 0.000 0.424 307 L N 0.637 122.004 121.223 0.240 0.000 2.017 307 L HA -0.132 4.208 4.340 0.001 0.000 0.208 307 L C 2.573 179.657 176.870 0.356 0.000 1.073 307 L CA 1.077 56.092 54.840 0.291 0.000 0.745 307 L CB -0.623 41.605 42.059 0.281 0.000 0.894 307 L HN 0.243 nan 8.230 nan 0.000 0.432 308 A N 0.365 123.363 122.820 0.297 0.000 1.930 308 A HA -0.207 4.113 4.320 0.001 0.000 0.217 308 A C 2.000 179.666 177.584 0.137 0.000 1.175 308 A CA 1.981 54.142 52.037 0.208 0.000 0.627 308 A CB -0.802 18.372 19.000 0.290 0.000 0.815 308 A HN 0.530 nan 8.150 nan 0.000 0.443 309 N N -0.108 118.673 118.700 0.134 0.000 2.120 309 N HA -0.091 4.650 4.740 0.001 0.000 0.188 309 N C 1.613 177.184 175.510 0.102 0.000 1.024 309 N CA 1.333 54.431 53.050 0.080 0.000 0.852 309 N CB -0.289 38.237 38.487 0.065 0.000 1.003 309 N HN 0.418 nan 8.380 nan 0.000 0.424 310 L N 0.418 121.739 121.223 0.163 0.000 2.093 310 L HA -0.064 4.276 4.340 0.001 0.000 0.208 310 L C 2.619 179.634 176.870 0.242 0.000 1.085 310 L CA 1.055 56.019 54.840 0.207 0.000 0.755 310 L CB -0.772 41.457 42.059 0.284 0.000 0.904 310 L HN 0.281 nan 8.230 nan 0.000 0.435 311 G N -0.223 108.740 108.800 0.273 0.000 2.421 311 G HA2 -0.202 3.759 3.960 0.001 0.000 0.216 311 G HA3 -0.202 3.759 3.960 0.001 0.000 0.216 311 G C 1.594 176.554 174.900 0.099 0.000 1.171 311 G CA 0.747 45.992 45.100 0.240 0.000 0.775 311 G HN 0.473 nan 8.290 nan 0.000 0.543 312 G N 1.046 109.871 108.800 0.042 0.000 2.418 312 G HA2 0.037 3.998 3.960 0.001 0.000 0.217 312 G HA3 0.037 3.998 3.960 0.001 0.000 0.217 312 G C 2.047 176.959 174.900 0.021 0.000 1.158 312 G CA 1.588 46.689 45.100 0.003 0.000 0.771 312 G HN 0.670 nan 8.290 nan 0.000 0.545 313 A N -0.035 122.809 122.820 0.041 0.000 1.930 313 A HA 0.189 4.510 4.320 0.001 0.000 0.217 313 A C 2.075 179.688 177.584 0.047 0.000 1.175 313 A CA 1.067 53.122 52.037 0.030 0.000 0.627 313 A CB -0.178 18.837 19.000 0.025 0.000 0.815 313 A HN 0.295 nan 8.150 nan 0.000 0.443 314 L N -0.467 120.818 121.223 0.102 0.000 2.592 314 L HA 0.171 4.512 4.340 0.001 0.000 0.227 314 L C 0.246 177.192 176.870 0.125 0.000 1.127 314 L CA 0.630 55.549 54.840 0.132 0.000 0.884 314 L CB -1.175 41.033 42.059 0.247 0.000 1.065 314 L HN 0.523 nan 8.230 nan 0.000 0.457 315 E N 0.247 120.505 120.200 0.096 0.000 2.287 315 E HA -0.221 4.129 4.350 0.001 0.000 0.229 315 E C -0.456 176.212 176.600 0.112 0.000 1.194 315 E CA 0.140 56.588 56.400 0.079 0.000 0.704 315 E CB -1.642 28.096 29.700 0.063 0.000 1.216 315 E HN 0.307 nan 8.360 nan 0.000 0.381 316 L N 1.148 122.462 121.223 0.151 0.000 2.313 316 L HA 0.463 4.803 4.340 0.001 0.000 0.283 316 L C 0.420 177.379 176.870 0.149 0.000 1.013 316 L CA -0.606 54.373 54.840 0.232 0.000 0.816 316 L CB 1.192 43.481 42.059 0.384 0.000 1.236 316 L HN 0.078 nan 8.230 nan 0.000 0.419 317 N N 3.037 121.819 118.700 0.137 0.000 2.269 317 N HA 0.612 5.352 4.740 0.001 0.000 0.304 317 N C -1.523 174.077 175.510 0.149 0.000 1.072 317 N CA -0.420 52.605 53.050 -0.042 0.000 0.802 317 N CB 2.925 41.389 38.487 -0.038 0.000 1.348 317 N HN 0.559 nan 8.380 nan 0.000 0.484 318 W N -0.184 121.113 121.300 -0.006 0.000 3.059 318 W HA 0.535 5.196 4.660 0.002 0.000 0.329 318 W C -1.555 174.926 176.519 -0.062 0.000 1.246 318 W CA -0.774 56.551 57.345 -0.033 0.000 1.190 318 W CB 0.762 30.194 29.460 -0.046 0.000 1.423 318 W HN 0.279 nan 8.180 nan 0.000 0.571 319 T N 2.087 116.783 114.554 0.238 0.000 2.916 319 T HA 0.628 4.978 4.350 0.001 0.000 0.298 319 T C -1.543 173.191 174.700 0.057 0.000 1.031 319 T CA -0.696 61.463 62.100 0.098 0.000 0.993 319 T CB 0.602 69.483 68.868 0.022 0.000 1.045 319 T HN 0.611 nan 8.240 nan 0.000 0.454 320 L N 6.854 128.017 121.223 -0.099 0.000 2.264 320 L HA 0.442 4.783 4.340 0.001 0.000 0.287 320 L C -2.011 174.796 176.870 -0.106 0.000 1.039 320 L CA -2.189 52.420 54.840 -0.385 0.000 0.829 320 L CB 1.168 42.489 42.059 -1.231 0.000 1.211 320 L HN 0.460 nan 8.230 nan 0.000 0.427 321 P HA 0.014 nan 4.420 nan 0.000 0.262 321 P C 0.883 178.304 177.300 0.201 0.000 1.199 321 P CA 0.760 63.945 63.100 0.141 0.000 0.763 321 P CB 1.099 32.884 31.700 0.141 0.000 0.790 322 G N 2.057 110.926 108.800 0.114 0.000 2.157 322 G HA2 -0.216 3.745 3.960 0.001 0.000 0.239 322 G HA3 -0.216 3.745 3.960 0.001 0.000 0.239 322 G C 0.002 174.956 174.900 0.090 0.000 0.982 322 G CA 0.088 45.248 45.100 0.101 0.000 0.650 322 G HN 0.721 nan 8.290 nan 0.000 0.527 323 Q N 0.187 120.022 119.800 0.058 0.000 2.444 323 Q HA 0.535 4.875 4.340 0.001 0.000 0.251 323 Q C -1.383 174.577 176.000 -0.067 0.000 0.939 323 Q CA -1.617 54.178 55.803 -0.014 0.000 0.740 323 Q CB 2.127 30.850 28.738 -0.026 0.000 1.308 323 Q HN 0.159 nan 8.270 nan 0.000 0.461 324 P HA -0.092 nan 4.420 nan 0.000 0.222 324 P C -0.178 177.114 177.300 -0.013 0.000 1.147 324 P CA 0.678 63.778 63.100 0.000 0.000 0.790 324 P CB 0.420 32.167 31.700 0.080 0.000 0.780 325 D N 0.216 120.589 120.400 -0.045 0.000 2.280 325 D HA 0.051 4.691 4.640 0.001 0.000 0.243 325 D C 0.969 177.239 176.300 -0.050 0.000 1.129 325 D CA -0.362 53.609 54.000 -0.048 0.000 0.848 325 D CB 0.306 41.048 40.800 -0.097 0.000 1.107 325 D HN -0.219 nan 8.370 nan 0.000 0.471 326 N N 1.729 120.417 118.700 -0.019 0.000 2.381 326 N HA -0.087 4.654 4.740 0.001 0.000 0.182 326 N C 0.381 176.027 175.510 0.226 0.000 1.025 326 N CA 0.829 53.926 53.050 0.078 0.000 0.888 326 N CB 0.129 38.587 38.487 -0.049 0.000 0.965 326 N HN 0.513 nan 8.380 nan 0.000 0.438 327 T N -0.999 113.591 114.554 0.059 0.000 3.504 327 T HA 0.283 4.634 4.350 0.001 0.000 0.286 327 T C -2.880 171.808 174.700 -0.020 0.000 1.530 327 T CA -1.709 60.432 62.100 0.069 0.000 1.652 327 T CB 1.849 70.741 68.868 0.039 0.000 0.895 327 T HN -0.060 nan 8.240 nan 0.000 0.674 328 P HA 0.297 nan 4.420 nan 0.000 0.274 328 P C -2.643 174.640 177.300 -0.029 0.000 1.237 328 P CA -1.589 61.492 63.100 -0.032 0.000 0.793 328 P CB 0.071 31.766 31.700 -0.008 0.000 0.977 329 P HA -0.038 nan 4.420 nan 0.000 0.264 329 P C 1.038 178.349 177.300 0.019 0.000 1.193 329 P CA 1.237 64.321 63.100 -0.028 0.000 0.763 329 P CB -0.255 31.470 31.700 0.042 0.000 0.810 330 G N 2.191 110.996 108.800 0.008 0.000 2.205 330 G HA2 -0.215 3.746 3.960 0.001 0.000 0.261 330 G HA3 -0.215 3.746 3.960 0.001 0.000 0.261 330 G C 0.619 175.561 174.900 0.071 0.000 0.980 330 G CA -0.012 45.132 45.100 0.073 0.000 0.632 330 G HN 0.899 nan 8.290 nan 0.000 0.533 331 G N 0.276 109.099 108.800 0.039 0.000 2.321 331 G HA2 0.426 4.387 3.960 0.001 0.000 0.237 331 G HA3 0.426 4.387 3.960 0.001 0.000 0.237 331 G C -0.097 174.798 174.900 -0.009 0.000 1.282 331 G CA 0.406 45.531 45.100 0.042 0.000 0.886 331 G HN 0.576 nan 8.290 nan 0.000 0.528 332 E N 1.469 121.659 120.200 -0.017 0.000 2.199 332 E HA 0.246 4.596 4.350 0.001 0.000 0.265 332 E C -0.629 175.884 176.600 -0.145 0.000 0.882 332 E CA -0.679 55.681 56.400 -0.066 0.000 0.759 332 E CB 2.471 32.173 29.700 0.004 0.000 1.148 332 E HN 0.290 nan 8.360 nan 0.000 0.412 333 L N 4.233 125.358 121.223 -0.164 0.000 2.268 333 L HA 0.282 4.623 4.340 0.001 0.000 0.289 333 L C -0.926 175.798 176.870 -0.243 0.000 1.064 333 L CA -0.678 53.998 54.840 -0.272 0.000 0.824 333 L CB 0.748 42.719 42.059 -0.146 0.000 1.202 333 L HN 0.345 nan 8.230 nan 0.000 0.433 334 V N 5.451 125.184 119.914 -0.300 0.000 2.383 334 V HA 0.311 4.431 4.120 0.001 0.000 0.275 334 V C -0.251 175.672 176.094 -0.284 0.000 1.036 334 V CA -0.327 61.873 62.300 -0.167 0.000 0.889 334 V CB 1.097 32.888 31.823 -0.054 0.000 0.985 334 V HN 0.395 nan 8.190 nan 0.000 0.459 335 F N 3.081 123.009 119.950 -0.038 0.000 2.427 335 F HA 0.600 5.127 4.527 0.000 0.000 0.346 335 F C 0.566 176.328 175.800 -0.062 0.000 1.120 335 F CA -0.430 57.528 58.000 -0.069 0.000 1.033 335 F CB 1.535 40.475 39.000 -0.099 0.000 1.126 335 F HN 0.472 nan 8.300 nan 0.000 0.462 336 E N 2.371 122.644 120.200 0.123 0.000 2.317 336 E HA 0.465 4.815 4.350 0.001 0.000 0.270 336 E C -0.947 175.697 176.600 0.072 0.000 0.885 336 E CA -1.242 55.190 56.400 0.053 0.000 0.760 336 E CB 2.789 32.559 29.700 0.116 0.000 1.227 336 E HN 0.369 nan 8.360 nan 0.000 0.434 337 R N 2.454 122.920 120.500 -0.056 0.000 2.393 337 R HA 0.329 4.670 4.340 0.001 0.000 0.315 337 R C -1.644 174.648 176.300 -0.014 0.000 0.952 337 R CA -0.572 55.547 56.100 0.032 0.000 0.842 337 R CB 0.755 31.046 30.300 -0.015 0.000 1.163 337 R HN 0.506 nan 8.270 nan 0.000 0.450 338 W N 3.075 124.430 121.300 0.091 0.000 2.606 338 W HA 0.482 5.142 4.660 0.001 0.000 0.332 338 W C 0.383 177.005 176.519 0.171 0.000 1.052 338 W CA -0.643 56.766 57.345 0.107 0.000 1.223 338 W CB 1.102 30.621 29.460 0.097 0.000 1.383 338 W HN 0.132 nan 8.180 nan 0.000 0.524 339 R N 2.716 123.429 120.500 0.355 0.000 2.393 339 R HA 0.403 4.744 4.340 0.001 0.000 0.310 339 R C -0.395 176.078 176.300 0.289 0.000 0.968 339 R CA -1.114 55.159 56.100 0.288 0.000 0.867 339 R CB 1.288 31.684 30.300 0.160 0.000 1.124 339 R HN 0.637 nan 8.270 nan 0.000 0.450 340 R N 5.039 125.733 120.500 0.323 0.000 2.242 340 R HA 0.106 4.447 4.340 0.001 0.000 0.334 340 R C 1.190 177.580 176.300 0.151 0.000 1.071 340 R CA -0.105 56.121 56.100 0.210 0.000 0.922 340 R CB 0.380 30.818 30.300 0.231 0.000 1.023 340 R HN 0.712 nan 8.270 nan 0.000 0.458 341 L N 2.581 123.869 121.223 0.108 0.000 2.081 341 L HA -0.289 4.051 4.340 0.001 0.000 0.212 341 L C 2.410 179.321 176.870 0.068 0.000 1.080 341 L CA 1.822 56.710 54.840 0.081 0.000 0.754 341 L CB -0.651 41.446 42.059 0.063 0.000 0.893 341 L HN 0.748 nan 8.230 nan 0.000 0.433 342 S N 0.467 116.203 115.700 0.061 0.000 2.365 342 S HA -0.220 4.251 4.470 0.001 0.000 0.225 342 S C 1.289 175.927 174.600 0.063 0.000 1.039 342 S CA 1.653 59.883 58.200 0.051 0.000 1.033 342 S CB -0.411 62.811 63.200 0.038 0.000 0.887 342 S HN 0.700 nan 8.310 nan 0.000 0.447 343 D N -1.040 119.415 120.400 0.091 0.000 2.539 343 D HA 0.202 4.842 4.640 0.001 0.000 0.232 343 D C -0.115 176.243 176.300 0.098 0.000 1.256 343 D CA -0.310 53.745 54.000 0.091 0.000 0.810 343 D CB -1.135 39.728 40.800 0.105 0.000 1.090 343 D HN 0.259 nan 8.370 nan 0.000 0.519 344 N N 0.034 118.800 118.700 0.110 0.000 2.747 344 N HA -0.177 4.563 4.740 0.001 0.000 0.249 344 N C -0.782 174.792 175.510 0.107 0.000 1.107 344 N CA 1.073 54.184 53.050 0.102 0.000 0.707 344 N CB -1.654 36.872 38.487 0.064 0.000 1.054 344 N HN 0.538 nan 8.380 nan 0.000 0.555 345 S N -1.043 114.763 115.700 0.177 0.000 2.601 345 S HA 0.489 4.959 4.470 0.001 0.000 0.271 345 S C 0.070 174.711 174.600 0.067 0.000 1.305 345 S CA -0.799 57.468 58.200 0.111 0.000 1.022 345 S CB 1.958 65.309 63.200 0.253 0.000 0.940 345 S HN 0.090 nan 8.310 nan 0.000 0.525 346 Q N 1.049 120.709 119.800 -0.233 0.000 2.241 346 Q HA 0.449 4.790 4.340 0.001 0.000 0.254 346 Q C -1.457 174.213 176.000 -0.551 0.000 0.917 346 Q CA 0.041 55.731 55.803 -0.188 0.000 0.919 346 Q CB 1.276 29.941 28.738 -0.121 0.000 1.237 346 Q HN 0.852 nan 8.270 nan 0.000 0.434 347 W N 1.763 123.124 121.300 0.101 0.000 3.032 347 W HA 0.548 5.208 4.660 0.000 0.000 0.335 347 W C -0.794 175.792 176.519 0.113 0.000 1.154 347 W CA -0.505 56.898 57.345 0.095 0.000 1.204 347 W CB 1.040 30.547 29.460 0.078 0.000 1.416 347 W HN 0.327 nan 8.180 nan 0.000 0.521 348 I N 1.887 122.610 120.570 0.255 0.000 2.433 348 I HA 0.338 4.508 4.170 0.001 0.000 0.292 348 I C -0.262 175.933 176.117 0.130 0.000 1.001 348 I CA -1.019 60.338 61.300 0.095 0.000 1.119 348 I CB 1.856 39.692 38.000 -0.273 0.000 1.289 348 I HN 0.392 nan 8.210 nan 0.000 0.438 349 Q N 5.068 124.963 119.800 0.157 0.000 2.365 349 Q HA 0.825 5.165 4.340 0.001 0.000 0.269 349 Q C -1.955 174.056 176.000 0.019 0.000 1.061 349 Q CA -0.694 55.172 55.803 0.104 0.000 0.816 349 Q CB 2.236 31.063 28.738 0.147 0.000 1.325 349 Q HN 0.503 nan 8.270 nan 0.000 0.446 350 V N 2.412 122.292 119.914 -0.057 0.000 2.540 350 V HA 0.661 4.781 4.120 0.001 0.000 0.302 350 V C -0.672 175.309 176.094 -0.188 0.000 1.035 350 V CA -0.537 61.623 62.300 -0.232 0.000 0.873 350 V CB 1.752 33.410 31.823 -0.275 0.000 0.992 350 V HN 0.885 nan 8.190 nan 0.000 0.428 351 S N 4.265 119.814 115.700 -0.251 0.000 2.697 351 S HA 0.744 5.214 4.470 0.001 0.000 0.289 351 S C -1.475 172.944 174.600 -0.301 0.000 1.149 351 S CA -0.676 57.409 58.200 -0.191 0.000 0.850 351 S CB 2.145 65.297 63.200 -0.081 0.000 1.151 351 S HN 0.540 nan 8.310 nan 0.000 0.491 352 L N 2.690 123.748 121.223 -0.274 0.000 2.406 352 L HA 0.607 4.948 4.340 0.001 0.000 0.270 352 L C -1.460 175.378 176.870 -0.054 0.000 0.982 352 L CA -0.498 54.124 54.840 -0.363 0.000 0.843 352 L CB 1.036 42.618 42.059 -0.795 0.000 1.225 352 L HN 0.535 nan 8.230 nan 0.000 0.412 353 V N 6.495 126.405 119.914 -0.007 0.000 2.532 353 V HA 0.641 4.761 4.120 0.001 0.000 0.295 353 V C -0.219 175.966 176.094 0.151 0.000 1.041 353 V CA -0.406 61.918 62.300 0.041 0.000 0.926 353 V CB 1.521 33.357 31.823 0.021 0.000 0.992 353 V HN 0.680 nan 8.190 nan 0.000 0.457 354 F N 1.307 121.201 119.950 -0.094 0.000 2.741 354 F HA 0.654 5.182 4.527 0.001 0.000 0.311 354 F C -1.008 174.754 175.800 -0.064 0.000 1.149 354 F CA -1.239 56.721 58.000 -0.068 0.000 0.930 354 F CB 1.626 40.580 39.000 -0.076 0.000 1.312 354 F HN 0.347 nan 8.300 nan 0.000 0.450 355 Q N 1.823 121.621 119.800 -0.004 0.000 2.257 355 Q HA 0.457 4.798 4.340 0.001 0.000 0.255 355 Q C -0.118 175.939 176.000 0.096 0.000 0.920 355 Q CA -0.880 54.881 55.803 -0.070 0.000 0.927 355 Q CB 1.934 30.685 28.738 0.021 0.000 1.229 355 Q HN 0.814 nan 8.270 nan 0.000 0.433 356 T N -0.819 113.739 114.554 0.006 0.000 2.795 356 T HA -0.001 4.349 4.350 0.001 0.000 0.314 356 T C 0.992 175.718 174.700 0.043 0.000 1.069 356 T CA -0.636 61.536 62.100 0.121 0.000 1.071 356 T CB 0.485 69.378 68.868 0.041 0.000 0.988 356 T HN 0.521 nan 8.240 nan 0.000 0.543 357 L N 0.613 121.831 121.223 -0.008 0.000 2.187 357 L HA -0.010 4.330 4.340 0.001 0.000 0.213 357 L C 2.602 179.406 176.870 -0.110 0.000 1.100 357 L CA 1.760 56.533 54.840 -0.112 0.000 0.765 357 L CB -1.282 40.615 42.059 -0.271 0.000 0.904 357 L HN 0.873 nan 8.230 nan 0.000 0.437 358 Q N -0.730 119.025 119.800 -0.076 0.000 2.137 358 Q HA -0.144 4.196 4.340 0.001 0.000 0.198 358 Q C 2.196 178.179 176.000 -0.028 0.000 0.960 358 Q CA 1.493 57.263 55.803 -0.055 0.000 0.847 358 Q CB -0.103 28.611 28.738 -0.039 0.000 0.915 358 Q HN 0.628 nan 8.270 nan 0.000 0.448 359 Q N -0.947 118.840 119.800 -0.023 0.000 2.291 359 Q HA -0.098 4.242 4.340 0.001 0.000 0.205 359 Q C 1.883 177.902 176.000 0.031 0.000 0.970 359 Q CA 1.235 57.033 55.803 -0.009 0.000 0.876 359 Q CB -0.008 28.709 28.738 -0.035 0.000 0.935 359 Q HN 0.453 nan 8.270 nan 0.000 0.455 360 M N -0.549 119.064 119.600 0.021 0.000 2.171 360 M HA -0.075 4.405 4.480 0.001 0.000 0.260 360 M C 2.235 178.551 176.300 0.027 0.000 1.087 360 M CA 0.882 56.205 55.300 0.038 0.000 1.154 360 M CB -0.153 32.460 32.600 0.021 0.000 1.331 360 M HN 0.002 nan 8.290 nan 0.000 0.431 361 R N 1.124 121.619 120.500 -0.008 0.000 2.096 361 R HA -0.172 4.168 4.340 0.001 0.000 0.240 361 R C 0.959 177.265 176.300 0.010 0.000 1.139 361 R CA 1.813 57.907 56.100 -0.011 0.000 0.952 361 R CB -0.807 29.469 30.300 -0.040 0.000 0.854 361 R HN 0.385 nan 8.270 nan 0.000 0.436 362 D N 0.404 120.812 120.400 0.013 0.000 2.349 362 D HA -0.042 4.598 4.640 0.001 0.000 0.224 362 D C 0.423 176.755 176.300 0.053 0.000 1.029 362 D CA 0.093 54.106 54.000 0.022 0.000 0.879 362 D CB -0.122 40.683 40.800 0.008 0.000 0.906 362 D HN 0.166 nan 8.370 nan 0.000 0.528 363 K N 1.312 121.763 120.400 0.084 0.000 3.156 363 K HA -0.198 4.123 4.320 0.001 0.000 0.266 363 K C -0.335 176.408 176.600 0.239 0.000 0.966 363 K CA 0.598 56.995 56.287 0.184 0.000 0.719 363 K CB -1.530 31.062 32.500 0.152 0.000 1.333 363 K HN 0.279 nan 8.250 nan 0.000 0.468 364 T N 0.734 115.348 114.554 0.100 0.000 2.799 364 T HA 0.298 4.648 4.350 0.001 0.000 0.296 364 T C -1.894 172.644 174.700 -0.268 0.000 0.947 364 T CA -1.425 60.648 62.100 -0.045 0.000 1.141 364 T CB 1.004 69.837 68.868 -0.059 0.000 0.891 364 T HN 0.141 nan 8.240 nan 0.000 0.533 365 P HA 0.208 nan 4.420 nan 0.000 0.269 365 P C -0.479 176.518 177.300 -0.506 0.000 1.209 365 P CA -0.339 62.097 63.100 -1.107 0.000 0.776 365 P CB 0.701 31.957 31.700 -0.739 0.000 0.876 366 L N 1.996 122.997 121.223 -0.371 0.000 2.334 366 L HA 0.642 4.983 4.340 0.001 0.000 0.272 366 L C 0.853 177.798 176.870 0.125 0.000 1.020 366 L CA -0.323 54.472 54.840 -0.075 0.000 0.812 366 L CB 1.691 43.748 42.059 -0.004 0.000 1.264 366 L HN 0.610 nan 8.230 nan 0.000 0.439 367 S N 0.183 115.979 115.700 0.160 0.000 2.655 367 S HA 0.357 4.828 4.470 0.001 0.000 0.266 367 S C 0.304 175.053 174.600 0.249 0.000 1.149 367 S CA -0.966 57.368 58.200 0.222 0.000 0.818 367 S CB 0.767 64.043 63.200 0.126 0.000 1.130 367 S HN 0.485 nan 8.310 nan 0.000 0.476 368 L N 0.726 122.050 121.223 0.167 0.000 2.187 368 L HA -0.099 4.241 4.340 0.001 0.000 0.213 368 L C 2.004 178.928 176.870 0.089 0.000 1.100 368 L CA 1.472 56.403 54.840 0.152 0.000 0.765 368 L CB -0.884 41.202 42.059 0.045 0.000 0.904 368 L HN 0.642 nan 8.230 nan 0.000 0.437 369 N N -1.075 117.656 118.700 0.051 0.000 2.354 369 N HA -0.059 4.682 4.740 0.001 0.000 0.179 369 N C 0.255 175.764 175.510 -0.002 0.000 1.021 369 N CA 0.833 53.894 53.050 0.018 0.000 0.887 369 N CB 0.315 38.806 38.487 0.007 0.000 0.974 369 N HN 0.093 nan 8.380 nan 0.000 0.437 370 T N 2.248 116.798 114.554 -0.006 0.000 3.410 370 T HA 0.253 4.604 4.350 0.001 0.000 0.328 370 T C -2.794 171.848 174.700 -0.096 0.000 1.567 370 T CA -1.226 60.842 62.100 -0.053 0.000 1.626 370 T CB 1.774 70.602 68.868 -0.065 0.000 0.939 370 T HN 0.050 nan 8.240 nan 0.000 0.656 371 P HA 0.331 nan 4.420 nan 0.000 0.274 371 P C -2.659 174.374 177.300 -0.445 0.000 1.246 371 P CA -1.384 61.495 63.100 -0.368 0.000 0.795 371 P CB 0.374 31.925 31.700 -0.250 0.000 1.006 372 P HA 0.130 nan 4.420 nan 0.000 0.277 372 P C 0.415 177.357 177.300 -0.597 0.000 1.271 372 P CA -0.014 62.766 63.100 -0.533 0.000 0.795 372 P CB 0.247 31.644 31.700 -0.506 0.000 1.101 373 G N -0.106 108.179 108.800 -0.858 0.000 2.614 373 G HA2 0.256 4.217 3.960 0.001 0.000 0.239 373 G HA3 0.256 4.217 3.960 0.001 0.000 0.239 373 G C -0.652 173.738 174.900 -0.851 0.000 1.240 373 G CA -0.018 44.446 45.100 -1.059 0.000 0.842 373 G HN 0.675 nan 8.290 nan 0.000 0.584 374 E N -0.890 119.113 120.200 -0.328 0.000 2.354 374 E HA 0.442 4.792 4.350 0.001 0.000 0.283 374 E C -1.749 174.897 176.600 0.076 0.000 0.938 374 E CA -0.637 55.720 56.400 -0.071 0.000 0.777 374 E CB 2.315 31.960 29.700 -0.091 0.000 1.222 374 E HN 0.315 nan 8.360 nan 0.000 0.423 375 V N 4.257 124.226 119.914 0.092 0.000 2.482 375 V HA 0.332 4.452 4.120 0.001 0.000 0.295 375 V C -0.484 175.607 176.094 -0.004 0.000 1.026 375 V CA -0.929 61.407 62.300 0.060 0.000 0.856 375 V CB 1.757 33.627 31.823 0.079 0.000 1.001 375 V HN 0.589 nan 8.190 nan 0.000 0.424 376 K N 4.330 124.731 120.400 0.002 0.000 2.339 376 K HA 0.418 4.738 4.320 0.001 0.000 0.286 376 K C -0.877 175.724 176.600 0.002 0.000 1.050 376 K CA -0.522 55.756 56.287 -0.014 0.000 0.956 376 K CB 0.782 33.272 32.500 -0.017 0.000 0.990 376 K HN 0.267 nan 8.250 nan 0.000 0.475 377 L N 1.884 123.100 121.223 -0.013 0.000 2.360 377 L HA 0.320 4.660 4.340 0.001 0.000 0.271 377 L C 0.591 177.491 176.870 0.049 0.000 1.057 377 L CA -0.050 54.811 54.840 0.035 0.000 0.803 377 L CB 1.466 43.538 42.059 0.022 0.000 1.207 377 L HN 0.553 nan 8.230 nan 0.000 0.445 378 T N 2.961 117.565 114.554 0.083 0.000 2.809 378 T HA 0.531 4.882 4.350 0.001 0.000 0.284 378 T C -0.383 174.386 174.700 0.114 0.000 0.992 378 T CA -0.581 61.570 62.100 0.085 0.000 0.957 378 T CB 0.224 69.133 68.868 0.069 0.000 0.942 378 T HN 0.355 nan 8.240 nan 0.000 0.439 379 L N 5.287 126.591 121.223 0.135 0.000 2.456 379 L HA 0.292 4.632 4.340 0.001 0.000 0.277 379 L C 1.932 178.875 176.870 0.121 0.000 1.124 379 L CA -0.507 54.428 54.840 0.159 0.000 0.880 379 L CB 0.411 42.598 42.059 0.213 0.000 1.192 379 L HN 0.944 nan 8.230 nan 0.000 0.463 380 A N 3.629 126.512 122.820 0.104 0.000 1.917 380 A HA -0.147 4.173 4.320 0.001 0.000 0.219 380 A C 1.933 179.559 177.584 0.070 0.000 1.182 380 A CA 1.841 53.925 52.037 0.079 0.000 0.633 380 A CB -0.607 18.433 19.000 0.068 0.000 0.819 380 A HN 0.859 nan 8.150 nan 0.000 0.448 381 G N -1.940 106.902 108.800 0.072 0.000 3.314 381 G HA2 0.280 4.240 3.960 0.001 0.000 0.238 381 G HA3 0.280 4.240 3.960 0.001 0.000 0.238 381 G C 0.177 175.117 174.900 0.066 0.000 1.184 381 G CA 0.463 45.598 45.100 0.057 0.000 0.806 381 G HN 0.508 nan 8.290 nan 0.000 0.536 382 c N 0.435 119.088 118.600 0.088 0.000 2.307 382 c HA 0.600 5.171 4.570 0.001 0.000 0.340 382 c C 1.416 175.561 174.090 0.092 0.000 1.275 382 c CA -0.605 55.785 56.329 0.103 0.000 1.811 382 c CB 1.477 44.074 42.510 0.146 0.000 2.372 382 c HN 0.557 nan 8.230 nan 0.000 0.531 383 E N 2.492 122.742 120.200 0.083 0.000 2.065 383 E HA 0.029 4.380 4.350 0.001 0.000 0.191 383 E C 0.765 177.426 176.600 0.101 0.000 0.960 383 E CA 0.836 57.282 56.400 0.076 0.000 0.824 383 E CB -0.154 29.580 29.700 0.057 0.000 0.793 383 E HN 0.833 nan 8.360 nan 0.000 0.459 384 E N 1.562 121.832 120.200 0.117 0.000 1.881 384 E HA 0.053 4.403 4.350 0.001 0.000 0.264 384 E C -0.646 176.132 176.600 0.295 0.000 1.243 384 E CA -0.081 56.423 56.400 0.172 0.000 0.965 384 E CB 0.104 29.878 29.700 0.123 0.000 1.055 384 E HN 0.070 nan 8.360 nan 0.000 0.412 385 R N 2.674 123.334 120.500 0.268 0.000 2.787 385 R HA 0.348 4.688 4.340 0.001 0.000 0.271 385 R C 0.175 176.535 176.300 0.099 0.000 0.993 385 R CA -0.737 55.516 56.100 0.254 0.000 0.993 385 R CB 1.355 31.720 30.300 0.109 0.000 1.155 385 R HN 0.613 nan 8.270 nan 0.000 0.486 386 N N -0.591 117.968 118.700 -0.234 0.000 2.604 386 N HA 0.330 5.070 4.740 0.001 0.000 0.297 386 N C 0.717 176.008 175.510 -0.364 0.000 1.266 386 N CA -0.575 52.073 53.050 -0.671 0.000 0.961 386 N CB 1.084 38.635 38.487 -1.560 0.000 1.166 386 N HN 0.407 nan 8.380 nan 0.000 0.601 387 A N 0.070 122.671 122.820 -0.365 0.000 1.873 387 A HA -0.244 4.076 4.320 0.001 0.000 0.218 387 A C 2.000 179.456 177.584 -0.212 0.000 1.193 387 A CA 1.491 53.387 52.037 -0.235 0.000 0.629 387 A CB -0.897 17.973 19.000 -0.217 0.000 0.826 387 A HN 0.782 nan 8.150 nan 0.000 0.447 388 Q N -0.962 118.675 119.800 -0.271 0.000 2.541 388 Q HA 0.131 4.471 4.340 0.001 0.000 0.215 388 Q C 1.228 177.122 176.000 -0.176 0.000 0.977 388 Q CA 0.952 56.613 55.803 -0.236 0.000 0.934 388 Q CB -0.907 27.638 28.738 -0.322 0.000 0.988 388 Q HN 1.299 nan 8.270 nan 0.000 0.521 389 G N 0.684 109.393 108.800 -0.152 0.000 2.143 389 G HA2 -0.297 3.664 3.960 0.001 0.000 0.249 389 G HA3 -0.297 3.664 3.960 0.001 0.000 0.249 389 G C 0.144 175.032 174.900 -0.019 0.000 0.981 389 G CA 0.404 45.462 45.100 -0.070 0.000 0.665 389 G HN 0.294 nan 8.290 nan 0.000 0.528 390 M N -0.328 119.249 119.600 -0.039 0.000 2.228 390 M HA 0.423 4.903 4.480 0.001 0.000 0.326 390 M C 1.148 177.612 176.300 0.273 0.000 1.122 390 M CA -0.313 55.041 55.300 0.091 0.000 1.161 390 M CB 1.017 33.673 32.600 0.094 0.000 1.437 390 M HN 0.296 nan 8.290 nan 0.000 0.465 391 c N 1.557 120.341 118.600 0.305 0.000 2.370 391 c HA 0.551 5.121 4.570 0.001 0.000 0.354 391 c C 0.712 175.018 174.090 0.361 0.000 1.218 391 c CA -0.599 55.931 56.329 0.334 0.000 2.154 391 c CB 0.665 43.337 42.510 0.269 0.000 2.391 391 c HN 0.948 nan 8.230 nan 0.000 0.540 392 S N 4.774 120.568 115.700 0.156 0.000 2.593 392 S HA 0.155 4.626 4.470 0.001 0.000 0.269 392 S C 1.060 175.569 174.600 -0.153 0.000 1.334 392 S CA -0.520 57.447 58.200 -0.388 0.000 1.015 392 S CB 0.526 63.368 63.200 -0.597 0.000 0.912 392 S HN 0.882 nan 8.310 nan 0.000 0.541 393 L N 1.145 122.214 121.223 -0.256 0.000 2.012 393 L HA -0.138 4.203 4.340 0.001 0.000 0.210 393 L C 2.809 179.681 176.870 0.004 0.000 1.073 393 L CA 1.972 56.777 54.840 -0.059 0.000 0.748 393 L CB -1.094 40.900 42.059 -0.109 0.000 0.891 393 L HN 0.993 nan 8.230 nan 0.000 0.431 394 A N -0.294 122.474 122.820 -0.087 0.000 1.902 394 A HA -0.160 4.160 4.320 0.001 0.000 0.217 394 A C 2.278 179.853 177.584 -0.014 0.000 1.181 394 A CA 1.697 53.700 52.037 -0.055 0.000 0.623 394 A CB -1.319 17.630 19.000 -0.085 0.000 0.818 394 A HN 0.537 nan 8.150 nan 0.000 0.443 395 G N -1.258 107.543 108.800 0.002 0.000 2.433 395 G HA2 -0.240 3.720 3.960 0.001 0.000 0.216 395 G HA3 -0.240 3.720 3.960 0.001 0.000 0.216 395 G C 1.520 176.477 174.900 0.095 0.000 1.186 395 G CA 1.120 46.250 45.100 0.051 0.000 0.779 395 G HN 0.524 nan 8.290 nan 0.000 0.543 396 F N 1.916 121.869 119.950 0.006 0.000 2.095 396 F HA -0.117 4.411 4.527 0.002 0.000 0.298 396 F C 2.897 178.698 175.800 0.001 0.000 1.104 396 F CA 2.136 60.154 58.000 0.030 0.000 1.232 396 F CB -0.302 38.730 39.000 0.053 0.000 0.987 396 F HN 0.117 nan 8.300 nan 0.000 0.475 397 T N 0.125 114.657 114.554 -0.037 0.000 2.788 397 T HA -0.276 4.074 4.350 0.001 0.000 0.268 397 T C 1.879 176.474 174.700 -0.175 0.000 1.044 397 T CA 1.636 63.648 62.100 -0.146 0.000 1.139 397 T CB -0.393 68.449 68.868 -0.043 0.000 0.867 397 T HN 0.474 nan 8.240 nan 0.000 0.454 398 Q N 0.345 120.079 119.800 -0.111 0.000 2.046 398 Q HA -0.058 4.282 4.340 0.001 0.000 0.200 398 Q C 2.349 178.277 176.000 -0.120 0.000 0.975 398 Q CA 1.199 56.947 55.803 -0.091 0.000 0.836 398 Q CB -0.246 28.463 28.738 -0.047 0.000 0.896 398 Q HN 0.517 nan 8.270 nan 0.000 0.428 399 I N 0.179 120.663 120.570 -0.144 0.000 2.163 399 I HA -0.289 3.882 4.170 0.001 0.000 0.243 399 I C 2.328 178.311 176.117 -0.223 0.000 1.085 399 I CA 0.973 62.184 61.300 -0.149 0.000 1.347 399 I CB -0.248 37.684 38.000 -0.114 0.000 1.044 399 I HN 0.109 nan 8.210 nan 0.000 0.408 400 V N 1.160 120.836 119.914 -0.397 0.000 2.343 400 V HA -0.264 3.857 4.120 0.001 0.000 0.247 400 V C 2.109 178.074 176.094 -0.215 0.000 1.051 400 V CA 1.852 63.931 62.300 -0.369 0.000 1.036 400 V CB -0.797 30.700 31.823 -0.543 0.000 0.654 400 V HN 0.455 nan 8.190 nan 0.000 0.451 401 N N 0.098 118.687 118.700 -0.185 0.000 2.223 401 N HA -0.145 4.596 4.740 0.001 0.000 0.185 401 N C 1.759 177.213 175.510 -0.094 0.000 1.016 401 N CA 1.273 54.250 53.050 -0.123 0.000 0.863 401 N CB -0.126 38.299 38.487 -0.103 0.000 0.983 401 N HN 0.639 nan 8.380 nan 0.000 0.429 402 E N 0.154 120.300 120.200 -0.091 0.000 2.250 402 E HA 0.121 4.471 4.350 0.001 0.000 0.192 402 E C 1.747 178.310 176.600 -0.061 0.000 0.986 402 E CA 0.444 56.804 56.400 -0.066 0.000 0.849 402 E CB 0.108 29.776 29.700 -0.054 0.000 0.797 402 E HN 0.277 nan 8.360 nan 0.000 0.482 403 A N 2.575 125.351 122.820 -0.074 0.000 1.898 403 A HA -0.092 4.228 4.320 0.001 0.000 0.214 403 A C 1.502 179.050 177.584 -0.059 0.000 1.183 403 A CA 0.294 52.296 52.037 -0.059 0.000 0.622 403 A CB -0.515 18.449 19.000 -0.060 0.000 0.824 403 A HN 0.183 nan 8.150 nan 0.000 0.444 404 R N -0.192 120.264 120.500 -0.073 0.000 2.811 404 R HA 0.204 4.545 4.340 0.001 0.000 0.265 404 R C -0.887 175.381 176.300 -0.054 0.000 1.026 404 R CA 0.062 56.123 56.100 -0.066 0.000 1.142 404 R CB 0.145 30.398 30.300 -0.079 0.000 1.027 404 R HN 0.164 nan 8.270 nan 0.000 0.465 405 I N 3.493 124.035 120.570 -0.047 0.000 2.405 405 I HA 0.180 4.350 4.170 0.001 0.000 0.280 405 I C -1.510 174.584 176.117 -0.039 0.000 1.027 405 I CA -3.149 58.127 61.300 -0.041 0.000 1.161 405 I CB 1.023 39.001 38.000 -0.037 0.000 1.300 405 I HN 0.584 nan 8.210 nan 0.000 0.463 406 P HA -0.233 nan 4.420 nan 0.000 0.217 406 P C 1.305 178.586 177.300 -0.031 0.000 1.151 406 P CA 1.619 64.698 63.100 -0.036 0.000 0.849 406 P CB 0.405 32.085 31.700 -0.034 0.000 0.787 407 A N -1.106 121.697 122.820 -0.029 0.000 2.172 407 A HA -0.102 4.219 4.320 0.001 0.000 0.216 407 A C 2.137 179.706 177.584 -0.025 0.000 1.154 407 A CA 1.317 53.339 52.037 -0.025 0.000 0.701 407 A CB -1.404 17.581 19.000 -0.024 0.000 0.789 407 A HN 0.304 nan 8.150 nan 0.000 0.465 408 c N 0.170 118.753 118.600 -0.028 0.000 3.038 408 c HA 0.238 4.808 4.570 0.001 0.000 0.279 408 c C 1.527 175.600 174.090 -0.030 0.000 1.276 408 c CA -0.133 56.179 56.329 -0.028 0.000 1.697 408 c CB -1.470 41.022 42.510 -0.030 0.000 2.032 408 c HN 0.671 nan 8.230 nan 0.000 0.636 409 S N 1.099 116.780 115.700 -0.032 0.000 2.584 409 S HA 0.484 4.955 4.470 0.001 0.000 0.270 409 S C -0.303 174.282 174.600 -0.026 0.000 1.346 409 S CA -0.191 57.989 58.200 -0.033 0.000 1.018 409 S CB 0.742 63.921 63.200 -0.035 0.000 0.899 409 S HN 0.166 nan 8.310 nan 0.000 0.542 410 L N 0.000 121.209 121.223 -0.024 0.000 2.949 410 L HA 0.000 4.340 4.340 0.001 0.000 0.249 410 L CA 0.000 54.830 54.840 -0.017 0.000 0.813 410 L CB 0.000 42.053 42.059 -0.011 0.000 0.961 410 L HN 0.000 nan 8.230 nan 0.000 0.502