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 3hu1_1_A DATA FIRST_RESID 12 DATA SEQUENCE LSTAILKQKN RPNRLIVDEA INEDNSVVSL SQPKMDELQL FRGDTVLLKG DATA SEQUENCE KKRREAVCIV LSDDTCSDEK IRMNRVVRNN LRVGLGDVIS IQPCPDVKYG DATA SEQUENCE KRIHVLPIDD TVEGITGNLF EVYLKPYFLE AYRPIRKGDI FLVRGGMRAV DATA SEQUENCE EFKVVETDPS PYCIVAPDTV IHCEGEPIKR EDEEESLNEV GYDDIGGCRK DATA SEQUENCE QLAQIKEMVE LPLRHPALFK AIGVKPPRGI LLYGPPGTGK TLIARAVANE DATA SEQUENCE TGAFFFLING PEIMSKLAGE SESNLRKAFE EAEKNAPAII FIDELDAIAP DATA SEQUENCE KREKTHGEVE RRIVSQLLTL MDGLKQRAHV IVMAATNRPN SIDPALRRFG DATA SEQUENCE RFDREVDIGI PDATGRLEIL QIHTKNMKLA DDVDLEQVAN ETHGHVGADL DATA SEQUENCE AALCSEAALQ AIRKKMDLID LEDETIDAEV MNSLAVTMDD FRWALSQSNP DATA SEQUENCE S 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 12 L HA 0.000 nan 4.340 nan 0.000 0.249 12 L C 0.000 176.870 176.870 -0.000 0.000 1.165 12 L CA 0.000 54.839 54.840 -0.001 0.000 0.813 12 L CB 0.000 42.059 42.059 0.000 0.000 0.961 13 S N -1.052 114.649 115.700 0.002 0.000 2.406 13 S HA -0.057 4.413 4.470 -0.000 0.000 0.224 13 S C 1.769 176.370 174.600 0.002 0.000 1.030 13 S CA 1.335 59.537 58.200 0.005 0.000 0.958 13 S CB -0.821 62.384 63.200 0.009 0.000 0.811 13 S HN 0.449 nan 8.310 nan 0.000 0.489 14 T N 1.728 116.281 114.554 -0.002 0.000 3.118 14 T HA 0.132 4.482 4.350 -0.000 0.000 0.269 14 T C 1.636 176.331 174.700 -0.009 0.000 1.166 14 T CA 0.892 62.987 62.100 -0.007 0.000 1.073 14 T CB -0.969 67.894 68.868 -0.009 0.000 0.884 14 T HN 0.589 nan 8.240 nan 0.000 0.550 15 A N 1.012 123.829 122.820 -0.006 0.000 1.986 15 A HA -0.085 4.235 4.320 -0.000 0.000 0.220 15 A C 2.156 179.736 177.584 -0.006 0.000 1.171 15 A CA 1.624 53.657 52.037 -0.007 0.000 0.640 15 A CB -0.701 18.295 19.000 -0.007 0.000 0.811 15 A HN 0.733 nan 8.150 nan 0.000 0.451 16 I N -0.983 119.584 120.570 -0.004 0.000 2.493 16 I HA -0.177 3.993 4.170 -0.000 0.000 0.254 16 I C 1.915 178.027 176.117 -0.008 0.000 1.160 16 I CA 1.140 62.441 61.300 0.001 0.000 1.445 16 I CB -0.022 37.985 38.000 0.012 0.000 1.086 16 I HN 0.328 nan 8.210 nan 0.000 0.433 17 L N 0.506 121.717 121.223 -0.020 0.000 2.240 17 L HA -0.043 4.297 4.340 -0.000 0.000 0.211 17 L C 1.304 178.164 176.870 -0.017 0.000 1.106 17 L CA 0.331 55.151 54.840 -0.033 0.000 0.793 17 L CB -0.504 41.528 42.059 -0.045 0.000 0.927 17 L HN 0.098 nan 8.230 nan 0.000 0.446 18 K N 0.492 120.887 120.400 -0.009 0.000 2.489 18 K HA -0.101 4.219 4.320 -0.000 0.000 0.278 18 K C 0.974 177.575 176.600 0.001 0.000 1.000 18 K CA -0.032 56.253 56.287 -0.004 0.000 1.012 18 K CB 0.913 33.411 32.500 -0.004 0.000 0.903 18 K HN 0.068 nan 8.250 nan 0.000 0.485 19 Q N 2.731 122.534 119.800 0.004 0.000 2.123 19 Q HA -0.034 4.306 4.340 -0.000 0.000 0.199 19 Q C -0.602 175.404 176.000 0.010 0.000 0.966 19 Q CA 0.808 56.617 55.803 0.010 0.000 0.845 19 Q CB -0.100 28.644 28.738 0.010 0.000 0.907 19 Q HN 0.537 nan 8.270 nan 0.000 0.439 20 K N 0.852 121.255 120.400 0.005 0.000 7.179 20 K HA -0.102 4.218 4.320 -0.000 0.000 0.702 20 K C -1.383 175.220 176.600 0.005 0.000 2.556 20 K CA 0.395 56.684 56.287 0.003 0.000 1.884 20 K CB -0.557 31.945 32.500 0.003 0.000 2.172 20 K HN 0.256 nan 8.250 nan 0.000 0.261 21 N N 3.908 122.609 118.700 0.002 0.000 2.497 21 N HA 0.273 5.013 4.740 -0.000 0.000 0.271 21 N C -0.340 175.172 175.510 0.002 0.000 1.142 21 N CA -0.173 52.878 53.050 0.002 0.000 0.965 21 N CB 0.679 39.167 38.487 0.001 0.000 1.077 21 N HN 0.287 nan 8.380 nan 0.000 0.462 22 R N 1.757 122.259 120.500 0.003 0.000 2.795 22 R HA 0.363 4.703 4.340 -0.000 0.000 0.275 22 R C -1.629 174.672 176.300 0.001 0.000 0.981 22 R CA -1.476 54.625 56.100 0.002 0.000 0.917 22 R CB 1.082 31.385 30.300 0.005 0.000 1.202 22 R HN 0.264 nan 8.270 nan 0.000 0.469 23 P HA -0.216 nan 4.420 nan 0.000 0.216 23 P C 0.602 177.900 177.300 -0.004 0.000 1.154 23 P CA 1.620 64.718 63.100 -0.003 0.000 0.865 23 P CB 0.140 31.837 31.700 -0.005 0.000 0.789 24 N N -1.188 117.509 118.700 -0.004 0.000 2.336 24 N HA -0.034 4.706 4.740 -0.000 0.000 0.189 24 N C 0.590 176.099 175.510 -0.002 0.000 1.113 24 N CA -0.038 53.009 53.050 -0.006 0.000 0.858 24 N CB -0.061 38.420 38.487 -0.009 0.000 0.970 24 N HN 0.082 nan 8.380 nan 0.000 0.471 25 R N 0.972 121.473 120.500 0.001 0.000 2.205 25 R HA 0.424 4.763 4.340 -0.000 0.000 0.342 25 R C -0.828 175.474 176.300 0.003 0.000 1.058 25 R CA -0.204 55.899 56.100 0.004 0.000 0.904 25 R CB 0.487 30.791 30.300 0.007 0.000 1.089 25 R HN 0.146 nan 8.270 nan 0.000 0.471 26 L N 4.655 125.880 121.223 0.002 0.000 2.354 26 L HA 0.547 4.886 4.340 -0.000 0.000 0.264 26 L C -0.276 176.596 176.870 0.004 0.000 1.008 26 L CA -1.046 53.795 54.840 0.002 0.000 0.819 26 L CB 2.222 44.281 42.059 0.000 0.000 1.339 26 L HN 0.441 nan 8.230 nan 0.000 0.420 27 I N 2.049 122.621 120.570 0.004 0.000 2.474 27 I HA 0.164 4.334 4.170 -0.000 0.000 0.287 27 I C 0.151 176.271 176.117 0.004 0.000 1.048 27 I CA -0.754 60.548 61.300 0.004 0.000 1.383 27 I CB 1.419 39.421 38.000 0.004 0.000 1.412 27 I HN 0.293 nan 8.210 nan 0.000 0.531 28 V N 2.166 122.083 119.914 0.005 0.000 2.427 28 V HA 0.378 4.498 4.120 -0.000 0.000 0.268 28 V C -0.360 175.737 176.094 0.005 0.000 1.046 28 V CA -0.268 62.035 62.300 0.005 0.000 0.970 28 V CB 0.919 32.745 31.823 0.006 0.000 1.001 28 V HN 0.615 nan 8.190 nan 0.000 0.476 29 D N 2.822 123.225 120.400 0.006 0.000 2.299 29 D HA 0.373 5.013 4.640 -0.000 0.000 0.243 29 D C -0.255 176.049 176.300 0.007 0.000 0.982 29 D CA -0.580 53.424 54.000 0.006 0.000 0.924 29 D CB 2.222 43.025 40.800 0.005 0.000 1.238 29 D HN 0.869 nan 8.370 nan 0.000 0.484 30 E N 0.315 120.519 120.200 0.007 0.000 2.413 30 E HA 0.399 4.749 4.350 -0.000 0.000 0.263 30 E C -1.015 175.590 176.600 0.009 0.000 1.015 30 E CA -0.338 56.067 56.400 0.009 0.000 0.916 30 E CB 0.722 30.427 29.700 0.008 0.000 0.947 30 E HN 0.355 nan 8.360 nan 0.000 0.440 31 A N 4.302 127.129 122.820 0.011 0.000 2.371 31 A HA 0.357 4.676 4.320 -0.000 0.000 0.257 31 A C 1.064 178.654 177.584 0.011 0.000 1.089 31 A CA 0.031 52.075 52.037 0.011 0.000 0.794 31 A CB -0.035 18.974 19.000 0.014 0.000 1.029 31 A HN 0.802 nan 8.150 nan 0.000 0.488 32 I N -0.090 120.486 120.570 0.009 0.000 2.731 32 I HA 0.124 4.294 4.170 -0.000 0.000 0.260 32 I C 0.720 176.843 176.117 0.010 0.000 1.138 32 I CA 0.303 61.609 61.300 0.009 0.000 1.461 32 I CB -0.122 37.882 38.000 0.007 0.000 1.128 32 I HN 0.474 nan 8.210 nan 0.000 0.438 33 N N 2.561 121.267 118.700 0.010 0.000 2.406 33 N HA 0.059 4.798 4.740 -0.000 0.000 0.251 33 N C -0.112 175.407 175.510 0.014 0.000 1.069 33 N CA 0.264 53.320 53.050 0.010 0.000 0.947 33 N CB 0.900 39.391 38.487 0.007 0.000 1.111 33 N HN 0.302 nan 8.380 nan 0.000 0.497 34 E N 1.277 121.488 120.200 0.019 0.000 2.368 34 E HA 0.020 4.370 4.350 -0.000 0.000 0.188 34 E C -0.786 175.837 176.600 0.038 0.000 1.061 34 E CA -0.180 56.237 56.400 0.028 0.000 0.933 34 E CB 0.094 29.811 29.700 0.029 0.000 1.091 34 E HN 0.541 nan 8.360 nan 0.000 0.458 35 D N -0.491 119.925 120.400 0.028 0.000 2.345 35 D HA 0.039 4.679 4.640 -0.000 0.000 0.247 35 D C 0.837 177.162 176.300 0.042 0.000 1.108 35 D CA -0.057 53.960 54.000 0.028 0.000 0.894 35 D CB 0.844 41.638 40.800 -0.010 0.000 1.203 35 D HN -0.112 nan 8.370 nan 0.000 0.430 36 N N 0.917 119.664 118.700 0.079 0.000 2.381 36 N HA -0.090 4.650 4.740 -0.000 0.000 0.182 36 N C 0.897 176.432 175.510 0.041 0.000 1.025 36 N CA 0.546 53.655 53.050 0.099 0.000 0.888 36 N CB 0.112 38.727 38.487 0.212 0.000 0.965 36 N HN 0.195 nan 8.380 nan 0.000 0.438 37 S N -0.453 115.240 115.700 -0.012 0.000 2.556 37 S HA 0.154 4.624 4.470 -0.000 0.000 0.216 37 S C 0.427 175.016 174.600 -0.018 0.000 0.970 37 S CA -0.292 57.890 58.200 -0.031 0.000 0.912 37 S CB 0.726 63.880 63.200 -0.077 0.000 0.790 37 S HN 0.031 nan 8.310 nan 0.000 0.504 38 V N 2.722 122.631 119.914 -0.008 0.000 2.555 38 V HA 0.691 4.811 4.120 -0.000 0.000 0.302 38 V C -0.915 175.180 176.094 0.000 0.000 1.038 38 V CA -0.643 61.654 62.300 -0.006 0.000 0.887 38 V CB 1.771 33.591 31.823 -0.006 0.000 0.991 38 V HN 0.150 nan 8.190 nan 0.000 0.434 39 V N 3.371 123.284 119.914 -0.003 0.000 2.735 39 V HA 0.796 4.916 4.120 -0.000 0.000 0.310 39 V C -0.256 175.838 176.094 0.000 0.000 1.061 39 V CA -0.444 61.856 62.300 -0.001 0.000 0.913 39 V CB 1.845 33.665 31.823 -0.005 0.000 1.005 39 V HN 0.763 nan 8.190 nan 0.000 0.428 40 S N 4.531 120.233 115.700 0.002 0.000 2.472 40 S HA 0.875 5.345 4.470 -0.000 0.000 0.303 40 S C -0.562 174.040 174.600 0.004 0.000 1.099 40 S CA -0.590 57.612 58.200 0.004 0.000 1.077 40 S CB 1.191 64.394 63.200 0.005 0.000 1.031 40 S HN 0.712 nan 8.310 nan 0.000 0.487 41 L N 1.745 122.971 121.223 0.005 0.000 2.393 41 L HA 0.561 4.901 4.340 -0.000 0.000 0.260 41 L C 0.300 177.175 176.870 0.008 0.000 1.002 41 L CA -0.947 53.896 54.840 0.005 0.000 0.818 41 L CB 2.232 44.293 42.059 0.004 0.000 1.369 41 L HN 0.728 nan 8.230 nan 0.000 0.412 42 S N 0.155 115.859 115.700 0.007 0.000 2.572 42 S HA 0.019 4.488 4.470 -0.000 0.000 0.279 42 S C 0.644 175.251 174.600 0.012 0.000 1.341 42 S CA -0.163 58.042 58.200 0.008 0.000 1.043 42 S CB 1.555 64.759 63.200 0.007 0.000 0.887 42 S HN 0.697 nan 8.310 nan 0.000 0.516 43 Q N 2.534 122.342 119.800 0.013 0.000 2.096 43 Q HA 0.024 4.364 4.340 -0.000 0.000 0.204 43 Q C -0.960 175.052 176.000 0.020 0.000 0.982 43 Q CA 2.162 57.976 55.803 0.018 0.000 0.850 43 Q CB -1.661 27.087 28.738 0.017 0.000 0.901 43 Q HN 0.711 nan 8.270 nan 0.000 0.422 44 P HA -0.129 nan 4.420 nan 0.000 0.218 44 P C 0.649 177.957 177.300 0.013 0.000 1.148 44 P CA 1.454 64.562 63.100 0.014 0.000 0.822 44 P CB 0.011 31.718 31.700 0.010 0.000 0.784 45 K N -0.516 119.891 120.400 0.011 0.000 2.103 45 K HA 0.030 4.350 4.320 -0.000 0.000 0.204 45 K C 2.026 178.630 176.600 0.007 0.000 1.052 45 K CA 1.344 57.635 56.287 0.007 0.000 0.945 45 K CB -0.888 31.614 32.500 0.004 0.000 0.722 45 K HN 0.034 nan 8.250 nan 0.000 0.443 46 M N 0.514 120.123 119.600 0.015 0.000 2.175 46 M HA -0.155 4.325 4.480 -0.000 0.000 0.264 46 M C 1.071 177.388 176.300 0.028 0.000 1.063 46 M CA 1.561 56.873 55.300 0.020 0.000 1.119 46 M CB -0.246 32.377 32.600 0.037 0.000 1.377 46 M HN 0.102 nan 8.290 nan 0.000 0.415 47 D N -0.010 120.412 120.400 0.037 0.000 2.183 47 D HA -0.138 4.502 4.640 -0.000 0.000 0.203 47 D C 1.782 178.096 176.300 0.024 0.000 0.969 47 D CA 0.992 55.020 54.000 0.046 0.000 0.842 47 D CB -0.222 40.606 40.800 0.046 0.000 0.957 47 D HN 0.461 nan 8.370 nan 0.000 0.484 48 E N 0.191 120.398 120.200 0.012 0.000 2.150 48 E HA -0.058 4.292 4.350 -0.000 0.000 0.193 48 E C 1.616 178.211 176.600 -0.010 0.000 0.985 48 E CA 0.393 56.795 56.400 0.002 0.000 0.814 48 E CB 0.177 29.878 29.700 0.002 0.000 0.752 48 E HN 0.247 nan 8.360 nan 0.000 0.466 49 L N 0.327 121.539 121.223 -0.018 0.000 2.628 49 L HA 0.130 4.470 4.340 -0.000 0.000 0.229 49 L C 0.048 176.876 176.870 -0.071 0.000 1.137 49 L CA -0.018 54.799 54.840 -0.038 0.000 0.909 49 L CB 0.185 42.223 42.059 -0.035 0.000 1.137 49 L HN 0.033 nan 8.230 nan 0.000 0.470 50 Q N 1.040 120.798 119.800 -0.070 0.000 2.443 50 Q HA -0.181 4.159 4.340 -0.000 0.000 0.337 50 Q C -0.715 175.121 176.000 -0.273 0.000 1.401 50 Q CA 0.539 56.257 55.803 -0.142 0.000 0.943 50 Q CB -1.329 27.317 28.738 -0.153 0.000 1.177 50 Q HN 0.452 nan 8.270 nan 0.000 0.394 51 L N 1.221 122.352 121.223 -0.155 0.000 2.294 51 L HA 0.494 4.834 4.340 -0.000 0.000 0.283 51 L C 0.261 177.145 176.870 0.023 0.000 1.015 51 L CA -0.515 54.240 54.840 -0.141 0.000 0.831 51 L CB 0.653 42.675 42.059 -0.062 0.000 1.217 51 L HN 0.141 nan 8.230 nan 0.000 0.420 52 F N 1.701 121.643 119.950 -0.014 0.000 2.403 52 F HA 0.314 4.840 4.527 -0.000 0.000 0.320 52 F C 1.174 176.964 175.800 -0.016 0.000 1.176 52 F CA -0.923 57.068 58.000 -0.014 0.000 1.206 52 F CB 0.573 39.565 39.000 -0.014 0.000 1.235 52 F HN 0.433 nan 8.300 nan 0.000 0.565 53 R N 0.578 121.197 120.500 0.199 0.000 2.537 53 R HA 0.201 4.541 4.340 -0.000 0.000 0.280 53 R C 0.813 177.160 176.300 0.078 0.000 1.058 53 R CA 0.991 57.148 56.100 0.094 0.000 1.057 53 R CB 0.181 30.512 30.300 0.051 0.000 0.973 53 R HN 0.949 nan 8.270 nan 0.000 0.438 54 G N 2.973 111.800 108.800 0.045 0.000 2.153 54 G HA2 -0.234 3.725 3.960 -0.000 0.000 0.252 54 G HA3 -0.234 3.725 3.960 -0.000 0.000 0.252 54 G C -0.522 174.391 174.900 0.022 0.000 0.994 54 G CA 0.222 45.338 45.100 0.026 0.000 0.698 54 G HN 0.643 nan 8.290 nan 0.000 0.521 55 D N 1.270 121.686 120.400 0.027 0.000 2.302 55 D HA 0.467 5.107 4.640 -0.000 0.000 0.248 55 D C 1.176 177.460 176.300 -0.027 0.000 1.094 55 D CA 0.736 54.736 54.000 0.001 0.000 0.897 55 D CB 1.012 41.803 40.800 -0.015 0.000 1.200 55 D HN 0.360 nan 8.370 nan 0.000 0.429 56 T N -1.066 113.461 114.554 -0.044 0.000 2.834 56 T HA 0.418 4.768 4.350 -0.000 0.000 0.298 56 T C 0.450 175.101 174.700 -0.082 0.000 0.966 56 T CA -0.823 61.238 62.100 -0.064 0.000 1.141 56 T CB 0.367 69.190 68.868 -0.074 0.000 0.905 56 T HN 0.189 nan 8.240 nan 0.000 0.535 57 V N 1.337 121.197 119.914 -0.090 0.000 2.864 57 V HA 0.810 4.930 4.120 -0.000 0.000 0.314 57 V C -0.614 175.397 176.094 -0.138 0.000 1.073 57 V CA -1.494 60.747 62.300 -0.099 0.000 0.956 57 V CB 1.656 33.438 31.823 -0.069 0.000 1.023 57 V HN 0.834 nan 8.190 nan 0.000 0.435 58 L N 4.142 125.278 121.223 -0.144 0.000 2.287 58 L HA 0.680 5.020 4.340 -0.000 0.000 0.287 58 L C -0.715 176.098 176.870 -0.096 0.000 1.022 58 L CA -0.150 54.589 54.840 -0.168 0.000 0.814 58 L CB 0.902 42.837 42.059 -0.207 0.000 1.217 58 L HN 0.741 nan 8.230 nan 0.000 0.420 59 L N 5.149 126.325 121.223 -0.079 0.000 2.317 59 L HA 0.562 4.902 4.340 -0.000 0.000 0.281 59 L C -0.242 176.612 176.870 -0.027 0.000 1.024 59 L CA -0.702 54.112 54.840 -0.042 0.000 0.810 59 L CB 1.412 43.453 42.059 -0.031 0.000 1.240 59 L HN 0.538 nan 8.230 nan 0.000 0.427 60 K N 1.375 121.769 120.400 -0.011 0.000 2.323 60 K HA 0.589 4.909 4.320 -0.000 0.000 0.259 60 K C 0.086 176.691 176.600 0.008 0.000 0.947 60 K CA -0.396 55.892 56.287 0.003 0.000 0.819 60 K CB 2.209 34.715 32.500 0.010 0.000 1.109 60 K HN 0.748 nan 8.250 nan 0.000 0.429 61 G N 2.114 110.920 108.800 0.009 0.000 2.940 61 G HA2 0.319 4.279 3.960 -0.000 0.000 0.164 61 G HA3 0.319 4.279 3.960 -0.000 0.000 0.164 61 G C -0.683 174.224 174.900 0.012 0.000 1.326 61 G CA -0.480 44.626 45.100 0.010 0.000 1.020 61 G HN 0.379 nan 8.290 nan 0.000 0.586 62 K N -0.169 120.234 120.400 0.006 0.000 2.090 62 K HA 0.372 4.692 4.320 -0.000 0.000 0.250 62 K C -0.290 176.299 176.600 -0.018 0.000 1.004 62 K CA -0.353 55.935 56.287 0.002 0.000 0.919 62 K CB 0.871 33.371 32.500 -0.000 0.000 1.045 62 K HN 0.374 nan 8.250 nan 0.000 0.471 63 K N 1.173 121.549 120.400 -0.040 0.000 3.077 63 K HA -0.275 4.045 4.320 -0.000 0.000 0.264 63 K C -0.205 176.360 176.600 -0.058 0.000 1.008 63 K CA 0.931 57.169 56.287 -0.083 0.000 0.740 63 K CB -1.123 31.316 32.500 -0.101 0.000 1.273 63 K HN 0.765 nan 8.250 nan 0.000 0.477 64 R N -1.155 119.328 120.500 -0.028 0.000 3.951 64 R HA -0.210 4.130 4.340 -0.000 0.000 0.352 64 R C -0.762 175.542 176.300 0.005 0.000 1.178 64 R CA 1.443 57.538 56.100 -0.007 0.000 0.949 64 R CB -0.641 29.648 30.300 -0.018 0.000 1.452 64 R HN 0.306 nan 8.270 nan 0.000 0.540 65 R N 1.193 121.694 120.500 0.002 0.000 2.490 65 R HA 0.359 4.698 4.340 -0.000 0.000 0.278 65 R C -0.156 176.156 176.300 0.020 0.000 1.069 65 R CA -0.043 56.064 56.100 0.012 0.000 1.080 65 R CB 0.911 31.214 30.300 0.006 0.000 1.030 65 R HN 0.393 nan 8.270 nan 0.000 0.491 66 E N -0.157 120.061 120.200 0.030 0.000 2.393 66 E HA 0.689 5.039 4.350 -0.000 0.000 0.273 66 E C -1.342 175.270 176.600 0.021 0.000 0.918 66 E CA -0.912 55.501 56.400 0.021 0.000 0.773 66 E CB 2.540 32.259 29.700 0.033 0.000 1.275 66 E HN 0.637 nan 8.360 nan 0.000 0.451 67 A N 0.864 123.678 122.820 -0.009 0.000 2.486 67 A HA 0.621 4.940 4.320 -0.000 0.000 0.300 67 A C -1.030 176.512 177.584 -0.070 0.000 1.048 67 A CA -0.775 51.255 52.037 -0.011 0.000 0.696 67 A CB 1.313 20.318 19.000 0.008 0.000 1.278 67 A HN 0.362 nan 8.150 nan 0.000 0.405 68 V N -0.871 118.996 119.914 -0.077 0.000 2.370 68 V HA 0.707 4.827 4.120 -0.000 0.000 0.283 68 V C -0.058 175.996 176.094 -0.067 0.000 1.023 68 V CA -0.735 61.488 62.300 -0.129 0.000 0.857 68 V CB -0.062 31.638 31.823 -0.205 0.000 0.985 68 V HN 0.928 nan 8.190 nan 0.000 0.443 69 C N 4.447 123.706 119.300 -0.068 0.000 2.913 69 C HA 0.722 5.181 4.460 -0.000 0.000 0.322 69 C C -0.072 174.893 174.990 -0.043 0.000 1.292 69 C CA -0.705 58.288 59.018 -0.041 0.000 1.649 69 C CB 1.959 29.682 27.740 -0.028 0.000 2.139 69 C HN 0.991 nan 8.230 nan 0.000 0.475 70 I N 1.251 121.804 120.570 -0.028 0.000 2.354 70 I HA 0.500 4.669 4.170 -0.000 0.000 0.292 70 I C -0.411 175.697 176.117 -0.014 0.000 0.989 70 I CA -0.121 61.166 61.300 -0.021 0.000 1.188 70 I CB 1.133 39.126 38.000 -0.012 0.000 1.342 70 I HN 0.424 nan 8.210 nan 0.000 0.457 71 V N 8.432 128.340 119.914 -0.011 0.000 2.465 71 V HA 0.524 4.644 4.120 -0.000 0.000 0.279 71 V C -0.455 175.644 176.094 0.008 0.000 1.045 71 V CA -0.238 62.060 62.300 -0.004 0.000 0.938 71 V CB 1.313 33.130 31.823 -0.009 0.000 0.986 71 V HN 0.558 nan 8.190 nan 0.000 0.467 72 L N 5.270 126.498 121.223 0.008 0.000 2.371 72 L HA 0.616 4.956 4.340 -0.000 0.000 0.262 72 L C -0.012 176.866 176.870 0.013 0.000 1.006 72 L CA -0.749 54.099 54.840 0.012 0.000 0.818 72 L CB 2.643 44.706 42.059 0.008 0.000 1.354 72 L HN 0.693 nan 8.230 nan 0.000 0.415 73 S N -0.576 115.133 115.700 0.015 0.000 2.545 73 S HA 0.474 4.944 4.470 -0.000 0.000 0.275 73 S C -0.833 173.773 174.600 0.010 0.000 1.299 73 S CA -0.658 57.550 58.200 0.014 0.000 1.048 73 S CB 1.687 64.897 63.200 0.017 0.000 0.938 73 S HN 0.568 nan 8.310 nan 0.000 0.496 74 D N 0.300 120.705 120.400 0.009 0.000 2.738 74 D HA 0.412 5.052 4.640 -0.000 0.000 0.237 74 D C -0.563 175.741 176.300 0.006 0.000 1.123 74 D CA -0.614 53.391 54.000 0.007 0.000 0.856 74 D CB 2.185 42.988 40.800 0.006 0.000 1.552 74 D HN 0.442 nan 8.370 nan 0.000 0.480 75 D N 0.323 120.726 120.400 0.005 0.000 2.324 75 D HA -0.012 4.628 4.640 -0.000 0.000 0.212 75 D C 1.569 177.872 176.300 0.004 0.000 0.984 75 D CA 0.530 54.532 54.000 0.005 0.000 0.885 75 D CB 0.221 41.024 40.800 0.004 0.000 0.996 75 D HN 0.381 nan 8.370 nan 0.000 0.505 76 T N -0.519 114.037 114.554 0.004 0.000 3.035 76 T HA -0.074 4.276 4.350 -0.000 0.000 0.268 76 T C 0.771 175.473 174.700 0.004 0.000 1.109 76 T CA 0.246 62.348 62.100 0.004 0.000 1.119 76 T CB -0.510 68.361 68.868 0.004 0.000 0.900 76 T HN 0.198 nan 8.240 nan 0.000 0.503 77 C N 2.842 122.145 119.300 0.005 0.000 2.585 77 C HA 0.606 5.066 4.460 -0.000 0.000 0.406 77 C C 0.933 175.926 174.990 0.004 0.000 1.312 77 C CA -0.886 58.135 59.018 0.005 0.000 1.924 77 C CB -0.590 27.153 27.740 0.005 0.000 2.578 77 C HN 0.517 nan 8.230 nan 0.000 0.580 78 S N 4.419 120.121 115.700 0.004 0.000 2.589 78 S HA 0.039 4.509 4.470 -0.000 0.000 0.265 78 S C 0.896 175.498 174.600 0.004 0.000 1.342 78 S CA -0.286 57.916 58.200 0.004 0.000 1.005 78 S CB 0.684 63.886 63.200 0.003 0.000 0.909 78 S HN 0.869 nan 8.310 nan 0.000 0.555 79 D N 1.620 122.023 120.400 0.004 0.000 2.092 79 D HA -0.125 4.515 4.640 -0.000 0.000 0.193 79 D C 1.250 177.552 176.300 0.003 0.000 0.994 79 D CA 1.464 55.467 54.000 0.004 0.000 0.828 79 D CB -0.136 40.667 40.800 0.004 0.000 0.963 79 D HN 0.679 nan 8.370 nan 0.000 0.450 80 E N 0.031 120.232 120.200 0.003 0.000 2.311 80 E HA 0.237 4.587 4.350 -0.000 0.000 0.198 80 E C -0.272 176.330 176.600 0.002 0.000 1.115 80 E CA -0.090 56.311 56.400 0.002 0.000 1.140 80 E CB -0.140 29.561 29.700 0.002 0.000 1.204 80 E HN 0.054 nan 8.360 nan 0.000 0.446 81 K N 0.404 120.805 120.400 0.003 0.000 2.385 81 K HA 0.598 4.918 4.320 -0.000 0.000 0.248 81 K C -1.128 175.473 176.600 0.002 0.000 0.955 81 K CA -1.035 55.254 56.287 0.003 0.000 0.816 81 K CB 2.341 34.843 32.500 0.003 0.000 1.250 81 K HN 0.135 nan 8.250 nan 0.000 0.434 82 I N 1.502 122.074 120.570 0.002 0.000 2.509 82 I HA 0.365 4.535 4.170 -0.000 0.000 0.293 82 I C -1.021 175.098 176.117 0.004 0.000 1.020 82 I CA -0.741 60.561 61.300 0.002 0.000 1.088 82 I CB 1.200 39.200 38.000 -0.000 0.000 1.267 82 I HN 0.469 nan 8.210 nan 0.000 0.430 83 R N 8.720 129.223 120.500 0.004 0.000 2.346 83 R HA 0.718 5.057 4.340 -0.000 0.000 0.311 83 R C -1.035 175.269 176.300 0.007 0.000 0.983 83 R CA -0.639 55.465 56.100 0.006 0.000 0.880 83 R CB 1.663 31.967 30.300 0.006 0.000 1.100 83 R HN 0.681 nan 8.270 nan 0.000 0.453 84 M N 0.256 119.862 119.600 0.010 0.000 2.414 84 M HA 0.346 4.826 4.480 -0.000 0.000 0.287 84 M C -1.047 175.264 176.300 0.018 0.000 1.181 84 M CA -1.322 53.986 55.300 0.014 0.000 0.933 84 M CB 1.891 34.498 32.600 0.013 0.000 1.732 84 M HN 0.385 nan 8.290 nan 0.000 0.486 85 N N 1.678 120.393 118.700 0.024 0.000 2.285 85 N HA 0.319 5.059 4.740 -0.000 0.000 0.262 85 N C 0.261 175.788 175.510 0.029 0.000 1.299 85 N CA -0.235 52.832 53.050 0.028 0.000 0.930 85 N CB 0.454 38.963 38.487 0.036 0.000 1.157 85 N HN 0.835 nan 8.380 nan 0.000 0.532 86 R N -1.016 119.501 120.500 0.029 0.000 2.081 86 R HA -0.061 4.279 4.340 -0.000 0.000 0.235 86 R C 1.821 178.143 176.300 0.036 0.000 1.131 86 R CA 1.304 57.420 56.100 0.027 0.000 0.960 86 R CB -0.731 29.582 30.300 0.021 0.000 0.856 86 R HN 0.393 nan 8.270 nan 0.000 0.436 87 V N 0.575 120.520 119.914 0.052 0.000 2.287 87 V HA -0.252 3.868 4.120 -0.000 0.000 0.248 87 V C 2.383 178.521 176.094 0.074 0.000 1.053 87 V CA 1.818 64.162 62.300 0.074 0.000 1.027 87 V CB -0.356 31.534 31.823 0.111 0.000 0.646 87 V HN 0.140 nan 8.190 nan 0.000 0.447 88 V N -0.477 119.473 119.914 0.061 0.000 2.307 88 V HA -0.240 3.879 4.120 -0.000 0.000 0.245 88 V C 2.528 178.643 176.094 0.036 0.000 1.045 88 V CA 2.025 64.355 62.300 0.049 0.000 1.024 88 V CB -0.823 31.021 31.823 0.035 0.000 0.651 88 V HN 0.427 nan 8.190 nan 0.000 0.449 89 R N 0.127 120.644 120.500 0.029 0.000 2.091 89 R HA -0.210 4.130 4.340 -0.000 0.000 0.238 89 R C 2.278 178.589 176.300 0.019 0.000 1.136 89 R CA 2.123 58.236 56.100 0.020 0.000 0.959 89 R CB -0.490 29.820 30.300 0.016 0.000 0.856 89 R HN 0.573 nan 8.270 nan 0.000 0.437 90 N N 0.272 118.986 118.700 0.024 0.000 2.061 90 N HA -0.169 4.571 4.740 -0.000 0.000 0.193 90 N C 1.263 176.788 175.510 0.026 0.000 1.030 90 N CA 1.822 54.885 53.050 0.021 0.000 0.856 90 N CB -0.132 38.369 38.487 0.025 0.000 1.023 90 N HN 0.280 nan 8.380 nan 0.000 0.424 91 N N -0.359 118.365 118.700 0.041 0.000 2.223 91 N HA -0.052 4.688 4.740 -0.000 0.000 0.185 91 N C 0.845 176.375 175.510 0.032 0.000 1.016 91 N CA 0.578 53.657 53.050 0.048 0.000 0.863 91 N CB 0.037 38.567 38.487 0.072 0.000 0.983 91 N HN 0.211 nan 8.380 nan 0.000 0.429 92 L N 0.512 121.750 121.223 0.024 0.000 2.592 92 L HA 0.209 4.548 4.340 -0.000 0.000 0.227 92 L C 0.026 176.900 176.870 0.007 0.000 1.127 92 L CA -0.124 54.725 54.840 0.015 0.000 0.884 92 L CB 0.088 42.155 42.059 0.012 0.000 1.065 92 L HN 0.078 nan 8.230 nan 0.000 0.457 93 R N 0.288 120.791 120.500 0.005 0.000 3.322 93 R HA -0.139 4.201 4.340 -0.000 0.000 0.253 93 R C -0.584 175.714 176.300 -0.003 0.000 0.987 93 R CA 0.758 56.855 56.100 -0.004 0.000 0.666 93 R CB -2.614 27.677 30.300 -0.015 0.000 1.072 93 R HN 0.313 nan 8.270 nan 0.000 0.447 94 V N -3.494 116.422 119.914 0.002 0.000 2.823 94 V HA 0.999 5.119 4.120 -0.000 0.000 0.312 94 V C 0.659 176.756 176.094 0.004 0.000 1.072 94 V CA -0.323 61.980 62.300 0.004 0.000 0.937 94 V CB 2.652 34.479 31.823 0.007 0.000 1.013 94 V HN 0.261 nan 8.190 nan 0.000 0.430 95 G N 1.873 110.675 108.800 0.003 0.000 2.537 95 G HA2 0.643 4.603 3.960 -0.000 0.000 0.323 95 G HA3 0.643 4.603 3.960 -0.000 0.000 0.323 95 G C -0.876 174.027 174.900 0.005 0.000 1.207 95 G CA -1.289 43.813 45.100 0.003 0.000 0.976 95 G HN 0.893 nan 8.290 nan 0.000 0.487 96 L N 1.137 122.363 121.223 0.005 0.000 2.628 96 L HA 0.316 4.656 4.340 -0.000 0.000 0.274 96 L C 1.588 178.460 176.870 0.004 0.000 1.209 96 L CA 2.096 56.938 54.840 0.005 0.000 0.930 96 L CB 0.305 42.367 42.059 0.005 0.000 1.183 96 L HN 1.126 nan 8.230 nan 0.000 0.492 97 G N 1.097 109.900 108.800 0.005 0.000 2.278 97 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.210 97 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.210 97 G C 0.090 174.994 174.900 0.006 0.000 1.000 97 G CA -0.297 44.806 45.100 0.005 0.000 0.635 97 G HN 0.551 nan 8.290 nan 0.000 0.495 98 D N 1.068 121.472 120.400 0.007 0.000 2.362 98 D HA 0.451 5.091 4.640 -0.000 0.000 0.242 98 D C 1.095 177.400 176.300 0.009 0.000 1.132 98 D CA 0.498 54.503 54.000 0.008 0.000 0.907 98 D CB 1.751 42.557 40.800 0.009 0.000 1.195 98 D HN 0.892 nan 8.370 nan 0.000 0.429 99 V N -0.550 119.371 119.914 0.011 0.000 2.607 99 V HA 0.618 4.738 4.120 -0.000 0.000 0.289 99 V C 0.127 176.227 176.094 0.011 0.000 1.053 99 V CA -0.720 61.586 62.300 0.010 0.000 0.996 99 V CB 0.645 32.474 31.823 0.011 0.000 0.995 99 V HN 0.435 nan 8.190 nan 0.000 0.476 100 I N 1.381 121.956 120.570 0.008 0.000 2.785 100 I HA 0.799 4.969 4.170 -0.000 0.000 0.302 100 I C 0.036 176.156 176.117 0.005 0.000 1.069 100 I CA -0.656 60.648 61.300 0.007 0.000 1.045 100 I CB 2.069 40.071 38.000 0.004 0.000 1.236 100 I HN 0.506 nan 8.210 nan 0.000 0.429 101 S N 3.962 119.665 115.700 0.005 0.000 2.584 101 S HA 0.646 5.116 4.470 -0.000 0.000 0.273 101 S C -0.379 174.216 174.600 -0.009 0.000 1.311 101 S CA -0.398 57.803 58.200 0.001 0.000 1.034 101 S CB 0.805 64.008 63.200 0.005 0.000 0.939 101 S HN 0.652 nan 8.310 nan 0.000 0.513 102 I N 2.051 122.614 120.570 -0.013 0.000 2.498 102 I HA 0.424 4.594 4.170 -0.000 0.000 0.290 102 I C -0.930 175.169 176.117 -0.030 0.000 1.032 102 I CA -0.416 60.870 61.300 -0.024 0.000 1.073 102 I CB 1.632 39.618 38.000 -0.023 0.000 1.251 102 I HN 0.545 nan 8.210 nan 0.000 0.426 103 Q N 8.106 127.881 119.800 -0.042 0.000 2.372 103 Q HA 0.553 4.892 4.340 -0.000 0.000 0.273 103 Q C -2.571 173.392 176.000 -0.062 0.000 1.078 103 Q CA -2.033 53.743 55.803 -0.045 0.000 0.806 103 Q CB 2.712 31.427 28.738 -0.039 0.000 1.332 103 Q HN 0.338 nan 8.270 nan 0.000 0.435 104 P HA -0.005 nan 4.420 nan 0.000 0.269 104 P C -0.732 176.525 177.300 -0.071 0.000 1.209 104 P CA -0.074 62.979 63.100 -0.078 0.000 0.776 104 P CB 0.711 32.358 31.700 -0.089 0.000 0.876 105 C N 5.018 124.271 119.300 -0.078 0.000 3.498 105 C HA 0.326 4.786 4.460 -0.000 0.000 0.218 105 C C -1.854 173.105 174.990 -0.052 0.000 1.284 105 C CA -1.364 57.611 59.018 -0.071 0.000 1.343 105 C CB -0.339 27.320 27.740 -0.134 0.000 1.825 105 C HN 0.437 nan 8.230 nan 0.000 0.518 106 P HA 0.145 nan 4.420 nan 0.000 0.255 106 P C 0.905 178.200 177.300 -0.009 0.000 1.248 106 P CA 0.730 63.812 63.100 -0.031 0.000 0.807 106 P CB 0.187 31.866 31.700 -0.035 0.000 1.150 107 D N -0.126 120.285 120.400 0.018 0.000 2.224 107 D HA -0.032 4.607 4.640 -0.000 0.000 0.205 107 D C 0.427 176.755 176.300 0.047 0.000 0.965 107 D CA 0.573 54.600 54.000 0.045 0.000 0.852 107 D CB -0.030 40.823 40.800 0.089 0.000 0.947 107 D HN 0.008 nan 8.370 nan 0.000 0.494 108 V N 2.678 122.620 119.914 0.047 0.000 2.475 108 V HA -0.094 4.025 4.120 -0.000 0.000 0.292 108 V C 0.829 176.888 176.094 -0.059 0.000 1.003 108 V CA 0.170 62.498 62.300 0.047 0.000 1.120 108 V CB -0.234 31.601 31.823 0.020 0.000 0.937 108 V HN -0.037 nan 8.190 nan 0.000 0.476 109 K N 3.867 124.255 120.400 -0.020 0.000 2.168 109 K HA 0.372 4.692 4.320 -0.000 0.000 0.258 109 K C -0.574 175.980 176.600 -0.076 0.000 1.010 109 K CA -0.474 55.802 56.287 -0.018 0.000 0.929 109 K CB 0.506 33.028 32.500 0.036 0.000 0.998 109 K HN 0.528 nan 8.250 nan 0.000 0.479 110 Y N 0.302 120.639 120.300 0.061 0.000 2.425 110 Y HA 0.107 4.657 4.550 -0.000 0.000 0.331 110 Y C 1.330 177.257 175.900 0.044 0.000 1.157 110 Y CA 0.019 58.161 58.100 0.070 0.000 1.372 110 Y CB 0.654 39.161 38.460 0.079 0.000 1.253 110 Y HN 0.659 nan 8.280 nan 0.000 0.536 111 G N 2.907 111.814 108.800 0.179 0.000 2.441 111 G HA2 0.130 4.090 3.960 -0.000 0.000 0.243 111 G HA3 0.130 4.090 3.960 -0.000 0.000 0.243 111 G C 0.431 175.375 174.900 0.073 0.000 1.281 111 G CA -0.412 44.741 45.100 0.090 0.000 0.854 111 G HN 0.728 nan 8.290 nan 0.000 0.560 112 K N 0.900 121.330 120.400 0.051 0.000 2.102 112 K HA 0.206 4.526 4.320 -0.000 0.000 0.206 112 K C 0.923 177.540 176.600 0.028 0.000 1.031 112 K CA 0.663 56.974 56.287 0.038 0.000 0.962 112 K CB 0.276 32.799 32.500 0.039 0.000 0.811 112 K HN 0.491 nan 8.250 nan 0.000 0.453 113 R N 0.457 120.985 120.500 0.047 0.000 2.575 113 R HA 0.432 4.772 4.340 -0.000 0.000 0.293 113 R C -1.085 175.269 176.300 0.089 0.000 0.983 113 R CA -0.657 55.494 56.100 0.086 0.000 0.887 113 R CB 1.847 32.237 30.300 0.151 0.000 1.184 113 R HN 0.245 nan 8.270 nan 0.000 0.445 114 I N -1.922 118.698 120.570 0.083 0.000 2.740 114 I HA 0.538 4.708 4.170 -0.000 0.000 0.303 114 I C -0.850 175.379 176.117 0.186 0.000 1.044 114 I CA -0.944 60.418 61.300 0.103 0.000 1.064 114 I CB 2.287 40.300 38.000 0.021 0.000 1.249 114 I HN 0.582 nan 8.210 nan 0.000 0.433 115 H N 4.232 123.369 119.070 0.112 0.000 2.708 115 H HA 0.709 5.265 4.556 -0.000 0.000 0.320 115 H C -1.129 174.290 175.328 0.151 0.000 0.991 115 H CA -0.681 55.446 56.048 0.131 0.000 1.243 115 H CB 1.492 31.302 29.762 0.082 0.000 1.446 115 H HN 0.686 nan 8.280 nan 0.000 0.502 116 V N 3.504 123.526 119.914 0.181 0.000 2.769 116 V HA 0.671 4.791 4.120 -0.000 0.000 0.312 116 V C -0.806 175.442 176.094 0.257 0.000 1.058 116 V CA -0.910 61.551 62.300 0.269 0.000 0.952 116 V CB 1.986 33.986 31.823 0.295 0.000 1.019 116 V HN 0.623 nan 8.190 nan 0.000 0.445 117 L N 3.246 124.649 121.223 0.300 0.000 2.445 117 L HA 0.625 4.965 4.340 -0.000 0.000 0.262 117 L C -2.679 174.276 176.870 0.141 0.000 0.974 117 L CA -1.803 53.180 54.840 0.237 0.000 0.822 117 L CB 3.285 45.449 42.059 0.175 0.000 1.339 117 L HN 0.488 nan 8.230 nan 0.000 0.409 118 P HA 0.246 nan 4.420 nan 0.000 0.277 118 P C -0.750 176.357 177.300 -0.321 0.000 1.240 118 P CA -0.336 62.456 63.100 -0.513 0.000 0.798 118 P CB 1.111 32.462 31.700 -0.582 0.000 0.979 119 I N 3.255 123.596 120.570 -0.381 0.000 2.396 119 I HA -0.003 4.167 4.170 -0.000 0.000 0.289 119 I C 1.920 177.904 176.117 -0.221 0.000 1.056 119 I CA 0.300 61.456 61.300 -0.240 0.000 1.365 119 I CB 0.088 37.962 38.000 -0.210 0.000 1.407 119 I HN 0.419 nan 8.210 nan 0.000 0.509 120 D N 5.146 125.457 120.400 -0.149 0.000 2.154 120 D HA -0.326 4.314 4.640 -0.000 0.000 0.190 120 D C 1.247 177.475 176.300 -0.120 0.000 1.003 120 D CA 2.180 56.108 54.000 -0.120 0.000 0.849 120 D CB -0.492 40.261 40.800 -0.079 0.000 0.942 120 D HN 0.695 nan 8.370 nan 0.000 0.446 121 D N 0.299 120.632 120.400 -0.112 0.000 2.264 121 D HA -0.135 4.505 4.640 -0.000 0.000 0.208 121 D C 1.639 177.871 176.300 -0.113 0.000 0.966 121 D CA 1.737 55.679 54.000 -0.096 0.000 0.864 121 D CB -0.986 39.767 40.800 -0.078 0.000 0.933 121 D HN 0.457 nan 8.370 nan 0.000 0.499 122 T N -2.201 112.257 114.554 -0.160 0.000 3.278 122 T HA 0.291 4.641 4.350 -0.000 0.000 0.251 122 T C 0.947 175.508 174.700 -0.231 0.000 1.039 122 T CA -0.371 61.614 62.100 -0.192 0.000 0.935 122 T CB 0.225 68.946 68.868 -0.245 0.000 1.034 122 T HN 0.009 nan 8.240 nan 0.000 0.575 123 V N 0.180 119.983 119.914 -0.185 0.000 3.440 123 V HA 0.300 4.420 4.120 -0.000 0.000 0.301 123 V C -0.266 175.773 176.094 -0.091 0.000 1.555 123 V CA -0.484 61.711 62.300 -0.175 0.000 1.095 123 V CB 0.495 32.175 31.823 -0.238 0.000 0.936 123 V HN 0.491 nan 8.190 nan 0.000 0.452 124 E N 1.293 121.450 120.200 -0.072 0.000 2.324 124 E HA 0.494 4.844 4.350 -0.000 0.000 0.271 124 E C 0.527 177.114 176.600 -0.022 0.000 1.028 124 E CA 0.910 57.285 56.400 -0.042 0.000 0.890 124 E CB 0.784 30.461 29.700 -0.039 0.000 1.004 124 E HN 0.559 nan 8.360 nan 0.000 0.431 125 G N 3.265 112.059 108.800 -0.009 0.000 3.172 125 G HA2 -0.142 3.818 3.960 -0.000 0.000 0.686 125 G HA3 -0.142 3.818 3.960 -0.000 0.000 0.686 125 G C -0.245 174.668 174.900 0.023 0.000 1.009 125 G CA -0.723 44.380 45.100 0.006 0.000 0.787 125 G HN 0.778 nan 8.290 nan 0.000 0.559 126 I N 0.886 121.474 120.570 0.030 0.000 7.699 126 I HA -0.263 3.907 4.170 -0.000 0.000 0.126 126 I C 1.530 177.689 176.117 0.069 0.000 1.644 126 I CA 2.129 63.457 61.300 0.047 0.000 2.307 126 I CB -0.367 37.663 38.000 0.049 0.000 3.328 126 I HN 1.113 nan 8.210 nan 0.000 0.244 127 T N 5.280 119.873 114.554 0.066 0.000 2.809 127 T HA 0.184 4.534 4.350 -0.000 0.000 0.260 127 T C 1.729 176.499 174.700 0.117 0.000 1.039 127 T CA 1.229 63.382 62.100 0.088 0.000 1.141 127 T CB -0.572 68.338 68.868 0.069 0.000 0.869 127 T HN 1.417 nan 8.240 nan 0.000 0.437 128 G N 2.482 111.333 108.800 0.085 0.000 3.773 128 G HA2 -0.361 3.599 3.960 -0.000 0.000 0.355 128 G HA3 -0.361 3.599 3.960 -0.000 0.000 0.355 128 G C 0.271 175.224 174.900 0.088 0.000 1.323 128 G CA 0.842 45.987 45.100 0.075 0.000 1.103 128 G HN 0.732 nan 8.290 nan 0.000 0.716 129 N N -0.190 118.581 118.700 0.118 0.000 2.578 129 N HA 0.335 5.075 4.740 -0.000 0.000 0.282 129 N C 0.985 176.629 175.510 0.224 0.000 1.119 129 N CA -0.181 52.961 53.050 0.153 0.000 0.948 129 N CB 1.396 39.965 38.487 0.137 0.000 1.546 129 N HN 0.259 nan 8.380 nan 0.000 0.525 130 L N 2.405 123.795 121.223 0.279 0.000 2.093 130 L HA -0.046 4.294 4.340 -0.000 0.000 0.208 130 L C 2.047 179.145 176.870 0.380 0.000 1.085 130 L CA 1.338 56.419 54.840 0.401 0.000 0.755 130 L CB -0.297 41.974 42.059 0.353 0.000 0.904 130 L HN 0.554 nan 8.230 nan 0.000 0.435 131 F N 0.738 120.778 119.950 0.151 0.000 2.163 131 F HA -0.205 4.321 4.527 -0.000 0.000 0.297 131 F C 2.492 178.348 175.800 0.094 0.000 1.094 131 F CA 1.565 59.621 58.000 0.094 0.000 1.290 131 F CB 0.152 39.175 39.000 0.038 0.000 1.017 131 F HN -0.025 nan 8.300 nan 0.000 0.483 132 E N 0.131 120.329 120.200 -0.003 0.000 2.046 132 E HA -0.122 4.228 4.350 -0.000 0.000 0.190 132 E C 2.113 178.622 176.600 -0.152 0.000 0.982 132 E CA 1.702 58.026 56.400 -0.127 0.000 0.800 132 E CB -0.453 29.261 29.700 0.023 0.000 0.756 132 E HN 0.272 nan 8.360 nan 0.000 0.449 133 V N -0.313 119.547 119.914 -0.091 0.000 2.379 133 V HA -0.188 3.932 4.120 -0.000 0.000 0.245 133 V C 1.557 177.442 176.094 -0.349 0.000 1.044 133 V CA 1.834 63.975 62.300 -0.266 0.000 1.036 133 V CB -0.431 31.153 31.823 -0.399 0.000 0.664 133 V HN 0.303 nan 8.190 nan 0.000 0.453 134 Y N -1.198 119.097 120.300 -0.009 0.000 2.447 134 Y HA 0.254 4.804 4.550 -0.000 0.000 0.286 134 Y C 2.024 177.887 175.900 -0.062 0.000 1.153 134 Y CA 0.366 58.472 58.100 0.011 0.000 1.241 134 Y CB -0.248 38.300 38.460 0.147 0.000 1.284 134 Y HN -0.009 nan 8.280 nan 0.000 0.520 135 L N 0.147 121.403 121.223 0.055 0.000 2.068 135 L HA -0.104 4.236 4.340 -0.000 0.000 0.204 135 L C 2.400 179.312 176.870 0.069 0.000 1.076 135 L CA 1.292 56.174 54.840 0.071 0.000 0.753 135 L CB -0.417 41.726 42.059 0.140 0.000 0.910 135 L HN 0.091 nan 8.230 nan 0.000 0.439 136 K N 0.292 120.447 120.400 -0.408 0.000 2.032 136 K HA -0.168 4.152 4.320 -0.000 0.000 0.209 136 K C -0.529 175.999 176.600 -0.120 0.000 1.048 136 K CA 1.727 57.751 56.287 -0.437 0.000 0.927 136 K CB -0.825 31.164 32.500 -0.851 0.000 0.712 136 K HN 0.217 nan 8.250 nan 0.000 0.441 137 P HA -0.162 nan 4.420 nan 0.000 0.223 137 P C 1.030 178.330 177.300 0.001 0.000 1.151 137 P CA 1.078 64.150 63.100 -0.046 0.000 0.787 137 P CB -0.119 31.549 31.700 -0.052 0.000 0.788 138 Y N -0.501 119.717 120.300 -0.136 0.000 2.314 138 Y HA -0.056 4.494 4.550 -0.000 0.000 0.293 138 Y C 1.712 177.399 175.900 -0.355 0.000 1.129 138 Y CA 1.479 59.421 58.100 -0.264 0.000 1.201 138 Y CB -0.448 37.794 38.460 -0.363 0.000 0.999 138 Y HN -0.251 nan 8.280 nan 0.000 0.541 139 F N -1.135 118.765 119.950 -0.083 0.000 2.559 139 F HA 0.171 4.698 4.527 -0.000 0.000 0.286 139 F C 0.478 176.173 175.800 -0.175 0.000 1.108 139 F CA -0.333 57.565 58.000 -0.169 0.000 1.436 139 F CB -0.418 38.549 39.000 -0.055 0.000 1.130 139 F HN -0.212 nan 8.300 nan 0.000 0.584 140 L N 2.146 123.397 121.223 0.047 0.000 2.628 140 L HA -0.061 4.279 4.340 -0.000 0.000 0.274 140 L C 0.954 177.778 176.870 -0.076 0.000 1.209 140 L CA 0.201 55.023 54.840 -0.030 0.000 0.930 140 L CB -0.201 41.839 42.059 -0.033 0.000 1.183 140 L HN 0.312 nan 8.230 nan 0.000 0.492 141 E N 1.909 122.019 120.200 -0.149 0.000 3.253 141 E HA -0.341 4.009 4.350 -0.000 0.000 0.284 141 E C 1.021 177.587 176.600 -0.058 0.000 0.958 141 E CA 1.130 57.440 56.400 -0.149 0.000 0.917 141 E CB -1.670 28.017 29.700 -0.022 0.000 1.466 141 E HN 0.827 nan 8.360 nan 0.000 0.455 142 A N -0.554 122.211 122.820 -0.091 0.000 2.147 142 A HA 0.114 4.434 4.320 -0.000 0.000 0.211 142 A C 0.477 178.126 177.584 0.107 0.000 1.160 142 A CA 0.550 52.579 52.037 -0.014 0.000 0.781 142 A CB -0.253 18.666 19.000 -0.134 0.000 0.842 142 A HN 0.303 nan 8.150 nan 0.000 0.475 143 Y N 0.055 120.386 120.300 0.051 0.000 3.001 143 Y HA -0.240 4.310 4.550 -0.000 0.000 0.207 143 Y C 0.584 176.505 175.900 0.036 0.000 1.231 143 Y CA 0.494 58.639 58.100 0.074 0.000 1.024 143 Y CB -1.805 36.710 38.460 0.092 0.000 1.267 143 Y HN 0.380 nan 8.280 nan 0.000 0.501 144 R N 1.495 122.077 120.500 0.136 0.000 2.442 144 R HA 0.206 4.546 4.340 -0.000 0.000 0.291 144 R C -2.334 174.022 176.300 0.093 0.000 1.069 144 R CA -1.567 54.578 56.100 0.075 0.000 1.022 144 R CB 0.336 30.655 30.300 0.030 0.000 0.976 144 R HN 0.006 nan 8.270 nan 0.000 0.443 145 P HA 0.171 nan 4.420 nan 0.000 0.287 145 P C -0.676 176.655 177.300 0.052 0.000 1.281 145 P CA -0.212 62.911 63.100 0.038 0.000 0.781 145 P CB 0.576 32.271 31.700 -0.008 0.000 0.903 146 I N -0.358 120.265 120.570 0.087 0.000 2.647 146 I HA 0.673 4.843 4.170 -0.000 0.000 0.295 146 I C -0.558 175.648 176.117 0.149 0.000 1.078 146 I CA -1.348 60.015 61.300 0.105 0.000 1.048 146 I CB 3.038 41.110 38.000 0.121 0.000 1.239 146 I HN 0.075 nan 8.210 nan 0.000 0.421 147 R N 3.409 124.003 120.500 0.157 0.000 2.532 147 R HA 0.376 4.716 4.340 -0.000 0.000 0.295 147 R C -0.446 175.962 176.300 0.179 0.000 0.968 147 R CA -0.992 55.225 56.100 0.196 0.000 0.916 147 R CB 1.739 32.144 30.300 0.175 0.000 1.124 147 R HN 0.775 nan 8.270 nan 0.000 0.463 148 K N 1.368 121.866 120.400 0.162 0.000 2.491 148 K HA -0.084 4.236 4.320 -0.000 0.000 0.279 148 K C 0.463 177.139 176.600 0.127 0.000 1.026 148 K CA 1.669 58.036 56.287 0.133 0.000 1.070 148 K CB 0.118 32.674 32.500 0.093 0.000 0.887 148 K HN 0.863 nan 8.250 nan 0.000 0.481 149 G N 3.156 112.034 108.800 0.130 0.000 2.175 149 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.244 149 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.244 149 G C -0.375 174.602 174.900 0.129 0.000 0.982 149 G CA 0.078 45.243 45.100 0.109 0.000 0.641 149 G HN 0.722 nan 8.290 nan 0.000 0.527 150 D N 0.449 120.960 120.400 0.184 0.000 2.424 150 D HA 0.464 5.103 4.640 -0.000 0.000 0.244 150 D C 0.584 177.045 176.300 0.269 0.000 1.134 150 D CA 0.352 54.490 54.000 0.230 0.000 0.881 150 D CB 0.815 41.788 40.800 0.289 0.000 1.191 150 D HN 0.279 nan 8.370 nan 0.000 0.445 151 I N 3.681 124.373 120.570 0.204 0.000 2.362 151 I HA 0.328 4.497 4.170 -0.000 0.000 0.289 151 I C -0.350 175.884 176.117 0.196 0.000 0.994 151 I CA -0.836 60.537 61.300 0.121 0.000 1.158 151 I CB 0.558 38.578 38.000 0.032 0.000 1.315 151 I HN 0.131 nan 8.210 nan 0.000 0.451 152 F N 5.565 125.561 119.950 0.077 0.000 2.576 152 F HA 0.822 5.349 4.527 -0.000 0.000 0.313 152 F C -1.354 174.448 175.800 0.002 0.000 1.078 152 F CA -1.454 56.570 58.000 0.039 0.000 0.921 152 F CB 1.201 40.228 39.000 0.046 0.000 1.232 152 F HN 0.278 nan 8.300 nan 0.000 0.459 153 L N 3.762 125.038 121.223 0.089 0.000 2.295 153 L HA 0.823 5.163 4.340 -0.000 0.000 0.285 153 L C -1.326 175.544 176.870 0.000 0.000 1.035 153 L CA -0.557 54.277 54.840 -0.010 0.000 0.806 153 L CB 1.560 43.622 42.059 0.005 0.000 1.214 153 L HN 0.666 nan 8.230 nan 0.000 0.426 154 V N 5.318 125.227 119.914 -0.009 0.000 2.531 154 V HA 0.522 4.642 4.120 -0.000 0.000 0.301 154 V C -0.018 176.173 176.094 0.162 0.000 1.034 154 V CA -0.739 61.572 62.300 0.018 0.000 0.865 154 V CB 1.735 33.528 31.823 -0.050 0.000 0.995 154 V HN 0.706 nan 8.190 nan 0.000 0.424 155 R N 2.014 122.610 120.500 0.161 0.000 2.490 155 R HA 0.645 4.985 4.340 -0.000 0.000 0.278 155 R C 0.531 176.947 176.300 0.193 0.000 1.069 155 R CA 0.070 56.278 56.100 0.180 0.000 1.080 155 R CB 1.387 31.749 30.300 0.102 0.000 1.030 155 R HN 0.956 nan 8.270 nan 0.000 0.491 156 G N 1.139 110.027 108.800 0.146 0.000 4.142 156 G HA2 0.418 4.378 3.960 -0.000 0.000 0.310 156 G HA3 0.418 4.378 3.960 -0.000 0.000 0.310 156 G C 0.509 175.321 174.900 -0.148 0.000 1.384 156 G CA 0.075 45.063 45.100 -0.186 0.000 0.838 156 G HN 0.884 nan 8.290 nan 0.000 0.512 157 G N 2.666 111.429 108.800 -0.062 0.000 3.581 157 G HA2 -0.476 3.484 3.960 -0.000 0.000 0.336 157 G HA3 -0.476 3.484 3.960 -0.000 0.000 0.336 157 G C 1.921 176.821 174.900 -0.000 0.000 1.259 157 G CA 2.140 47.218 45.100 -0.036 0.000 1.001 157 G HN 1.317 nan 8.290 nan 0.000 0.662 158 M N 0.771 120.372 119.600 0.001 0.000 2.110 158 M HA 0.012 4.491 4.480 -0.000 0.000 0.257 158 M C 1.521 177.852 176.300 0.052 0.000 1.071 158 M CA 2.849 58.166 55.300 0.028 0.000 1.096 158 M CB -0.649 31.972 32.600 0.034 0.000 1.300 158 M HN 0.935 nan 8.290 nan 0.000 0.411 159 R N 0.328 120.888 120.500 0.100 0.000 2.844 159 R HA 0.811 5.151 4.340 -0.000 0.000 0.264 159 R C -1.960 174.428 176.300 0.147 0.000 1.077 159 R CA -0.588 55.568 56.100 0.094 0.000 0.953 159 R CB 1.166 31.501 30.300 0.058 0.000 1.272 159 R HN 0.152 nan 8.270 nan 0.000 0.447 160 A N 0.958 123.815 122.820 0.061 0.000 2.318 160 A HA 0.638 4.958 4.320 -0.000 0.000 0.324 160 A C -0.869 176.650 177.584 -0.107 0.000 1.170 160 A CA -0.744 51.309 52.037 0.026 0.000 0.810 160 A CB 1.684 20.689 19.000 0.009 0.000 1.198 160 A HN 0.352 nan 8.150 nan 0.000 0.484 161 V N 2.538 122.318 119.914 -0.222 0.000 2.495 161 V HA 0.330 4.450 4.120 -0.000 0.000 0.298 161 V C -0.027 175.760 176.094 -0.513 0.000 1.031 161 V CA -0.596 61.403 62.300 -0.502 0.000 0.871 161 V CB 1.588 32.853 31.823 -0.930 0.000 0.988 161 V HN 0.987 nan 8.190 nan 0.000 0.432 162 E N 3.346 123.222 120.200 -0.540 0.000 2.259 162 E HA 0.536 4.886 4.350 -0.000 0.000 0.281 162 E C -1.456 174.697 176.600 -0.745 0.000 1.027 162 E CA -0.121 55.993 56.400 -0.477 0.000 0.838 162 E CB 1.254 30.780 29.700 -0.290 0.000 1.066 162 E HN 0.510 nan 8.360 nan 0.000 0.401 163 F N 1.678 121.238 119.950 -0.650 0.000 2.546 163 F HA 0.376 4.903 4.527 -0.000 0.000 0.320 163 F C 0.260 175.743 175.800 -0.528 0.000 1.076 163 F CA -0.932 56.672 58.000 -0.661 0.000 0.928 163 F CB 1.675 40.082 39.000 -0.988 0.000 1.189 163 F HN 0.157 nan 8.300 nan 0.000 0.465 164 K N 1.716 122.111 120.400 -0.009 0.000 2.182 164 K HA 0.619 4.938 4.320 -0.000 0.000 0.262 164 K C -1.366 175.375 176.600 0.236 0.000 0.957 164 K CA -0.625 55.718 56.287 0.093 0.000 0.842 164 K CB 1.538 34.075 32.500 0.063 0.000 1.099 164 K HN 0.493 nan 8.250 nan 0.000 0.438 165 V N 5.774 125.879 119.914 0.318 0.000 2.387 165 V HA 0.001 4.121 4.120 -0.000 0.000 0.260 165 V C 1.081 177.301 176.094 0.210 0.000 1.054 165 V CA -0.191 62.301 62.300 0.320 0.000 0.967 165 V CB 0.765 32.783 31.823 0.326 0.000 1.036 165 V HN 0.715 nan 8.190 nan 0.000 0.481 166 V N 3.227 123.264 119.914 0.206 0.000 2.535 166 V HA 0.101 4.221 4.120 -0.000 0.000 0.246 166 V C 0.777 176.918 176.094 0.078 0.000 1.045 166 V CA 1.045 63.416 62.300 0.119 0.000 1.058 166 V CB -0.027 31.848 31.823 0.087 0.000 0.689 166 V HN 0.852 nan 8.190 nan 0.000 0.461 167 E N -1.113 119.160 120.200 0.122 0.000 2.383 167 E HA 0.582 4.931 4.350 -0.000 0.000 0.275 167 E C -1.192 175.472 176.600 0.106 0.000 0.918 167 E CA -0.294 56.155 56.400 0.082 0.000 0.764 167 E CB 2.388 32.106 29.700 0.030 0.000 1.252 167 E HN 0.179 nan 8.360 nan 0.000 0.449 168 T N 2.487 117.081 114.554 0.067 0.000 2.952 168 T HA 0.205 4.555 4.350 -0.000 0.000 0.305 168 T C -0.255 174.463 174.700 0.030 0.000 1.064 168 T CA -0.634 61.501 62.100 0.057 0.000 1.008 168 T CB 1.520 70.420 68.868 0.053 0.000 1.078 168 T HN 0.484 nan 8.240 nan 0.000 0.459 169 D N 1.420 121.840 120.400 0.033 0.000 2.213 169 D HA 0.106 4.745 4.640 -0.000 0.000 0.205 169 D C -1.635 174.668 176.300 0.005 0.000 0.961 169 D CA 0.148 54.160 54.000 0.021 0.000 0.853 169 D CB -0.295 40.525 40.800 0.033 0.000 0.967 169 D HN 0.336 nan 8.370 nan 0.000 0.496 170 P HA 0.182 nan 4.420 nan 0.000 0.281 170 P C 0.529 177.787 177.300 -0.069 0.000 1.252 170 P CA -0.111 62.974 63.100 -0.025 0.000 0.778 170 P CB 1.714 33.409 31.700 -0.009 0.000 0.895 171 S N 4.659 120.298 115.700 -0.102 0.000 2.380 171 S HA -0.207 4.263 4.470 -0.000 0.000 0.290 171 S C -0.544 173.971 174.600 -0.140 0.000 1.080 171 S CA 2.278 60.404 58.200 -0.123 0.000 1.468 171 S CB -1.815 61.307 63.200 -0.130 0.000 1.303 171 S HN 0.619 nan 8.310 nan 0.000 0.457 172 P HA 0.239 nan 4.420 nan 0.000 0.225 172 P C -0.388 176.865 177.300 -0.078 0.000 1.142 172 P CA 0.585 63.572 63.100 -0.188 0.000 0.894 172 P CB 0.161 31.720 31.700 -0.236 0.000 0.895 173 Y N -0.421 119.893 120.300 0.023 0.000 2.576 173 Y HA 0.703 5.253 4.550 -0.000 0.000 0.346 173 Y C -0.281 175.624 175.900 0.009 0.000 1.018 173 Y CA -2.033 56.079 58.100 0.021 0.000 1.050 173 Y CB 0.650 39.120 38.460 0.017 0.000 1.280 173 Y HN 0.126 nan 8.280 nan 0.000 0.474 174 C N 0.386 119.809 119.300 0.205 0.000 3.318 174 C HA 0.814 5.274 4.460 -0.000 0.000 0.322 174 C C -0.956 174.081 174.990 0.077 0.000 1.398 174 C CA -1.256 57.828 59.018 0.109 0.000 1.339 174 C CB 0.833 28.610 27.740 0.063 0.000 1.668 174 C HN 0.967 nan 8.230 nan 0.000 0.462 175 I N 1.884 122.465 120.570 0.019 0.000 2.396 175 I HA 0.380 4.550 4.170 -0.000 0.000 0.292 175 I C -0.021 176.151 176.117 0.093 0.000 0.999 175 I CA -0.409 60.909 61.300 0.031 0.000 1.310 175 I CB 1.649 39.589 38.000 -0.099 0.000 1.404 175 I HN 0.555 nan 8.210 nan 0.000 0.496 176 V N 6.910 126.871 119.914 0.078 0.000 2.313 176 V HA 0.349 4.468 4.120 -0.000 0.000 0.252 176 V C 0.755 176.840 176.094 -0.015 0.000 1.112 176 V CA -0.355 61.931 62.300 -0.024 0.000 0.984 176 V CB 0.029 31.721 31.823 -0.220 0.000 1.157 176 V HN 0.835 nan 8.190 nan 0.000 0.493 177 A N 7.384 130.233 122.820 0.048 0.000 2.257 177 A HA 0.704 5.024 4.320 -0.000 0.000 0.289 177 A C -0.820 176.665 177.584 -0.164 0.000 1.095 177 A CA -1.485 50.501 52.037 -0.084 0.000 0.836 177 A CB 0.260 19.391 19.000 0.219 0.000 1.111 177 A HN 0.556 nan 8.150 nan 0.000 0.497 178 P HA -0.202 nan 4.420 nan 0.000 0.217 178 P C 0.299 177.558 177.300 -0.068 0.000 1.148 178 P CA 1.921 64.948 63.100 -0.121 0.000 0.834 178 P CB -0.082 31.553 31.700 -0.107 0.000 0.783 179 D N -1.173 119.193 120.400 -0.055 0.000 2.149 179 D HA -0.088 4.552 4.640 -0.000 0.000 0.198 179 D C 0.336 176.612 176.300 -0.041 0.000 0.990 179 D CA 1.019 54.996 54.000 -0.038 0.000 0.839 179 D CB -0.909 39.876 40.800 -0.025 0.000 0.948 179 D HN 0.176 nan 8.370 nan 0.000 0.460 180 T N 1.518 116.044 114.554 -0.047 0.000 2.761 180 T HA 0.194 4.544 4.350 -0.000 0.000 0.287 180 T C 0.228 174.857 174.700 -0.119 0.000 0.931 180 T CA -0.386 61.674 62.100 -0.067 0.000 1.164 180 T CB 0.848 69.665 68.868 -0.086 0.000 0.876 180 T HN -0.182 nan 8.240 nan 0.000 0.534 181 V N 5.842 125.679 119.914 -0.128 0.000 2.479 181 V HA 0.178 4.298 4.120 -0.000 0.000 0.281 181 V C 0.538 176.441 176.094 -0.318 0.000 1.031 181 V CA -0.308 61.844 62.300 -0.246 0.000 1.038 181 V CB -0.183 31.501 31.823 -0.232 0.000 0.981 181 V HN 0.747 nan 8.190 nan 0.000 0.478 182 I N 5.683 126.005 120.570 -0.413 0.000 2.306 182 I HA 0.325 4.495 4.170 -0.000 0.000 0.288 182 I C 0.223 176.056 176.117 -0.474 0.000 1.036 182 I CA -0.166 60.935 61.300 -0.332 0.000 1.221 182 I CB 0.279 38.209 38.000 -0.116 0.000 1.385 182 I HN 0.585 nan 8.210 nan 0.000 0.472 183 H N 5.469 124.414 119.070 -0.208 0.000 2.473 183 H HA 0.331 4.887 4.556 -0.000 0.000 0.327 183 H C -0.270 174.850 175.328 -0.347 0.000 1.105 183 H CA -0.556 55.325 56.048 -0.277 0.000 1.280 183 H CB 1.823 31.427 29.762 -0.264 0.000 1.450 183 H HN 0.726 nan 8.280 nan 0.000 0.492 184 C N 1.834 121.040 119.300 -0.156 0.000 3.359 184 C HA 0.359 4.819 4.460 -0.000 0.000 0.194 184 C C 1.168 176.119 174.990 -0.064 0.000 1.659 184 C CA -0.834 58.112 59.018 -0.119 0.000 1.338 184 C CB -1.012 26.767 27.740 0.065 0.000 2.109 184 C HN 0.804 nan 8.230 nan 0.000 0.518 185 E N 2.316 122.428 120.200 -0.146 0.000 2.005 185 E HA 0.169 4.519 4.350 -0.000 0.000 0.191 185 E C 1.833 178.482 176.600 0.082 0.000 0.987 185 E CA 1.247 57.655 56.400 0.013 0.000 0.814 185 E CB -0.104 29.634 29.700 0.062 0.000 0.772 185 E HN 0.805 nan 8.360 nan 0.000 0.453 186 G N 0.840 109.739 108.800 0.166 0.000 2.466 186 G HA2 -0.065 3.895 3.960 -0.000 0.000 0.279 186 G HA3 -0.065 3.895 3.960 -0.000 0.000 0.279 186 G C -0.303 174.648 174.900 0.086 0.000 1.410 186 G CA -0.462 44.715 45.100 0.130 0.000 1.065 186 G HN 0.099 nan 8.290 nan 0.000 0.547 187 E N 0.582 120.818 120.200 0.061 0.000 2.390 187 E HA 0.206 4.556 4.350 -0.000 0.000 0.261 187 E C -2.166 174.451 176.600 0.027 0.000 1.076 187 E CA -1.187 55.233 56.400 0.034 0.000 0.905 187 E CB 0.527 30.238 29.700 0.018 0.000 0.984 187 E HN 0.128 nan 8.360 nan 0.000 0.427 188 P HA -0.020 nan 4.420 nan 0.000 0.267 188 P C -0.472 176.811 177.300 -0.029 0.000 1.205 188 P CA 0.026 63.109 63.100 -0.027 0.000 0.765 188 P CB 0.322 31.988 31.700 -0.056 0.000 0.828 189 I N 3.540 124.091 120.570 -0.032 0.000 2.683 189 I HA -0.050 4.120 4.170 -0.000 0.000 0.286 189 I C 1.160 177.246 176.117 -0.052 0.000 1.175 189 I CA 0.373 61.654 61.300 -0.032 0.000 1.429 189 I CB -0.271 37.716 38.000 -0.022 0.000 1.371 189 I HN 0.313 nan 8.210 nan 0.000 0.569 190 K N 5.896 126.272 120.400 -0.041 0.000 2.368 190 K HA 0.009 4.329 4.320 -0.000 0.000 0.282 190 K C 1.145 177.714 176.600 -0.052 0.000 1.035 190 K CA -0.231 56.029 56.287 -0.045 0.000 0.973 190 K CB 1.073 33.553 32.500 -0.035 0.000 0.957 190 K HN 0.374 nan 8.250 nan 0.000 0.474 191 R N 3.153 123.617 120.500 -0.059 0.000 2.096 191 R HA -0.220 4.120 4.340 -0.000 0.000 0.240 191 R C 1.140 177.411 176.300 -0.049 0.000 1.139 191 R CA 2.065 58.128 56.100 -0.061 0.000 0.952 191 R CB -0.018 30.245 30.300 -0.062 0.000 0.854 191 R HN 0.691 nan 8.270 nan 0.000 0.436 192 E N -0.205 119.970 120.200 -0.042 0.000 2.209 192 E HA -0.185 4.165 4.350 -0.000 0.000 0.196 192 E C 1.387 177.966 176.600 -0.036 0.000 0.993 192 E CA 1.349 57.727 56.400 -0.037 0.000 0.819 192 E CB -0.094 29.587 29.700 -0.032 0.000 0.745 192 E HN 0.491 nan 8.360 nan 0.000 0.477 193 D N 0.660 121.039 120.400 -0.036 0.000 2.097 193 D HA -0.132 4.508 4.640 -0.000 0.000 0.197 193 D C 1.794 178.073 176.300 -0.035 0.000 0.984 193 D CA 0.896 54.875 54.000 -0.034 0.000 0.826 193 D CB -0.069 40.712 40.800 -0.030 0.000 0.973 193 D HN 0.058 nan 8.370 nan 0.000 0.460 194 E N 0.441 120.619 120.200 -0.037 0.000 2.216 194 E HA -0.067 4.283 4.350 -0.000 0.000 0.192 194 E C 1.825 178.403 176.600 -0.037 0.000 0.988 194 E CA 0.456 56.835 56.400 -0.035 0.000 0.834 194 E CB 0.106 29.783 29.700 -0.039 0.000 0.772 194 E HN 0.361 nan 8.360 nan 0.000 0.479 195 E N 0.579 120.756 120.200 -0.039 0.000 2.158 195 E HA -0.119 4.231 4.350 -0.000 0.000 0.191 195 E C 1.654 178.231 176.600 -0.040 0.000 0.982 195 E CA 0.435 56.812 56.400 -0.038 0.000 0.823 195 E CB 0.005 29.683 29.700 -0.037 0.000 0.766 195 E HN 0.367 nan 8.360 nan 0.000 0.468 196 E N 0.294 120.470 120.200 -0.040 0.000 2.427 196 E HA -0.023 4.327 4.350 -0.000 0.000 0.196 196 E C 1.810 178.379 176.600 -0.050 0.000 1.028 196 E CA 0.179 56.552 56.400 -0.045 0.000 0.864 196 E CB 0.223 29.898 29.700 -0.042 0.000 0.813 196 E HN -0.042 nan 8.360 nan 0.000 0.514 197 S N -0.401 115.272 115.700 -0.046 0.000 2.421 197 S HA 0.056 4.525 4.470 -0.000 0.000 0.224 197 S C 1.739 176.311 174.600 -0.048 0.000 1.035 197 S CA 0.083 58.255 58.200 -0.047 0.000 0.953 197 S CB 0.101 63.279 63.200 -0.035 0.000 0.810 197 S HN 0.224 nan 8.310 nan 0.000 0.497 198 L N 1.969 123.167 121.223 -0.042 0.000 2.083 198 L HA -0.083 4.257 4.340 -0.000 0.000 0.209 198 L C 2.168 179.007 176.870 -0.052 0.000 1.083 198 L CA 0.976 55.791 54.840 -0.041 0.000 0.752 198 L CB -0.539 41.499 42.059 -0.034 0.000 0.899 198 L HN 0.254 nan 8.230 nan 0.000 0.433 199 N N 0.241 118.908 118.700 -0.055 0.000 2.184 199 N HA -0.175 4.565 4.740 -0.000 0.000 0.190 199 N C 0.287 175.750 175.510 -0.079 0.000 1.011 199 N CA 0.676 53.688 53.050 -0.064 0.000 0.867 199 N CB -0.278 38.174 38.487 -0.059 0.000 0.993 199 N HN 0.359 nan 8.380 nan 0.000 0.433 200 E N 0.461 120.610 120.200 -0.085 0.000 2.708 200 E HA -0.075 4.275 4.350 -0.000 0.000 0.260 200 E C -0.283 176.242 176.600 -0.125 0.000 0.937 200 E CA 0.150 56.484 56.400 -0.110 0.000 0.953 200 E CB 0.828 30.460 29.700 -0.113 0.000 0.915 200 E HN -0.052 nan 8.360 nan 0.000 0.487 201 V N 3.027 122.850 119.914 -0.150 0.000 2.555 201 V HA 0.314 4.434 4.120 -0.000 0.000 0.286 201 V C 0.886 176.856 176.094 -0.206 0.000 1.044 201 V CA 0.157 62.362 62.300 -0.159 0.000 1.026 201 V CB 1.204 32.932 31.823 -0.159 0.000 0.981 201 V HN 0.763 nan 8.190 nan 0.000 0.480 202 G N 2.035 110.726 108.800 -0.181 0.000 2.714 202 G HA2 0.462 4.422 3.960 -0.000 0.000 0.292 202 G HA3 0.462 4.422 3.960 -0.000 0.000 0.292 202 G C -0.082 174.720 174.900 -0.162 0.000 1.308 202 G CA -0.571 44.384 45.100 -0.241 0.000 0.964 202 G HN 0.614 nan 8.290 nan 0.000 0.484 203 Y N -0.561 119.717 120.300 -0.037 0.000 2.384 203 Y HA -0.147 4.403 4.550 -0.000 0.000 0.289 203 Y C 2.249 178.138 175.900 -0.018 0.000 1.152 203 Y CA 1.011 59.099 58.100 -0.021 0.000 1.258 203 Y CB 0.284 38.739 38.460 -0.009 0.000 0.979 203 Y HN 0.324 nan 8.280 nan 0.000 0.549 204 D N -0.302 120.163 120.400 0.108 0.000 2.310 204 D HA -0.127 4.513 4.640 -0.000 0.000 0.212 204 D C 1.119 177.434 176.300 0.025 0.000 0.965 204 D CA 1.054 55.087 54.000 0.055 0.000 0.879 204 D CB -0.253 40.564 40.800 0.028 0.000 0.921 204 D HN 0.449 nan 8.370 nan 0.000 0.510 205 D N -0.082 120.321 120.400 0.006 0.000 2.339 205 D HA 0.038 4.678 4.640 -0.000 0.000 0.217 205 D C 0.530 176.837 176.300 0.011 0.000 1.050 205 D CA -0.065 53.922 54.000 -0.021 0.000 0.856 205 D CB 0.910 41.673 40.800 -0.062 0.000 0.922 205 D HN 0.244 nan 8.370 nan 0.000 0.518 206 I N 0.519 121.118 120.570 0.049 0.000 2.355 206 I HA 0.441 4.611 4.170 -0.000 0.000 0.288 206 I C -0.037 176.119 176.117 0.065 0.000 0.999 206 I CA -0.381 60.960 61.300 0.068 0.000 1.163 206 I CB 1.516 39.570 38.000 0.091 0.000 1.316 206 I HN -0.196 nan 8.210 nan 0.000 0.454 207 G N 4.151 112.988 108.800 0.062 0.000 2.410 207 G HA2 0.495 4.455 3.960 -0.000 0.000 0.330 207 G HA3 0.495 4.455 3.960 -0.000 0.000 0.330 207 G C 0.502 175.425 174.900 0.039 0.000 1.142 207 G CA -0.510 44.620 45.100 0.050 0.000 0.902 207 G HN 1.476 nan 8.290 nan 0.000 0.491 208 G N -1.238 107.577 108.800 0.026 0.000 2.356 208 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.296 208 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.296 208 G C 0.529 175.437 174.900 0.014 0.000 1.022 208 G CA 0.531 45.641 45.100 0.017 0.000 0.961 208 G HN 1.064 nan 8.290 nan 0.000 0.510 209 C N -0.766 118.542 119.300 0.014 0.000 3.359 209 C HA 0.317 4.777 4.460 -0.000 0.000 0.258 209 C C 2.198 177.187 174.990 -0.003 0.000 1.840 209 C CA -0.373 58.651 59.018 0.009 0.000 1.746 209 C CB -0.497 27.257 27.740 0.023 0.000 3.306 209 C HN 0.703 nan 8.230 nan 0.000 0.485 210 R N 1.444 121.940 120.500 -0.007 0.000 2.094 210 R HA -0.189 4.151 4.340 -0.000 0.000 0.239 210 R C 2.216 178.502 176.300 -0.024 0.000 1.137 210 R CA 1.530 57.618 56.100 -0.020 0.000 0.943 210 R CB -0.109 30.182 30.300 -0.014 0.000 0.850 210 R HN 0.485 nan 8.270 nan 0.000 0.433 211 K N 0.625 121.016 120.400 -0.014 0.000 2.063 211 K HA -0.242 4.078 4.320 -0.000 0.000 0.208 211 K C 2.061 178.655 176.600 -0.010 0.000 1.048 211 K CA 1.826 58.107 56.287 -0.010 0.000 0.928 211 K CB 0.105 32.602 32.500 -0.004 0.000 0.713 211 K HN 0.134 nan 8.250 nan 0.000 0.442 212 Q N 0.303 120.096 119.800 -0.011 0.000 2.137 212 Q HA -0.008 4.332 4.340 -0.000 0.000 0.198 212 Q C 2.016 178.013 176.000 -0.006 0.000 0.960 212 Q CA 0.860 56.660 55.803 -0.006 0.000 0.847 212 Q CB 0.042 28.776 28.738 -0.008 0.000 0.915 212 Q HN 0.260 nan 8.270 nan 0.000 0.448 213 L N -0.085 121.119 121.223 -0.031 0.000 2.141 213 L HA -0.140 4.200 4.340 -0.000 0.000 0.209 213 L C 2.289 179.094 176.870 -0.110 0.000 1.094 213 L CA 0.981 55.766 54.840 -0.092 0.000 0.763 213 L CB -0.548 41.414 42.059 -0.162 0.000 0.908 213 L HN 0.239 nan 8.230 nan 0.000 0.437 214 A N -0.510 122.269 122.820 -0.069 0.000 1.930 214 A HA -0.227 4.093 4.320 -0.000 0.000 0.217 214 A C 2.234 179.815 177.584 -0.006 0.000 1.175 214 A CA 1.376 53.387 52.037 -0.044 0.000 0.627 214 A CB -0.375 18.609 19.000 -0.027 0.000 0.815 214 A HN 0.460 nan 8.150 nan 0.000 0.443 215 Q N -0.648 119.157 119.800 0.008 0.000 2.084 215 Q HA -0.096 4.244 4.340 -0.000 0.000 0.202 215 Q C 2.008 178.038 176.000 0.050 0.000 0.978 215 Q CA 1.482 57.306 55.803 0.035 0.000 0.844 215 Q CB -0.300 28.460 28.738 0.037 0.000 0.898 215 Q HN 0.732 nan 8.270 nan 0.000 0.426 216 I N 0.797 121.394 120.570 0.045 0.000 2.226 216 I HA -0.279 3.891 4.170 -0.000 0.000 0.245 216 I C 2.157 178.319 176.117 0.075 0.000 1.100 216 I CA 1.214 62.559 61.300 0.077 0.000 1.374 216 I CB -0.118 37.947 38.000 0.108 0.000 1.057 216 I HN 0.102 nan 8.210 nan 0.000 0.413 217 K N 0.367 120.786 120.400 0.033 0.000 2.148 217 K HA -0.163 4.157 4.320 -0.000 0.000 0.204 217 K C 1.948 178.602 176.600 0.089 0.000 1.050 217 K CA 1.179 57.494 56.287 0.047 0.000 0.942 217 K CB -0.072 32.420 32.500 -0.014 0.000 0.724 217 K HN 0.400 nan 8.250 nan 0.000 0.446 218 E N 0.422 120.676 120.200 0.090 0.000 2.047 218 E HA -0.105 4.245 4.350 -0.000 0.000 0.191 218 E C 1.916 178.611 176.600 0.158 0.000 0.987 218 E CA 1.219 57.703 56.400 0.140 0.000 0.799 218 E CB 0.060 29.830 29.700 0.117 0.000 0.752 218 E HN 0.227 nan 8.360 nan 0.000 0.449 219 M N -0.341 119.318 119.600 0.098 0.000 2.476 219 M HA -0.044 4.436 4.480 -0.000 0.000 0.262 219 M C 1.702 178.007 176.300 0.009 0.000 1.111 219 M CA 0.595 55.924 55.300 0.049 0.000 1.127 219 M CB 0.742 33.372 32.600 0.050 0.000 1.376 219 M HN -0.008 nan 8.290 nan 0.000 0.465 220 V N -1.732 118.214 119.914 0.053 0.000 2.840 220 V HA 0.037 4.157 4.120 -0.000 0.000 0.234 220 V C 1.877 178.013 176.094 0.071 0.000 1.159 220 V CA 0.817 63.152 62.300 0.058 0.000 1.194 220 V CB -0.345 31.544 31.823 0.110 0.000 0.971 220 V HN 0.173 nan 8.190 nan 0.000 0.494 221 E N 0.696 120.959 120.200 0.105 0.000 2.046 221 E HA -0.143 4.207 4.350 -0.000 0.000 0.190 221 E C 1.944 178.616 176.600 0.120 0.000 0.982 221 E CA 1.091 57.560 56.400 0.115 0.000 0.800 221 E CB -0.356 29.424 29.700 0.132 0.000 0.756 221 E HN 0.316 nan 8.360 nan 0.000 0.449 222 L N 0.757 122.080 121.223 0.167 0.000 2.012 222 L HA -0.082 4.258 4.340 -0.000 0.000 0.210 222 L C -1.086 175.963 176.870 0.298 0.000 1.073 222 L CA 1.974 56.982 54.840 0.279 0.000 0.748 222 L CB -1.113 41.162 42.059 0.360 0.000 0.891 222 L HN 0.192 nan 8.230 nan 0.000 0.431 223 P HA -0.055 nan 4.420 nan 0.000 0.229 223 P C 1.909 179.200 177.300 -0.016 0.000 1.160 223 P CA 1.167 64.170 63.100 -0.162 0.000 0.777 223 P CB 0.095 31.413 31.700 -0.637 0.000 0.814 224 L N -1.177 120.052 121.223 0.010 0.000 2.202 224 L HA 0.067 4.407 4.340 -0.000 0.000 0.205 224 L C 2.630 179.482 176.870 -0.030 0.000 1.083 224 L CA 0.855 55.702 54.840 0.013 0.000 0.790 224 L CB -0.359 41.718 42.059 0.029 0.000 0.942 224 L HN -0.171 nan 8.230 nan 0.000 0.452 225 R N -0.843 119.624 120.500 -0.055 0.000 2.127 225 R HA 0.067 4.406 4.340 -0.000 0.000 0.217 225 R C 0.220 176.248 176.300 -0.454 0.000 1.074 225 R CA 0.756 56.711 56.100 -0.243 0.000 0.991 225 R CB 0.076 30.212 30.300 -0.272 0.000 0.895 225 R HN 0.381 nan 8.270 nan 0.000 0.450 226 H N 0.457 119.594 119.070 0.111 0.000 2.336 226 H HA 0.202 4.758 4.556 -0.000 0.000 0.230 226 H C -1.820 173.633 175.328 0.208 0.000 1.426 226 H CA -1.808 54.320 56.048 0.132 0.000 1.359 226 H CB 1.305 31.145 29.762 0.130 0.000 1.555 226 H HN 0.021 nan 8.280 nan 0.000 0.512 227 P HA -0.099 nan 4.420 nan 0.000 0.220 227 P C 1.546 179.009 177.300 0.272 0.000 1.148 227 P CA 0.847 64.094 63.100 0.245 0.000 0.803 227 P CB 0.349 32.157 31.700 0.180 0.000 0.782 228 A N 0.288 123.235 122.820 0.212 0.000 1.948 228 A HA -0.174 4.146 4.320 -0.000 0.000 0.220 228 A C 2.386 180.055 177.584 0.142 0.000 1.177 228 A CA 1.339 53.471 52.037 0.159 0.000 0.636 228 A CB -1.625 17.451 19.000 0.127 0.000 0.815 228 A HN 0.153 nan 8.150 nan 0.000 0.449 229 L N -2.106 119.212 121.223 0.158 0.000 1.994 229 L HA -0.181 4.159 4.340 -0.000 0.000 0.208 229 L C 2.501 179.348 176.870 -0.038 0.000 1.071 229 L CA 1.637 56.478 54.840 0.002 0.000 0.745 229 L CB -0.435 41.553 42.059 -0.118 0.000 0.892 229 L HN 0.457 nan 8.230 nan 0.000 0.431 230 F N -0.608 119.376 119.950 0.057 0.000 2.206 230 F HA -0.161 4.366 4.527 -0.000 0.000 0.298 230 F C 2.575 178.402 175.800 0.045 0.000 1.090 230 F CA 0.985 59.014 58.000 0.049 0.000 1.323 230 F CB -0.370 38.662 39.000 0.053 0.000 1.028 230 F HN -0.113 nan 8.300 nan 0.000 0.492 231 K N 0.733 121.282 120.400 0.247 0.000 2.097 231 K HA -0.051 4.269 4.320 -0.000 0.000 0.205 231 K C 2.193 178.850 176.600 0.095 0.000 1.050 231 K CA 1.216 57.593 56.287 0.150 0.000 0.938 231 K CB -0.610 31.970 32.500 0.134 0.000 0.718 231 K HN 0.241 nan 8.250 nan 0.000 0.442 232 A N 0.844 123.708 122.820 0.074 0.000 1.897 232 A HA -0.087 4.233 4.320 -0.000 0.000 0.215 232 A C 2.258 179.854 177.584 0.020 0.000 1.181 232 A CA 1.126 53.185 52.037 0.037 0.000 0.620 232 A CB -0.446 18.566 19.000 0.020 0.000 0.821 232 A HN 0.324 nan 8.150 nan 0.000 0.443 233 I N -1.271 119.301 120.570 0.005 0.000 2.546 233 I HA 0.049 4.219 4.170 -0.000 0.000 0.255 233 I C 1.303 177.433 176.117 0.022 0.000 1.163 233 I CA 1.272 62.566 61.300 -0.009 0.000 1.457 233 I CB 0.100 38.065 38.000 -0.059 0.000 1.092 233 I HN 0.498 nan 8.210 nan 0.000 0.434 234 G N 0.817 109.648 108.800 0.051 0.000 2.309 234 G HA2 -0.143 3.817 3.960 -0.000 0.000 0.183 234 G HA3 -0.143 3.817 3.960 -0.000 0.000 0.183 234 G C -0.440 174.509 174.900 0.082 0.000 1.063 234 G CA -0.063 45.073 45.100 0.061 0.000 0.768 234 G HN 0.208 nan 8.290 nan 0.000 0.490 235 V N -0.008 119.979 119.914 0.123 0.000 2.686 235 V HA 0.497 4.617 4.120 -0.000 0.000 0.306 235 V C 0.280 176.489 176.094 0.191 0.000 1.065 235 V CA -1.138 61.257 62.300 0.159 0.000 0.894 235 V CB 2.016 33.946 31.823 0.178 0.000 1.004 235 V HN 0.357 nan 8.190 nan 0.000 0.424 236 K N 5.992 126.470 120.400 0.130 0.000 2.322 236 K HA 0.389 4.709 4.320 -0.000 0.000 0.283 236 K C -2.366 174.242 176.600 0.013 0.000 1.042 236 K CA -1.241 55.084 56.287 0.062 0.000 0.958 236 K CB 0.813 33.333 32.500 0.032 0.000 0.984 236 K HN 0.418 nan 8.250 nan 0.000 0.473 237 P HA 0.173 nan 4.420 nan 0.000 0.276 237 P C -2.600 174.566 177.300 -0.223 0.000 1.230 237 P CA -1.425 61.484 63.100 -0.318 0.000 0.776 237 P CB 0.206 31.572 31.700 -0.558 0.000 0.888 238 P HA 0.101 nan 4.420 nan 0.000 0.268 238 P C 0.762 177.942 177.300 -0.200 0.000 1.205 238 P CA -0.002 62.984 63.100 -0.192 0.000 0.771 238 P CB 0.436 32.065 31.700 -0.118 0.000 0.858 239 R N 1.539 121.901 120.500 -0.229 0.000 2.476 239 R HA 0.350 4.690 4.340 -0.000 0.000 0.276 239 R C 0.144 176.292 176.300 -0.255 0.000 0.941 239 R CA -0.183 55.785 56.100 -0.220 0.000 1.088 239 R CB 0.358 30.527 30.300 -0.218 0.000 1.216 239 R HN 0.473 nan 8.270 nan 0.000 0.533 240 G N 1.683 110.329 108.800 -0.257 0.000 2.753 240 G HA2 0.548 4.508 3.960 -0.000 0.000 0.282 240 G HA3 0.548 4.508 3.960 -0.000 0.000 0.282 240 G C -1.521 173.400 174.900 0.034 0.000 1.512 240 G CA -0.473 44.436 45.100 -0.318 0.000 1.076 240 G HN 0.029 nan 8.290 nan 0.000 0.545 241 I N 2.018 122.699 120.570 0.184 0.000 2.378 241 I HA 0.481 4.651 4.170 -0.000 0.000 0.291 241 I C -0.481 175.770 176.117 0.222 0.000 0.992 241 I CA -0.941 60.468 61.300 0.181 0.000 1.154 241 I CB 2.054 40.113 38.000 0.098 0.000 1.315 241 I HN 0.380 nan 8.210 nan 0.000 0.448 242 L N 7.666 128.992 121.223 0.172 0.000 2.319 242 L HA 0.606 4.946 4.340 -0.000 0.000 0.281 242 L C -1.207 175.737 176.870 0.123 0.000 1.005 242 L CA -0.203 54.666 54.840 0.048 0.000 0.828 242 L CB 0.836 42.889 42.059 -0.011 0.000 1.227 242 L HN 0.401 nan 8.230 nan 0.000 0.415 243 L N 6.188 127.450 121.223 0.065 0.000 2.292 243 L HA 0.515 4.855 4.340 -0.000 0.000 0.284 243 L C -0.697 176.260 176.870 0.144 0.000 1.065 243 L CA -0.718 54.177 54.840 0.093 0.000 0.806 243 L CB 0.592 42.715 42.059 0.106 0.000 1.175 243 L HN 0.695 nan 8.230 nan 0.000 0.431 244 Y N 0.743 121.054 120.300 0.018 0.000 2.609 244 Y HA 0.979 5.529 4.550 -0.000 0.000 0.342 244 Y C -0.094 175.821 175.900 0.025 0.000 1.058 244 Y CA -0.833 57.273 58.100 0.010 0.000 1.055 244 Y CB 2.132 40.589 38.460 -0.005 0.000 1.292 244 Y HN 0.742 nan 8.280 nan 0.000 0.476 245 G N 0.506 109.383 108.800 0.129 0.000 2.337 245 G HA2 0.377 4.337 3.960 -0.000 0.000 0.298 245 G HA3 0.377 4.337 3.960 -0.000 0.000 0.298 245 G C -3.552 171.393 174.900 0.075 0.000 1.335 245 G CA -1.250 43.874 45.100 0.041 0.000 0.875 245 G HN 0.521 nan 8.290 nan 0.000 0.579 246 P HA 0.327 nan 4.420 nan 0.000 0.272 246 P C -2.464 174.856 177.300 0.034 0.000 1.240 246 P CA -0.904 62.221 63.100 0.042 0.000 0.791 246 P CB -0.004 31.714 31.700 0.029 0.000 0.978 247 P HA 0.049 nan 4.420 nan 0.000 0.262 247 P C 0.753 178.063 177.300 0.016 0.000 1.182 247 P CA 1.407 64.521 63.100 0.022 0.000 0.761 247 P CB -0.163 31.545 31.700 0.013 0.000 0.795 248 G N 2.340 111.153 108.800 0.022 0.000 2.137 248 G HA2 -0.267 3.692 3.960 -0.000 0.000 0.237 248 G HA3 -0.267 3.692 3.960 -0.000 0.000 0.237 248 G C 0.809 175.722 174.900 0.023 0.000 1.002 248 G CA 0.499 45.611 45.100 0.019 0.000 0.702 248 G HN 0.602 nan 8.290 nan 0.000 0.515 249 T N -3.467 111.102 114.554 0.026 0.000 3.035 249 T HA 0.454 4.804 4.350 -0.000 0.000 0.259 249 T C 2.001 176.720 174.700 0.032 0.000 1.078 249 T CA 1.645 63.759 62.100 0.025 0.000 1.132 249 T CB 0.566 69.442 68.868 0.013 0.000 0.900 249 T HN 2.054 nan 8.240 nan 0.000 0.480 250 G N 0.869 109.693 108.800 0.040 0.000 2.240 250 G HA2 -0.107 3.853 3.960 -0.000 0.000 0.181 250 G HA3 -0.107 3.853 3.960 -0.000 0.000 0.181 250 G C 0.641 175.573 174.900 0.053 0.000 1.028 250 G CA 0.082 45.209 45.100 0.046 0.000 0.760 250 G HN 0.449 nan 8.290 nan 0.000 0.508 251 K N 0.154 120.595 120.400 0.069 0.000 1.991 251 K HA -0.051 4.269 4.320 -0.000 0.000 0.212 251 K C 2.500 179.159 176.600 0.099 0.000 1.049 251 K CA 2.025 58.382 56.287 0.118 0.000 0.932 251 K CB -0.374 32.213 32.500 0.145 0.000 0.717 251 K HN 0.231 nan 8.250 nan 0.000 0.441 252 T N 1.929 116.517 114.554 0.056 0.000 2.788 252 T HA -0.121 4.229 4.350 -0.000 0.000 0.268 252 T C 1.787 176.434 174.700 -0.089 0.000 1.044 252 T CA 0.991 63.075 62.100 -0.026 0.000 1.139 252 T CB -0.204 68.664 68.868 0.000 0.000 0.867 252 T HN 0.094 nan 8.240 nan 0.000 0.454 253 L N 0.773 121.974 121.223 -0.037 0.000 2.046 253 L HA 0.043 4.383 4.340 -0.000 0.000 0.208 253 L C 2.147 178.977 176.870 -0.066 0.000 1.077 253 L CA 1.517 56.329 54.840 -0.046 0.000 0.747 253 L CB -0.421 41.639 42.059 0.001 0.000 0.896 253 L HN 0.237 nan 8.230 nan 0.000 0.432 254 I N -0.603 119.957 120.570 -0.017 0.000 2.286 254 I HA -0.289 3.881 4.170 -0.000 0.000 0.248 254 I C 2.588 178.655 176.117 -0.083 0.000 1.115 254 I CA 1.058 62.372 61.300 0.024 0.000 1.392 254 I CB -0.556 37.515 38.000 0.118 0.000 1.065 254 I HN 0.371 nan 8.210 nan 0.000 0.418 255 A N 0.842 123.507 122.820 -0.258 0.000 1.883 255 A HA -0.212 4.108 4.320 -0.000 0.000 0.217 255 A C 2.361 179.637 177.584 -0.514 0.000 1.186 255 A CA 1.504 53.133 52.037 -0.680 0.000 0.624 255 A CB -0.428 17.836 19.000 -1.226 0.000 0.822 255 A HN 0.248 nan 8.150 nan 0.000 0.444 256 R N -0.460 119.807 120.500 -0.389 0.000 2.092 256 R HA 0.005 4.345 4.340 -0.000 0.000 0.231 256 R C 2.438 178.496 176.300 -0.403 0.000 1.119 256 R CA 1.352 57.224 56.100 -0.380 0.000 0.970 256 R CB -1.262 28.887 30.300 -0.252 0.000 0.864 256 R HN 0.535 nan 8.270 nan 0.000 0.440 257 A N 0.836 123.459 122.820 -0.330 0.000 1.877 257 A HA -0.111 4.208 4.320 -0.000 0.000 0.216 257 A C 2.505 179.752 177.584 -0.561 0.000 1.186 257 A CA 1.614 53.403 52.037 -0.414 0.000 0.620 257 A CB -0.710 18.098 19.000 -0.319 0.000 0.822 257 A HN 0.083 nan 8.150 nan 0.000 0.443 258 V N -0.022 119.669 119.914 -0.372 0.000 2.287 258 V HA -0.293 3.827 4.120 -0.000 0.000 0.248 258 V C 3.088 178.937 176.094 -0.408 0.000 1.053 258 V CA 2.068 64.242 62.300 -0.209 0.000 1.027 258 V CB -1.292 30.619 31.823 0.145 0.000 0.646 258 V HN 0.636 nan 8.190 nan 0.000 0.447 259 A N 0.255 122.537 122.820 -0.898 0.000 1.948 259 A HA -0.312 4.007 4.320 -0.000 0.000 0.220 259 A C 1.959 179.174 177.584 -0.615 0.000 1.177 259 A CA 2.618 53.849 52.037 -1.344 0.000 0.636 259 A CB -0.816 17.192 19.000 -1.653 0.000 0.815 259 A HN 0.750 nan 8.150 nan 0.000 0.449 260 N N -1.182 117.231 118.700 -0.479 0.000 2.415 260 N HA -0.000 4.740 4.740 -0.000 0.000 0.176 260 N C 1.248 176.603 175.510 -0.259 0.000 1.042 260 N CA 0.616 53.472 53.050 -0.323 0.000 0.902 260 N CB 0.149 38.461 38.487 -0.293 0.000 0.986 260 N HN 0.412 nan 8.380 nan 0.000 0.447 261 E N 0.352 120.364 120.200 -0.314 0.000 2.460 261 E HA 0.019 4.369 4.350 -0.000 0.000 0.200 261 E C 0.380 176.943 176.600 -0.061 0.000 1.011 261 E CA 0.378 56.634 56.400 -0.240 0.000 0.912 261 E CB 0.534 29.902 29.700 -0.552 0.000 0.953 261 E HN 0.355 nan 8.360 nan 0.000 0.494 262 T N -2.767 111.763 114.554 -0.040 0.000 2.928 262 T HA 0.426 4.776 4.350 -0.000 0.000 0.284 262 T C 1.274 176.008 174.700 0.057 0.000 1.008 262 T CA -0.264 61.871 62.100 0.059 0.000 1.057 262 T CB 1.922 70.862 68.868 0.120 0.000 1.018 262 T HN -0.047 nan 8.240 nan 0.000 0.493 263 G N 0.472 109.315 108.800 0.072 0.000 2.484 263 G HA2 0.338 4.298 3.960 -0.000 0.000 0.218 263 G HA3 0.338 4.298 3.960 -0.000 0.000 0.218 263 G C 0.720 175.674 174.900 0.090 0.000 1.130 263 G CA 0.151 45.290 45.100 0.065 0.000 0.784 263 G HN 1.188 nan 8.290 nan 0.000 0.543 264 A N -0.000 122.889 122.820 0.115 0.000 2.407 264 A HA 0.511 4.831 4.320 -0.000 0.000 0.248 264 A C -0.271 177.449 177.584 0.225 0.000 1.082 264 A CA -0.706 51.428 52.037 0.161 0.000 0.785 264 A CB 0.187 19.282 19.000 0.158 0.000 1.020 264 A HN 0.352 nan 8.150 nan 0.000 0.489 265 F N 1.664 121.675 119.950 0.101 0.000 2.529 265 F HA 0.441 4.968 4.527 -0.000 0.000 0.365 265 F C -0.528 175.395 175.800 0.206 0.000 1.102 265 F CA -0.011 58.068 58.000 0.132 0.000 1.271 265 F CB 0.158 39.215 39.000 0.096 0.000 1.120 265 F HN 0.436 nan 8.300 nan 0.000 0.579 266 F N 7.493 127.004 119.950 -0.731 0.000 2.507 266 F HA 0.519 5.046 4.527 -0.000 0.000 0.325 266 F C -1.830 173.567 175.800 -0.671 0.000 1.116 266 F CA -0.958 56.754 58.000 -0.481 0.000 0.930 266 F CB 1.063 39.903 39.000 -0.266 0.000 1.146 266 F HN 0.411 nan 8.300 nan 0.000 0.447 267 F N 7.266 126.818 119.950 -0.663 0.000 2.507 267 F HA 0.561 5.087 4.527 -0.000 0.000 0.328 267 F C -1.737 173.884 175.800 -0.297 0.000 1.136 267 F CA -0.972 56.804 58.000 -0.373 0.000 0.930 267 F CB 1.410 40.277 39.000 -0.222 0.000 1.166 267 F HN 0.382 nan 8.300 nan 0.000 0.436 268 L N 6.978 128.141 121.223 -0.100 0.000 2.307 268 L HA 0.668 5.007 4.340 -0.000 0.000 0.282 268 L C -1.209 175.756 176.870 0.158 0.000 1.051 268 L CA -0.281 54.625 54.840 0.109 0.000 0.804 268 L CB 1.048 43.187 42.059 0.134 0.000 1.197 268 L HN 0.509 nan 8.230 nan 0.000 0.431 269 I N 4.813 125.530 120.570 0.245 0.000 2.447 269 I HA 0.379 4.549 4.170 -0.000 0.000 0.287 269 I C -0.831 175.399 176.117 0.189 0.000 1.023 269 I CA -0.677 60.763 61.300 0.233 0.000 1.083 269 I CB 1.617 39.767 38.000 0.250 0.000 1.245 269 I HN 0.546 nan 8.210 nan 0.000 0.434 270 N N 4.535 123.320 118.700 0.141 0.000 2.426 270 N HA 0.236 4.976 4.740 -0.000 0.000 0.275 270 N C 0.993 176.562 175.510 0.098 0.000 1.019 270 N CA -0.180 52.941 53.050 0.118 0.000 0.941 270 N CB 2.075 40.613 38.487 0.084 0.000 1.123 270 N HN 0.829 nan 8.380 nan 0.000 0.486 271 G N 3.470 112.323 108.800 0.088 0.000 2.631 271 G HA2 -0.240 3.719 3.960 -0.000 0.000 0.219 271 G HA3 -0.240 3.719 3.960 -0.000 0.000 0.219 271 G C -0.956 173.976 174.900 0.054 0.000 1.214 271 G CA 1.036 46.174 45.100 0.065 0.000 0.785 271 G HN 0.489 nan 8.290 nan 0.000 0.596 272 P HA -0.023 nan 4.420 nan 0.000 0.218 272 P C 1.707 179.031 177.300 0.041 0.000 1.149 272 P CA 1.089 64.212 63.100 0.038 0.000 0.817 272 P CB 0.048 31.768 31.700 0.033 0.000 0.785 273 E N -0.348 119.882 120.200 0.049 0.000 2.153 273 E HA -0.151 4.199 4.350 -0.000 0.000 0.194 273 E C 1.830 178.464 176.600 0.057 0.000 0.988 273 E CA 1.003 57.433 56.400 0.051 0.000 0.811 273 E CB -0.329 29.405 29.700 0.056 0.000 0.746 273 E HN 0.134 nan 8.360 nan 0.000 0.466 274 I N 0.619 121.228 120.570 0.066 0.000 2.277 274 I HA -0.201 3.969 4.170 -0.000 0.000 0.243 274 I C 2.193 178.339 176.117 0.049 0.000 1.094 274 I CA 0.740 62.080 61.300 0.067 0.000 1.393 274 I CB -0.771 37.277 38.000 0.079 0.000 1.078 274 I HN 0.163 nan 8.210 nan 0.000 0.417 275 M N 0.682 120.308 119.600 0.042 0.000 2.632 275 M HA -0.062 4.417 4.480 -0.000 0.000 0.256 275 M C 2.201 178.518 176.300 0.027 0.000 1.080 275 M CA 0.904 56.224 55.300 0.032 0.000 1.084 275 M CB -1.490 31.127 32.600 0.029 0.000 1.439 275 M HN 0.308 nan 8.290 nan 0.000 0.509 276 S N -1.006 114.712 115.700 0.029 0.000 2.527 276 S HA 0.070 4.540 4.470 -0.000 0.000 0.222 276 S C 0.832 175.447 174.600 0.025 0.000 0.985 276 S CA -0.048 58.167 58.200 0.025 0.000 0.921 276 S CB 0.156 63.371 63.200 0.025 0.000 0.772 276 S HN 0.309 nan 8.310 nan 0.000 0.529 277 K N 0.877 121.294 120.400 0.029 0.000 2.098 277 K HA 0.497 4.817 4.320 -0.000 0.000 0.257 277 K C -0.205 176.409 176.600 0.024 0.000 0.999 277 K CA -0.635 55.669 56.287 0.029 0.000 0.924 277 K CB 0.740 33.262 32.500 0.036 0.000 1.028 277 K HN 0.166 nan 8.250 nan 0.000 0.466 278 L N 1.942 123.178 121.223 0.022 0.000 2.516 278 L HA -0.065 4.275 4.340 -0.000 0.000 0.288 278 L C 0.203 177.084 176.870 0.018 0.000 1.246 278 L CA -0.127 54.724 54.840 0.018 0.000 0.844 278 L CB 0.325 42.394 42.059 0.017 0.000 1.106 278 L HN 0.747 nan 8.230 nan 0.000 0.509 279 A N 2.828 125.657 122.820 0.015 0.000 2.545 279 A HA 0.376 4.696 4.320 -0.000 0.000 0.253 279 A C 1.196 178.788 177.584 0.012 0.000 1.074 279 A CA 0.660 52.705 52.037 0.013 0.000 0.760 279 A CB -0.509 18.497 19.000 0.011 0.000 1.005 279 A HN 1.135 nan 8.150 nan 0.000 0.506 280 G N 1.460 110.268 108.800 0.012 0.000 2.527 280 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.218 280 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.218 280 G C 1.180 176.089 174.900 0.015 0.000 1.177 280 G CA 0.687 45.793 45.100 0.010 0.000 0.695 280 G HN 0.787 nan 8.290 nan 0.000 0.517 281 E N 1.357 121.569 120.200 0.019 0.000 2.209 281 E HA -0.132 4.218 4.350 -0.000 0.000 0.196 281 E C 2.685 179.306 176.600 0.034 0.000 0.993 281 E CA 1.989 58.405 56.400 0.026 0.000 0.819 281 E CB -0.147 29.569 29.700 0.026 0.000 0.745 281 E HN 0.735 nan 8.360 nan 0.000 0.477 282 S N 0.281 116.000 115.700 0.032 0.000 2.371 282 S HA -0.133 4.337 4.470 -0.000 0.000 0.224 282 S C 1.784 176.406 174.600 0.036 0.000 1.029 282 S CA 0.958 59.182 58.200 0.039 0.000 0.978 282 S CB -0.251 62.970 63.200 0.035 0.000 0.833 282 S HN 0.182 nan 8.310 nan 0.000 0.466 283 E N 1.597 121.809 120.200 0.021 0.000 2.153 283 E HA -0.068 4.281 4.350 -0.000 0.000 0.194 283 E C 2.245 178.851 176.600 0.010 0.000 0.988 283 E CA 1.073 57.477 56.400 0.007 0.000 0.811 283 E CB -0.334 29.363 29.700 -0.005 0.000 0.746 283 E HN 0.575 nan 8.360 nan 0.000 0.466 284 S N 0.330 116.041 115.700 0.020 0.000 2.356 284 S HA -0.182 4.287 4.470 -0.000 0.000 0.223 284 S C 1.659 176.285 174.600 0.044 0.000 1.032 284 S CA 1.696 59.911 58.200 0.025 0.000 1.005 284 S CB -0.307 62.909 63.200 0.027 0.000 0.867 284 S HN 0.294 nan 8.310 nan 0.000 0.449 285 N N 0.626 119.364 118.700 0.063 0.000 2.188 285 N HA 0.021 4.761 4.740 -0.000 0.000 0.184 285 N C 1.832 177.406 175.510 0.106 0.000 1.018 285 N CA 1.128 54.236 53.050 0.097 0.000 0.858 285 N CB -0.206 38.350 38.487 0.115 0.000 0.989 285 N HN 0.318 nan 8.380 nan 0.000 0.426 286 L N 1.075 122.351 121.223 0.089 0.000 1.994 286 L HA -0.169 4.171 4.340 -0.000 0.000 0.208 286 L C 2.523 179.455 176.870 0.105 0.000 1.071 286 L CA 1.318 56.222 54.840 0.107 0.000 0.745 286 L CB -0.221 41.865 42.059 0.046 0.000 0.892 286 L HN 0.198 nan 8.230 nan 0.000 0.431 287 R N -0.290 120.227 120.500 0.029 0.000 2.083 287 R HA -0.235 4.105 4.340 -0.000 0.000 0.237 287 R C 2.304 178.629 176.300 0.043 0.000 1.137 287 R CA 1.524 57.633 56.100 0.015 0.000 0.951 287 R CB -0.290 30.003 30.300 -0.012 0.000 0.851 287 R HN 0.085 nan 8.270 nan 0.000 0.434 288 K N 0.827 121.244 120.400 0.029 0.000 2.103 288 K HA -0.112 4.207 4.320 -0.000 0.000 0.207 288 K C 1.829 178.359 176.600 -0.116 0.000 1.048 288 K CA 1.656 57.948 56.287 0.008 0.000 0.930 288 K CB -0.359 32.178 32.500 0.062 0.000 0.716 288 K HN 0.197 nan 8.250 nan 0.000 0.444 289 A N -0.523 122.177 122.820 -0.200 0.000 1.877 289 A HA -0.103 4.217 4.320 -0.000 0.000 0.216 289 A C 2.104 179.344 177.584 -0.574 0.000 1.186 289 A CA 1.517 53.096 52.037 -0.764 0.000 0.620 289 A CB -0.789 17.958 19.000 -0.421 0.000 0.822 289 A HN 0.322 nan 8.150 nan 0.000 0.443 290 F N 0.017 119.783 119.950 -0.307 0.000 2.163 290 F HA -0.032 4.494 4.527 -0.000 0.000 0.297 290 F C 2.435 178.141 175.800 -0.158 0.000 1.094 290 F CA 1.636 59.518 58.000 -0.197 0.000 1.290 290 F CB -0.433 38.491 39.000 -0.127 0.000 1.017 290 F HN 0.287 nan 8.300 nan 0.000 0.483 291 E N -0.232 119.992 120.200 0.040 0.000 2.077 291 E HA -0.259 4.091 4.350 -0.000 0.000 0.193 291 E C 1.993 178.557 176.600 -0.061 0.000 0.989 291 E CA 1.456 57.851 56.400 -0.008 0.000 0.800 291 E CB -0.148 29.551 29.700 -0.002 0.000 0.746 291 E HN 0.297 nan 8.360 nan 0.000 0.452 292 E N 0.560 120.694 120.200 -0.110 0.000 2.047 292 E HA -0.148 4.202 4.350 -0.000 0.000 0.191 292 E C 1.866 178.405 176.600 -0.102 0.000 0.987 292 E CA 1.271 57.616 56.400 -0.092 0.000 0.799 292 E CB -0.146 29.538 29.700 -0.028 0.000 0.752 292 E HN 0.254 nan 8.360 nan 0.000 0.449 293 A N 0.477 123.237 122.820 -0.101 0.000 1.902 293 A HA -0.213 4.107 4.320 -0.000 0.000 0.217 293 A C 2.098 179.647 177.584 -0.058 0.000 1.181 293 A CA 1.747 53.789 52.037 0.009 0.000 0.623 293 A CB -0.588 18.331 19.000 -0.136 0.000 0.818 293 A HN 0.307 nan 8.150 nan 0.000 0.443 294 E N -0.642 119.513 120.200 -0.075 0.000 2.110 294 E HA -0.177 4.173 4.350 -0.000 0.000 0.193 294 E C 2.081 178.643 176.600 -0.063 0.000 0.988 294 E CA 1.167 57.539 56.400 -0.046 0.000 0.804 294 E CB -0.056 29.632 29.700 -0.019 0.000 0.745 294 E HN 0.560 nan 8.360 nan 0.000 0.458 295 K N 0.522 120.863 120.400 -0.099 0.000 2.155 295 K HA -0.061 4.259 4.320 -0.000 0.000 0.203 295 K C -0.141 176.353 176.600 -0.177 0.000 1.052 295 K CA 0.703 56.919 56.287 -0.117 0.000 0.948 295 K CB 0.076 32.506 32.500 -0.117 0.000 0.728 295 K HN 0.016 nan 8.250 nan 0.000 0.448 296 N N 0.346 118.871 118.700 -0.291 0.000 2.609 296 N HA 0.274 5.013 4.740 -0.000 0.000 0.234 296 N C -0.953 174.427 175.510 -0.216 0.000 1.001 296 N CA 0.168 52.957 53.050 -0.435 0.000 0.926 296 N CB 1.543 39.312 38.487 -1.196 0.000 1.130 296 N HN 0.292 nan 8.380 nan 0.000 0.510 297 A N 3.070 125.826 122.820 -0.106 0.000 6.500 297 A HA -0.167 4.153 4.320 -0.000 0.000 0.250 297 A C -2.242 175.352 177.584 0.018 0.000 2.143 297 A CA -0.644 51.377 52.037 -0.028 0.000 0.705 297 A CB -1.806 17.204 19.000 0.016 0.000 1.015 297 A HN 0.459 nan 8.150 nan 0.000 0.374 298 P HA 0.416 nan 4.420 nan 0.000 0.261 298 P C -0.237 177.138 177.300 0.125 0.000 1.183 298 P CA 1.353 64.490 63.100 0.061 0.000 0.761 298 P CB 0.250 31.960 31.700 0.016 0.000 0.785 299 A N 4.108 127.006 122.820 0.130 0.000 2.498 299 A HA 0.753 5.073 4.320 -0.000 0.000 0.298 299 A C -0.732 176.894 177.584 0.070 0.000 1.075 299 A CA -0.781 51.371 52.037 0.192 0.000 0.714 299 A CB 1.206 20.390 19.000 0.308 0.000 1.299 299 A HN 0.420 nan 8.150 nan 0.000 0.407 300 I N 1.693 122.275 120.570 0.020 0.000 2.378 300 I HA 0.395 4.565 4.170 -0.000 0.000 0.291 300 I C -0.787 175.121 176.117 -0.350 0.000 0.992 300 I CA -0.239 60.983 61.300 -0.130 0.000 1.154 300 I CB 1.641 39.611 38.000 -0.051 0.000 1.315 300 I HN 0.457 nan 8.210 nan 0.000 0.448 301 I N 6.031 126.415 120.570 -0.310 0.000 2.339 301 I HA 0.290 4.460 4.170 -0.000 0.000 0.290 301 I C -0.860 175.115 176.117 -0.237 0.000 0.994 301 I CA -0.391 60.717 61.300 -0.320 0.000 1.191 301 I CB 1.258 38.994 38.000 -0.441 0.000 1.343 301 I HN 0.444 nan 8.210 nan 0.000 0.458 302 F N 7.685 127.407 119.950 -0.379 0.000 2.375 302 F HA 0.516 5.043 4.527 -0.000 0.000 0.361 302 F C -0.100 175.692 175.800 -0.012 0.000 1.117 302 F CA -0.554 57.343 58.000 -0.172 0.000 1.037 302 F CB 0.797 39.710 39.000 -0.144 0.000 1.192 302 F HN 0.263 nan 8.300 nan 0.000 0.452 303 I N 5.348 125.856 120.570 -0.104 0.000 2.269 303 I HA 0.123 4.293 4.170 -0.000 0.000 0.293 303 I C -0.268 175.852 176.117 0.005 0.000 1.106 303 I CA -0.339 60.974 61.300 0.022 0.000 1.248 303 I CB 0.164 38.177 38.000 0.021 0.000 1.444 303 I HN 0.451 nan 8.210 nan 0.000 0.497 304 D N 6.245 126.811 120.400 0.277 0.000 2.302 304 D HA 0.092 4.732 4.640 -0.000 0.000 0.248 304 D C 0.199 176.583 176.300 0.139 0.000 1.094 304 D CA 0.198 54.387 54.000 0.315 0.000 0.897 304 D CB 0.702 41.718 40.800 0.361 0.000 1.200 304 D HN 0.496 nan 8.370 nan 0.000 0.429 305 E N 1.306 121.567 120.200 0.102 0.000 2.246 305 E HA -0.245 4.104 4.350 -0.000 0.000 0.211 305 E C 0.769 177.374 176.600 0.009 0.000 1.278 305 E CA -0.162 56.268 56.400 0.050 0.000 0.694 305 E CB -0.979 28.755 29.700 0.056 0.000 1.166 305 E HN 0.386 nan 8.360 nan 0.000 0.370 306 L N 1.501 122.697 121.223 -0.044 0.000 2.187 306 L HA -0.200 4.140 4.340 -0.000 0.000 0.213 306 L C 2.125 178.960 176.870 -0.059 0.000 1.100 306 L CA 2.637 57.423 54.840 -0.090 0.000 0.765 306 L CB -0.214 41.703 42.059 -0.236 0.000 0.904 306 L HN 0.451 nan 8.230 nan 0.000 0.437 307 D N -0.700 119.674 120.400 -0.044 0.000 2.263 307 D HA -0.196 4.443 4.640 -0.000 0.000 0.208 307 D C 1.858 178.155 176.300 -0.006 0.000 0.971 307 D CA 1.081 55.066 54.000 -0.026 0.000 0.867 307 D CB -0.149 40.641 40.800 -0.018 0.000 0.929 307 D HN 0.484 nan 8.370 nan 0.000 0.492 308 A N 1.620 124.442 122.820 0.003 0.000 1.930 308 A HA -0.027 4.293 4.320 -0.000 0.000 0.217 308 A C 2.468 180.062 177.584 0.016 0.000 1.175 308 A CA 1.461 53.507 52.037 0.014 0.000 0.627 308 A CB -0.681 18.333 19.000 0.023 0.000 0.815 308 A HN 0.485 nan 8.150 nan 0.000 0.443 309 I N -5.041 115.538 120.570 0.015 0.000 3.265 309 I HA 0.463 4.633 4.170 -0.000 0.000 0.282 309 I C 1.096 177.222 176.117 0.014 0.000 1.207 309 I CA 0.769 62.082 61.300 0.021 0.000 1.449 309 I CB 0.414 38.435 38.000 0.036 0.000 1.121 309 I HN 0.130 nan 8.210 nan 0.000 0.442 310 A N 3.198 126.019 122.820 0.002 0.000 3.204 310 A HA 0.631 4.951 4.320 -0.000 0.000 0.327 310 A C -2.708 174.873 177.584 -0.005 0.000 0.998 310 A CA -1.233 50.805 52.037 0.002 0.000 0.891 310 A CB -0.482 18.520 19.000 0.004 0.000 1.061 310 A HN 0.150 nan 8.150 nan 0.000 0.478 311 P HA 0.239 nan 4.420 nan 0.000 0.279 311 P C -0.596 176.705 177.300 0.002 0.000 1.276 311 P CA -0.512 62.589 63.100 0.002 0.000 0.801 311 P CB 0.657 32.364 31.700 0.011 0.000 1.127 312 K N 1.074 121.475 120.400 0.001 0.000 2.361 312 K HA 0.029 4.349 4.320 -0.000 0.000 0.283 312 K C 1.588 178.187 176.600 -0.001 0.000 1.078 312 K CA 0.284 56.570 56.287 -0.001 0.000 1.041 312 K CB -0.014 32.484 32.500 -0.004 0.000 0.932 312 K HN 0.288 nan 8.250 nan 0.000 0.462 313 R N 2.194 122.692 120.500 -0.002 0.000 2.174 313 R HA -0.264 4.075 4.340 -0.000 0.000 0.253 313 R C 1.914 178.205 176.300 -0.014 0.000 1.165 313 R CA 2.151 58.248 56.100 -0.005 0.000 0.984 313 R CB -0.115 30.181 30.300 -0.006 0.000 0.873 313 R HN 0.739 nan 8.270 nan 0.000 0.456 314 E N 0.815 121.005 120.200 -0.016 0.000 2.085 314 E HA -0.225 4.125 4.350 -0.000 0.000 0.194 314 E C 0.796 177.374 176.600 -0.037 0.000 0.994 314 E CA 1.217 57.602 56.400 -0.025 0.000 0.801 314 E CB -0.096 29.592 29.700 -0.020 0.000 0.743 314 E HN 0.090 nan 8.360 nan 0.000 0.453 315 K N 0.811 121.197 120.400 -0.023 0.000 2.682 315 K HA 0.177 4.497 4.320 -0.000 0.000 0.189 315 K C -1.505 175.104 176.600 0.015 0.000 1.062 315 K CA -0.129 56.147 56.287 -0.020 0.000 0.997 315 K CB 1.217 33.715 32.500 -0.003 0.000 1.405 315 K HN 0.019 nan 8.250 nan 0.000 0.588 316 T N 0.441 114.996 114.554 0.001 0.000 3.578 316 T HA 0.179 4.529 4.350 -0.000 0.000 0.343 316 T C 0.349 175.083 174.700 0.057 0.000 1.126 316 T CA -0.632 61.509 62.100 0.068 0.000 1.092 316 T CB 0.692 69.589 68.868 0.047 0.000 1.160 316 T HN 0.534 nan 8.240 nan 0.000 0.469 317 H N 2.686 121.755 119.070 -0.001 0.000 2.363 317 H HA 0.143 4.699 4.556 -0.001 0.000 0.301 317 H C 1.516 176.844 175.328 -0.000 0.000 1.074 317 H CA 0.707 56.755 56.048 -0.001 0.000 1.354 317 H CB 0.158 29.919 29.762 -0.000 0.000 1.397 317 H HN 0.682 nan 8.280 nan 0.000 0.516 318 G N 0.589 109.465 108.800 0.127 0.000 2.432 318 G HA2 0.023 3.983 3.960 -0.000 0.000 0.257 318 G HA3 0.023 3.983 3.960 -0.000 0.000 0.257 318 G C 0.536 175.460 174.900 0.040 0.000 1.238 318 G CA -0.366 44.775 45.100 0.068 0.000 0.838 318 G HN 0.344 nan 8.290 nan 0.000 0.547 319 E N 0.870 121.087 120.200 0.028 0.000 2.077 319 E HA -0.152 4.198 4.350 -0.000 0.000 0.193 319 E C 2.643 179.251 176.600 0.012 0.000 0.989 319 E CA 0.898 57.307 56.400 0.015 0.000 0.800 319 E CB -0.001 29.706 29.700 0.011 0.000 0.746 319 E HN 0.363 nan 8.360 nan 0.000 0.452 320 V N 1.475 121.398 119.914 0.015 0.000 2.392 320 V HA -0.267 3.853 4.120 -0.000 0.000 0.249 320 V C 1.957 178.059 176.094 0.014 0.000 1.059 320 V CA 1.943 64.250 62.300 0.012 0.000 1.051 320 V CB -0.519 31.313 31.823 0.014 0.000 0.658 320 V HN 0.228 nan 8.190 nan 0.000 0.455 321 E N -0.187 120.025 120.200 0.019 0.000 2.106 321 E HA -0.182 4.168 4.350 -0.000 0.000 0.192 321 E C 2.484 179.093 176.600 0.015 0.000 0.984 321 E CA 1.003 57.416 56.400 0.021 0.000 0.806 321 E CB -0.158 29.560 29.700 0.031 0.000 0.750 321 E HN 0.511 nan 8.360 nan 0.000 0.458 322 R N 0.266 120.773 120.500 0.012 0.000 2.090 322 R HA 0.002 4.342 4.340 -0.000 0.000 0.228 322 R C 2.380 178.680 176.300 -0.001 0.000 1.110 322 R CA 0.812 56.915 56.100 0.004 0.000 0.973 322 R CB -0.062 30.239 30.300 0.001 0.000 0.869 322 R HN -0.004 nan 8.270 nan 0.000 0.440 323 R N 0.475 120.974 120.500 -0.001 0.000 2.120 323 R HA -0.094 4.246 4.340 -0.000 0.000 0.234 323 R C 1.985 178.278 176.300 -0.011 0.000 1.123 323 R CA 1.201 57.297 56.100 -0.007 0.000 0.975 323 R CB -0.133 30.164 30.300 -0.005 0.000 0.866 323 R HN 0.139 nan 8.270 nan 0.000 0.446 324 I N -0.128 120.439 120.570 -0.004 0.000 2.252 324 I HA -0.260 3.910 4.170 -0.000 0.000 0.245 324 I C 2.097 178.208 176.117 -0.010 0.000 1.102 324 I CA 0.981 62.278 61.300 -0.005 0.000 1.385 324 I CB -0.025 37.979 38.000 0.008 0.000 1.064 324 I HN -0.048 nan 8.210 nan 0.000 0.414 325 V N -0.451 119.461 119.914 -0.004 0.000 2.295 325 V HA -0.295 3.825 4.120 -0.000 0.000 0.246 325 V C 2.472 178.557 176.094 -0.015 0.000 1.049 325 V CA 2.182 64.481 62.300 -0.002 0.000 1.024 325 V CB -0.971 30.854 31.823 0.003 0.000 0.648 325 V HN 0.375 nan 8.190 nan 0.000 0.447 326 S N -0.411 115.277 115.700 -0.020 0.000 2.383 326 S HA -0.309 4.161 4.470 -0.000 0.000 0.229 326 S C 2.040 176.608 174.600 -0.054 0.000 1.030 326 S CA 1.938 60.119 58.200 -0.031 0.000 1.002 326 S CB -0.373 62.812 63.200 -0.026 0.000 0.829 326 S HN 0.670 nan 8.310 nan 0.000 0.467 327 Q N 1.038 120.803 119.800 -0.058 0.000 2.084 327 Q HA -0.063 4.277 4.340 -0.000 0.000 0.202 327 Q C 1.999 177.910 176.000 -0.150 0.000 0.978 327 Q CA 1.225 56.973 55.803 -0.091 0.000 0.844 327 Q CB -0.505 28.190 28.738 -0.071 0.000 0.898 327 Q HN 0.444 nan 8.270 nan 0.000 0.426 328 L N -0.412 120.739 121.223 -0.119 0.000 2.027 328 L HA -0.033 4.307 4.340 -0.000 0.000 0.206 328 L C 2.014 178.791 176.870 -0.154 0.000 1.074 328 L CA 1.589 56.339 54.840 -0.150 0.000 0.745 328 L CB -0.696 41.347 42.059 -0.026 0.000 0.898 328 L HN 0.391 nan 8.230 nan 0.000 0.433 329 L N -0.848 120.327 121.223 -0.080 0.000 2.013 329 L HA -0.285 4.055 4.340 -0.000 0.000 0.212 329 L C 2.365 179.170 176.870 -0.107 0.000 1.073 329 L CA 2.084 56.884 54.840 -0.067 0.000 0.753 329 L CB -1.104 40.934 42.059 -0.034 0.000 0.890 329 L HN 0.309 nan 8.230 nan 0.000 0.432 330 T N 0.037 114.519 114.554 -0.120 0.000 2.720 330 T HA -0.175 4.175 4.350 -0.000 0.000 0.268 330 T C 1.924 176.513 174.700 -0.185 0.000 1.037 330 T CA 1.294 63.318 62.100 -0.127 0.000 1.144 330 T CB -0.261 68.541 68.868 -0.110 0.000 0.864 330 T HN 0.190 nan 8.240 nan 0.000 0.444 331 L N 0.225 121.259 121.223 -0.316 0.000 2.027 331 L HA -0.074 4.266 4.340 -0.000 0.000 0.206 331 L C 2.806 179.468 176.870 -0.347 0.000 1.074 331 L CA 0.895 55.424 54.840 -0.519 0.000 0.745 331 L CB -0.576 40.752 42.059 -1.217 0.000 0.898 331 L HN 0.217 nan 8.230 nan 0.000 0.433 332 M N -0.347 119.092 119.600 -0.269 0.000 2.108 332 M HA -0.246 4.234 4.480 -0.000 0.000 0.257 332 M C 1.685 177.930 176.300 -0.091 0.000 1.071 332 M CA 1.787 57.024 55.300 -0.105 0.000 1.093 332 M CB -1.117 31.400 32.600 -0.139 0.000 1.345 332 M HN 0.262 nan 8.290 nan 0.000 0.403 333 D N -0.857 119.485 120.400 -0.097 0.000 2.305 333 D HA 0.059 4.699 4.640 -0.000 0.000 0.206 333 D C 2.034 178.298 176.300 -0.059 0.000 0.974 333 D CA 1.002 54.960 54.000 -0.071 0.000 0.871 333 D CB -0.486 40.279 40.800 -0.058 0.000 0.947 333 D HN 0.415 nan 8.370 nan 0.000 0.516 334 G N 0.840 109.598 108.800 -0.069 0.000 2.432 334 G HA2 -0.118 3.842 3.960 -0.000 0.000 0.219 334 G HA3 -0.118 3.842 3.960 -0.000 0.000 0.219 334 G C 0.797 175.682 174.900 -0.024 0.000 1.135 334 G CA 0.055 45.124 45.100 -0.052 0.000 0.767 334 G HN 0.227 nan 8.290 nan 0.000 0.550 335 L N 1.428 122.647 121.223 -0.005 0.000 2.500 335 L HA 0.188 4.528 4.340 -0.000 0.000 0.272 335 L C 0.575 177.419 176.870 -0.043 0.000 1.149 335 L CA -0.176 54.660 54.840 -0.006 0.000 0.897 335 L CB 0.613 42.678 42.059 0.010 0.000 1.178 335 L HN 0.082 nan 8.230 nan 0.000 0.473 336 K N 2.070 122.441 120.400 -0.049 0.000 2.120 336 K HA 0.084 4.403 4.320 -0.000 0.000 0.245 336 K C 0.936 177.476 176.600 -0.100 0.000 1.024 336 K CA -0.800 55.450 56.287 -0.062 0.000 0.906 336 K CB 0.738 33.208 32.500 -0.050 0.000 1.051 336 K HN 0.483 nan 8.250 nan 0.000 0.491 337 Q N 1.131 120.867 119.800 -0.106 0.000 2.077 337 Q HA -0.226 4.114 4.340 -0.000 0.000 0.206 337 Q C 1.630 177.467 176.000 -0.272 0.000 0.989 337 Q CA 1.877 57.589 55.803 -0.151 0.000 0.853 337 Q CB -0.449 28.225 28.738 -0.106 0.000 0.907 337 Q HN 0.516 nan 8.270 nan 0.000 0.418 338 R N 0.403 120.754 120.500 -0.248 0.000 2.346 338 R HA 0.263 4.603 4.340 -0.000 0.000 0.199 338 R C 1.693 177.794 176.300 -0.332 0.000 1.015 338 R CA 0.845 56.734 56.100 -0.351 0.000 1.058 338 R CB -0.552 29.675 30.300 -0.121 0.000 0.921 338 R HN 0.145 nan 8.270 nan 0.000 0.475 339 A N 0.933 123.601 122.820 -0.254 0.000 1.968 339 A HA -0.086 4.233 4.320 -0.000 0.000 0.217 339 A C 0.087 177.648 177.584 -0.038 0.000 1.169 339 A CA 0.681 52.655 52.037 -0.106 0.000 0.638 339 A CB -0.607 18.350 19.000 -0.071 0.000 0.812 339 A HN 0.672 nan 8.150 nan 0.000 0.446 340 H N -1.648 117.398 119.070 -0.041 0.000 2.672 340 H HA -0.121 4.435 4.556 -0.000 0.000 0.325 340 H C -0.933 174.367 175.328 -0.047 0.000 1.158 340 H CA 0.651 56.671 56.048 -0.045 0.000 1.134 340 H CB -2.353 27.391 29.762 -0.029 0.000 1.553 340 H HN 0.251 nan 8.280 nan 0.000 0.419 341 V N 2.874 122.781 119.914 -0.012 0.000 2.483 341 V HA 0.359 4.479 4.120 -0.000 0.000 0.297 341 V C 0.445 176.484 176.094 -0.092 0.000 1.027 341 V CA -0.735 61.536 62.300 -0.048 0.000 0.855 341 V CB 2.525 34.297 31.823 -0.086 0.000 0.995 341 V HN 0.201 nan 8.190 nan 0.000 0.424 342 I N 5.202 125.720 120.570 -0.087 0.000 2.377 342 I HA 0.482 4.652 4.170 -0.000 0.000 0.293 342 I C -0.151 175.891 176.117 -0.125 0.000 0.987 342 I CA -0.674 60.564 61.300 -0.103 0.000 1.185 342 I CB 1.892 39.856 38.000 -0.059 0.000 1.341 342 I HN 0.249 nan 8.210 nan 0.000 0.455 343 V N 6.788 126.617 119.914 -0.141 0.000 2.370 343 V HA 0.456 4.576 4.120 -0.000 0.000 0.283 343 V C 0.284 176.400 176.094 0.037 0.000 1.023 343 V CA -0.524 61.714 62.300 -0.103 0.000 0.857 343 V CB 1.445 33.193 31.823 -0.125 0.000 0.985 343 V HN 0.638 nan 8.190 nan 0.000 0.443 344 M N 3.801 123.383 119.600 -0.030 0.000 2.472 344 M HA 0.846 5.326 4.480 -0.000 0.000 0.331 344 M C -0.167 175.841 176.300 -0.487 0.000 1.170 344 M CA -0.391 54.816 55.300 -0.155 0.000 1.009 344 M CB 2.185 34.679 32.600 -0.177 0.000 1.672 344 M HN 0.757 nan 8.290 nan 0.000 0.453 345 A N 1.572 124.057 122.820 -0.559 0.000 2.549 345 A HA 0.944 5.264 4.320 -0.000 0.000 0.297 345 A C -1.701 175.592 177.584 -0.486 0.000 1.061 345 A CA -0.674 50.953 52.037 -0.684 0.000 0.690 345 A CB 1.584 20.129 19.000 -0.758 0.000 1.287 345 A HN 0.878 nan 8.150 nan 0.000 0.402 346 A N 0.386 123.032 122.820 -0.290 0.000 2.386 346 A HA 0.956 5.276 4.320 -0.000 0.000 0.311 346 A C -0.312 177.269 177.584 -0.004 0.000 1.068 346 A CA -0.142 51.885 52.037 -0.016 0.000 0.743 346 A CB 1.724 20.865 19.000 0.235 0.000 1.258 346 A HN 1.808 nan 8.150 nan 0.000 0.429 347 T N -0.281 114.293 114.554 0.034 0.000 2.853 347 T HA 0.447 4.797 4.350 -0.000 0.000 0.311 347 T C -0.182 174.564 174.700 0.076 0.000 1.307 347 T CA -0.070 62.050 62.100 0.034 0.000 1.019 347 T CB 1.061 69.919 68.868 -0.016 0.000 1.264 347 T HN 0.882 nan 8.240 nan 0.000 0.497 348 N N 1.302 120.037 118.700 0.059 0.000 2.205 348 N HA 0.153 4.893 4.740 -0.000 0.000 0.201 348 N C 0.201 175.744 175.510 0.055 0.000 1.128 348 N CA -0.386 52.705 53.050 0.068 0.000 0.867 348 N CB 0.170 38.688 38.487 0.052 0.000 0.996 348 N HN 0.624 nan 8.380 nan 0.000 0.503 349 R N -0.298 120.222 120.500 0.033 0.000 2.644 349 R HA 0.374 4.714 4.340 -0.000 0.000 0.271 349 R C -2.360 173.930 176.300 -0.016 0.000 1.687 349 R CA -1.302 54.805 56.100 0.012 0.000 1.655 349 R CB 0.882 31.186 30.300 0.006 0.000 1.285 349 R HN -0.038 nan 8.270 nan 0.000 0.643 350 P HA -0.135 nan 4.420 nan 0.000 0.220 350 P C 0.064 177.305 177.300 -0.099 0.000 1.148 350 P CA 0.927 63.966 63.100 -0.103 0.000 0.803 350 P CB 0.222 31.779 31.700 -0.239 0.000 0.782 351 N N -0.189 118.465 118.700 -0.076 0.000 2.521 351 N HA -0.047 4.693 4.740 -0.000 0.000 0.188 351 N C 1.429 176.917 175.510 -0.037 0.000 1.146 351 N CA 0.861 53.876 53.050 -0.058 0.000 0.893 351 N CB -0.421 38.038 38.487 -0.046 0.000 0.975 351 N HN 0.293 nan 8.380 nan 0.000 0.451 352 S N -0.962 114.718 115.700 -0.033 0.000 2.539 352 S HA 0.267 4.736 4.470 -0.000 0.000 0.221 352 S C 0.507 175.094 174.600 -0.022 0.000 0.987 352 S CA -0.498 57.690 58.200 -0.021 0.000 0.929 352 S CB 0.108 63.301 63.200 -0.011 0.000 0.832 352 S HN 0.027 nan 8.310 nan 0.000 0.492 353 I N 2.763 123.311 120.570 -0.036 0.000 2.428 353 I HA 0.195 4.364 4.170 -0.000 0.000 0.289 353 I C 0.420 176.525 176.117 -0.021 0.000 1.019 353 I CA -0.578 60.700 61.300 -0.036 0.000 1.351 353 I CB 0.633 38.595 38.000 -0.064 0.000 1.412 353 I HN 0.183 nan 8.210 nan 0.000 0.513 354 D N 8.030 128.425 120.400 -0.008 0.000 2.586 354 D HA -0.044 4.596 4.640 -0.000 0.000 0.234 354 D C -1.629 174.677 176.300 0.010 0.000 1.132 354 D CA -0.796 53.206 54.000 0.003 0.000 0.860 354 D CB 1.338 42.144 40.800 0.010 0.000 1.159 354 D HN 0.249 nan 8.370 nan 0.000 0.490 355 P HA -0.104 nan 4.420 nan 0.000 0.219 355 P C 0.970 178.288 177.300 0.030 0.000 1.146 355 P CA 1.049 64.157 63.100 0.013 0.000 0.808 355 P CB 0.127 31.831 31.700 0.006 0.000 0.779 356 A N -0.612 122.225 122.820 0.029 0.000 1.978 356 A HA -0.171 4.148 4.320 -0.000 0.000 0.220 356 A C 2.062 179.680 177.584 0.056 0.000 1.170 356 A CA 1.440 53.498 52.037 0.035 0.000 0.636 356 A CB -1.633 17.381 19.000 0.023 0.000 0.810 356 A HN 0.183 nan 8.150 nan 0.000 0.448 357 L N -2.059 119.212 121.223 0.080 0.000 2.492 357 L HA 0.099 4.439 4.340 -0.000 0.000 0.223 357 L C 2.281 179.274 176.870 0.205 0.000 1.132 357 L CA 0.709 55.644 54.840 0.157 0.000 0.850 357 L CB 0.002 42.174 42.059 0.188 0.000 0.966 357 L HN 0.249 nan 8.230 nan 0.000 0.454 358 R N -1.034 119.540 120.500 0.124 0.000 2.468 358 R HA 0.153 4.493 4.340 -0.000 0.000 0.280 358 R C 0.438 176.793 176.300 0.091 0.000 0.963 358 R CA -0.220 55.949 56.100 0.115 0.000 1.083 358 R CB 0.243 30.578 30.300 0.057 0.000 1.200 358 R HN 0.059 nan 8.270 nan 0.000 0.541 359 R N -0.633 119.918 120.500 0.086 0.000 2.649 359 R HA 0.134 4.474 4.340 -0.000 0.000 0.270 359 R C -0.605 175.768 176.300 0.122 0.000 1.105 359 R CA -0.422 55.740 56.100 0.103 0.000 1.193 359 R CB 0.236 30.590 30.300 0.089 0.000 1.120 359 R HN -0.032 nan 8.270 nan 0.000 0.561 360 F N 0.851 120.801 119.950 -0.001 0.000 2.608 360 F HA 0.171 4.698 4.527 -0.001 0.000 0.380 360 F C 1.398 177.181 175.800 -0.028 0.000 1.083 360 F CA 2.073 60.067 58.000 -0.009 0.000 1.266 360 F CB 0.380 39.377 39.000 -0.006 0.000 1.076 360 F HN 0.723 nan 8.300 nan 0.000 0.574 361 G N 4.379 112.858 108.800 -0.534 0.000 2.217 361 G HA2 -0.306 3.653 3.960 -0.000 0.000 0.246 361 G HA3 -0.306 3.653 3.960 -0.000 0.000 0.246 361 G C 0.820 175.554 174.900 -0.277 0.000 0.990 361 G CA 0.466 45.335 45.100 -0.386 0.000 0.627 361 G HN 0.716 nan 8.290 nan 0.000 0.522 362 R N -1.108 119.255 120.500 -0.227 0.000 2.261 362 R HA 0.663 5.002 4.340 -0.000 0.000 0.116 362 R C 0.013 176.077 176.300 -0.393 0.000 1.533 362 R CA -0.456 55.469 56.100 -0.291 0.000 1.423 362 R CB -0.259 29.965 30.300 -0.127 0.000 1.225 362 R HN 0.069 nan 8.270 nan 0.000 0.476 363 F N 2.809 122.730 119.950 -0.049 0.000 2.626 363 F HA 0.088 4.615 4.527 -0.000 0.000 0.353 363 F C 0.426 176.203 175.800 -0.038 0.000 1.230 363 F CA -0.294 57.678 58.000 -0.046 0.000 1.298 363 F CB 0.029 39.007 39.000 -0.036 0.000 1.670 363 F HN 0.398 nan 8.300 nan 0.000 0.633 364 D N -0.411 119.999 120.400 0.016 0.000 2.328 364 D HA 0.027 4.667 4.640 -0.000 0.000 0.221 364 D C 0.567 176.892 176.300 0.042 0.000 1.072 364 D CA 0.112 54.120 54.000 0.013 0.000 0.850 364 D CB 0.221 40.963 40.800 -0.096 0.000 0.922 364 D HN 0.115 nan 8.370 nan 0.000 0.516 365 R N 0.366 120.907 120.500 0.069 0.000 2.686 365 R HA 0.563 4.902 4.340 -0.000 0.000 0.283 365 R C -0.685 175.696 176.300 0.135 0.000 0.978 365 R CA -0.514 55.639 56.100 0.087 0.000 0.897 365 R CB 1.997 32.332 30.300 0.058 0.000 1.192 365 R HN 0.077 nan 8.270 nan 0.000 0.457 366 E N 0.824 121.118 120.200 0.156 0.000 2.272 366 E HA 0.446 4.796 4.350 -0.000 0.000 0.269 366 E C -1.167 175.564 176.600 0.219 0.000 0.877 366 E CA -0.810 55.737 56.400 0.245 0.000 0.755 366 E CB 2.997 32.887 29.700 0.316 0.000 1.192 366 E HN 0.100 nan 8.360 nan 0.000 0.422 367 V N 2.399 122.414 119.914 0.169 0.000 2.407 367 V HA 0.164 4.284 4.120 -0.000 0.000 0.291 367 V C -0.807 175.118 176.094 -0.282 0.000 1.018 367 V CA -0.824 61.482 62.300 0.009 0.000 0.842 367 V CB 1.677 33.515 31.823 0.025 0.000 0.996 367 V HN 0.653 nan 8.190 nan 0.000 0.426 368 D N 5.341 125.477 120.400 -0.439 0.000 2.393 368 D HA 0.194 4.834 4.640 -0.000 0.000 0.232 368 D C 0.140 176.209 176.300 -0.386 0.000 1.192 368 D CA -0.397 53.107 54.000 -0.828 0.000 0.882 368 D CB 0.539 41.021 40.800 -0.530 0.000 1.038 368 D HN 0.289 nan 8.370 nan 0.000 0.499 369 I N 4.402 124.771 120.570 -0.336 0.000 2.270 369 I HA 0.247 4.417 4.170 -0.000 0.000 0.300 369 I C 1.390 177.434 176.117 -0.122 0.000 1.186 369 I CA -0.294 60.917 61.300 -0.148 0.000 1.431 369 I CB -0.447 37.513 38.000 -0.066 0.000 1.485 369 I HN 0.286 nan 8.210 nan 0.000 0.650 370 G N 5.192 113.932 108.800 -0.101 0.000 2.508 370 G HA2 0.495 4.455 3.960 -0.000 0.000 0.278 370 G HA3 0.495 4.455 3.960 -0.000 0.000 0.278 370 G C 0.050 174.943 174.900 -0.011 0.000 1.389 370 G CA -0.686 44.384 45.100 -0.050 0.000 1.050 370 G HN 0.378 nan 8.290 nan 0.000 0.522 371 I N 2.321 122.897 120.570 0.009 0.000 2.556 371 I HA 0.176 4.346 4.170 -0.000 0.000 0.284 371 I C -1.360 174.773 176.117 0.027 0.000 1.114 371 I CA -1.040 60.275 61.300 0.026 0.000 1.418 371 I CB 0.836 38.860 38.000 0.041 0.000 1.394 371 I HN 0.232 nan 8.210 nan 0.000 0.552 372 P HA 0.097 nan 4.420 nan 0.000 0.271 372 P C -0.968 176.346 177.300 0.024 0.000 1.218 372 P CA -0.400 62.715 63.100 0.024 0.000 0.780 372 P CB 0.499 32.216 31.700 0.027 0.000 0.901 373 D N 0.683 121.089 120.400 0.010 0.000 2.423 373 D HA 0.141 4.781 4.640 -0.000 0.000 0.255 373 D C 1.206 177.490 176.300 -0.025 0.000 1.174 373 D CA -0.531 53.466 54.000 -0.005 0.000 1.008 373 D CB 0.408 41.204 40.800 -0.006 0.000 1.101 373 D HN 0.292 nan 8.370 nan 0.000 0.516 374 A N 0.452 123.238 122.820 -0.057 0.000 1.927 374 A HA -0.223 4.097 4.320 -0.000 0.000 0.220 374 A C 2.143 179.698 177.584 -0.048 0.000 1.185 374 A CA 2.732 54.725 52.037 -0.074 0.000 0.639 374 A CB -1.371 17.569 19.000 -0.100 0.000 0.820 374 A HN 0.721 nan 8.150 nan 0.000 0.451 375 T N -0.399 114.134 114.554 -0.035 0.000 2.708 375 T HA -0.029 4.321 4.350 -0.000 0.000 0.266 375 T C 1.999 176.689 174.700 -0.015 0.000 1.037 375 T CA 1.455 63.540 62.100 -0.024 0.000 1.146 375 T CB -0.767 68.090 68.868 -0.018 0.000 0.865 375 T HN 0.606 nan 8.240 nan 0.000 0.435 376 G N 1.601 110.396 108.800 -0.009 0.000 2.418 376 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.217 376 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.217 376 G C 1.719 176.623 174.900 0.006 0.000 1.158 376 G CA 0.403 45.504 45.100 0.002 0.000 0.771 376 G HN 0.419 nan 8.290 nan 0.000 0.545 377 R N -0.509 119.989 120.500 -0.003 0.000 2.091 377 R HA -0.056 4.284 4.340 -0.000 0.000 0.238 377 R C 2.489 178.783 176.300 -0.010 0.000 1.136 377 R CA 1.252 57.349 56.100 -0.004 0.000 0.959 377 R CB -0.630 29.656 30.300 -0.023 0.000 0.856 377 R HN 0.382 nan 8.270 nan 0.000 0.437 378 L N 1.732 122.942 121.223 -0.022 0.000 2.042 378 L HA -0.185 4.155 4.340 -0.000 0.000 0.210 378 L C 1.923 178.790 176.870 -0.006 0.000 1.076 378 L CA 1.833 56.657 54.840 -0.026 0.000 0.749 378 L CB -0.348 41.691 42.059 -0.034 0.000 0.893 378 L HN 0.145 nan 8.230 nan 0.000 0.432 379 E N -0.383 119.820 120.200 0.005 0.000 2.058 379 E HA -0.250 4.100 4.350 -0.000 0.000 0.194 379 E C 2.246 178.872 176.600 0.042 0.000 0.997 379 E CA 1.877 58.288 56.400 0.019 0.000 0.801 379 E CB -0.272 29.439 29.700 0.019 0.000 0.746 379 E HN 0.591 nan 8.360 nan 0.000 0.450 380 I N 0.961 121.563 120.570 0.054 0.000 2.226 380 I HA -0.295 3.874 4.170 -0.000 0.000 0.245 380 I C 2.342 178.543 176.117 0.140 0.000 1.100 380 I CA 1.025 62.386 61.300 0.103 0.000 1.374 380 I CB -0.208 37.840 38.000 0.081 0.000 1.057 380 I HN 0.091 nan 8.210 nan 0.000 0.413 381 L N -0.179 121.090 121.223 0.077 0.000 2.093 381 L HA -0.224 4.115 4.340 -0.000 0.000 0.208 381 L C 2.588 179.506 176.870 0.081 0.000 1.085 381 L CA 1.338 56.226 54.840 0.080 0.000 0.755 381 L CB -0.569 41.494 42.059 0.006 0.000 0.904 381 L HN 0.283 nan 8.230 nan 0.000 0.435 382 Q N -0.124 119.703 119.800 0.045 0.000 2.119 382 Q HA -0.155 4.185 4.340 -0.000 0.000 0.201 382 Q C 2.343 178.367 176.000 0.040 0.000 0.972 382 Q CA 1.351 57.172 55.803 0.030 0.000 0.847 382 Q CB -0.037 28.708 28.738 0.011 0.000 0.903 382 Q HN 0.516 nan 8.270 nan 0.000 0.433 383 I N -0.448 120.154 120.570 0.054 0.000 2.252 383 I HA -0.269 3.901 4.170 -0.000 0.000 0.245 383 I C 1.843 177.937 176.117 -0.037 0.000 1.102 383 I CA 1.182 62.493 61.300 0.018 0.000 1.385 383 I CB -0.101 37.917 38.000 0.030 0.000 1.064 383 I HN 0.230 nan 8.210 nan 0.000 0.414 384 H N -0.048 119.040 119.070 0.031 0.000 2.395 384 H HA -0.098 4.458 4.556 -0.000 0.000 0.299 384 H C 2.141 177.499 175.328 0.051 0.000 1.070 384 H CA 1.913 57.986 56.048 0.042 0.000 1.356 384 H CB -0.039 29.758 29.762 0.058 0.000 1.401 384 H HN 0.343 nan 8.280 nan 0.000 0.524 385 T N -1.353 113.285 114.554 0.140 0.000 3.107 385 T HA -0.006 4.344 4.350 -0.000 0.000 0.249 385 T C 1.577 176.312 174.700 0.058 0.000 1.096 385 T CA 0.063 62.234 62.100 0.117 0.000 1.012 385 T CB -0.050 68.902 68.868 0.141 0.000 0.977 385 T HN 0.488 nan 8.240 nan 0.000 0.527 386 K N 1.649 122.063 120.400 0.024 0.000 2.281 386 K HA -0.061 4.259 4.320 -0.000 0.000 0.203 386 K C 1.371 177.973 176.600 0.004 0.000 1.046 386 K CA 1.274 57.565 56.287 0.006 0.000 0.938 386 K CB -0.227 32.266 32.500 -0.011 0.000 0.737 386 K HN 0.255 nan 8.250 nan 0.000 0.458 387 N N -0.053 118.650 118.700 0.005 0.000 2.220 387 N HA 0.138 4.877 4.740 -0.000 0.000 0.195 387 N C -0.012 175.510 175.510 0.020 0.000 1.123 387 N CA 0.106 53.159 53.050 0.004 0.000 0.874 387 N CB 0.374 38.855 38.487 -0.010 0.000 0.995 387 N HN 0.208 nan 8.380 nan 0.000 0.498 388 M N 1.164 120.788 119.600 0.041 0.000 2.250 388 M HA 0.153 4.633 4.480 -0.000 0.000 0.344 388 M C 0.137 176.469 176.300 0.053 0.000 1.150 388 M CA -0.082 55.252 55.300 0.057 0.000 1.147 388 M CB 0.834 33.493 32.600 0.098 0.000 1.498 388 M HN -0.371 nan 8.290 nan 0.000 0.461 389 K N 4.555 124.985 120.400 0.049 0.000 2.267 389 K HA 0.470 4.790 4.320 -0.000 0.000 0.282 389 K C -0.860 175.780 176.600 0.067 0.000 1.078 389 K CA 0.042 56.356 56.287 0.044 0.000 0.903 389 K CB 0.027 32.544 32.500 0.029 0.000 1.111 389 K HN 0.622 nan 8.250 nan 0.000 0.475 390 L N 1.282 122.546 121.223 0.068 0.000 2.334 390 L HA 0.606 4.946 4.340 -0.000 0.000 0.270 390 L C 0.423 177.328 176.870 0.058 0.000 1.018 390 L CA -1.153 53.739 54.840 0.087 0.000 0.811 390 L CB 1.679 43.786 42.059 0.081 0.000 1.271 390 L HN 0.539 nan 8.230 nan 0.000 0.443 391 A N 0.249 123.108 122.820 0.064 0.000 2.269 391 A HA 0.308 4.627 4.320 -0.000 0.000 0.319 391 A C 0.302 177.900 177.584 0.023 0.000 1.110 391 A CA -0.421 51.641 52.037 0.042 0.000 0.847 391 A CB 0.584 19.613 19.000 0.049 0.000 1.161 391 A HN 0.853 nan 8.150 nan 0.000 0.497 392 D N 0.456 120.865 120.400 0.015 0.000 2.133 392 D HA -0.202 4.438 4.640 -0.000 0.000 0.192 392 D C 1.337 177.636 176.300 -0.001 0.000 1.001 392 D CA 2.321 56.323 54.000 0.004 0.000 0.844 392 D CB -0.016 40.787 40.800 0.004 0.000 0.944 392 D HN 0.742 nan 8.370 nan 0.000 0.447 393 D N 0.289 120.693 120.400 0.007 0.000 2.312 393 D HA -0.093 4.546 4.640 -0.000 0.000 0.211 393 D C 0.344 176.638 176.300 -0.009 0.000 0.964 393 D CA 0.102 54.104 54.000 0.004 0.000 0.877 393 D CB -0.477 40.333 40.800 0.017 0.000 0.924 393 D HN 0.043 nan 8.370 nan 0.000 0.515 394 V N 1.760 121.664 119.914 -0.016 0.000 2.425 394 V HA 0.014 4.134 4.120 -0.000 0.000 0.276 394 V C 0.085 176.103 176.094 -0.126 0.000 1.017 394 V CA 0.042 62.294 62.300 -0.081 0.000 1.062 394 V CB 0.214 31.990 31.823 -0.079 0.000 0.997 394 V HN 0.083 nan 8.190 nan 0.000 0.476 395 D N 4.688 124.999 120.400 -0.148 0.000 2.427 395 D HA 0.324 4.964 4.640 -0.000 0.000 0.226 395 D C 0.790 176.970 176.300 -0.200 0.000 1.076 395 D CA -0.334 53.585 54.000 -0.135 0.000 0.849 395 D CB 1.391 42.138 40.800 -0.087 0.000 1.052 395 D HN 0.367 nan 8.370 nan 0.000 0.515 396 L N 2.572 123.673 121.223 -0.203 0.000 2.141 396 L HA -0.038 4.302 4.340 -0.000 0.000 0.209 396 L C 2.184 178.965 176.870 -0.149 0.000 1.094 396 L CA 0.697 55.405 54.840 -0.221 0.000 0.763 396 L CB -0.110 41.846 42.059 -0.172 0.000 0.908 396 L HN 0.471 nan 8.230 nan 0.000 0.437 397 E N -0.076 120.059 120.200 -0.108 0.000 2.085 397 E HA -0.309 4.041 4.350 -0.000 0.000 0.194 397 E C 2.153 178.702 176.600 -0.085 0.000 0.994 397 E CA 1.498 57.849 56.400 -0.083 0.000 0.801 397 E CB 0.028 29.690 29.700 -0.063 0.000 0.743 397 E HN 0.337 nan 8.360 nan 0.000 0.453 398 Q N 0.584 120.330 119.800 -0.090 0.000 2.050 398 Q HA -0.138 4.202 4.340 -0.000 0.000 0.202 398 Q C 2.091 178.037 176.000 -0.089 0.000 0.980 398 Q CA 1.542 57.298 55.803 -0.079 0.000 0.840 398 Q CB -0.289 28.407 28.738 -0.070 0.000 0.898 398 Q HN 0.121 nan 8.270 nan 0.000 0.424 399 V N 0.839 120.678 119.914 -0.124 0.000 2.407 399 V HA -0.245 3.875 4.120 -0.000 0.000 0.248 399 V C 2.312 178.334 176.094 -0.120 0.000 1.055 399 V CA 1.664 63.890 62.300 -0.123 0.000 1.049 399 V CB -1.404 30.305 31.823 -0.189 0.000 0.662 399 V HN 0.501 nan 8.190 nan 0.000 0.455 400 A N 0.604 123.356 122.820 -0.114 0.000 1.908 400 A HA -0.236 4.084 4.320 -0.000 0.000 0.218 400 A C 2.091 179.610 177.584 -0.107 0.000 1.181 400 A CA 2.119 54.096 52.037 -0.100 0.000 0.627 400 A CB -0.614 18.337 19.000 -0.081 0.000 0.818 400 A HN 0.593 nan 8.150 nan 0.000 0.445 401 N N -0.156 118.484 118.700 -0.100 0.000 2.270 401 N HA -0.088 4.651 4.740 -0.000 0.000 0.181 401 N C 1.370 176.822 175.510 -0.096 0.000 1.016 401 N CA 1.225 54.213 53.050 -0.103 0.000 0.870 401 N CB -0.328 38.111 38.487 -0.080 0.000 0.979 401 N HN 0.657 nan 8.380 nan 0.000 0.431 402 E N -0.050 120.101 120.200 -0.083 0.000 2.511 402 E HA -0.009 4.341 4.350 -0.000 0.000 0.196 402 E C 0.008 176.555 176.600 -0.088 0.000 1.066 402 E CA 0.428 56.792 56.400 -0.060 0.000 0.871 402 E CB 0.109 29.781 29.700 -0.046 0.000 0.863 402 E HN 0.330 nan 8.360 nan 0.000 0.520 403 T N -2.596 111.865 114.554 -0.155 0.000 3.315 403 T HA 0.177 4.527 4.350 -0.000 0.000 0.275 403 T C 0.537 175.255 174.700 0.031 0.000 1.598 403 T CA -0.471 61.454 62.100 -0.292 0.000 1.368 403 T CB 0.089 68.631 68.868 -0.544 0.000 1.079 403 T HN 0.137 nan 8.240 nan 0.000 0.703 404 H N 1.974 121.080 119.070 0.061 0.000 2.319 404 H HA 0.003 4.559 4.556 0.000 0.000 0.299 404 H C 2.303 177.699 175.328 0.112 0.000 1.092 404 H CA 1.603 57.696 56.048 0.073 0.000 1.302 404 H CB 0.020 29.811 29.762 0.048 0.000 1.373 404 H HN 0.625 nan 8.280 nan 0.000 0.497 405 G N -1.717 107.288 108.800 0.341 0.000 3.088 405 G HA2 -0.029 3.931 3.960 -0.000 0.000 0.217 405 G HA3 -0.029 3.931 3.960 -0.000 0.000 0.217 405 G C -0.464 174.509 174.900 0.122 0.000 1.159 405 G CA -0.246 44.957 45.100 0.171 0.000 0.760 405 G HN 0.325 nan 8.290 nan 0.000 0.550 406 H N -0.009 119.086 119.070 0.042 0.000 2.683 406 H HA 0.395 4.951 4.556 -0.000 0.000 0.339 406 H C 0.659 175.995 175.328 0.014 0.000 1.081 406 H CA -0.186 55.873 56.048 0.018 0.000 1.432 406 H CB 1.610 31.379 29.762 0.011 0.000 1.462 406 H HN 0.107 nan 8.280 nan 0.000 0.557 407 V N 0.550 120.515 119.914 0.085 0.000 3.193 407 V HA 0.568 4.687 4.120 -0.000 0.000 0.320 407 V C 1.510 177.632 176.094 0.047 0.000 1.112 407 V CA -0.168 62.164 62.300 0.053 0.000 1.026 407 V CB 1.306 33.142 31.823 0.022 0.000 1.128 407 V HN 0.810 nan 8.190 nan 0.000 0.452 408 G N 0.025 108.844 108.800 0.032 0.000 2.469 408 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.219 408 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.219 408 G C 1.482 176.365 174.900 -0.028 0.000 1.150 408 G CA 1.573 46.681 45.100 0.014 0.000 0.763 408 G HN 1.499 nan 8.290 nan 0.000 0.561 409 A N 0.919 123.735 122.820 -0.008 0.000 1.940 409 A HA -0.082 4.238 4.320 -0.000 0.000 0.219 409 A C 2.099 179.664 177.584 -0.032 0.000 1.176 409 A CA 2.115 54.140 52.037 -0.020 0.000 0.631 409 A CB -0.400 18.598 19.000 -0.003 0.000 0.814 409 A HN 0.323 nan 8.150 nan 0.000 0.446 410 D N -0.050 120.342 120.400 -0.013 0.000 2.144 410 D HA -0.084 4.556 4.640 -0.000 0.000 0.200 410 D C 1.937 178.285 176.300 0.080 0.000 0.978 410 D CA 1.012 55.020 54.000 0.013 0.000 0.833 410 D CB -0.226 40.550 40.800 -0.041 0.000 0.961 410 D HN 0.481 nan 8.370 nan 0.000 0.470 411 L N 0.730 121.979 121.223 0.043 0.000 2.109 411 L HA -0.052 4.287 4.340 -0.000 0.000 0.207 411 L C 2.621 179.400 176.870 -0.152 0.000 1.086 411 L CA 0.809 55.645 54.840 -0.008 0.000 0.760 411 L CB -0.386 41.659 42.059 -0.023 0.000 0.910 411 L HN -0.058 nan 8.230 nan 0.000 0.437 412 A N 0.355 122.972 122.820 -0.338 0.000 1.883 412 A HA -0.214 4.106 4.320 -0.000 0.000 0.217 412 A C 2.533 180.034 177.584 -0.138 0.000 1.186 412 A CA 1.943 53.681 52.037 -0.499 0.000 0.624 412 A CB -0.742 18.001 19.000 -0.429 0.000 0.822 412 A HN 0.395 nan 8.150 nan 0.000 0.444 413 A N -0.694 122.085 122.820 -0.069 0.000 1.898 413 A HA -0.006 4.313 4.320 -0.000 0.000 0.216 413 A C 2.146 179.726 177.584 -0.007 0.000 1.181 413 A CA 1.614 53.639 52.037 -0.019 0.000 0.620 413 A CB -0.633 18.360 19.000 -0.012 0.000 0.819 413 A HN 0.674 nan 8.150 nan 0.000 0.442 414 L N -0.261 120.968 121.223 0.009 0.000 2.042 414 L HA -0.218 4.122 4.340 -0.000 0.000 0.210 414 L C 2.434 179.289 176.870 -0.026 0.000 1.076 414 L CA 2.324 57.177 54.840 0.022 0.000 0.749 414 L CB -0.575 41.532 42.059 0.080 0.000 0.893 414 L HN 0.469 nan 8.230 nan 0.000 0.432 415 C N -1.844 117.460 119.300 0.006 0.000 2.435 415 C HA -0.083 4.377 4.460 -0.000 0.000 0.279 415 C C 3.139 178.098 174.990 -0.051 0.000 1.321 415 C CA 1.032 60.051 59.018 0.001 0.000 1.752 415 C CB -0.933 26.883 27.740 0.127 0.000 1.959 415 C HN 0.684 nan 8.230 nan 0.000 0.500 416 S N 0.072 115.764 115.700 -0.014 0.000 2.368 416 S HA -0.119 4.351 4.470 -0.000 0.000 0.224 416 S C 1.971 176.560 174.600 -0.017 0.000 1.029 416 S CA 1.227 59.425 58.200 -0.003 0.000 0.988 416 S CB -0.233 62.976 63.200 0.016 0.000 0.838 416 S HN 0.567 nan 8.310 nan 0.000 0.462 417 E N 0.853 121.046 120.200 -0.012 0.000 2.152 417 E HA 0.037 4.387 4.350 -0.000 0.000 0.192 417 E C 2.216 178.839 176.600 0.039 0.000 0.983 417 E CA 0.830 57.260 56.400 0.050 0.000 0.818 417 E CB -0.333 29.415 29.700 0.079 0.000 0.758 417 E HN 0.544 nan 8.360 nan 0.000 0.467 418 A N 1.401 124.129 122.820 -0.154 0.000 1.902 418 A HA -0.091 4.229 4.320 -0.000 0.000 0.217 418 A C 2.386 179.827 177.584 -0.239 0.000 1.181 418 A CA 1.884 53.709 52.037 -0.353 0.000 0.623 418 A CB -0.447 17.883 19.000 -1.116 0.000 0.818 418 A HN 0.258 nan 8.150 nan 0.000 0.443 419 A N -0.751 121.962 122.820 -0.177 0.000 1.969 419 A HA 0.052 4.372 4.320 -0.000 0.000 0.218 419 A C 2.167 179.713 177.584 -0.062 0.000 1.169 419 A CA 1.317 53.298 52.037 -0.093 0.000 0.635 419 A CB -0.495 18.475 19.000 -0.050 0.000 0.810 419 A HN 0.490 nan 8.150 nan 0.000 0.445 420 L N -1.086 120.111 121.223 -0.044 0.000 2.093 420 L HA -0.198 4.141 4.340 -0.000 0.000 0.208 420 L C 2.758 179.576 176.870 -0.087 0.000 1.085 420 L CA 1.737 56.554 54.840 -0.038 0.000 0.755 420 L CB -0.174 41.888 42.059 0.005 0.000 0.904 420 L HN 0.482 nan 8.230 nan 0.000 0.435 421 Q N -0.228 119.510 119.800 -0.103 0.000 2.084 421 Q HA -0.188 4.152 4.340 -0.000 0.000 0.202 421 Q C 2.086 177.987 176.000 -0.165 0.000 0.978 421 Q CA 2.050 57.724 55.803 -0.214 0.000 0.844 421 Q CB -0.226 28.402 28.738 -0.183 0.000 0.898 421 Q HN 0.527 nan 8.270 nan 0.000 0.426 422 A N -0.212 122.545 122.820 -0.105 0.000 1.969 422 A HA -0.106 4.214 4.320 -0.000 0.000 0.218 422 A C 2.072 179.615 177.584 -0.069 0.000 1.169 422 A CA 1.223 53.217 52.037 -0.073 0.000 0.635 422 A CB -0.604 18.369 19.000 -0.046 0.000 0.810 422 A HN 0.470 nan 8.150 nan 0.000 0.445 423 I N -1.114 119.414 120.570 -0.070 0.000 2.252 423 I HA -0.232 3.938 4.170 -0.000 0.000 0.245 423 I C 2.740 178.810 176.117 -0.078 0.000 1.102 423 I CA 1.176 62.439 61.300 -0.062 0.000 1.385 423 I CB -0.255 37.715 38.000 -0.050 0.000 1.064 423 I HN 0.266 nan 8.210 nan 0.000 0.414 424 R N 0.725 121.157 120.500 -0.113 0.000 2.105 424 R HA -0.173 4.167 4.340 -0.000 0.000 0.239 424 R C 2.181 178.405 176.300 -0.126 0.000 1.135 424 R CA 1.297 57.314 56.100 -0.137 0.000 0.967 424 R CB -0.131 30.039 30.300 -0.216 0.000 0.861 424 R HN 0.308 nan 8.270 nan 0.000 0.442 425 K N -0.135 120.192 120.400 -0.121 0.000 2.283 425 K HA -0.122 4.197 4.320 -0.000 0.000 0.202 425 K C 1.448 178.008 176.600 -0.065 0.000 1.048 425 K CA 0.929 57.160 56.287 -0.094 0.000 0.948 425 K CB 0.136 32.586 32.500 -0.083 0.000 0.742 425 K HN -0.143 nan 8.250 nan 0.000 0.458 426 K N -0.063 120.301 120.400 -0.060 0.000 2.372 426 K HA 0.173 4.492 4.320 -0.000 0.000 0.200 426 K C 1.312 177.886 176.600 -0.043 0.000 1.022 426 K CA -0.008 56.253 56.287 -0.044 0.000 1.125 426 K CB 0.322 32.800 32.500 -0.037 0.000 0.855 426 K HN -0.075 nan 8.250 nan 0.000 0.524 427 M N 1.547 121.116 119.600 -0.052 0.000 2.080 427 M HA -0.188 4.292 4.480 -0.000 0.000 0.260 427 M C 1.036 177.314 176.300 -0.037 0.000 1.068 427 M CA 1.774 57.046 55.300 -0.047 0.000 1.109 427 M CB -0.763 31.802 32.600 -0.057 0.000 1.342 427 M HN 0.317 nan 8.290 nan 0.000 0.405 428 D N -0.624 119.754 120.400 -0.036 0.000 2.263 428 D HA -0.159 4.480 4.640 -0.000 0.000 0.208 428 D C 1.597 177.883 176.300 -0.024 0.000 0.971 428 D CA 0.965 54.947 54.000 -0.029 0.000 0.867 428 D CB -0.423 40.361 40.800 -0.028 0.000 0.929 428 D HN 0.335 nan 8.370 nan 0.000 0.492 429 L N 0.025 121.233 121.223 -0.024 0.000 2.591 429 L HA 0.258 4.598 4.340 -0.000 0.000 0.228 429 L C 0.810 177.668 176.870 -0.020 0.000 1.133 429 L CA 0.349 55.177 54.840 -0.020 0.000 0.880 429 L CB -0.019 42.028 42.059 -0.020 0.000 1.033 429 L HN -0.048 nan 8.230 nan 0.000 0.450 430 I N -1.207 119.349 120.570 -0.023 0.000 2.569 430 I HA 0.389 4.558 4.170 -0.000 0.000 0.296 430 I C -0.976 175.128 176.117 -0.021 0.000 1.028 430 I CA -0.551 60.736 61.300 -0.022 0.000 1.082 430 I CB 2.275 40.260 38.000 -0.025 0.000 1.264 430 I HN -0.165 nan 8.210 nan 0.000 0.429 431 D N 2.830 123.219 120.400 -0.018 0.000 2.732 431 D HA 0.314 4.953 4.640 -0.000 0.000 0.229 431 D C 0.110 176.400 176.300 -0.016 0.000 1.152 431 D CA -0.528 53.462 54.000 -0.017 0.000 0.854 431 D CB 2.416 43.206 40.800 -0.015 0.000 1.590 431 D HN 0.271 nan 8.370 nan 0.000 0.468 432 L N 1.997 123.210 121.223 -0.016 0.000 2.456 432 L HA 0.058 4.398 4.340 -0.000 0.000 0.224 432 L C 1.457 178.320 176.870 -0.012 0.000 1.148 432 L CA 1.600 56.431 54.840 -0.014 0.000 0.825 432 L CB -0.126 41.924 42.059 -0.014 0.000 0.937 432 L HN 0.431 nan 8.230 nan 0.000 0.450 433 E N -0.365 119.828 120.200 -0.012 0.000 2.127 433 E HA 0.010 4.360 4.350 -0.000 0.000 0.191 433 E C 0.164 176.758 176.600 -0.010 0.000 0.964 433 E CA 0.205 56.599 56.400 -0.010 0.000 0.832 433 E CB -0.365 29.329 29.700 -0.010 0.000 0.790 433 E HN 0.615 nan 8.360 nan 0.000 0.465 434 D N 1.910 122.304 120.400 -0.011 0.000 2.449 434 D HA -0.083 4.557 4.640 -0.000 0.000 0.236 434 D C 0.860 177.153 176.300 -0.011 0.000 1.149 434 D CA 0.086 54.080 54.000 -0.010 0.000 0.878 434 D CB 1.619 42.412 40.800 -0.011 0.000 1.198 434 D HN 0.016 nan 8.370 nan 0.000 0.446 435 E N 0.985 121.179 120.200 -0.010 0.000 2.051 435 E HA -0.143 4.207 4.350 -0.000 0.000 0.192 435 E C 0.254 176.847 176.600 -0.012 0.000 0.991 435 E CA 1.125 57.519 56.400 -0.011 0.000 0.799 435 E CB 0.252 29.946 29.700 -0.010 0.000 0.748 435 E HN 0.713 nan 8.360 nan 0.000 0.449 436 T N -0.958 113.589 114.554 -0.012 0.000 2.908 436 T HA 0.510 4.860 4.350 -0.000 0.000 0.290 436 T C -0.037 174.655 174.700 -0.013 0.000 1.034 436 T CA -0.999 61.094 62.100 -0.013 0.000 1.010 436 T CB 1.777 70.638 68.868 -0.013 0.000 1.068 436 T HN -0.080 nan 8.240 nan 0.000 0.481 437 I N 2.164 122.726 120.570 -0.013 0.000 2.428 437 I HA 0.232 4.401 4.170 -0.000 0.000 0.289 437 I C 0.945 177.054 176.117 -0.013 0.000 1.019 437 I CA -0.666 60.626 61.300 -0.014 0.000 1.351 437 I CB 0.869 38.860 38.000 -0.015 0.000 1.412 437 I HN 0.870 nan 8.210 nan 0.000 0.513 438 D N 4.278 124.671 120.400 -0.013 0.000 2.525 438 D HA -0.016 4.624 4.640 -0.000 0.000 0.235 438 D C 0.890 177.183 176.300 -0.011 0.000 1.137 438 D CA 0.226 54.219 54.000 -0.012 0.000 0.868 438 D CB 1.415 42.208 40.800 -0.012 0.000 1.180 438 D HN 0.682 nan 8.370 nan 0.000 0.465 439 A N 4.183 126.996 122.820 -0.011 0.000 1.877 439 A HA -0.235 4.085 4.320 -0.000 0.000 0.216 439 A C 1.930 179.509 177.584 -0.009 0.000 1.186 439 A CA 1.882 53.913 52.037 -0.010 0.000 0.620 439 A CB -0.432 18.562 19.000 -0.009 0.000 0.822 439 A HN 0.726 nan 8.150 nan 0.000 0.443 440 E N 0.307 120.501 120.200 -0.009 0.000 2.058 440 E HA -0.150 4.200 4.350 -0.000 0.000 0.194 440 E C 1.728 178.323 176.600 -0.009 0.000 0.997 440 E CA 1.955 58.351 56.400 -0.008 0.000 0.801 440 E CB -0.650 29.046 29.700 -0.008 0.000 0.746 440 E HN 0.247 nan 8.360 nan 0.000 0.450 441 V N 0.464 120.372 119.914 -0.011 0.000 2.332 441 V HA -0.282 3.838 4.120 -0.000 0.000 0.248 441 V C 2.532 178.619 176.094 -0.012 0.000 1.055 441 V CA 2.095 64.387 62.300 -0.012 0.000 1.038 441 V CB -0.573 31.241 31.823 -0.015 0.000 0.651 441 V HN 0.318 nan 8.190 nan 0.000 0.450 442 M N 0.765 120.359 119.600 -0.011 0.000 2.117 442 M HA -0.131 4.349 4.480 -0.000 0.000 0.262 442 M C 1.881 178.176 176.300 -0.007 0.000 1.065 442 M CA 1.802 57.096 55.300 -0.010 0.000 1.114 442 M CB -0.551 32.042 32.600 -0.011 0.000 1.361 442 M HN 0.398 nan 8.290 nan 0.000 0.408 443 N N -0.823 117.873 118.700 -0.006 0.000 2.250 443 N HA -0.057 4.683 4.740 -0.000 0.000 0.181 443 N C 1.705 177.213 175.510 -0.002 0.000 1.017 443 N CA 1.564 54.612 53.050 -0.004 0.000 0.866 443 N CB -0.869 37.615 38.487 -0.004 0.000 0.985 443 N HN 0.490 nan 8.380 nan 0.000 0.429 444 S N 0.551 116.249 115.700 -0.004 0.000 2.507 444 S HA 0.006 4.476 4.470 -0.000 0.000 0.235 444 S C 0.846 175.445 174.600 -0.001 0.000 0.988 444 S CA -0.011 58.188 58.200 -0.002 0.000 0.944 444 S CB -0.659 62.538 63.200 -0.005 0.000 0.762 444 S HN 0.199 nan 8.310 nan 0.000 0.526 445 L N 2.518 123.740 121.223 -0.002 0.000 2.565 445 L HA 0.389 4.729 4.340 -0.000 0.000 0.275 445 L C 0.409 177.284 176.870 0.008 0.000 1.137 445 L CA -0.229 54.610 54.840 -0.001 0.000 0.915 445 L CB -0.098 41.958 42.059 -0.005 0.000 1.232 445 L HN 0.381 nan 8.230 nan 0.000 0.473 446 A N 3.996 126.824 122.820 0.013 0.000 2.386 446 A HA 0.711 5.031 4.320 -0.000 0.000 0.311 446 A C -0.642 176.965 177.584 0.039 0.000 1.068 446 A CA -0.550 51.505 52.037 0.030 0.000 0.743 446 A CB 1.677 20.696 19.000 0.031 0.000 1.258 446 A HN 0.291 nan 8.150 nan 0.000 0.429 447 V N 2.652 122.607 119.914 0.068 0.000 2.432 447 V HA 0.454 4.574 4.120 -0.000 0.000 0.271 447 V C 1.002 177.192 176.094 0.161 0.000 1.046 447 V CA 0.210 62.565 62.300 0.092 0.000 0.945 447 V CB 0.675 32.563 31.823 0.107 0.000 0.992 447 V HN 1.072 nan 8.190 nan 0.000 0.471 448 T N 2.258 116.895 114.554 0.138 0.000 2.912 448 T HA 0.402 4.752 4.350 -0.000 0.000 0.280 448 T C 0.930 175.786 174.700 0.261 0.000 0.989 448 T CA -0.599 61.592 62.100 0.151 0.000 0.995 448 T CB 1.291 70.209 68.868 0.084 0.000 1.077 448 T HN 0.389 nan 8.240 nan 0.000 0.531 449 M N 0.887 120.604 119.600 0.195 0.000 2.108 449 M HA -0.027 4.452 4.480 -0.000 0.000 0.261 449 M C 1.734 178.169 176.300 0.225 0.000 1.066 449 M CA 1.929 57.350 55.300 0.202 0.000 1.107 449 M CB -1.347 31.303 32.600 0.083 0.000 1.356 449 M HN 0.899 nan 8.290 nan 0.000 0.406 450 D N 0.061 120.553 120.400 0.154 0.000 2.133 450 D HA -0.219 4.420 4.640 -0.000 0.000 0.195 450 D C 1.418 177.820 176.300 0.170 0.000 0.997 450 D CA 1.856 55.938 54.000 0.137 0.000 0.840 450 D CB -0.263 40.589 40.800 0.087 0.000 0.947 450 D HN 0.474 nan 8.370 nan 0.000 0.452 451 D N -0.787 119.698 120.400 0.142 0.000 2.123 451 D HA -0.189 4.450 4.640 -0.000 0.000 0.196 451 D C 2.107 178.463 176.300 0.092 0.000 0.992 451 D CA 0.781 54.834 54.000 0.089 0.000 0.833 451 D CB -0.560 40.224 40.800 -0.027 0.000 0.954 451 D HN 0.347 nan 8.370 nan 0.000 0.455 452 F N 1.123 121.137 119.950 0.106 0.000 2.171 452 F HA -0.057 4.470 4.527 -0.001 0.000 0.300 452 F C 2.672 178.511 175.800 0.066 0.000 1.090 452 F CA 0.913 58.959 58.000 0.075 0.000 1.293 452 F CB -0.078 38.944 39.000 0.036 0.000 1.013 452 F HN -0.192 nan 8.300 nan 0.000 0.486 453 R N -1.386 119.267 120.500 0.255 0.000 2.115 453 R HA -0.220 4.119 4.340 -0.000 0.000 0.230 453 R C 2.042 178.420 176.300 0.129 0.000 1.111 453 R CA 1.542 57.736 56.100 0.156 0.000 0.976 453 R CB -0.676 29.701 30.300 0.130 0.000 0.870 453 R HN 0.402 nan 8.270 nan 0.000 0.445 454 W N 0.992 122.308 121.300 0.028 0.000 2.381 454 W HA -0.116 4.545 4.660 0.000 0.000 0.301 454 W C 2.175 178.690 176.519 -0.007 0.000 1.205 454 W CA 1.694 59.041 57.345 0.002 0.000 1.285 454 W CB -0.271 29.180 29.460 -0.015 0.000 1.133 454 W HN 0.069 nan 8.180 nan 0.000 0.521 455 A N 0.125 122.979 122.820 0.057 0.000 1.908 455 A HA -0.202 4.117 4.320 -0.000 0.000 0.218 455 A C 2.024 179.523 177.584 -0.141 0.000 1.181 455 A CA 1.873 53.855 52.037 -0.092 0.000 0.627 455 A CB -1.073 17.899 19.000 -0.047 0.000 0.818 455 A HN 0.378 nan 8.150 nan 0.000 0.445 456 L N 0.379 121.569 121.223 -0.054 0.000 2.093 456 L HA -0.173 4.167 4.340 -0.000 0.000 0.208 456 L C 2.983 179.795 176.870 -0.097 0.000 1.085 456 L CA 1.582 56.398 54.840 -0.040 0.000 0.755 456 L CB -0.327 41.736 42.059 0.006 0.000 0.904 456 L HN 0.607 nan 8.230 nan 0.000 0.435 457 S N -1.339 114.252 115.700 -0.182 0.000 2.447 457 S HA -0.164 4.306 4.470 -0.000 0.000 0.233 457 S C 1.782 176.218 174.600 -0.273 0.000 1.006 457 S CA 0.671 58.744 58.200 -0.212 0.000 0.957 457 S CB -0.153 62.896 63.200 -0.251 0.000 0.773 457 S HN 0.429 nan 8.310 nan 0.000 0.507 458 Q N 0.829 120.399 119.800 -0.385 0.000 2.402 458 Q HA 0.360 4.700 4.340 -0.000 0.000 0.206 458 Q C 0.907 176.800 176.000 -0.178 0.000 0.919 458 Q CA 0.064 55.652 55.803 -0.358 0.000 0.923 458 Q CB -0.046 28.342 28.738 -0.583 0.000 1.048 458 Q HN 0.524 nan 8.270 nan 0.000 0.515 459 S N 1.144 116.786 115.700 -0.096 0.000 2.596 459 S HA 0.164 4.634 4.470 -0.000 0.000 0.260 459 S C 0.038 174.624 174.600 -0.023 0.000 1.336 459 S CA -0.188 58.018 58.200 0.010 0.000 0.993 459 S CB 0.403 63.732 63.200 0.216 0.000 0.923 459 S HN 0.258 nan 8.310 nan 0.000 0.567 460 N N 0.911 119.559 118.700 -0.088 0.000 2.324 460 N HA 0.400 5.140 4.740 -0.000 0.000 0.285 460 N C -2.970 172.390 175.510 -0.250 0.000 1.076 460 N CA -1.180 51.789 53.050 -0.134 0.000 0.864 460 N CB 1.980 40.411 38.487 -0.095 0.000 1.632 460 N HN 0.383 nan 8.380 nan 0.000 0.478 461 P HA 0.192 nan 4.420 nan 0.000 0.279 461 P C -0.143 177.081 177.300 -0.126 0.000 1.252 461 P CA 0.120 63.107 63.100 -0.190 0.000 0.811 461 P CB 0.761 32.397 31.700 -0.107 0.000 1.035 462 S N 0.000 115.637 115.700 -0.104 0.000 2.498 462 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 462 S CA 0.000 58.164 58.200 -0.061 0.000 1.107 462 S CB 0.000 63.178 63.200 -0.037 0.000 0.593 462 S HN 0.000 nan 8.310 nan 0.000 0.517