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 3mdr_1_A DATA FIRST_RESID 58 DATA SEQUENCE RVLQDVFLDW AKKYGPVVRV NVFHKTSVIV TSPESVKKFL MSTKYNKDSK DATA SEQUENCE MYRALQTVFG ERLFGQGLVS ECNYERWHKQ RRVIDLAFSR SSLVSLMETF DATA SEQUENCE NEKAEQLVEI LEAKADGQTP VSMQDMLTYT AMDILAKAAF GMETSMLLGA DATA SEQUENCE QKPLSQAVKL MLEGITASRN TXXXXXXXKR KQLREVRESI RFLRQVGRDW DATA SEQUENCE VQRRREALKR GEEVPADILT QILKAEEGAQ DDEGLLDNFV TFFIAGHETS DATA SEQUENCE ANHLAFTVME LSRQPEIVAR LQAEVDEVIG SKRYLDFEDL GRLQYLSQVL DATA SEQUENCE KESLRLYPPA WGTFRLLEEE TLIDGVRVPG NTPLLFSTYV MGRMDTYFED DATA SEQUENCE PLTFNPDRFG PGAPKPRFTY FPFSLGHRSC IGQQFAQMEV KVVMAKLLQR DATA SEQUENCE LEFRLVPGQR FGLQEQATLK PLDPVLCTLR PRGW 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 58 R HA 0.000 nan 4.340 nan 0.000 0.208 58 R C 0.000 176.239 176.300 -0.102 0.000 0.893 58 R CA 0.000 56.071 56.100 -0.048 0.000 0.921 58 R CB 0.000 30.267 30.300 -0.055 0.000 0.687 59 V N 0.226 120.047 119.914 -0.155 0.000 3.234 59 V HA 0.403 4.541 4.120 0.030 0.000 0.317 59 V C 1.581 177.444 176.094 -0.384 0.000 1.081 59 V CA -0.891 61.264 62.300 -0.241 0.000 1.037 59 V CB 0.979 32.634 31.823 -0.279 0.000 1.148 59 V HN 0.651 nan 8.190 nan 0.000 0.453 60 L N 0.822 121.760 121.223 -0.475 0.000 2.079 60 L HA -0.112 4.245 4.340 0.030 0.000 0.210 60 L C 2.572 178.792 176.870 -1.083 0.000 1.081 60 L CA 1.896 56.287 54.840 -0.748 0.000 0.752 60 L CB -0.972 40.655 42.059 -0.721 0.000 0.896 60 L HN 0.846 nan 8.230 nan 0.000 0.433 61 Q N -0.308 118.927 119.800 -0.942 0.000 2.135 61 Q HA -0.229 4.129 4.340 0.030 0.000 0.204 61 Q C 1.934 177.677 176.000 -0.428 0.000 0.981 61 Q CA 1.830 57.139 55.803 -0.824 0.000 0.856 61 Q CB -0.559 27.505 28.738 -1.123 0.000 0.902 61 Q HN 0.628 nan 8.270 nan 0.000 0.425 62 D N -0.087 120.101 120.400 -0.353 0.000 2.178 62 D HA -0.099 4.559 4.640 0.030 0.000 0.201 62 D C 1.988 178.141 176.300 -0.245 0.000 0.980 62 D CA 0.699 54.623 54.000 -0.127 0.000 0.842 62 D CB 0.163 40.905 40.800 -0.095 0.000 0.948 62 D HN 0.074 nan 8.370 nan 0.000 0.472 63 V N 0.922 120.555 119.914 -0.468 0.000 2.379 63 V HA -0.190 3.948 4.120 0.030 0.000 0.245 63 V C 2.163 177.821 176.094 -0.727 0.000 1.044 63 V CA 0.996 62.892 62.300 -0.673 0.000 1.036 63 V CB -0.463 30.842 31.823 -0.863 0.000 0.664 63 V HN 0.040 nan 8.190 nan 0.000 0.453 64 F N -0.180 119.410 119.950 -0.599 0.000 2.171 64 F HA -0.113 4.432 4.527 0.030 0.000 0.300 64 F C 2.111 177.809 175.800 -0.170 0.000 1.090 64 F CA 1.082 58.847 58.000 -0.391 0.000 1.293 64 F CB -1.111 37.694 39.000 -0.324 0.000 1.013 64 F HN 0.157 nan 8.300 nan 0.000 0.486 65 L N 0.452 121.708 121.223 0.055 0.000 2.017 65 L HA -0.179 4.179 4.340 0.030 0.000 0.208 65 L C 2.007 178.902 176.870 0.043 0.000 1.073 65 L CA 1.940 56.822 54.840 0.069 0.000 0.745 65 L CB -1.033 41.065 42.059 0.065 0.000 0.894 65 L HN -0.073 nan 8.230 nan 0.000 0.432 66 D N -0.650 119.736 120.400 -0.024 0.000 2.116 66 D HA -0.241 4.416 4.640 0.030 0.000 0.193 66 D C 1.961 178.369 176.300 0.179 0.000 0.998 66 D CA 1.661 55.675 54.000 0.022 0.000 0.836 66 D CB -0.419 40.365 40.800 -0.026 0.000 0.951 66 D HN 0.501 nan 8.370 nan 0.000 0.449 67 W N 1.162 122.519 121.300 0.095 0.000 2.436 67 W HA 0.215 4.893 4.660 0.030 0.000 0.284 67 W C 2.536 179.129 176.519 0.123 0.000 1.225 67 W CA 0.187 57.637 57.345 0.175 0.000 1.271 67 W CB -1.285 28.363 29.460 0.313 0.000 1.114 67 W HN -0.046 nan 8.180 nan 0.000 0.559 68 A N 0.806 123.799 122.820 0.287 0.000 1.902 68 A HA -0.225 4.113 4.320 0.030 0.000 0.217 68 A C 2.058 179.705 177.584 0.105 0.000 1.181 68 A CA 2.075 54.217 52.037 0.175 0.000 0.623 68 A CB -0.662 18.423 19.000 0.142 0.000 0.818 68 A HN 0.262 nan 8.150 nan 0.000 0.443 69 K N -0.610 119.828 120.400 0.064 0.000 2.025 69 K HA -0.115 4.223 4.320 0.030 0.000 0.207 69 K C 2.249 178.814 176.600 -0.059 0.000 1.049 69 K CA 1.650 57.933 56.287 -0.007 0.000 0.933 69 K CB -0.114 32.374 32.500 -0.021 0.000 0.714 69 K HN 0.488 nan 8.250 nan 0.000 0.438 70 K N -0.296 120.027 120.400 -0.128 0.000 2.116 70 K HA -0.088 4.249 4.320 0.030 0.000 0.203 70 K C 0.857 177.221 176.600 -0.392 0.000 1.052 70 K CA 1.212 57.281 56.287 -0.365 0.000 0.952 70 K CB 0.225 32.327 32.500 -0.663 0.000 0.729 70 K HN 0.112 nan 8.250 nan 0.000 0.446 71 Y N -0.500 119.832 120.300 0.054 0.000 2.500 71 Y HA 0.333 4.901 4.550 0.029 0.000 0.246 71 Y C 0.697 176.605 175.900 0.014 0.000 1.146 71 Y CA 0.052 58.159 58.100 0.013 0.000 1.230 71 Y CB 1.262 39.709 38.460 -0.022 0.000 1.214 71 Y HN 0.272 nan 8.280 nan 0.000 0.526 72 G N 0.793 109.674 108.800 0.135 0.000 2.526 72 G HA2 -0.181 3.796 3.960 0.030 0.000 0.250 72 G HA3 -0.181 3.796 3.960 0.030 0.000 0.250 72 G C -2.296 172.661 174.900 0.094 0.000 1.289 72 G CA -0.546 44.608 45.100 0.091 0.000 0.947 72 G HN -0.052 nan 8.290 nan 0.000 0.517 73 P HA 0.308 nan 4.420 nan 0.000 0.241 73 P C 0.155 177.487 177.300 0.052 0.000 1.191 73 P CA 0.674 63.826 63.100 0.088 0.000 0.771 73 P CB 0.379 32.136 31.700 0.094 0.000 0.929 74 V N 0.178 120.112 119.914 0.033 0.000 2.524 74 V HA 0.324 4.462 4.120 0.030 0.000 0.297 74 V C -0.633 175.450 176.094 -0.018 0.000 1.035 74 V CA -0.659 61.635 62.300 -0.011 0.000 0.867 74 V CB 2.713 34.528 31.823 -0.013 0.000 1.004 74 V HN -0.349 nan 8.190 nan 0.000 0.426 75 V N 4.664 124.550 119.914 -0.047 0.000 2.567 75 V HA 0.465 4.603 4.120 0.030 0.000 0.298 75 V C -0.021 176.014 176.094 -0.097 0.000 1.047 75 V CA -0.829 61.443 62.300 -0.046 0.000 0.880 75 V CB 2.073 33.930 31.823 0.056 0.000 1.009 75 V HN 0.888 nan 8.190 nan 0.000 0.429 76 R N 3.661 124.090 120.500 -0.117 0.000 2.401 76 R HA 0.579 4.937 4.340 0.030 0.000 0.299 76 R C -0.493 175.753 176.300 -0.091 0.000 1.064 76 R CA -0.011 56.020 56.100 -0.115 0.000 1.000 76 R CB 0.898 31.131 30.300 -0.112 0.000 0.973 76 R HN 0.737 nan 8.270 nan 0.000 0.438 77 V N 1.200 121.072 119.914 -0.071 0.000 3.130 77 V HA 0.550 4.688 4.120 0.030 0.000 0.310 77 V C -1.122 175.006 176.094 0.057 0.000 1.158 77 V CA -1.296 61.028 62.300 0.040 0.000 1.029 77 V CB 2.471 34.227 31.823 -0.112 0.000 1.057 77 V HN 0.709 nan 8.190 nan 0.000 0.436 78 N N 1.374 120.186 118.700 0.186 0.000 2.422 78 N HA 0.641 5.398 4.740 0.030 0.000 0.266 78 N C -1.014 174.621 175.510 0.208 0.000 1.007 78 N CA -0.093 53.052 53.050 0.159 0.000 0.941 78 N CB 1.834 40.417 38.487 0.161 0.000 1.115 78 N HN 0.802 nan 8.380 nan 0.000 0.492 79 V N 4.091 124.062 119.914 0.095 0.000 2.760 79 V HA 0.451 4.589 4.120 0.030 0.000 0.309 79 V C -0.431 175.597 176.094 -0.110 0.000 1.077 79 V CA -0.613 61.675 62.300 -0.020 0.000 0.910 79 V CB 0.303 32.073 31.823 -0.088 0.000 1.008 79 V HN 0.842 nan 8.190 nan 0.000 0.424 80 F N 7.242 127.179 119.950 -0.022 0.000 3.067 80 F HA -0.236 4.309 4.527 0.030 0.000 0.279 80 F C 1.127 176.537 175.800 -0.650 0.000 0.945 80 F CA 0.909 58.733 58.000 -0.293 0.000 0.948 80 F CB -1.795 37.044 39.000 -0.268 0.000 0.898 80 F HN 1.312 nan 8.300 nan 0.000 0.746 81 H N -1.599 117.589 119.070 0.197 0.000 2.731 81 H HA -0.184 4.389 4.556 0.030 0.000 0.305 81 H C -0.589 174.790 175.328 0.084 0.000 1.132 81 H CA 1.269 57.389 56.048 0.120 0.000 1.148 81 H CB -1.793 28.030 29.762 0.102 0.000 1.379 81 H HN 0.621 nan 8.280 nan 0.000 0.398 82 K N -0.506 119.964 120.400 0.116 0.000 2.426 82 K HA 0.520 4.858 4.320 0.030 0.000 0.251 82 K C -0.159 176.459 176.600 0.030 0.000 0.941 82 K CA -0.588 55.743 56.287 0.074 0.000 0.808 82 K CB 2.448 34.959 32.500 0.017 0.000 1.265 82 K HN 0.243 nan 8.250 nan 0.000 0.432 83 T N 0.466 115.033 114.554 0.021 0.000 2.907 83 T HA 0.294 4.662 4.350 0.030 0.000 0.298 83 T C -0.583 174.105 174.700 -0.020 0.000 1.017 83 T CA 0.298 62.400 62.100 0.002 0.000 1.118 83 T CB 0.481 69.347 68.868 -0.003 0.000 0.948 83 T HN 0.497 nan 8.240 nan 0.000 0.531 84 S N 2.349 118.030 115.700 -0.032 0.000 2.587 84 S HA 0.579 5.067 4.470 0.030 0.000 0.269 84 S C -1.735 172.807 174.600 -0.096 0.000 1.154 84 S CA -0.709 57.468 58.200 -0.037 0.000 0.824 84 S CB 1.372 64.593 63.200 0.034 0.000 1.118 84 S HN 0.556 nan 8.310 nan 0.000 0.462 85 V N 3.499 123.335 119.914 -0.130 0.000 2.350 85 V HA 0.502 4.640 4.120 0.030 0.000 0.285 85 V C 0.096 176.032 176.094 -0.263 0.000 1.014 85 V CA -0.617 61.576 62.300 -0.178 0.000 0.831 85 V CB 1.032 32.757 31.823 -0.164 0.000 1.000 85 V HN 0.798 nan 8.190 nan 0.000 0.433 86 I N 6.135 126.537 120.570 -0.280 0.000 2.471 86 I HA 0.361 4.548 4.170 0.030 0.000 0.286 86 I C -0.552 175.425 176.117 -0.233 0.000 1.079 86 I CA 0.298 61.407 61.300 -0.318 0.000 1.398 86 I CB 0.812 38.589 38.000 -0.371 0.000 1.403 86 I HN 0.379 nan 8.210 nan 0.000 0.530 87 V N 6.617 126.350 119.914 -0.302 0.000 2.378 87 V HA 0.298 4.436 4.120 0.030 0.000 0.288 87 V C 0.626 176.708 176.094 -0.019 0.000 1.016 87 V CA -0.184 62.003 62.300 -0.188 0.000 0.840 87 V CB 1.295 32.928 31.823 -0.315 0.000 0.994 87 V HN 0.864 nan 8.190 nan 0.000 0.431 88 T N -0.855 113.752 114.554 0.089 0.000 3.200 88 T HA 0.173 4.540 4.350 0.030 0.000 0.284 88 T C 0.549 175.396 174.700 0.245 0.000 1.009 88 T CA 0.169 62.389 62.100 0.200 0.000 0.907 88 T CB 0.236 69.240 68.868 0.227 0.000 1.120 88 T HN 0.649 nan 8.240 nan 0.000 0.534 89 S N 1.462 117.269 115.700 0.178 0.000 2.554 89 S HA 0.472 4.960 4.470 0.030 0.000 0.278 89 S C -1.860 172.772 174.600 0.054 0.000 1.242 89 S CA -1.231 57.059 58.200 0.150 0.000 1.051 89 S CB 1.695 64.968 63.200 0.121 0.000 0.986 89 S HN -0.074 nan 8.310 nan 0.000 0.502 90 P HA -0.056 nan 4.420 nan 0.000 0.218 90 P C 0.855 178.117 177.300 -0.063 0.000 1.149 90 P CA 1.125 64.203 63.100 -0.037 0.000 0.817 90 P CB 0.025 31.686 31.700 -0.066 0.000 0.785 91 E N -0.577 119.585 120.200 -0.063 0.000 2.110 91 E HA -0.100 4.268 4.350 0.030 0.000 0.193 91 E C 2.149 178.634 176.600 -0.193 0.000 0.988 91 E CA 1.310 57.625 56.400 -0.142 0.000 0.804 91 E CB -1.035 28.614 29.700 -0.086 0.000 0.745 91 E HN 0.151 nan 8.360 nan 0.000 0.458 92 S N -0.145 115.516 115.700 -0.065 0.000 2.402 92 S HA -0.091 4.397 4.470 0.030 0.000 0.229 92 S C 2.059 176.721 174.600 0.103 0.000 1.021 92 S CA 0.779 58.996 58.200 0.028 0.000 0.974 92 S CB -0.120 63.234 63.200 0.258 0.000 0.800 92 S HN 0.058 nan 8.310 nan 0.000 0.484 93 V N 2.161 122.097 119.914 0.037 0.000 2.343 93 V HA -0.181 3.957 4.120 0.030 0.000 0.247 93 V C 2.408 178.260 176.094 -0.403 0.000 1.051 93 V CA 1.743 63.963 62.300 -0.133 0.000 1.036 93 V CB -0.516 31.229 31.823 -0.130 0.000 0.654 93 V HN 0.450 nan 8.190 nan 0.000 0.451 94 K N 0.580 120.606 120.400 -0.624 0.000 2.097 94 K HA -0.234 4.103 4.320 0.030 0.000 0.205 94 K C 2.293 178.539 176.600 -0.589 0.000 1.050 94 K CA 1.819 57.498 56.287 -1.014 0.000 0.938 94 K CB -0.118 31.481 32.500 -1.501 0.000 0.718 94 K HN 0.452 nan 8.250 nan 0.000 0.442 95 K N -0.421 119.652 120.400 -0.544 0.000 2.057 95 K HA -0.111 4.226 4.320 0.030 0.000 0.206 95 K C 1.652 177.878 176.600 -0.623 0.000 1.050 95 K CA 1.369 57.284 56.287 -0.619 0.000 0.935 95 K CB -0.059 31.908 32.500 -0.889 0.000 0.715 95 K HN 0.063 nan 8.250 nan 0.000 0.439 96 F N 0.677 120.421 119.950 -0.343 0.000 2.446 96 F HA 0.132 4.676 4.527 0.029 0.000 0.292 96 F C 1.827 177.432 175.800 -0.325 0.000 1.096 96 F CA 0.340 58.054 58.000 -0.477 0.000 1.438 96 F CB -0.017 38.745 39.000 -0.398 0.000 1.107 96 F HN -0.089 nan 8.300 nan 0.000 0.546 97 L N -0.913 120.131 121.223 -0.298 0.000 2.249 97 L HA -0.013 4.345 4.340 0.030 0.000 0.207 97 L C 1.837 178.654 176.870 -0.088 0.000 1.090 97 L CA 0.540 55.208 54.840 -0.287 0.000 0.802 97 L CB -0.400 41.364 42.059 -0.492 0.000 0.947 97 L HN 0.082 nan 8.230 nan 0.000 0.453 98 M N -0.767 118.775 119.600 -0.097 0.000 2.618 98 M HA 0.095 4.592 4.480 0.030 0.000 0.240 98 M C 0.662 176.977 176.300 0.025 0.000 1.123 98 M CA 0.446 55.735 55.300 -0.018 0.000 1.060 98 M CB -0.531 32.033 32.600 -0.061 0.000 1.535 98 M HN -0.001 nan 8.290 nan 0.000 0.507 99 S N 0.294 116.035 115.700 0.068 0.000 2.532 99 S HA 0.312 4.800 4.470 0.030 0.000 0.299 99 S C 1.156 175.771 174.600 0.024 0.000 1.105 99 S CA -0.471 57.758 58.200 0.050 0.000 1.018 99 S CB 1.188 64.433 63.200 0.076 0.000 1.021 99 S HN 0.499 nan 8.310 nan 0.000 0.483 100 T N 2.394 116.830 114.554 -0.196 0.000 3.077 100 T HA -0.020 4.348 4.350 0.030 0.000 0.269 100 T C 1.362 175.772 174.700 -0.484 0.000 1.146 100 T CA 0.632 62.391 62.100 -0.568 0.000 1.091 100 T CB -0.214 68.198 68.868 -0.759 0.000 0.892 100 T HN 0.511 nan 8.240 nan 0.000 0.533 101 K N 0.564 120.742 120.400 -0.370 0.000 2.209 101 K HA 0.021 4.358 4.320 0.030 0.000 0.204 101 K C -0.115 176.157 176.600 -0.546 0.000 1.048 101 K CA 0.757 56.742 56.287 -0.502 0.000 0.940 101 K CB -0.235 31.890 32.500 -0.625 0.000 0.729 101 K HN 0.589 nan 8.250 nan 0.000 0.451 102 Y N 1.015 121.326 120.300 0.019 0.000 2.341 102 Y HA 0.283 4.850 4.550 0.029 0.000 0.337 102 Y C 0.534 176.507 175.900 0.120 0.000 1.014 102 Y CA -1.016 57.142 58.100 0.096 0.000 1.111 102 Y CB 1.132 39.702 38.460 0.183 0.000 1.194 102 Y HN -0.101 nan 8.280 nan 0.000 0.462 103 N N 1.741 120.582 118.700 0.234 0.000 2.380 103 N HA 0.331 5.089 4.740 0.030 0.000 0.290 103 N C -1.029 174.557 175.510 0.127 0.000 1.236 103 N CA -1.160 51.988 53.050 0.164 0.000 0.780 103 N CB 1.653 40.227 38.487 0.146 0.000 1.438 103 N HN 0.492 nan 8.380 nan 0.000 0.491 104 K N 0.302 120.719 120.400 0.029 0.000 2.494 104 K HA -0.041 4.297 4.320 0.030 0.000 0.273 104 K C -0.310 176.387 176.600 0.162 0.000 0.970 104 K CA 0.268 56.598 56.287 0.073 0.000 0.963 104 K CB 0.402 32.757 32.500 -0.242 0.000 0.913 104 K HN 0.411 nan 8.250 nan 0.000 0.502 105 D N 1.206 121.790 120.400 0.306 0.000 2.411 105 D HA 0.058 4.716 4.640 0.030 0.000 0.225 105 D C 0.497 176.939 176.300 0.236 0.000 1.156 105 D CA 0.148 54.278 54.000 0.216 0.000 0.874 105 D CB 0.910 41.794 40.800 0.141 0.000 1.034 105 D HN 0.360 nan 8.370 nan 0.000 0.502 106 S N 3.363 119.155 115.700 0.153 0.000 2.393 106 S HA -0.271 4.217 4.470 0.030 0.000 0.234 106 S C 1.700 176.366 174.600 0.110 0.000 1.064 106 S CA 1.479 59.759 58.200 0.133 0.000 1.088 106 S CB 0.069 63.320 63.200 0.086 0.000 0.939 106 S HN 0.585 nan 8.310 nan 0.000 0.448 107 K N 0.227 120.659 120.400 0.053 0.000 2.074 107 K HA -0.062 4.276 4.320 0.030 0.000 0.209 107 K C 1.841 178.401 176.600 -0.066 0.000 1.048 107 K CA 1.240 57.528 56.287 0.002 0.000 0.926 107 K CB -0.212 32.277 32.500 -0.017 0.000 0.713 107 K HN 0.318 nan 8.250 nan 0.000 0.444 108 M N -0.589 118.907 119.600 -0.173 0.000 2.558 108 M HA -0.018 4.480 4.480 0.030 0.000 0.255 108 M C 0.753 176.796 176.300 -0.429 0.000 1.113 108 M CA 1.327 56.351 55.300 -0.460 0.000 1.097 108 M CB -0.259 31.643 32.600 -1.163 0.000 1.426 108 M HN 0.139 nan 8.290 nan 0.000 0.488 109 Y N -1.016 119.227 120.300 -0.094 0.000 2.481 109 Y HA 0.245 4.813 4.550 0.029 0.000 0.247 109 Y C 1.953 177.811 175.900 -0.070 0.000 1.151 109 Y CA -0.177 57.876 58.100 -0.079 0.000 1.238 109 Y CB 0.174 38.601 38.460 -0.056 0.000 1.179 109 Y HN 0.122 nan 8.280 nan 0.000 0.524 110 R N 0.141 120.676 120.500 0.059 0.000 2.193 110 R HA -0.108 4.250 4.340 0.030 0.000 0.229 110 R C 2.155 178.460 176.300 0.008 0.000 1.110 110 R CA 1.052 57.180 56.100 0.046 0.000 0.988 110 R CB -0.256 30.070 30.300 0.044 0.000 0.871 110 R HN 0.269 nan 8.270 nan 0.000 0.458 111 A N 0.705 123.488 122.820 -0.061 0.000 2.119 111 A HA -0.018 4.320 4.320 0.030 0.000 0.217 111 A C 1.955 179.470 177.584 -0.116 0.000 1.153 111 A CA 0.840 52.802 52.037 -0.126 0.000 0.692 111 A CB -0.098 18.742 19.000 -0.266 0.000 0.799 111 A HN 0.176 nan 8.150 nan 0.000 0.458 112 L N -2.000 119.176 121.223 -0.078 0.000 2.425 112 L HA -0.026 4.332 4.340 0.030 0.000 0.215 112 L C 2.573 179.550 176.870 0.179 0.000 1.065 112 L CA 0.419 55.233 54.840 -0.044 0.000 0.842 112 L CB -0.399 41.440 42.059 -0.367 0.000 1.033 112 L HN 0.358 nan 8.230 nan 0.000 0.474 113 Q N -0.307 119.565 119.800 0.120 0.000 2.135 113 Q HA -0.071 4.287 4.340 0.030 0.000 0.204 113 Q C -0.142 175.936 176.000 0.131 0.000 0.981 113 Q CA 1.126 57.019 55.803 0.150 0.000 0.856 113 Q CB 0.096 28.899 28.738 0.109 0.000 0.902 113 Q HN 0.316 nan 8.270 nan 0.000 0.425 114 T N -0.399 114.208 114.554 0.089 0.000 3.041 114 T HA 0.476 4.843 4.350 0.030 0.000 0.321 114 T C -1.405 173.307 174.700 0.020 0.000 1.184 114 T CA -0.613 61.525 62.100 0.062 0.000 1.050 114 T CB 2.325 71.229 68.868 0.061 0.000 1.159 114 T HN -0.214 nan 8.240 nan 0.000 0.469 115 V N 4.093 124.002 119.914 -0.008 0.000 2.525 115 V HA 0.437 4.575 4.120 0.030 0.000 0.299 115 V C -0.497 175.582 176.094 -0.025 0.000 1.034 115 V CA -0.728 61.489 62.300 -0.137 0.000 0.863 115 V CB 0.947 32.619 31.823 -0.251 0.000 0.999 115 V HN 0.985 nan 8.190 nan 0.000 0.423 116 F N 3.278 123.251 119.950 0.038 0.000 3.090 116 F HA -0.200 4.344 4.527 0.029 0.000 0.282 116 F C 1.508 177.324 175.800 0.027 0.000 0.923 116 F CA 1.384 59.402 58.000 0.030 0.000 0.977 116 F CB -1.700 37.315 39.000 0.026 0.000 0.954 116 F HN 1.078 nan 8.300 nan 0.000 0.695 117 G N -0.257 108.657 108.800 0.189 0.000 2.182 117 G HA2 -0.212 3.766 3.960 0.030 0.000 0.248 117 G HA3 -0.212 3.766 3.960 0.030 0.000 0.248 117 G C -0.128 174.827 174.900 0.093 0.000 1.042 117 G CA 0.242 45.412 45.100 0.117 0.000 0.775 117 G HN 0.439 nan 8.290 nan 0.000 0.501 118 E N -0.524 119.728 120.200 0.086 0.000 2.263 118 E HA 0.310 4.677 4.350 0.030 0.000 0.268 118 E C 0.240 176.867 176.600 0.044 0.000 0.884 118 E CA -0.983 55.452 56.400 0.059 0.000 0.766 118 E CB 1.545 31.282 29.700 0.062 0.000 1.196 118 E HN 0.424 nan 8.360 nan 0.000 0.416 119 R N 2.525 123.047 120.500 0.037 0.000 2.538 119 R HA 0.029 4.387 4.340 0.030 0.000 0.282 119 R C 0.305 176.620 176.300 0.024 0.000 1.009 119 R CA 0.234 56.358 56.100 0.040 0.000 1.063 119 R CB 0.307 30.627 30.300 0.034 0.000 0.945 119 R HN 0.408 nan 8.270 nan 0.000 0.414 120 L N 4.249 125.499 121.223 0.046 0.000 3.569 120 L HA 0.287 4.645 4.340 0.030 0.000 0.178 120 L C 0.715 177.557 176.870 -0.047 0.000 1.286 120 L CA 0.720 55.553 54.840 -0.011 0.000 0.952 120 L CB -0.292 41.794 42.059 0.044 0.000 1.540 120 L HN 0.690 nan 8.230 nan 0.000 0.661 121 F N 0.823 120.793 119.950 0.033 0.000 2.710 121 F HA 0.348 4.893 4.527 0.029 0.000 0.298 121 F C 1.892 177.725 175.800 0.056 0.000 1.137 121 F CA 0.748 58.777 58.000 0.048 0.000 1.444 121 F CB -0.831 38.190 39.000 0.036 0.000 1.111 121 F HN 0.412 nan 8.300 nan 0.000 0.580 122 G N 0.189 109.118 108.800 0.215 0.000 2.690 122 G HA2 -0.349 3.629 3.960 0.030 0.000 0.334 122 G HA3 -0.349 3.629 3.960 0.030 0.000 0.334 122 G C 0.661 175.647 174.900 0.143 0.000 1.250 122 G CA 0.577 45.764 45.100 0.144 0.000 0.994 122 G HN 0.265 nan 8.290 nan 0.000 0.549 123 Q N 2.096 121.973 119.800 0.127 0.000 2.263 123 Q HA 0.418 4.776 4.340 0.030 0.000 0.337 123 Q C 1.046 177.129 176.000 0.138 0.000 0.906 123 Q CA 0.554 56.428 55.803 0.118 0.000 1.124 123 Q CB 0.414 29.210 28.738 0.097 0.000 1.255 123 Q HN 0.809 nan 8.270 nan 0.000 0.435 124 G N 0.310 109.213 108.800 0.173 0.000 2.570 124 G HA2 0.128 4.106 3.960 0.030 0.000 0.276 124 G HA3 0.128 4.106 3.960 0.030 0.000 0.276 124 G C 0.824 175.835 174.900 0.185 0.000 1.346 124 G CA -0.463 44.757 45.100 0.200 0.000 1.034 124 G HN 0.357 nan 8.290 nan 0.000 0.512 125 L N -0.543 120.801 121.223 0.201 0.000 2.201 125 L HA -0.023 4.335 4.340 0.030 0.000 0.212 125 L C 2.805 179.758 176.870 0.138 0.000 1.105 125 L CA 1.260 56.226 54.840 0.209 0.000 0.775 125 L CB -0.137 42.055 42.059 0.221 0.000 0.913 125 L HN 0.257 nan 8.230 nan 0.000 0.440 126 V N -1.267 118.664 119.914 0.029 0.000 2.346 126 V HA -0.137 4.000 4.120 0.030 0.000 0.244 126 V C 2.360 178.339 176.094 -0.192 0.000 1.037 126 V CA 1.559 63.801 62.300 -0.097 0.000 1.029 126 V CB -0.482 31.254 31.823 -0.146 0.000 0.663 126 V HN 0.673 nan 8.190 nan 0.000 0.454 127 S N -0.592 115.054 115.700 -0.089 0.000 2.524 127 S HA 0.055 4.543 4.470 0.030 0.000 0.216 127 S C 0.815 175.365 174.600 -0.083 0.000 0.987 127 S CA 0.020 58.154 58.200 -0.109 0.000 0.909 127 S CB -0.121 63.096 63.200 0.028 0.000 0.781 127 S HN 0.509 nan 8.310 nan 0.000 0.521 128 E N 0.922 121.117 120.200 -0.010 0.000 2.299 128 E HA 0.263 4.631 4.350 0.030 0.000 0.272 128 E C 0.071 176.654 176.600 -0.029 0.000 1.043 128 E CA -0.183 56.243 56.400 0.042 0.000 0.895 128 E CB 0.245 30.036 29.700 0.151 0.000 1.011 128 E HN 0.324 nan 8.360 nan 0.000 0.432 129 C N 4.044 123.333 119.300 -0.018 0.000 2.935 129 C HA 0.234 4.712 4.460 0.030 0.000 0.308 129 C C 0.966 175.990 174.990 0.057 0.000 1.263 129 C CA -0.557 58.433 59.018 -0.045 0.000 1.738 129 C CB -0.802 26.916 27.740 -0.036 0.000 2.237 129 C HN 0.755 nan 8.230 nan 0.000 0.600 130 N N 0.754 119.519 118.700 0.107 0.000 2.468 130 N HA -0.050 4.707 4.740 0.030 0.000 0.265 130 N C 0.540 176.195 175.510 0.241 0.000 1.199 130 N CA 0.170 53.314 53.050 0.156 0.000 0.928 130 N CB 0.462 39.028 38.487 0.131 0.000 1.059 130 N HN 0.527 nan 8.380 nan 0.000 0.467 131 Y N 4.821 125.215 120.300 0.156 0.000 2.006 131 Y HA -0.265 4.303 4.550 0.030 0.000 0.266 131 Y C 1.891 177.996 175.900 0.342 0.000 1.133 131 Y CA 1.891 60.141 58.100 0.249 0.000 1.098 131 Y CB -0.005 38.527 38.460 0.119 0.000 0.969 131 Y HN 0.601 nan 8.280 nan 0.000 0.482 132 E N 0.511 120.874 120.200 0.272 0.000 2.114 132 E HA -0.290 4.078 4.350 0.030 0.000 0.199 132 E C 2.242 178.895 176.600 0.088 0.000 1.008 132 E CA 1.855 58.346 56.400 0.152 0.000 0.810 132 E CB -0.510 29.300 29.700 0.183 0.000 0.739 132 E HN 0.584 nan 8.360 nan 0.000 0.456 133 R N -0.378 120.194 120.500 0.119 0.000 2.070 133 R HA -0.148 4.209 4.340 0.030 0.000 0.233 133 R C 2.247 178.599 176.300 0.085 0.000 1.137 133 R CA 1.559 57.714 56.100 0.093 0.000 0.945 133 R CB -0.560 29.805 30.300 0.108 0.000 0.845 133 R HN 0.290 nan 8.270 nan 0.000 0.430 134 W N 1.146 122.426 121.300 -0.033 0.000 2.338 134 W HA -0.255 4.423 4.660 0.029 0.000 0.304 134 W C 2.096 178.573 176.519 -0.070 0.000 1.212 134 W CA 2.002 59.321 57.345 -0.043 0.000 1.264 134 W CB -0.447 28.989 29.460 -0.039 0.000 1.142 134 W HN 0.206 nan 8.180 nan 0.000 0.512 135 H N 0.601 119.419 119.070 -0.420 0.000 2.421 135 H HA -0.122 4.451 4.556 0.030 0.000 0.298 135 H C 2.110 177.122 175.328 -0.526 0.000 1.087 135 H CA 2.361 57.934 56.048 -0.792 0.000 1.330 135 H CB -0.273 29.115 29.762 -0.623 0.000 1.388 135 H HN 0.191 nan 8.280 nan 0.000 0.526 136 K N 0.321 120.523 120.400 -0.331 0.000 2.002 136 K HA -0.169 4.168 4.320 0.030 0.000 0.209 136 K C 2.198 178.625 176.600 -0.288 0.000 1.048 136 K CA 1.937 58.068 56.287 -0.260 0.000 0.930 136 K CB -0.006 32.430 32.500 -0.107 0.000 0.714 136 K HN 0.507 nan 8.250 nan 0.000 0.438 137 Q N -0.248 119.389 119.800 -0.271 0.000 2.020 137 Q HA -0.190 4.168 4.340 0.030 0.000 0.202 137 Q C 2.294 178.107 176.000 -0.311 0.000 0.982 137 Q CA 1.526 57.201 55.803 -0.213 0.000 0.838 137 Q CB -0.340 28.328 28.738 -0.115 0.000 0.899 137 Q HN 0.140 nan 8.270 nan 0.000 0.423 138 R N 1.609 121.750 120.500 -0.598 0.000 2.115 138 R HA -0.183 4.175 4.340 0.030 0.000 0.239 138 R C 2.198 178.264 176.300 -0.389 0.000 1.133 138 R CA 2.086 57.831 56.100 -0.592 0.000 0.935 138 R CB -0.462 29.144 30.300 -1.157 0.000 0.853 138 R HN 0.195 nan 8.270 nan 0.000 0.433 139 R N -0.402 119.794 120.500 -0.506 0.000 2.119 139 R HA -0.155 4.202 4.340 0.030 0.000 0.246 139 R C 1.979 178.165 176.300 -0.191 0.000 1.146 139 R CA 2.136 58.025 56.100 -0.350 0.000 0.962 139 R CB -0.324 29.703 30.300 -0.454 0.000 0.863 139 R HN 0.243 nan 8.270 nan 0.000 0.442 140 V N 0.886 120.693 119.914 -0.178 0.000 2.283 140 V HA -0.215 3.923 4.120 0.030 0.000 0.243 140 V C 2.316 178.379 176.094 -0.052 0.000 1.039 140 V CA 1.840 64.081 62.300 -0.099 0.000 1.016 140 V CB -0.340 31.431 31.823 -0.086 0.000 0.650 140 V HN 0.312 nan 8.190 nan 0.000 0.449 141 I N 0.307 120.853 120.570 -0.040 0.000 2.454 141 I HA -0.234 3.954 4.170 0.030 0.000 0.254 141 I C 2.131 178.337 176.117 0.150 0.000 1.156 141 I CA 1.294 62.620 61.300 0.043 0.000 1.433 141 I CB -0.486 37.568 38.000 0.091 0.000 1.082 141 I HN 0.302 nan 8.210 nan 0.000 0.432 142 D N 0.879 121.327 120.400 0.081 0.000 2.190 142 D HA -0.169 4.488 4.640 0.030 0.000 0.200 142 D C 2.274 178.675 176.300 0.169 0.000 0.992 142 D CA 1.157 55.236 54.000 0.131 0.000 0.854 142 D CB -0.154 40.662 40.800 0.025 0.000 0.936 142 D HN 0.300 nan 8.370 nan 0.000 0.462 143 L N 0.053 121.323 121.223 0.078 0.000 2.083 143 L HA -0.133 4.225 4.340 0.030 0.000 0.209 143 L C 2.344 179.226 176.870 0.019 0.000 1.083 143 L CA 1.085 55.946 54.840 0.036 0.000 0.752 143 L CB -0.594 41.461 42.059 -0.006 0.000 0.899 143 L HN 0.002 nan 8.230 nan 0.000 0.433 144 A N -0.674 122.146 122.820 0.000 0.000 2.225 144 A HA -0.119 4.219 4.320 0.030 0.000 0.215 144 A C 1.383 178.752 177.584 -0.358 0.000 1.164 144 A CA 1.186 53.110 52.037 -0.188 0.000 0.710 144 A CB -0.552 18.270 19.000 -0.296 0.000 0.780 144 A HN 0.421 nan 8.150 nan 0.000 0.473 145 F N 0.136 120.105 119.950 0.031 0.000 2.735 145 F HA 0.164 4.709 4.527 0.030 0.000 0.304 145 F C 1.221 177.050 175.800 0.049 0.000 1.119 145 F CA -0.072 57.974 58.000 0.076 0.000 1.280 145 F CB 0.077 39.142 39.000 0.108 0.000 0.994 145 F HN 0.139 nan 8.300 nan 0.000 0.520 146 S N -0.322 115.445 115.700 0.112 0.000 2.576 146 S HA 0.070 4.558 4.470 0.030 0.000 0.272 146 S C 1.586 176.197 174.600 0.020 0.000 1.352 146 S CA -0.607 57.627 58.200 0.058 0.000 1.021 146 S CB 1.145 64.350 63.200 0.009 0.000 0.887 146 S HN 0.373 nan 8.310 nan 0.000 0.542 147 R N 1.866 122.365 120.500 -0.003 0.000 2.103 147 R HA -0.160 4.197 4.340 0.030 0.000 0.242 147 R C 2.379 178.575 176.300 -0.174 0.000 1.142 147 R CA 2.509 58.564 56.100 -0.075 0.000 0.960 147 R CB -1.491 28.766 30.300 -0.071 0.000 0.858 147 R HN 0.895 nan 8.270 nan 0.000 0.439 148 S N -1.153 114.466 115.700 -0.134 0.000 2.423 148 S HA -0.046 4.442 4.470 0.030 0.000 0.231 148 S C 1.988 176.500 174.600 -0.146 0.000 1.014 148 S CA 1.106 59.215 58.200 -0.152 0.000 0.965 148 S CB -0.245 62.891 63.200 -0.106 0.000 0.785 148 S HN 0.338 nan 8.310 nan 0.000 0.495 149 S N 2.259 117.888 115.700 -0.118 0.000 2.371 149 S HA 0.187 4.675 4.470 0.030 0.000 0.224 149 S C 1.806 176.308 174.600 -0.164 0.000 1.029 149 S CA 1.094 59.212 58.200 -0.135 0.000 0.978 149 S CB -0.505 62.616 63.200 -0.132 0.000 0.833 149 S HN 0.449 nan 8.310 nan 0.000 0.466 150 L N 1.167 122.312 121.223 -0.129 0.000 2.109 150 L HA -0.023 4.334 4.340 0.030 0.000 0.207 150 L C 2.290 179.049 176.870 -0.185 0.000 1.086 150 L CA 0.687 55.456 54.840 -0.118 0.000 0.760 150 L CB -0.776 41.309 42.059 0.043 0.000 0.910 150 L HN 0.184 nan 8.230 nan 0.000 0.437 151 V N -0.532 119.229 119.914 -0.255 0.000 2.392 151 V HA -0.274 3.864 4.120 0.030 0.000 0.249 151 V C 2.383 178.368 176.094 -0.182 0.000 1.059 151 V CA 2.016 64.148 62.300 -0.280 0.000 1.051 151 V CB -0.482 31.091 31.823 -0.416 0.000 0.658 151 V HN 0.397 nan 8.190 nan 0.000 0.455 152 S N -0.271 115.313 115.700 -0.194 0.000 2.555 152 S HA 0.124 4.612 4.470 0.030 0.000 0.230 152 S C 1.514 175.976 174.600 -0.231 0.000 0.978 152 S CA 0.761 58.859 58.200 -0.171 0.000 0.934 152 S CB -0.142 62.967 63.200 -0.152 0.000 0.766 152 S HN 0.524 nan 8.310 nan 0.000 0.533 153 L N 0.030 121.031 121.223 -0.371 0.000 2.616 153 L HA 0.226 4.584 4.340 0.030 0.000 0.229 153 L C 1.925 178.300 176.870 -0.825 0.000 1.110 153 L CA -0.041 54.407 54.840 -0.653 0.000 0.884 153 L CB -0.311 41.153 42.059 -0.990 0.000 1.115 153 L HN 0.247 nan 8.230 nan 0.000 0.481 154 M N 0.296 119.629 119.600 -0.445 0.000 2.195 154 M HA -0.246 4.251 4.480 0.030 0.000 0.260 154 M C 2.092 178.303 176.300 -0.148 0.000 1.066 154 M CA 1.672 56.834 55.300 -0.229 0.000 1.089 154 M CB -0.685 31.919 32.600 0.006 0.000 1.377 154 M HN 0.254 nan 8.290 nan 0.000 0.411 155 E N -0.101 120.072 120.200 -0.046 0.000 2.031 155 E HA -0.132 4.235 4.350 0.030 0.000 0.193 155 E C 1.791 178.393 176.600 0.003 0.000 0.994 155 E CA 2.227 58.682 56.400 0.092 0.000 0.800 155 E CB -0.048 29.690 29.700 0.064 0.000 0.752 155 E HN 0.432 nan 8.360 nan 0.000 0.447 156 T N 0.512 114.994 114.554 -0.119 0.000 2.684 156 T HA -0.160 4.208 4.350 0.030 0.000 0.267 156 T C 1.437 176.193 174.700 0.092 0.000 1.036 156 T CA 1.491 63.560 62.100 -0.053 0.000 1.148 156 T CB -0.457 68.336 68.868 -0.125 0.000 0.863 156 T HN 0.120 nan 8.240 nan 0.000 0.436 157 F N 2.115 122.026 119.950 -0.065 0.000 2.126 157 F HA -0.046 4.494 4.527 0.022 0.000 0.299 157 F C 2.451 178.206 175.800 -0.075 0.000 1.096 157 F CA 0.041 57.995 58.000 -0.077 0.000 1.255 157 F CB -1.285 37.644 39.000 -0.119 0.000 0.997 157 F HN 0.178 nan 8.300 nan 0.000 0.479 158 N N 0.264 119.000 118.700 0.060 0.000 2.084 158 N HA -0.189 4.569 4.740 0.030 0.000 0.190 158 N C 1.993 177.529 175.510 0.043 0.000 1.030 158 N CA 1.220 54.240 53.050 -0.050 0.000 0.849 158 N CB -0.390 37.907 38.487 -0.317 0.000 1.012 158 N HN 0.421 nan 8.380 nan 0.000 0.423 159 E N 0.988 121.237 120.200 0.081 0.000 2.023 159 E HA -0.171 4.196 4.350 0.030 0.000 0.196 159 E C 1.618 178.266 176.600 0.081 0.000 1.003 159 E CA 1.167 57.619 56.400 0.087 0.000 0.809 159 E CB 0.202 29.951 29.700 0.082 0.000 0.755 159 E HN 0.120 nan 8.360 nan 0.000 0.449 160 K N 0.120 120.577 120.400 0.095 0.000 2.097 160 K HA -0.115 4.223 4.320 0.030 0.000 0.206 160 K C 2.028 178.677 176.600 0.082 0.000 1.049 160 K CA 1.071 57.416 56.287 0.096 0.000 0.933 160 K CB -0.504 32.069 32.500 0.120 0.000 0.717 160 K HN 0.187 nan 8.250 nan 0.000 0.442 161 A N 1.524 124.389 122.820 0.074 0.000 1.902 161 A HA -0.211 4.127 4.320 0.030 0.000 0.217 161 A C 2.223 179.840 177.584 0.054 0.000 1.181 161 A CA 1.983 54.051 52.037 0.053 0.000 0.623 161 A CB -0.342 18.677 19.000 0.031 0.000 0.818 161 A HN 0.359 nan 8.150 nan 0.000 0.443 162 E N -0.244 119.989 120.200 0.056 0.000 2.112 162 E HA -0.168 4.200 4.350 0.030 0.000 0.190 162 E C 2.103 178.737 176.600 0.057 0.000 0.979 162 E CA 1.555 57.988 56.400 0.055 0.000 0.814 162 E CB -0.386 29.351 29.700 0.061 0.000 0.762 162 E HN 0.674 nan 8.360 nan 0.000 0.460 163 Q N -0.357 119.480 119.800 0.061 0.000 2.061 163 Q HA -0.177 4.180 4.340 0.030 0.000 0.204 163 Q C 2.186 178.224 176.000 0.063 0.000 0.984 163 Q CA 1.672 57.510 55.803 0.059 0.000 0.846 163 Q CB -0.296 28.479 28.738 0.061 0.000 0.902 163 Q HN 0.388 nan 8.270 nan 0.000 0.421 164 L N 0.088 121.354 121.223 0.072 0.000 1.997 164 L HA -0.224 4.134 4.340 0.030 0.000 0.216 164 L C 2.175 179.090 176.870 0.075 0.000 1.074 164 L CA 1.834 56.723 54.840 0.081 0.000 0.763 164 L CB -0.869 41.239 42.059 0.081 0.000 0.890 164 L HN 0.119 nan 8.230 nan 0.000 0.434 165 V N -0.284 119.670 119.914 0.067 0.000 2.407 165 V HA -0.276 3.862 4.120 0.030 0.000 0.248 165 V C 2.529 178.647 176.094 0.041 0.000 1.055 165 V CA 2.070 64.406 62.300 0.060 0.000 1.049 165 V CB -0.681 31.175 31.823 0.055 0.000 0.662 165 V HN 0.539 nan 8.190 nan 0.000 0.455 166 E N -0.192 120.032 120.200 0.040 0.000 2.106 166 E HA -0.158 4.210 4.350 0.030 0.000 0.192 166 E C 2.155 178.772 176.600 0.028 0.000 0.984 166 E CA 1.254 57.672 56.400 0.031 0.000 0.806 166 E CB -0.162 29.558 29.700 0.033 0.000 0.750 166 E HN 0.573 nan 8.360 nan 0.000 0.458 167 I N 1.020 121.613 120.570 0.038 0.000 2.142 167 I HA -0.294 3.894 4.170 0.030 0.000 0.240 167 I C 2.322 178.458 176.117 0.031 0.000 1.078 167 I CA 1.077 62.400 61.300 0.038 0.000 1.343 167 I CB -0.258 37.774 38.000 0.054 0.000 1.046 167 I HN 0.092 nan 8.210 nan 0.000 0.405 168 L N 0.237 121.484 121.223 0.038 0.000 2.042 168 L HA -0.237 4.120 4.340 0.030 0.000 0.210 168 L C 2.482 179.337 176.870 -0.024 0.000 1.076 168 L CA 1.556 56.407 54.840 0.018 0.000 0.749 168 L CB -0.693 41.392 42.059 0.044 0.000 0.893 168 L HN 0.276 nan 8.230 nan 0.000 0.432 169 E N 0.061 120.251 120.200 -0.017 0.000 2.153 169 E HA -0.205 4.163 4.350 0.030 0.000 0.194 169 E C 2.271 178.858 176.600 -0.021 0.000 0.988 169 E CA 0.996 57.380 56.400 -0.027 0.000 0.811 169 E CB -0.127 29.569 29.700 -0.008 0.000 0.746 169 E HN 0.505 nan 8.360 nan 0.000 0.466 170 A N 1.138 123.954 122.820 -0.007 0.000 2.019 170 A HA -0.169 4.168 4.320 0.030 0.000 0.219 170 A C 1.702 179.276 177.584 -0.016 0.000 1.164 170 A CA 1.208 53.242 52.037 -0.005 0.000 0.644 170 A CB -0.079 18.924 19.000 0.005 0.000 0.805 170 A HN 0.036 nan 8.150 nan 0.000 0.449 171 K N -0.460 119.925 120.400 -0.025 0.000 2.372 171 K HA 0.327 4.665 4.320 0.030 0.000 0.200 171 K C 0.557 177.115 176.600 -0.071 0.000 1.022 171 K CA 0.382 56.647 56.287 -0.037 0.000 1.125 171 K CB 0.408 32.896 32.500 -0.021 0.000 0.855 171 K HN 0.303 nan 8.250 nan 0.000 0.524 172 A N 2.259 125.028 122.820 -0.086 0.000 3.074 172 A HA 0.028 4.365 4.320 0.030 0.000 0.251 172 A C 0.234 177.716 177.584 -0.171 0.000 1.695 172 A CA -0.126 51.829 52.037 -0.136 0.000 1.343 172 A CB -0.613 18.310 19.000 -0.129 0.000 1.078 172 A HN 0.318 nan 8.150 nan 0.000 0.644 173 D N -1.492 118.803 120.400 -0.174 0.000 2.355 173 D HA 0.282 4.940 4.640 0.030 0.000 0.206 173 D C 1.188 177.295 176.300 -0.322 0.000 1.010 173 D CA 0.832 54.703 54.000 -0.216 0.000 0.875 173 D CB -0.028 40.693 40.800 -0.131 0.000 0.966 173 D HN 0.704 nan 8.370 nan 0.000 0.512 174 G N 0.421 109.057 108.800 -0.272 0.000 2.163 174 G HA2 -0.285 3.693 3.960 0.030 0.000 0.213 174 G HA3 -0.285 3.693 3.960 0.030 0.000 0.213 174 G C 0.655 175.445 174.900 -0.182 0.000 0.991 174 G CA 0.409 45.338 45.100 -0.284 0.000 0.653 174 G HN 0.566 nan 8.290 nan 0.000 0.518 175 Q N -1.362 118.356 119.800 -0.137 0.000 2.043 175 Q HA 0.272 4.630 4.340 0.030 0.000 0.219 175 Q C 0.078 176.039 176.000 -0.066 0.000 0.762 175 Q CA 0.366 56.115 55.803 -0.090 0.000 0.943 175 Q CB 0.340 29.031 28.738 -0.078 0.000 1.194 175 Q HN 0.261 nan 8.270 nan 0.000 0.447 176 T N 5.088 119.600 114.554 -0.069 0.000 2.747 176 T HA 0.323 4.691 4.350 0.030 0.000 0.301 176 T C -2.570 172.108 174.700 -0.036 0.000 0.952 176 T CA -1.273 60.799 62.100 -0.047 0.000 0.983 176 T CB 0.931 69.773 68.868 -0.044 0.000 0.930 176 T HN 0.123 nan 8.240 nan 0.000 0.494 177 P HA 0.262 nan 4.420 nan 0.000 0.271 177 P C -0.892 176.404 177.300 -0.008 0.000 1.226 177 P CA -0.251 62.837 63.100 -0.020 0.000 0.765 177 P CB 0.682 32.369 31.700 -0.021 0.000 0.835 178 V N 2.762 122.677 119.914 0.002 0.000 2.483 178 V HA 0.207 4.345 4.120 0.030 0.000 0.297 178 V C 0.553 176.650 176.094 0.005 0.000 1.027 178 V CA -0.652 61.658 62.300 0.017 0.000 0.855 178 V CB 1.821 33.668 31.823 0.039 0.000 0.995 178 V HN 0.588 nan 8.190 nan 0.000 0.424 179 S N 5.765 121.458 115.700 -0.012 0.000 2.437 179 S HA 0.154 4.641 4.470 0.030 0.000 0.304 179 S C 1.348 175.906 174.600 -0.069 0.000 1.167 179 S CA -0.563 57.605 58.200 -0.052 0.000 1.106 179 S CB 0.102 63.265 63.200 -0.062 0.000 1.099 179 S HN 0.584 nan 8.310 nan 0.000 0.524 180 M N 3.805 123.355 119.600 -0.084 0.000 2.296 180 M HA -0.088 4.409 4.480 0.030 0.000 0.265 180 M C 2.090 178.287 176.300 -0.172 0.000 1.064 180 M CA 1.351 56.583 55.300 -0.113 0.000 1.109 180 M CB -1.413 31.089 32.600 -0.164 0.000 1.396 180 M HN 0.849 nan 8.290 nan 0.000 0.430 181 Q N 0.885 120.568 119.800 -0.195 0.000 2.061 181 Q HA -0.192 4.166 4.340 0.030 0.000 0.204 181 Q C 1.444 177.289 176.000 -0.258 0.000 0.984 181 Q CA 2.059 57.726 55.803 -0.226 0.000 0.846 181 Q CB 0.040 28.644 28.738 -0.224 0.000 0.902 181 Q HN 0.368 nan 8.270 nan 0.000 0.421 182 D N -0.589 119.643 120.400 -0.281 0.000 2.097 182 D HA -0.146 4.512 4.640 0.030 0.000 0.197 182 D C 1.833 177.705 176.300 -0.713 0.000 0.984 182 D CA 1.138 54.833 54.000 -0.507 0.000 0.826 182 D CB -0.115 40.476 40.800 -0.348 0.000 0.973 182 D HN 0.301 nan 8.370 nan 0.000 0.460 183 M N 0.222 119.638 119.600 -0.308 0.000 2.065 183 M HA -0.094 4.404 4.480 0.030 0.000 0.259 183 M C 2.471 178.706 176.300 -0.110 0.000 1.069 183 M CA 1.055 56.295 55.300 -0.100 0.000 1.110 183 M CB -1.154 31.461 32.600 0.024 0.000 1.328 183 M HN 0.047 nan 8.290 nan 0.000 0.405 184 L N -0.794 120.347 121.223 -0.138 0.000 2.131 184 L HA -0.188 4.169 4.340 0.030 0.000 0.210 184 L C 2.363 179.182 176.870 -0.086 0.000 1.092 184 L CA 1.155 55.936 54.840 -0.099 0.000 0.759 184 L CB -1.104 40.879 42.059 -0.127 0.000 0.903 184 L HN 0.321 nan 8.230 nan 0.000 0.435 185 T N -1.172 113.278 114.554 -0.173 0.000 2.684 185 T HA -0.214 4.154 4.350 0.030 0.000 0.267 185 T C 1.715 176.416 174.700 0.002 0.000 1.036 185 T CA 1.568 63.604 62.100 -0.106 0.000 1.148 185 T CB -0.367 68.386 68.868 -0.192 0.000 0.863 185 T HN 0.187 nan 8.240 nan 0.000 0.436 186 Y N 1.973 122.300 120.300 0.046 0.000 2.200 186 Y HA -0.085 4.483 4.550 0.030 0.000 0.290 186 Y C 2.989 178.914 175.900 0.042 0.000 1.137 186 Y CA 0.422 58.546 58.100 0.039 0.000 1.163 186 Y CB -1.738 36.746 38.460 0.039 0.000 0.988 186 Y HN 0.193 nan 8.280 nan 0.000 0.518 187 T N 0.209 114.874 114.554 0.185 0.000 2.684 187 T HA -0.241 4.127 4.350 0.030 0.000 0.267 187 T C 2.265 177.035 174.700 0.116 0.000 1.036 187 T CA 1.677 63.853 62.100 0.128 0.000 1.148 187 T CB -0.733 68.183 68.868 0.081 0.000 0.863 187 T HN 0.427 nan 8.240 nan 0.000 0.436 188 A N 1.059 123.944 122.820 0.108 0.000 1.898 188 A HA -0.022 4.316 4.320 0.030 0.000 0.216 188 A C 2.277 179.947 177.584 0.142 0.000 1.181 188 A CA 1.857 53.976 52.037 0.136 0.000 0.620 188 A CB -0.653 18.436 19.000 0.147 0.000 0.819 188 A HN 0.427 nan 8.150 nan 0.000 0.442 189 M N 0.069 119.707 119.600 0.064 0.000 2.099 189 M HA -0.115 4.383 4.480 0.030 0.000 0.262 189 M C 1.242 177.541 176.300 -0.002 0.000 1.067 189 M CA 2.107 57.313 55.300 -0.156 0.000 1.124 189 M CB -0.460 31.976 32.600 -0.275 0.000 1.353 189 M HN 0.337 nan 8.290 nan 0.000 0.410 190 D N 0.188 120.640 120.400 0.088 0.000 2.104 190 D HA -0.160 4.497 4.640 0.030 0.000 0.194 190 D C 2.051 178.436 176.300 0.143 0.000 0.994 190 D CA 1.750 55.822 54.000 0.121 0.000 0.830 190 D CB -0.422 40.450 40.800 0.121 0.000 0.959 190 D HN 0.455 nan 8.370 nan 0.000 0.452 191 I N 0.634 121.305 120.570 0.168 0.000 2.127 191 I HA -0.230 3.958 4.170 0.030 0.000 0.241 191 I C 2.457 178.751 176.117 0.297 0.000 1.075 191 I CA 0.615 62.063 61.300 0.247 0.000 1.334 191 I CB -0.167 38.002 38.000 0.282 0.000 1.040 191 I HN 0.095 nan 8.210 nan 0.000 0.405 192 L N 1.123 122.508 121.223 0.269 0.000 2.012 192 L HA -0.219 4.139 4.340 0.030 0.000 0.210 192 L C 2.708 179.695 176.870 0.194 0.000 1.073 192 L CA 2.506 57.494 54.840 0.248 0.000 0.748 192 L CB -1.138 40.994 42.059 0.122 0.000 0.891 192 L HN 0.267 nan 8.230 nan 0.000 0.431 193 A N -0.060 122.897 122.820 0.229 0.000 1.908 193 A HA -0.274 4.064 4.320 0.030 0.000 0.218 193 A C 2.314 180.051 177.584 0.256 0.000 1.181 193 A CA 2.129 54.425 52.037 0.432 0.000 0.627 193 A CB -0.453 18.818 19.000 0.451 0.000 0.818 193 A HN 0.442 nan 8.150 nan 0.000 0.445 194 K N -0.084 120.403 120.400 0.146 0.000 1.991 194 K HA 0.164 4.502 4.320 0.030 0.000 0.207 194 K C 2.095 178.721 176.600 0.043 0.000 1.045 194 K CA 1.592 57.917 56.287 0.064 0.000 0.937 194 K CB -0.736 31.796 32.500 0.053 0.000 0.720 194 K HN 0.260 nan 8.250 nan 0.000 0.438 195 A N 0.550 123.417 122.820 0.077 0.000 1.883 195 A HA -0.094 4.244 4.320 0.030 0.000 0.217 195 A C 2.367 179.943 177.584 -0.013 0.000 1.186 195 A CA 2.418 54.482 52.037 0.046 0.000 0.624 195 A CB -1.109 17.994 19.000 0.172 0.000 0.822 195 A HN 0.454 nan 8.150 nan 0.000 0.444 196 A N -1.978 120.788 122.820 -0.090 0.000 1.903 196 A HA 0.306 4.644 4.320 0.030 0.000 0.213 196 A C 1.702 178.996 177.584 -0.484 0.000 1.185 196 A CA 1.182 52.953 52.037 -0.444 0.000 0.628 196 A CB -0.333 18.157 19.000 -0.850 0.000 0.830 196 A HN 0.512 nan 8.150 nan 0.000 0.446 197 F N -1.616 118.413 119.950 0.131 0.000 2.706 197 F HA 0.389 4.931 4.527 0.026 0.000 0.308 197 F C 1.704 177.484 175.800 -0.032 0.000 1.095 197 F CA 0.450 58.532 58.000 0.137 0.000 1.244 197 F CB 0.665 39.905 39.000 0.400 0.000 1.063 197 F HN 0.343 nan 8.300 nan 0.000 0.582 198 G N 0.798 109.634 108.800 0.059 0.000 2.136 198 G HA2 -0.244 3.734 3.960 0.030 0.000 0.242 198 G HA3 -0.244 3.734 3.960 0.030 0.000 0.242 198 G C 0.052 174.868 174.900 -0.139 0.000 0.989 198 G CA -0.098 44.978 45.100 -0.039 0.000 0.682 198 G HN 0.073 nan 8.290 nan 0.000 0.522 199 M N 0.314 119.778 119.600 -0.226 0.000 2.508 199 M HA 0.508 5.006 4.480 0.030 0.000 0.327 199 M C -0.162 176.018 176.300 -0.199 0.000 1.160 199 M CA -0.933 54.101 55.300 -0.443 0.000 0.980 199 M CB 1.610 33.416 32.600 -1.325 0.000 1.693 199 M HN 0.044 nan 8.290 nan 0.000 0.452 200 E N 1.633 121.755 120.200 -0.129 0.000 2.109 200 E HA 0.298 4.666 4.350 0.030 0.000 0.278 200 E C 0.583 177.228 176.600 0.074 0.000 0.954 200 E CA 0.013 56.410 56.400 -0.004 0.000 0.779 200 E CB 1.351 31.050 29.700 -0.002 0.000 1.093 200 E HN 0.735 nan 8.360 nan 0.000 0.401 201 T N -1.993 112.653 114.554 0.152 0.000 3.044 201 T HA -0.034 4.334 4.350 0.030 0.000 0.255 201 T C 0.878 175.657 174.700 0.131 0.000 1.073 201 T CA 0.015 62.247 62.100 0.220 0.000 1.125 201 T CB 0.023 69.078 68.868 0.311 0.000 0.908 201 T HN 0.321 nan 8.240 nan 0.000 0.480 202 S N 1.225 116.980 115.700 0.091 0.000 3.549 202 S HA -0.217 4.271 4.470 0.030 0.000 0.366 202 S C 1.016 175.621 174.600 0.009 0.000 1.012 202 S CA 0.845 59.075 58.200 0.050 0.000 1.141 202 S CB -2.118 61.105 63.200 0.038 0.000 0.910 202 S HN 0.596 nan 8.310 nan 0.000 0.471 203 M N -0.278 119.328 119.600 0.009 0.000 2.159 203 M HA -0.092 4.405 4.480 0.030 0.000 0.263 203 M C 2.016 178.161 176.300 -0.259 0.000 1.063 203 M CA 1.621 56.842 55.300 -0.132 0.000 1.110 203 M CB -0.397 32.183 32.600 -0.033 0.000 1.374 203 M HN 0.482 nan 8.290 nan 0.000 0.411 204 L N -0.037 121.160 121.223 -0.044 0.000 2.189 204 L HA -0.194 4.163 4.340 0.030 0.000 0.214 204 L C 1.755 178.598 176.870 -0.046 0.000 1.097 204 L CA 0.927 55.768 54.840 0.003 0.000 0.764 204 L CB -0.428 41.680 42.059 0.081 0.000 0.900 204 L HN 0.371 nan 8.230 nan 0.000 0.436 205 L N -1.081 120.109 121.223 -0.055 0.000 2.700 205 L HA 0.273 4.631 4.340 0.030 0.000 0.234 205 L C 1.320 178.152 176.870 -0.064 0.000 1.156 205 L CA 0.424 55.242 54.840 -0.037 0.000 0.946 205 L CB 0.131 42.186 42.059 -0.008 0.000 1.216 205 L HN 0.382 nan 8.230 nan 0.000 0.493 206 G N 0.034 108.755 108.800 -0.132 0.000 2.176 206 G HA2 -0.232 3.746 3.960 0.030 0.000 0.232 206 G HA3 -0.232 3.746 3.960 0.030 0.000 0.232 206 G C 0.354 175.193 174.900 -0.102 0.000 0.986 206 G CA -0.010 45.010 45.100 -0.133 0.000 0.643 206 G HN 0.469 nan 8.290 nan 0.000 0.522 207 A N -0.439 122.335 122.820 -0.077 0.000 2.257 207 A HA 0.691 5.029 4.320 0.030 0.000 0.289 207 A C 1.191 178.775 177.584 0.001 0.000 1.095 207 A CA 0.957 52.983 52.037 -0.018 0.000 0.836 207 A CB 0.236 19.246 19.000 0.016 0.000 1.111 207 A HN 1.180 nan 8.150 nan 0.000 0.497 208 Q N -0.742 119.092 119.800 0.057 0.000 2.463 208 Q HA -0.167 4.191 4.340 0.030 0.000 0.299 208 Q C 0.670 176.720 176.000 0.085 0.000 1.353 208 Q CA 0.852 56.721 55.803 0.110 0.000 0.828 208 Q CB -1.214 27.628 28.738 0.173 0.000 1.157 208 Q HN 0.805 nan 8.270 nan 0.000 0.436 209 K N -0.586 119.837 120.400 0.040 0.000 2.063 209 K HA -0.094 4.243 4.320 0.030 0.000 0.208 209 K C -0.616 175.996 176.600 0.019 0.000 1.048 209 K CA 1.504 57.804 56.287 0.022 0.000 0.928 209 K CB -0.774 31.725 32.500 -0.001 0.000 0.713 209 K HN 0.306 nan 8.250 nan 0.000 0.442 210 P HA -0.133 nan 4.420 nan 0.000 0.216 210 P C 1.574 178.802 177.300 -0.120 0.000 1.153 210 P CA 0.695 63.709 63.100 -0.143 0.000 0.848 210 P CB 0.019 31.591 31.700 -0.213 0.000 0.787 211 L N -0.429 120.892 121.223 0.164 0.000 2.012 211 L HA -0.160 4.197 4.340 0.030 0.000 0.210 211 L C 2.463 179.468 176.870 0.225 0.000 1.073 211 L CA 2.100 57.148 54.840 0.347 0.000 0.748 211 L CB -1.633 40.648 42.059 0.369 0.000 0.891 211 L HN -0.071 nan 8.230 nan 0.000 0.431 212 S N -1.232 114.577 115.700 0.181 0.000 2.353 212 S HA -0.316 4.172 4.470 0.030 0.000 0.222 212 S C 2.068 176.749 174.600 0.136 0.000 1.035 212 S CA 1.677 59.988 58.200 0.185 0.000 1.025 212 S CB -0.430 62.884 63.200 0.191 0.000 0.902 212 S HN 0.645 nan 8.310 nan 0.000 0.440 213 Q N 1.116 120.958 119.800 0.070 0.000 2.112 213 Q HA 0.005 4.363 4.340 0.030 0.000 0.206 213 Q C 2.069 178.080 176.000 0.018 0.000 0.987 213 Q CA 2.124 57.943 55.803 0.026 0.000 0.858 213 Q CB -0.945 27.776 28.738 -0.029 0.000 0.905 213 Q HN 0.621 nan 8.270 nan 0.000 0.420 214 A N -0.861 121.959 122.820 0.000 0.000 1.972 214 A HA -0.129 4.209 4.320 0.030 0.000 0.219 214 A C 2.240 179.885 177.584 0.102 0.000 1.169 214 A CA 1.634 53.690 52.037 0.031 0.000 0.635 214 A CB -0.649 18.401 19.000 0.085 0.000 0.810 214 A HN 0.279 nan 8.150 nan 0.000 0.446 215 V N 0.084 120.091 119.914 0.155 0.000 2.379 215 V HA -0.219 3.919 4.120 0.030 0.000 0.245 215 V C 2.485 178.662 176.094 0.139 0.000 1.044 215 V CA 2.184 64.600 62.300 0.193 0.000 1.036 215 V CB -0.602 31.399 31.823 0.297 0.000 0.664 215 V HN 0.694 nan 8.190 nan 0.000 0.453 216 K N 0.206 120.674 120.400 0.114 0.000 2.009 216 K HA -0.194 4.144 4.320 0.030 0.000 0.210 216 K C 2.158 178.795 176.600 0.061 0.000 1.049 216 K CA 1.814 58.148 56.287 0.078 0.000 0.929 216 K CB -0.267 32.271 32.500 0.064 0.000 0.714 216 K HN 0.379 nan 8.250 nan 0.000 0.440 217 L N 0.806 122.063 121.223 0.056 0.000 2.046 217 L HA -0.195 4.163 4.340 0.030 0.000 0.208 217 L C 2.857 179.763 176.870 0.059 0.000 1.077 217 L CA 1.008 55.880 54.840 0.054 0.000 0.747 217 L CB -0.488 41.597 42.059 0.043 0.000 0.896 217 L HN 0.428 nan 8.230 nan 0.000 0.432 218 M N 0.356 119.992 119.600 0.059 0.000 2.108 218 M HA -0.224 4.274 4.480 0.030 0.000 0.261 218 M C 2.258 178.579 176.300 0.034 0.000 1.066 218 M CA 2.049 57.376 55.300 0.045 0.000 1.107 218 M CB -0.520 32.113 32.600 0.056 0.000 1.356 218 M HN 0.228 nan 8.290 nan 0.000 0.406 219 L N -0.150 121.106 121.223 0.054 0.000 2.056 219 L HA -0.199 4.158 4.340 0.030 0.000 0.207 219 L C 2.269 179.147 176.870 0.013 0.000 1.078 219 L CA 1.319 56.184 54.840 0.041 0.000 0.749 219 L CB -0.748 41.340 42.059 0.047 0.000 0.901 219 L HN 0.332 nan 8.230 nan 0.000 0.433 220 E N 0.198 120.415 120.200 0.027 0.000 2.110 220 E HA -0.177 4.190 4.350 0.030 0.000 0.193 220 E C 2.250 178.869 176.600 0.031 0.000 0.988 220 E CA 1.014 57.435 56.400 0.035 0.000 0.804 220 E CB -0.296 29.437 29.700 0.054 0.000 0.745 220 E HN 0.562 nan 8.360 nan 0.000 0.458 221 G N 1.313 110.114 108.800 0.002 0.000 2.421 221 G HA2 -0.257 3.721 3.960 0.030 0.000 0.216 221 G HA3 -0.257 3.721 3.960 0.030 0.000 0.216 221 G C 1.591 176.293 174.900 -0.330 0.000 1.171 221 G CA 0.661 45.669 45.100 -0.152 0.000 0.775 221 G HN 0.132 nan 8.290 nan 0.000 0.543 222 I N 0.976 121.429 120.570 -0.195 0.000 2.208 222 I HA -0.210 3.978 4.170 0.030 0.000 0.245 222 I C 3.035 179.042 176.117 -0.183 0.000 1.097 222 I CA 1.619 62.804 61.300 -0.192 0.000 1.363 222 I CB -0.526 37.414 38.000 -0.100 0.000 1.051 222 I HN 0.142 nan 8.210 nan 0.000 0.413 223 T N 0.818 115.311 114.554 -0.102 0.000 2.622 223 T HA -0.210 4.157 4.350 0.030 0.000 0.266 223 T C 2.062 176.754 174.700 -0.013 0.000 1.047 223 T CA 1.624 63.691 62.100 -0.056 0.000 1.159 223 T CB -0.515 68.351 68.868 -0.004 0.000 0.863 223 T HN 0.485 nan 8.240 nan 0.000 0.422 224 A N 1.112 123.962 122.820 0.049 0.000 1.933 224 A HA -0.097 4.241 4.320 0.030 0.000 0.218 224 A C 2.572 180.271 177.584 0.191 0.000 1.175 224 A CA 2.123 54.252 52.037 0.154 0.000 0.628 224 A CB -1.112 18.050 19.000 0.270 0.000 0.814 224 A HN 0.458 nan 8.150 nan 0.000 0.444 225 S N -0.454 115.292 115.700 0.078 0.000 2.365 225 S HA -0.224 4.264 4.470 0.030 0.000 0.225 225 S C 2.117 176.779 174.600 0.104 0.000 1.039 225 S CA 1.775 60.017 58.200 0.070 0.000 1.033 225 S CB -0.312 62.746 63.200 -0.237 0.000 0.887 225 S HN 0.629 nan 8.310 nan 0.000 0.447 226 R N 0.387 120.850 120.500 -0.062 0.000 2.236 226 R HA 0.175 4.532 4.340 0.030 0.000 0.208 226 R C -0.154 176.160 176.300 0.024 0.000 1.036 226 R CA 0.787 56.782 56.100 -0.175 0.000 1.001 226 R CB -0.048 29.936 30.300 -0.527 0.000 0.896 226 R HN 0.398 nan 8.270 nan 0.000 0.464 227 N N 0.314 119.092 118.700 0.131 0.000 2.813 227 N HA 0.138 4.896 4.740 0.030 0.000 0.282 227 N C -1.416 174.214 175.510 0.200 0.000 1.748 227 N CA -0.133 53.025 53.050 0.181 0.000 0.860 227 N CB 1.536 40.092 38.487 0.116 0.000 1.204 227 N HN -0.095 nan 8.380 nan 0.000 0.490 237 R N 1.234 121.693 120.500 -0.069 0.000 2.667 237 R HA -0.396 3.962 4.340 0.030 0.000 0.139 237 R C 1.382 177.650 176.300 -0.053 0.000 0.581 237 R CA 2.836 58.899 56.100 -0.063 0.000 0.270 237 R CB -1.235 29.038 30.300 -0.043 0.000 0.607 237 R HN 0.502 nan 8.270 nan 0.000 0.249 238 K N 1.210 121.588 120.400 -0.037 0.000 2.007 238 K HA -0.217 4.120 4.320 0.030 0.000 0.206 238 K C 2.143 178.733 176.600 -0.016 0.000 1.047 238 K CA 2.101 58.374 56.287 -0.023 0.000 0.937 238 K CB -0.548 31.942 32.500 -0.016 0.000 0.718 238 K HN 0.657 nan 8.250 nan 0.000 0.438 239 Q N 0.783 120.575 119.800 -0.012 0.000 2.181 239 Q HA -0.128 4.230 4.340 0.030 0.000 0.205 239 Q C 2.222 178.234 176.000 0.021 0.000 0.980 239 Q CA 1.270 57.083 55.803 0.016 0.000 0.862 239 Q CB -0.184 28.571 28.738 0.029 0.000 0.905 239 Q HN 0.332 nan 8.270 nan 0.000 0.429 240 L N 0.454 121.636 121.223 -0.068 0.000 2.083 240 L HA -0.135 4.223 4.340 0.030 0.000 0.209 240 L C 2.488 179.346 176.870 -0.021 0.000 1.083 240 L CA 1.926 56.672 54.840 -0.157 0.000 0.752 240 L CB -0.345 41.548 42.059 -0.276 0.000 0.899 240 L HN 0.210 nan 8.230 nan 0.000 0.433 241 R N -0.887 119.606 120.500 -0.011 0.000 2.100 241 R HA -0.075 4.283 4.340 0.030 0.000 0.220 241 R C 2.109 178.430 176.300 0.035 0.000 1.091 241 R CA 1.001 57.109 56.100 0.014 0.000 0.986 241 R CB -0.029 30.269 30.300 -0.003 0.000 0.888 241 R HN 0.455 nan 8.270 nan 0.000 0.444 242 E N -0.165 120.054 120.200 0.032 0.000 2.085 242 E HA -0.174 4.194 4.350 0.030 0.000 0.194 242 E C 1.918 178.555 176.600 0.061 0.000 0.994 242 E CA 1.543 57.961 56.400 0.031 0.000 0.801 242 E CB 0.069 29.782 29.700 0.021 0.000 0.743 242 E HN 0.126 nan 8.360 nan 0.000 0.453 243 V N 1.018 121.003 119.914 0.119 0.000 2.358 243 V HA -0.253 3.884 4.120 0.030 0.000 0.246 243 V C 2.210 178.388 176.094 0.141 0.000 1.047 243 V CA 1.782 64.179 62.300 0.162 0.000 1.035 243 V CB -0.410 31.606 31.823 0.322 0.000 0.658 243 V HN 0.174 nan 8.190 nan 0.000 0.452 244 R N -0.159 120.433 120.500 0.155 0.000 2.081 244 R HA -0.162 4.196 4.340 0.030 0.000 0.235 244 R C 2.313 178.657 176.300 0.074 0.000 1.131 244 R CA 1.657 57.825 56.100 0.114 0.000 0.960 244 R CB -0.279 30.083 30.300 0.103 0.000 0.856 244 R HN 0.582 nan 8.270 nan 0.000 0.436 245 E N -0.149 120.087 120.200 0.060 0.000 2.150 245 E HA -0.112 4.255 4.350 0.030 0.000 0.193 245 E C 1.912 178.551 176.600 0.064 0.000 0.985 245 E CA 1.190 57.618 56.400 0.048 0.000 0.814 245 E CB 0.145 29.855 29.700 0.017 0.000 0.752 245 E HN 0.206 nan 8.360 nan 0.000 0.466 246 S N 0.542 116.274 115.700 0.053 0.000 2.371 246 S HA -0.075 4.413 4.470 0.030 0.000 0.224 246 S C 1.984 176.643 174.600 0.099 0.000 1.029 246 S CA 0.612 58.852 58.200 0.066 0.000 0.978 246 S CB -0.062 63.163 63.200 0.041 0.000 0.833 246 S HN 0.180 nan 8.310 nan 0.000 0.466 247 I N 1.273 121.880 120.570 0.060 0.000 2.226 247 I HA -0.193 3.995 4.170 0.030 0.000 0.245 247 I C 2.695 178.817 176.117 0.009 0.000 1.100 247 I CA 1.214 62.527 61.300 0.022 0.000 1.374 247 I CB -0.225 37.782 38.000 0.013 0.000 1.057 247 I HN 0.153 nan 8.210 nan 0.000 0.413 248 R N -0.145 120.376 120.500 0.034 0.000 2.075 248 R HA -0.178 4.179 4.340 0.030 0.000 0.232 248 R C 2.370 178.670 176.300 0.000 0.000 1.126 248 R CA 1.670 57.776 56.100 0.010 0.000 0.963 248 R CB -0.495 29.821 30.300 0.026 0.000 0.858 248 R HN 0.250 nan 8.270 nan 0.000 0.435 249 F N 1.111 121.004 119.950 -0.094 0.000 2.120 249 F HA -0.286 4.257 4.527 0.026 0.000 0.300 249 F C 2.069 177.753 175.800 -0.194 0.000 1.095 249 F CA 1.256 59.183 58.000 -0.122 0.000 1.249 249 F CB -0.068 38.879 39.000 -0.089 0.000 0.995 249 F HN -0.013 nan 8.300 nan 0.000 0.480 250 L N 0.805 121.972 121.223 -0.093 0.000 2.017 250 L HA -0.175 4.183 4.340 0.030 0.000 0.208 250 L C 2.433 179.089 176.870 -0.357 0.000 1.073 250 L CA 1.870 56.551 54.840 -0.265 0.000 0.745 250 L CB -1.148 40.820 42.059 -0.152 0.000 0.894 250 L HN 0.189 nan 8.230 nan 0.000 0.432 251 R N -1.051 119.298 120.500 -0.251 0.000 2.148 251 R HA -0.190 4.168 4.340 0.030 0.000 0.227 251 R C 2.077 178.143 176.300 -0.390 0.000 1.103 251 R CA 0.892 56.835 56.100 -0.261 0.000 0.983 251 R CB -0.092 30.116 30.300 -0.153 0.000 0.874 251 R HN 0.347 nan 8.270 nan 0.000 0.451 252 Q N 0.775 120.336 119.800 -0.397 0.000 2.049 252 Q HA -0.083 4.275 4.340 0.030 0.000 0.198 252 Q C 1.996 177.639 176.000 -0.595 0.000 0.971 252 Q CA 1.466 57.013 55.803 -0.426 0.000 0.833 252 Q CB -0.168 28.351 28.738 -0.365 0.000 0.896 252 Q HN 0.080 nan 8.270 nan 0.000 0.434 253 V N 0.460 119.894 119.914 -0.800 0.000 2.317 253 V HA -0.327 3.811 4.120 0.030 0.000 0.251 253 V C 2.173 177.519 176.094 -1.247 0.000 1.065 253 V CA 2.058 63.755 62.300 -1.007 0.000 1.049 253 V CB -1.549 29.586 31.823 -1.147 0.000 0.651 253 V HN 0.619 nan 8.190 nan 0.000 0.450 254 G N 1.053 109.001 108.800 -1.421 0.000 2.514 254 G HA2 -0.320 3.658 3.960 0.030 0.000 0.217 254 G HA3 -0.320 3.658 3.960 0.030 0.000 0.217 254 G C 1.572 175.855 174.900 -1.028 0.000 1.198 254 G CA 1.222 45.075 45.100 -2.078 0.000 0.780 254 G HN 0.650 nan 8.290 nan 0.000 0.565 255 R N 0.252 120.382 120.500 -0.618 0.000 2.096 255 R HA -0.016 4.342 4.340 0.030 0.000 0.235 255 R C 1.840 177.987 176.300 -0.255 0.000 1.127 255 R CA 1.710 57.601 56.100 -0.348 0.000 0.968 255 R CB -0.654 29.500 30.300 -0.243 0.000 0.861 255 R HN 0.168 nan 8.270 nan 0.000 0.440 256 D N 0.495 120.731 120.400 -0.274 0.000 2.117 256 D HA -0.163 4.495 4.640 0.030 0.000 0.197 256 D C 1.625 177.954 176.300 0.049 0.000 0.987 256 D CA 1.042 54.974 54.000 -0.114 0.000 0.829 256 D CB -0.325 40.408 40.800 -0.111 0.000 0.961 256 D HN 0.338 nan 8.370 nan 0.000 0.460 257 W N 0.911 122.025 121.300 -0.310 0.000 2.436 257 W HA 0.011 4.688 4.660 0.028 0.000 0.284 257 W C 2.332 178.754 176.519 -0.162 0.000 1.225 257 W CA -0.037 57.178 57.345 -0.216 0.000 1.271 257 W CB -1.045 28.261 29.460 -0.257 0.000 1.114 257 W HN -0.153 nan 8.180 nan 0.000 0.559 258 V N -0.009 119.896 119.914 -0.015 0.000 2.323 258 V HA -0.298 3.840 4.120 0.030 0.000 0.244 258 V C 2.414 178.504 176.094 -0.007 0.000 1.041 258 V CA 2.174 64.465 62.300 -0.015 0.000 1.025 258 V CB -0.855 30.916 31.823 -0.086 0.000 0.656 258 V HN 0.154 nan 8.190 nan 0.000 0.451 259 Q N -0.135 119.646 119.800 -0.032 0.000 2.077 259 Q HA -0.273 4.085 4.340 0.030 0.000 0.206 259 Q C 2.513 178.510 176.000 -0.005 0.000 0.989 259 Q CA 2.035 57.824 55.803 -0.024 0.000 0.853 259 Q CB -0.099 28.616 28.738 -0.037 0.000 0.907 259 Q HN 0.533 nan 8.270 nan 0.000 0.418 260 R N -0.267 120.238 120.500 0.009 0.000 2.091 260 R HA -0.181 4.177 4.340 0.030 0.000 0.238 260 R C 2.435 178.734 176.300 -0.003 0.000 1.136 260 R CA 1.558 57.658 56.100 -0.000 0.000 0.959 260 R CB -0.284 30.008 30.300 -0.012 0.000 0.856 260 R HN 0.107 nan 8.270 nan 0.000 0.437 261 R N 1.273 121.782 120.500 0.014 0.000 2.075 261 R HA -0.073 4.285 4.340 0.030 0.000 0.232 261 R C 2.031 178.337 176.300 0.010 0.000 1.126 261 R CA 1.620 57.731 56.100 0.019 0.000 0.963 261 R CB -0.200 30.132 30.300 0.053 0.000 0.858 261 R HN 0.100 nan 8.270 nan 0.000 0.435 262 R N 0.040 120.544 120.500 0.008 0.000 2.075 262 R HA -0.048 4.310 4.340 0.030 0.000 0.232 262 R C 2.267 178.565 176.300 -0.004 0.000 1.126 262 R CA 1.783 57.884 56.100 0.002 0.000 0.963 262 R CB -0.207 30.092 30.300 -0.001 0.000 0.858 262 R HN 0.395 nan 8.270 nan 0.000 0.435 263 E N 0.476 120.673 120.200 -0.006 0.000 2.110 263 E HA -0.166 4.202 4.350 0.030 0.000 0.193 263 E C 2.011 178.605 176.600 -0.009 0.000 0.988 263 E CA 1.152 57.547 56.400 -0.009 0.000 0.804 263 E CB -0.085 29.609 29.700 -0.010 0.000 0.745 263 E HN 0.361 nan 8.360 nan 0.000 0.458 264 A N 0.936 123.750 122.820 -0.010 0.000 1.930 264 A HA -0.129 4.208 4.320 0.030 0.000 0.217 264 A C 2.127 179.705 177.584 -0.011 0.000 1.175 264 A CA 0.991 53.020 52.037 -0.012 0.000 0.627 264 A CB -0.460 18.531 19.000 -0.015 0.000 0.815 264 A HN 0.131 nan 8.150 nan 0.000 0.443 265 L N -1.141 120.077 121.223 -0.008 0.000 2.240 265 L HA -0.040 4.318 4.340 0.030 0.000 0.211 265 L C 2.297 179.162 176.870 -0.008 0.000 1.106 265 L CA 0.972 55.808 54.840 -0.008 0.000 0.793 265 L CB -0.249 41.807 42.059 -0.005 0.000 0.927 265 L HN 0.267 nan 8.230 nan 0.000 0.446 266 K N 0.226 120.621 120.400 -0.008 0.000 2.432 266 K HA -0.001 4.337 4.320 0.030 0.000 0.196 266 K C 1.480 178.075 176.600 -0.008 0.000 1.038 266 K CA 0.521 56.803 56.287 -0.008 0.000 0.986 266 K CB 0.187 32.682 32.500 -0.008 0.000 0.782 266 K HN 0.291 nan 8.250 nan 0.000 0.485 267 R N -0.330 120.165 120.500 -0.009 0.000 2.393 267 R HA 0.083 4.441 4.340 0.030 0.000 0.244 267 R C 0.405 176.699 176.300 -0.010 0.000 0.920 267 R CA 0.317 56.411 56.100 -0.010 0.000 1.076 267 R CB 0.766 31.059 30.300 -0.011 0.000 1.119 267 R HN 0.149 nan 8.270 nan 0.000 0.524 268 G N 2.388 111.182 108.800 -0.010 0.000 2.350 268 G HA2 -0.297 3.681 3.960 0.030 0.000 0.298 268 G HA3 -0.297 3.681 3.960 0.030 0.000 0.298 268 G C -0.350 174.542 174.900 -0.013 0.000 1.037 268 G CA 0.197 45.291 45.100 -0.011 0.000 1.074 268 G HN 0.397 nan 8.290 nan 0.000 0.511 269 E N -0.635 119.557 120.200 -0.014 0.000 2.283 269 E HA 0.407 4.774 4.350 0.030 0.000 0.271 269 E C 0.084 176.673 176.600 -0.017 0.000 1.031 269 E CA -0.687 55.704 56.400 -0.016 0.000 0.868 269 E CB 0.890 30.579 29.700 -0.017 0.000 1.094 269 E HN 0.237 nan 8.360 nan 0.000 0.401 270 E N 1.728 121.917 120.200 -0.019 0.000 1.963 270 E HA 0.144 4.512 4.350 0.030 0.000 0.274 270 E C -1.460 175.126 176.600 -0.025 0.000 1.061 270 E CA -0.290 56.097 56.400 -0.022 0.000 0.847 270 E CB 0.485 30.172 29.700 -0.023 0.000 1.083 270 E HN 0.101 nan 8.360 nan 0.000 0.402 271 V N 7.471 127.370 119.914 -0.024 0.000 2.348 271 V HA 0.297 4.435 4.120 0.030 0.000 0.270 271 V C -1.750 174.325 176.094 -0.032 0.000 1.037 271 V CA -1.732 60.552 62.300 -0.026 0.000 0.872 271 V CB 0.723 32.534 31.823 -0.019 0.000 1.002 271 V HN 0.706 nan 8.190 nan 0.000 0.464 272 P HA 0.111 nan 4.420 nan 0.000 0.262 272 P C -0.047 177.221 177.300 -0.055 0.000 1.182 272 P CA 0.103 63.173 63.100 -0.050 0.000 0.761 272 P CB 0.544 32.210 31.700 -0.057 0.000 0.795 273 A N 3.455 126.239 122.820 -0.060 0.000 2.511 273 A HA 0.335 4.673 4.320 0.030 0.000 0.242 273 A C 0.564 178.093 177.584 -0.092 0.000 1.069 273 A CA 0.154 52.151 52.037 -0.067 0.000 0.763 273 A CB -0.238 18.723 19.000 -0.065 0.000 1.001 273 A HN 0.704 nan 8.150 nan 0.000 0.498 274 D N 0.912 121.252 120.400 -0.100 0.000 3.225 274 D HA 0.308 4.965 4.640 0.030 0.000 0.294 274 D C 0.649 176.834 176.300 -0.192 0.000 1.306 274 D CA -0.441 53.470 54.000 -0.148 0.000 1.019 274 D CB -0.077 40.648 40.800 -0.126 0.000 1.344 274 D HN 0.196 nan 8.370 nan 0.000 0.615 275 I N -0.493 119.915 120.570 -0.271 0.000 2.233 275 I HA -0.087 4.101 4.170 0.030 0.000 0.243 275 I C 2.218 178.192 176.117 -0.238 0.000 1.093 275 I CA 0.580 61.661 61.300 -0.366 0.000 1.380 275 I CB -0.148 37.511 38.000 -0.567 0.000 1.067 275 I HN 0.239 nan 8.210 nan 0.000 0.413 276 L N 0.413 121.570 121.223 -0.110 0.000 2.081 276 L HA -0.231 4.127 4.340 0.030 0.000 0.212 276 L C 2.418 179.321 176.870 0.055 0.000 1.080 276 L CA 2.111 57.022 54.840 0.118 0.000 0.754 276 L CB -1.034 41.213 42.059 0.313 0.000 0.893 276 L HN 0.207 nan 8.230 nan 0.000 0.433 277 T N -0.853 113.698 114.554 -0.005 0.000 2.684 277 T HA -0.182 4.186 4.350 0.030 0.000 0.267 277 T C 1.789 176.476 174.700 -0.021 0.000 1.036 277 T CA 1.548 63.641 62.100 -0.012 0.000 1.148 277 T CB -0.160 68.687 68.868 -0.036 0.000 0.863 277 T HN 0.366 nan 8.240 nan 0.000 0.436 278 Q N 0.666 120.434 119.800 -0.053 0.000 2.245 278 Q HA 0.114 4.472 4.340 0.030 0.000 0.201 278 Q C 2.479 178.461 176.000 -0.030 0.000 0.955 278 Q CA 0.639 56.413 55.803 -0.049 0.000 0.870 278 Q CB -0.513 28.187 28.738 -0.064 0.000 0.945 278 Q HN 0.764 nan 8.270 nan 0.000 0.461 279 I N -3.000 117.555 120.570 -0.025 0.000 2.353 279 I HA -0.165 4.023 4.170 0.030 0.000 0.248 279 I C 1.932 178.084 176.117 0.058 0.000 1.119 279 I CA 0.830 62.148 61.300 0.031 0.000 1.417 279 I CB -0.479 37.567 38.000 0.077 0.000 1.078 279 I HN -0.009 nan 8.210 nan 0.000 0.421 280 L N 1.280 122.537 121.223 0.057 0.000 2.017 280 L HA -0.194 4.164 4.340 0.030 0.000 0.208 280 L C 2.729 179.613 176.870 0.024 0.000 1.073 280 L CA 1.700 56.568 54.840 0.047 0.000 0.745 280 L CB -0.670 41.416 42.059 0.045 0.000 0.894 280 L HN 0.222 nan 8.230 nan 0.000 0.432 281 K N 0.525 120.931 120.400 0.010 0.000 2.152 281 K HA -0.137 4.201 4.320 0.030 0.000 0.206 281 K C 1.895 178.492 176.600 -0.006 0.000 1.048 281 K CA 1.437 57.722 56.287 -0.003 0.000 0.933 281 K CB -0.267 32.224 32.500 -0.014 0.000 0.721 281 K HN 0.276 nan 8.250 nan 0.000 0.447 282 A N 0.244 123.063 122.820 -0.002 0.000 2.119 282 A HA -0.013 4.325 4.320 0.030 0.000 0.217 282 A C 0.624 178.211 177.584 0.006 0.000 1.153 282 A CA 0.947 52.979 52.037 -0.008 0.000 0.692 282 A CB -0.080 18.918 19.000 -0.004 0.000 0.799 282 A HN 0.241 nan 8.150 nan 0.000 0.458 283 E N 0.078 120.288 120.200 0.017 0.000 2.723 283 E HA 0.134 4.502 4.350 0.030 0.000 0.219 283 E C 0.336 176.945 176.600 0.014 0.000 1.060 283 E CA -0.127 56.286 56.400 0.022 0.000 1.291 283 E CB 0.032 29.753 29.700 0.036 0.000 1.265 283 E HN 0.674 nan 8.360 nan 0.000 0.438 284 E N 0.574 120.779 120.200 0.007 0.000 2.005 284 E HA -0.118 4.250 4.350 0.030 0.000 0.198 284 E C 1.211 177.814 176.600 0.005 0.000 1.010 284 E CA 1.213 57.616 56.400 0.004 0.000 0.825 284 E CB -0.073 29.626 29.700 -0.001 0.000 0.769 284 E HN 0.186 nan 8.360 nan 0.000 0.456 285 G N 0.248 109.052 108.800 0.006 0.000 3.458 285 G HA2 0.389 4.367 3.960 0.030 0.000 0.256 285 G HA3 0.389 4.367 3.960 0.030 0.000 0.256 285 G C -0.674 174.232 174.900 0.010 0.000 0.938 285 G CA 0.054 45.158 45.100 0.007 0.000 1.890 285 G HN 0.225 nan 8.290 nan 0.000 0.639 286 A N 0.852 123.679 122.820 0.010 0.000 2.288 286 A HA 0.521 4.859 4.320 0.030 0.000 0.320 286 A C 1.006 178.596 177.584 0.009 0.000 1.217 286 A CA -0.621 51.424 52.037 0.013 0.000 0.840 286 A CB 1.000 20.010 19.000 0.016 0.000 1.179 286 A HN 0.499 nan 8.150 nan 0.000 0.504 287 Q N 0.704 120.510 119.800 0.010 0.000 2.291 287 Q HA -0.066 4.291 4.340 0.030 0.000 0.206 287 Q C -0.263 175.740 176.000 0.005 0.000 0.976 287 Q CA 1.794 57.601 55.803 0.007 0.000 0.875 287 Q CB -0.118 28.625 28.738 0.009 0.000 0.927 287 Q HN 0.963 nan 8.270 nan 0.000 0.450 288 D N -2.335 118.069 120.400 0.006 0.000 2.664 288 D HA 0.133 4.791 4.640 0.030 0.000 0.292 288 D C -0.696 175.606 176.300 0.003 0.000 1.214 288 D CA -0.731 53.270 54.000 0.001 0.000 0.932 288 D CB 0.275 41.075 40.800 0.000 0.000 1.420 288 D HN -0.326 nan 8.370 nan 0.000 0.471 289 D N -0.738 119.658 120.400 -0.006 0.000 2.328 289 D HA 0.008 4.665 4.640 0.030 0.000 0.221 289 D C 0.993 177.294 176.300 0.002 0.000 1.072 289 D CA 0.157 54.153 54.000 -0.006 0.000 0.850 289 D CB 0.352 41.135 40.800 -0.029 0.000 0.922 289 D HN 0.306 nan 8.370 nan 0.000 0.516 290 E N 0.618 120.823 120.200 0.007 0.000 2.058 290 E HA -0.142 4.225 4.350 0.030 0.000 0.194 290 E C 2.107 178.732 176.600 0.042 0.000 0.997 290 E CA 0.985 57.395 56.400 0.017 0.000 0.801 290 E CB -0.451 29.260 29.700 0.019 0.000 0.746 290 E HN 0.328 nan 8.360 nan 0.000 0.450 291 G N 1.683 110.512 108.800 0.050 0.000 2.459 291 G HA2 -0.261 3.717 3.960 0.030 0.000 0.217 291 G HA3 -0.261 3.717 3.960 0.030 0.000 0.217 291 G C 1.650 176.608 174.900 0.095 0.000 1.183 291 G CA 1.011 46.154 45.100 0.072 0.000 0.776 291 G HN 0.281 nan 8.290 nan 0.000 0.552 292 L N 0.606 121.879 121.223 0.082 0.000 2.043 292 L HA -0.017 4.341 4.340 0.030 0.000 0.212 292 L C 2.656 179.614 176.870 0.147 0.000 1.075 292 L CA 1.593 56.499 54.840 0.110 0.000 0.752 292 L CB -0.497 41.606 42.059 0.074 0.000 0.891 292 L HN 0.245 nan 8.230 nan 0.000 0.432 293 L N -0.755 120.520 121.223 0.086 0.000 2.141 293 L HA -0.158 4.200 4.340 0.030 0.000 0.209 293 L C 2.208 179.159 176.870 0.135 0.000 1.094 293 L CA 0.911 55.799 54.840 0.081 0.000 0.763 293 L CB -0.896 41.148 42.059 -0.025 0.000 0.908 293 L HN 0.260 nan 8.230 nan 0.000 0.437 294 D N 0.193 120.665 120.400 0.119 0.000 2.092 294 D HA -0.187 4.470 4.640 0.030 0.000 0.193 294 D C 1.990 178.407 176.300 0.195 0.000 0.994 294 D CA 1.192 55.271 54.000 0.132 0.000 0.828 294 D CB -0.294 40.586 40.800 0.134 0.000 0.963 294 D HN 0.170 nan 8.370 nan 0.000 0.450 295 N N -0.249 118.602 118.700 0.252 0.000 2.244 295 N HA -0.118 4.640 4.740 0.030 0.000 0.183 295 N C 1.597 177.392 175.510 0.475 0.000 1.016 295 N CA 0.204 53.479 53.050 0.375 0.000 0.866 295 N CB -0.355 38.345 38.487 0.354 0.000 0.980 295 N HN 0.181 nan 8.380 nan 0.000 0.430 296 F N 1.360 121.460 119.950 0.250 0.000 2.051 296 F HA -0.181 4.362 4.527 0.028 0.000 0.296 296 F C 2.135 178.062 175.800 0.212 0.000 1.122 296 F CA 1.213 59.352 58.000 0.231 0.000 1.201 296 F CB -0.468 38.499 39.000 -0.054 0.000 0.978 296 F HN -0.204 nan 8.300 nan 0.000 0.472 297 V N 0.197 120.173 119.914 0.104 0.000 2.343 297 V HA -0.322 3.815 4.120 0.030 0.000 0.247 297 V C 2.323 178.320 176.094 -0.160 0.000 1.051 297 V CA 2.354 64.575 62.300 -0.133 0.000 1.036 297 V CB -1.266 30.428 31.823 -0.215 0.000 0.654 297 V HN 0.484 nan 8.190 nan 0.000 0.451 298 T N 0.185 114.726 114.554 -0.021 0.000 2.635 298 T HA -0.238 4.129 4.350 0.030 0.000 0.267 298 T C 1.671 176.417 174.700 0.077 0.000 1.040 298 T CA 2.199 64.379 62.100 0.133 0.000 1.156 298 T CB -0.433 68.561 68.868 0.210 0.000 0.863 298 T HN 0.397 nan 8.240 nan 0.000 0.430 299 F N -0.168 119.882 119.950 0.167 0.000 2.234 299 F HA 0.182 4.725 4.527 0.028 0.000 0.296 299 F C 1.972 177.882 175.800 0.184 0.000 1.089 299 F CA 0.344 58.437 58.000 0.156 0.000 1.343 299 F CB -0.514 38.563 39.000 0.128 0.000 1.040 299 F HN 0.057 nan 8.300 nan 0.000 0.498 300 F N 0.472 120.523 119.950 0.169 0.000 2.120 300 F HA -0.279 4.266 4.527 0.030 0.000 0.300 300 F C 2.010 177.954 175.800 0.240 0.000 1.095 300 F CA 1.455 59.521 58.000 0.110 0.000 1.249 300 F CB -0.153 38.656 39.000 -0.318 0.000 0.995 300 F HN -0.168 nan 8.300 nan 0.000 0.480 301 I N 0.001 120.773 120.570 0.336 0.000 2.385 301 I HA -0.021 4.167 4.170 0.030 0.000 0.244 301 I C 2.725 178.910 176.117 0.112 0.000 1.089 301 I CA 1.248 62.715 61.300 0.279 0.000 1.410 301 I CB -2.132 36.010 38.000 0.238 0.000 1.117 301 I HN 0.124 nan 8.210 nan 0.000 0.429 302 A N 0.860 123.754 122.820 0.123 0.000 1.978 302 A HA -0.091 4.246 4.320 0.030 0.000 0.220 302 A C 2.297 179.855 177.584 -0.043 0.000 1.170 302 A CA 1.869 53.905 52.037 -0.001 0.000 0.636 302 A CB -1.278 17.665 19.000 -0.094 0.000 0.810 302 A HN 0.459 nan 8.150 nan 0.000 0.448 303 G N -1.932 106.873 108.800 0.009 0.000 2.920 303 G HA2 0.077 4.054 3.960 0.030 0.000 0.208 303 G HA3 0.077 4.054 3.960 0.030 0.000 0.208 303 G C 1.149 176.093 174.900 0.074 0.000 1.159 303 G CA 1.096 46.191 45.100 -0.008 0.000 0.784 303 G HN 0.863 nan 8.290 nan 0.000 0.535 304 H N -1.095 117.958 119.070 -0.028 0.000 3.067 304 H HA 0.147 4.722 4.556 0.031 0.000 0.241 304 H C 1.770 177.097 175.328 -0.001 0.000 0.961 304 H CA 0.819 56.859 56.048 -0.014 0.000 1.123 304 H CB 0.098 29.819 29.762 -0.069 0.000 1.448 304 H HN 0.287 nan 8.280 nan 0.000 0.457 305 E N 2.465 122.245 120.200 -0.700 0.000 2.028 305 E HA -0.114 4.254 4.350 0.030 0.000 0.191 305 E C 2.152 178.624 176.600 -0.213 0.000 0.988 305 E CA 2.916 58.973 56.400 -0.571 0.000 0.799 305 E CB -0.322 29.111 29.700 -0.445 0.000 0.755 305 E HN 0.506 nan 8.360 nan 0.000 0.447 306 T N -2.033 112.442 114.554 -0.131 0.000 2.951 306 T HA -0.005 4.363 4.350 0.030 0.000 0.268 306 T C 2.120 176.831 174.700 0.018 0.000 1.073 306 T CA 1.118 63.187 62.100 -0.052 0.000 1.134 306 T CB -0.350 68.478 68.868 -0.066 0.000 0.884 306 T HN 0.006 nan 8.240 nan 0.000 0.479 307 S N 1.911 117.632 115.700 0.035 0.000 2.355 307 S HA 0.137 4.625 4.470 0.030 0.000 0.222 307 S C 2.658 177.295 174.600 0.061 0.000 1.031 307 S CA 0.924 59.186 58.200 0.104 0.000 0.993 307 S CB -0.814 62.458 63.200 0.121 0.000 0.859 307 S HN 0.742 nan 8.310 nan 0.000 0.453 308 A N 2.039 124.863 122.820 0.005 0.000 1.933 308 A HA -0.162 4.176 4.320 0.030 0.000 0.218 308 A C 1.842 179.374 177.584 -0.088 0.000 1.175 308 A CA 1.697 53.710 52.037 -0.041 0.000 0.628 308 A CB -0.810 18.164 19.000 -0.042 0.000 0.814 308 A HN 0.630 nan 8.150 nan 0.000 0.444 309 N N -1.775 116.880 118.700 -0.074 0.000 2.171 309 N HA -0.171 4.587 4.740 0.030 0.000 0.184 309 N C 1.889 177.401 175.510 0.003 0.000 1.021 309 N CA 1.100 54.066 53.050 -0.139 0.000 0.854 309 N CB -0.272 38.184 38.487 -0.052 0.000 0.994 309 N HN 0.668 nan 8.380 nan 0.000 0.426 310 H N 1.576 120.673 119.070 0.045 0.000 2.319 310 H HA -0.007 4.567 4.556 0.031 0.000 0.299 310 H C 1.965 177.341 175.328 0.079 0.000 1.092 310 H CA 1.389 57.519 56.048 0.136 0.000 1.302 310 H CB -0.495 29.309 29.762 0.071 0.000 1.373 310 H HN 0.123 nan 8.280 nan 0.000 0.497 311 L N -0.346 120.816 121.223 -0.102 0.000 2.012 311 L HA -0.186 4.171 4.340 0.030 0.000 0.210 311 L C 2.877 179.633 176.870 -0.190 0.000 1.073 311 L CA 1.186 55.904 54.840 -0.204 0.000 0.748 311 L CB -0.751 41.219 42.059 -0.149 0.000 0.891 311 L HN 0.428 nan 8.230 nan 0.000 0.431 312 A N -0.145 122.552 122.820 -0.205 0.000 1.883 312 A HA -0.245 4.093 4.320 0.030 0.000 0.217 312 A C 2.027 179.455 177.584 -0.259 0.000 1.186 312 A CA 1.732 53.597 52.037 -0.287 0.000 0.624 312 A CB -0.890 17.878 19.000 -0.387 0.000 0.822 312 A HN 0.295 nan 8.150 nan 0.000 0.444 313 F N 0.836 120.679 119.950 -0.177 0.000 2.134 313 F HA -0.135 4.411 4.527 0.032 0.000 0.299 313 F C 2.795 178.453 175.800 -0.237 0.000 1.097 313 F CA 1.747 59.593 58.000 -0.257 0.000 1.264 313 F CB -1.143 37.755 39.000 -0.171 0.000 1.001 313 F HN 0.170 nan 8.300 nan 0.000 0.479 314 T N -0.339 114.238 114.554 0.038 0.000 2.674 314 T HA -0.153 4.214 4.350 0.030 0.000 0.265 314 T C 2.317 176.935 174.700 -0.138 0.000 1.039 314 T CA 1.588 63.666 62.100 -0.037 0.000 1.150 314 T CB -0.774 68.027 68.868 -0.112 0.000 0.864 314 T HN 0.022 nan 8.240 nan 0.000 0.427 315 V N 1.986 121.774 119.914 -0.210 0.000 2.287 315 V HA -0.251 3.887 4.120 0.030 0.000 0.248 315 V C 2.490 178.433 176.094 -0.252 0.000 1.053 315 V CA 2.099 64.212 62.300 -0.311 0.000 1.027 315 V CB -0.682 30.859 31.823 -0.470 0.000 0.646 315 V HN 0.494 nan 8.190 nan 0.000 0.447 316 M N -0.101 119.368 119.600 -0.220 0.000 2.065 316 M HA -0.250 4.248 4.480 0.030 0.000 0.259 316 M C 2.245 178.525 176.300 -0.034 0.000 1.069 316 M CA 2.581 57.772 55.300 -0.182 0.000 1.110 316 M CB -0.223 32.243 32.600 -0.224 0.000 1.328 316 M HN 0.392 nan 8.290 nan 0.000 0.405 317 E N 0.636 120.777 120.200 -0.098 0.000 2.051 317 E HA -0.161 4.207 4.350 0.030 0.000 0.192 317 E C 1.852 178.323 176.600 -0.214 0.000 0.991 317 E CA 1.636 57.930 56.400 -0.176 0.000 0.799 317 E CB -0.611 28.816 29.700 -0.456 0.000 0.748 317 E HN 0.659 nan 8.360 nan 0.000 0.449 318 L N 0.742 121.845 121.223 -0.200 0.000 2.265 318 L HA -0.143 4.215 4.340 0.030 0.000 0.215 318 L C 2.433 179.291 176.870 -0.021 0.000 1.117 318 L CA 1.200 55.972 54.840 -0.113 0.000 0.782 318 L CB -0.613 41.407 42.059 -0.066 0.000 0.914 318 L HN 0.247 nan 8.230 nan 0.000 0.441 319 S N 0.955 116.658 115.700 0.004 0.000 2.442 319 S HA -0.207 4.281 4.470 0.030 0.000 0.236 319 S C 1.728 176.389 174.600 0.103 0.000 1.007 319 S CA 0.818 59.060 58.200 0.069 0.000 0.965 319 S CB -0.279 62.958 63.200 0.063 0.000 0.773 319 S HN 0.666 nan 8.310 nan 0.000 0.504 320 R N -0.015 120.540 120.500 0.092 0.000 2.633 320 R HA 0.355 4.713 4.340 0.030 0.000 0.348 320 R C -0.234 176.060 176.300 -0.011 0.000 1.100 320 R CA -0.421 55.704 56.100 0.041 0.000 1.068 320 R CB 0.146 30.425 30.300 -0.035 0.000 1.351 320 R HN 0.210 nan 8.270 nan 0.000 0.575 321 Q N 1.118 120.923 119.800 0.009 0.000 2.928 321 Q HA 0.200 4.558 4.340 0.030 0.000 0.353 321 Q C -2.164 173.880 176.000 0.073 0.000 0.870 321 Q CA -1.704 54.120 55.803 0.034 0.000 0.963 321 Q CB 1.888 30.632 28.738 0.011 0.000 1.419 321 Q HN 0.183 nan 8.270 nan 0.000 0.396 322 P HA -0.164 nan 4.420 nan 0.000 0.217 322 P C 0.599 177.948 177.300 0.082 0.000 1.150 322 P CA 1.302 64.446 63.100 0.074 0.000 0.832 322 P CB 0.593 32.330 31.700 0.061 0.000 0.787 323 E N -0.022 120.227 120.200 0.082 0.000 2.077 323 E HA -0.111 4.257 4.350 0.030 0.000 0.193 323 E C 2.189 178.858 176.600 0.115 0.000 0.989 323 E CA 0.898 57.346 56.400 0.080 0.000 0.800 323 E CB -1.019 28.723 29.700 0.069 0.000 0.746 323 E HN 0.264 nan 8.360 nan 0.000 0.452 324 I N 0.273 120.948 120.570 0.174 0.000 2.226 324 I HA -0.251 3.937 4.170 0.030 0.000 0.245 324 I C 2.052 178.326 176.117 0.263 0.000 1.100 324 I CA 0.702 62.174 61.300 0.287 0.000 1.374 324 I CB -0.179 38.029 38.000 0.347 0.000 1.057 324 I HN 0.009 nan 8.210 nan 0.000 0.413 325 V N 1.016 121.036 119.914 0.176 0.000 2.332 325 V HA -0.323 3.815 4.120 0.030 0.000 0.248 325 V C 2.718 178.889 176.094 0.128 0.000 1.055 325 V CA 2.037 64.426 62.300 0.149 0.000 1.038 325 V CB -1.063 30.832 31.823 0.120 0.000 0.651 325 V HN 0.512 nan 8.190 nan 0.000 0.450 326 A N -0.165 122.714 122.820 0.098 0.000 1.902 326 A HA -0.230 4.108 4.320 0.030 0.000 0.217 326 A C 2.389 179.999 177.584 0.043 0.000 1.181 326 A CA 1.853 53.928 52.037 0.063 0.000 0.623 326 A CB -0.490 18.537 19.000 0.043 0.000 0.818 326 A HN 0.506 nan 8.150 nan 0.000 0.443 327 R N -0.608 119.907 120.500 0.025 0.000 2.073 327 R HA -0.077 4.281 4.340 0.030 0.000 0.234 327 R C 2.125 178.454 176.300 0.048 0.000 1.134 327 R CA 1.545 57.593 56.100 -0.088 0.000 0.952 327 R CB -0.625 29.424 30.300 -0.417 0.000 0.850 327 R HN 0.524 nan 8.270 nan 0.000 0.433 328 L N 0.772 122.132 121.223 0.230 0.000 2.013 328 L HA -0.273 4.085 4.340 0.030 0.000 0.212 328 L C 2.648 179.600 176.870 0.135 0.000 1.073 328 L CA 1.648 56.635 54.840 0.245 0.000 0.753 328 L CB -0.544 41.651 42.059 0.227 0.000 0.890 328 L HN 0.255 nan 8.230 nan 0.000 0.432 329 Q N -0.387 119.476 119.800 0.106 0.000 2.061 329 Q HA -0.229 4.129 4.340 0.030 0.000 0.204 329 Q C 2.471 178.504 176.000 0.056 0.000 0.984 329 Q CA 1.739 57.588 55.803 0.077 0.000 0.846 329 Q CB -0.369 28.411 28.738 0.070 0.000 0.902 329 Q HN 0.574 nan 8.270 nan 0.000 0.421 330 A N 1.322 124.167 122.820 0.041 0.000 1.892 330 A HA -0.328 4.010 4.320 0.030 0.000 0.218 330 A C 1.962 179.562 177.584 0.026 0.000 1.188 330 A CA 1.978 54.027 52.037 0.020 0.000 0.631 330 A CB -0.771 18.224 19.000 -0.007 0.000 0.822 330 A HN 0.518 nan 8.150 nan 0.000 0.447 331 E N -0.520 119.704 120.200 0.040 0.000 2.110 331 E HA -0.133 4.235 4.350 0.030 0.000 0.193 331 E C 1.855 178.487 176.600 0.054 0.000 0.988 331 E CA 1.368 57.800 56.400 0.054 0.000 0.804 331 E CB -0.151 29.609 29.700 0.100 0.000 0.745 331 E HN 0.302 nan 8.360 nan 0.000 0.458 332 V N 1.816 121.766 119.914 0.060 0.000 2.358 332 V HA -0.232 3.906 4.120 0.030 0.000 0.246 332 V C 1.716 177.834 176.094 0.040 0.000 1.047 332 V CA 2.095 64.425 62.300 0.050 0.000 1.035 332 V CB -0.454 31.403 31.823 0.056 0.000 0.658 332 V HN 0.330 nan 8.190 nan 0.000 0.452 333 D N -0.153 120.270 120.400 0.038 0.000 2.104 333 D HA -0.184 4.473 4.640 0.030 0.000 0.194 333 D C 2.146 178.462 176.300 0.026 0.000 0.994 333 D CA 1.507 55.525 54.000 0.031 0.000 0.830 333 D CB -0.203 40.614 40.800 0.028 0.000 0.959 333 D HN 0.572 nan 8.370 nan 0.000 0.452 334 E N 0.211 120.425 120.200 0.025 0.000 2.017 334 E HA -0.149 4.219 4.350 0.030 0.000 0.193 334 E C 2.383 178.997 176.600 0.023 0.000 0.997 334 E CA 1.478 57.891 56.400 0.021 0.000 0.804 334 E CB -0.143 29.568 29.700 0.019 0.000 0.757 334 E HN 0.266 nan 8.360 nan 0.000 0.448 335 V N 0.514 120.443 119.914 0.025 0.000 2.407 335 V HA -0.110 4.028 4.120 0.030 0.000 0.245 335 V C 2.032 178.140 176.094 0.024 0.000 1.041 335 V CA 1.728 64.041 62.300 0.023 0.000 1.040 335 V CB -0.503 31.332 31.823 0.019 0.000 0.671 335 V HN 0.404 nan 8.190 nan 0.000 0.455 336 I N -2.607 117.979 120.570 0.026 0.000 3.790 336 I HA 0.665 4.853 4.170 0.030 0.000 0.305 336 I C 1.555 177.692 176.117 0.034 0.000 1.253 336 I CA 0.681 61.999 61.300 0.030 0.000 1.355 336 I CB 0.021 38.036 38.000 0.026 0.000 1.137 336 I HN 0.533 nan 8.210 nan 0.000 0.435 337 G N 2.895 111.714 108.800 0.031 0.000 2.523 337 G HA2 -0.353 3.625 3.960 0.030 0.000 0.271 337 G HA3 -0.353 3.625 3.960 0.030 0.000 0.271 337 G C 0.607 175.527 174.900 0.033 0.000 1.146 337 G CA 0.763 45.882 45.100 0.031 0.000 0.961 337 G HN 0.783 nan 8.290 nan 0.000 0.549 338 S N 0.330 116.049 115.700 0.033 0.000 2.572 338 S HA 0.396 4.884 4.470 0.030 0.000 0.228 338 S C 0.764 175.389 174.600 0.041 0.000 0.963 338 S CA 1.086 59.307 58.200 0.035 0.000 0.939 338 S CB 0.381 63.600 63.200 0.031 0.000 0.804 338 S HN 0.809 nan 8.310 nan 0.000 0.480 339 K N 1.609 122.036 120.400 0.045 0.000 2.518 339 K HA 0.063 4.401 4.320 0.030 0.000 0.276 339 K C 1.070 177.710 176.600 0.067 0.000 0.974 339 K CA -0.060 56.263 56.287 0.059 0.000 0.986 339 K CB 0.374 32.913 32.500 0.064 0.000 0.901 339 K HN 0.264 nan 8.250 nan 0.000 0.497 340 R N 2.067 122.621 120.500 0.090 0.000 2.128 340 R HA 0.005 4.362 4.340 0.030 0.000 0.211 340 R C -0.185 176.193 176.300 0.131 0.000 1.067 340 R CA 0.404 56.563 56.100 0.098 0.000 1.010 340 R CB 0.181 30.541 30.300 0.100 0.000 0.922 340 R HN 0.605 nan 8.270 nan 0.000 0.457 341 Y N 0.810 121.128 120.300 0.030 0.000 2.331 341 Y HA 0.344 4.908 4.550 0.023 0.000 0.338 341 Y C -1.202 174.720 175.900 0.036 0.000 0.992 341 Y CA -1.052 57.068 58.100 0.033 0.000 1.121 341 Y CB 0.939 39.415 38.460 0.027 0.000 1.184 341 Y HN -0.104 nan 8.280 nan 0.000 0.469 342 L N 6.547 127.585 121.223 -0.307 0.000 2.290 342 L HA 0.239 4.597 4.340 0.030 0.000 0.284 342 L C -0.027 176.755 176.870 -0.147 0.000 1.078 342 L CA 0.093 54.837 54.840 -0.159 0.000 0.815 342 L CB 0.540 42.514 42.059 -0.143 0.000 1.162 342 L HN 0.646 nan 8.230 nan 0.000 0.435 343 D N 1.669 122.116 120.400 0.078 0.000 2.312 343 D HA 0.011 4.669 4.640 0.030 0.000 0.248 343 D C 0.955 177.329 176.300 0.123 0.000 1.086 343 D CA -0.251 53.857 54.000 0.180 0.000 0.948 343 D CB 1.110 42.022 40.800 0.187 0.000 1.162 343 D HN 0.415 nan 8.370 nan 0.000 0.446 344 F N 1.541 121.524 119.950 0.055 0.000 2.087 344 F HA -0.269 4.275 4.527 0.027 0.000 0.299 344 F C 2.342 178.163 175.800 0.035 0.000 1.100 344 F CA 2.096 60.118 58.000 0.035 0.000 1.226 344 F CB 0.093 39.111 39.000 0.030 0.000 0.983 344 F HN 0.514 nan 8.300 nan 0.000 0.479 345 E N -0.567 119.672 120.200 0.064 0.000 2.153 345 E HA -0.246 4.121 4.350 0.030 0.000 0.194 345 E C 1.656 178.202 176.600 -0.089 0.000 0.988 345 E CA 1.528 57.913 56.400 -0.026 0.000 0.811 345 E CB -0.702 29.045 29.700 0.079 0.000 0.746 345 E HN 0.434 nan 8.360 nan 0.000 0.466 346 D N 1.318 121.684 120.400 -0.056 0.000 2.149 346 D HA -0.148 4.509 4.640 0.030 0.000 0.198 346 D C 2.185 178.428 176.300 -0.096 0.000 0.990 346 D CA 1.104 55.074 54.000 -0.050 0.000 0.839 346 D CB -0.129 40.660 40.800 -0.019 0.000 0.948 346 D HN 0.306 nan 8.370 nan 0.000 0.460 347 L N 0.666 121.783 121.223 -0.177 0.000 2.012 347 L HA -0.148 4.210 4.340 0.030 0.000 0.210 347 L C 2.712 179.482 176.870 -0.166 0.000 1.073 347 L CA 1.568 56.294 54.840 -0.189 0.000 0.748 347 L CB -1.023 40.861 42.059 -0.291 0.000 0.891 347 L HN 0.086 nan 8.230 nan 0.000 0.431 348 G N 0.034 108.702 108.800 -0.221 0.000 2.475 348 G HA2 -0.252 3.726 3.960 0.030 0.000 0.220 348 G HA3 -0.252 3.726 3.960 0.030 0.000 0.220 348 G C 1.687 176.550 174.900 -0.062 0.000 1.125 348 G CA 0.541 45.559 45.100 -0.136 0.000 0.755 348 G HN 0.375 nan 8.290 nan 0.000 0.565 349 R N -0.450 120.020 120.500 -0.051 0.000 2.299 349 R HA 0.216 4.574 4.340 0.030 0.000 0.197 349 R C 0.543 176.846 176.300 0.005 0.000 0.971 349 R CA -0.139 55.953 56.100 -0.013 0.000 1.030 349 R CB -0.060 30.237 30.300 -0.005 0.000 0.932 349 R HN 0.279 nan 8.270 nan 0.000 0.477 350 L N 2.210 123.429 121.223 -0.006 0.000 2.391 350 L HA 0.057 4.415 4.340 0.030 0.000 0.249 350 L C 1.606 178.495 176.870 0.031 0.000 1.308 350 L CA -0.196 54.655 54.840 0.019 0.000 1.209 350 L CB 0.321 42.382 42.059 0.003 0.000 1.401 350 L HN 0.079 nan 8.230 nan 0.000 0.416 351 Q N 0.543 120.377 119.800 0.057 0.000 2.096 351 Q HA -0.193 4.165 4.340 0.030 0.000 0.197 351 Q C 1.793 177.851 176.000 0.097 0.000 0.964 351 Q CA 1.561 57.403 55.803 0.064 0.000 0.838 351 Q CB 0.004 28.784 28.738 0.070 0.000 0.906 351 Q HN 0.697 nan 8.270 nan 0.000 0.444 352 Y N 0.570 120.883 120.300 0.021 0.000 2.242 352 Y HA -0.249 4.318 4.550 0.029 0.000 0.291 352 Y C 2.085 178.005 175.900 0.033 0.000 1.137 352 Y CA 1.130 59.248 58.100 0.029 0.000 1.181 352 Y CB 0.031 38.511 38.460 0.034 0.000 0.989 352 Y HN 0.168 nan 8.280 nan 0.000 0.527 353 L N -0.633 120.591 121.223 0.000 0.000 2.056 353 L HA -0.154 4.204 4.340 0.030 0.000 0.207 353 L C 2.573 179.391 176.870 -0.087 0.000 1.078 353 L CA 2.179 56.987 54.840 -0.053 0.000 0.749 353 L CB -1.306 40.762 42.059 0.015 0.000 0.901 353 L HN 0.229 nan 8.230 nan 0.000 0.433 354 S N -0.954 114.712 115.700 -0.057 0.000 2.359 354 S HA -0.279 4.209 4.470 0.030 0.000 0.224 354 S C 1.968 176.490 174.600 -0.129 0.000 1.035 354 S CA 1.782 59.946 58.200 -0.060 0.000 1.018 354 S CB -0.229 62.953 63.200 -0.030 0.000 0.876 354 S HN 0.687 nan 8.310 nan 0.000 0.448 355 Q N -0.141 119.565 119.800 -0.156 0.000 2.135 355 Q HA -0.082 4.276 4.340 0.030 0.000 0.204 355 Q C 2.243 178.064 176.000 -0.299 0.000 0.981 355 Q CA 1.738 57.420 55.803 -0.202 0.000 0.856 355 Q CB -0.227 28.427 28.738 -0.140 0.000 0.902 355 Q HN 0.449 nan 8.270 nan 0.000 0.425 356 V N 0.750 120.464 119.914 -0.333 0.000 2.358 356 V HA -0.225 3.913 4.120 0.030 0.000 0.246 356 V C 2.086 178.157 176.094 -0.039 0.000 1.047 356 V CA 1.392 63.562 62.300 -0.217 0.000 1.035 356 V CB -0.408 31.323 31.823 -0.155 0.000 0.658 356 V HN 0.330 nan 8.190 nan 0.000 0.452 357 L N -0.530 120.678 121.223 -0.024 0.000 2.093 357 L HA -0.163 4.195 4.340 0.030 0.000 0.208 357 L C 2.556 179.475 176.870 0.081 0.000 1.085 357 L CA 1.588 56.504 54.840 0.126 0.000 0.755 357 L CB -0.596 41.558 42.059 0.158 0.000 0.904 357 L HN 0.255 nan 8.230 nan 0.000 0.435 358 K N -0.123 120.160 120.400 -0.195 0.000 2.057 358 K HA -0.241 4.097 4.320 0.030 0.000 0.207 358 K C 2.073 178.357 176.600 -0.528 0.000 1.049 358 K CA 1.573 57.556 56.287 -0.507 0.000 0.931 358 K CB -0.075 31.674 32.500 -1.252 0.000 0.714 358 K HN 0.096 nan 8.250 nan 0.000 0.440 359 E N 0.690 120.632 120.200 -0.429 0.000 2.208 359 E HA -0.100 4.268 4.350 0.030 0.000 0.193 359 E C 1.902 178.424 176.600 -0.129 0.000 0.988 359 E CA 0.988 57.207 56.400 -0.303 0.000 0.828 359 E CB -0.063 29.293 29.700 -0.572 0.000 0.763 359 E HN 0.090 nan 8.360 nan 0.000 0.478 360 S N -0.666 115.126 115.700 0.153 0.000 2.368 360 S HA -0.039 4.448 4.470 0.030 0.000 0.224 360 S C 1.814 176.566 174.600 0.254 0.000 1.029 360 S CA 0.922 59.407 58.200 0.475 0.000 0.988 360 S CB -0.242 63.277 63.200 0.531 0.000 0.838 360 S HN 0.378 nan 8.310 nan 0.000 0.462 361 L N 0.959 122.252 121.223 0.117 0.000 2.141 361 L HA -0.016 4.342 4.340 0.030 0.000 0.209 361 L C 2.856 179.710 176.870 -0.028 0.000 1.094 361 L CA 1.181 55.991 54.840 -0.051 0.000 0.763 361 L CB -0.418 41.514 42.059 -0.213 0.000 0.908 361 L HN 0.324 nan 8.230 nan 0.000 0.437 362 R N 0.461 121.010 120.500 0.082 0.000 2.066 362 R HA -0.134 4.224 4.340 0.030 0.000 0.232 362 R C 2.253 178.367 176.300 -0.310 0.000 1.131 362 R CA 1.399 57.494 56.100 -0.009 0.000 0.955 362 R CB -0.090 30.111 30.300 -0.165 0.000 0.851 362 R HN 0.313 nan 8.270 nan 0.000 0.432 363 L N -0.690 120.280 121.223 -0.421 0.000 2.209 363 L HA -0.022 4.336 4.340 0.030 0.000 0.207 363 L C 0.277 176.573 176.870 -0.957 0.000 1.094 363 L CA 0.676 55.044 54.840 -0.787 0.000 0.790 363 L CB 0.294 41.750 42.059 -1.004 0.000 0.932 363 L HN 0.212 nan 8.230 nan 0.000 0.447 364 Y N -0.224 119.910 120.300 -0.278 0.000 2.562 364 Y HA 0.302 4.870 4.550 0.031 0.000 0.363 364 Y C -2.323 173.376 175.900 -0.335 0.000 0.991 364 Y CA -2.597 55.171 58.100 -0.553 0.000 1.121 364 Y CB 0.186 37.928 38.460 -1.196 0.000 1.159 364 Y HN -0.060 nan 8.280 nan 0.000 0.651 365 P HA 0.191 nan 4.420 nan 0.000 0.282 365 P C -2.439 174.895 177.300 0.057 0.000 1.274 365 P CA -1.788 61.268 63.100 -0.074 0.000 0.770 365 P CB 2.156 33.781 31.700 -0.124 0.000 0.867 366 P HA -0.075 nan 4.420 nan 0.000 0.217 366 P C 0.366 177.692 177.300 0.042 0.000 1.150 366 P CA 1.488 64.683 63.100 0.159 0.000 0.832 366 P CB 0.131 31.895 31.700 0.108 0.000 0.787 367 A N 0.314 123.081 122.820 -0.089 0.000 2.256 367 A HA 0.263 4.601 4.320 0.030 0.000 0.317 367 A C 0.737 178.210 177.584 -0.185 0.000 1.318 367 A CA -0.848 51.068 52.037 -0.202 0.000 0.894 367 A CB -0.126 18.733 19.000 -0.236 0.000 1.165 367 A HN 0.274 nan 8.150 nan 0.000 0.525 368 W N 2.673 123.949 121.300 -0.040 0.000 2.800 368 W HA 0.399 5.077 4.660 0.029 0.000 0.249 368 W C 0.214 176.702 176.519 -0.051 0.000 1.294 368 W CA 0.469 57.787 57.345 -0.046 0.000 1.402 368 W CB -0.379 29.053 29.460 -0.046 0.000 1.126 368 W HN 0.853 nan 8.180 nan 0.000 0.652 369 G N -0.146 108.463 108.800 -0.318 0.000 2.512 369 G HA2 0.330 4.307 3.960 0.030 0.000 0.181 369 G HA3 0.330 4.307 3.960 0.030 0.000 0.181 369 G C -1.216 173.490 174.900 -0.323 0.000 1.173 369 G CA 0.136 45.171 45.100 -0.108 0.000 0.988 369 G HN 0.122 nan 8.290 nan 0.000 0.485 370 T N -1.124 113.313 114.554 -0.195 0.000 2.749 370 T HA 0.630 4.997 4.350 0.030 0.000 0.310 370 T C -2.113 172.500 174.700 -0.145 0.000 1.496 370 T CA -0.474 61.565 62.100 -0.101 0.000 1.006 370 T CB 1.140 70.034 68.868 0.044 0.000 1.457 370 T HN 0.625 nan 8.240 nan 0.000 0.497 371 F N 1.828 121.930 119.950 0.254 0.000 2.532 371 F HA 0.780 5.324 4.527 0.029 0.000 0.321 371 F C 0.516 176.489 175.800 0.289 0.000 1.089 371 F CA -1.017 57.135 58.000 0.254 0.000 0.926 371 F CB 1.724 40.800 39.000 0.127 0.000 1.168 371 F HN 0.120 nan 8.300 nan 0.000 0.459 372 R N 2.424 123.201 120.500 0.463 0.000 2.513 372 R HA 0.412 4.769 4.340 0.030 0.000 0.301 372 R C -1.473 174.952 176.300 0.209 0.000 0.968 372 R CA -1.144 55.147 56.100 0.318 0.000 0.872 372 R CB 2.224 32.708 30.300 0.307 0.000 1.177 372 R HN 0.578 nan 8.270 nan 0.000 0.444 373 L N 4.139 125.477 121.223 0.191 0.000 2.361 373 L HA 0.216 4.573 4.340 0.030 0.000 0.278 373 L C -0.617 176.332 176.870 0.132 0.000 1.113 373 L CA -0.285 54.633 54.840 0.131 0.000 0.849 373 L CB 0.289 42.420 42.059 0.120 0.000 1.155 373 L HN 0.502 nan 8.230 nan 0.000 0.452 374 L N 5.163 126.418 121.223 0.054 0.000 2.268 374 L HA 0.291 4.649 4.340 0.030 0.000 0.289 374 L C 1.081 178.000 176.870 0.082 0.000 1.064 374 L CA 0.570 55.449 54.840 0.065 0.000 0.824 374 L CB 0.446 42.459 42.059 -0.077 0.000 1.202 374 L HN 0.808 nan 8.230 nan 0.000 0.433 375 E N 2.571 122.842 120.200 0.119 0.000 2.106 375 E HA -0.055 4.313 4.350 0.030 0.000 0.192 375 E C -0.213 176.423 176.600 0.060 0.000 0.984 375 E CA 1.040 57.485 56.400 0.075 0.000 0.806 375 E CB 0.249 29.986 29.700 0.060 0.000 0.750 375 E HN 0.691 nan 8.360 nan 0.000 0.458 376 E N 0.807 121.054 120.200 0.078 0.000 2.277 376 E HA 0.162 4.529 4.350 0.030 0.000 0.266 376 E C -0.808 175.828 176.600 0.060 0.000 0.901 376 E CA -0.541 55.896 56.400 0.061 0.000 0.782 376 E CB 1.754 31.491 29.700 0.062 0.000 1.228 376 E HN 0.033 nan 8.360 nan 0.000 0.424 377 E N 1.573 121.797 120.200 0.040 0.000 2.529 377 E HA -0.017 4.351 4.350 0.030 0.000 0.259 377 E C -0.952 175.680 176.600 0.052 0.000 0.966 377 E CA 0.751 57.172 56.400 0.034 0.000 0.937 377 E CB 0.482 30.196 29.700 0.022 0.000 0.923 377 E HN 0.358 nan 8.360 nan 0.000 0.468 378 T N 3.836 118.424 114.554 0.057 0.000 2.843 378 T HA 0.323 4.691 4.350 0.030 0.000 0.302 378 T C -1.071 173.669 174.700 0.067 0.000 1.232 378 T CA -0.797 61.353 62.100 0.084 0.000 1.009 378 T CB 0.964 69.923 68.868 0.152 0.000 1.254 378 T HN 0.418 nan 8.240 nan 0.000 0.504 379 L N 2.195 123.460 121.223 0.070 0.000 2.255 379 L HA 0.590 4.948 4.340 0.030 0.000 0.289 379 L C -1.165 175.749 176.870 0.073 0.000 1.046 379 L CA -0.241 54.630 54.840 0.053 0.000 0.816 379 L CB -0.080 42.000 42.059 0.035 0.000 1.197 379 L HN 0.536 nan 8.230 nan 0.000 0.427 380 I N 4.876 125.489 120.570 0.071 0.000 2.390 380 I HA 0.260 4.447 4.170 0.030 0.000 0.283 380 I C -0.353 175.798 176.117 0.057 0.000 1.016 380 I CA -0.656 60.702 61.300 0.096 0.000 1.151 380 I CB 0.970 39.041 38.000 0.119 0.000 1.293 380 I HN 0.570 nan 8.210 nan 0.000 0.458 381 D N 5.614 126.043 120.400 0.048 0.000 2.697 381 D HA -0.189 4.469 4.640 0.030 0.000 0.238 381 D C 1.160 177.476 176.300 0.027 0.000 1.152 381 D CA 1.385 55.406 54.000 0.036 0.000 0.666 381 D CB -0.718 40.109 40.800 0.046 0.000 1.037 381 D HN 1.152 nan 8.370 nan 0.000 0.423 382 G N -1.634 107.179 108.800 0.022 0.000 2.166 382 G HA2 -0.310 3.668 3.960 0.030 0.000 0.260 382 G HA3 -0.310 3.668 3.960 0.030 0.000 0.260 382 G C 0.336 175.243 174.900 0.013 0.000 0.986 382 G CA 0.458 45.568 45.100 0.016 0.000 0.683 382 G HN 0.636 nan 8.290 nan 0.000 0.527 383 V N 0.301 120.224 119.914 0.016 0.000 2.409 383 V HA 0.500 4.638 4.120 0.030 0.000 0.291 383 V C 0.702 176.800 176.094 0.006 0.000 1.020 383 V CA -0.998 61.305 62.300 0.006 0.000 0.848 383 V CB 1.729 33.552 31.823 -0.001 0.000 0.990 383 V HN 0.391 nan 8.190 nan 0.000 0.430 384 R N 3.664 124.164 120.500 -0.000 0.000 2.288 384 R HA 0.483 4.840 4.340 0.030 0.000 0.330 384 R C -1.074 175.221 176.300 -0.008 0.000 1.069 384 R CA -0.148 55.953 56.100 0.002 0.000 0.941 384 R CB 0.673 30.973 30.300 -0.000 0.000 0.998 384 R HN 0.591 nan 8.270 nan 0.000 0.452 385 V N 8.039 127.949 119.914 -0.006 0.000 2.398 385 V HA 0.356 4.494 4.120 0.030 0.000 0.286 385 V C -1.870 174.215 176.094 -0.015 0.000 1.026 385 V CA -2.032 60.253 62.300 -0.024 0.000 0.868 385 V CB 1.452 33.247 31.823 -0.046 0.000 0.982 385 V HN 0.815 nan 8.190 nan 0.000 0.443 386 P HA 0.175 nan 4.420 nan 0.000 0.271 386 P C 0.319 177.616 177.300 -0.005 0.000 1.218 386 P CA 0.157 63.252 63.100 -0.010 0.000 0.780 386 P CB 0.851 32.542 31.700 -0.014 0.000 0.901 387 G N 1.500 110.304 108.800 0.007 0.000 2.664 387 G HA2 0.039 4.016 3.960 0.030 0.000 0.242 387 G HA3 0.039 4.016 3.960 0.030 0.000 0.242 387 G C 0.401 175.308 174.900 0.011 0.000 1.225 387 G CA -0.171 44.939 45.100 0.016 0.000 0.849 387 G HN 0.765 nan 8.290 nan 0.000 0.581 388 N N -1.496 117.216 118.700 0.020 0.000 2.740 388 N HA -0.184 4.573 4.740 0.030 0.000 0.248 388 N C -0.206 175.307 175.510 0.006 0.000 1.062 388 N CA 1.260 54.322 53.050 0.019 0.000 0.704 388 N CB -1.189 37.308 38.487 0.018 0.000 0.968 388 N HN 0.550 nan 8.380 nan 0.000 0.547 389 T N 1.298 115.849 114.554 -0.004 0.000 2.792 389 T HA 0.482 4.850 4.350 0.030 0.000 0.280 389 T C -2.700 171.985 174.700 -0.025 0.000 0.990 389 T CA -1.255 60.831 62.100 -0.024 0.000 0.960 389 T CB 1.834 70.674 68.868 -0.046 0.000 0.939 389 T HN -0.017 nan 8.240 nan 0.000 0.439 390 P HA 0.246 nan 4.420 nan 0.000 0.276 390 P C -0.674 176.643 177.300 0.029 0.000 1.264 390 P CA -0.309 62.816 63.100 0.041 0.000 0.769 390 P CB 0.171 31.877 31.700 0.009 0.000 0.840 391 L N 4.297 125.502 121.223 -0.030 0.000 2.281 391 L HA 0.339 4.697 4.340 0.030 0.000 0.285 391 L C 0.692 177.410 176.870 -0.253 0.000 1.074 391 L CA -0.592 54.086 54.840 -0.271 0.000 0.817 391 L CB 0.468 42.194 42.059 -0.555 0.000 1.168 391 L HN 0.278 nan 8.230 nan 0.000 0.434 392 L N 3.810 124.802 121.223 -0.384 0.000 2.292 392 L HA 0.493 4.850 4.340 0.030 0.000 0.284 392 L C -1.107 175.384 176.870 -0.632 0.000 1.065 392 L CA -0.097 54.449 54.840 -0.490 0.000 0.806 392 L CB 0.746 42.581 42.059 -0.373 0.000 1.175 392 L HN 0.349 nan 8.230 nan 0.000 0.431 393 F N 3.095 123.002 119.950 -0.073 0.000 2.493 393 F HA 0.396 4.941 4.527 0.029 0.000 0.329 393 F C 0.144 176.150 175.800 0.342 0.000 1.126 393 F CA -0.509 57.568 58.000 0.128 0.000 0.937 393 F CB 2.105 41.136 39.000 0.050 0.000 1.146 393 F HN 0.300 nan 8.300 nan 0.000 0.442 394 S N 1.693 117.717 115.700 0.539 0.000 2.707 394 S HA 0.211 4.699 4.470 0.030 0.000 0.312 394 S C 0.610 175.313 174.600 0.172 0.000 1.116 394 S CA -0.348 58.111 58.200 0.431 0.000 1.078 394 S CB 1.384 64.756 63.200 0.286 0.000 0.997 394 S HN 0.805 nan 8.310 nan 0.000 0.477 395 T N 3.761 118.126 114.554 -0.314 0.000 2.904 395 T HA -0.090 4.278 4.350 0.030 0.000 0.267 395 T C 1.427 175.989 174.700 -0.230 0.000 1.059 395 T CA 1.456 63.079 62.100 -0.795 0.000 1.137 395 T CB -0.494 67.593 68.868 -1.303 0.000 0.879 395 T HN 0.755 nan 8.240 nan 0.000 0.467 396 Y N 1.346 121.565 120.300 -0.136 0.000 2.114 396 Y HA -0.156 4.411 4.550 0.029 0.000 0.282 396 Y C 2.245 178.114 175.900 -0.052 0.000 1.165 396 Y CA 1.665 59.717 58.100 -0.081 0.000 1.148 396 Y CB -0.601 37.850 38.460 -0.014 0.000 0.972 396 Y HN 0.060 nan 8.280 nan 0.000 0.504 397 V N 0.391 120.426 119.914 0.201 0.000 2.270 397 V HA -0.365 3.772 4.120 0.030 0.000 0.245 397 V C 2.382 178.552 176.094 0.126 0.000 1.043 397 V CA 2.359 64.754 62.300 0.159 0.000 1.014 397 V CB -0.590 31.352 31.823 0.199 0.000 0.645 397 V HN 0.482 nan 8.190 nan 0.000 0.447 398 M N 0.165 119.885 119.600 0.200 0.000 2.117 398 M HA -0.104 4.394 4.480 0.030 0.000 0.262 398 M C 2.264 178.810 176.300 0.410 0.000 1.065 398 M CA 2.098 57.623 55.300 0.374 0.000 1.114 398 M CB -0.979 31.837 32.600 0.361 0.000 1.361 398 M HN 0.488 nan 8.290 nan 0.000 0.408 399 G N 0.116 108.999 108.800 0.138 0.000 2.479 399 G HA2 -0.203 3.775 3.960 0.030 0.000 0.220 399 G HA3 -0.203 3.775 3.960 0.030 0.000 0.220 399 G C 1.532 176.312 174.900 -0.199 0.000 1.115 399 G CA 0.689 45.694 45.100 -0.160 0.000 0.757 399 G HN 0.434 nan 8.290 nan 0.000 0.560 400 R N -0.968 119.461 120.500 -0.119 0.000 2.468 400 R HA 0.366 4.724 4.340 0.030 0.000 0.280 400 R C 0.155 176.447 176.300 -0.012 0.000 0.963 400 R CA -0.258 55.757 56.100 -0.142 0.000 1.083 400 R CB 0.414 30.538 30.300 -0.294 0.000 1.200 400 R HN 0.281 nan 8.270 nan 0.000 0.541 401 M N 1.739 121.400 119.600 0.102 0.000 2.080 401 M HA 0.055 4.553 4.480 0.030 0.000 0.350 401 M C 0.323 176.607 176.300 -0.027 0.000 1.173 401 M CA -0.402 54.906 55.300 0.012 0.000 1.052 401 M CB 1.491 34.064 32.600 -0.046 0.000 1.577 401 M HN 0.039 nan 8.290 nan 0.000 0.455 402 D N 0.630 120.988 120.400 -0.069 0.000 2.309 402 D HA -0.135 4.523 4.640 0.030 0.000 0.212 402 D C 1.146 177.357 176.300 -0.149 0.000 0.968 402 D CA 1.282 55.243 54.000 -0.066 0.000 0.882 402 D CB -0.489 40.277 40.800 -0.057 0.000 0.918 402 D HN 0.506 nan 8.370 nan 0.000 0.503 403 T N -0.602 113.774 114.554 -0.297 0.000 2.803 403 T HA -0.173 4.195 4.350 0.030 0.000 0.269 403 T C 0.819 175.240 174.700 -0.464 0.000 1.052 403 T CA 1.362 63.186 62.100 -0.459 0.000 1.136 403 T CB -0.318 68.091 68.868 -0.765 0.000 0.864 403 T HN 0.314 nan 8.240 nan 0.000 0.467 404 Y N -1.292 118.937 120.300 -0.119 0.000 2.444 404 Y HA 0.489 5.056 4.550 0.029 0.000 0.252 404 Y C 0.076 175.523 175.900 -0.756 0.000 1.091 404 Y CA -1.667 56.203 58.100 -0.384 0.000 1.276 404 Y CB 0.389 38.621 38.460 -0.379 0.000 1.170 404 Y HN 0.096 nan 8.280 nan 0.000 0.517 405 F N 0.737 120.703 119.950 0.026 0.000 2.617 405 F HA 0.286 4.831 4.527 0.030 0.000 0.325 405 F C -0.026 175.734 175.800 -0.068 0.000 1.179 405 F CA -1.588 56.388 58.000 -0.040 0.000 0.965 405 F CB 1.386 40.351 39.000 -0.057 0.000 1.232 405 F HN -0.229 nan 8.300 nan 0.000 0.461 406 E N 2.334 122.574 120.200 0.068 0.000 2.384 406 E HA 0.036 4.404 4.350 0.030 0.000 0.266 406 E C -0.482 176.133 176.600 0.024 0.000 1.012 406 E CA 0.035 56.445 56.400 0.017 0.000 0.901 406 E CB 0.417 30.109 29.700 -0.012 0.000 0.967 406 E HN 0.704 nan 8.360 nan 0.000 0.435 407 D N 3.986 124.387 120.400 0.002 0.000 2.890 407 D HA -0.140 4.518 4.640 0.030 0.000 0.226 407 D C -1.821 174.471 176.300 -0.013 0.000 1.207 407 D CA 0.351 54.346 54.000 -0.008 0.000 0.764 407 D CB 0.213 41.006 40.800 -0.011 0.000 0.948 407 D HN 0.430 nan 8.370 nan 0.000 0.404 408 P HA -0.141 nan 4.420 nan 0.000 0.220 408 P C 1.532 178.768 177.300 -0.107 0.000 1.148 408 P CA 0.810 63.885 63.100 -0.042 0.000 0.803 408 P CB 0.177 31.867 31.700 -0.017 0.000 0.782 409 L N -1.335 119.841 121.223 -0.079 0.000 2.492 409 L HA 0.056 4.414 4.340 0.030 0.000 0.223 409 L C 0.757 177.603 176.870 -0.040 0.000 1.132 409 L CA 0.449 55.241 54.840 -0.080 0.000 0.850 409 L CB -0.951 41.072 42.059 -0.060 0.000 0.966 409 L HN -0.117 nan 8.230 nan 0.000 0.454 410 T N 0.894 115.432 114.554 -0.027 0.000 2.779 410 T HA 0.052 4.419 4.350 0.030 0.000 0.296 410 T C -0.326 174.394 174.700 0.033 0.000 0.938 410 T CA -0.136 61.972 62.100 0.014 0.000 1.119 410 T CB 0.133 69.003 68.868 0.004 0.000 0.891 410 T HN -0.039 nan 8.240 nan 0.000 0.526 411 F N 5.426 125.346 119.950 -0.050 0.000 2.468 411 F HA 0.331 4.875 4.527 0.029 0.000 0.356 411 F C 0.416 176.214 175.800 -0.002 0.000 1.167 411 F CA -0.725 57.257 58.000 -0.031 0.000 1.135 411 F CB 0.020 39.028 39.000 0.013 0.000 1.197 411 F HN 0.421 nan 8.300 nan 0.000 0.569 412 N N 7.870 126.400 118.700 -0.282 0.000 2.576 412 N HA 0.403 5.160 4.740 0.030 0.000 0.269 412 N C -2.468 172.902 175.510 -0.234 0.000 1.058 412 N CA -2.328 50.621 53.050 -0.169 0.000 0.860 412 N CB 1.765 40.210 38.487 -0.070 0.000 1.249 412 N HN 0.127 nan 8.380 nan 0.000 0.525 413 P HA 0.004 nan 4.420 nan 0.000 0.226 413 P C 0.240 177.542 177.300 0.003 0.000 1.153 413 P CA 0.711 63.701 63.100 -0.183 0.000 0.777 413 P CB 0.384 31.904 31.700 -0.300 0.000 0.794 414 D N -0.515 119.909 120.400 0.041 0.000 2.309 414 D HA -0.094 4.564 4.640 0.030 0.000 0.212 414 D C 1.850 178.136 176.300 -0.023 0.000 0.968 414 D CA 0.623 54.656 54.000 0.055 0.000 0.882 414 D CB -0.291 40.542 40.800 0.054 0.000 0.918 414 D HN 0.237 nan 8.370 nan 0.000 0.503 415 R N -0.230 120.211 120.500 -0.097 0.000 2.139 415 R HA -0.123 4.234 4.340 0.030 0.000 0.243 415 R C 1.220 177.271 176.300 -0.416 0.000 1.145 415 R CA 0.877 56.812 56.100 -0.276 0.000 0.976 415 R CB -0.273 29.771 30.300 -0.426 0.000 0.866 415 R HN 0.237 nan 8.270 nan 0.000 0.449 416 F N 0.309 120.192 119.950 -0.112 0.000 2.639 416 F HA 0.265 4.810 4.527 0.031 0.000 0.300 416 F C 1.477 177.249 175.800 -0.047 0.000 1.109 416 F CA -0.542 57.399 58.000 -0.099 0.000 1.335 416 F CB 0.164 39.079 39.000 -0.142 0.000 1.014 416 F HN -0.039 nan 8.300 nan 0.000 0.537 417 G N 2.079 110.928 108.800 0.081 0.000 2.647 417 G HA2 0.141 4.119 3.960 0.030 0.000 0.234 417 G HA3 0.141 4.119 3.960 0.030 0.000 0.234 417 G C -2.259 172.678 174.900 0.061 0.000 1.252 417 G CA -0.812 44.336 45.100 0.080 0.000 0.846 417 G HN -0.038 nan 8.290 nan 0.000 0.589 418 P HA 0.202 nan 4.420 nan 0.000 0.267 418 P C 0.886 178.201 177.300 0.025 0.000 1.205 418 P CA 1.022 64.149 63.100 0.044 0.000 0.765 418 P CB 1.090 32.816 31.700 0.044 0.000 0.828 419 G N 2.015 110.825 108.800 0.016 0.000 2.258 419 G HA2 -0.172 3.805 3.960 0.030 0.000 0.233 419 G HA3 -0.172 3.805 3.960 0.030 0.000 0.233 419 G C 0.340 175.234 174.900 -0.011 0.000 1.006 419 G CA 0.045 45.147 45.100 0.004 0.000 0.620 419 G HN 0.879 nan 8.290 nan 0.000 0.511 420 A N 1.808 124.616 122.820 -0.019 0.000 2.401 420 A HA 0.661 4.999 4.320 0.030 0.000 0.259 420 A C -1.290 176.260 177.584 -0.056 0.000 1.103 420 A CA -0.588 51.418 52.037 -0.051 0.000 0.789 420 A CB 0.019 18.967 19.000 -0.085 0.000 1.035 420 A HN 0.259 nan 8.150 nan 0.000 0.491 421 P HA 0.077 nan 4.420 nan 0.000 0.264 421 P C -0.399 176.850 177.300 -0.085 0.000 1.183 421 P CA 0.238 63.300 63.100 -0.063 0.000 0.763 421 P CB 0.339 31.998 31.700 -0.068 0.000 0.807 422 K N 3.873 124.239 120.400 -0.056 0.000 2.295 422 K HA 0.208 4.545 4.320 0.030 0.000 0.270 422 K C -1.836 174.717 176.600 -0.077 0.000 1.011 422 K CA -1.313 54.948 56.287 -0.044 0.000 0.953 422 K CB -0.411 32.090 32.500 0.001 0.000 0.956 422 K HN 0.428 nan 8.250 nan 0.000 0.477 423 P HA 0.014 nan 4.420 nan 0.000 0.266 423 P C -0.871 176.380 177.300 -0.082 0.000 1.195 423 P CA 0.194 63.257 63.100 -0.061 0.000 0.768 423 P CB 0.513 32.270 31.700 0.094 0.000 0.838 424 R N 2.700 123.131 120.500 -0.114 0.000 2.346 424 R HA 0.295 4.653 4.340 0.030 0.000 0.309 424 R C -0.158 176.112 176.300 -0.050 0.000 1.119 424 R CA -0.557 55.434 56.100 -0.181 0.000 1.112 424 R CB -0.437 29.852 30.300 -0.019 0.000 1.132 424 R HN 0.478 nan 8.270 nan 0.000 0.538 425 F N -0.194 119.787 119.950 0.051 0.000 2.988 425 F HA -0.294 4.251 4.527 0.030 0.000 0.287 425 F C 1.265 177.114 175.800 0.081 0.000 0.781 425 F CA 1.197 59.217 58.000 0.033 0.000 1.221 425 F CB -1.662 37.301 39.000 -0.061 0.000 1.392 425 F HN 0.468 nan 8.300 nan 0.000 0.425 426 T N -3.535 111.155 114.554 0.227 0.000 3.132 426 T HA 0.352 4.719 4.350 0.030 0.000 0.274 426 T C -0.465 174.543 174.700 0.512 0.000 1.011 426 T CA -0.027 62.202 62.100 0.215 0.000 0.899 426 T CB 0.341 69.144 68.868 -0.108 0.000 1.089 426 T HN 0.422 nan 8.240 nan 0.000 0.543 427 Y N 1.593 122.138 120.300 0.408 0.000 2.275 427 Y HA 0.475 5.042 4.550 0.029 0.000 0.319 427 Y C -2.173 173.913 175.900 0.309 0.000 1.204 427 Y CA -2.337 55.905 58.100 0.236 0.000 1.136 427 Y CB 0.845 39.491 38.460 0.309 0.000 1.228 427 Y HN 0.237 nan 8.280 nan 0.000 0.413 428 F N 6.179 125.956 119.950 -0.290 0.000 2.599 428 F HA 0.487 5.032 4.527 0.030 0.000 0.367 428 F C -2.659 172.950 175.800 -0.318 0.000 1.517 428 F CA -2.002 55.850 58.000 -0.246 0.000 1.090 428 F CB 0.400 39.367 39.000 -0.055 0.000 1.758 428 F HN 0.114 nan 8.300 nan 0.000 0.550 429 P HA -0.043 nan 4.420 nan 0.000 0.230 429 P C 0.375 177.289 177.300 -0.644 0.000 1.158 429 P CA 1.138 63.853 63.100 -0.642 0.000 0.769 429 P CB -0.037 31.174 31.700 -0.815 0.000 0.807 430 F N -1.010 118.846 119.950 -0.158 0.000 2.698 430 F HA 0.316 4.860 4.527 0.028 0.000 0.304 430 F C 1.297 177.076 175.800 -0.036 0.000 1.108 430 F CA -0.177 57.768 58.000 -0.092 0.000 1.263 430 F CB -0.079 38.874 39.000 -0.078 0.000 1.013 430 F HN -0.163 nan 8.300 nan 0.000 0.532 431 S N 0.310 116.100 115.700 0.149 0.000 3.513 431 S HA -0.176 4.312 4.470 0.030 0.000 0.636 431 S C -0.712 173.953 174.600 0.110 0.000 2.452 431 S CA 0.378 58.678 58.200 0.167 0.000 2.644 431 S CB -0.671 62.555 63.200 0.043 0.000 0.331 431 S HN 0.258 nan 8.310 nan 0.000 1.787 432 L N 0.357 121.576 121.223 -0.007 0.000 2.479 432 L HA 0.696 5.054 4.340 0.030 0.000 0.255 432 L C 0.875 177.724 176.870 -0.034 0.000 1.026 432 L CA -0.201 54.637 54.840 -0.003 0.000 0.842 432 L CB 1.482 43.531 42.059 -0.017 0.000 1.444 432 L HN 1.629 nan 8.230 nan 0.000 0.409 433 G N 0.411 109.231 108.800 0.034 0.000 2.569 433 G HA2 -0.306 3.672 3.960 0.030 0.000 0.259 433 G HA3 -0.306 3.672 3.960 0.030 0.000 0.259 433 G C 0.654 175.612 174.900 0.097 0.000 1.263 433 G CA 0.582 45.729 45.100 0.078 0.000 0.928 433 G HN 1.131 nan 8.290 nan 0.000 0.572 434 H N 0.970 120.068 119.070 0.048 0.000 2.457 434 H HA 0.058 4.632 4.556 0.030 0.000 0.294 434 H C 1.898 177.223 175.328 -0.005 0.000 1.064 434 H CA 1.554 57.678 56.048 0.126 0.000 1.330 434 H CB -0.069 29.825 29.762 0.221 0.000 1.395 434 H HN 0.395 nan 8.280 nan 0.000 0.541 435 R N 2.263 122.340 120.500 -0.704 0.000 2.480 435 R HA 0.123 4.481 4.340 0.030 0.000 0.277 435 R C 0.538 176.700 176.300 -0.231 0.000 1.008 435 R CA 0.302 56.044 56.100 -0.596 0.000 1.090 435 R CB -0.267 29.549 30.300 -0.807 0.000 1.234 435 R HN 0.453 nan 8.270 nan 0.000 0.549 436 S N -0.464 115.180 115.700 -0.093 0.000 2.589 436 S HA -0.010 4.478 4.470 0.030 0.000 0.265 436 S C 0.743 175.352 174.600 0.016 0.000 1.342 436 S CA -0.727 57.468 58.200 -0.008 0.000 1.005 436 S CB 1.045 64.267 63.200 0.037 0.000 0.909 436 S HN 0.341 nan 8.310 nan 0.000 0.555 437 C N 3.350 122.681 119.300 0.051 0.000 2.601 437 C HA 0.082 4.560 4.460 0.030 0.000 0.405 437 C C 1.854 176.814 174.990 -0.051 0.000 1.441 437 C CA -0.390 58.651 59.018 0.038 0.000 1.555 437 C CB -2.163 25.705 27.740 0.212 0.000 2.450 437 C HN 0.947 nan 8.230 nan 0.000 0.614 438 I N 4.509 124.999 120.570 -0.133 0.000 2.614 438 I HA -0.002 4.186 4.170 0.030 0.000 0.258 438 I C 1.979 177.767 176.117 -0.549 0.000 1.189 438 I CA 1.720 62.819 61.300 -0.335 0.000 1.462 438 I CB -0.080 37.684 38.000 -0.392 0.000 1.092 438 I HN 0.926 nan 8.210 nan 0.000 0.442 439 G N -0.325 108.302 108.800 -0.289 0.000 3.189 439 G HA2 -0.083 3.895 3.960 0.030 0.000 0.225 439 G HA3 -0.083 3.895 3.960 0.030 0.000 0.225 439 G C 1.224 176.173 174.900 0.081 0.000 1.159 439 G CA -0.135 44.916 45.100 -0.081 0.000 0.763 439 G HN 0.404 nan 8.290 nan 0.000 0.549 440 Q N 0.045 119.796 119.800 -0.082 0.000 2.014 440 Q HA -0.269 4.089 4.340 0.030 0.000 0.207 440 Q C 2.446 178.327 176.000 -0.199 0.000 0.993 440 Q CA 2.092 57.650 55.803 -0.410 0.000 0.850 440 Q CB 0.001 28.330 28.738 -0.682 0.000 0.916 440 Q HN 0.397 nan 8.270 nan 0.000 0.417 441 Q N -0.228 119.564 119.800 -0.014 0.000 2.124 441 Q HA -0.116 4.242 4.340 0.030 0.000 0.202 441 Q C 1.650 177.812 176.000 0.270 0.000 0.977 441 Q CA 1.618 57.487 55.803 0.110 0.000 0.850 441 Q CB -0.466 28.370 28.738 0.164 0.000 0.901 441 Q HN 0.500 nan 8.270 nan 0.000 0.429 442 F N 0.552 120.642 119.950 0.234 0.000 2.069 442 F HA -0.294 4.250 4.527 0.028 0.000 0.298 442 F C 2.004 177.895 175.800 0.152 0.000 1.113 442 F CA 1.326 59.520 58.000 0.322 0.000 1.214 442 F CB -0.153 39.134 39.000 0.479 0.000 0.978 442 F HN 0.120 nan 8.300 nan 0.000 0.474 443 A N 0.041 123.158 122.820 0.494 0.000 1.858 443 A HA -0.238 4.100 4.320 0.030 0.000 0.216 443 A C 2.063 179.756 177.584 0.181 0.000 1.190 443 A CA 1.789 54.030 52.037 0.341 0.000 0.617 443 A CB -1.023 18.206 19.000 0.381 0.000 0.827 443 A HN 0.604 nan 8.150 nan 0.000 0.443 444 Q N -1.018 118.865 119.800 0.137 0.000 2.135 444 Q HA -0.196 4.162 4.340 0.030 0.000 0.204 444 Q C 2.220 178.238 176.000 0.030 0.000 0.981 444 Q CA 1.878 57.735 55.803 0.090 0.000 0.856 444 Q CB -0.307 28.438 28.738 0.011 0.000 0.902 444 Q HN 0.732 nan 8.270 nan 0.000 0.425 445 M N 0.343 119.958 119.600 0.024 0.000 2.077 445 M HA -0.195 4.303 4.480 0.030 0.000 0.261 445 M C 2.267 178.436 176.300 -0.217 0.000 1.070 445 M CA 1.786 57.088 55.300 0.003 0.000 1.125 445 M CB -0.361 32.371 32.600 0.221 0.000 1.339 445 M HN 0.237 nan 8.290 nan 0.000 0.409 446 E N 0.699 120.515 120.200 -0.640 0.000 2.110 446 E HA -0.176 4.192 4.350 0.030 0.000 0.193 446 E C 1.843 178.220 176.600 -0.372 0.000 0.988 446 E CA 1.882 57.683 56.400 -0.998 0.000 0.804 446 E CB -0.621 28.278 29.700 -1.336 0.000 0.745 446 E HN 0.481 nan 8.360 nan 0.000 0.458 447 V N -0.176 119.633 119.914 -0.176 0.000 2.379 447 V HA -0.130 4.008 4.120 0.030 0.000 0.245 447 V C 2.242 178.286 176.094 -0.084 0.000 1.044 447 V CA 1.744 63.990 62.300 -0.091 0.000 1.036 447 V CB -0.558 31.257 31.823 -0.014 0.000 0.664 447 V HN 0.083 nan 8.190 nan 0.000 0.453 448 K N 0.201 120.565 120.400 -0.061 0.000 2.074 448 K HA -0.125 4.213 4.320 0.030 0.000 0.209 448 K C 2.148 178.716 176.600 -0.053 0.000 1.048 448 K CA 2.095 58.353 56.287 -0.048 0.000 0.926 448 K CB -0.508 31.968 32.500 -0.040 0.000 0.713 448 K HN 0.520 nan 8.250 nan 0.000 0.444 449 V N 0.654 120.526 119.914 -0.071 0.000 2.261 449 V HA -0.250 3.888 4.120 0.030 0.000 0.246 449 V C 2.258 178.327 176.094 -0.042 0.000 1.047 449 V CA 1.665 63.934 62.300 -0.051 0.000 1.015 449 V CB -0.433 31.375 31.823 -0.025 0.000 0.642 449 V HN 0.097 nan 8.190 nan 0.000 0.446 450 V N -0.424 119.453 119.914 -0.062 0.000 2.282 450 V HA -0.342 3.796 4.120 0.030 0.000 0.249 450 V C 2.524 178.604 176.094 -0.023 0.000 1.057 450 V CA 2.241 64.518 62.300 -0.038 0.000 1.032 450 V CB -0.678 31.112 31.823 -0.054 0.000 0.645 450 V HN 0.415 nan 8.190 nan 0.000 0.447 451 M N -0.356 119.220 119.600 -0.040 0.000 2.132 451 M HA -0.074 4.424 4.480 0.030 0.000 0.263 451 M C 2.475 178.783 176.300 0.012 0.000 1.065 451 M CA 2.072 57.357 55.300 -0.025 0.000 1.122 451 M CB -1.536 31.036 32.600 -0.048 0.000 1.365 451 M HN 0.417 nan 8.290 nan 0.000 0.411 452 A N 0.782 123.605 122.820 0.005 0.000 1.892 452 A HA -0.217 4.120 4.320 0.030 0.000 0.218 452 A C 2.305 179.908 177.584 0.033 0.000 1.188 452 A CA 1.928 53.976 52.037 0.019 0.000 0.631 452 A CB -0.613 18.388 19.000 0.001 0.000 0.822 452 A HN 0.490 nan 8.150 nan 0.000 0.447 453 K N -0.578 119.839 120.400 0.028 0.000 2.057 453 K HA 0.012 4.350 4.320 0.030 0.000 0.206 453 K C 1.955 178.596 176.600 0.067 0.000 1.050 453 K CA 1.196 57.507 56.287 0.040 0.000 0.935 453 K CB -0.381 32.138 32.500 0.031 0.000 0.715 453 K HN 0.486 nan 8.250 nan 0.000 0.439 454 L N 0.925 122.203 121.223 0.092 0.000 2.017 454 L HA -0.204 4.154 4.340 0.030 0.000 0.208 454 L C 2.401 179.371 176.870 0.167 0.000 1.073 454 L CA 1.181 56.123 54.840 0.170 0.000 0.745 454 L CB -0.492 41.702 42.059 0.224 0.000 0.894 454 L HN 0.164 nan 8.230 nan 0.000 0.432 455 L N -0.794 120.505 121.223 0.127 0.000 2.191 455 L HA -0.229 4.129 4.340 0.030 0.000 0.212 455 L C 2.689 179.610 176.870 0.086 0.000 1.103 455 L CA 1.083 55.991 54.840 0.114 0.000 0.769 455 L CB -0.362 41.753 42.059 0.094 0.000 0.908 455 L HN 0.341 nan 8.230 nan 0.000 0.438 456 Q N -0.598 119.243 119.800 0.069 0.000 2.079 456 Q HA -0.132 4.226 4.340 0.030 0.000 0.200 456 Q C 2.028 178.056 176.000 0.046 0.000 0.974 456 Q CA 1.238 57.073 55.803 0.053 0.000 0.840 456 Q CB 0.163 28.928 28.738 0.046 0.000 0.898 456 Q HN 0.448 nan 8.270 nan 0.000 0.430 457 R N -1.289 119.237 120.500 0.043 0.000 2.316 457 R HA 0.289 4.646 4.340 0.030 0.000 0.201 457 R C 0.229 176.520 176.300 -0.014 0.000 0.888 457 R CA 0.232 56.344 56.100 0.021 0.000 1.041 457 R CB 0.826 31.139 30.300 0.022 0.000 1.115 457 R HN 0.109 nan 8.270 nan 0.000 0.559 458 L N 0.780 121.983 121.223 -0.033 0.000 2.350 458 L HA 0.443 4.801 4.340 0.030 0.000 0.260 458 L C -0.638 176.119 176.870 -0.189 0.000 1.015 458 L CA -0.765 53.963 54.840 -0.186 0.000 0.821 458 L CB 2.655 44.480 42.059 -0.391 0.000 1.370 458 L HN -0.151 nan 8.230 nan 0.000 0.416 459 E N 0.887 120.899 120.200 -0.314 0.000 2.266 459 E HA 0.577 4.944 4.350 0.030 0.000 0.268 459 E C -1.725 174.643 176.600 -0.388 0.000 0.879 459 E CA -0.596 55.703 56.400 -0.169 0.000 0.762 459 E CB 2.554 32.235 29.700 -0.031 0.000 1.199 459 E HN 0.191 nan 8.360 nan 0.000 0.422 460 F N 0.966 120.909 119.950 -0.011 0.000 2.522 460 F HA 0.537 5.079 4.527 0.024 0.000 0.324 460 F C 0.212 175.997 175.800 -0.025 0.000 1.077 460 F CA -0.837 57.146 58.000 -0.028 0.000 0.944 460 F CB 1.592 40.572 39.000 -0.033 0.000 1.175 460 F HN 0.097 nan 8.300 nan 0.000 0.468 461 R N 2.079 122.658 120.500 0.132 0.000 2.502 461 R HA 0.449 4.807 4.340 0.030 0.000 0.300 461 R C -1.538 174.794 176.300 0.053 0.000 0.984 461 R CA -1.130 55.014 56.100 0.074 0.000 0.882 461 R CB 2.132 32.444 30.300 0.020 0.000 1.180 461 R HN 0.495 nan 8.270 nan 0.000 0.444 462 L N 3.865 125.110 121.223 0.036 0.000 2.477 462 L HA 0.063 4.421 4.340 0.030 0.000 0.272 462 L C -0.168 176.687 176.870 -0.025 0.000 1.157 462 L CA 0.296 55.122 54.840 -0.024 0.000 0.889 462 L CB 0.875 42.889 42.059 -0.074 0.000 1.158 462 L HN 0.354 nan 8.230 nan 0.000 0.473 463 V N 8.615 128.505 119.914 -0.040 0.000 2.557 463 V HA 0.016 4.153 4.120 0.030 0.000 0.301 463 V C -1.708 174.365 176.094 -0.035 0.000 1.026 463 V CA -0.951 61.328 62.300 -0.035 0.000 1.137 463 V CB -0.042 31.756 31.823 -0.041 0.000 0.917 463 V HN 0.778 nan 8.190 nan 0.000 0.484 464 P HA 0.172 nan 4.420 nan 0.000 0.263 464 P C 0.974 178.264 177.300 -0.015 0.000 1.175 464 P CA 1.502 64.600 63.100 -0.004 0.000 0.761 464 P CB 0.419 32.120 31.700 0.002 0.000 0.794 465 G N 1.224 110.018 108.800 -0.009 0.000 2.258 465 G HA2 -0.202 3.776 3.960 0.030 0.000 0.233 465 G HA3 -0.202 3.776 3.960 0.030 0.000 0.233 465 G C 0.069 174.943 174.900 -0.044 0.000 1.006 465 G CA -0.470 44.620 45.100 -0.016 0.000 0.620 465 G HN 0.534 nan 8.290 nan 0.000 0.511 466 Q N 1.645 121.395 119.800 -0.083 0.000 2.271 466 Q HA 0.352 4.709 4.340 0.030 0.000 0.273 466 Q C 0.941 176.810 176.000 -0.219 0.000 1.051 466 Q CA 0.491 56.197 55.803 -0.162 0.000 0.901 466 Q CB 0.554 29.163 28.738 -0.215 0.000 1.174 466 Q HN 0.612 nan 8.270 nan 0.000 0.385 467 R N 1.226 121.617 120.500 -0.181 0.000 2.543 467 R HA 0.285 4.643 4.340 0.030 0.000 0.268 467 R C 0.429 176.577 176.300 -0.254 0.000 1.067 467 R CA -0.269 55.766 56.100 -0.108 0.000 1.142 467 R CB 0.535 30.827 30.300 -0.014 0.000 1.110 467 R HN 0.491 nan 8.270 nan 0.000 0.549 468 F N -0.539 119.409 119.950 -0.003 0.000 2.678 468 F HA 0.245 4.791 4.527 0.031 0.000 0.305 468 F C 1.458 177.284 175.800 0.044 0.000 1.090 468 F CA -0.250 57.751 58.000 0.001 0.000 1.272 468 F CB 0.569 39.575 39.000 0.009 0.000 1.060 468 F HN 0.642 nan 8.300 nan 0.000 0.576 469 G N 0.422 109.331 108.800 0.182 0.000 2.653 469 G HA2 0.434 4.411 3.960 0.030 0.000 0.265 469 G HA3 0.434 4.411 3.960 0.030 0.000 0.265 469 G C -0.772 174.230 174.900 0.170 0.000 1.237 469 G CA -0.203 44.997 45.100 0.166 0.000 0.946 469 G HN -0.067 nan 8.290 nan 0.000 0.522 470 L N -1.000 120.327 121.223 0.173 0.000 2.286 470 L HA 0.547 4.905 4.340 0.030 0.000 0.265 470 L C 0.272 177.201 176.870 0.097 0.000 1.012 470 L CA -0.659 54.305 54.840 0.207 0.000 0.818 470 L CB 2.149 44.369 42.059 0.269 0.000 1.337 470 L HN 0.804 nan 8.230 nan 0.000 0.438 471 Q N -0.662 119.191 119.800 0.089 0.000 2.451 471 Q HA 0.648 5.005 4.340 0.030 0.000 0.281 471 Q C -1.292 174.736 176.000 0.047 0.000 1.099 471 Q CA -0.885 54.938 55.803 0.034 0.000 0.806 471 Q CB 2.502 31.246 28.738 0.009 0.000 1.419 471 Q HN 0.490 nan 8.270 nan 0.000 0.427 472 E N 1.394 121.606 120.200 0.020 0.000 2.145 472 E HA 0.144 4.511 4.350 0.030 0.000 0.262 472 E C -0.528 176.101 176.600 0.048 0.000 0.883 472 E CA -0.268 56.163 56.400 0.051 0.000 0.748 472 E CB 0.929 30.652 29.700 0.038 0.000 1.140 472 E HN 0.573 nan 8.360 nan 0.000 0.417 473 Q N 2.205 122.033 119.800 0.047 0.000 3.072 473 Q HA 0.258 4.615 4.340 0.030 0.000 0.231 473 Q C 1.412 177.427 176.000 0.026 0.000 1.167 473 Q CA 0.490 56.309 55.803 0.026 0.000 0.318 473 Q CB -0.722 28.023 28.738 0.011 0.000 5.789 473 Q HN 0.590 nan 8.270 nan 0.000 0.322 474 A N 0.585 123.407 122.820 0.004 0.000 2.066 474 A HA 0.010 4.348 4.320 0.030 0.000 0.218 474 A C 1.079 178.666 177.584 0.006 0.000 1.157 474 A CA 1.616 53.640 52.037 -0.022 0.000 0.670 474 A CB -0.334 18.653 19.000 -0.022 0.000 0.804 474 A HN 0.633 nan 8.150 nan 0.000 0.453 475 T N -3.747 110.827 114.554 0.035 0.000 2.804 475 T HA 0.647 5.014 4.350 0.030 0.000 0.290 475 T C -0.418 174.362 174.700 0.133 0.000 1.099 475 T CA -0.901 61.238 62.100 0.065 0.000 1.011 475 T CB 0.744 69.620 68.868 0.013 0.000 1.291 475 T HN 0.101 nan 8.240 nan 0.000 0.523 476 L N 1.650 122.997 121.223 0.207 0.000 2.371 476 L HA 0.636 4.994 4.340 0.030 0.000 0.272 476 L C 0.364 177.429 176.870 0.325 0.000 1.124 476 L CA -0.627 54.380 54.840 0.279 0.000 0.816 476 L CB 0.465 42.718 42.059 0.323 0.000 1.129 476 L HN 0.846 nan 8.230 nan 0.000 0.448 477 K N 1.758 122.288 120.400 0.217 0.000 2.579 477 K HA 0.568 4.906 4.320 0.030 0.000 0.284 477 K C -3.141 173.274 176.600 -0.307 0.000 0.990 477 K CA -2.017 54.077 56.287 -0.320 0.000 0.880 477 K CB 1.565 33.910 32.500 -0.259 0.000 1.488 477 K HN 0.058 nan 8.250 nan 0.000 0.425 478 P HA -0.070 nan 4.420 nan 0.000 0.267 478 P C 0.535 177.755 177.300 -0.133 0.000 1.200 478 P CA -0.405 62.528 63.100 -0.279 0.000 0.772 478 P CB 0.399 31.866 31.700 -0.389 0.000 0.855 479 L N 2.663 123.858 121.223 -0.047 0.000 2.027 479 L HA 0.021 4.379 4.340 0.030 0.000 0.206 479 L C 0.430 177.255 176.870 -0.075 0.000 1.074 479 L CA 2.020 56.837 54.840 -0.039 0.000 0.745 479 L CB -0.725 41.331 42.059 -0.005 0.000 0.898 479 L HN 0.235 nan 8.230 nan 0.000 0.433 480 D N -0.125 120.213 120.400 -0.104 0.000 2.312 480 D HA 0.267 4.925 4.640 0.030 0.000 0.248 480 D C -1.872 174.335 176.300 -0.156 0.000 1.086 480 D CA -1.881 52.046 54.000 -0.123 0.000 0.948 480 D CB 0.824 41.540 40.800 -0.140 0.000 1.162 480 D HN 0.112 nan 8.370 nan 0.000 0.446 481 P HA 0.027 nan 4.420 nan 0.000 0.255 481 P C -0.236 176.962 177.300 -0.170 0.000 1.357 481 P CA 0.043 63.054 63.100 -0.149 0.000 0.839 481 P CB 0.196 31.831 31.700 -0.109 0.000 1.356 482 V N -1.732 118.064 119.914 -0.198 0.000 5.961 482 V HA -0.244 3.894 4.120 0.030 0.000 0.311 482 V C 0.637 176.641 176.094 -0.151 0.000 0.552 482 V CA 0.329 62.500 62.300 -0.214 0.000 0.641 482 V CB -2.671 29.004 31.823 -0.248 0.000 0.286 482 V HN 0.274 nan 8.190 nan 0.000 0.939 483 L N 0.826 121.974 121.223 -0.125 0.000 2.477 483 L HA 0.227 4.584 4.340 0.030 0.000 0.272 483 L C 0.459 177.295 176.870 -0.056 0.000 1.157 483 L CA 0.526 55.319 54.840 -0.077 0.000 0.889 483 L CB 0.538 42.555 42.059 -0.069 0.000 1.158 483 L HN 0.611 nan 8.230 nan 0.000 0.473 484 C N 1.536 120.832 119.300 -0.007 0.000 2.779 484 C HA 0.682 5.160 4.460 0.030 0.000 0.314 484 C C 0.525 175.532 174.990 0.028 0.000 1.231 484 C CA -0.704 58.339 59.018 0.042 0.000 1.652 484 C CB 2.048 29.891 27.740 0.172 0.000 2.198 484 C HN 0.813 nan 8.230 nan 0.000 0.483 485 T N 0.193 114.749 114.554 0.005 0.000 2.925 485 T HA 0.847 5.215 4.350 0.030 0.000 0.285 485 T C -1.007 173.638 174.700 -0.091 0.000 1.021 485 T CA -0.484 61.587 62.100 -0.049 0.000 1.042 485 T CB 0.905 69.728 68.868 -0.075 0.000 1.037 485 T HN 0.350 nan 8.240 nan 0.000 0.481 486 L N 1.556 122.679 121.223 -0.167 0.000 2.354 486 L HA 0.738 5.096 4.340 0.030 0.000 0.264 486 L C 0.276 176.974 176.870 -0.287 0.000 1.008 486 L CA -0.762 53.906 54.840 -0.287 0.000 0.819 486 L CB 2.251 44.126 42.059 -0.306 0.000 1.339 486 L HN 0.736 nan 8.230 nan 0.000 0.420 487 R N 1.173 121.492 120.500 -0.301 0.000 2.740 487 R HA 0.554 4.912 4.340 0.030 0.000 0.273 487 R C -2.774 173.439 176.300 -0.145 0.000 0.998 487 R CA -1.973 53.980 56.100 -0.244 0.000 0.900 487 R CB 1.639 31.758 30.300 -0.302 0.000 1.223 487 R HN 0.254 nan 8.270 nan 0.000 0.466 488 P HA 0.033 nan 4.420 nan 0.000 0.269 488 P C -0.652 176.674 177.300 0.045 0.000 1.209 488 P CA -0.297 62.807 63.100 0.007 0.000 0.776 488 P CB 0.543 32.285 31.700 0.071 0.000 0.876 489 R N 1.986 122.501 120.500 0.024 0.000 2.404 489 R HA 0.276 4.634 4.340 0.030 0.000 0.315 489 R C 1.152 177.494 176.300 0.070 0.000 1.032 489 R CA 1.274 57.400 56.100 0.044 0.000 0.992 489 R CB -1.080 29.242 30.300 0.036 0.000 0.959 489 R HN 0.855 nan 8.270 nan 0.000 0.428 490 G N 4.641 113.499 108.800 0.096 0.000 2.349 490 G HA2 -0.279 3.699 3.960 0.030 0.000 0.213 490 G HA3 -0.279 3.699 3.960 0.030 0.000 0.213 490 G C 0.220 175.192 174.900 0.120 0.000 1.044 490 G CA -0.098 45.050 45.100 0.081 0.000 0.633 490 G HN 0.943 nan 8.290 nan 0.000 0.506 491 W N 0.000 121.288 121.300 -0.020 0.000 2.388 491 W HA 0.000 4.677 4.660 0.029 0.000 0.303 491 W CA 0.000 57.332 57.345 -0.021 0.000 1.226 491 W CB 0.000 29.444 29.460 -0.027 0.000 1.126 491 W HN 0.000 nan 8.180 nan 0.000 0.535