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 2d66_1_A DATA FIRST_RESID 5 DATA SEQUENCE MFENITTAPA DPILGLADLL RADERPGKID LGMGVYNDET GKTPVLTSVK DATA SEQUENCE KAEQYLLENE XTTKNYLGID GIPEFGRCTQ ELLFGKGSAL INDKRARTAQ DATA SEQUENCE TPGGTGALRV AADFLAKNTS VKXXRXXXVW VSNPGWPTHK SVFNSAGLXE DATA SEQUENCE VREYAYYDAE NHTLDFDALI NSLNEAQAGD VVLFHGCCHN PTGIDPTLEQ DATA SEQUENCE WQTLAQLSVE KGWLPLFDFA YQGFARGXLE EDAEGLRAFA AMHKELIVAS DATA SEQUENCE SYSKNFGLYN ERVGACTLVA ADSETVDRAF SQMKAAIRVN YSSPPAHGAS DATA SEQUENCE VVATILSNDA LRAIWEQELT DMRQRIQRMR QLFVNTLQEK GANRDFSFII DATA SEQUENCE KQNGMFSFSG LTKEQVLRLR EEFGVYAVAS GRVNVAGMTP DNMAPLCEAI DATA SEQUENCE VAXVL 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 5 M HA 0.000 nan 4.480 nan 0.000 0.227 5 M C 0.000 176.264 176.300 -0.061 0.000 1.140 5 M CA 0.000 55.145 55.300 -0.259 0.000 0.988 5 M CB 0.000 32.330 32.600 -0.450 0.000 1.302 6 F N 1.301 121.249 119.950 -0.003 0.000 2.695 6 F HA 0.308 4.847 4.527 0.020 0.000 0.303 6 F C 1.697 177.495 175.800 -0.004 0.000 1.091 6 F CA 0.089 58.087 58.000 -0.003 0.000 1.300 6 F CB -0.605 38.393 39.000 -0.003 0.000 1.071 6 F HN 0.109 nan 8.300 nan 0.000 0.578 7 E N 0.621 120.900 120.200 0.132 0.000 2.097 7 E HA -0.191 4.171 4.350 0.019 0.000 0.196 7 E C 1.172 177.813 176.600 0.069 0.000 1.000 7 E CA 1.437 57.884 56.400 0.078 0.000 0.804 7 E CB -0.313 29.408 29.700 0.034 0.000 0.740 7 E HN 0.247 nan 8.360 nan 0.000 0.454 8 N N 0.341 119.082 118.700 0.068 0.000 2.251 8 N HA 0.131 4.883 4.740 0.019 0.000 0.217 8 N C -0.301 175.237 175.510 0.047 0.000 1.124 8 N CA 0.045 53.123 53.050 0.048 0.000 0.843 8 N CB 0.561 39.069 38.487 0.034 0.000 1.024 8 N HN 0.174 nan 8.380 nan 0.000 0.501 9 I N 0.855 121.462 120.570 0.062 0.000 2.588 9 I HA -0.033 4.149 4.170 0.019 0.000 0.283 9 I C 1.128 177.253 176.117 0.013 0.000 1.119 9 I CA 0.342 61.662 61.300 0.034 0.000 1.419 9 I CB 0.860 38.869 38.000 0.016 0.000 1.394 9 I HN -0.132 nan 8.210 nan 0.000 0.562 10 T N 4.415 118.970 114.554 0.001 0.000 2.909 10 T HA 0.207 4.568 4.350 0.019 0.000 0.286 10 T C 0.125 174.816 174.700 -0.015 0.000 1.002 10 T CA -0.457 61.640 62.100 -0.005 0.000 1.074 10 T CB 0.649 69.514 68.868 -0.005 0.000 0.984 10 T HN 0.628 nan 8.240 nan 0.000 0.495 11 T N 3.877 118.422 114.554 -0.014 0.000 2.928 11 T HA 0.432 4.793 4.350 0.019 0.000 0.305 11 T C 0.400 175.086 174.700 -0.023 0.000 1.035 11 T CA -0.288 61.800 62.100 -0.020 0.000 1.145 11 T CB 0.324 69.183 68.868 -0.015 0.000 0.963 11 T HN 0.841 nan 8.240 nan 0.000 0.545 12 A N 5.002 127.804 122.820 -0.030 0.000 2.407 12 A HA 0.526 4.858 4.320 0.019 0.000 0.248 12 A C -1.887 175.679 177.584 -0.030 0.000 1.082 12 A CA -1.303 50.715 52.037 -0.033 0.000 0.785 12 A CB -0.466 18.510 19.000 -0.040 0.000 1.020 12 A HN 0.596 nan 8.150 nan 0.000 0.489 13 P HA 0.406 nan 4.420 nan 0.000 0.271 13 P C -0.144 177.137 177.300 -0.033 0.000 1.216 13 P CA -0.009 63.074 63.100 -0.029 0.000 0.776 13 P CB 0.821 32.502 31.700 -0.031 0.000 0.881 14 A N 2.022 124.826 122.820 -0.026 0.000 2.445 14 A HA 0.098 4.429 4.320 0.019 0.000 0.242 14 A C 0.393 177.955 177.584 -0.037 0.000 1.075 14 A CA -0.186 51.835 52.037 -0.026 0.000 0.777 14 A CB -0.088 18.904 19.000 -0.013 0.000 1.013 14 A HN 0.605 nan 8.150 nan 0.000 0.493 15 D N 2.653 123.027 120.400 -0.044 0.000 2.348 15 D HA 0.149 4.801 4.640 0.019 0.000 0.253 15 D C -1.262 175.009 176.300 -0.050 0.000 1.161 15 D CA -1.395 52.567 54.000 -0.064 0.000 0.876 15 D CB 1.176 41.931 40.800 -0.075 0.000 1.160 15 D HN 0.276 nan 8.370 nan 0.000 0.459 16 P HA -0.123 nan 4.420 nan 0.000 0.218 16 P C 1.430 178.717 177.300 -0.022 0.000 1.146 16 P CA 1.016 64.093 63.100 -0.039 0.000 0.813 16 P CB 0.622 32.290 31.700 -0.054 0.000 0.778 17 I N -1.638 118.908 120.570 -0.040 0.000 3.132 17 I HA -0.012 4.170 4.170 0.019 0.000 0.255 17 I C 2.546 178.670 176.117 0.011 0.000 1.118 17 I CA 0.186 61.484 61.300 -0.003 0.000 1.463 17 I CB -0.391 37.609 38.000 0.001 0.000 1.356 17 I HN -0.245 nan 8.210 nan 0.000 0.463 18 L N 0.953 122.169 121.223 -0.012 0.000 2.131 18 L HA -0.102 4.249 4.340 0.019 0.000 0.210 18 L C 2.535 179.402 176.870 -0.005 0.000 1.092 18 L CA 1.513 56.351 54.840 -0.005 0.000 0.759 18 L CB -1.025 41.021 42.059 -0.022 0.000 0.903 18 L HN 0.349 nan 8.230 nan 0.000 0.435 19 G N 0.042 108.837 108.800 -0.007 0.000 2.470 19 G HA2 -0.174 3.797 3.960 0.019 0.000 0.220 19 G HA3 -0.174 3.797 3.960 0.019 0.000 0.220 19 G C 1.632 176.546 174.900 0.023 0.000 1.121 19 G CA 0.244 45.345 45.100 0.002 0.000 0.766 19 G HN 0.246 nan 8.290 nan 0.000 0.553 20 L N 0.460 121.706 121.223 0.038 0.000 2.127 20 L HA -0.109 4.243 4.340 0.019 0.000 0.211 20 L C 3.358 180.229 176.870 0.002 0.000 1.089 20 L CA 0.893 55.775 54.840 0.070 0.000 0.757 20 L CB -0.361 41.755 42.059 0.095 0.000 0.899 20 L HN 0.319 nan 8.230 nan 0.000 0.434 21 A N -0.001 122.808 122.820 -0.019 0.000 1.902 21 A HA -0.235 4.097 4.320 0.019 0.000 0.217 21 A C 1.932 179.483 177.584 -0.055 0.000 1.181 21 A CA 1.965 53.971 52.037 -0.052 0.000 0.623 21 A CB -0.456 18.523 19.000 -0.035 0.000 0.818 21 A HN 0.387 nan 8.150 nan 0.000 0.443 22 D N -0.219 120.165 120.400 -0.025 0.000 2.144 22 D HA -0.101 4.550 4.640 0.019 0.000 0.200 22 D C 1.712 178.005 176.300 -0.011 0.000 0.978 22 D CA 1.064 55.054 54.000 -0.018 0.000 0.833 22 D CB -0.247 40.549 40.800 -0.006 0.000 0.961 22 D HN 0.322 nan 8.370 nan 0.000 0.470 23 L N 0.500 121.731 121.223 0.015 0.000 2.156 23 L HA -0.044 4.307 4.340 0.019 0.000 0.208 23 L C 2.493 179.349 176.870 -0.023 0.000 1.095 23 L CA 0.736 55.618 54.840 0.070 0.000 0.770 23 L CB -0.647 41.543 42.059 0.217 0.000 0.914 23 L HN 0.017 nan 8.230 nan 0.000 0.439 24 L N -0.376 120.720 121.223 -0.212 0.000 2.027 24 L HA -0.205 4.146 4.340 0.019 0.000 0.206 24 L C 2.816 179.570 176.870 -0.193 0.000 1.074 24 L CA 1.389 55.983 54.840 -0.410 0.000 0.745 24 L CB -0.401 41.392 42.059 -0.443 0.000 0.898 24 L HN 0.349 nan 8.230 nan 0.000 0.433 25 R N 0.230 120.660 120.500 -0.118 0.000 2.115 25 R HA -0.063 4.289 4.340 0.019 0.000 0.230 25 R C 2.122 178.397 176.300 -0.041 0.000 1.111 25 R CA 1.168 57.226 56.100 -0.071 0.000 0.976 25 R CB -0.667 29.601 30.300 -0.052 0.000 0.870 25 R HN 0.224 nan 8.270 nan 0.000 0.445 26 A N 1.365 124.169 122.820 -0.027 0.000 2.014 26 A HA -0.097 4.235 4.320 0.019 0.000 0.218 26 A C 0.631 178.223 177.584 0.013 0.000 1.163 26 A CA 0.866 52.903 52.037 -0.001 0.000 0.652 26 A CB -0.309 18.700 19.000 0.015 0.000 0.808 26 A HN 0.366 nan 8.150 nan 0.000 0.449 27 D N 0.111 120.522 120.400 0.017 0.000 2.343 27 D HA 0.145 4.796 4.640 0.019 0.000 0.255 27 D C 1.173 177.484 176.300 0.018 0.000 1.187 27 D CA 0.186 54.215 54.000 0.049 0.000 0.875 27 D CB 0.818 41.691 40.800 0.120 0.000 1.136 27 D HN 0.615 nan 8.370 nan 0.000 0.469 28 E N 3.652 123.865 120.200 0.022 0.000 2.166 28 E HA -0.053 4.308 4.350 0.019 0.000 0.192 28 E C 0.367 176.975 176.600 0.015 0.000 0.967 28 E CA -0.282 56.125 56.400 0.010 0.000 0.840 28 E CB -0.111 29.594 29.700 0.008 0.000 0.795 28 E HN 0.447 nan 8.360 nan 0.000 0.470 29 R N 2.105 122.620 120.500 0.026 0.000 2.619 29 R HA 0.133 4.485 4.340 0.019 0.000 0.268 29 R C -2.375 173.942 176.300 0.029 0.000 0.990 29 R CA -1.039 55.077 56.100 0.027 0.000 1.092 29 R CB -0.688 29.632 30.300 0.033 0.000 0.935 29 R HN -0.056 nan 8.270 nan 0.000 0.415 30 P HA 0.187 nan 4.420 nan 0.000 0.278 30 P C 0.271 177.591 177.300 0.033 0.000 1.266 30 P CA 0.222 63.335 63.100 0.020 0.000 0.807 30 P CB 0.910 32.618 31.700 0.014 0.000 1.094 31 G N -1.072 107.746 108.800 0.029 0.000 2.179 31 G HA2 -0.263 3.708 3.960 0.019 0.000 0.260 31 G HA3 -0.263 3.708 3.960 0.019 0.000 0.260 31 G C 0.031 174.966 174.900 0.058 0.000 0.977 31 G CA -0.099 45.025 45.100 0.040 0.000 0.641 31 G HN 0.536 nan 8.290 nan 0.000 0.533 32 K N 0.028 120.464 120.400 0.061 0.000 2.527 32 K HA 0.370 4.702 4.320 0.019 0.000 0.278 32 K C 0.341 176.981 176.600 0.067 0.000 0.981 32 K CA 0.484 56.828 56.287 0.094 0.000 1.009 32 K CB 0.564 33.089 32.500 0.041 0.000 0.895 32 K HN 0.344 nan 8.250 nan 0.000 0.493 33 I N 2.278 122.919 120.570 0.119 0.000 2.410 33 I HA 0.051 4.233 4.170 0.019 0.000 0.286 33 I C -0.522 175.652 176.117 0.095 0.000 1.009 33 I CA -0.769 60.573 61.300 0.070 0.000 1.111 33 I CB 1.616 39.647 38.000 0.052 0.000 1.262 33 I HN 0.514 nan 8.210 nan 0.000 0.443 34 D N 7.857 128.268 120.400 0.019 0.000 2.411 34 D HA 0.287 4.938 4.640 0.019 0.000 0.225 34 D C 0.092 176.406 176.300 0.024 0.000 1.156 34 D CA 0.039 54.047 54.000 0.013 0.000 0.874 34 D CB 0.976 41.741 40.800 -0.058 0.000 1.034 34 D HN 0.467 nan 8.370 nan 0.000 0.502 35 L N 3.079 124.344 121.223 0.070 0.000 3.066 35 L HA 0.354 4.706 4.340 0.019 0.000 0.265 35 L C 1.643 178.581 176.870 0.113 0.000 1.232 35 L CA -0.478 54.395 54.840 0.055 0.000 1.031 35 L CB 1.015 43.086 42.059 0.021 0.000 1.379 35 L HN 0.387 nan 8.230 nan 0.000 0.563 36 G N 0.215 109.086 108.800 0.119 0.000 2.632 36 G HA2 0.021 3.992 3.960 0.019 0.000 0.220 36 G HA3 0.021 3.992 3.960 0.019 0.000 0.220 36 G C 0.501 175.505 174.900 0.172 0.000 1.439 36 G CA -0.283 44.899 45.100 0.136 0.000 0.934 36 G HN 0.126 nan 8.290 nan 0.000 0.536 37 M N 2.077 121.756 119.600 0.132 0.000 2.249 37 M HA 0.379 4.870 4.480 0.019 0.000 0.340 37 M C 0.902 177.339 176.300 0.227 0.000 1.166 37 M CA 0.110 55.508 55.300 0.165 0.000 1.115 37 M CB 0.842 33.489 32.600 0.079 0.000 1.606 37 M HN 0.168 nan 8.290 nan 0.000 0.448 38 G N 5.061 114.089 108.800 0.380 0.000 2.852 38 G HA2 0.437 4.408 3.960 0.019 0.000 0.280 38 G HA3 0.437 4.408 3.960 0.019 0.000 0.280 38 G C -0.857 174.113 174.900 0.116 0.000 0.731 38 G CA -0.438 44.855 45.100 0.320 0.000 2.037 38 G HN 0.557 nan 8.290 nan 0.000 0.560 39 V N 2.314 122.226 119.914 -0.003 0.000 2.656 39 V HA 0.303 4.435 4.120 0.019 0.000 0.307 39 V C -0.618 175.490 176.094 0.023 0.000 1.051 39 V CA -1.298 60.932 62.300 -0.116 0.000 0.893 39 V CB 1.786 33.404 31.823 -0.340 0.000 0.999 39 V HN 0.575 nan 8.190 nan 0.000 0.426 40 Y N 4.197 124.557 120.300 0.100 0.000 2.359 40 Y HA 0.425 4.986 4.550 0.018 0.000 0.330 40 Y C 0.117 176.063 175.900 0.076 0.000 1.143 40 Y CA 0.130 58.297 58.100 0.112 0.000 1.318 40 Y CB 0.782 39.385 38.460 0.237 0.000 1.234 40 Y HN 0.743 nan 8.280 nan 0.000 0.522 41 N N 3.676 121.913 118.700 -0.772 0.000 2.272 41 N HA 0.233 4.984 4.740 0.019 0.000 0.305 41 N C -1.412 173.589 175.510 -0.847 0.000 1.103 41 N CA -0.844 51.879 53.050 -0.545 0.000 0.791 41 N CB 1.235 39.536 38.487 -0.310 0.000 1.356 41 N HN 0.651 nan 8.380 nan 0.000 0.486 42 D N -0.778 119.409 120.400 -0.354 0.000 2.511 42 D HA 0.067 4.719 4.640 0.019 0.000 0.276 42 D C 1.039 177.265 176.300 -0.122 0.000 1.220 42 D CA -0.385 53.517 54.000 -0.164 0.000 1.077 42 D CB 0.344 41.180 40.800 0.060 0.000 1.126 42 D HN 0.542 nan 8.370 nan 0.000 0.583 43 E N -0.648 119.530 120.200 -0.037 0.000 2.267 43 E HA -0.229 4.132 4.350 0.019 0.000 0.197 43 E C 1.251 177.830 176.600 -0.035 0.000 0.998 43 E CA 1.801 58.182 56.400 -0.031 0.000 0.830 43 E CB -1.037 28.663 29.700 -0.001 0.000 0.751 43 E HN 0.622 nan 8.360 nan 0.000 0.491 44 T N -3.513 111.023 114.554 -0.030 0.000 3.107 44 T HA 0.395 4.756 4.350 0.019 0.000 0.249 44 T C 1.407 176.084 174.700 -0.038 0.000 1.096 44 T CA 0.442 62.528 62.100 -0.024 0.000 1.012 44 T CB 0.139 69.003 68.868 -0.007 0.000 0.977 44 T HN 0.375 nan 8.240 nan 0.000 0.527 45 G N 2.097 110.857 108.800 -0.066 0.000 2.137 45 G HA2 -0.245 3.727 3.960 0.019 0.000 0.237 45 G HA3 -0.245 3.727 3.960 0.019 0.000 0.237 45 G C -0.173 174.688 174.900 -0.065 0.000 1.002 45 G CA 0.352 45.406 45.100 -0.078 0.000 0.702 45 G HN 0.993 nan 8.290 nan 0.000 0.515 46 K N -1.048 119.322 120.400 -0.051 0.000 2.281 46 K HA 0.777 5.109 4.320 0.019 0.000 0.242 46 K C -0.684 175.915 176.600 -0.002 0.000 0.971 46 K CA -0.812 55.462 56.287 -0.020 0.000 0.834 46 K CB 1.721 34.225 32.500 0.006 0.000 1.181 46 K HN -0.022 nan 8.250 nan 0.000 0.435 47 T N 3.540 118.115 114.554 0.035 0.000 3.145 47 T HA 0.255 4.617 4.350 0.019 0.000 0.362 47 T C -2.122 172.673 174.700 0.159 0.000 1.340 47 T CA -1.127 61.041 62.100 0.113 0.000 1.069 47 T CB 0.358 69.274 68.868 0.080 0.000 1.129 47 T HN 0.537 nan 8.240 nan 0.000 0.585 48 P HA 0.325 nan 4.420 nan 0.000 0.274 48 P C -0.412 176.995 177.300 0.179 0.000 1.246 48 P CA -0.461 62.731 63.100 0.153 0.000 0.795 48 P CB 0.877 32.659 31.700 0.137 0.000 1.006 49 V N 2.494 122.494 119.914 0.143 0.000 2.530 49 V HA 0.049 4.181 4.120 0.019 0.000 0.282 49 V C 1.015 177.186 176.094 0.129 0.000 1.048 49 V CA -0.728 61.657 62.300 0.142 0.000 0.997 49 V CB 0.608 32.502 31.823 0.118 0.000 0.987 49 V HN 0.401 nan 8.190 nan 0.000 0.477 50 L N 4.187 125.491 121.223 0.135 0.000 2.483 50 L HA 0.087 4.438 4.340 0.019 0.000 0.275 50 L C 1.780 178.711 176.870 0.100 0.000 1.220 50 L CA 0.776 55.685 54.840 0.116 0.000 0.833 50 L CB 0.283 42.422 42.059 0.134 0.000 1.102 50 L HN 0.785 nan 8.230 nan 0.000 0.490 51 T N 0.693 115.295 114.554 0.080 0.000 2.746 51 T HA -0.140 4.222 4.350 0.019 0.000 0.267 51 T C 1.888 176.633 174.700 0.075 0.000 1.039 51 T CA 1.714 63.854 62.100 0.068 0.000 1.142 51 T CB 0.049 68.947 68.868 0.049 0.000 0.866 51 T HN 0.832 nan 8.240 nan 0.000 0.444 52 S N 1.349 117.105 115.700 0.094 0.000 2.383 52 S HA -0.101 4.381 4.470 0.019 0.000 0.229 52 S C 2.161 176.819 174.600 0.096 0.000 1.030 52 S CA 1.022 59.285 58.200 0.105 0.000 1.002 52 S CB -0.982 62.322 63.200 0.173 0.000 0.829 52 S HN 0.303 nan 8.310 nan 0.000 0.467 53 V N 2.299 122.281 119.914 0.115 0.000 2.358 53 V HA -0.124 4.008 4.120 0.019 0.000 0.246 53 V C 2.836 178.975 176.094 0.075 0.000 1.047 53 V CA 1.747 64.104 62.300 0.094 0.000 1.035 53 V CB -0.605 31.290 31.823 0.120 0.000 0.658 53 V HN 0.399 nan 8.190 nan 0.000 0.452 54 K N 0.425 120.875 120.400 0.082 0.000 2.063 54 K HA -0.170 4.162 4.320 0.019 0.000 0.208 54 K C 2.130 178.773 176.600 0.071 0.000 1.048 54 K CA 1.445 57.779 56.287 0.077 0.000 0.928 54 K CB -0.341 32.201 32.500 0.070 0.000 0.713 54 K HN 0.479 nan 8.250 nan 0.000 0.442 55 K N 0.283 120.722 120.400 0.065 0.000 2.097 55 K HA -0.051 4.280 4.320 0.019 0.000 0.205 55 K C 2.203 178.850 176.600 0.077 0.000 1.050 55 K CA 1.156 57.481 56.287 0.064 0.000 0.938 55 K CB -0.129 32.400 32.500 0.048 0.000 0.718 55 K HN 0.084 nan 8.250 nan 0.000 0.442 56 A N 1.785 124.638 122.820 0.055 0.000 1.898 56 A HA -0.192 4.140 4.320 0.019 0.000 0.216 56 A C 1.873 179.510 177.584 0.088 0.000 1.181 56 A CA 1.397 53.464 52.037 0.050 0.000 0.620 56 A CB -0.331 18.657 19.000 -0.021 0.000 0.819 56 A HN 0.280 nan 8.150 nan 0.000 0.442 57 E N -0.916 119.326 120.200 0.070 0.000 2.150 57 E HA -0.242 4.120 4.350 0.019 0.000 0.193 57 E C 2.186 178.849 176.600 0.106 0.000 0.985 57 E CA 1.257 57.719 56.400 0.103 0.000 0.814 57 E CB -0.091 29.695 29.700 0.144 0.000 0.752 57 E HN 0.710 nan 8.360 nan 0.000 0.466 58 Q N 0.433 120.293 119.800 0.099 0.000 2.050 58 Q HA -0.227 4.125 4.340 0.019 0.000 0.202 58 Q C 1.884 177.937 176.000 0.089 0.000 0.980 58 Q CA 1.567 57.420 55.803 0.083 0.000 0.840 58 Q CB -0.559 28.229 28.738 0.083 0.000 0.898 58 Q HN 0.388 nan 8.270 nan 0.000 0.424 59 Y N 0.284 120.586 120.300 0.004 0.000 2.128 59 Y HA -0.207 4.353 4.550 0.017 0.000 0.284 59 Y C 1.737 177.634 175.900 -0.005 0.000 1.154 59 Y CA 1.948 60.046 58.100 -0.004 0.000 1.149 59 Y CB -0.261 38.191 38.460 -0.014 0.000 0.976 59 Y HN 0.176 nan 8.280 nan 0.000 0.505 60 L N -0.736 120.498 121.223 0.017 0.000 2.083 60 L HA -0.215 4.137 4.340 0.019 0.000 0.209 60 L C 2.422 179.243 176.870 -0.082 0.000 1.083 60 L CA 1.152 55.959 54.840 -0.056 0.000 0.752 60 L CB -0.763 41.321 42.059 0.040 0.000 0.899 60 L HN 0.331 nan 8.230 nan 0.000 0.433 61 L N 0.071 121.275 121.223 -0.031 0.000 2.083 61 L HA -0.204 4.148 4.340 0.019 0.000 0.209 61 L C 2.262 179.086 176.870 -0.077 0.000 1.083 61 L CA 1.827 56.648 54.840 -0.033 0.000 0.752 61 L CB -0.393 41.663 42.059 -0.004 0.000 0.899 61 L HN 0.248 nan 8.230 nan 0.000 0.433 62 E N -1.348 118.779 120.200 -0.122 0.000 2.250 62 E HA -0.034 4.327 4.350 0.019 0.000 0.192 62 E C 1.300 177.781 176.600 -0.198 0.000 0.986 62 E CA 0.878 57.196 56.400 -0.138 0.000 0.849 62 E CB 0.010 29.639 29.700 -0.119 0.000 0.797 62 E HN 0.541 nan 8.360 nan 0.000 0.482 63 N N 0.226 118.732 118.700 -0.324 0.000 2.294 63 N HA 0.033 4.785 4.740 0.019 0.000 0.186 63 N C 0.258 175.647 175.510 -0.201 0.000 1.107 63 N CA 0.012 52.865 53.050 -0.328 0.000 0.884 63 N CB 0.632 38.743 38.487 -0.626 0.000 1.030 63 N HN 0.053 nan 8.380 nan 0.000 0.482 67 T N 0.278 114.808 114.554 -0.040 0.000 2.830 67 T HA 0.544 4.905 4.350 0.019 0.000 0.322 67 T C -1.365 173.305 174.700 -0.051 0.000 1.501 67 T CA -0.598 61.476 62.100 -0.044 0.000 1.036 67 T CB 1.759 70.605 68.868 -0.035 0.000 1.379 67 T HN -0.068 nan 8.240 nan 0.000 0.493 68 K N 2.138 122.494 120.400 -0.072 0.000 2.455 68 K HA 0.234 4.565 4.320 0.019 0.000 0.206 68 K C 0.397 176.913 176.600 -0.139 0.000 1.027 68 K CA -0.421 55.810 56.287 -0.092 0.000 1.113 68 K CB -0.117 32.320 32.500 -0.105 0.000 0.850 68 K HN 0.496 nan 8.250 nan 0.000 0.503 69 N N 1.230 119.866 118.700 -0.108 0.000 2.356 69 N HA -0.131 4.621 4.740 0.019 0.000 0.252 69 N C -0.494 174.976 175.510 -0.066 0.000 1.241 69 N CA 0.287 53.269 53.050 -0.112 0.000 0.861 69 N CB 0.148 38.619 38.487 -0.027 0.000 1.075 69 N HN -0.055 nan 8.380 nan 0.000 0.461 70 Y N 1.697 121.998 120.300 0.000 0.000 3.073 70 Y HA -0.127 4.437 4.550 0.023 0.000 0.343 70 Y C 0.938 176.840 175.900 0.004 0.000 1.274 70 Y CA 0.593 58.695 58.100 0.004 0.000 1.554 70 Y CB 0.085 38.548 38.460 0.006 0.000 1.250 70 Y HN 0.319 nan 8.280 nan 0.000 0.622 71 L N 2.152 123.487 121.223 0.187 0.000 2.416 71 L HA 0.510 4.862 4.340 0.019 0.000 0.262 71 L C 1.195 178.127 176.870 0.103 0.000 1.093 71 L CA -0.714 54.188 54.840 0.104 0.000 0.801 71 L CB 0.581 42.677 42.059 0.062 0.000 1.191 71 L HN 0.811 nan 8.230 nan 0.000 0.459 72 G N -0.007 108.836 108.800 0.072 0.000 2.667 72 G HA2 0.214 4.186 3.960 0.019 0.000 0.250 72 G HA3 0.214 4.186 3.960 0.019 0.000 0.250 72 G C 0.947 175.876 174.900 0.049 0.000 1.212 72 G CA -0.452 44.681 45.100 0.054 0.000 0.874 72 G HN 0.661 nan 8.290 nan 0.000 0.561 73 I N 0.298 120.877 120.570 0.015 0.000 2.264 73 I HA -0.177 4.004 4.170 0.019 0.000 0.248 73 I C 2.059 178.193 176.117 0.029 0.000 1.111 73 I CA 1.652 62.946 61.300 -0.011 0.000 1.382 73 I CB -0.100 37.853 38.000 -0.078 0.000 1.060 73 I HN 0.581 nan 8.210 nan 0.000 0.418 74 D N 0.358 120.800 120.400 0.069 0.000 2.340 74 D HA 0.163 4.815 4.640 0.019 0.000 0.220 74 D C 1.095 177.489 176.300 0.158 0.000 1.039 74 D CA 0.847 54.940 54.000 0.155 0.000 0.866 74 D CB -0.070 40.916 40.800 0.310 0.000 0.913 74 D HN 0.388 nan 8.370 nan 0.000 0.523 75 G N 0.844 109.705 108.800 0.102 0.000 2.545 75 G HA2 -0.205 3.767 3.960 0.019 0.000 0.216 75 G HA3 -0.205 3.767 3.960 0.019 0.000 0.216 75 G C -0.521 174.411 174.900 0.054 0.000 1.314 75 G CA -0.391 44.740 45.100 0.051 0.000 0.906 75 G HN 0.274 nan 8.290 nan 0.000 0.563 76 I N 3.359 123.935 120.570 0.011 0.000 2.517 76 I HA 0.164 4.346 4.170 0.019 0.000 0.285 76 I C -0.379 175.807 176.117 0.116 0.000 1.106 76 I CA -1.302 60.022 61.300 0.041 0.000 1.402 76 I CB 1.308 39.305 38.000 -0.004 0.000 1.399 76 I HN 0.428 nan 8.210 nan 0.000 0.535 77 P HA -0.180 nan 4.420 nan 0.000 0.215 77 P C 1.005 178.347 177.300 0.069 0.000 1.153 77 P CA 1.444 64.593 63.100 0.081 0.000 0.853 77 P CB 0.336 32.068 31.700 0.053 0.000 0.788 78 E N -0.488 119.745 120.200 0.056 0.000 2.085 78 E HA -0.162 4.200 4.350 0.019 0.000 0.194 78 E C 1.863 178.478 176.600 0.025 0.000 0.994 78 E CA 0.891 57.305 56.400 0.023 0.000 0.801 78 E CB -1.390 28.315 29.700 0.008 0.000 0.743 78 E HN 0.249 nan 8.360 nan 0.000 0.453 79 F N 0.871 120.766 119.950 -0.092 0.000 2.091 79 F HA -0.168 4.370 4.527 0.018 0.000 0.299 79 F C 2.139 177.894 175.800 -0.075 0.000 1.103 79 F CA 2.018 59.941 58.000 -0.127 0.000 1.228 79 F CB -0.648 38.278 39.000 -0.124 0.000 0.984 79 F HN 0.070 nan 8.300 nan 0.000 0.477 80 G N 0.080 108.932 108.800 0.087 0.000 2.421 80 G HA2 -0.237 3.734 3.960 0.019 0.000 0.216 80 G HA3 -0.237 3.734 3.960 0.019 0.000 0.216 80 G C 1.759 176.605 174.900 -0.091 0.000 1.171 80 G CA 0.818 45.914 45.100 -0.006 0.000 0.775 80 G HN 0.346 nan 8.290 nan 0.000 0.543 81 R N -0.425 120.039 120.500 -0.059 0.000 2.080 81 R HA -0.087 4.264 4.340 0.019 0.000 0.236 81 R C 2.681 178.920 176.300 -0.102 0.000 1.137 81 R CA 1.542 57.606 56.100 -0.060 0.000 0.943 81 R CB -0.991 29.285 30.300 -0.040 0.000 0.846 81 R HN 0.363 nan 8.270 nan 0.000 0.431 82 C N 0.084 119.294 119.300 -0.150 0.000 2.411 82 C HA -0.095 4.376 4.460 0.019 0.000 0.279 82 C C 2.707 177.561 174.990 -0.227 0.000 1.288 82 C CA 1.119 60.026 59.018 -0.185 0.000 1.764 82 C CB -0.890 26.712 27.740 -0.231 0.000 1.974 82 C HN 0.572 nan 8.230 nan 0.000 0.498 83 T N 0.127 114.490 114.554 -0.318 0.000 2.777 83 T HA -0.187 4.175 4.350 0.019 0.000 0.266 83 T C 1.833 176.379 174.700 -0.256 0.000 1.040 83 T CA 1.322 63.243 62.100 -0.299 0.000 1.141 83 T CB -0.249 68.381 68.868 -0.397 0.000 0.868 83 T HN 0.636 nan 8.240 nan 0.000 0.444 84 Q N 0.547 120.246 119.800 -0.169 0.000 2.084 84 Q HA -0.103 4.248 4.340 0.019 0.000 0.202 84 Q C 2.388 178.339 176.000 -0.081 0.000 0.978 84 Q CA 1.240 56.996 55.803 -0.078 0.000 0.844 84 Q CB -0.066 28.725 28.738 0.088 0.000 0.898 84 Q HN 0.608 nan 8.270 nan 0.000 0.426 85 E N 0.186 120.343 120.200 -0.072 0.000 2.110 85 E HA -0.196 4.166 4.350 0.019 0.000 0.193 85 E C 1.861 178.397 176.600 -0.106 0.000 0.988 85 E CA 0.675 57.045 56.400 -0.051 0.000 0.804 85 E CB -0.004 29.668 29.700 -0.046 0.000 0.745 85 E HN 0.151 nan 8.360 nan 0.000 0.458 86 L N 0.687 121.815 121.223 -0.158 0.000 2.141 86 L HA -0.130 4.222 4.340 0.019 0.000 0.209 86 L C 1.924 178.604 176.870 -0.316 0.000 1.094 86 L CA 1.419 56.154 54.840 -0.174 0.000 0.763 86 L CB -0.144 41.837 42.059 -0.129 0.000 0.908 86 L HN 0.121 nan 8.230 nan 0.000 0.437 87 L N -2.503 118.418 121.223 -0.503 0.000 2.102 87 L HA -0.088 4.263 4.340 0.019 0.000 0.202 87 L C 1.839 178.303 176.870 -0.677 0.000 1.076 87 L CA 0.857 55.219 54.840 -0.797 0.000 0.761 87 L CB -0.375 40.925 42.059 -1.266 0.000 0.921 87 L HN 0.143 nan 8.230 nan 0.000 0.444 88 F N -0.259 119.620 119.950 -0.118 0.000 2.746 88 F HA 0.430 4.969 4.527 0.020 0.000 0.297 88 F C 1.153 176.914 175.800 -0.065 0.000 1.113 88 F CA 0.024 57.972 58.000 -0.086 0.000 1.367 88 F CB -0.272 38.685 39.000 -0.071 0.000 1.111 88 F HN 0.057 nan 8.300 nan 0.000 0.590 89 G N 0.512 109.343 108.800 0.052 0.000 2.784 89 G HA2 -0.170 3.802 3.960 0.019 0.000 0.686 89 G HA3 -0.170 3.802 3.960 0.019 0.000 0.686 89 G C 0.225 175.145 174.900 0.035 0.000 1.156 89 G CA -0.558 44.559 45.100 0.030 0.000 0.757 89 G HN 0.015 nan 8.290 nan 0.000 0.642 90 K N 0.689 121.096 120.400 0.012 0.000 2.023 90 K HA -0.135 4.197 4.320 0.019 0.000 0.227 90 K C 2.386 178.994 176.600 0.013 0.000 1.054 90 K CA 3.061 59.352 56.287 0.008 0.000 0.977 90 K CB -0.670 31.831 32.500 0.001 0.000 0.733 90 K HN 1.375 nan 8.250 nan 0.000 0.451 91 G N -0.200 108.607 108.800 0.013 0.000 3.814 91 G HA2 0.139 4.110 3.960 0.019 0.000 0.293 91 G HA3 0.139 4.110 3.960 0.019 0.000 0.293 91 G C -0.374 174.533 174.900 0.011 0.000 1.243 91 G CA -0.075 45.031 45.100 0.009 0.000 1.053 91 G HN 0.294 nan 8.290 nan 0.000 0.562 92 S N -0.224 115.492 115.700 0.026 0.000 2.566 92 S HA 0.337 4.818 4.470 0.019 0.000 0.280 92 S C 1.875 176.465 174.600 -0.017 0.000 1.343 92 S CA 0.308 58.520 58.200 0.020 0.000 1.036 92 S CB 0.989 64.230 63.200 0.069 0.000 0.866 92 S HN 0.565 nan 8.310 nan 0.000 0.526 93 A N 4.473 127.271 122.820 -0.037 0.000 1.968 93 A HA 0.087 4.419 4.320 0.019 0.000 0.217 93 A C 2.094 179.627 177.584 -0.085 0.000 1.169 93 A CA 0.894 52.901 52.037 -0.050 0.000 0.638 93 A CB -0.623 18.350 19.000 -0.045 0.000 0.812 93 A HN 0.860 nan 8.150 nan 0.000 0.446 94 L N -0.531 120.604 121.223 -0.148 0.000 2.083 94 L HA -0.181 4.170 4.340 0.019 0.000 0.209 94 L C 2.360 179.133 176.870 -0.162 0.000 1.083 94 L CA 1.193 55.894 54.840 -0.232 0.000 0.752 94 L CB -0.452 41.291 42.059 -0.526 0.000 0.899 94 L HN 0.405 nan 8.230 nan 0.000 0.433 95 I N -0.673 119.839 120.570 -0.097 0.000 2.333 95 I HA -0.206 3.976 4.170 0.019 0.000 0.246 95 I C 2.184 178.278 176.117 -0.039 0.000 1.106 95 I CA 0.713 61.988 61.300 -0.043 0.000 1.411 95 I CB -0.388 37.616 38.000 0.008 0.000 1.082 95 I HN 0.306 nan 8.210 nan 0.000 0.420 96 N N 1.131 119.809 118.700 -0.036 0.000 2.069 96 N HA -0.175 4.577 4.740 0.019 0.000 0.191 96 N C 1.071 176.561 175.510 -0.033 0.000 1.031 96 N CA 1.450 54.482 53.050 -0.029 0.000 0.852 96 N CB -0.383 38.090 38.487 -0.024 0.000 1.018 96 N HN 0.331 nan 8.380 nan 0.000 0.423 97 D N 0.984 121.358 120.400 -0.043 0.000 2.336 97 D HA 0.014 4.665 4.640 0.019 0.000 0.229 97 D C 0.029 176.302 176.300 -0.044 0.000 1.061 97 D CA 0.168 54.144 54.000 -0.040 0.000 0.875 97 D CB -0.013 40.761 40.800 -0.043 0.000 0.904 97 D HN 0.256 nan 8.370 nan 0.000 0.525 98 K N 0.055 120.424 120.400 -0.051 0.000 3.148 98 K HA -0.243 4.089 4.320 0.019 0.000 0.267 98 K C 0.676 177.236 176.600 -0.066 0.000 0.996 98 K CA 0.231 56.485 56.287 -0.055 0.000 0.737 98 K CB -1.141 31.336 32.500 -0.039 0.000 1.308 98 K HN 0.233 nan 8.250 nan 0.000 0.470 99 R N -0.279 120.169 120.500 -0.086 0.000 2.317 99 R HA 0.192 4.544 4.340 0.019 0.000 0.208 99 R C 0.516 176.752 176.300 -0.108 0.000 0.914 99 R CA 0.547 56.594 56.100 -0.087 0.000 1.060 99 R CB 0.698 30.942 30.300 -0.095 0.000 1.015 99 R HN 0.311 nan 8.270 nan 0.000 0.498 100 A N 1.002 123.747 122.820 -0.126 0.000 2.365 100 A HA 0.685 5.017 4.320 0.019 0.000 0.318 100 A C -0.738 176.738 177.584 -0.180 0.000 1.091 100 A CA -0.767 51.198 52.037 -0.120 0.000 0.763 100 A CB 1.273 20.227 19.000 -0.078 0.000 1.248 100 A HN -0.026 nan 8.150 nan 0.000 0.442 101 R N 0.910 121.241 120.500 -0.282 0.000 2.575 101 R HA 0.650 5.002 4.340 0.019 0.000 0.293 101 R C -1.306 174.692 176.300 -0.504 0.000 0.983 101 R CA -0.343 55.369 56.100 -0.646 0.000 0.887 101 R CB 1.753 31.250 30.300 -1.340 0.000 1.184 101 R HN 0.734 nan 8.270 nan 0.000 0.445 102 T N 1.344 115.699 114.554 -0.332 0.000 2.792 102 T HA 0.658 5.020 4.350 0.019 0.000 0.280 102 T C -0.598 174.250 174.700 0.246 0.000 0.990 102 T CA -0.585 61.519 62.100 0.007 0.000 0.960 102 T CB 1.820 70.710 68.868 0.037 0.000 0.939 102 T HN 0.571 nan 8.240 nan 0.000 0.439 103 A N 3.138 126.192 122.820 0.390 0.000 2.288 103 A HA 0.590 4.921 4.320 0.019 0.000 0.320 103 A C 0.065 177.831 177.584 0.304 0.000 1.217 103 A CA -0.731 51.540 52.037 0.390 0.000 0.840 103 A CB 0.799 19.986 19.000 0.312 0.000 1.179 103 A HN 0.786 nan 8.150 nan 0.000 0.504 104 Q N 1.656 121.615 119.800 0.266 0.000 2.332 104 Q HA 0.418 4.770 4.340 0.019 0.000 0.263 104 Q C -0.018 176.054 176.000 0.120 0.000 0.979 104 Q CA 0.376 56.284 55.803 0.174 0.000 0.885 104 Q CB 0.538 29.196 28.738 -0.134 0.000 1.218 104 Q HN 0.844 nan 8.270 nan 0.000 0.405 105 T N 0.525 115.135 114.554 0.092 0.000 2.887 105 T HA 0.598 4.960 4.350 0.019 0.000 0.292 105 T C -2.711 171.931 174.700 -0.096 0.000 1.087 105 T CA -2.029 60.099 62.100 0.046 0.000 1.009 105 T CB 1.847 70.792 68.868 0.128 0.000 1.203 105 T HN 0.485 nan 8.240 nan 0.000 0.518 106 P HA 0.430 nan 4.420 nan 0.000 0.247 106 P C 0.664 177.912 177.300 -0.086 0.000 1.756 106 P CA 0.579 63.545 63.100 -0.223 0.000 1.117 106 P CB -0.388 31.075 31.700 -0.396 0.000 1.869 107 G N 2.712 111.497 108.800 -0.024 0.000 2.781 107 G HA2 -0.127 3.844 3.960 0.019 0.000 0.683 107 G HA3 -0.127 3.844 3.960 0.019 0.000 0.683 107 G C 0.853 175.776 174.900 0.038 0.000 1.390 107 G CA -0.491 44.622 45.100 0.021 0.000 0.850 107 G HN 0.430 nan 8.290 nan 0.000 0.557 108 G N -1.347 107.472 108.800 0.031 0.000 2.448 108 G HA2 0.129 4.100 3.960 0.019 0.000 0.218 108 G HA3 0.129 4.100 3.960 0.019 0.000 0.218 108 G C 1.773 176.722 174.900 0.083 0.000 1.135 108 G CA 2.290 47.407 45.100 0.029 0.000 0.784 108 G HN 1.213 nan 8.290 nan 0.000 0.543 109 T N 0.857 115.478 114.554 0.111 0.000 2.857 109 T HA 0.004 4.365 4.350 0.019 0.000 0.266 109 T C 2.506 177.254 174.700 0.080 0.000 1.048 109 T CA 1.195 63.382 62.100 0.146 0.000 1.139 109 T CB -0.341 68.621 68.868 0.156 0.000 0.874 109 T HN 0.319 nan 8.240 nan 0.000 0.455 110 G N 1.147 109.983 108.800 0.059 0.000 2.422 110 G HA2 -0.019 3.952 3.960 0.019 0.000 0.218 110 G HA3 -0.019 3.952 3.960 0.019 0.000 0.218 110 G C 1.809 176.771 174.900 0.103 0.000 1.146 110 G CA 0.812 45.947 45.100 0.058 0.000 0.769 110 G HN 0.567 nan 8.290 nan 0.000 0.547 111 A N 0.548 123.429 122.820 0.101 0.000 1.933 111 A HA 0.122 4.454 4.320 0.019 0.000 0.218 111 A C 2.415 180.074 177.584 0.125 0.000 1.175 111 A CA 1.147 53.259 52.037 0.125 0.000 0.628 111 A CB -0.361 18.711 19.000 0.119 0.000 0.814 111 A HN 0.353 nan 8.150 nan 0.000 0.444 112 L N -1.216 120.068 121.223 0.102 0.000 2.046 112 L HA -0.154 4.198 4.340 0.019 0.000 0.208 112 L C 2.861 179.718 176.870 -0.022 0.000 1.077 112 L CA 1.196 56.071 54.840 0.059 0.000 0.747 112 L CB -0.468 41.609 42.059 0.031 0.000 0.896 112 L HN 0.316 nan 8.230 nan 0.000 0.432 113 R N 0.232 120.727 120.500 -0.008 0.000 2.073 113 R HA -0.118 4.233 4.340 0.019 0.000 0.234 113 R C 2.157 178.501 176.300 0.073 0.000 1.134 113 R CA 1.458 57.555 56.100 -0.005 0.000 0.952 113 R CB -0.632 29.685 30.300 0.028 0.000 0.850 113 R HN 0.197 nan 8.270 nan 0.000 0.433 114 V N 1.183 121.167 119.914 0.117 0.000 2.343 114 V HA -0.235 3.897 4.120 0.019 0.000 0.247 114 V C 2.576 178.781 176.094 0.184 0.000 1.051 114 V CA 1.871 64.253 62.300 0.136 0.000 1.036 114 V CB -0.871 31.036 31.823 0.141 0.000 0.654 114 V HN 0.425 nan 8.190 nan 0.000 0.451 115 A N -0.078 122.861 122.820 0.198 0.000 1.902 115 A HA -0.119 4.212 4.320 0.019 0.000 0.217 115 A C 2.440 180.237 177.584 0.354 0.000 1.181 115 A CA 2.111 54.323 52.037 0.291 0.000 0.623 115 A CB -0.813 18.361 19.000 0.290 0.000 0.818 115 A HN 0.564 nan 8.150 nan 0.000 0.443 116 A N 0.193 123.181 122.820 0.279 0.000 1.865 116 A HA -0.215 4.117 4.320 0.019 0.000 0.217 116 A C 1.801 179.504 177.584 0.200 0.000 1.191 116 A CA 1.969 54.176 52.037 0.283 0.000 0.623 116 A CB -0.699 18.369 19.000 0.113 0.000 0.826 116 A HN 0.466 nan 8.150 nan 0.000 0.444 117 D N -1.115 119.377 120.400 0.153 0.000 2.117 117 D HA -0.136 4.515 4.640 0.019 0.000 0.197 117 D C 1.628 178.009 176.300 0.134 0.000 0.987 117 D CA 1.357 55.426 54.000 0.114 0.000 0.829 117 D CB -0.502 40.350 40.800 0.087 0.000 0.961 117 D HN 0.471 nan 8.370 nan 0.000 0.460 118 F N 1.568 121.554 119.950 0.060 0.000 2.069 118 F HA -0.170 4.369 4.527 0.020 0.000 0.298 118 F C 2.132 177.975 175.800 0.071 0.000 1.113 118 F CA 1.290 59.325 58.000 0.058 0.000 1.214 118 F CB -0.495 38.550 39.000 0.076 0.000 0.978 118 F HN -0.120 nan 8.300 nan 0.000 0.474 119 L N 0.067 121.269 121.223 -0.035 0.000 2.017 119 L HA -0.202 4.150 4.340 0.019 0.000 0.208 119 L C 2.866 179.666 176.870 -0.117 0.000 1.073 119 L CA 1.269 56.031 54.840 -0.131 0.000 0.745 119 L CB -1.344 40.773 42.059 0.098 0.000 0.894 119 L HN 0.293 nan 8.230 nan 0.000 0.432 120 A N 1.282 124.089 122.820 -0.021 0.000 1.908 120 A HA -0.253 4.079 4.320 0.019 0.000 0.218 120 A C 2.168 179.721 177.584 -0.052 0.000 1.181 120 A CA 2.402 54.430 52.037 -0.015 0.000 0.627 120 A CB -0.393 18.622 19.000 0.026 0.000 0.818 120 A HN 0.565 nan 8.150 nan 0.000 0.445 121 K N -2.107 118.246 120.400 -0.078 0.000 2.358 121 K HA 0.226 4.558 4.320 0.019 0.000 0.197 121 K C 0.560 177.087 176.600 -0.121 0.000 1.025 121 K CA 0.542 56.783 56.287 -0.076 0.000 1.104 121 K CB 0.252 32.726 32.500 -0.043 0.000 0.855 121 K HN 0.288 nan 8.250 nan 0.000 0.531 122 N N 0.685 119.247 118.700 -0.229 0.000 2.159 122 N HA 0.038 4.789 4.740 0.019 0.000 0.217 122 N C -0.399 174.969 175.510 -0.237 0.000 1.223 122 N CA 0.616 53.506 53.050 -0.267 0.000 0.896 122 N CB 1.486 39.696 38.487 -0.460 0.000 1.064 122 N HN 0.461 nan 8.380 nan 0.000 0.518 123 T N -2.623 111.812 114.554 -0.197 0.000 2.804 123 T HA 0.281 4.643 4.350 0.019 0.000 0.290 123 T C 0.890 175.557 174.700 -0.055 0.000 1.099 123 T CA -0.497 61.536 62.100 -0.111 0.000 1.011 123 T CB 1.464 70.268 68.868 -0.106 0.000 1.291 123 T HN -0.084 nan 8.240 nan 0.000 0.523 124 S N -0.515 115.174 115.700 -0.017 0.000 2.593 124 S HA 0.204 4.686 4.470 0.019 0.000 0.217 124 S C 0.716 175.323 174.600 0.010 0.000 0.966 124 S CA -0.397 57.803 58.200 0.001 0.000 0.914 124 S CB -0.636 62.575 63.200 0.018 0.000 0.776 124 S HN 0.691 nan 8.310 nan 0.000 0.523 125 V N 2.916 122.835 119.914 0.009 0.000 2.644 125 V HA 0.086 4.218 4.120 0.019 0.000 0.305 125 V C 0.384 176.480 176.094 0.002 0.000 1.053 125 V CA 0.584 62.894 62.300 0.017 0.000 1.186 125 V CB -0.228 31.605 31.823 0.015 0.000 0.895 125 V HN 0.491 nan 8.190 nan 0.000 0.490 134 W N 4.603 125.733 121.300 -0.283 0.000 2.335 134 W HA 0.730 5.401 4.660 0.019 0.000 0.307 134 W C 0.080 176.523 176.519 -0.126 0.000 1.117 134 W CA -0.599 56.646 57.345 -0.167 0.000 1.228 134 W CB 1.828 31.185 29.460 -0.172 0.000 1.240 134 W HN 0.581 nan 8.180 nan 0.000 0.468 135 V N 0.876 120.782 119.914 -0.013 0.000 2.960 135 V HA 0.768 4.900 4.120 0.019 0.000 0.315 135 V C 0.187 175.894 176.094 -0.645 0.000 1.087 135 V CA -1.258 60.933 62.300 -0.183 0.000 0.982 135 V CB 1.245 33.017 31.823 -0.085 0.000 1.039 135 V HN 0.496 nan 8.190 nan 0.000 0.437 136 S N 1.778 116.995 115.700 -0.805 0.000 2.601 136 S HA 0.526 5.008 4.470 0.019 0.000 0.271 136 S C -0.280 174.094 174.600 -0.378 0.000 1.305 136 S CA -0.244 57.368 58.200 -0.980 0.000 1.022 136 S CB 0.743 63.527 63.200 -0.693 0.000 0.940 136 S HN 1.311 nan 8.310 nan 0.000 0.525 137 N N 1.813 120.367 118.700 -0.243 0.000 2.480 137 N HA 0.476 5.227 4.740 0.019 0.000 0.289 137 N C -2.925 172.602 175.510 0.029 0.000 1.073 137 N CA -1.730 51.277 53.050 -0.072 0.000 0.885 137 N CB 1.799 40.268 38.487 -0.031 0.000 1.421 137 N HN 0.470 nan 8.380 nan 0.000 0.503 138 P HA 0.329 nan 4.420 nan 0.000 0.270 138 P C -0.162 177.075 177.300 -0.104 0.000 1.223 138 P CA 0.005 63.069 63.100 -0.061 0.000 0.785 138 P CB 1.281 32.862 31.700 -0.198 0.000 0.923 139 G N -0.382 108.361 108.800 -0.095 0.000 2.815 139 G HA2 0.367 4.339 3.960 0.019 0.000 0.305 139 G HA3 0.367 4.339 3.960 0.019 0.000 0.305 139 G C -2.323 172.601 174.900 0.041 0.000 1.277 139 G CA -0.631 44.435 45.100 -0.057 0.000 0.795 139 G HN 0.497 nan 8.290 nan 0.000 0.528 140 W N 3.045 124.297 121.300 -0.079 0.000 2.294 140 W HA 0.545 5.216 4.660 0.019 0.000 0.314 140 W C -1.277 175.159 176.519 -0.139 0.000 1.044 140 W CA -2.670 54.570 57.345 -0.174 0.000 1.284 140 W CB 1.613 30.873 29.460 -0.332 0.000 1.231 140 W HN 0.364 nan 8.180 nan 0.000 0.419 141 P HA -0.246 nan 4.420 nan 0.000 0.217 141 P C 1.259 178.274 177.300 -0.476 0.000 1.151 141 P CA 2.255 65.161 63.100 -0.325 0.000 0.849 141 P CB 0.032 31.564 31.700 -0.280 0.000 0.787 142 T N -1.160 112.792 114.554 -1.005 0.000 2.849 142 T HA -0.169 4.193 4.350 0.019 0.000 0.270 142 T C 1.612 176.006 174.700 -0.509 0.000 1.066 142 T CA 1.346 62.861 62.100 -0.975 0.000 1.130 142 T CB -0.910 66.884 68.868 -1.789 0.000 0.864 142 T HN 0.423 nan 8.240 nan 0.000 0.481 143 H N 0.560 119.468 119.070 -0.270 0.000 2.290 143 H HA -0.038 4.529 4.556 0.019 0.000 0.298 143 H C 2.590 177.977 175.328 0.097 0.000 1.087 143 H CA 1.418 57.508 56.048 0.070 0.000 1.291 143 H CB 0.062 29.997 29.762 0.288 0.000 1.369 143 H HN 0.214 nan 8.280 nan 0.000 0.492 144 K N 0.510 121.010 120.400 0.166 0.000 2.026 144 K HA -0.145 4.187 4.320 0.019 0.000 0.208 144 K C 2.374 178.991 176.600 0.028 0.000 1.048 144 K CA 1.627 57.976 56.287 0.103 0.000 0.929 144 K CB 0.047 32.555 32.500 0.013 0.000 0.713 144 K HN 0.117 nan 8.250 nan 0.000 0.439 145 S N 0.364 116.021 115.700 -0.072 0.000 2.370 145 S HA -0.128 4.354 4.470 0.019 0.000 0.226 145 S C 1.956 176.490 174.600 -0.109 0.000 1.033 145 S CA 1.408 59.547 58.200 -0.103 0.000 1.011 145 S CB -0.187 62.916 63.200 -0.162 0.000 0.852 145 S HN 0.128 nan 8.310 nan 0.000 0.457 146 V N 0.915 120.722 119.914 -0.178 0.000 2.323 146 V HA -0.105 4.027 4.120 0.019 0.000 0.244 146 V C 1.939 177.880 176.094 -0.255 0.000 1.041 146 V CA 1.595 63.738 62.300 -0.262 0.000 1.025 146 V CB -0.812 30.763 31.823 -0.413 0.000 0.656 146 V HN 0.385 nan 8.190 nan 0.000 0.451 147 F N 0.812 120.768 119.950 0.009 0.000 2.186 147 F HA -0.077 4.462 4.527 0.020 0.000 0.299 147 F C 2.216 178.003 175.800 -0.021 0.000 1.090 147 F CA 1.437 59.436 58.000 -0.002 0.000 1.307 147 F CB -1.019 37.970 39.000 -0.017 0.000 1.019 147 F HN 0.197 nan 8.300 nan 0.000 0.489 148 N N -0.322 118.448 118.700 0.117 0.000 2.188 148 N HA -0.167 4.585 4.740 0.019 0.000 0.184 148 N C 1.974 177.497 175.510 0.020 0.000 1.018 148 N CA 1.184 54.263 53.050 0.047 0.000 0.858 148 N CB -0.162 38.331 38.487 0.010 0.000 0.989 148 N HN 0.249 nan 8.380 nan 0.000 0.426 149 S N 0.332 116.031 115.700 -0.001 0.000 2.447 149 S HA 0.007 4.489 4.470 0.019 0.000 0.233 149 S C 1.759 176.362 174.600 0.005 0.000 1.006 149 S CA 0.770 58.963 58.200 -0.012 0.000 0.957 149 S CB -0.009 63.169 63.200 -0.036 0.000 0.773 149 S HN 0.298 nan 8.310 nan 0.000 0.507 150 A N 0.383 123.220 122.820 0.028 0.000 2.275 150 A HA 0.609 4.941 4.320 0.019 0.000 0.212 150 A C 1.647 179.258 177.584 0.044 0.000 1.201 150 A CA 0.425 52.489 52.037 0.044 0.000 0.843 150 A CB -0.801 18.248 19.000 0.081 0.000 0.873 150 A HN 1.525 nan 8.150 nan 0.000 0.492 151 G N -1.305 107.517 108.800 0.037 0.000 2.141 151 G HA2 -0.177 3.794 3.960 0.019 0.000 0.231 151 G HA3 -0.177 3.794 3.960 0.019 0.000 0.231 151 G C 0.081 174.995 174.900 0.023 0.000 0.984 151 G CA 0.302 45.416 45.100 0.023 0.000 0.660 151 G HN 0.394 nan 8.290 nan 0.000 0.525 155 V N 2.022 121.825 119.914 -0.185 0.000 2.435 155 V HA 0.620 4.751 4.120 0.019 0.000 0.290 155 V C -0.197 175.675 176.094 -0.371 0.000 1.030 155 V CA -0.765 61.381 62.300 -0.257 0.000 0.881 155 V CB 1.376 33.127 31.823 -0.121 0.000 0.983 155 V HN 0.560 nan 8.190 nan 0.000 0.445 156 R N 2.712 122.842 120.500 -0.616 0.000 2.803 156 R HA 0.639 4.991 4.340 0.019 0.000 0.276 156 R C -0.675 175.339 176.300 -0.477 0.000 0.978 156 R CA -0.732 54.886 56.100 -0.803 0.000 0.939 156 R CB 2.247 31.427 30.300 -1.868 0.000 1.179 156 R HN 0.746 nan 8.270 nan 0.000 0.472 157 E N 1.579 121.660 120.200 -0.199 0.000 2.195 157 E HA 0.330 4.692 4.350 0.019 0.000 0.271 157 E C -1.010 175.769 176.600 0.299 0.000 0.923 157 E CA -0.771 55.632 56.400 0.005 0.000 0.790 157 E CB 1.782 31.455 29.700 -0.045 0.000 1.155 157 E HN 0.433 nan 8.360 nan 0.000 0.402 158 Y N -0.277 120.168 120.300 0.242 0.000 2.429 158 Y HA 0.738 5.300 4.550 0.019 0.000 0.342 158 Y C -0.199 175.788 175.900 0.146 0.000 1.004 158 Y CA -1.578 56.640 58.100 0.197 0.000 1.075 158 Y CB 0.711 39.235 38.460 0.107 0.000 1.214 158 Y HN 0.515 nan 8.280 nan 0.000 0.455 159 A N 2.435 125.439 122.820 0.307 0.000 2.448 159 A HA 0.299 4.631 4.320 0.019 0.000 0.239 159 A C -0.548 177.252 177.584 0.359 0.000 1.080 159 A CA 0.548 52.725 52.037 0.233 0.000 0.779 159 A CB -0.123 18.965 19.000 0.148 0.000 1.026 159 A HN 1.124 nan 8.150 nan 0.000 0.499 160 Y N -0.612 119.758 120.300 0.116 0.000 2.510 160 Y HA 0.213 4.774 4.550 0.019 0.000 0.285 160 Y C -0.559 175.409 175.900 0.113 0.000 1.089 160 Y CA -0.040 58.123 58.100 0.105 0.000 1.007 160 Y CB 0.203 38.674 38.460 0.018 0.000 1.372 160 Y HN 0.662 nan 8.280 nan 0.000 0.563 161 Y N 2.523 122.869 120.300 0.077 0.000 2.360 161 Y HA 0.435 4.997 4.550 0.020 0.000 0.337 161 Y C -0.706 175.191 175.900 -0.004 0.000 1.039 161 Y CA -1.483 56.626 58.100 0.015 0.000 1.109 161 Y CB 1.003 39.536 38.460 0.122 0.000 1.201 161 Y HN 0.058 nan 8.280 nan 0.000 0.458 162 D N 4.736 124.801 120.400 -0.558 0.000 2.479 162 D HA 0.265 4.916 4.640 0.019 0.000 0.218 162 D C 0.566 176.370 176.300 -0.825 0.000 1.131 162 D CA 0.212 53.916 54.000 -0.493 0.000 0.916 162 D CB 1.150 41.727 40.800 -0.371 0.000 1.022 162 D HN 0.811 nan 8.370 nan 0.000 0.515 163 A N 3.846 126.345 122.820 -0.534 0.000 2.019 163 A HA -0.160 4.171 4.320 0.019 0.000 0.219 163 A C 1.802 179.026 177.584 -0.600 0.000 1.164 163 A CA 1.158 52.945 52.037 -0.418 0.000 0.644 163 A CB -0.115 18.865 19.000 -0.032 0.000 0.805 163 A HN 0.625 nan 8.150 nan 0.000 0.449 164 E N -0.377 119.530 120.200 -0.488 0.000 2.112 164 E HA -0.055 4.307 4.350 0.019 0.000 0.190 164 E C 0.879 177.127 176.600 -0.587 0.000 0.979 164 E CA 0.804 56.929 56.400 -0.458 0.000 0.814 164 E CB -0.066 29.479 29.700 -0.258 0.000 0.762 164 E HN 0.553 nan 8.360 nan 0.000 0.460 165 N N 0.143 118.517 118.700 -0.543 0.000 2.236 165 N HA -0.009 4.742 4.740 0.019 0.000 0.196 165 N C -0.634 174.660 175.510 -0.359 0.000 1.114 165 N CA 0.191 53.013 53.050 -0.381 0.000 0.859 165 N CB 0.525 38.876 38.487 -0.226 0.000 0.982 165 N HN 0.178 nan 8.380 nan 0.000 0.493 166 H N -0.044 118.769 119.070 -0.428 0.000 2.677 166 H HA -0.145 4.422 4.556 0.019 0.000 0.321 166 H C 0.007 175.218 175.328 -0.195 0.000 1.171 166 H CA 1.072 56.884 56.048 -0.393 0.000 1.139 166 H CB -1.857 27.683 29.762 -0.370 0.000 1.515 166 H HN 0.165 nan 8.280 nan 0.000 0.423 167 T N -0.613 113.756 114.554 -0.308 0.000 2.812 167 T HA 0.525 4.887 4.350 0.019 0.000 0.294 167 T C -0.407 174.184 174.700 -0.182 0.000 1.159 167 T CA -0.846 61.182 62.100 -0.120 0.000 1.008 167 T CB 2.072 70.879 68.868 -0.102 0.000 1.289 167 T HN 0.270 nan 8.240 nan 0.000 0.514 168 L N 2.596 123.741 121.223 -0.130 0.000 2.313 168 L HA 0.365 4.716 4.340 0.019 0.000 0.282 168 L C -0.121 176.640 176.870 -0.182 0.000 1.092 168 L CA -0.262 54.427 54.840 -0.251 0.000 0.831 168 L CB 0.462 42.326 42.059 -0.325 0.000 1.159 168 L HN 0.635 nan 8.230 nan 0.000 0.442 169 D N 4.626 124.917 120.400 -0.182 0.000 2.551 169 D HA -0.071 4.580 4.640 0.019 0.000 0.223 169 D C 0.953 177.237 176.300 -0.027 0.000 1.144 169 D CA -0.004 53.942 54.000 -0.091 0.000 1.025 169 D CB 0.230 40.981 40.800 -0.082 0.000 1.085 169 D HN 0.523 nan 8.370 nan 0.000 0.506 170 F N 2.197 122.054 119.950 -0.155 0.000 2.091 170 F HA -0.227 4.311 4.527 0.019 0.000 0.299 170 F C 1.535 177.298 175.800 -0.062 0.000 1.103 170 F CA 1.578 59.507 58.000 -0.119 0.000 1.228 170 F CB 0.046 38.981 39.000 -0.109 0.000 0.984 170 F HN 0.241 nan 8.300 nan 0.000 0.477 171 D N -0.037 120.365 120.400 0.003 0.000 2.106 171 D HA -0.208 4.444 4.640 0.019 0.000 0.191 171 D C 2.336 178.574 176.300 -0.103 0.000 0.997 171 D CA 1.838 55.797 54.000 -0.067 0.000 0.834 171 D CB -0.603 40.192 40.800 -0.009 0.000 0.956 171 D HN 0.323 nan 8.370 nan 0.000 0.448 172 A N 0.204 122.987 122.820 -0.061 0.000 2.019 172 A HA -0.100 4.232 4.320 0.019 0.000 0.219 172 A C 2.133 179.696 177.584 -0.035 0.000 1.164 172 A CA 0.814 52.831 52.037 -0.034 0.000 0.644 172 A CB -0.728 18.271 19.000 -0.003 0.000 0.805 172 A HN 0.312 nan 8.150 nan 0.000 0.449 173 L N -0.445 120.731 121.223 -0.078 0.000 2.027 173 L HA -0.144 4.208 4.340 0.019 0.000 0.206 173 L C 2.239 178.999 176.870 -0.183 0.000 1.074 173 L CA 1.288 56.091 54.840 -0.062 0.000 0.745 173 L CB -0.229 41.776 42.059 -0.090 0.000 0.898 173 L HN 0.278 nan 8.230 nan 0.000 0.433 174 I N 0.458 120.838 120.570 -0.317 0.000 2.179 174 I HA -0.287 3.894 4.170 0.019 0.000 0.242 174 I C 2.267 178.302 176.117 -0.136 0.000 1.088 174 I CA 1.356 62.498 61.300 -0.263 0.000 1.357 174 I CB -1.676 36.119 38.000 -0.343 0.000 1.051 174 I HN 0.430 nan 8.210 nan 0.000 0.409 175 N N 0.300 118.934 118.700 -0.110 0.000 2.166 175 N HA -0.150 4.602 4.740 0.019 0.000 0.186 175 N C 2.045 177.524 175.510 -0.053 0.000 1.019 175 N CA 1.389 54.403 53.050 -0.061 0.000 0.856 175 N CB -0.177 38.287 38.487 -0.039 0.000 0.993 175 N HN 0.258 nan 8.380 nan 0.000 0.426 176 S N 0.796 116.467 115.700 -0.048 0.000 2.383 176 S HA 0.081 4.562 4.470 0.019 0.000 0.227 176 S C 1.875 176.363 174.600 -0.185 0.000 1.026 176 S CA 0.471 58.659 58.200 -0.020 0.000 0.981 176 S CB -0.048 63.208 63.200 0.093 0.000 0.818 176 S HN 0.221 nan 8.310 nan 0.000 0.472 177 L N 1.579 122.630 121.223 -0.287 0.000 2.478 177 L HA 0.071 4.423 4.340 0.019 0.000 0.223 177 L C 1.840 178.543 176.870 -0.278 0.000 1.140 177 L CA 0.232 54.743 54.840 -0.547 0.000 0.842 177 L CB -0.476 41.241 42.059 -0.569 0.000 0.953 177 L HN 0.291 nan 8.230 nan 0.000 0.452 178 N N 0.458 119.096 118.700 -0.103 0.000 2.364 178 N HA -0.222 4.530 4.740 0.019 0.000 0.183 178 N C 1.590 177.084 175.510 -0.028 0.000 1.022 178 N CA 0.961 54.010 53.050 -0.002 0.000 0.883 178 N CB 0.074 38.557 38.487 -0.007 0.000 0.965 178 N HN 0.464 nan 8.380 nan 0.000 0.438 179 E N 0.358 120.486 120.200 -0.121 0.000 2.482 179 E HA 0.096 4.458 4.350 0.019 0.000 0.196 179 E C -0.135 176.432 176.600 -0.055 0.000 1.047 179 E CA -0.240 56.141 56.400 -0.032 0.000 0.869 179 E CB 0.194 29.940 29.700 0.077 0.000 0.836 179 E HN 0.194 nan 8.360 nan 0.000 0.520 180 A N 1.256 123.861 122.820 -0.358 0.000 2.362 180 A HA 0.241 4.573 4.320 0.019 0.000 0.276 180 A C -0.313 177.372 177.584 0.170 0.000 1.153 180 A CA -0.355 51.459 52.037 -0.370 0.000 0.813 180 A CB 0.587 18.833 19.000 -1.257 0.000 1.081 180 A HN 0.220 nan 8.150 nan 0.000 0.507 181 Q N 0.852 120.798 119.800 0.244 0.000 2.180 181 Q HA 0.601 4.952 4.340 0.019 0.000 0.241 181 Q C 0.311 176.503 176.000 0.321 0.000 0.970 181 Q CA -0.474 55.481 55.803 0.252 0.000 0.919 181 Q CB 1.389 30.239 28.738 0.187 0.000 1.222 181 Q HN 0.920 nan 8.270 nan 0.000 0.482 182 A N 0.299 123.252 122.820 0.223 0.000 2.511 182 A HA 0.436 4.768 4.320 0.019 0.000 0.242 182 A C 1.068 178.771 177.584 0.198 0.000 1.069 182 A CA 0.732 52.890 52.037 0.202 0.000 0.763 182 A CB -0.754 18.305 19.000 0.097 0.000 1.001 182 A HN 0.979 nan 8.150 nan 0.000 0.498 183 G N 1.721 110.651 108.800 0.217 0.000 2.195 183 G HA2 -0.183 3.788 3.960 0.019 0.000 0.246 183 G HA3 -0.183 3.788 3.960 0.019 0.000 0.246 183 G C -0.057 174.948 174.900 0.176 0.000 0.984 183 G CA 0.357 45.559 45.100 0.170 0.000 0.633 183 G HN 0.826 nan 8.290 nan 0.000 0.525 184 D N 0.089 120.628 120.400 0.232 0.000 2.304 184 D HA 0.535 5.187 4.640 0.019 0.000 0.247 184 D C 0.522 176.914 176.300 0.154 0.000 1.089 184 D CA -0.157 53.963 54.000 0.200 0.000 0.910 184 D CB 1.782 42.746 40.800 0.273 0.000 1.199 184 D HN 0.121 nan 8.370 nan 0.000 0.426 185 V N 2.160 122.122 119.914 0.080 0.000 2.481 185 V HA 0.315 4.447 4.120 0.019 0.000 0.286 185 V C 0.028 176.080 176.094 -0.070 0.000 1.042 185 V CA -0.568 61.734 62.300 0.003 0.000 0.928 185 V CB 1.731 33.503 31.823 -0.085 0.000 0.986 185 V HN 0.230 nan 8.190 nan 0.000 0.462 186 V N 6.376 126.186 119.914 -0.173 0.000 2.407 186 V HA 0.422 4.554 4.120 0.019 0.000 0.291 186 V C -0.269 175.483 176.094 -0.570 0.000 1.018 186 V CA -0.496 61.556 62.300 -0.414 0.000 0.842 186 V CB 1.679 33.077 31.823 -0.709 0.000 0.996 186 V HN 0.714 nan 8.190 nan 0.000 0.426 187 L N 5.587 126.515 121.223 -0.492 0.000 2.292 187 L HA 0.664 5.015 4.340 0.019 0.000 0.284 187 L C -1.325 175.234 176.870 -0.519 0.000 1.065 187 L CA -0.009 54.559 54.840 -0.453 0.000 0.806 187 L CB 0.739 42.591 42.059 -0.345 0.000 1.175 187 L HN 0.484 nan 8.230 nan 0.000 0.431 188 F N 2.560 122.356 119.950 -0.257 0.000 2.546 188 F HA 0.438 4.976 4.527 0.019 0.000 0.320 188 F C 0.127 175.901 175.800 -0.043 0.000 1.076 188 F CA -0.662 57.239 58.000 -0.166 0.000 0.928 188 F CB 1.375 40.003 39.000 -0.620 0.000 1.189 188 F HN 0.381 nan 8.300 nan 0.000 0.465 189 H N 1.404 120.624 119.070 0.250 0.000 2.620 189 H HA 0.165 4.733 4.556 0.019 0.000 0.313 189 H C 1.014 176.465 175.328 0.205 0.000 1.075 189 H CA 0.132 56.284 56.048 0.173 0.000 1.397 189 H CB 1.603 31.451 29.762 0.143 0.000 1.446 189 H HN 0.951 nan 8.280 nan 0.000 0.493 190 G N 3.075 111.854 108.800 -0.035 0.000 2.476 190 G HA2 -0.216 3.755 3.960 0.019 0.000 0.218 190 G HA3 -0.216 3.755 3.960 0.019 0.000 0.218 190 G C 0.566 175.314 174.900 -0.254 0.000 1.164 190 G CA 1.270 45.996 45.100 -0.623 0.000 0.768 190 G HN 0.786 nan 8.290 nan 0.000 0.560 191 C N -5.551 113.720 119.300 -0.048 0.000 3.275 191 C HA 0.510 4.982 4.460 0.019 0.000 0.340 191 C C 0.380 175.526 174.990 0.260 0.000 1.366 191 C CA -0.942 58.206 59.018 0.217 0.000 1.227 191 C CB 0.633 28.511 27.740 0.231 0.000 1.512 191 C HN 0.984 nan 8.230 nan 0.000 0.461 192 C N 2.272 121.715 119.300 0.239 0.000 3.896 192 C HA -0.126 4.345 4.460 0.019 0.000 0.300 192 C C 0.610 175.670 174.990 0.117 0.000 1.322 192 C CA 1.149 60.239 59.018 0.121 0.000 2.130 192 C CB -3.328 24.395 27.740 -0.029 0.000 1.363 192 C HN 1.284 nan 8.230 nan 0.000 0.642 193 H N 1.741 120.864 119.070 0.089 0.000 3.195 193 H HA -0.013 4.554 4.556 0.020 0.000 0.302 193 H C 0.560 175.834 175.328 -0.091 0.000 0.950 193 H CA 1.628 57.645 56.048 -0.051 0.000 1.398 193 H CB 0.395 30.075 29.762 -0.137 0.000 1.377 193 H HN 0.806 nan 8.280 nan 0.000 0.572 194 N N 6.441 124.857 118.700 -0.473 0.000 2.422 194 N HA 0.137 4.889 4.740 0.019 0.000 0.266 194 N C -1.983 173.182 175.510 -0.575 0.000 1.007 194 N CA -1.760 51.102 53.050 -0.313 0.000 0.941 194 N CB 1.196 39.613 38.487 -0.116 0.000 1.115 194 N HN 0.461 nan 8.380 nan 0.000 0.492 195 P HA 0.079 nan 4.420 nan 0.000 0.275 195 P C 0.878 178.010 177.300 -0.280 0.000 1.310 195 P CA 0.189 63.068 63.100 -0.369 0.000 0.904 195 P CB 0.417 31.873 31.700 -0.408 0.000 1.381 196 T N -3.933 110.471 114.554 -0.250 0.000 2.951 196 T HA 0.086 4.448 4.350 0.019 0.000 0.268 196 T C 1.751 176.506 174.700 0.092 0.000 1.073 196 T CA 1.397 63.355 62.100 -0.238 0.000 1.134 196 T CB -1.394 67.272 68.868 -0.337 0.000 0.884 196 T HN 0.183 nan 8.240 nan 0.000 0.479 197 G N 1.265 110.165 108.800 0.167 0.000 2.168 197 G HA2 -0.187 3.785 3.960 0.019 0.000 0.263 197 G HA3 -0.187 3.785 3.960 0.019 0.000 0.263 197 G C 0.017 175.042 174.900 0.208 0.000 0.977 197 G CA 0.209 45.419 45.100 0.184 0.000 0.659 197 G HN 0.604 nan 8.290 nan 0.000 0.533 198 I N 1.713 122.418 120.570 0.224 0.000 2.330 198 I HA 0.420 4.601 4.170 0.019 0.000 0.289 198 I C -0.510 175.731 176.117 0.206 0.000 1.001 198 I CA -0.948 60.473 61.300 0.203 0.000 1.193 198 I CB 1.176 39.302 38.000 0.210 0.000 1.345 198 I HN -0.041 nan 8.210 nan 0.000 0.461 199 D N 7.759 128.262 120.400 0.173 0.000 2.272 199 D HA 0.516 5.168 4.640 0.019 0.000 0.247 199 D C -2.336 173.957 176.300 -0.012 0.000 0.990 199 D CA -1.343 52.760 54.000 0.172 0.000 0.931 199 D CB 1.459 42.428 40.800 0.281 0.000 1.195 199 D HN 0.179 nan 8.370 nan 0.000 0.477 200 P HA 0.132 nan 4.420 nan 0.000 0.274 200 P C 0.029 177.158 177.300 -0.284 0.000 1.231 200 P CA -0.263 62.548 63.100 -0.481 0.000 0.790 200 P CB 0.406 31.452 31.700 -1.090 0.000 0.951 201 T N -0.410 114.023 114.554 -0.203 0.000 2.754 201 T HA 0.080 4.442 4.350 0.019 0.000 0.286 201 T C 1.109 175.869 174.700 0.100 0.000 0.997 201 T CA -0.582 61.503 62.100 -0.024 0.000 0.982 201 T CB 0.194 69.019 68.868 -0.070 0.000 1.027 201 T HN 0.180 nan 8.240 nan 0.000 0.529 202 L N 0.553 121.896 121.223 0.200 0.000 2.079 202 L HA -0.009 4.342 4.340 0.019 0.000 0.210 202 L C 2.386 179.377 176.870 0.200 0.000 1.081 202 L CA 1.892 56.903 54.840 0.284 0.000 0.752 202 L CB -1.271 40.897 42.059 0.181 0.000 0.896 202 L HN 0.787 nan 8.230 nan 0.000 0.433 203 E N -0.564 119.677 120.200 0.069 0.000 2.106 203 E HA -0.204 4.157 4.350 0.019 0.000 0.192 203 E C 2.225 178.808 176.600 -0.028 0.000 0.984 203 E CA 1.348 57.758 56.400 0.016 0.000 0.806 203 E CB -0.203 29.472 29.700 -0.041 0.000 0.750 203 E HN 0.643 nan 8.360 nan 0.000 0.458 204 Q N -1.130 118.579 119.800 -0.152 0.000 2.123 204 Q HA -0.109 4.242 4.340 0.019 0.000 0.199 204 Q C 1.825 177.850 176.000 0.043 0.000 0.966 204 Q CA 1.020 56.630 55.803 -0.321 0.000 0.845 204 Q CB -0.215 28.092 28.738 -0.718 0.000 0.907 204 Q HN 0.416 nan 8.270 nan 0.000 0.439 205 W N 1.513 122.872 121.300 0.098 0.000 2.358 205 W HA -0.203 4.469 4.660 0.019 0.000 0.303 205 W C 2.366 178.990 176.519 0.174 0.000 1.208 205 W CA 0.823 58.298 57.345 0.218 0.000 1.274 205 W CB 0.066 29.660 29.460 0.223 0.000 1.138 205 W HN 0.220 nan 8.180 nan 0.000 0.515 206 Q N -0.750 119.250 119.800 0.334 0.000 2.084 206 Q HA -0.183 4.169 4.340 0.019 0.000 0.202 206 Q C 2.028 178.088 176.000 0.100 0.000 0.978 206 Q CA 2.163 58.062 55.803 0.160 0.000 0.844 206 Q CB -0.628 28.176 28.738 0.109 0.000 0.898 206 Q HN 0.203 nan 8.270 nan 0.000 0.426 207 T N 1.324 115.962 114.554 0.141 0.000 2.746 207 T HA -0.103 4.258 4.350 0.019 0.000 0.267 207 T C 1.847 176.644 174.700 0.162 0.000 1.039 207 T CA 0.871 63.062 62.100 0.152 0.000 1.142 207 T CB -0.182 68.837 68.868 0.252 0.000 0.866 207 T HN 0.172 nan 8.240 nan 0.000 0.444 208 L N 0.682 122.061 121.223 0.260 0.000 2.046 208 L HA -0.089 4.263 4.340 0.019 0.000 0.208 208 L C 3.032 179.931 176.870 0.048 0.000 1.077 208 L CA 1.182 56.199 54.840 0.293 0.000 0.747 208 L CB -0.650 41.677 42.059 0.447 0.000 0.896 208 L HN 0.246 nan 8.230 nan 0.000 0.432 209 A N -0.356 122.259 122.820 -0.341 0.000 1.902 209 A HA -0.284 4.047 4.320 0.019 0.000 0.217 209 A C 2.201 179.585 177.584 -0.334 0.000 1.181 209 A CA 1.921 53.420 52.037 -0.897 0.000 0.623 209 A CB -0.509 18.056 19.000 -0.726 0.000 0.818 209 A HN 0.417 nan 8.150 nan 0.000 0.443 210 Q N -0.480 119.210 119.800 -0.183 0.000 2.046 210 Q HA -0.119 4.233 4.340 0.019 0.000 0.200 210 Q C 1.832 177.736 176.000 -0.161 0.000 0.975 210 Q CA 1.861 57.575 55.803 -0.148 0.000 0.836 210 Q CB -0.600 28.090 28.738 -0.081 0.000 0.896 210 Q HN 0.470 nan 8.270 nan 0.000 0.428 211 L N 0.070 121.221 121.223 -0.120 0.000 2.083 211 L HA -0.078 4.273 4.340 0.019 0.000 0.209 211 L C 2.355 178.954 176.870 -0.452 0.000 1.083 211 L CA 2.198 56.909 54.840 -0.216 0.000 0.752 211 L CB -1.139 40.862 42.059 -0.096 0.000 0.899 211 L HN 0.344 nan 8.230 nan 0.000 0.433 212 S N -1.469 114.104 115.700 -0.211 0.000 2.356 212 S HA -0.164 4.318 4.470 0.019 0.000 0.223 212 S C 1.990 176.510 174.600 -0.133 0.000 1.032 212 S CA 1.582 59.742 58.200 -0.067 0.000 1.005 212 S CB -0.396 63.204 63.200 0.665 0.000 0.867 212 S HN 0.298 nan 8.310 nan 0.000 0.449 213 V N 1.947 121.739 119.914 -0.204 0.000 2.255 213 V HA -0.175 3.956 4.120 0.019 0.000 0.247 213 V C 2.584 178.533 176.094 -0.242 0.000 1.051 213 V CA 2.387 64.505 62.300 -0.303 0.000 1.018 213 V CB -0.850 30.733 31.823 -0.402 0.000 0.641 213 V HN 0.642 nan 8.190 nan 0.000 0.445 214 E N 0.185 120.224 120.200 -0.269 0.000 2.085 214 E HA -0.269 4.093 4.350 0.019 0.000 0.194 214 E C 2.002 178.428 176.600 -0.290 0.000 0.994 214 E CA 1.519 57.773 56.400 -0.244 0.000 0.801 214 E CB -0.052 29.512 29.700 -0.226 0.000 0.743 214 E HN 0.542 nan 8.360 nan 0.000 0.453 215 K N -0.922 119.180 120.400 -0.496 0.000 2.404 215 K HA 0.091 4.423 4.320 0.019 0.000 0.194 215 K C 0.565 176.918 176.600 -0.412 0.000 1.023 215 K CA 0.432 56.387 56.287 -0.554 0.000 1.094 215 K CB 0.646 32.563 32.500 -0.972 0.000 0.841 215 K HN 0.309 nan 8.250 nan 0.000 0.523 216 G N 1.890 110.530 108.800 -0.267 0.000 2.272 216 G HA2 -0.188 3.783 3.960 0.019 0.000 0.280 216 G HA3 -0.188 3.783 3.960 0.019 0.000 0.280 216 G C -0.447 174.553 174.900 0.168 0.000 1.067 216 G CA -0.216 44.869 45.100 -0.025 0.000 0.902 216 G HN 0.152 nan 8.290 nan 0.000 0.500 217 W N -1.292 120.103 121.300 0.159 0.000 2.283 217 W HA 0.679 5.351 4.660 0.019 0.000 0.341 217 W C 0.241 176.883 176.519 0.204 0.000 1.206 217 W CA -1.694 55.744 57.345 0.155 0.000 1.294 217 W CB 0.724 30.270 29.460 0.144 0.000 1.154 217 W HN 0.196 nan 8.180 nan 0.000 0.613 218 L N 4.977 126.434 121.223 0.390 0.000 2.264 218 L HA 0.450 4.801 4.340 0.019 0.000 0.287 218 L C -2.380 174.631 176.870 0.234 0.000 1.039 218 L CA -2.213 52.797 54.840 0.283 0.000 0.829 218 L CB 0.494 42.682 42.059 0.214 0.000 1.211 218 L HN -0.031 nan 8.230 nan 0.000 0.427 219 P HA 0.223 nan 4.420 nan 0.000 0.276 219 P C -1.414 176.007 177.300 0.202 0.000 1.230 219 P CA -0.290 62.954 63.100 0.239 0.000 0.776 219 P CB 0.915 32.820 31.700 0.342 0.000 0.888 220 L N 5.277 126.545 121.223 0.075 0.000 2.406 220 L HA 0.528 4.879 4.340 0.019 0.000 0.270 220 L C -1.762 175.134 176.870 0.042 0.000 0.982 220 L CA -0.869 54.040 54.840 0.115 0.000 0.843 220 L CB -0.003 42.084 42.059 0.047 0.000 1.225 220 L HN 0.124 nan 8.230 nan 0.000 0.412 221 F N 3.326 123.337 119.950 0.101 0.000 2.408 221 F HA 0.391 4.929 4.527 0.019 0.000 0.344 221 F C 0.556 176.405 175.800 0.082 0.000 1.112 221 F CA -0.185 57.868 58.000 0.087 0.000 1.096 221 F CB 1.277 40.318 39.000 0.069 0.000 1.129 221 F HN 0.456 nan 8.300 nan 0.000 0.486 222 D N 3.954 124.443 120.400 0.148 0.000 2.392 222 D HA 0.160 4.811 4.640 0.019 0.000 0.228 222 D C -1.403 174.945 176.300 0.080 0.000 1.074 222 D CA -0.231 53.822 54.000 0.088 0.000 0.838 222 D CB 0.318 41.108 40.800 -0.017 0.000 1.067 222 D HN 0.199 nan 8.370 nan 0.000 0.511 223 F N 3.040 123.008 119.950 0.030 0.000 2.363 223 F HA 0.474 5.013 4.527 0.020 0.000 0.366 223 F C 0.694 176.419 175.800 -0.124 0.000 1.083 223 F CA -0.781 57.221 58.000 0.002 0.000 1.176 223 F CB 1.313 40.295 39.000 -0.031 0.000 1.432 223 F HN 0.501 nan 8.300 nan 0.000 0.482 224 A N 3.004 125.841 122.820 0.028 0.000 2.431 224 A HA 0.197 4.529 4.320 0.019 0.000 0.239 224 A C -0.100 177.166 177.584 -0.529 0.000 1.230 224 A CA 0.253 52.091 52.037 -0.332 0.000 0.928 224 A CB -0.208 18.417 19.000 -0.626 0.000 1.006 224 A HN 0.570 nan 8.150 nan 0.000 0.520 225 Y N -0.003 120.442 120.300 0.241 0.000 2.715 225 Y HA 0.302 4.864 4.550 0.020 0.000 0.255 225 Y C 0.599 176.789 175.900 0.484 0.000 1.139 225 Y CA -0.808 57.483 58.100 0.318 0.000 1.151 225 Y CB -0.053 38.508 38.460 0.169 0.000 1.201 225 Y HN 0.387 nan 8.280 nan 0.000 0.556 226 Q N 0.996 121.107 119.800 0.519 0.000 2.247 226 Q HA 0.328 4.679 4.340 0.019 0.000 0.288 226 Q C 1.154 177.297 176.000 0.239 0.000 1.079 226 Q CA 1.523 57.556 55.803 0.384 0.000 0.932 226 Q CB 0.136 28.846 28.738 -0.047 0.000 1.133 226 Q HN 0.785 nan 8.270 nan 0.000 0.377 227 G N 3.329 112.231 108.800 0.169 0.000 2.201 227 G HA2 -0.257 3.715 3.960 0.019 0.000 0.212 227 G HA3 -0.257 3.715 3.960 0.019 0.000 0.212 227 G C 0.154 174.948 174.900 -0.177 0.000 0.994 227 G CA 0.039 45.098 45.100 -0.069 0.000 0.644 227 G HN 0.658 nan 8.290 nan 0.000 0.508 228 F N 1.251 121.263 119.950 0.103 0.000 2.749 228 F HA 0.573 5.110 4.527 0.017 0.000 0.300 228 F C 2.431 178.274 175.800 0.072 0.000 1.103 228 F CA 1.204 59.252 58.000 0.079 0.000 1.342 228 F CB 0.350 39.431 39.000 0.135 0.000 1.098 228 F HN 0.353 nan 8.300 nan 0.000 0.586 229 A N 0.463 123.426 122.820 0.238 0.000 1.896 229 A HA 0.162 4.493 4.320 0.019 0.000 0.213 229 A C 2.001 179.654 177.584 0.115 0.000 1.306 229 A CA 0.774 52.920 52.037 0.182 0.000 0.626 229 A CB -0.075 19.049 19.000 0.206 0.000 0.994 229 A HN 0.240 nan 8.150 nan 0.000 0.475 230 R N -2.308 118.249 120.500 0.095 0.000 2.320 230 R HA 0.432 4.783 4.340 0.019 0.000 0.193 230 R C 0.651 176.954 176.300 0.006 0.000 0.885 230 R CA 0.647 56.779 56.100 0.052 0.000 1.085 230 R CB 0.997 31.338 30.300 0.069 0.000 1.253 230 R HN 0.637 nan 8.270 nan 0.000 0.636 234 E N 1.381 121.570 120.200 -0.020 0.000 2.047 234 E HA -0.176 4.185 4.350 0.019 0.000 0.191 234 E C 1.638 178.248 176.600 0.018 0.000 0.987 234 E CA 1.671 58.064 56.400 -0.011 0.000 0.799 234 E CB 0.087 29.781 29.700 -0.010 0.000 0.752 234 E HN 0.458 nan 8.360 nan 0.000 0.449 235 E N 1.127 121.346 120.200 0.032 0.000 2.077 235 E HA -0.158 4.203 4.350 0.019 0.000 0.193 235 E C 1.663 178.326 176.600 0.105 0.000 0.989 235 E CA 1.244 57.681 56.400 0.062 0.000 0.800 235 E CB -0.158 29.578 29.700 0.060 0.000 0.746 235 E HN 0.164 nan 8.360 nan 0.000 0.452 236 D N -0.174 120.308 120.400 0.137 0.000 2.309 236 D HA -0.081 4.570 4.640 0.019 0.000 0.212 236 D C 1.231 177.729 176.300 0.330 0.000 0.968 236 D CA 1.173 55.318 54.000 0.241 0.000 0.882 236 D CB -0.086 40.895 40.800 0.301 0.000 0.918 236 D HN 0.233 nan 8.370 nan 0.000 0.503 237 A N 0.157 123.101 122.820 0.205 0.000 2.308 237 A HA 0.047 4.378 4.320 0.019 0.000 0.217 237 A C 1.746 179.332 177.584 0.003 0.000 1.216 237 A CA -0.055 52.079 52.037 0.163 0.000 0.864 237 A CB -0.069 18.896 19.000 -0.058 0.000 0.902 237 A HN 0.077 nan 8.150 nan 0.000 0.499 238 E N 0.151 120.350 120.200 -0.001 0.000 2.085 238 E HA -0.180 4.182 4.350 0.019 0.000 0.194 238 E C 2.081 178.579 176.600 -0.169 0.000 0.994 238 E CA 1.085 57.465 56.400 -0.034 0.000 0.801 238 E CB -0.259 29.463 29.700 0.037 0.000 0.743 238 E HN 0.602 nan 8.360 nan 0.000 0.453 239 G N 1.711 110.227 108.800 -0.473 0.000 2.433 239 G HA2 -0.267 3.704 3.960 0.019 0.000 0.216 239 G HA3 -0.267 3.704 3.960 0.019 0.000 0.216 239 G C 1.576 176.048 174.900 -0.713 0.000 1.186 239 G CA 0.786 45.183 45.100 -1.172 0.000 0.779 239 G HN 0.176 nan 8.290 nan 0.000 0.543 240 L N 0.821 121.612 121.223 -0.720 0.000 2.012 240 L HA -0.015 4.336 4.340 0.019 0.000 0.210 240 L C 2.808 179.528 176.870 -0.249 0.000 1.073 240 L CA 1.840 56.199 54.840 -0.803 0.000 0.748 240 L CB -0.609 41.105 42.059 -0.575 0.000 0.891 240 L HN 0.170 nan 8.230 nan 0.000 0.431 241 R N -0.458 119.983 120.500 -0.100 0.000 2.152 241 R HA -0.052 4.300 4.340 0.019 0.000 0.232 241 R C 2.215 178.553 176.300 0.063 0.000 1.117 241 R CA 0.970 57.093 56.100 0.037 0.000 0.981 241 R CB -0.578 29.745 30.300 0.038 0.000 0.870 241 R HN 0.560 nan 8.270 nan 0.000 0.451 242 A N 0.697 123.556 122.820 0.063 0.000 1.898 242 A HA -0.125 4.206 4.320 0.019 0.000 0.216 242 A C 1.777 179.466 177.584 0.175 0.000 1.181 242 A CA 1.046 53.155 52.037 0.120 0.000 0.620 242 A CB -0.449 18.654 19.000 0.171 0.000 0.819 242 A HN 0.164 nan 8.150 nan 0.000 0.442 243 F N 0.195 120.182 119.950 0.062 0.000 2.146 243 F HA -0.027 4.511 4.527 0.020 0.000 0.298 243 F C 2.777 178.711 175.800 0.224 0.000 1.096 243 F CA 0.926 59.061 58.000 0.226 0.000 1.275 243 F CB -0.586 38.537 39.000 0.206 0.000 1.008 243 F HN 0.241 nan 8.300 nan 0.000 0.480 244 A N -0.342 122.639 122.820 0.269 0.000 2.070 244 A HA -0.032 4.299 4.320 0.019 0.000 0.220 244 A C 2.294 179.926 177.584 0.079 0.000 1.159 244 A CA 1.563 53.684 52.037 0.141 0.000 0.656 244 A CB -1.116 17.919 19.000 0.059 0.000 0.800 244 A HN 0.306 nan 8.150 nan 0.000 0.453 245 A N -1.356 121.512 122.820 0.081 0.000 2.021 245 A HA 0.120 4.452 4.320 0.019 0.000 0.216 245 A C 2.092 179.683 177.584 0.012 0.000 1.163 245 A CA 1.370 53.425 52.037 0.030 0.000 0.676 245 A CB -0.247 18.767 19.000 0.024 0.000 0.818 245 A HN 0.432 nan 8.150 nan 0.000 0.453 246 M N -0.639 118.974 119.600 0.021 0.000 2.429 246 M HA 0.143 4.634 4.480 0.019 0.000 0.265 246 M C 0.304 176.525 176.300 -0.130 0.000 1.120 246 M CA 0.640 55.888 55.300 -0.086 0.000 1.173 246 M CB -0.881 31.607 32.600 -0.187 0.000 1.343 246 M HN 0.345 nan 8.290 nan 0.000 0.464 247 H N 1.106 120.200 119.070 0.041 0.000 2.562 247 H HA 0.178 4.746 4.556 0.019 0.000 0.352 247 H C 0.607 175.968 175.328 0.055 0.000 1.125 247 H CA 0.340 56.436 56.048 0.080 0.000 1.379 247 H CB 1.580 31.454 29.762 0.186 0.000 1.464 247 H HN 0.123 nan 8.280 nan 0.000 0.563 248 K N 1.126 121.628 120.400 0.168 0.000 2.284 248 K HA 0.072 4.403 4.320 0.019 0.000 0.198 248 K C -0.017 176.661 176.600 0.130 0.000 1.048 248 K CA 0.666 57.016 56.287 0.104 0.000 0.987 248 K CB 0.613 33.156 32.500 0.072 0.000 0.800 248 K HN 0.622 nan 8.250 nan 0.000 0.486 249 E N 0.818 121.140 120.200 0.202 0.000 2.317 249 E HA 0.485 4.847 4.350 0.019 0.000 0.270 249 E C -1.216 175.518 176.600 0.224 0.000 0.885 249 E CA -0.866 55.648 56.400 0.191 0.000 0.760 249 E CB 2.175 31.989 29.700 0.191 0.000 1.227 249 E HN -0.052 nan 8.360 nan 0.000 0.434 250 L N -1.463 119.878 121.223 0.198 0.000 2.947 250 L HA 0.615 4.967 4.340 0.019 0.000 0.267 250 L C -1.869 175.135 176.870 0.223 0.000 1.004 250 L CA -0.738 54.235 54.840 0.222 0.000 0.937 250 L CB 1.004 43.205 42.059 0.236 0.000 1.496 250 L HN 0.577 nan 8.230 nan 0.000 0.409 251 I N 1.009 121.732 120.570 0.255 0.000 2.582 251 I HA 0.746 4.927 4.170 0.019 0.000 0.292 251 I C -1.113 175.170 176.117 0.277 0.000 1.066 251 I CA -1.108 60.335 61.300 0.239 0.000 1.053 251 I CB 2.307 40.446 38.000 0.232 0.000 1.241 251 I HN 0.436 nan 8.210 nan 0.000 0.421 252 V N 4.622 124.679 119.914 0.240 0.000 2.483 252 V HA 0.632 4.764 4.120 0.019 0.000 0.297 252 V C -0.028 176.172 176.094 0.176 0.000 1.027 252 V CA -0.598 61.844 62.300 0.236 0.000 0.855 252 V CB 1.675 33.601 31.823 0.171 0.000 0.995 252 V HN 0.812 nan 8.190 nan 0.000 0.424 253 A N 3.928 126.860 122.820 0.187 0.000 2.256 253 A HA 0.822 5.154 4.320 0.019 0.000 0.317 253 A C 0.238 177.883 177.584 0.101 0.000 1.318 253 A CA -0.326 51.796 52.037 0.140 0.000 0.894 253 A CB 0.679 19.774 19.000 0.159 0.000 1.165 253 A HN 0.997 nan 8.150 nan 0.000 0.525 254 S N 1.425 117.137 115.700 0.020 0.000 2.607 254 S HA 0.857 5.339 4.470 0.019 0.000 0.303 254 S C -0.170 174.328 174.600 -0.170 0.000 1.086 254 S CA -0.532 57.615 58.200 -0.088 0.000 0.995 254 S CB 1.778 64.831 63.200 -0.246 0.000 1.084 254 S HN 1.170 nan 8.310 nan 0.000 0.507 255 S N -0.138 115.400 115.700 -0.270 0.000 2.548 255 S HA 0.611 5.092 4.470 0.019 0.000 0.286 255 S C -1.391 172.990 174.600 -0.364 0.000 1.098 255 S CA -0.588 57.466 58.200 -0.244 0.000 0.930 255 S CB 0.847 63.952 63.200 -0.159 0.000 1.070 255 S HN 0.691 nan 8.310 nan 0.000 0.480 256 Y N 2.076 122.387 120.300 0.019 0.000 2.531 256 Y HA 0.303 4.867 4.550 0.023 0.000 0.249 256 Y C 2.234 178.155 175.900 0.035 0.000 1.168 256 Y CA -0.135 58.006 58.100 0.068 0.000 1.226 256 Y CB 0.155 38.579 38.460 -0.060 0.000 1.177 256 Y HN 0.603 nan 8.280 nan 0.000 0.527 257 S N 0.284 116.009 115.700 0.042 0.000 2.359 257 S HA -0.205 4.276 4.470 0.019 0.000 0.224 257 S C 1.817 176.191 174.600 -0.376 0.000 1.035 257 S CA 1.833 59.963 58.200 -0.117 0.000 1.018 257 S CB 0.013 63.210 63.200 -0.006 0.000 0.876 257 S HN 0.345 nan 8.310 nan 0.000 0.448 258 K N 1.754 122.074 120.400 -0.134 0.000 2.078 258 K HA 0.101 4.433 4.320 0.019 0.000 0.203 258 K C 1.612 178.385 176.600 0.289 0.000 1.043 258 K CA 1.053 57.326 56.287 -0.023 0.000 0.960 258 K CB -0.381 32.078 32.500 -0.068 0.000 0.761 258 K HN 0.394 nan 8.250 nan 0.000 0.448 259 N N -0.102 118.867 118.700 0.448 0.000 2.520 259 N HA -0.106 4.646 4.740 0.019 0.000 0.185 259 N C 0.661 176.344 175.510 0.288 0.000 1.068 259 N CA 1.064 54.361 53.050 0.412 0.000 0.911 259 N CB -0.233 38.484 38.487 0.384 0.000 0.961 259 N HN 0.127 nan 8.380 nan 0.000 0.446 260 F N -0.942 119.147 119.950 0.231 0.000 2.728 260 F HA 0.409 4.945 4.527 0.015 0.000 0.314 260 F C 1.526 177.339 175.800 0.021 0.000 1.094 260 F CA -0.003 58.092 58.000 0.158 0.000 1.217 260 F CB 0.543 39.535 39.000 -0.014 0.000 1.056 260 F HN 0.138 nan 8.300 nan 0.000 0.577 261 G N 1.577 110.384 108.800 0.010 0.000 2.249 261 G HA2 -0.307 3.664 3.960 0.019 0.000 0.273 261 G HA3 -0.307 3.664 3.960 0.019 0.000 0.273 261 G C 0.392 175.186 174.900 -0.176 0.000 1.036 261 G CA 0.321 45.299 45.100 -0.203 0.000 0.824 261 G HN 0.394 nan 8.290 nan 0.000 0.504 262 L N -0.286 120.823 121.223 -0.190 0.000 2.984 262 L HA 0.301 4.652 4.340 0.019 0.000 0.246 262 L C 2.081 178.940 176.870 -0.017 0.000 1.268 262 L CA -0.900 53.920 54.840 -0.033 0.000 1.054 262 L CB -0.362 41.699 42.059 0.004 0.000 1.393 262 L HN 0.297 nan 8.230 nan 0.000 0.532 263 Y N 0.910 121.281 120.300 0.120 0.000 1.997 263 Y HA -0.398 4.162 4.550 0.018 0.000 0.265 263 Y C 2.481 178.420 175.900 0.065 0.000 1.193 263 Y CA 2.103 60.258 58.100 0.090 0.000 1.106 263 Y CB -0.784 37.729 38.460 0.089 0.000 0.940 263 Y HN 0.562 nan 8.280 nan 0.000 0.494 264 N N -0.052 118.798 118.700 0.250 0.000 2.521 264 N HA -0.108 4.643 4.740 0.019 0.000 0.188 264 N C 0.742 176.303 175.510 0.086 0.000 1.146 264 N CA 0.974 54.107 53.050 0.139 0.000 0.893 264 N CB -0.385 38.171 38.487 0.115 0.000 0.975 264 N HN 0.418 nan 8.380 nan 0.000 0.451 265 E N 0.477 120.725 120.200 0.081 0.000 2.474 265 E HA 0.059 4.420 4.350 0.019 0.000 0.194 265 E C -0.248 176.355 176.600 0.005 0.000 1.041 265 E CA -0.053 56.376 56.400 0.049 0.000 0.874 265 E CB 0.125 29.863 29.700 0.063 0.000 0.914 265 E HN 0.167 nan 8.360 nan 0.000 0.498 266 R N -0.136 120.375 120.500 0.017 0.000 2.873 266 R HA -0.115 4.237 4.340 0.019 0.000 0.281 266 R C -0.870 175.409 176.300 -0.035 0.000 0.933 266 R CA 0.198 56.293 56.100 -0.008 0.000 0.712 266 R CB -3.005 27.269 30.300 -0.044 0.000 1.780 266 R HN -0.083 nan 8.270 nan 0.000 0.488 267 V N 0.745 120.665 119.914 0.010 0.000 2.350 267 V HA 0.880 5.011 4.120 0.019 0.000 0.285 267 V C 1.065 177.276 176.094 0.196 0.000 1.014 267 V CA 0.053 62.379 62.300 0.043 0.000 0.831 267 V CB 2.080 33.917 31.823 0.024 0.000 1.000 267 V HN 0.741 nan 8.190 nan 0.000 0.433 268 G N 2.872 111.795 108.800 0.206 0.000 2.721 268 G HA2 0.928 4.900 3.960 0.019 0.000 0.296 268 G HA3 0.928 4.900 3.960 0.019 0.000 0.296 268 G C -1.445 173.644 174.900 0.315 0.000 1.383 268 G CA -0.165 45.062 45.100 0.211 0.000 0.788 268 G HN 1.145 nan 8.290 nan 0.000 0.500 269 A N -1.662 121.284 122.820 0.209 0.000 2.574 269 A HA 0.631 4.962 4.320 0.019 0.000 0.297 269 A C -1.268 176.405 177.584 0.149 0.000 1.062 269 A CA -0.330 51.852 52.037 0.242 0.000 0.686 269 A CB 1.420 20.574 19.000 0.258 0.000 1.285 269 A HN 1.787 nan 8.150 nan 0.000 0.403 270 C N 1.876 121.281 119.300 0.175 0.000 2.293 270 C HA 0.786 5.257 4.460 0.019 0.000 0.323 270 C C 0.056 175.142 174.990 0.160 0.000 1.240 270 C CA 0.068 59.180 59.018 0.157 0.000 1.497 270 C CB -0.442 27.392 27.740 0.157 0.000 2.171 270 C HN 0.808 nan 8.230 nan 0.000 0.465 271 T N 6.435 121.068 114.554 0.132 0.000 2.794 271 T HA 0.532 4.893 4.350 0.019 0.000 0.280 271 T C -0.690 174.086 174.700 0.127 0.000 0.987 271 T CA -0.220 61.953 62.100 0.121 0.000 0.993 271 T CB 1.188 70.137 68.868 0.134 0.000 0.939 271 T HN 0.575 nan 8.240 nan 0.000 0.449 272 L N 4.803 126.068 121.223 0.070 0.000 2.329 272 L HA 0.741 5.092 4.340 0.019 0.000 0.279 272 L C -1.022 175.867 176.870 0.032 0.000 1.014 272 L CA -0.509 54.366 54.840 0.057 0.000 0.814 272 L CB 1.634 43.707 42.059 0.023 0.000 1.257 272 L HN 0.425 nan 8.230 nan 0.000 0.424 273 V N 4.337 124.289 119.914 0.063 0.000 2.540 273 V HA 0.943 5.075 4.120 0.019 0.000 0.302 273 V C -0.083 176.043 176.094 0.054 0.000 1.035 273 V CA -0.250 62.059 62.300 0.016 0.000 0.873 273 V CB 1.277 33.091 31.823 -0.015 0.000 0.992 273 V HN 0.981 nan 8.190 nan 0.000 0.428 274 A N 3.007 125.845 122.820 0.030 0.000 2.483 274 A HA 0.918 5.250 4.320 0.019 0.000 0.286 274 A C 1.088 178.693 177.584 0.034 0.000 1.207 274 A CA 0.069 52.142 52.037 0.059 0.000 0.764 274 A CB 1.288 20.329 19.000 0.070 0.000 1.341 274 A HN 1.201 nan 8.150 nan 0.000 0.428 275 A N -0.471 122.376 122.820 0.045 0.000 1.940 275 A HA 0.218 4.550 4.320 0.019 0.000 0.219 275 A C 0.566 178.157 177.584 0.010 0.000 1.176 275 A CA 2.414 54.468 52.037 0.029 0.000 0.631 275 A CB -0.766 18.256 19.000 0.035 0.000 0.814 275 A HN 1.087 nan 8.150 nan 0.000 0.446 276 D N -4.575 115.833 120.400 0.013 0.000 2.643 276 D HA 0.362 5.013 4.640 0.019 0.000 0.283 276 D C 0.630 176.932 176.300 0.002 0.000 1.242 276 D CA 0.084 54.085 54.000 0.002 0.000 0.863 276 D CB 0.294 41.098 40.800 0.007 0.000 1.382 276 D HN -0.011 nan 8.370 nan 0.000 0.444 277 S N -0.158 115.539 115.700 -0.005 0.000 2.383 277 S HA -0.290 4.192 4.470 0.019 0.000 0.229 277 S C 1.600 176.207 174.600 0.013 0.000 1.030 277 S CA 1.610 59.806 58.200 -0.006 0.000 1.002 277 S CB -0.739 62.454 63.200 -0.011 0.000 0.829 277 S HN 0.729 nan 8.310 nan 0.000 0.467 278 E N 1.731 121.944 120.200 0.021 0.000 2.107 278 E HA -0.083 4.278 4.350 0.019 0.000 0.191 278 E C 1.788 178.417 176.600 0.049 0.000 0.982 278 E CA 1.732 58.151 56.400 0.033 0.000 0.809 278 E CB -1.168 28.549 29.700 0.029 0.000 0.756 278 E HN 0.486 nan 8.360 nan 0.000 0.459 279 T N 0.293 114.877 114.554 0.049 0.000 2.770 279 T HA -0.090 4.271 4.350 0.019 0.000 0.263 279 T C 1.912 176.665 174.700 0.088 0.000 1.039 279 T CA 1.124 63.265 62.100 0.069 0.000 1.142 279 T CB -0.467 68.439 68.868 0.065 0.000 0.868 279 T HN 0.117 nan 8.240 nan 0.000 0.435 280 V N 1.975 121.928 119.914 0.065 0.000 2.343 280 V HA -0.201 3.931 4.120 0.019 0.000 0.247 280 V C 2.010 178.165 176.094 0.103 0.000 1.051 280 V CA 2.113 64.452 62.300 0.065 0.000 1.036 280 V CB -0.596 31.225 31.823 -0.004 0.000 0.654 280 V HN 0.365 nan 8.190 nan 0.000 0.451 281 D N -0.484 119.966 120.400 0.083 0.000 2.117 281 D HA -0.185 4.467 4.640 0.019 0.000 0.197 281 D C 2.265 178.666 176.300 0.168 0.000 0.987 281 D CA 1.624 55.700 54.000 0.128 0.000 0.829 281 D CB -0.271 40.578 40.800 0.081 0.000 0.961 281 D HN 0.426 nan 8.370 nan 0.000 0.460 282 R N 0.414 120.993 120.500 0.131 0.000 2.073 282 R HA -0.054 4.298 4.340 0.019 0.000 0.234 282 R C 2.067 178.469 176.300 0.171 0.000 1.134 282 R CA 1.550 57.726 56.100 0.127 0.000 0.952 282 R CB -0.236 30.124 30.300 0.101 0.000 0.850 282 R HN 0.126 nan 8.270 nan 0.000 0.433 283 A N -0.034 122.911 122.820 0.208 0.000 1.933 283 A HA -0.169 4.163 4.320 0.019 0.000 0.218 283 A C 2.094 179.849 177.584 0.286 0.000 1.175 283 A CA 1.236 53.456 52.037 0.306 0.000 0.628 283 A CB -0.812 18.389 19.000 0.335 0.000 0.814 283 A HN 0.549 nan 8.150 nan 0.000 0.444 284 F N 1.568 121.538 119.950 0.034 0.000 2.216 284 F HA -0.208 4.330 4.527 0.018 0.000 0.300 284 F C 2.753 178.559 175.800 0.011 0.000 1.085 284 F CA 1.606 59.583 58.000 -0.037 0.000 1.326 284 F CB 0.054 39.039 39.000 -0.026 0.000 1.027 284 F HN 0.376 nan 8.300 nan 0.000 0.497 285 S N -0.540 115.209 115.700 0.081 0.000 2.399 285 S HA -0.228 4.254 4.470 0.019 0.000 0.231 285 S C 1.798 176.378 174.600 -0.034 0.000 1.022 285 S CA 1.032 59.224 58.200 -0.013 0.000 0.983 285 S CB -0.491 62.740 63.200 0.053 0.000 0.803 285 S HN 0.467 nan 8.310 nan 0.000 0.480 286 Q N 0.274 120.120 119.800 0.077 0.000 2.311 286 Q HA 0.174 4.525 4.340 0.019 0.000 0.203 286 Q C 2.033 178.126 176.000 0.155 0.000 0.954 286 Q CA 0.944 56.834 55.803 0.145 0.000 0.885 286 Q CB -0.329 28.567 28.738 0.264 0.000 0.963 286 Q HN 0.757 nan 8.270 nan 0.000 0.471 287 M N 0.522 120.117 119.600 -0.009 0.000 2.156 287 M HA -0.132 4.359 4.480 0.019 0.000 0.264 287 M C 1.717 177.861 176.300 -0.260 0.000 1.067 287 M CA 1.452 56.644 55.300 -0.179 0.000 1.131 287 M CB 0.144 32.441 32.600 -0.505 0.000 1.368 287 M HN -0.074 nan 8.290 nan 0.000 0.416 288 K N 0.222 120.371 120.400 -0.418 0.000 2.147 288 K HA -0.085 4.246 4.320 0.019 0.000 0.205 288 K C 1.973 178.455 176.600 -0.197 0.000 1.049 288 K CA 1.303 57.380 56.287 -0.350 0.000 0.936 288 K CB -0.276 32.001 32.500 -0.372 0.000 0.722 288 K HN 0.457 nan 8.250 nan 0.000 0.446 289 A N 1.549 124.293 122.820 -0.126 0.000 1.933 289 A HA -0.098 4.233 4.320 0.019 0.000 0.218 289 A C 2.355 179.893 177.584 -0.077 0.000 1.175 289 A CA 1.744 53.733 52.037 -0.079 0.000 0.628 289 A CB -0.520 18.461 19.000 -0.032 0.000 0.814 289 A HN 0.324 nan 8.150 nan 0.000 0.444 290 A N -0.125 122.665 122.820 -0.050 0.000 1.930 290 A HA -0.040 4.292 4.320 0.019 0.000 0.217 290 A C 2.092 179.602 177.584 -0.124 0.000 1.175 290 A CA 1.462 53.478 52.037 -0.035 0.000 0.627 290 A CB -0.528 18.505 19.000 0.055 0.000 0.815 290 A HN 0.493 nan 8.150 nan 0.000 0.443 291 I N -1.163 119.286 120.570 -0.202 0.000 2.353 291 I HA -0.198 3.984 4.170 0.019 0.000 0.248 291 I C 2.655 178.509 176.117 -0.438 0.000 1.119 291 I CA 1.266 62.321 61.300 -0.409 0.000 1.417 291 I CB -0.305 37.464 38.000 -0.385 0.000 1.078 291 I HN 0.359 nan 8.210 nan 0.000 0.421 292 R N 1.139 121.478 120.500 -0.268 0.000 2.103 292 R HA -0.169 4.183 4.340 0.019 0.000 0.242 292 R C 1.873 178.069 176.300 -0.173 0.000 1.142 292 R CA 2.083 58.060 56.100 -0.205 0.000 0.960 292 R CB -0.130 30.084 30.300 -0.142 0.000 0.858 292 R HN 0.409 nan 8.270 nan 0.000 0.439 293 V N -0.894 118.933 119.914 -0.144 0.000 3.577 293 V HA 0.142 4.273 4.120 0.019 0.000 0.294 293 V C 0.836 176.873 176.094 -0.095 0.000 1.317 293 V CA 0.453 62.695 62.300 -0.097 0.000 1.169 293 V CB -0.020 31.766 31.823 -0.063 0.000 1.011 293 V HN 0.239 nan 8.190 nan 0.000 0.426 294 N N 1.712 120.313 118.700 -0.165 0.000 2.831 294 N HA 0.119 4.871 4.740 0.019 0.000 0.233 294 N C 1.271 176.751 175.510 -0.050 0.000 1.031 294 N CA 1.488 54.471 53.050 -0.111 0.000 1.198 294 N CB 0.211 38.610 38.487 -0.147 0.000 1.595 294 N HN 0.607 nan 8.380 nan 0.000 0.588 295 Y N -1.301 118.995 120.300 -0.006 0.000 2.588 295 Y HA 0.590 5.152 4.550 0.021 0.000 0.247 295 Y C 1.262 177.159 175.900 -0.005 0.000 1.157 295 Y CA 0.310 58.409 58.100 -0.001 0.000 1.215 295 Y CB -0.040 38.422 38.460 0.004 0.000 1.245 295 Y HN 0.144 nan 8.280 nan 0.000 0.534 296 S N 0.756 116.319 115.700 -0.229 0.000 3.686 296 S HA -0.266 4.215 4.470 0.019 0.000 0.247 296 S C 0.411 174.958 174.600 -0.088 0.000 1.674 296 S CA 1.872 59.983 58.200 -0.149 0.000 3.746 296 S CB -1.836 61.322 63.200 -0.069 0.000 0.692 296 S HN 1.230 nan 8.310 nan 0.000 0.466 297 S N 2.596 118.374 115.700 0.131 0.000 2.564 297 S HA 0.801 5.282 4.470 0.019 0.000 0.274 297 S C -3.190 171.618 174.600 0.348 0.000 1.124 297 S CA -0.944 57.375 58.200 0.198 0.000 0.869 297 S CB 2.537 65.819 63.200 0.136 0.000 1.105 297 S HN 0.646 nan 8.310 nan 0.000 0.472 298 P HA 0.395 nan 4.420 nan 0.000 0.276 298 P C -2.754 174.535 177.300 -0.019 0.000 1.244 298 P CA -1.603 61.529 63.100 0.054 0.000 0.801 298 P CB -0.540 31.164 31.700 0.006 0.000 1.006 299 P HA 0.105 nan 4.420 nan 0.000 0.276 299 P C 0.466 177.710 177.300 -0.094 0.000 1.253 299 P CA -0.027 63.031 63.100 -0.070 0.000 0.766 299 P CB 0.735 32.387 31.700 -0.081 0.000 0.845 300 A N 3.604 126.388 122.820 -0.059 0.000 1.873 300 A HA -0.227 4.105 4.320 0.019 0.000 0.215 300 A C 2.150 179.683 177.584 -0.085 0.000 1.186 300 A CA 1.712 53.700 52.037 -0.081 0.000 0.616 300 A CB -1.659 17.315 19.000 -0.042 0.000 0.823 300 A HN 0.652 nan 8.150 nan 0.000 0.442 301 H N -0.222 118.783 119.070 -0.109 0.000 2.255 301 H HA -0.160 4.395 4.556 -0.001 0.000 0.290 301 H C 2.240 177.493 175.328 -0.124 0.000 1.087 301 H CA 2.561 58.551 56.048 -0.097 0.000 1.213 301 H CB -0.732 28.987 29.762 -0.071 0.000 1.349 301 H HN 0.350 nan 8.280 nan 0.000 0.487 302 G N -0.463 108.244 108.800 -0.155 0.000 2.446 302 G HA2 -0.274 3.697 3.960 0.019 0.000 0.217 302 G HA3 -0.274 3.697 3.960 0.019 0.000 0.217 302 G C 1.913 176.607 174.900 -0.343 0.000 1.168 302 G CA 1.336 46.296 45.100 -0.233 0.000 0.771 302 G HN 0.659 nan 8.290 nan 0.000 0.551 303 A N 0.282 122.867 122.820 -0.391 0.000 1.972 303 A HA 0.024 4.356 4.320 0.019 0.000 0.219 303 A C 2.612 179.974 177.584 -0.369 0.000 1.169 303 A CA 2.225 53.916 52.037 -0.575 0.000 0.635 303 A CB -0.688 17.722 19.000 -0.983 0.000 0.810 303 A HN 0.416 nan 8.150 nan 0.000 0.446 304 S N -0.765 114.751 115.700 -0.306 0.000 2.402 304 S HA -0.098 4.384 4.470 0.019 0.000 0.229 304 S C 1.868 176.324 174.600 -0.239 0.000 1.021 304 S CA 1.403 59.474 58.200 -0.215 0.000 0.974 304 S CB -0.405 62.694 63.200 -0.167 0.000 0.800 304 S HN 0.293 nan 8.310 nan 0.000 0.484 305 V N 1.258 120.967 119.914 -0.341 0.000 2.307 305 V HA -0.112 4.019 4.120 0.019 0.000 0.245 305 V C 2.429 178.301 176.094 -0.369 0.000 1.045 305 V CA 1.747 63.855 62.300 -0.321 0.000 1.024 305 V CB -0.622 30.991 31.823 -0.351 0.000 0.651 305 V HN 0.403 nan 8.190 nan 0.000 0.449 306 V N 0.324 119.911 119.914 -0.546 0.000 2.295 306 V HA -0.272 3.860 4.120 0.019 0.000 0.246 306 V C 2.702 178.472 176.094 -0.539 0.000 1.049 306 V CA 2.098 63.873 62.300 -0.875 0.000 1.024 306 V CB -1.162 29.974 31.823 -1.144 0.000 0.648 306 V HN 0.564 nan 8.190 nan 0.000 0.447 307 A N -0.339 122.307 122.820 -0.289 0.000 1.902 307 A HA -0.229 4.102 4.320 0.019 0.000 0.217 307 A C 2.402 179.880 177.584 -0.176 0.000 1.181 307 A CA 2.528 54.458 52.037 -0.178 0.000 0.623 307 A CB -1.002 17.966 19.000 -0.054 0.000 0.818 307 A HN 0.507 nan 8.150 nan 0.000 0.443 308 T N 0.350 114.802 114.554 -0.170 0.000 2.708 308 T HA -0.114 4.248 4.350 0.019 0.000 0.266 308 T C 1.817 176.409 174.700 -0.179 0.000 1.037 308 T CA 1.583 63.584 62.100 -0.164 0.000 1.146 308 T CB -0.409 68.383 68.868 -0.127 0.000 0.865 308 T HN 0.421 nan 8.240 nan 0.000 0.435 309 I N 0.701 121.165 120.570 -0.177 0.000 2.142 309 I HA -0.128 4.054 4.170 0.019 0.000 0.240 309 I C 2.252 178.302 176.117 -0.112 0.000 1.078 309 I CA 1.291 62.519 61.300 -0.120 0.000 1.343 309 I CB -0.376 37.578 38.000 -0.075 0.000 1.046 309 I HN 0.185 nan 8.210 nan 0.000 0.405 310 L N 0.343 121.457 121.223 -0.182 0.000 2.191 310 L HA -0.158 4.193 4.340 0.019 0.000 0.212 310 L C 2.444 179.257 176.870 -0.094 0.000 1.103 310 L CA 1.435 56.191 54.840 -0.141 0.000 0.769 310 L CB -0.562 41.365 42.059 -0.220 0.000 0.908 310 L HN 0.382 nan 8.230 nan 0.000 0.438 311 S N -2.159 113.475 115.700 -0.111 0.000 2.535 311 S HA 0.012 4.494 4.470 0.019 0.000 0.214 311 S C 0.790 175.339 174.600 -0.085 0.000 0.980 311 S CA -0.407 57.740 58.200 -0.089 0.000 0.907 311 S CB -0.167 62.978 63.200 -0.091 0.000 0.790 311 S HN 0.347 nan 8.310 nan 0.000 0.510 312 N N 1.392 120.035 118.700 -0.095 0.000 2.444 312 N HA 0.223 4.974 4.740 0.019 0.000 0.262 312 N C -0.709 174.771 175.510 -0.049 0.000 0.974 312 N CA -0.055 52.937 53.050 -0.095 0.000 0.933 312 N CB 1.715 40.111 38.487 -0.151 0.000 1.137 312 N HN -0.049 nan 8.380 nan 0.000 0.498 313 D N 2.800 123.178 120.400 -0.036 0.000 2.133 313 D HA -0.166 4.485 4.640 0.019 0.000 0.195 313 D C 1.719 178.016 176.300 -0.006 0.000 0.997 313 D CA 2.014 56.005 54.000 -0.014 0.000 0.840 313 D CB 0.174 40.965 40.800 -0.016 0.000 0.947 313 D HN 0.692 nan 8.370 nan 0.000 0.452 314 A N 0.281 123.091 122.820 -0.018 0.000 1.858 314 A HA -0.120 4.211 4.320 0.019 0.000 0.216 314 A C 2.233 179.820 177.584 0.005 0.000 1.190 314 A CA 1.007 53.038 52.037 -0.010 0.000 0.617 314 A CB -0.860 18.128 19.000 -0.019 0.000 0.827 314 A HN 0.202 nan 8.150 nan 0.000 0.443 315 L N -1.185 120.037 121.223 -0.003 0.000 2.083 315 L HA -0.166 4.186 4.340 0.019 0.000 0.209 315 L C 2.819 179.746 176.870 0.095 0.000 1.083 315 L CA 1.615 56.471 54.840 0.026 0.000 0.752 315 L CB -0.489 41.561 42.059 -0.014 0.000 0.899 315 L HN 0.456 nan 8.230 nan 0.000 0.433 316 R N 0.298 120.853 120.500 0.093 0.000 2.081 316 R HA -0.174 4.177 4.340 0.019 0.000 0.235 316 R C 2.344 178.754 176.300 0.183 0.000 1.131 316 R CA 1.409 57.628 56.100 0.199 0.000 0.960 316 R CB -0.181 30.199 30.300 0.133 0.000 0.856 316 R HN 0.346 nan 8.270 nan 0.000 0.436 317 A N 0.933 123.797 122.820 0.073 0.000 1.902 317 A HA -0.136 4.195 4.320 0.019 0.000 0.217 317 A C 2.120 179.696 177.584 -0.013 0.000 1.181 317 A CA 1.296 53.340 52.037 0.012 0.000 0.623 317 A CB -0.430 18.568 19.000 -0.004 0.000 0.818 317 A HN 0.332 nan 8.150 nan 0.000 0.443 318 I N -2.333 118.250 120.570 0.021 0.000 2.202 318 I HA -0.252 3.929 4.170 0.019 0.000 0.242 318 I C 2.420 178.533 176.117 -0.008 0.000 1.091 318 I CA 1.580 62.883 61.300 0.005 0.000 1.368 318 I CB -0.362 37.657 38.000 0.032 0.000 1.058 318 I HN 0.740 nan 8.210 nan 0.000 0.410 319 W N 2.258 123.488 121.300 -0.116 0.000 2.335 319 W HA -0.276 4.396 4.660 0.019 0.000 0.311 319 W C 2.425 178.799 176.519 -0.242 0.000 1.213 319 W CA 1.975 59.204 57.345 -0.194 0.000 1.274 319 W CB -0.412 28.914 29.460 -0.223 0.000 1.148 319 W HN 0.130 nan 8.180 nan 0.000 0.498 320 E N -0.249 119.589 120.200 -0.604 0.000 2.160 320 E HA -0.344 4.017 4.350 0.019 0.000 0.195 320 E C 2.148 178.394 176.600 -0.590 0.000 0.991 320 E CA 1.767 57.651 56.400 -0.861 0.000 0.810 320 E CB -0.276 29.157 29.700 -0.444 0.000 0.742 320 E HN 0.313 nan 8.360 nan 0.000 0.466 321 Q N 0.853 120.435 119.800 -0.363 0.000 2.123 321 Q HA -0.142 4.210 4.340 0.019 0.000 0.199 321 Q C 1.578 177.403 176.000 -0.292 0.000 0.966 321 Q CA 1.798 57.442 55.803 -0.266 0.000 0.845 321 Q CB 0.052 28.695 28.738 -0.159 0.000 0.907 321 Q HN 0.369 nan 8.270 nan 0.000 0.439 322 E N 0.063 120.076 120.200 -0.313 0.000 2.110 322 E HA -0.168 4.194 4.350 0.019 0.000 0.193 322 E C 1.972 178.328 176.600 -0.408 0.000 0.988 322 E CA 0.947 57.179 56.400 -0.279 0.000 0.804 322 E CB -0.222 29.362 29.700 -0.193 0.000 0.745 322 E HN 0.371 nan 8.360 nan 0.000 0.458 323 L N 0.989 121.832 121.223 -0.633 0.000 2.017 323 L HA -0.174 4.178 4.340 0.019 0.000 0.208 323 L C 2.280 178.808 176.870 -0.570 0.000 1.073 323 L CA 1.438 55.843 54.840 -0.726 0.000 0.745 323 L CB -0.414 41.035 42.059 -1.016 0.000 0.894 323 L HN 0.186 nan 8.230 nan 0.000 0.432 324 T N -0.423 113.854 114.554 -0.462 0.000 2.720 324 T HA -0.191 4.170 4.350 0.019 0.000 0.268 324 T C 1.390 175.950 174.700 -0.232 0.000 1.037 324 T CA 1.606 63.517 62.100 -0.316 0.000 1.144 324 T CB -0.266 68.452 68.868 -0.250 0.000 0.864 324 T HN 0.388 nan 8.240 nan 0.000 0.444 325 D N 0.853 121.125 120.400 -0.214 0.000 2.144 325 D HA -0.019 4.633 4.640 0.019 0.000 0.199 325 D C 2.086 178.319 176.300 -0.113 0.000 0.984 325 D CA 0.943 54.867 54.000 -0.127 0.000 0.834 325 D CB -0.269 40.473 40.800 -0.097 0.000 0.955 325 D HN 0.391 nan 8.370 nan 0.000 0.465 326 M N -0.051 119.395 119.600 -0.256 0.000 2.099 326 M HA -0.119 4.373 4.480 0.019 0.000 0.262 326 M C 2.373 178.633 176.300 -0.066 0.000 1.067 326 M CA 1.065 56.158 55.300 -0.345 0.000 1.124 326 M CB -0.152 32.013 32.600 -0.726 0.000 1.353 326 M HN -0.094 nan 8.290 nan 0.000 0.410 327 R N 0.491 120.894 120.500 -0.162 0.000 2.081 327 R HA -0.185 4.166 4.340 0.019 0.000 0.235 327 R C 2.039 178.354 176.300 0.026 0.000 1.131 327 R CA 1.764 57.840 56.100 -0.041 0.000 0.960 327 R CB -0.110 30.091 30.300 -0.165 0.000 0.856 327 R HN 0.466 nan 8.270 nan 0.000 0.436 328 Q N -0.451 119.340 119.800 -0.014 0.000 2.119 328 Q HA -0.148 4.204 4.340 0.019 0.000 0.201 328 Q C 2.209 178.241 176.000 0.054 0.000 0.972 328 Q CA 1.275 57.085 55.803 0.012 0.000 0.847 328 Q CB -0.078 28.650 28.738 -0.016 0.000 0.903 328 Q HN 0.292 nan 8.270 nan 0.000 0.433 329 R N 0.656 121.212 120.500 0.093 0.000 2.092 329 R HA -0.092 4.259 4.340 0.019 0.000 0.231 329 R C 2.059 178.435 176.300 0.126 0.000 1.119 329 R CA 0.936 57.111 56.100 0.125 0.000 0.970 329 R CB -0.067 30.358 30.300 0.207 0.000 0.864 329 R HN 0.253 nan 8.270 nan 0.000 0.440 330 I N 0.613 121.286 120.570 0.172 0.000 2.252 330 I HA -0.280 3.901 4.170 0.019 0.000 0.245 330 I C 2.316 178.488 176.117 0.091 0.000 1.102 330 I CA 1.323 62.705 61.300 0.138 0.000 1.385 330 I CB -0.281 37.830 38.000 0.184 0.000 1.064 330 I HN 0.271 nan 8.210 nan 0.000 0.414 331 Q N 0.499 120.351 119.800 0.087 0.000 2.124 331 Q HA -0.196 4.156 4.340 0.019 0.000 0.202 331 Q C 2.381 178.417 176.000 0.060 0.000 0.977 331 Q CA 1.418 57.263 55.803 0.070 0.000 0.850 331 Q CB -0.122 28.650 28.738 0.057 0.000 0.901 331 Q HN 0.475 nan 8.270 nan 0.000 0.429 332 R N -0.318 120.214 120.500 0.054 0.000 2.075 332 R HA -0.034 4.318 4.340 0.019 0.000 0.232 332 R C 2.175 178.503 176.300 0.046 0.000 1.126 332 R CA 1.051 57.178 56.100 0.044 0.000 0.963 332 R CB -0.082 30.241 30.300 0.037 0.000 0.858 332 R HN 0.239 nan 8.270 nan 0.000 0.435 333 M N 0.134 119.760 119.600 0.044 0.000 2.229 333 M HA -0.101 4.391 4.480 0.019 0.000 0.264 333 M C 2.106 178.449 176.300 0.071 0.000 1.063 333 M CA 1.361 56.680 55.300 0.032 0.000 1.114 333 M CB -0.687 31.907 32.600 -0.010 0.000 1.387 333 M HN 0.100 nan 8.290 nan 0.000 0.420 334 R N 0.078 120.628 120.500 0.083 0.000 2.075 334 R HA -0.178 4.174 4.340 0.019 0.000 0.232 334 R C 2.191 178.566 176.300 0.126 0.000 1.126 334 R CA 1.564 57.742 56.100 0.129 0.000 0.963 334 R CB -0.080 30.282 30.300 0.103 0.000 0.858 334 R HN 0.465 nan 8.270 nan 0.000 0.435 335 Q N -0.005 119.843 119.800 0.079 0.000 2.187 335 Q HA -0.103 4.249 4.340 0.019 0.000 0.199 335 Q C 1.941 177.970 176.000 0.047 0.000 0.957 335 Q CA 0.727 56.560 55.803 0.049 0.000 0.857 335 Q CB 0.113 28.872 28.738 0.034 0.000 0.929 335 Q HN 0.288 nan 8.270 nan 0.000 0.453 336 L N 0.145 121.408 121.223 0.067 0.000 2.217 336 L HA -0.026 4.325 4.340 0.019 0.000 0.211 336 L C 1.773 178.707 176.870 0.107 0.000 1.107 336 L CA 1.417 56.294 54.840 0.062 0.000 0.783 336 L CB -0.533 41.556 42.059 0.051 0.000 0.919 336 L HN 0.348 nan 8.230 nan 0.000 0.442 337 F N -1.235 118.679 119.950 -0.060 0.000 2.084 337 F HA -0.222 4.317 4.527 0.020 0.000 0.296 337 F C 2.135 177.860 175.800 -0.124 0.000 1.111 337 F CA 1.599 59.543 58.000 -0.094 0.000 1.224 337 F CB 0.010 38.956 39.000 -0.091 0.000 0.991 337 F HN -0.101 nan 8.300 nan 0.000 0.471 338 V N 1.264 121.064 119.914 -0.190 0.000 2.287 338 V HA -0.361 3.771 4.120 0.019 0.000 0.248 338 V C 2.027 178.004 176.094 -0.194 0.000 1.053 338 V CA 2.185 64.304 62.300 -0.302 0.000 1.027 338 V CB -0.908 30.819 31.823 -0.161 0.000 0.646 338 V HN 0.407 nan 8.190 nan 0.000 0.447 339 N N 0.224 118.869 118.700 -0.093 0.000 2.084 339 N HA -0.146 4.605 4.740 0.019 0.000 0.190 339 N C 1.900 177.370 175.510 -0.068 0.000 1.030 339 N CA 2.080 55.094 53.050 -0.060 0.000 0.849 339 N CB -0.710 37.762 38.487 -0.025 0.000 1.012 339 N HN 0.471 nan 8.380 nan 0.000 0.423 340 T N 1.997 116.516 114.554 -0.058 0.000 2.833 340 T HA 0.023 4.384 4.350 0.019 0.000 0.269 340 T C 2.145 176.784 174.700 -0.103 0.000 1.054 340 T CA 0.472 62.543 62.100 -0.048 0.000 1.135 340 T CB -0.100 68.772 68.868 0.006 0.000 0.869 340 T HN 0.139 nan 8.240 nan 0.000 0.466 341 L N 1.073 122.170 121.223 -0.210 0.000 2.027 341 L HA -0.156 4.195 4.340 0.019 0.000 0.206 341 L C 3.048 179.815 176.870 -0.171 0.000 1.074 341 L CA 1.484 56.146 54.840 -0.298 0.000 0.745 341 L CB -0.582 41.096 42.059 -0.635 0.000 0.898 341 L HN 0.430 nan 8.230 nan 0.000 0.433 342 Q N -0.114 119.613 119.800 -0.123 0.000 2.172 342 Q HA -0.254 4.098 4.340 0.019 0.000 0.200 342 Q C 1.894 177.869 176.000 -0.042 0.000 0.964 342 Q CA 1.539 57.311 55.803 -0.052 0.000 0.855 342 Q CB -0.432 28.287 28.738 -0.032 0.000 0.918 342 Q HN 0.518 nan 8.270 nan 0.000 0.444 343 E N 1.481 121.652 120.200 -0.049 0.000 2.204 343 E HA -0.146 4.216 4.350 0.019 0.000 0.195 343 E C 0.977 177.559 176.600 -0.031 0.000 0.990 343 E CA 0.822 57.202 56.400 -0.033 0.000 0.821 343 E CB 0.194 29.876 29.700 -0.030 0.000 0.750 343 E HN 0.318 nan 8.360 nan 0.000 0.477 344 K N -0.810 119.563 120.400 -0.044 0.000 2.437 344 K HA 0.155 4.486 4.320 0.019 0.000 0.205 344 K C 0.141 176.720 176.600 -0.034 0.000 1.026 344 K CA 0.412 56.676 56.287 -0.039 0.000 1.153 344 K CB 1.055 33.526 32.500 -0.050 0.000 0.863 344 K HN 0.242 nan 8.250 nan 0.000 0.502 345 G N 1.362 110.146 108.800 -0.026 0.000 2.207 345 G HA2 -0.249 3.723 3.960 0.019 0.000 0.216 345 G HA3 -0.249 3.723 3.960 0.019 0.000 0.216 345 G C 0.082 174.980 174.900 -0.004 0.000 1.053 345 G CA -0.142 44.951 45.100 -0.011 0.000 0.764 345 G HN 0.390 nan 8.290 nan 0.000 0.495 346 A N 0.220 123.035 122.820 -0.008 0.000 2.561 346 A HA 0.406 4.737 4.320 0.019 0.000 0.251 346 A C 1.598 179.239 177.584 0.095 0.000 1.062 346 A CA 0.994 53.054 52.037 0.037 0.000 0.761 346 A CB 0.207 19.235 19.000 0.048 0.000 0.986 346 A HN 0.640 nan 8.150 nan 0.000 0.510 347 N N 2.219 120.992 118.700 0.121 0.000 2.069 347 N HA -0.154 4.598 4.740 0.019 0.000 0.191 347 N C 0.914 176.473 175.510 0.082 0.000 1.031 347 N CA 1.852 54.958 53.050 0.093 0.000 0.852 347 N CB -0.006 38.538 38.487 0.094 0.000 1.018 347 N HN 0.897 nan 8.380 nan 0.000 0.423 348 R N -0.593 119.976 120.500 0.115 0.000 3.076 348 R HA 0.381 4.732 4.340 0.019 0.000 0.239 348 R C -1.152 175.115 176.300 -0.054 0.000 1.392 348 R CA -0.786 55.301 56.100 -0.021 0.000 1.044 348 R CB -0.126 30.093 30.300 -0.135 0.000 1.389 348 R HN -0.193 nan 8.270 nan 0.000 0.498 349 D N -0.046 120.268 120.400 -0.143 0.000 2.317 349 D HA 0.159 4.810 4.640 0.019 0.000 0.252 349 D C -0.873 175.231 176.300 -0.326 0.000 1.174 349 D CA -0.322 53.613 54.000 -0.110 0.000 0.866 349 D CB 0.399 41.180 40.800 -0.031 0.000 1.127 349 D HN 0.443 nan 8.370 nan 0.000 0.467 350 F N 1.544 121.345 119.950 -0.249 0.000 2.708 350 F HA 0.091 4.630 4.527 0.019 0.000 0.300 350 F C 2.175 177.560 175.800 -0.693 0.000 1.118 350 F CA -0.278 57.336 58.000 -0.642 0.000 1.307 350 F CB 0.121 38.755 39.000 -0.610 0.000 0.986 350 F HN 0.365 nan 8.300 nan 0.000 0.522 351 S N -0.011 115.542 115.700 -0.246 0.000 2.447 351 S HA -0.244 4.237 4.470 0.019 0.000 0.233 351 S C 1.949 176.476 174.600 -0.123 0.000 1.006 351 S CA 0.930 59.047 58.200 -0.137 0.000 0.957 351 S CB -1.172 62.012 63.200 -0.027 0.000 0.773 351 S HN 0.500 nan 8.310 nan 0.000 0.507 352 F N 1.284 121.204 119.950 -0.051 0.000 2.408 352 F HA 0.270 4.808 4.527 0.019 0.000 0.300 352 F C 1.645 177.472 175.800 0.046 0.000 1.090 352 F CA -0.121 57.862 58.000 -0.028 0.000 1.427 352 F CB -0.811 38.077 39.000 -0.186 0.000 1.070 352 F HN 0.150 nan 8.300 nan 0.000 0.549 353 I N 0.488 120.820 120.570 -0.396 0.000 2.676 353 I HA -0.207 3.975 4.170 0.019 0.000 0.259 353 I C 2.116 178.262 176.117 0.048 0.000 1.194 353 I CA 0.474 61.711 61.300 -0.105 0.000 1.473 353 I CB -0.334 37.546 38.000 -0.200 0.000 1.096 353 I HN 0.162 nan 8.210 nan 0.000 0.443 354 I N 0.832 121.412 120.570 0.016 0.000 2.546 354 I HA -0.200 3.982 4.170 0.019 0.000 0.255 354 I C 2.078 178.250 176.117 0.091 0.000 1.163 354 I CA 1.483 62.815 61.300 0.053 0.000 1.457 354 I CB -0.914 37.103 38.000 0.030 0.000 1.092 354 I HN 0.239 nan 8.210 nan 0.000 0.434 355 K N 0.544 121.017 120.400 0.122 0.000 2.459 355 K HA 0.033 4.365 4.320 0.019 0.000 0.193 355 K C 0.467 177.166 176.600 0.166 0.000 1.030 355 K CA 0.040 56.410 56.287 0.138 0.000 1.026 355 K CB 0.118 32.708 32.500 0.150 0.000 0.809 355 K HN 0.447 nan 8.250 nan 0.000 0.504 356 Q N 1.807 121.721 119.800 0.190 0.000 2.261 356 Q HA 0.083 4.435 4.340 0.019 0.000 0.252 356 Q C -0.578 175.517 176.000 0.158 0.000 0.915 356 Q CA -0.529 55.396 55.803 0.203 0.000 0.915 356 Q CB 0.981 29.872 28.738 0.254 0.000 1.204 356 Q HN 0.203 nan 8.270 nan 0.000 0.421 357 N N 0.352 119.141 118.700 0.148 0.000 2.404 357 N HA 0.794 5.545 4.740 0.019 0.000 0.297 357 N C -0.011 175.548 175.510 0.081 0.000 1.163 357 N CA -0.023 53.101 53.050 0.124 0.000 0.864 357 N CB 1.703 40.274 38.487 0.138 0.000 1.247 357 N HN 0.717 nan 8.380 nan 0.000 0.510 358 G N -0.622 108.213 108.800 0.058 0.000 2.447 358 G HA2 -0.185 3.787 3.960 0.019 0.000 0.220 358 G HA3 -0.185 3.787 3.960 0.019 0.000 0.220 358 G C 0.112 174.903 174.900 -0.183 0.000 1.261 358 G CA -0.116 44.927 45.100 -0.095 0.000 1.000 358 G HN 0.572 nan 8.290 nan 0.000 0.515 359 M N -0.291 118.996 119.600 -0.522 0.000 2.476 359 M HA 0.309 4.801 4.480 0.019 0.000 0.262 359 M C 0.599 176.574 176.300 -0.540 0.000 1.111 359 M CA 0.912 55.860 55.300 -0.588 0.000 1.127 359 M CB 0.040 32.088 32.600 -0.921 0.000 1.376 359 M HN 0.261 nan 8.290 nan 0.000 0.465 360 F N -0.184 119.723 119.950 -0.072 0.000 2.410 360 F HA 0.438 4.977 4.527 0.020 0.000 0.324 360 F C 0.419 176.266 175.800 0.077 0.000 1.093 360 F CA -1.095 56.905 58.000 0.000 0.000 1.028 360 F CB 0.812 39.805 39.000 -0.011 0.000 1.309 360 F HN -0.301 nan 8.300 nan 0.000 0.499 361 S N 0.667 116.598 115.700 0.385 0.000 2.736 361 S HA 0.324 4.806 4.470 0.019 0.000 0.285 361 S C -1.534 173.327 174.600 0.434 0.000 1.163 361 S CA -0.451 57.968 58.200 0.364 0.000 1.025 361 S CB 0.680 64.077 63.200 0.327 0.000 1.030 361 S HN 0.391 nan 8.310 nan 0.000 0.486 362 F N 4.489 124.587 119.950 0.245 0.000 2.406 362 F HA 0.253 4.791 4.527 0.019 0.000 0.358 362 F C 1.648 177.657 175.800 0.349 0.000 1.161 362 F CA -1.146 56.965 58.000 0.184 0.000 1.185 362 F CB 0.091 39.100 39.000 0.015 0.000 1.421 362 F HN 0.652 nan 8.300 nan 0.000 0.576 363 S N 2.553 118.408 115.700 0.259 0.000 2.402 363 S HA 0.056 4.538 4.470 0.019 0.000 0.229 363 S C 1.802 176.573 174.600 0.286 0.000 1.021 363 S CA 0.839 59.258 58.200 0.364 0.000 0.974 363 S CB -0.607 62.781 63.200 0.314 0.000 0.800 363 S HN 1.382 nan 8.310 nan 0.000 0.484 364 G N 0.109 108.873 108.800 -0.060 0.000 2.159 364 G HA2 -0.160 3.811 3.960 0.019 0.000 0.227 364 G HA3 -0.160 3.811 3.960 0.019 0.000 0.227 364 G C -0.240 174.656 174.900 -0.007 0.000 0.986 364 G CA 0.020 45.077 45.100 -0.072 0.000 0.651 364 G HN 0.463 nan 8.290 nan 0.000 0.523 365 L N 2.105 123.341 121.223 0.020 0.000 2.417 365 L HA 0.579 4.930 4.340 0.019 0.000 0.268 365 L C 1.603 178.471 176.870 -0.003 0.000 1.158 365 L CA 0.636 55.502 54.840 0.044 0.000 0.819 365 L CB 0.867 42.966 42.059 0.066 0.000 1.112 365 L HN 0.448 nan 8.230 nan 0.000 0.458 366 T N -1.106 113.455 114.554 0.013 0.000 2.788 366 T HA 0.212 4.574 4.350 0.019 0.000 0.280 366 T C 1.115 175.821 174.700 0.011 0.000 0.984 366 T CA -0.503 61.601 62.100 0.006 0.000 0.972 366 T CB 0.643 69.519 68.868 0.013 0.000 1.039 366 T HN 0.624 nan 8.240 nan 0.000 0.530 367 K N 0.119 120.525 120.400 0.011 0.000 2.103 367 K HA -0.179 4.153 4.320 0.019 0.000 0.207 367 K C 1.934 178.541 176.600 0.011 0.000 1.048 367 K CA 1.735 58.030 56.287 0.012 0.000 0.930 367 K CB -0.171 32.337 32.500 0.012 0.000 0.716 367 K HN 0.664 nan 8.250 nan 0.000 0.444 368 E N 0.636 120.844 120.200 0.013 0.000 2.072 368 E HA -0.150 4.212 4.350 0.019 0.000 0.191 368 E C 2.049 178.661 176.600 0.021 0.000 0.985 368 E CA 1.243 57.651 56.400 0.014 0.000 0.801 368 E CB -0.002 29.707 29.700 0.015 0.000 0.750 368 E HN 0.372 nan 8.360 nan 0.000 0.452 369 Q N -0.053 119.763 119.800 0.027 0.000 2.124 369 Q HA -0.108 4.244 4.340 0.019 0.000 0.202 369 Q C 2.193 178.213 176.000 0.033 0.000 0.977 369 Q CA 1.338 57.164 55.803 0.038 0.000 0.850 369 Q CB -0.036 28.727 28.738 0.042 0.000 0.901 369 Q HN 0.163 nan 8.270 nan 0.000 0.429 370 V N 1.276 121.202 119.914 0.020 0.000 2.358 370 V HA -0.220 3.911 4.120 0.019 0.000 0.246 370 V C 2.122 178.206 176.094 -0.017 0.000 1.047 370 V CA 1.160 63.465 62.300 0.008 0.000 1.035 370 V CB -0.506 31.324 31.823 0.011 0.000 0.658 370 V HN 0.434 nan 8.190 nan 0.000 0.452 371 L N 0.595 121.810 121.223 -0.013 0.000 2.046 371 L HA -0.164 4.188 4.340 0.019 0.000 0.208 371 L C 2.555 179.408 176.870 -0.028 0.000 1.077 371 L CA 2.175 56.996 54.840 -0.032 0.000 0.747 371 L CB -0.932 41.117 42.059 -0.016 0.000 0.896 371 L HN 0.315 nan 8.230 nan 0.000 0.432 372 R N -0.405 120.103 120.500 0.013 0.000 2.075 372 R HA -0.150 4.201 4.340 0.019 0.000 0.232 372 R C 2.477 178.845 176.300 0.112 0.000 1.126 372 R CA 1.250 57.379 56.100 0.048 0.000 0.963 372 R CB -0.191 30.159 30.300 0.083 0.000 0.858 372 R HN 0.399 nan 8.270 nan 0.000 0.435 373 L N 0.242 121.535 121.223 0.117 0.000 2.079 373 L HA -0.202 4.150 4.340 0.019 0.000 0.210 373 L C 2.897 179.806 176.870 0.065 0.000 1.081 373 L CA 1.549 56.491 54.840 0.170 0.000 0.752 373 L CB -0.397 41.689 42.059 0.045 0.000 0.896 373 L HN 0.283 nan 8.230 nan 0.000 0.433 374 R N 0.106 120.538 120.500 -0.114 0.000 2.057 374 R HA -0.143 4.209 4.340 0.019 0.000 0.229 374 R C 2.184 178.342 176.300 -0.236 0.000 1.136 374 R CA 1.448 57.329 56.100 -0.365 0.000 0.952 374 R CB -0.046 29.954 30.300 -0.501 0.000 0.848 374 R HN 0.364 nan 8.270 nan 0.000 0.430 375 E N -0.003 120.115 120.200 -0.137 0.000 2.072 375 E HA -0.200 4.161 4.350 0.019 0.000 0.191 375 E C 1.492 178.025 176.600 -0.112 0.000 0.985 375 E CA 1.627 57.968 56.400 -0.099 0.000 0.801 375 E CB 0.123 29.779 29.700 -0.073 0.000 0.750 375 E HN 0.612 nan 8.360 nan 0.000 0.452 376 E N -1.160 118.943 120.200 -0.161 0.000 2.489 376 E HA 0.039 4.400 4.350 0.019 0.000 0.204 376 E C 0.814 177.085 176.600 -0.549 0.000 1.006 376 E CA 0.028 56.217 56.400 -0.352 0.000 0.936 376 E CB 0.269 29.687 29.700 -0.471 0.000 1.002 376 E HN 0.144 nan 8.360 nan 0.000 0.488 377 F N 0.510 120.441 119.950 -0.031 0.000 2.784 377 F HA 0.386 4.924 4.527 0.019 0.000 0.323 377 F C 1.505 177.307 175.800 0.004 0.000 1.085 377 F CA 0.242 58.234 58.000 -0.013 0.000 1.196 377 F CB 1.474 40.464 39.000 -0.016 0.000 1.053 377 F HN 0.149 nan 8.300 nan 0.000 0.578 378 G N 1.466 110.340 108.800 0.124 0.000 2.160 378 G HA2 -0.243 3.728 3.960 0.019 0.000 0.251 378 G HA3 -0.243 3.728 3.960 0.019 0.000 0.251 378 G C -0.204 174.838 174.900 0.237 0.000 1.008 378 G CA 0.286 45.488 45.100 0.170 0.000 0.724 378 G HN 0.168 nan 8.290 nan 0.000 0.514 379 V N 0.620 120.604 119.914 0.118 0.000 2.370 379 V HA 0.562 4.693 4.120 0.019 0.000 0.279 379 V C -0.228 175.883 176.094 0.030 0.000 1.029 379 V CA -0.933 61.448 62.300 0.135 0.000 0.870 379 V CB 1.059 32.924 31.823 0.071 0.000 0.984 379 V HN 0.226 nan 8.190 nan 0.000 0.451 380 Y N 3.393 123.711 120.300 0.029 0.000 2.342 380 Y HA 0.752 5.314 4.550 0.020 0.000 0.338 380 Y C 0.442 176.358 175.900 0.027 0.000 0.965 380 Y CA -0.357 57.760 58.100 0.028 0.000 1.159 380 Y CB 1.673 40.146 38.460 0.021 0.000 1.157 380 Y HN 0.756 nan 8.280 nan 0.000 0.486 381 A N 2.069 124.960 122.820 0.118 0.000 2.486 381 A HA 0.849 5.181 4.320 0.019 0.000 0.289 381 A C -1.284 176.350 177.584 0.084 0.000 1.176 381 A CA -0.841 51.255 52.037 0.098 0.000 0.757 381 A CB 0.855 19.897 19.000 0.070 0.000 1.337 381 A HN 0.399 nan 8.150 nan 0.000 0.423 382 V N 1.157 121.116 119.914 0.075 0.000 2.649 382 V HA 0.388 4.519 4.120 0.019 0.000 0.292 382 V C 1.749 177.873 176.094 0.050 0.000 1.055 382 V CA 0.469 62.803 62.300 0.056 0.000 1.023 382 V CB 0.986 32.829 31.823 0.034 0.000 0.992 382 V HN 1.307 nan 8.190 nan 0.000 0.480 383 A N 3.412 126.255 122.820 0.037 0.000 2.093 383 A HA -0.170 4.161 4.320 0.019 0.000 0.222 383 A C 2.228 179.838 177.584 0.044 0.000 1.162 383 A CA 2.143 54.199 52.037 0.031 0.000 0.655 383 A CB -0.596 18.417 19.000 0.021 0.000 0.805 383 A HN 1.118 nan 8.150 nan 0.000 0.461 384 S N -2.139 113.605 115.700 0.073 0.000 2.555 384 S HA 0.329 4.810 4.470 0.019 0.000 0.230 384 S C 1.467 176.116 174.600 0.082 0.000 0.978 384 S CA 1.112 59.391 58.200 0.131 0.000 0.934 384 S CB -0.370 62.967 63.200 0.228 0.000 0.766 384 S HN 1.965 nan 8.310 nan 0.000 0.533 385 G N 1.103 109.932 108.800 0.049 0.000 2.159 385 G HA2 -0.258 3.713 3.960 0.019 0.000 0.227 385 G HA3 -0.258 3.713 3.960 0.019 0.000 0.227 385 G C 0.036 174.986 174.900 0.084 0.000 0.986 385 G CA -0.050 45.047 45.100 -0.004 0.000 0.651 385 G HN 0.679 nan 8.290 nan 0.000 0.523 386 R N 0.509 121.114 120.500 0.175 0.000 2.298 386 R HA 0.529 4.880 4.340 0.019 0.000 0.310 386 R C 0.383 176.780 176.300 0.161 0.000 1.068 386 R CA 0.282 56.510 56.100 0.214 0.000 0.957 386 R CB 0.835 31.179 30.300 0.075 0.000 1.003 386 R HN 0.656 nan 8.270 nan 0.000 0.454 387 V N 1.802 121.846 119.914 0.217 0.000 2.680 387 V HA 0.398 4.530 4.120 0.019 0.000 0.309 387 V C -0.584 175.668 176.094 0.263 0.000 1.052 387 V CA -1.263 61.142 62.300 0.175 0.000 0.908 387 V CB 1.822 33.696 31.823 0.085 0.000 1.001 387 V HN 0.735 nan 8.190 nan 0.000 0.431 388 N N 3.316 122.146 118.700 0.216 0.000 2.439 388 N HA 0.258 5.010 4.740 0.019 0.000 0.243 388 N C 0.641 176.127 175.510 -0.039 0.000 1.088 388 N CA -0.038 53.107 53.050 0.158 0.000 0.940 388 N CB 1.223 39.797 38.487 0.145 0.000 1.180 388 N HN 0.577 nan 8.380 nan 0.000 0.505 389 V N 3.227 123.096 119.914 -0.074 0.000 2.490 389 V HA -0.190 3.941 4.120 0.019 0.000 0.250 389 V C 2.154 178.173 176.094 -0.124 0.000 1.061 389 V CA 2.033 64.253 62.300 -0.133 0.000 1.064 389 V CB -0.977 30.808 31.823 -0.063 0.000 0.670 389 V HN 0.782 nan 8.190 nan 0.000 0.461 390 A N 0.415 123.165 122.820 -0.118 0.000 2.178 390 A HA 0.001 4.333 4.320 0.019 0.000 0.218 390 A C 2.176 179.648 177.584 -0.186 0.000 1.157 390 A CA 1.465 53.437 52.037 -0.108 0.000 0.689 390 A CB -0.649 18.326 19.000 -0.042 0.000 0.787 390 A HN 0.556 nan 8.150 nan 0.000 0.465 391 G N -1.377 107.334 108.800 -0.148 0.000 3.042 391 G HA2 0.326 4.298 3.960 0.019 0.000 0.212 391 G HA3 0.326 4.298 3.960 0.019 0.000 0.212 391 G C 0.545 175.359 174.900 -0.144 0.000 1.166 391 G CA -0.312 44.704 45.100 -0.140 0.000 0.767 391 G HN 0.451 nan 8.290 nan 0.000 0.546 392 M N 1.849 121.353 119.600 -0.161 0.000 2.249 392 M HA 0.410 4.901 4.480 0.019 0.000 0.351 392 M C 0.289 176.516 176.300 -0.121 0.000 1.180 392 M CA -0.093 55.112 55.300 -0.158 0.000 1.127 392 M CB 1.675 34.145 32.600 -0.217 0.000 1.546 392 M HN 0.108 nan 8.290 nan 0.000 0.461 393 T N -0.982 113.517 114.554 -0.093 0.000 2.887 393 T HA 0.504 4.866 4.350 0.019 0.000 0.292 393 T C -2.538 172.136 174.700 -0.043 0.000 1.087 393 T CA -1.794 60.266 62.100 -0.067 0.000 1.009 393 T CB 1.684 70.513 68.868 -0.064 0.000 1.203 393 T HN 0.277 nan 8.240 nan 0.000 0.518 394 P HA 0.024 nan 4.420 nan 0.000 0.222 394 P C 0.533 177.824 177.300 -0.014 0.000 1.147 394 P CA 0.836 63.927 63.100 -0.014 0.000 0.790 394 P CB 0.041 31.737 31.700 -0.008 0.000 0.780 395 D N -0.951 119.438 120.400 -0.019 0.000 2.162 395 D HA -0.093 4.559 4.640 0.019 0.000 0.203 395 D C 1.397 177.688 176.300 -0.015 0.000 0.967 395 D CA 1.122 55.114 54.000 -0.015 0.000 0.840 395 D CB -0.696 40.095 40.800 -0.015 0.000 0.972 395 D HN 0.311 nan 8.370 nan 0.000 0.482 396 N N -0.381 118.304 118.700 -0.025 0.000 2.280 396 N HA 0.005 4.756 4.740 0.019 0.000 0.192 396 N C 1.368 176.860 175.510 -0.029 0.000 1.109 396 N CA 0.089 53.124 53.050 -0.025 0.000 0.855 396 N CB -0.171 38.296 38.487 -0.033 0.000 0.974 396 N HN -0.054 nan 8.380 nan 0.000 0.482 397 M N 1.153 120.736 119.600 -0.027 0.000 2.080 397 M HA 0.057 4.549 4.480 0.019 0.000 0.260 397 M C 1.906 178.208 176.300 0.004 0.000 1.068 397 M CA 1.492 56.784 55.300 -0.013 0.000 1.109 397 M CB -0.765 31.837 32.600 0.005 0.000 1.342 397 M HN 0.296 nan 8.290 nan 0.000 0.405 398 A N 0.880 123.700 122.820 -0.001 0.000 1.835 398 A HA -0.100 4.232 4.320 0.019 0.000 0.215 398 A C -0.214 177.364 177.584 -0.010 0.000 1.199 398 A CA 1.929 53.965 52.037 -0.003 0.000 0.615 398 A CB -2.435 16.564 19.000 -0.001 0.000 0.838 398 A HN 0.507 nan 8.150 nan 0.000 0.444 399 P HA -0.157 nan 4.420 nan 0.000 0.218 399 P C 1.785 179.066 177.300 -0.032 0.000 1.148 399 P CA 0.999 64.097 63.100 -0.004 0.000 0.822 399 P CB -0.213 31.498 31.700 0.019 0.000 0.784 400 L N 0.227 121.432 121.223 -0.029 0.000 1.994 400 L HA -0.130 4.222 4.340 0.019 0.000 0.208 400 L C 2.146 178.987 176.870 -0.049 0.000 1.071 400 L CA 2.178 56.991 54.840 -0.045 0.000 0.745 400 L CB -1.391 40.635 42.059 -0.056 0.000 0.892 400 L HN 0.046 nan 8.230 nan 0.000 0.431 401 C N 0.345 119.641 119.300 -0.008 0.000 2.432 401 C HA -0.085 4.387 4.460 0.019 0.000 0.280 401 C C 2.522 177.446 174.990 -0.111 0.000 1.353 401 C CA 0.392 59.396 59.018 -0.023 0.000 1.766 401 C CB -0.760 26.976 27.740 -0.007 0.000 1.924 401 C HN 0.553 nan 8.230 nan 0.000 0.509 402 E N 1.199 121.330 120.200 -0.114 0.000 2.106 402 E HA -0.117 4.245 4.350 0.019 0.000 0.192 402 E C 2.374 178.792 176.600 -0.304 0.000 0.984 402 E CA 1.248 57.563 56.400 -0.142 0.000 0.806 402 E CB -0.195 29.459 29.700 -0.077 0.000 0.750 402 E HN 0.686 nan 8.360 nan 0.000 0.458 403 A N 1.257 123.802 122.820 -0.459 0.000 1.898 403 A HA -0.130 4.201 4.320 0.019 0.000 0.216 403 A C 2.159 179.342 177.584 -0.668 0.000 1.181 403 A CA 0.871 52.276 52.037 -1.053 0.000 0.620 403 A CB -0.480 17.982 19.000 -0.897 0.000 0.819 403 A HN 0.114 nan 8.150 nan 0.000 0.442 404 I N -0.251 120.120 120.570 -0.332 0.000 2.226 404 I HA -0.200 3.982 4.170 0.019 0.000 0.245 404 I C 2.215 178.238 176.117 -0.157 0.000 1.100 404 I CA 1.032 62.218 61.300 -0.191 0.000 1.374 404 I CB -0.202 37.726 38.000 -0.119 0.000 1.057 404 I HN 0.140 nan 8.210 nan 0.000 0.413 405 V N 1.084 120.898 119.914 -0.167 0.000 2.626 405 V HA -0.131 4.001 4.120 0.019 0.000 0.252 405 V C 1.529 177.582 176.094 -0.069 0.000 1.067 405 V CA 1.080 63.320 62.300 -0.100 0.000 1.081 405 V CB -1.097 30.671 31.823 -0.092 0.000 0.686 405 V HN 0.401 nan 8.190 nan 0.000 0.468 409 L N 0.000 121.246 121.223 0.039 0.000 2.949 409 L HA 0.000 4.352 4.340 0.019 0.000 0.249 409 L CA 0.000 54.878 54.840 0.064 0.000 0.813 409 L CB 0.000 42.111 42.059 0.087 0.000 0.961 409 L HN 0.000 nan 8.230 nan 0.000 0.502