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 2d7y_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 VSNPSWPNHK 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 0.000 176.192 176.300 -0.180 0.000 1.140 5 M CA 0.000 55.104 55.300 -0.327 0.000 0.988 5 M CB 0.000 32.244 32.600 -0.594 0.000 1.302 6 F N 2.112 122.061 119.950 -0.003 0.000 2.664 6 F HA 0.344 4.885 4.527 0.023 0.000 0.301 6 F C 1.570 177.369 175.800 -0.003 0.000 1.126 6 F CA -0.105 57.894 58.000 -0.003 0.000 1.373 6 F CB -0.953 38.045 39.000 -0.003 0.000 1.042 6 F HN 0.122 nan 8.300 nan 0.000 0.535 7 E N 0.916 121.171 120.200 0.091 0.000 2.072 7 E HA -0.254 4.109 4.350 0.022 0.000 0.218 7 E C 0.548 177.185 176.600 0.061 0.000 1.051 7 E CA 1.350 57.781 56.400 0.052 0.000 0.880 7 E CB -0.424 29.283 29.700 0.012 0.000 0.783 7 E HN 0.329 nan 8.360 nan 0.000 0.473 8 N N 0.612 119.344 118.700 0.054 0.000 2.699 8 N HA 0.250 5.003 4.740 0.022 0.000 0.317 8 N C -0.438 175.100 175.510 0.046 0.000 1.661 8 N CA -0.050 53.025 53.050 0.042 0.000 0.979 8 N CB 0.522 39.025 38.487 0.026 0.000 1.329 8 N HN 0.100 nan 8.380 nan 0.000 0.497 9 I N 1.338 121.945 120.570 0.063 0.000 2.496 9 I HA 0.007 4.191 4.170 0.022 0.000 0.285 9 I C 1.180 177.310 176.117 0.023 0.000 1.080 9 I CA -0.127 61.202 61.300 0.048 0.000 1.404 9 I CB 0.835 38.867 38.000 0.053 0.000 1.403 9 I HN 0.105 nan 8.210 nan 0.000 0.539 10 T N 1.641 116.202 114.554 0.012 0.000 2.897 10 T HA 0.209 4.572 4.350 0.022 0.000 0.294 10 T C 0.283 174.980 174.700 -0.006 0.000 1.004 10 T CA -0.774 61.328 62.100 0.003 0.000 1.106 10 T CB 0.844 69.712 68.868 0.001 0.000 0.949 10 T HN 0.525 nan 8.240 nan 0.000 0.520 11 T N 3.017 117.567 114.554 -0.007 0.000 2.940 11 T HA 0.428 4.792 4.350 0.022 0.000 0.309 11 T C 0.744 175.434 174.700 -0.018 0.000 1.056 11 T CA -0.080 62.012 62.100 -0.014 0.000 1.137 11 T CB 0.093 68.954 68.868 -0.011 0.000 0.976 11 T HN 1.005 nan 8.240 nan 0.000 0.547 12 A N 4.610 127.416 122.820 -0.024 0.000 2.388 12 A HA 0.548 4.881 4.320 0.022 0.000 0.257 12 A C -1.841 175.728 177.584 -0.025 0.000 1.095 12 A CA -1.342 50.679 52.037 -0.027 0.000 0.791 12 A CB -0.474 18.506 19.000 -0.034 0.000 1.029 12 A HN 0.609 nan 8.150 nan 0.000 0.489 13 P HA 0.361 nan 4.420 nan 0.000 0.269 13 P C -0.179 177.105 177.300 -0.027 0.000 1.215 13 P CA 0.029 63.114 63.100 -0.025 0.000 0.780 13 P CB 0.568 32.251 31.700 -0.029 0.000 0.898 14 A N 1.656 124.462 122.820 -0.022 0.000 2.440 14 A HA 0.109 4.442 4.320 0.022 0.000 0.251 14 A C 0.437 178.004 177.584 -0.028 0.000 1.089 14 A CA -0.240 51.785 52.037 -0.020 0.000 0.779 14 A CB -0.181 18.813 19.000 -0.011 0.000 1.022 14 A HN 0.605 nan 8.150 nan 0.000 0.492 15 D N 3.088 123.469 120.400 -0.032 0.000 2.414 15 D HA 0.088 4.742 4.640 0.022 0.000 0.242 15 D C -1.170 175.110 176.300 -0.034 0.000 1.129 15 D CA -1.194 52.778 54.000 -0.045 0.000 0.885 15 D CB 1.101 41.873 40.800 -0.047 0.000 1.198 15 D HN 0.309 nan 8.370 nan 0.000 0.437 16 P HA -0.078 nan 4.420 nan 0.000 0.222 16 P C 1.272 178.564 177.300 -0.013 0.000 1.147 16 P CA 1.005 64.087 63.100 -0.031 0.000 0.790 16 P CB 0.559 32.231 31.700 -0.048 0.000 0.780 17 I N -2.303 118.259 120.570 -0.014 0.000 3.570 17 I HA -0.002 4.181 4.170 0.022 0.000 0.270 17 I C 1.988 178.118 176.117 0.021 0.000 1.162 17 I CA -0.011 61.296 61.300 0.012 0.000 1.413 17 I CB -0.483 37.531 38.000 0.023 0.000 1.437 17 I HN -0.261 nan 8.210 nan 0.000 0.457 18 L N 1.442 122.672 121.223 0.011 0.000 2.131 18 L HA -0.077 4.277 4.340 0.022 0.000 0.210 18 L C 2.453 179.329 176.870 0.010 0.000 1.092 18 L CA 2.018 56.864 54.840 0.011 0.000 0.759 18 L CB -1.313 40.747 42.059 0.001 0.000 0.903 18 L HN 0.288 nan 8.230 nan 0.000 0.435 19 G N -1.170 107.635 108.800 0.008 0.000 2.448 19 G HA2 -0.192 3.781 3.960 0.022 0.000 0.218 19 G HA3 -0.192 3.781 3.960 0.022 0.000 0.218 19 G C 1.612 176.532 174.900 0.033 0.000 1.135 19 G CA 0.427 45.535 45.100 0.013 0.000 0.784 19 G HN 0.324 nan 8.290 nan 0.000 0.543 20 L N 1.409 122.660 121.223 0.046 0.000 2.131 20 L HA 0.151 4.504 4.340 0.022 0.000 0.210 20 L C 2.916 179.845 176.870 0.098 0.000 1.092 20 L CA 1.847 56.740 54.840 0.089 0.000 0.759 20 L CB -0.502 41.614 42.059 0.095 0.000 0.903 20 L HN 0.205 nan 8.230 nan 0.000 0.435 21 A N -0.552 122.297 122.820 0.048 0.000 1.902 21 A HA -0.256 4.077 4.320 0.022 0.000 0.217 21 A C 1.902 179.487 177.584 0.001 0.000 1.181 21 A CA 1.984 54.029 52.037 0.012 0.000 0.623 21 A CB -0.938 18.062 19.000 -0.001 0.000 0.818 21 A HN 0.543 nan 8.150 nan 0.000 0.443 22 D N 0.273 120.683 120.400 0.017 0.000 2.123 22 D HA -0.157 4.496 4.640 0.022 0.000 0.196 22 D C 1.784 178.102 176.300 0.030 0.000 0.992 22 D CA 1.299 55.308 54.000 0.014 0.000 0.833 22 D CB -0.351 40.459 40.800 0.017 0.000 0.954 22 D HN 0.458 nan 8.370 nan 0.000 0.455 23 L N 0.103 121.375 121.223 0.082 0.000 2.189 23 L HA -0.177 4.176 4.340 0.022 0.000 0.214 23 L C 2.270 179.208 176.870 0.113 0.000 1.097 23 L CA 0.676 55.611 54.840 0.158 0.000 0.764 23 L CB -0.443 41.791 42.059 0.292 0.000 0.900 23 L HN 0.154 nan 8.230 nan 0.000 0.436 24 L N -0.688 120.499 121.223 -0.060 0.000 2.156 24 L HA -0.156 4.197 4.340 0.022 0.000 0.208 24 L C 2.817 179.600 176.870 -0.146 0.000 1.095 24 L CA 0.522 55.180 54.840 -0.302 0.000 0.770 24 L CB -0.276 41.573 42.059 -0.350 0.000 0.914 24 L HN 0.204 nan 8.230 nan 0.000 0.439 25 R N 0.726 121.184 120.500 -0.069 0.000 2.070 25 R HA -0.138 4.216 4.340 0.022 0.000 0.232 25 R C 2.234 178.519 176.300 -0.025 0.000 1.138 25 R CA 2.012 58.087 56.100 -0.043 0.000 0.936 25 R CB -0.834 29.451 30.300 -0.024 0.000 0.839 25 R HN 0.282 nan 8.270 nan 0.000 0.429 26 A N 0.664 123.483 122.820 -0.002 0.000 1.858 26 A HA -0.131 4.202 4.320 0.022 0.000 0.216 26 A C 0.804 178.398 177.584 0.016 0.000 1.190 26 A CA 1.294 53.338 52.037 0.012 0.000 0.617 26 A CB -0.941 18.076 19.000 0.028 0.000 0.827 26 A HN 0.508 nan 8.150 nan 0.000 0.443 27 D N 0.831 121.251 120.400 0.033 0.000 2.502 27 D HA -0.026 4.628 4.640 0.022 0.000 0.249 27 D C 0.801 177.103 176.300 0.004 0.000 1.188 27 D CA 0.646 54.675 54.000 0.047 0.000 0.890 27 D CB 0.388 41.252 40.800 0.107 0.000 1.140 27 D HN 0.689 nan 8.370 nan 0.000 0.505 28 E N 3.044 123.251 120.200 0.011 0.000 2.481 28 E HA 0.069 4.432 4.350 0.022 0.000 0.198 28 E C 0.284 176.886 176.600 0.004 0.000 1.027 28 E CA -0.463 55.937 56.400 -0.000 0.000 0.900 28 E CB 0.324 30.024 29.700 0.001 0.000 0.993 28 E HN 0.279 nan 8.360 nan 0.000 0.482 29 R N 1.951 122.462 120.500 0.019 0.000 2.585 29 R HA 0.030 4.384 4.340 0.022 0.000 0.275 29 R C -1.645 174.665 176.300 0.016 0.000 1.018 29 R CA -0.894 55.221 56.100 0.025 0.000 1.072 29 R CB 0.178 30.507 30.300 0.048 0.000 0.953 29 R HN 0.031 nan 8.270 nan 0.000 0.419 30 P HA -0.119 nan 4.420 nan 0.000 0.210 30 P C 1.011 178.319 177.300 0.013 0.000 1.191 30 P CA 1.094 64.200 63.100 0.009 0.000 0.917 30 P CB -0.008 31.699 31.700 0.011 0.000 0.778 31 G N 0.019 108.837 108.800 0.029 0.000 2.780 31 G HA2 -0.181 3.793 3.960 0.022 0.000 0.205 31 G HA3 -0.181 3.793 3.960 0.022 0.000 0.205 31 G C 0.315 175.244 174.900 0.049 0.000 1.158 31 G CA 0.065 45.188 45.100 0.038 0.000 0.812 31 G HN 0.289 nan 8.290 nan 0.000 0.521 32 K N -0.259 120.164 120.400 0.039 0.000 2.591 32 K HA 0.108 4.442 4.320 0.022 0.000 0.280 32 K C -0.144 176.472 176.600 0.027 0.000 0.964 32 K CA 0.699 57.011 56.287 0.041 0.000 1.014 32 K CB 0.556 33.021 32.500 -0.058 0.000 0.877 32 K HN 0.116 nan 8.250 nan 0.000 0.502 33 I N 2.171 122.784 120.570 0.071 0.000 2.497 33 I HA 0.037 4.221 4.170 0.022 0.000 0.284 33 I C -0.853 175.303 176.117 0.066 0.000 1.060 33 I CA -0.789 60.539 61.300 0.047 0.000 1.071 33 I CB 1.747 39.782 38.000 0.058 0.000 1.216 33 I HN 0.528 nan 8.210 nan 0.000 0.442 34 D N 7.402 127.800 120.400 -0.003 0.000 2.411 34 D HA 0.297 4.950 4.640 0.022 0.000 0.225 34 D C 0.241 176.557 176.300 0.027 0.000 1.156 34 D CA 0.054 54.059 54.000 0.007 0.000 0.874 34 D CB 0.886 41.648 40.800 -0.063 0.000 1.034 34 D HN 0.457 nan 8.370 nan 0.000 0.502 35 L N 2.969 124.238 121.223 0.076 0.000 2.818 35 L HA 0.379 4.733 4.340 0.022 0.000 0.243 35 L C 1.564 178.493 176.870 0.099 0.000 1.185 35 L CA -0.344 54.528 54.840 0.053 0.000 0.988 35 L CB 0.725 42.800 42.059 0.026 0.000 1.292 35 L HN 0.462 nan 8.230 nan 0.000 0.519 36 G N 0.425 109.290 108.800 0.109 0.000 2.600 36 G HA2 0.059 4.033 3.960 0.022 0.000 0.225 36 G HA3 0.059 4.033 3.960 0.022 0.000 0.225 36 G C 1.103 176.076 174.900 0.122 0.000 1.623 36 G CA 0.591 45.760 45.100 0.115 0.000 0.903 36 G HN 0.235 nan 8.290 nan 0.000 0.574 37 M N -0.601 119.047 119.600 0.081 0.000 7.317 37 M HA -0.247 4.247 4.480 0.022 0.000 0.325 37 M C 1.490 177.867 176.300 0.128 0.000 0.480 37 M CA 3.025 58.363 55.300 0.063 0.000 1.310 37 M CB -1.634 30.975 32.600 0.015 0.000 0.425 37 M HN 1.775 nan 8.290 nan 0.000 0.848 38 G N -0.151 108.749 108.800 0.168 0.000 2.789 38 G HA2 0.305 4.279 3.960 0.022 0.000 0.218 38 G HA3 0.305 4.279 3.960 0.022 0.000 0.218 38 G C -0.157 174.836 174.900 0.156 0.000 0.980 38 G CA 0.273 45.576 45.100 0.339 0.000 0.848 38 G HN 1.625 nan 8.290 nan 0.000 0.591 39 V N -2.302 117.602 119.914 -0.017 0.000 3.166 39 V HA 0.873 5.007 4.120 0.022 0.000 0.317 39 V C 0.240 176.346 176.094 0.020 0.000 1.136 39 V CA -1.935 60.301 62.300 -0.107 0.000 1.035 39 V CB 1.598 33.086 31.823 -0.558 0.000 1.110 39 V HN 0.528 nan 8.190 nan 0.000 0.450 40 Y N 1.771 122.105 120.300 0.057 0.000 2.336 40 Y HA 0.578 5.140 4.550 0.021 0.000 0.331 40 Y C -0.066 175.857 175.900 0.039 0.000 1.211 40 Y CA 0.217 58.357 58.100 0.066 0.000 1.346 40 Y CB 0.991 39.565 38.460 0.191 0.000 1.271 40 Y HN 0.892 nan 8.280 nan 0.000 0.538 41 N N 3.231 121.421 118.700 -0.850 0.000 2.229 41 N HA 0.233 4.986 4.740 0.022 0.000 0.298 41 N C -1.672 173.268 175.510 -0.951 0.000 1.114 41 N CA -0.788 51.896 53.050 -0.610 0.000 0.776 41 N CB 1.279 39.560 38.487 -0.345 0.000 1.501 41 N HN 0.677 nan 8.380 nan 0.000 0.474 42 D N -0.283 119.869 120.400 -0.414 0.000 2.487 42 D HA 0.234 4.888 4.640 0.022 0.000 0.262 42 D C 0.564 176.787 176.300 -0.127 0.000 1.130 42 D CA -0.280 53.599 54.000 -0.202 0.000 1.038 42 D CB 0.611 41.435 40.800 0.041 0.000 1.142 42 D HN 0.279 nan 8.370 nan 0.000 0.575 43 E N -0.213 119.957 120.200 -0.050 0.000 2.169 43 E HA -0.186 4.178 4.350 0.022 0.000 0.202 43 E C 1.771 178.346 176.600 -0.041 0.000 1.016 43 E CA 1.826 58.203 56.400 -0.038 0.000 0.817 43 E CB -0.668 29.026 29.700 -0.009 0.000 0.736 43 E HN 0.598 nan 8.360 nan 0.000 0.462 44 T N -0.996 113.538 114.554 -0.033 0.000 2.995 44 T HA 0.083 4.446 4.350 0.022 0.000 0.269 44 T C 1.276 175.950 174.700 -0.044 0.000 1.091 44 T CA 1.181 63.264 62.100 -0.028 0.000 1.128 44 T CB -0.018 68.843 68.868 -0.012 0.000 0.891 44 T HN 0.461 nan 8.240 nan 0.000 0.492 45 G N 1.548 110.306 108.800 -0.071 0.000 2.130 45 G HA2 -0.186 3.788 3.960 0.022 0.000 0.216 45 G HA3 -0.186 3.788 3.960 0.022 0.000 0.216 45 G C -0.129 174.727 174.900 -0.073 0.000 0.999 45 G CA -0.241 44.807 45.100 -0.086 0.000 0.686 45 G HN 0.472 nan 8.290 nan 0.000 0.515 46 K N -0.511 119.854 120.400 -0.059 0.000 2.306 46 K HA 0.732 5.065 4.320 0.022 0.000 0.236 46 K C -0.409 176.187 176.600 -0.007 0.000 1.013 46 K CA -0.670 55.602 56.287 -0.025 0.000 0.857 46 K CB 1.565 34.067 32.500 0.003 0.000 1.214 46 K HN 0.011 nan 8.250 nan 0.000 0.449 47 T N 3.295 117.871 114.554 0.037 0.000 3.331 47 T HA 0.220 4.583 4.350 0.022 0.000 0.381 47 T C -2.069 172.723 174.700 0.153 0.000 1.656 47 T CA -1.209 60.961 62.100 0.116 0.000 1.453 47 T CB 0.273 69.187 68.868 0.076 0.000 1.066 47 T HN 0.467 nan 8.240 nan 0.000 0.655 48 P HA 0.371 nan 4.420 nan 0.000 0.274 48 P C -0.523 176.874 177.300 0.162 0.000 1.256 48 P CA -0.444 62.739 63.100 0.139 0.000 0.795 48 P CB 0.860 32.632 31.700 0.120 0.000 1.038 49 V N 1.584 121.575 119.914 0.128 0.000 2.465 49 V HA 0.137 4.271 4.120 0.022 0.000 0.279 49 V C 0.967 177.128 176.094 0.111 0.000 1.045 49 V CA -0.704 61.672 62.300 0.126 0.000 0.938 49 V CB 0.663 32.550 31.823 0.106 0.000 0.986 49 V HN 0.368 nan 8.190 nan 0.000 0.467 50 L N 3.837 125.130 121.223 0.116 0.000 2.499 50 L HA 0.065 4.418 4.340 0.022 0.000 0.281 50 L C 1.811 178.732 176.870 0.085 0.000 1.234 50 L CA 0.140 55.038 54.840 0.097 0.000 0.839 50 L CB 0.097 42.226 42.059 0.118 0.000 1.104 50 L HN 0.732 nan 8.230 nan 0.000 0.500 51 T N -0.147 114.447 114.554 0.066 0.000 2.708 51 T HA -0.161 4.202 4.350 0.022 0.000 0.266 51 T C 1.954 176.692 174.700 0.063 0.000 1.037 51 T CA 1.718 63.851 62.100 0.056 0.000 1.146 51 T CB -0.115 68.776 68.868 0.039 0.000 0.865 51 T HN 0.878 nan 8.240 nan 0.000 0.435 52 S N 1.417 117.164 115.700 0.078 0.000 2.387 52 S HA -0.116 4.368 4.470 0.022 0.000 0.230 52 S C 2.141 176.787 174.600 0.076 0.000 1.035 52 S CA 1.092 59.343 58.200 0.086 0.000 1.014 52 S CB -0.994 62.294 63.200 0.146 0.000 0.836 52 S HN 0.312 nan 8.310 nan 0.000 0.466 53 V N 2.001 121.971 119.914 0.095 0.000 2.379 53 V HA -0.080 4.054 4.120 0.022 0.000 0.245 53 V C 2.796 178.924 176.094 0.057 0.000 1.044 53 V CA 1.574 63.919 62.300 0.076 0.000 1.036 53 V CB -0.550 31.337 31.823 0.106 0.000 0.664 53 V HN 0.382 nan 8.190 nan 0.000 0.453 54 K N 0.536 120.976 120.400 0.067 0.000 2.057 54 K HA -0.146 4.188 4.320 0.022 0.000 0.207 54 K C 2.141 178.777 176.600 0.060 0.000 1.049 54 K CA 1.383 57.708 56.287 0.064 0.000 0.931 54 K CB -0.334 32.202 32.500 0.060 0.000 0.714 54 K HN 0.443 nan 8.250 nan 0.000 0.440 55 K N 0.377 120.809 120.400 0.053 0.000 2.097 55 K HA -0.069 4.265 4.320 0.022 0.000 0.206 55 K C 2.149 178.787 176.600 0.064 0.000 1.049 55 K CA 1.199 57.517 56.287 0.052 0.000 0.933 55 K CB -0.106 32.415 32.500 0.035 0.000 0.717 55 K HN 0.098 nan 8.250 nan 0.000 0.442 56 A N 1.580 124.426 122.820 0.043 0.000 1.930 56 A HA -0.164 4.170 4.320 0.022 0.000 0.217 56 A C 1.785 179.413 177.584 0.072 0.000 1.175 56 A CA 1.264 53.325 52.037 0.039 0.000 0.627 56 A CB -0.253 18.732 19.000 -0.024 0.000 0.815 56 A HN 0.260 nan 8.150 nan 0.000 0.443 57 E N -0.890 119.341 120.200 0.052 0.000 2.274 57 E HA -0.197 4.167 4.350 0.022 0.000 0.194 57 E C 2.087 178.745 176.600 0.096 0.000 0.996 57 E CA 1.033 57.481 56.400 0.080 0.000 0.840 57 E CB -0.021 29.751 29.700 0.121 0.000 0.772 57 E HN 0.719 nan 8.360 nan 0.000 0.491 58 Q N 0.212 120.069 119.800 0.095 0.000 2.020 58 Q HA -0.203 4.150 4.340 0.022 0.000 0.198 58 Q C 1.832 177.888 176.000 0.094 0.000 0.974 58 Q CA 1.387 57.241 55.803 0.084 0.000 0.829 58 Q CB -0.451 28.338 28.738 0.085 0.000 0.894 58 Q HN 0.336 nan 8.270 nan 0.000 0.433 59 Y N 0.483 120.783 120.300 -0.000 0.000 2.097 59 Y HA -0.223 4.337 4.550 0.018 0.000 0.282 59 Y C 1.760 177.655 175.900 -0.007 0.000 1.152 59 Y CA 1.996 60.092 58.100 -0.007 0.000 1.136 59 Y CB -0.335 38.115 38.460 -0.017 0.000 0.975 59 Y HN 0.169 nan 8.280 nan 0.000 0.498 60 L N -0.637 120.599 121.223 0.022 0.000 2.079 60 L HA -0.225 4.128 4.340 0.022 0.000 0.210 60 L C 2.392 179.217 176.870 -0.074 0.000 1.081 60 L CA 1.190 55.997 54.840 -0.054 0.000 0.752 60 L CB -0.731 41.344 42.059 0.028 0.000 0.896 60 L HN 0.336 nan 8.230 nan 0.000 0.433 61 L N -0.130 121.075 121.223 -0.029 0.000 2.201 61 L HA -0.156 4.198 4.340 0.022 0.000 0.212 61 L C 2.085 178.913 176.870 -0.070 0.000 1.105 61 L CA 1.729 56.553 54.840 -0.028 0.000 0.775 61 L CB -0.331 41.730 42.059 0.003 0.000 0.913 61 L HN 0.224 nan 8.230 nan 0.000 0.440 62 E N -1.635 118.494 120.200 -0.119 0.000 2.452 62 E HA 0.032 4.395 4.350 0.022 0.000 0.197 62 E C 1.023 177.507 176.600 -0.192 0.000 1.022 62 E CA 0.339 56.660 56.400 -0.131 0.000 0.890 62 E CB 0.180 29.812 29.700 -0.113 0.000 0.918 62 E HN 0.493 nan 8.360 nan 0.000 0.496 63 N N 0.203 118.735 118.700 -0.281 0.000 2.397 63 N HA 0.038 4.792 4.740 0.022 0.000 0.190 63 N C 0.151 175.559 175.510 -0.170 0.000 1.099 63 N CA 0.071 52.950 53.050 -0.285 0.000 0.876 63 N CB 0.667 38.835 38.487 -0.532 0.000 1.143 63 N HN 0.025 nan 8.380 nan 0.000 0.468 67 T N 0.382 114.911 114.554 -0.041 0.000 2.840 67 T HA 0.568 4.931 4.350 0.022 0.000 0.317 67 T C -1.490 173.179 174.700 -0.051 0.000 1.401 67 T CA -0.607 61.466 62.100 -0.044 0.000 1.028 67 T CB 1.768 70.615 68.868 -0.036 0.000 1.317 67 T HN -0.048 nan 8.240 nan 0.000 0.495 68 K N 2.330 122.687 120.400 -0.072 0.000 2.646 68 K HA 0.249 4.582 4.320 0.022 0.000 0.206 68 K C 0.196 176.714 176.600 -0.137 0.000 1.069 68 K CA -0.498 55.736 56.287 -0.089 0.000 1.067 68 K CB 0.134 32.575 32.500 -0.099 0.000 0.807 68 K HN 0.465 nan 8.250 nan 0.000 0.482 69 N N 0.923 119.558 118.700 -0.107 0.000 2.441 69 N HA -0.080 4.674 4.740 0.022 0.000 0.251 69 N C -0.427 175.041 175.510 -0.069 0.000 1.242 69 N CA 0.215 53.192 53.050 -0.120 0.000 0.898 69 N CB 0.237 38.703 38.487 -0.034 0.000 1.100 69 N HN -0.054 nan 8.380 nan 0.000 0.443 70 Y N 1.235 121.535 120.300 -0.000 0.000 2.993 70 Y HA -0.064 4.502 4.550 0.026 0.000 0.340 70 Y C 0.847 176.749 175.900 0.004 0.000 1.273 70 Y CA 0.527 58.629 58.100 0.003 0.000 1.545 70 Y CB 0.125 38.588 38.460 0.004 0.000 1.275 70 Y HN 0.291 nan 8.280 nan 0.000 0.617 71 L N 2.019 123.363 121.223 0.200 0.000 2.416 71 L HA 0.504 4.858 4.340 0.022 0.000 0.262 71 L C 1.109 178.039 176.870 0.099 0.000 1.093 71 L CA -0.775 54.131 54.840 0.109 0.000 0.801 71 L CB 0.709 42.810 42.059 0.071 0.000 1.191 71 L HN 0.806 nan 8.230 nan 0.000 0.459 72 G N 0.219 109.061 108.800 0.069 0.000 2.636 72 G HA2 0.225 4.199 3.960 0.022 0.000 0.246 72 G HA3 0.225 4.199 3.960 0.022 0.000 0.246 72 G C 1.013 175.935 174.900 0.037 0.000 1.216 72 G CA -0.468 44.660 45.100 0.047 0.000 0.854 72 G HN 0.688 nan 8.290 nan 0.000 0.572 73 I N 0.403 120.969 120.570 -0.006 0.000 2.229 73 I HA -0.235 3.949 4.170 0.022 0.000 0.250 73 I C 2.009 178.132 176.117 0.011 0.000 1.096 73 I CA 1.816 63.093 61.300 -0.039 0.000 1.358 73 I CB -0.103 37.831 38.000 -0.109 0.000 1.047 73 I HN 0.587 nan 8.210 nan 0.000 0.422 74 D N 0.431 120.868 120.400 0.061 0.000 2.328 74 D HA 0.184 4.838 4.640 0.022 0.000 0.226 74 D C 1.041 177.438 176.300 0.162 0.000 1.066 74 D CA 0.754 54.847 54.000 0.155 0.000 0.861 74 D CB -0.199 40.796 40.800 0.324 0.000 0.912 74 D HN 0.403 nan 8.370 nan 0.000 0.521 75 G N 1.071 109.933 108.800 0.104 0.000 2.642 75 G HA2 -0.250 3.724 3.960 0.022 0.000 0.231 75 G HA3 -0.250 3.724 3.960 0.022 0.000 0.231 75 G C -0.311 174.630 174.900 0.069 0.000 1.338 75 G CA -0.344 44.793 45.100 0.061 0.000 0.883 75 G HN 0.322 nan 8.290 nan 0.000 0.570 76 I N 3.459 124.048 120.570 0.031 0.000 2.581 76 I HA 0.112 4.295 4.170 0.022 0.000 0.285 76 I C -0.196 175.997 176.117 0.127 0.000 1.129 76 I CA -0.988 60.348 61.300 0.060 0.000 1.397 76 I CB 1.109 39.123 38.000 0.022 0.000 1.399 76 I HN 0.437 nan 8.210 nan 0.000 0.537 77 P HA -0.200 nan 4.420 nan 0.000 0.216 77 P C 0.977 178.324 177.300 0.079 0.000 1.150 77 P CA 1.484 64.636 63.100 0.088 0.000 0.843 77 P CB 0.328 32.064 31.700 0.061 0.000 0.787 78 E N -0.482 119.760 120.200 0.070 0.000 2.051 78 E HA -0.144 4.220 4.350 0.022 0.000 0.192 78 E C 1.869 178.496 176.600 0.046 0.000 0.991 78 E CA 0.828 57.253 56.400 0.041 0.000 0.799 78 E CB -1.444 28.272 29.700 0.026 0.000 0.748 78 E HN 0.228 nan 8.360 nan 0.000 0.449 79 F N 1.076 120.984 119.950 -0.070 0.000 2.120 79 F HA -0.187 4.353 4.527 0.022 0.000 0.300 79 F C 2.086 177.862 175.800 -0.040 0.000 1.095 79 F CA 1.977 59.917 58.000 -0.100 0.000 1.249 79 F CB -0.649 38.290 39.000 -0.101 0.000 0.995 79 F HN 0.073 nan 8.300 nan 0.000 0.480 80 G N 0.594 109.460 108.800 0.109 0.000 2.453 80 G HA2 -0.291 3.683 3.960 0.022 0.000 0.215 80 G HA3 -0.291 3.683 3.960 0.022 0.000 0.215 80 G C 1.659 176.530 174.900 -0.048 0.000 1.201 80 G CA 0.987 46.109 45.100 0.036 0.000 0.784 80 G HN 0.499 nan 8.290 nan 0.000 0.545 81 R N -0.650 119.833 120.500 -0.028 0.000 2.115 81 R HA 0.061 4.415 4.340 0.022 0.000 0.230 81 R C 2.429 178.696 176.300 -0.055 0.000 1.111 81 R CA 1.195 57.279 56.100 -0.027 0.000 0.976 81 R CB -1.190 29.103 30.300 -0.011 0.000 0.870 81 R HN 0.285 nan 8.270 nan 0.000 0.445 82 C N 1.134 120.372 119.300 -0.103 0.000 2.419 82 C HA -0.025 4.449 4.460 0.022 0.000 0.281 82 C C 2.543 177.441 174.990 -0.153 0.000 1.336 82 C CA 1.278 60.219 59.018 -0.127 0.000 1.770 82 C CB -0.818 26.818 27.740 -0.173 0.000 1.929 82 C HN 0.597 nan 8.230 nan 0.000 0.509 83 T N 0.049 114.467 114.554 -0.227 0.000 2.812 83 T HA -0.155 4.209 4.350 0.022 0.000 0.264 83 T C 1.799 176.425 174.700 -0.124 0.000 1.042 83 T CA 1.226 63.209 62.100 -0.193 0.000 1.140 83 T CB -0.223 68.466 68.868 -0.298 0.000 0.870 83 T HN 0.639 nan 8.240 nan 0.000 0.445 84 Q N 0.617 120.378 119.800 -0.064 0.000 2.167 84 Q HA -0.085 4.269 4.340 0.022 0.000 0.202 84 Q C 2.270 178.303 176.000 0.054 0.000 0.970 84 Q CA 1.095 56.920 55.803 0.036 0.000 0.855 84 Q CB -0.080 28.765 28.738 0.178 0.000 0.911 84 Q HN 0.598 nan 8.270 nan 0.000 0.438 85 E N 0.307 120.521 120.200 0.023 0.000 2.106 85 E HA -0.164 4.199 4.350 0.022 0.000 0.192 85 E C 1.839 178.443 176.600 0.007 0.000 0.984 85 E CA 0.483 56.904 56.400 0.035 0.000 0.806 85 E CB 0.071 29.782 29.700 0.017 0.000 0.750 85 E HN 0.139 nan 8.360 nan 0.000 0.458 86 L N 0.687 121.898 121.223 -0.021 0.000 2.056 86 L HA -0.141 4.213 4.340 0.022 0.000 0.207 86 L C 1.927 178.769 176.870 -0.046 0.000 1.078 86 L CA 1.464 56.306 54.840 0.005 0.000 0.749 86 L CB -0.143 41.943 42.059 0.045 0.000 0.901 86 L HN 0.122 nan 8.230 nan 0.000 0.433 87 L N -2.214 118.884 121.223 -0.208 0.000 2.049 87 L HA -0.120 4.234 4.340 0.022 0.000 0.203 87 L C 1.950 178.521 176.870 -0.498 0.000 1.074 87 L CA 1.049 55.616 54.840 -0.456 0.000 0.749 87 L CB -0.437 41.049 42.059 -0.954 0.000 0.907 87 L HN 0.169 nan 8.230 nan 0.000 0.439 88 F N -0.350 119.573 119.950 -0.045 0.000 2.746 88 F HA 0.417 4.958 4.527 0.023 0.000 0.297 88 F C 1.194 176.971 175.800 -0.038 0.000 1.113 88 F CA 0.097 58.061 58.000 -0.060 0.000 1.367 88 F CB -0.258 38.708 39.000 -0.057 0.000 1.111 88 F HN 0.074 nan 8.300 nan 0.000 0.590 89 G N 0.488 109.357 108.800 0.115 0.000 2.697 89 G HA2 -0.186 3.787 3.960 0.022 0.000 0.686 89 G HA3 -0.186 3.787 3.960 0.022 0.000 0.686 89 G C 0.232 175.177 174.900 0.074 0.000 1.179 89 G CA -0.658 44.487 45.100 0.075 0.000 0.765 89 G HN 0.124 nan 8.290 nan 0.000 0.649 90 K N 0.772 121.199 120.400 0.046 0.000 2.044 90 K HA -0.033 4.300 4.320 0.022 0.000 0.210 90 K C 2.547 179.166 176.600 0.032 0.000 1.049 90 K CA 2.222 58.530 56.287 0.036 0.000 0.927 90 K CB -0.145 32.369 32.500 0.024 0.000 0.713 90 K HN 0.901 nan 8.250 nan 0.000 0.443 91 G N 0.181 108.997 108.800 0.027 0.000 3.233 91 G HA2 -0.036 3.937 3.960 0.022 0.000 0.227 91 G HA3 -0.036 3.937 3.960 0.022 0.000 0.227 91 G C -0.090 174.819 174.900 0.015 0.000 1.175 91 G CA -0.315 44.795 45.100 0.017 0.000 0.781 91 G HN 0.213 nan 8.290 nan 0.000 0.542 92 S N 0.149 115.867 115.700 0.031 0.000 2.642 92 S HA 0.199 4.682 4.470 0.022 0.000 0.308 92 S C 1.895 176.479 174.600 -0.027 0.000 1.255 92 S CA 0.357 58.568 58.200 0.018 0.000 1.057 92 S CB 0.721 63.964 63.200 0.072 0.000 0.785 92 S HN 0.546 nan 8.310 nan 0.000 0.500 93 A N 5.560 128.351 122.820 -0.048 0.000 1.969 93 A HA 0.021 4.354 4.320 0.022 0.000 0.218 93 A C 2.090 179.614 177.584 -0.100 0.000 1.169 93 A CA 1.140 53.141 52.037 -0.060 0.000 0.635 93 A CB -0.548 18.420 19.000 -0.053 0.000 0.810 93 A HN 0.887 nan 8.150 nan 0.000 0.445 94 L N -0.603 120.515 121.223 -0.174 0.000 2.127 94 L HA -0.193 4.160 4.340 0.022 0.000 0.211 94 L C 2.330 179.081 176.870 -0.199 0.000 1.089 94 L CA 1.226 55.904 54.840 -0.269 0.000 0.757 94 L CB -0.483 41.217 42.059 -0.599 0.000 0.899 94 L HN 0.421 nan 8.230 nan 0.000 0.434 95 I N -0.820 119.673 120.570 -0.129 0.000 2.400 95 I HA -0.178 4.005 4.170 0.022 0.000 0.248 95 I C 2.128 178.216 176.117 -0.048 0.000 1.109 95 I CA 0.615 61.878 61.300 -0.062 0.000 1.425 95 I CB -0.399 37.601 38.000 -0.000 0.000 1.094 95 I HN 0.285 nan 8.210 nan 0.000 0.425 96 N N 1.202 119.876 118.700 -0.043 0.000 2.104 96 N HA -0.169 4.584 4.740 0.022 0.000 0.190 96 N C 0.990 176.478 175.510 -0.036 0.000 1.024 96 N CA 1.411 54.442 53.050 -0.032 0.000 0.853 96 N CB -0.302 38.169 38.487 -0.027 0.000 1.008 96 N HN 0.363 nan 8.380 nan 0.000 0.424 97 D N 0.711 121.081 120.400 -0.049 0.000 2.340 97 D HA 0.042 4.695 4.640 0.022 0.000 0.220 97 D C 0.121 176.391 176.300 -0.049 0.000 1.039 97 D CA 0.133 54.105 54.000 -0.045 0.000 0.866 97 D CB 0.092 40.863 40.800 -0.049 0.000 0.913 97 D HN 0.183 nan 8.370 nan 0.000 0.523 98 K N 0.097 120.463 120.400 -0.057 0.000 3.096 98 K HA -0.232 4.102 4.320 0.022 0.000 0.266 98 K C 0.669 177.225 176.600 -0.073 0.000 1.043 98 K CA 0.183 56.434 56.287 -0.061 0.000 0.758 98 K CB -0.968 31.506 32.500 -0.043 0.000 1.260 98 K HN 0.221 nan 8.250 nan 0.000 0.481 99 R N -0.417 120.026 120.500 -0.094 0.000 2.317 99 R HA 0.166 4.519 4.340 0.022 0.000 0.208 99 R C 0.560 176.793 176.300 -0.112 0.000 0.914 99 R CA 0.623 56.667 56.100 -0.094 0.000 1.060 99 R CB 0.629 30.867 30.300 -0.105 0.000 1.015 99 R HN 0.276 nan 8.270 nan 0.000 0.498 100 A N 0.963 123.705 122.820 -0.131 0.000 2.365 100 A HA 0.681 5.014 4.320 0.022 0.000 0.318 100 A C -0.723 176.757 177.584 -0.173 0.000 1.091 100 A CA -0.800 51.165 52.037 -0.120 0.000 0.763 100 A CB 1.357 20.307 19.000 -0.084 0.000 1.248 100 A HN -0.026 nan 8.150 nan 0.000 0.442 101 R N 0.652 120.989 120.500 -0.271 0.000 2.686 101 R HA 0.736 5.089 4.340 0.022 0.000 0.286 101 R C -1.292 174.753 176.300 -0.424 0.000 0.969 101 R CA -0.383 55.355 56.100 -0.602 0.000 0.898 101 R CB 1.939 31.430 30.300 -1.348 0.000 1.183 101 R HN 0.731 nan 8.270 nan 0.000 0.456 102 T N 0.887 115.265 114.554 -0.293 0.000 2.848 102 T HA 0.657 5.020 4.350 0.022 0.000 0.285 102 T C -0.845 174.012 174.700 0.261 0.000 0.995 102 T CA -0.608 61.514 62.100 0.037 0.000 0.970 102 T CB 1.952 70.859 68.868 0.065 0.000 0.976 102 T HN 0.596 nan 8.240 nan 0.000 0.441 103 A N 2.934 125.977 122.820 0.372 0.000 2.303 103 A HA 0.619 4.952 4.320 0.022 0.000 0.320 103 A C -0.005 177.760 177.584 0.302 0.000 1.192 103 A CA -0.730 51.531 52.037 0.373 0.000 0.821 103 A CB 0.891 20.077 19.000 0.310 0.000 1.188 103 A HN 0.787 nan 8.150 nan 0.000 0.492 104 Q N 1.802 121.765 119.800 0.272 0.000 2.313 104 Q HA 0.393 4.747 4.340 0.022 0.000 0.266 104 Q C -0.046 176.032 176.000 0.130 0.000 0.989 104 Q CA 0.440 56.353 55.803 0.183 0.000 0.890 104 Q CB 0.474 29.166 28.738 -0.077 0.000 1.200 104 Q HN 0.824 nan 8.270 nan 0.000 0.396 105 T N 0.829 115.441 114.554 0.098 0.000 2.916 105 T HA 0.574 4.937 4.350 0.022 0.000 0.292 105 T C -2.674 171.966 174.700 -0.101 0.000 1.064 105 T CA -2.094 60.033 62.100 0.044 0.000 1.011 105 T CB 1.842 70.776 68.868 0.110 0.000 1.152 105 T HN 0.489 nan 8.240 nan 0.000 0.510 106 P HA 0.401 nan 4.420 nan 0.000 0.244 106 P C 0.715 177.945 177.300 -0.117 0.000 1.769 106 P CA 0.662 63.611 63.100 -0.252 0.000 1.102 106 P CB -0.581 30.855 31.700 -0.441 0.000 1.937 107 G N 2.436 111.204 108.800 -0.053 0.000 2.756 107 G HA2 -0.113 3.860 3.960 0.022 0.000 0.678 107 G HA3 -0.113 3.860 3.960 0.022 0.000 0.678 107 G C 0.816 175.717 174.900 0.002 0.000 1.349 107 G CA -0.487 44.605 45.100 -0.013 0.000 0.847 107 G HN 0.406 nan 8.290 nan 0.000 0.548 108 G N -1.455 107.334 108.800 -0.018 0.000 2.403 108 G HA2 0.139 4.112 3.960 0.022 0.000 0.216 108 G HA3 0.139 4.112 3.960 0.022 0.000 0.216 108 G C 1.830 176.751 174.900 0.035 0.000 1.154 108 G CA 2.306 47.391 45.100 -0.024 0.000 0.784 108 G HN 1.234 nan 8.290 nan 0.000 0.538 109 T N 1.080 115.673 114.554 0.066 0.000 2.746 109 T HA -0.055 4.309 4.350 0.022 0.000 0.267 109 T C 2.498 177.242 174.700 0.073 0.000 1.039 109 T CA 1.409 63.593 62.100 0.140 0.000 1.142 109 T CB -0.493 68.480 68.868 0.176 0.000 0.866 109 T HN 0.337 nan 8.240 nan 0.000 0.444 110 G N 1.053 109.877 108.800 0.039 0.000 2.422 110 G HA2 -0.051 3.922 3.960 0.022 0.000 0.218 110 G HA3 -0.051 3.922 3.960 0.022 0.000 0.218 110 G C 1.803 176.752 174.900 0.081 0.000 1.146 110 G CA 0.863 45.981 45.100 0.030 0.000 0.769 110 G HN 0.584 nan 8.290 nan 0.000 0.547 111 A N 0.361 123.232 122.820 0.085 0.000 1.969 111 A HA 0.157 4.490 4.320 0.022 0.000 0.218 111 A C 2.416 180.074 177.584 0.123 0.000 1.169 111 A CA 1.084 53.191 52.037 0.116 0.000 0.635 111 A CB -0.300 18.766 19.000 0.110 0.000 0.810 111 A HN 0.363 nan 8.150 nan 0.000 0.445 112 L N -1.162 120.120 121.223 0.098 0.000 2.027 112 L HA -0.159 4.194 4.340 0.022 0.000 0.206 112 L C 2.758 179.626 176.870 -0.002 0.000 1.074 112 L CA 1.658 56.534 54.840 0.060 0.000 0.745 112 L CB -0.422 41.649 42.059 0.020 0.000 0.898 112 L HN 0.394 nan 8.230 nan 0.000 0.433 113 R N 0.360 120.857 120.500 -0.004 0.000 2.083 113 R HA -0.138 4.215 4.340 0.022 0.000 0.237 113 R C 2.026 178.379 176.300 0.089 0.000 1.137 113 R CA 1.890 57.993 56.100 0.006 0.000 0.951 113 R CB -1.100 29.215 30.300 0.026 0.000 0.851 113 R HN 0.103 nan 8.270 nan 0.000 0.434 114 V N 1.084 121.075 119.914 0.129 0.000 2.287 114 V HA -0.270 3.863 4.120 0.022 0.000 0.248 114 V C 2.418 178.630 176.094 0.196 0.000 1.053 114 V CA 2.133 64.525 62.300 0.153 0.000 1.027 114 V CB -1.107 30.811 31.823 0.160 0.000 0.646 114 V HN 0.589 nan 8.190 nan 0.000 0.447 115 A N -0.213 122.735 122.820 0.214 0.000 1.902 115 A HA -0.135 4.198 4.320 0.022 0.000 0.217 115 A C 2.429 180.227 177.584 0.356 0.000 1.181 115 A CA 2.189 54.411 52.037 0.307 0.000 0.623 115 A CB -0.820 18.359 19.000 0.300 0.000 0.818 115 A HN 0.595 nan 8.150 nan 0.000 0.443 116 A N -0.095 122.902 122.820 0.295 0.000 1.902 116 A HA -0.188 4.145 4.320 0.022 0.000 0.217 116 A C 1.799 179.505 177.584 0.203 0.000 1.181 116 A CA 1.959 54.176 52.037 0.300 0.000 0.623 116 A CB -0.588 18.536 19.000 0.207 0.000 0.818 116 A HN 0.454 nan 8.150 nan 0.000 0.443 117 D N -1.190 119.313 120.400 0.171 0.000 2.117 117 D HA -0.106 4.547 4.640 0.022 0.000 0.198 117 D C 1.607 178.000 176.300 0.155 0.000 0.982 117 D CA 1.208 55.286 54.000 0.130 0.000 0.828 117 D CB -0.444 40.420 40.800 0.107 0.000 0.967 117 D HN 0.461 nan 8.370 nan 0.000 0.464 118 F N 1.414 121.405 119.950 0.068 0.000 2.102 118 F HA -0.131 4.410 4.527 0.023 0.000 0.298 118 F C 2.014 177.858 175.800 0.074 0.000 1.105 118 F CA 1.219 59.257 58.000 0.064 0.000 1.239 118 F CB -0.428 38.620 39.000 0.080 0.000 0.991 118 F HN -0.110 nan 8.300 nan 0.000 0.474 119 L N 0.076 121.258 121.223 -0.069 0.000 2.027 119 L HA -0.138 4.216 4.340 0.022 0.000 0.206 119 L C 2.775 179.564 176.870 -0.135 0.000 1.074 119 L CA 1.201 55.929 54.840 -0.187 0.000 0.745 119 L CB -1.240 40.846 42.059 0.045 0.000 0.898 119 L HN 0.246 nan 8.230 nan 0.000 0.433 120 A N -0.647 122.155 122.820 -0.030 0.000 2.121 120 A HA -0.110 4.224 4.320 0.022 0.000 0.218 120 A C 2.064 179.621 177.584 -0.046 0.000 1.154 120 A CA 1.215 53.240 52.037 -0.019 0.000 0.679 120 A CB -0.108 18.908 19.000 0.026 0.000 0.795 120 A HN 0.237 nan 8.150 nan 0.000 0.458 121 K N -0.837 119.518 120.400 -0.075 0.000 2.360 121 K HA 0.176 4.510 4.320 0.022 0.000 0.196 121 K C 0.071 176.607 176.600 -0.107 0.000 1.049 121 K CA 0.150 56.399 56.287 -0.064 0.000 1.049 121 K CB 0.337 32.822 32.500 -0.024 0.000 0.881 121 K HN 0.427 nan 8.250 nan 0.000 0.542 122 N N 0.979 119.546 118.700 -0.222 0.000 2.143 122 N HA 0.014 4.768 4.740 0.022 0.000 0.229 122 N C 0.073 175.441 175.510 -0.236 0.000 1.294 122 N CA 0.224 53.129 53.050 -0.242 0.000 0.883 122 N CB 1.677 39.955 38.487 -0.348 0.000 1.148 122 N HN 0.206 nan 8.380 nan 0.000 0.511 123 T N -2.592 111.839 114.554 -0.205 0.000 2.804 123 T HA 0.297 4.660 4.350 0.022 0.000 0.290 123 T C 0.797 175.458 174.700 -0.065 0.000 1.099 123 T CA -0.504 61.520 62.100 -0.126 0.000 1.011 123 T CB 1.453 70.238 68.868 -0.138 0.000 1.291 123 T HN -0.088 nan 8.240 nan 0.000 0.523 124 S N -0.536 115.147 115.700 -0.027 0.000 2.575 124 S HA 0.254 4.737 4.470 0.022 0.000 0.215 124 S C 0.654 175.255 174.600 0.003 0.000 0.966 124 S CA -0.473 57.723 58.200 -0.006 0.000 0.911 124 S CB -0.603 62.604 63.200 0.011 0.000 0.780 124 S HN 0.684 nan 8.310 nan 0.000 0.514 125 V N 3.116 123.027 119.914 -0.004 0.000 2.617 125 V HA 0.171 4.305 4.120 0.022 0.000 0.304 125 V C 0.370 176.462 176.094 -0.004 0.000 1.040 125 V CA 0.405 62.709 62.300 0.006 0.000 1.149 125 V CB 0.037 31.861 31.823 0.001 0.000 0.914 125 V HN 0.380 nan 8.190 nan 0.000 0.487 134 W N 4.265 125.397 121.300 -0.279 0.000 2.349 134 W HA 0.737 5.410 4.660 0.022 0.000 0.309 134 W C 0.013 176.459 176.519 -0.122 0.000 1.083 134 W CA -0.682 56.573 57.345 -0.150 0.000 1.224 134 W CB 1.852 31.237 29.460 -0.125 0.000 1.256 134 W HN 0.579 nan 8.180 nan 0.000 0.461 135 V N 1.132 121.026 119.914 -0.035 0.000 2.815 135 V HA 0.746 4.880 4.120 0.022 0.000 0.314 135 V C 0.330 176.058 176.094 -0.611 0.000 1.064 135 V CA -1.181 61.009 62.300 -0.184 0.000 0.952 135 V CB 1.144 32.910 31.823 -0.096 0.000 1.020 135 V HN 0.542 nan 8.190 nan 0.000 0.439 136 S N 2.280 117.554 115.700 -0.710 0.000 2.589 136 S HA 0.302 4.786 4.470 0.022 0.000 0.265 136 S C -0.082 174.314 174.600 -0.339 0.000 1.342 136 S CA 0.070 57.724 58.200 -0.909 0.000 1.005 136 S CB 0.345 63.222 63.200 -0.538 0.000 0.909 136 S HN 1.331 nan 8.310 nan 0.000 0.555 137 N N 1.890 120.488 118.700 -0.169 0.000 2.491 137 N HA 0.516 5.269 4.740 0.022 0.000 0.274 137 N C -2.723 172.900 175.510 0.188 0.000 1.023 137 N CA -1.881 51.187 53.050 0.030 0.000 0.902 137 N CB 1.777 40.289 38.487 0.043 0.000 1.267 137 N HN 0.475 nan 8.380 nan 0.000 0.503 138 P HA 0.341 nan 4.420 nan 0.000 0.279 138 P C -0.876 176.514 177.300 0.150 0.000 1.276 138 P CA -0.426 62.785 63.100 0.185 0.000 0.801 138 P CB 1.601 33.475 31.700 0.291 0.000 1.127 139 S N -1.151 114.628 115.700 0.133 0.000 2.596 139 S HA 0.362 4.845 4.470 0.022 0.000 0.270 139 S C -1.853 172.873 174.600 0.210 0.000 1.155 139 S CA -0.693 57.617 58.200 0.184 0.000 0.827 139 S CB 0.265 63.635 63.200 0.283 0.000 1.130 139 S HN 0.470 nan 8.310 nan 0.000 0.467 140 W N 5.615 126.926 121.300 0.017 0.000 2.613 140 W HA 0.249 4.922 4.660 0.022 0.000 0.342 140 W C -1.611 174.835 176.519 -0.120 0.000 1.416 140 W CA -1.482 55.771 57.345 -0.153 0.000 1.335 140 W CB 0.185 29.433 29.460 -0.354 0.000 1.396 140 W HN 0.559 nan 8.180 nan 0.000 0.572 141 P HA -0.370 nan 4.420 nan 0.000 0.218 141 P C 1.210 178.206 177.300 -0.507 0.000 1.152 141 P CA 2.388 65.308 63.100 -0.300 0.000 0.857 141 P CB 0.159 31.713 31.700 -0.243 0.000 0.787 142 N N -1.141 116.896 118.700 -1.104 0.000 2.443 142 N HA -0.159 4.595 4.740 0.022 0.000 0.184 142 N C 1.734 176.819 175.510 -0.708 0.000 1.037 142 N CA 0.795 53.173 53.050 -1.119 0.000 0.896 142 N CB -0.735 36.650 38.487 -1.836 0.000 0.959 142 N HN 0.357 nan 8.380 nan 0.000 0.442 143 H N -0.422 118.382 119.070 -0.444 0.000 2.290 143 H HA -0.099 4.470 4.556 0.023 0.000 0.298 143 H C 2.001 177.342 175.328 0.022 0.000 1.087 143 H CA 1.424 57.446 56.048 -0.043 0.000 1.291 143 H CB 0.130 30.013 29.762 0.202 0.000 1.369 143 H HN 0.144 nan 8.280 nan 0.000 0.492 144 K N 0.408 120.889 120.400 0.135 0.000 2.057 144 K HA -0.142 4.191 4.320 0.022 0.000 0.207 144 K C 2.368 178.982 176.600 0.022 0.000 1.049 144 K CA 1.543 57.889 56.287 0.098 0.000 0.931 144 K CB 0.079 32.589 32.500 0.016 0.000 0.714 144 K HN 0.144 nan 8.250 nan 0.000 0.440 145 S N 0.459 116.108 115.700 -0.086 0.000 2.359 145 S HA -0.142 4.342 4.470 0.022 0.000 0.224 145 S C 2.003 176.530 174.600 -0.122 0.000 1.035 145 S CA 1.489 59.621 58.200 -0.115 0.000 1.018 145 S CB -0.320 62.773 63.200 -0.178 0.000 0.876 145 S HN 0.110 nan 8.310 nan 0.000 0.448 146 V N 1.182 120.971 119.914 -0.209 0.000 2.295 146 V HA -0.169 3.964 4.120 0.022 0.000 0.246 146 V C 2.024 177.962 176.094 -0.260 0.000 1.049 146 V CA 1.770 63.901 62.300 -0.282 0.000 1.024 146 V CB -0.902 30.658 31.823 -0.440 0.000 0.648 146 V HN 0.376 nan 8.190 nan 0.000 0.447 147 F N 0.680 120.632 119.950 0.003 0.000 2.186 147 F HA -0.073 4.468 4.527 0.023 0.000 0.299 147 F C 2.230 178.017 175.800 -0.022 0.000 1.090 147 F CA 1.467 59.465 58.000 -0.004 0.000 1.307 147 F CB -1.062 37.926 39.000 -0.019 0.000 1.019 147 F HN 0.193 nan 8.300 nan 0.000 0.489 148 N N -0.204 118.569 118.700 0.122 0.000 2.166 148 N HA -0.179 4.574 4.740 0.022 0.000 0.186 148 N C 2.020 177.546 175.510 0.026 0.000 1.019 148 N CA 1.271 54.351 53.050 0.051 0.000 0.856 148 N CB -0.193 38.301 38.487 0.012 0.000 0.993 148 N HN 0.255 nan 8.380 nan 0.000 0.426 149 S N 0.661 116.364 115.700 0.004 0.000 2.419 149 S HA -0.086 4.397 4.470 0.022 0.000 0.235 149 S C 1.825 176.432 174.600 0.013 0.000 1.019 149 S CA 1.014 59.210 58.200 -0.007 0.000 0.982 149 S CB -0.199 62.982 63.200 -0.032 0.000 0.789 149 S HN 0.322 nan 8.310 nan 0.000 0.490 150 A N 0.428 123.271 122.820 0.038 0.000 2.251 150 A HA 0.587 4.920 4.320 0.022 0.000 0.209 150 A C 1.673 179.288 177.584 0.052 0.000 1.187 150 A CA 0.471 52.541 52.037 0.056 0.000 0.823 150 A CB -1.032 18.027 19.000 0.097 0.000 0.846 150 A HN 1.576 nan 8.150 nan 0.000 0.486 151 G N -1.313 107.512 108.800 0.041 0.000 2.141 151 G HA2 -0.203 3.771 3.960 0.022 0.000 0.242 151 G HA3 -0.203 3.771 3.960 0.022 0.000 0.242 151 G C 0.117 175.031 174.900 0.023 0.000 0.982 151 G CA 0.434 45.549 45.100 0.025 0.000 0.662 151 G HN 0.419 nan 8.290 nan 0.000 0.527 155 V N 2.727 122.530 119.914 -0.184 0.000 2.398 155 V HA 0.609 4.743 4.120 0.022 0.000 0.286 155 V C -0.094 175.788 176.094 -0.354 0.000 1.026 155 V CA -0.785 61.363 62.300 -0.254 0.000 0.868 155 V CB 1.232 32.987 31.823 -0.114 0.000 0.982 155 V HN 0.584 nan 8.190 nan 0.000 0.443 156 R N 2.786 122.925 120.500 -0.601 0.000 2.828 156 R HA 0.700 5.053 4.340 0.022 0.000 0.264 156 R C -0.563 175.475 176.300 -0.436 0.000 1.022 156 R CA -0.767 54.887 56.100 -0.744 0.000 1.021 156 R CB 1.907 31.178 30.300 -1.714 0.000 1.163 156 R HN 0.733 nan 8.270 nan 0.000 0.494 157 E N 0.925 121.012 120.200 -0.188 0.000 2.256 157 E HA 0.375 4.738 4.350 0.022 0.000 0.267 157 E C -1.141 175.638 176.600 0.298 0.000 0.892 157 E CA -0.818 55.583 56.400 0.002 0.000 0.775 157 E CB 2.134 31.809 29.700 -0.043 0.000 1.207 157 E HN 0.453 nan 8.360 nan 0.000 0.420 158 Y N -0.873 119.583 120.300 0.260 0.000 2.462 158 Y HA 0.723 5.286 4.550 0.022 0.000 0.346 158 Y C -0.242 175.764 175.900 0.177 0.000 0.976 158 Y CA -1.606 56.625 58.100 0.218 0.000 1.044 158 Y CB 0.674 39.211 38.460 0.129 0.000 1.230 158 Y HN 0.551 nan 8.280 nan 0.000 0.455 159 A N 2.479 125.492 122.820 0.322 0.000 2.555 159 A HA 0.230 4.564 4.320 0.022 0.000 0.233 159 A C -0.531 177.285 177.584 0.387 0.000 1.060 159 A CA 0.968 53.156 52.037 0.252 0.000 0.759 159 A CB -0.223 18.873 19.000 0.160 0.000 0.995 159 A HN 1.130 nan 8.150 nan 0.000 0.506 160 Y N 0.399 120.792 120.300 0.155 0.000 3.042 160 Y HA 0.194 4.758 4.550 0.023 0.000 0.230 160 Y C -0.266 175.723 175.900 0.148 0.000 1.107 160 Y CA 0.001 58.197 58.100 0.160 0.000 1.346 160 Y CB 0.077 38.604 38.460 0.111 0.000 1.421 160 Y HN 0.658 nan 8.280 nan 0.000 0.438 161 Y N 3.422 123.790 120.300 0.113 0.000 2.313 161 Y HA 0.355 4.918 4.550 0.023 0.000 0.332 161 Y C -0.396 175.508 175.900 0.006 0.000 1.071 161 Y CA -1.050 57.074 58.100 0.041 0.000 1.169 161 Y CB 0.627 39.210 38.460 0.206 0.000 1.192 161 Y HN 0.136 nan 8.280 nan 0.000 0.487 162 D N 5.355 125.382 120.400 -0.622 0.000 2.479 162 D HA 0.229 4.882 4.640 0.022 0.000 0.218 162 D C 0.746 176.512 176.300 -0.890 0.000 1.131 162 D CA 0.297 53.973 54.000 -0.541 0.000 0.916 162 D CB 1.085 41.657 40.800 -0.380 0.000 1.022 162 D HN 0.836 nan 8.370 nan 0.000 0.515 163 A N 4.122 126.566 122.820 -0.625 0.000 1.948 163 A HA -0.220 4.114 4.320 0.022 0.000 0.220 163 A C 1.906 179.158 177.584 -0.553 0.000 1.177 163 A CA 1.406 53.170 52.037 -0.456 0.000 0.636 163 A CB -0.196 18.732 19.000 -0.121 0.000 0.815 163 A HN 0.656 nan 8.150 nan 0.000 0.449 164 E N -0.788 119.132 120.200 -0.468 0.000 2.046 164 E HA -0.126 4.237 4.350 0.022 0.000 0.190 164 E C 1.209 177.461 176.600 -0.579 0.000 0.982 164 E CA 1.270 57.402 56.400 -0.447 0.000 0.800 164 E CB -0.125 29.417 29.700 -0.264 0.000 0.756 164 E HN 0.661 nan 8.360 nan 0.000 0.449 165 N N -0.352 118.050 118.700 -0.497 0.000 2.280 165 N HA -0.001 4.752 4.740 0.022 0.000 0.192 165 N C -0.906 174.397 175.510 -0.345 0.000 1.109 165 N CA 0.155 52.987 53.050 -0.362 0.000 0.855 165 N CB 0.402 38.765 38.487 -0.207 0.000 0.974 165 N HN 0.122 nan 8.380 nan 0.000 0.482 166 H N -0.672 118.158 119.070 -0.400 0.000 2.750 166 H HA -0.157 4.413 4.556 0.023 0.000 0.327 166 H C -0.184 175.049 175.328 -0.159 0.000 1.199 166 H CA 1.204 57.027 56.048 -0.376 0.000 1.149 166 H CB -1.865 27.526 29.762 -0.619 0.000 1.543 166 H HN 0.224 nan 8.280 nan 0.000 0.427 167 T N -0.762 113.671 114.554 -0.201 0.000 2.762 167 T HA 0.480 4.844 4.350 0.022 0.000 0.301 167 T C -0.566 174.036 174.700 -0.164 0.000 1.299 167 T CA -0.842 61.208 62.100 -0.083 0.000 1.005 167 T CB 1.887 70.711 68.868 -0.073 0.000 1.377 167 T HN 0.264 nan 8.240 nan 0.000 0.504 168 L N 2.671 123.806 121.223 -0.146 0.000 2.369 168 L HA 0.345 4.699 4.340 0.022 0.000 0.279 168 L C -0.118 176.657 176.870 -0.159 0.000 1.108 168 L CA -0.143 54.537 54.840 -0.267 0.000 0.852 168 L CB 0.453 42.347 42.059 -0.275 0.000 1.169 168 L HN 0.674 nan 8.230 nan 0.000 0.452 169 D N 4.754 125.057 120.400 -0.163 0.000 2.619 169 D HA -0.069 4.585 4.640 0.022 0.000 0.224 169 D C 1.036 177.342 176.300 0.010 0.000 1.133 169 D CA -0.145 53.814 54.000 -0.069 0.000 1.017 169 D CB 0.212 40.965 40.800 -0.078 0.000 1.077 169 D HN 0.521 nan 8.370 nan 0.000 0.503 170 F N 2.094 121.976 119.950 -0.113 0.000 2.115 170 F HA -0.269 4.271 4.527 0.022 0.000 0.300 170 F C 1.738 177.522 175.800 -0.026 0.000 1.092 170 F CA 1.576 59.533 58.000 -0.072 0.000 1.245 170 F CB 0.210 39.169 39.000 -0.069 0.000 0.995 170 F HN 0.290 nan 8.300 nan 0.000 0.481 171 D N 0.072 120.488 120.400 0.028 0.000 2.087 171 D HA -0.216 4.437 4.640 0.022 0.000 0.192 171 D C 2.388 178.642 176.300 -0.077 0.000 0.993 171 D CA 1.732 55.706 54.000 -0.042 0.000 0.828 171 D CB -0.789 40.016 40.800 0.008 0.000 0.968 171 D HN 0.357 nan 8.370 nan 0.000 0.448 172 A N 1.343 124.142 122.820 -0.035 0.000 1.948 172 A HA -0.171 4.162 4.320 0.022 0.000 0.220 172 A C 2.322 179.902 177.584 -0.005 0.000 1.177 172 A CA 1.053 53.084 52.037 -0.010 0.000 0.636 172 A CB -0.901 18.106 19.000 0.012 0.000 0.815 172 A HN 0.282 nan 8.150 nan 0.000 0.449 173 L N -0.385 120.819 121.223 -0.032 0.000 1.970 173 L HA -0.196 4.157 4.340 0.022 0.000 0.212 173 L C 2.295 179.085 176.870 -0.134 0.000 1.071 173 L CA 1.688 56.521 54.840 -0.012 0.000 0.751 173 L CB -0.286 41.738 42.059 -0.058 0.000 0.889 173 L HN 0.317 nan 8.230 nan 0.000 0.432 174 I N 0.418 120.827 120.570 -0.269 0.000 2.264 174 I HA -0.293 3.891 4.170 0.022 0.000 0.248 174 I C 2.199 178.252 176.117 -0.107 0.000 1.111 174 I CA 1.337 62.503 61.300 -0.224 0.000 1.382 174 I CB -1.639 36.183 38.000 -0.297 0.000 1.060 174 I HN 0.461 nan 8.210 nan 0.000 0.418 175 N N 0.775 119.427 118.700 -0.079 0.000 2.331 175 N HA -0.096 4.658 4.740 0.022 0.000 0.180 175 N C 1.913 177.410 175.510 -0.021 0.000 1.019 175 N CA 1.519 54.547 53.050 -0.036 0.000 0.881 175 N CB 0.041 38.517 38.487 -0.018 0.000 0.972 175 N HN 0.442 nan 8.380 nan 0.000 0.435 176 S N -0.135 115.555 115.700 -0.017 0.000 2.478 176 S HA 0.122 4.606 4.470 0.022 0.000 0.222 176 S C 1.766 176.263 174.600 -0.171 0.000 1.008 176 S CA -0.016 58.187 58.200 0.006 0.000 0.928 176 S CB 0.001 63.280 63.200 0.133 0.000 0.781 176 S HN 0.045 nan 8.310 nan 0.000 0.518 177 L N 2.750 123.825 121.223 -0.247 0.000 2.395 177 L HA 0.161 4.515 4.340 0.022 0.000 0.218 177 L C 1.841 178.597 176.870 -0.189 0.000 1.130 177 L CA 0.993 55.550 54.840 -0.471 0.000 0.826 177 L CB -1.741 40.073 42.059 -0.408 0.000 0.941 177 L HN 0.466 nan 8.230 nan 0.000 0.451 178 N N -0.157 118.508 118.700 -0.058 0.000 2.309 178 N HA -0.216 4.538 4.740 0.022 0.000 0.182 178 N C 1.405 176.911 175.510 -0.007 0.000 1.018 178 N CA 0.553 53.613 53.050 0.018 0.000 0.876 178 N CB 0.108 38.598 38.487 0.004 0.000 0.972 178 N HN 0.378 nan 8.380 nan 0.000 0.434 179 E N 0.758 120.915 120.200 -0.071 0.000 2.516 179 E HA 0.027 4.391 4.350 0.022 0.000 0.199 179 E C -0.354 176.250 176.600 0.006 0.000 1.069 179 E CA -0.242 56.165 56.400 0.012 0.000 0.876 179 E CB 0.187 29.953 29.700 0.110 0.000 0.843 179 E HN 0.247 nan 8.360 nan 0.000 0.530 180 A N 1.258 123.937 122.820 -0.235 0.000 2.289 180 A HA 0.251 4.584 4.320 0.022 0.000 0.298 180 A C -0.229 177.471 177.584 0.192 0.000 1.208 180 A CA -0.510 51.394 52.037 -0.223 0.000 0.845 180 A CB 0.620 18.977 19.000 -1.071 0.000 1.125 180 A HN 0.189 nan 8.150 nan 0.000 0.517 181 Q N 0.932 120.877 119.800 0.243 0.000 2.249 181 Q HA 0.549 4.902 4.340 0.022 0.000 0.226 181 Q C 0.305 176.473 176.000 0.280 0.000 0.983 181 Q CA -0.475 55.462 55.803 0.223 0.000 0.930 181 Q CB 1.048 29.890 28.738 0.172 0.000 1.193 181 Q HN 0.867 nan 8.270 nan 0.000 0.508 182 A N 0.186 123.114 122.820 0.180 0.000 2.488 182 A HA 0.462 4.796 4.320 0.022 0.000 0.249 182 A C 0.997 178.686 177.584 0.174 0.000 1.083 182 A CA 0.706 52.840 52.037 0.163 0.000 0.768 182 A CB -0.593 18.447 19.000 0.066 0.000 1.017 182 A HN 0.925 nan 8.150 nan 0.000 0.496 183 G N 1.951 110.875 108.800 0.206 0.000 2.218 183 G HA2 -0.161 3.812 3.960 0.022 0.000 0.216 183 G HA3 -0.161 3.812 3.960 0.022 0.000 0.216 183 G C -0.050 174.955 174.900 0.174 0.000 0.994 183 G CA 0.189 45.386 45.100 0.163 0.000 0.637 183 G HN 0.754 nan 8.290 nan 0.000 0.505 184 D N 0.357 120.895 120.400 0.231 0.000 2.313 184 D HA 0.517 5.171 4.640 0.022 0.000 0.247 184 D C 0.538 176.932 176.300 0.158 0.000 1.094 184 D CA -0.040 54.084 54.000 0.207 0.000 0.925 184 D CB 1.883 42.870 40.800 0.312 0.000 1.188 184 D HN 0.135 nan 8.370 nan 0.000 0.430 185 V N 1.754 121.720 119.914 0.087 0.000 2.481 185 V HA 0.294 4.428 4.120 0.022 0.000 0.286 185 V C 0.176 176.225 176.094 -0.075 0.000 1.042 185 V CA -0.633 61.669 62.300 0.002 0.000 0.928 185 V CB 1.797 33.572 31.823 -0.080 0.000 0.986 185 V HN 0.213 nan 8.190 nan 0.000 0.462 186 V N 6.147 125.939 119.914 -0.204 0.000 2.409 186 V HA 0.434 4.567 4.120 0.022 0.000 0.291 186 V C -0.262 175.469 176.094 -0.605 0.000 1.020 186 V CA -0.515 61.510 62.300 -0.458 0.000 0.848 186 V CB 1.701 33.038 31.823 -0.810 0.000 0.990 186 V HN 0.720 nan 8.190 nan 0.000 0.430 187 L N 5.474 126.391 121.223 -0.510 0.000 2.292 187 L HA 0.658 5.011 4.340 0.022 0.000 0.284 187 L C -1.344 175.203 176.870 -0.537 0.000 1.065 187 L CA 0.032 54.603 54.840 -0.449 0.000 0.806 187 L CB 0.756 42.631 42.059 -0.307 0.000 1.175 187 L HN 0.496 nan 8.230 nan 0.000 0.431 188 F N 2.670 122.483 119.950 -0.229 0.000 2.540 188 F HA 0.412 4.953 4.527 0.022 0.000 0.317 188 F C 0.082 175.938 175.800 0.094 0.000 1.104 188 F CA -0.666 57.263 58.000 -0.119 0.000 0.913 188 F CB 1.332 39.955 39.000 -0.629 0.000 1.170 188 F HN 0.381 nan 8.300 nan 0.000 0.450 189 H N 1.917 121.230 119.070 0.405 0.000 2.742 189 H HA 0.138 4.708 4.556 0.023 0.000 0.302 189 H C 1.051 176.737 175.328 0.597 0.000 1.069 189 H CA 0.242 56.542 56.048 0.421 0.000 1.446 189 H CB 1.521 31.480 29.762 0.330 0.000 1.462 189 H HN 0.971 nan 8.280 nan 0.000 0.499 190 G N 3.149 112.355 108.800 0.676 0.000 2.440 190 G HA2 -0.190 3.783 3.960 0.022 0.000 0.218 190 G HA3 -0.190 3.783 3.960 0.022 0.000 0.218 190 G C 0.591 175.876 174.900 0.642 0.000 1.154 190 G CA 1.203 46.629 45.100 0.544 0.000 0.767 190 G HN 0.773 nan 8.290 nan 0.000 0.552 191 C N -5.329 114.394 119.300 0.706 0.000 3.306 191 C HA 0.515 4.989 4.460 0.022 0.000 0.335 191 C C 0.439 175.710 174.990 0.468 0.000 1.382 191 C CA -0.936 58.428 59.018 0.578 0.000 1.254 191 C CB 0.678 28.723 27.740 0.508 0.000 1.555 191 C HN 0.923 nan 8.230 nan 0.000 0.463 192 C N 2.392 121.897 119.300 0.341 0.000 3.727 192 C HA -0.128 4.345 4.460 0.022 0.000 0.293 192 C C 0.647 175.756 174.990 0.198 0.000 1.339 192 C CA 1.173 60.293 59.018 0.169 0.000 2.150 192 C CB -3.343 24.373 27.740 -0.039 0.000 1.383 192 C HN 1.257 nan 8.230 nan 0.000 0.614 193 H N 1.787 120.986 119.070 0.216 0.000 3.140 193 H HA 0.011 4.581 4.556 0.023 0.000 0.316 193 H C 0.511 175.880 175.328 0.068 0.000 0.986 193 H CA 1.632 57.763 56.048 0.138 0.000 1.397 193 H CB 0.408 30.194 29.762 0.041 0.000 1.377 193 H HN 0.814 nan 8.280 nan 0.000 0.585 194 N N 6.094 124.613 118.700 -0.302 0.000 2.424 194 N HA 0.167 4.921 4.740 0.022 0.000 0.271 194 N C -2.046 173.276 175.510 -0.314 0.000 0.985 194 N CA -1.856 51.113 53.050 -0.134 0.000 0.921 194 N CB 1.537 40.045 38.487 0.035 0.000 1.149 194 N HN 0.440 nan 8.380 nan 0.000 0.492 195 P HA 0.065 nan 4.420 nan 0.000 0.275 195 P C 1.026 178.056 177.300 -0.450 0.000 1.310 195 P CA 0.271 63.145 63.100 -0.378 0.000 0.904 195 P CB 0.406 31.757 31.700 -0.582 0.000 1.381 196 T N -3.406 110.967 114.554 -0.303 0.000 2.867 196 T HA 0.050 4.414 4.350 0.022 0.000 0.268 196 T C 1.746 176.452 174.700 0.009 0.000 1.057 196 T CA 1.621 63.522 62.100 -0.332 0.000 1.136 196 T CB -1.426 67.299 68.868 -0.239 0.000 0.874 196 T HN 0.196 nan 8.240 nan 0.000 0.466 197 G N 1.106 109.999 108.800 0.154 0.000 2.159 197 G HA2 -0.168 3.806 3.960 0.022 0.000 0.256 197 G HA3 -0.168 3.806 3.960 0.022 0.000 0.256 197 G C -0.011 175.016 174.900 0.211 0.000 0.977 197 G CA 0.080 45.281 45.100 0.168 0.000 0.652 197 G HN 0.601 nan 8.290 nan 0.000 0.531 198 I N 1.821 122.532 120.570 0.235 0.000 2.321 198 I HA 0.420 4.604 4.170 0.022 0.000 0.291 198 I C -0.465 175.812 176.117 0.266 0.000 0.998 198 I CA -0.758 60.670 61.300 0.212 0.000 1.227 198 I CB 1.135 39.235 38.000 0.166 0.000 1.368 198 I HN -0.018 nan 8.210 nan 0.000 0.466 199 D N 7.738 128.281 120.400 0.237 0.000 2.340 199 D HA 0.550 5.204 4.640 0.022 0.000 0.243 199 D C -2.326 174.021 176.300 0.078 0.000 0.988 199 D CA -1.367 52.799 54.000 0.277 0.000 0.959 199 D CB 1.344 42.371 40.800 0.380 0.000 1.226 199 D HN 0.183 nan 8.370 nan 0.000 0.509 200 P HA 0.168 nan 4.420 nan 0.000 0.274 200 P C -0.007 177.138 177.300 -0.258 0.000 1.246 200 P CA -0.338 62.501 63.100 -0.434 0.000 0.795 200 P CB 0.420 31.435 31.700 -1.141 0.000 1.006 201 T N -0.993 113.435 114.554 -0.209 0.000 2.816 201 T HA 0.130 4.494 4.350 0.022 0.000 0.282 201 T C 1.048 175.807 174.700 0.098 0.000 0.993 201 T CA -0.547 61.538 62.100 -0.025 0.000 0.994 201 T CB 0.197 69.022 68.868 -0.072 0.000 1.025 201 T HN 0.171 nan 8.240 nan 0.000 0.529 202 L N 0.781 122.131 121.223 0.212 0.000 2.042 202 L HA -0.013 4.341 4.340 0.022 0.000 0.210 202 L C 2.522 179.519 176.870 0.212 0.000 1.076 202 L CA 1.823 56.845 54.840 0.302 0.000 0.749 202 L CB -1.191 40.982 42.059 0.191 0.000 0.893 202 L HN 0.858 nan 8.230 nan 0.000 0.432 203 E N -0.990 119.257 120.200 0.077 0.000 2.150 203 E HA -0.246 4.117 4.350 0.022 0.000 0.193 203 E C 2.103 178.692 176.600 -0.018 0.000 0.985 203 E CA 1.291 57.706 56.400 0.025 0.000 0.814 203 E CB -0.172 29.510 29.700 -0.030 0.000 0.752 203 E HN 0.688 nan 8.360 nan 0.000 0.466 204 Q N -0.294 119.417 119.800 -0.147 0.000 2.123 204 Q HA -0.134 4.220 4.340 0.022 0.000 0.199 204 Q C 1.794 177.832 176.000 0.064 0.000 0.966 204 Q CA 1.048 56.664 55.803 -0.313 0.000 0.845 204 Q CB -0.111 28.212 28.738 -0.692 0.000 0.907 204 Q HN 0.405 nan 8.270 nan 0.000 0.439 205 W N 1.367 122.746 121.300 0.130 0.000 2.355 205 W HA -0.202 4.472 4.660 0.023 0.000 0.309 205 W C 2.376 179.014 176.519 0.199 0.000 1.206 205 W CA 0.792 58.279 57.345 0.236 0.000 1.284 205 W CB 0.037 29.626 29.460 0.215 0.000 1.145 205 W HN 0.200 nan 8.180 nan 0.000 0.502 206 Q N -0.723 119.291 119.800 0.357 0.000 2.135 206 Q HA -0.188 4.166 4.340 0.022 0.000 0.204 206 Q C 1.989 178.061 176.000 0.119 0.000 0.981 206 Q CA 2.212 58.123 55.803 0.180 0.000 0.856 206 Q CB -0.581 28.229 28.738 0.121 0.000 0.902 206 Q HN 0.196 nan 8.270 nan 0.000 0.425 207 T N 1.015 115.667 114.554 0.163 0.000 2.821 207 T HA -0.073 4.290 4.350 0.022 0.000 0.267 207 T C 1.732 176.540 174.700 0.181 0.000 1.046 207 T CA 0.796 62.999 62.100 0.172 0.000 1.139 207 T CB -0.060 68.973 68.868 0.274 0.000 0.871 207 T HN 0.193 nan 8.240 nan 0.000 0.454 208 L N 0.506 121.888 121.223 0.265 0.000 2.179 208 L HA 0.064 4.418 4.340 0.022 0.000 0.208 208 L C 3.021 179.868 176.870 -0.039 0.000 1.096 208 L CA 0.860 55.866 54.840 0.276 0.000 0.779 208 L CB -0.620 41.721 42.059 0.470 0.000 0.922 208 L HN 0.228 nan 8.230 nan 0.000 0.443 209 A N -0.355 122.227 122.820 -0.396 0.000 1.930 209 A HA -0.222 4.111 4.320 0.022 0.000 0.217 209 A C 2.228 179.606 177.584 -0.344 0.000 1.175 209 A CA 1.368 52.857 52.037 -0.914 0.000 0.627 209 A CB -0.338 18.267 19.000 -0.659 0.000 0.815 209 A HN 0.433 nan 8.150 nan 0.000 0.443 210 Q N -1.203 118.485 119.800 -0.186 0.000 2.016 210 Q HA -0.123 4.230 4.340 0.022 0.000 0.200 210 Q C 2.112 178.009 176.000 -0.172 0.000 0.978 210 Q CA 1.391 57.103 55.803 -0.152 0.000 0.833 210 Q CB -0.334 28.353 28.738 -0.085 0.000 0.895 210 Q HN 0.548 nan 8.270 nan 0.000 0.427 211 L N 0.522 121.667 121.223 -0.130 0.000 2.081 211 L HA -0.216 4.137 4.340 0.022 0.000 0.212 211 L C 2.345 178.950 176.870 -0.441 0.000 1.080 211 L CA 1.842 56.555 54.840 -0.211 0.000 0.754 211 L CB -0.697 41.312 42.059 -0.083 0.000 0.893 211 L HN 0.092 nan 8.230 nan 0.000 0.433 212 S N -1.634 113.928 115.700 -0.231 0.000 2.368 212 S HA -0.138 4.345 4.470 0.022 0.000 0.224 212 S C 1.937 176.426 174.600 -0.186 0.000 1.029 212 S CA 1.403 59.536 58.200 -0.112 0.000 0.988 212 S CB -0.311 63.207 63.200 0.530 0.000 0.838 212 S HN 0.313 nan 8.310 nan 0.000 0.462 213 V N 1.711 121.478 119.914 -0.244 0.000 2.490 213 V HA -0.120 4.013 4.120 0.022 0.000 0.250 213 V C 2.398 178.334 176.094 -0.263 0.000 1.061 213 V CA 1.897 64.001 62.300 -0.327 0.000 1.064 213 V CB -0.689 30.894 31.823 -0.400 0.000 0.670 213 V HN 0.517 nan 8.190 nan 0.000 0.461 214 E N -0.177 119.846 120.200 -0.294 0.000 2.028 214 E HA -0.157 4.207 4.350 0.022 0.000 0.191 214 E C 2.201 178.612 176.600 -0.316 0.000 0.988 214 E CA 0.836 57.078 56.400 -0.264 0.000 0.799 214 E CB -0.101 29.452 29.700 -0.244 0.000 0.755 214 E HN 0.387 nan 8.360 nan 0.000 0.447 215 K N -0.369 119.708 120.400 -0.540 0.000 2.365 215 K HA -0.017 4.316 4.320 0.022 0.000 0.199 215 K C 1.050 177.382 176.600 -0.446 0.000 1.045 215 K CA 0.838 56.744 56.287 -0.636 0.000 0.962 215 K CB 0.164 31.869 32.500 -1.326 0.000 0.759 215 K HN 0.321 nan 8.250 nan 0.000 0.469 216 G N 1.648 110.253 108.800 -0.324 0.000 2.212 216 G HA2 -0.169 3.804 3.960 0.022 0.000 0.255 216 G HA3 -0.169 3.804 3.960 0.022 0.000 0.255 216 G C -0.390 174.586 174.900 0.128 0.000 1.062 216 G CA -0.170 44.891 45.100 -0.065 0.000 0.815 216 G HN 0.074 nan 8.290 nan 0.000 0.497 217 W N -1.226 120.153 121.300 0.133 0.000 2.283 217 W HA 0.700 5.374 4.660 0.022 0.000 0.341 217 W C 0.234 176.871 176.519 0.197 0.000 1.206 217 W CA -1.611 55.817 57.345 0.138 0.000 1.294 217 W CB 0.677 30.212 29.460 0.126 0.000 1.154 217 W HN 0.203 nan 8.180 nan 0.000 0.613 218 L N 4.762 126.220 121.223 0.392 0.000 2.276 218 L HA 0.466 4.820 4.340 0.022 0.000 0.286 218 L C -2.426 174.585 176.870 0.235 0.000 1.024 218 L CA -2.358 52.654 54.840 0.287 0.000 0.826 218 L CB 0.659 42.844 42.059 0.210 0.000 1.211 218 L HN -0.029 nan 8.230 nan 0.000 0.422 219 P HA 0.271 nan 4.420 nan 0.000 0.281 219 P C -1.395 176.000 177.300 0.159 0.000 1.252 219 P CA -0.324 62.905 63.100 0.214 0.000 0.778 219 P CB 1.077 32.971 31.700 0.324 0.000 0.895 220 L N 5.344 126.576 121.223 0.015 0.000 2.377 220 L HA 0.527 4.880 4.340 0.022 0.000 0.270 220 L C -1.616 175.254 176.870 0.000 0.000 0.991 220 L CA -0.668 54.218 54.840 0.076 0.000 0.851 220 L CB -0.084 42.005 42.059 0.050 0.000 1.218 220 L HN 0.103 nan 8.230 nan 0.000 0.420 221 F N 3.216 123.205 119.950 0.065 0.000 2.404 221 F HA 0.358 4.899 4.527 0.022 0.000 0.345 221 F C 0.631 176.476 175.800 0.074 0.000 1.110 221 F CA -0.182 57.845 58.000 0.045 0.000 1.130 221 F CB 1.084 40.015 39.000 -0.115 0.000 1.129 221 F HN 0.450 nan 8.300 nan 0.000 0.500 222 D N 4.019 124.561 120.400 0.237 0.000 2.412 222 D HA 0.121 4.775 4.640 0.022 0.000 0.224 222 D C -1.366 175.111 176.300 0.295 0.000 1.093 222 D CA -0.212 53.901 54.000 0.188 0.000 0.850 222 D CB 0.365 41.218 40.800 0.089 0.000 1.046 222 D HN 0.212 nan 8.370 nan 0.000 0.507 223 F N 3.553 123.526 119.950 0.039 0.000 2.366 223 F HA 0.480 5.022 4.527 0.024 0.000 0.357 223 F C 0.477 176.214 175.800 -0.105 0.000 1.107 223 F CA -1.195 56.811 58.000 0.011 0.000 1.208 223 F CB 0.824 39.803 39.000 -0.035 0.000 1.464 223 F HN 0.451 nan 8.300 nan 0.000 0.501 224 A N 3.135 125.869 122.820 -0.142 0.000 2.303 224 A HA 0.160 4.493 4.320 0.022 0.000 0.217 224 A C -0.017 177.118 177.584 -0.747 0.000 1.205 224 A CA 0.358 52.096 52.037 -0.499 0.000 0.875 224 A CB -0.277 18.319 19.000 -0.674 0.000 0.910 224 A HN 0.552 nan 8.150 nan 0.000 0.501 225 Y N -0.142 120.050 120.300 -0.181 0.000 2.715 225 Y HA 0.286 4.850 4.550 0.023 0.000 0.255 225 Y C 0.592 176.478 175.900 -0.025 0.000 1.139 225 Y CA -0.804 57.276 58.100 -0.033 0.000 1.151 225 Y CB -0.028 38.407 38.460 -0.041 0.000 1.201 225 Y HN 0.374 nan 8.280 nan 0.000 0.556 226 Q N 1.032 120.593 119.800 -0.398 0.000 2.247 226 Q HA 0.295 4.649 4.340 0.022 0.000 0.288 226 Q C 1.144 177.054 176.000 -0.149 0.000 1.079 226 Q CA 1.601 57.105 55.803 -0.499 0.000 0.932 226 Q CB 0.155 28.340 28.738 -0.923 0.000 1.133 226 Q HN 0.793 nan 8.270 nan 0.000 0.377 227 G N 3.353 112.092 108.800 -0.101 0.000 2.201 227 G HA2 -0.252 3.722 3.960 0.022 0.000 0.212 227 G HA3 -0.252 3.722 3.960 0.022 0.000 0.212 227 G C 0.141 174.850 174.900 -0.318 0.000 0.994 227 G CA 0.036 44.992 45.100 -0.240 0.000 0.644 227 G HN 0.659 nan 8.290 nan 0.000 0.508 228 F N 1.198 121.118 119.950 -0.050 0.000 2.749 228 F HA 0.584 5.123 4.527 0.021 0.000 0.300 228 F C 2.389 178.182 175.800 -0.012 0.000 1.103 228 F CA 1.119 59.098 58.000 -0.034 0.000 1.342 228 F CB 0.381 39.386 39.000 0.009 0.000 1.098 228 F HN 0.353 nan 8.300 nan 0.000 0.586 229 A N 0.496 123.415 122.820 0.166 0.000 1.922 229 A HA 0.179 4.512 4.320 0.022 0.000 0.216 229 A C 1.980 179.613 177.584 0.082 0.000 1.370 229 A CA 0.660 52.781 52.037 0.140 0.000 0.627 229 A CB -0.099 19.011 19.000 0.183 0.000 1.060 229 A HN 0.225 nan 8.150 nan 0.000 0.487 230 R N -2.152 118.387 120.500 0.066 0.000 2.383 230 R HA 0.427 4.780 4.340 0.022 0.000 0.205 230 R C 0.559 176.850 176.300 -0.015 0.000 0.875 230 R CA 0.657 56.776 56.100 0.032 0.000 1.039 230 R CB 1.215 31.548 30.300 0.056 0.000 1.267 230 R HN 0.692 nan 8.270 nan 0.000 0.635 234 E N 1.314 121.524 120.200 0.016 0.000 2.072 234 E HA -0.169 4.195 4.350 0.022 0.000 0.191 234 E C 1.630 178.253 176.600 0.039 0.000 0.985 234 E CA 1.554 57.971 56.400 0.028 0.000 0.801 234 E CB 0.127 29.836 29.700 0.015 0.000 0.750 234 E HN 0.435 nan 8.360 nan 0.000 0.452 235 E N 1.123 121.347 120.200 0.039 0.000 2.051 235 E HA -0.158 4.206 4.350 0.022 0.000 0.192 235 E C 1.604 178.260 176.600 0.094 0.000 0.991 235 E CA 1.269 57.703 56.400 0.057 0.000 0.799 235 E CB -0.171 29.561 29.700 0.053 0.000 0.748 235 E HN 0.163 nan 8.360 nan 0.000 0.449 236 D N -0.371 120.105 120.400 0.126 0.000 2.351 236 D HA -0.072 4.581 4.640 0.022 0.000 0.216 236 D C 1.167 177.632 176.300 0.274 0.000 0.968 236 D CA 1.086 55.220 54.000 0.224 0.000 0.899 236 D CB -0.034 40.901 40.800 0.226 0.000 0.907 236 D HN 0.233 nan 8.370 nan 0.000 0.514 237 A N 0.628 123.538 122.820 0.149 0.000 2.303 237 A HA 0.012 4.345 4.320 0.022 0.000 0.217 237 A C 1.807 179.265 177.584 -0.210 0.000 1.205 237 A CA -0.017 51.993 52.037 -0.046 0.000 0.875 237 A CB -0.185 18.820 19.000 0.009 0.000 0.910 237 A HN 0.264 nan 8.150 nan 0.000 0.501 238 E N -0.029 120.100 120.200 -0.118 0.000 2.267 238 E HA -0.115 4.248 4.350 0.022 0.000 0.197 238 E C 1.732 178.170 176.600 -0.271 0.000 0.998 238 E CA 1.045 57.371 56.400 -0.122 0.000 0.830 238 E CB -0.485 29.205 29.700 -0.016 0.000 0.751 238 E HN 0.387 nan 8.360 nan 0.000 0.491 239 G N 2.211 110.673 108.800 -0.563 0.000 2.434 239 G HA2 -0.246 3.727 3.960 0.022 0.000 0.214 239 G HA3 -0.246 3.727 3.960 0.022 0.000 0.214 239 G C 1.552 175.898 174.900 -0.923 0.000 1.202 239 G CA 0.834 45.185 45.100 -1.248 0.000 0.788 239 G HN 0.272 nan 8.290 nan 0.000 0.539 240 L N 0.633 121.202 121.223 -1.091 0.000 2.079 240 L HA 0.038 4.391 4.340 0.022 0.000 0.210 240 L C 2.714 179.242 176.870 -0.569 0.000 1.081 240 L CA 1.721 55.773 54.840 -1.313 0.000 0.752 240 L CB -0.434 40.756 42.059 -1.448 0.000 0.896 240 L HN 0.134 nan 8.230 nan 0.000 0.433 241 R N -0.635 119.657 120.500 -0.346 0.000 2.189 241 R HA 0.028 4.381 4.340 0.022 0.000 0.218 241 R C 2.215 178.504 176.300 -0.020 0.000 1.074 241 R CA 0.855 56.895 56.100 -0.100 0.000 0.991 241 R CB -0.415 29.848 30.300 -0.062 0.000 0.883 241 R HN 0.550 nan 8.270 nan 0.000 0.457 242 A N 0.411 123.221 122.820 -0.016 0.000 1.897 242 A HA -0.098 4.235 4.320 0.022 0.000 0.215 242 A C 1.707 179.395 177.584 0.173 0.000 1.181 242 A CA 0.933 53.023 52.037 0.088 0.000 0.620 242 A CB -0.382 18.704 19.000 0.143 0.000 0.821 242 A HN 0.153 nan 8.150 nan 0.000 0.443 243 F N 0.286 120.243 119.950 0.011 0.000 2.113 243 F HA -0.031 4.510 4.527 0.023 0.000 0.297 243 F C 2.770 178.690 175.800 0.200 0.000 1.103 243 F CA 0.931 59.043 58.000 0.186 0.000 1.248 243 F CB -0.588 38.513 39.000 0.169 0.000 0.999 243 F HN 0.240 nan 8.300 nan 0.000 0.475 244 A N -0.332 122.631 122.820 0.238 0.000 2.070 244 A HA -0.021 4.312 4.320 0.022 0.000 0.220 244 A C 2.312 179.946 177.584 0.083 0.000 1.159 244 A CA 1.495 53.616 52.037 0.141 0.000 0.656 244 A CB -1.136 17.915 19.000 0.085 0.000 0.800 244 A HN 0.305 nan 8.150 nan 0.000 0.453 245 A N -0.938 121.929 122.820 0.079 0.000 1.970 245 A HA 0.116 4.449 4.320 0.022 0.000 0.216 245 A C 2.037 179.632 177.584 0.018 0.000 1.170 245 A CA 1.486 53.541 52.037 0.031 0.000 0.645 245 A CB -0.294 18.720 19.000 0.023 0.000 0.816 245 A HN 0.512 nan 8.150 nan 0.000 0.447 246 M N -1.268 118.353 119.600 0.036 0.000 2.367 246 M HA 0.182 4.676 4.480 0.022 0.000 0.256 246 M C -0.111 176.118 176.300 -0.119 0.000 1.091 246 M CA 0.102 55.367 55.300 -0.058 0.000 1.049 246 M CB 0.336 32.858 32.600 -0.130 0.000 1.406 246 M HN 0.254 nan 8.290 nan 0.000 0.498 247 H N 0.082 119.173 119.070 0.035 0.000 2.472 247 H HA 0.194 4.764 4.556 0.023 0.000 0.335 247 H C 0.327 175.685 175.328 0.051 0.000 1.136 247 H CA -0.016 56.075 56.048 0.072 0.000 1.264 247 H CB 2.200 32.065 29.762 0.172 0.000 1.486 247 H HN -0.125 nan 8.280 nan 0.000 0.517 248 K N 1.207 121.698 120.400 0.152 0.000 2.098 248 K HA 0.015 4.349 4.320 0.022 0.000 0.203 248 K C -0.154 176.525 176.600 0.131 0.000 1.051 248 K CA 1.038 57.384 56.287 0.099 0.000 0.957 248 K CB 0.525 33.069 32.500 0.073 0.000 0.738 248 K HN 0.626 nan 8.250 nan 0.000 0.447 249 E N -0.342 119.980 120.200 0.204 0.000 2.293 249 E HA 0.485 4.849 4.350 0.022 0.000 0.270 249 E C -1.314 175.424 176.600 0.230 0.000 0.879 249 E CA -0.746 55.771 56.400 0.194 0.000 0.756 249 E CB 2.046 31.860 29.700 0.191 0.000 1.208 249 E HN -0.158 nan 8.360 nan 0.000 0.428 250 L N 1.562 122.905 121.223 0.201 0.000 2.600 250 L HA 0.598 4.951 4.340 0.022 0.000 0.257 250 L C -1.182 175.821 176.870 0.222 0.000 1.048 250 L CA -0.514 54.459 54.840 0.222 0.000 0.869 250 L CB 1.715 43.909 42.059 0.226 0.000 1.482 250 L HN 0.543 nan 8.230 nan 0.000 0.408 251 I N 0.905 121.622 120.570 0.245 0.000 2.548 251 I HA 0.523 4.706 4.170 0.022 0.000 0.287 251 I C -1.357 174.906 176.117 0.243 0.000 1.103 251 I CA -0.679 60.759 61.300 0.230 0.000 1.049 251 I CB 2.198 40.340 38.000 0.237 0.000 1.232 251 I HN 0.110 nan 8.210 nan 0.000 0.429 252 V N 4.893 124.928 119.914 0.202 0.000 2.448 252 V HA 0.679 4.813 4.120 0.022 0.000 0.295 252 V C 0.129 176.312 176.094 0.148 0.000 1.025 252 V CA -0.545 61.856 62.300 0.169 0.000 0.859 252 V CB 1.734 33.590 31.823 0.055 0.000 0.988 252 V HN 0.799 nan 8.190 nan 0.000 0.431 253 A N 3.982 126.900 122.820 0.164 0.000 2.277 253 A HA 0.798 5.131 4.320 0.022 0.000 0.318 253 A C 0.210 177.852 177.584 0.096 0.000 1.339 253 A CA -0.362 51.755 52.037 0.133 0.000 0.875 253 A CB 0.676 19.769 19.000 0.155 0.000 1.158 253 A HN 0.958 nan 8.150 nan 0.000 0.514 254 S N 1.441 117.160 115.700 0.032 0.000 2.664 254 S HA 0.868 5.351 4.470 0.022 0.000 0.304 254 S C -0.069 174.417 174.600 -0.189 0.000 1.099 254 S CA -0.487 57.667 58.200 -0.075 0.000 1.003 254 S CB 1.762 64.881 63.200 -0.135 0.000 1.092 254 S HN 1.165 nan 8.310 nan 0.000 0.525 255 S N -0.403 115.096 115.700 -0.335 0.000 2.570 255 S HA 0.650 5.133 4.470 0.022 0.000 0.286 255 S C -1.539 172.797 174.600 -0.440 0.000 1.099 255 S CA -0.581 57.436 58.200 -0.305 0.000 0.913 255 S CB 0.940 63.989 63.200 -0.252 0.000 1.085 255 S HN 0.710 nan 8.310 nan 0.000 0.480 256 Y N 1.483 121.755 120.300 -0.046 0.000 2.641 256 Y HA 0.321 4.887 4.550 0.027 0.000 0.248 256 Y C 2.098 177.974 175.900 -0.039 0.000 1.170 256 Y CA -0.230 57.877 58.100 0.011 0.000 1.201 256 Y CB 0.237 38.643 38.460 -0.090 0.000 1.232 256 Y HN 0.585 nan 8.280 nan 0.000 0.537 257 S N 0.271 115.945 115.700 -0.044 0.000 2.370 257 S HA -0.195 4.288 4.470 0.022 0.000 0.226 257 S C 1.780 176.057 174.600 -0.537 0.000 1.033 257 S CA 1.796 59.851 58.200 -0.241 0.000 1.011 257 S CB 0.034 63.158 63.200 -0.127 0.000 0.852 257 S HN 0.325 nan 8.310 nan 0.000 0.457 258 K N 1.986 122.238 120.400 -0.247 0.000 2.063 258 K HA 0.092 4.426 4.320 0.022 0.000 0.204 258 K C 1.526 178.277 176.600 0.252 0.000 1.039 258 K CA 1.115 57.354 56.287 -0.080 0.000 0.957 258 K CB -0.495 31.936 32.500 -0.115 0.000 0.764 258 K HN 0.405 nan 8.250 nan 0.000 0.447 259 N N -0.088 118.845 118.700 0.389 0.000 2.609 259 N HA -0.091 4.663 4.740 0.022 0.000 0.190 259 N C 0.501 176.139 175.510 0.214 0.000 1.157 259 N CA 0.940 54.147 53.050 0.262 0.000 0.918 259 N CB -0.203 38.402 38.487 0.197 0.000 0.978 259 N HN 0.135 nan 8.380 nan 0.000 0.448 260 F N -1.177 118.881 119.950 0.181 0.000 2.817 260 F HA 0.391 4.929 4.527 0.018 0.000 0.333 260 F C 1.515 177.317 175.800 0.005 0.000 1.085 260 F CA 0.009 58.090 58.000 0.134 0.000 1.170 260 F CB 0.623 39.615 39.000 -0.013 0.000 1.066 260 F HN 0.125 nan 8.300 nan 0.000 0.564 261 G N 1.652 110.457 108.800 0.008 0.000 2.246 261 G HA2 -0.299 3.675 3.960 0.022 0.000 0.273 261 G HA3 -0.299 3.675 3.960 0.022 0.000 0.273 261 G C 0.389 175.229 174.900 -0.100 0.000 1.055 261 G CA 0.339 45.370 45.100 -0.114 0.000 0.851 261 G HN 0.386 nan 8.290 nan 0.000 0.500 262 L N -0.375 120.734 121.223 -0.191 0.000 2.984 262 L HA 0.281 4.635 4.340 0.022 0.000 0.246 262 L C 2.116 178.960 176.870 -0.043 0.000 1.268 262 L CA -0.816 53.993 54.840 -0.051 0.000 1.054 262 L CB -0.343 41.700 42.059 -0.027 0.000 1.393 262 L HN 0.310 nan 8.230 nan 0.000 0.532 263 Y N 1.060 121.413 120.300 0.090 0.000 2.029 263 Y HA -0.391 4.172 4.550 0.021 0.000 0.269 263 Y C 2.430 178.355 175.900 0.041 0.000 1.201 263 Y CA 2.165 60.302 58.100 0.060 0.000 1.115 263 Y CB -0.792 37.706 38.460 0.063 0.000 0.945 263 Y HN 0.562 nan 8.280 nan 0.000 0.497 264 N N -0.297 118.540 118.700 0.229 0.000 2.521 264 N HA -0.092 4.661 4.740 0.022 0.000 0.188 264 N C 0.700 176.254 175.510 0.074 0.000 1.146 264 N CA 0.929 54.054 53.050 0.125 0.000 0.893 264 N CB -0.378 38.171 38.487 0.104 0.000 0.975 264 N HN 0.389 nan 8.380 nan 0.000 0.451 265 E N 0.559 120.799 120.200 0.066 0.000 2.479 265 E HA 0.061 4.424 4.350 0.022 0.000 0.193 265 E C -0.281 176.313 176.600 -0.010 0.000 1.049 265 E CA -0.126 56.295 56.400 0.036 0.000 0.870 265 E CB 0.119 29.847 29.700 0.046 0.000 0.944 265 E HN 0.172 nan 8.360 nan 0.000 0.492 266 R N 0.012 120.513 120.500 0.000 0.000 2.865 266 R HA -0.126 4.227 4.340 0.022 0.000 0.269 266 R C -0.757 175.509 176.300 -0.056 0.000 0.915 266 R CA 0.236 56.320 56.100 -0.026 0.000 0.715 266 R CB -2.951 27.316 30.300 -0.056 0.000 1.735 266 R HN -0.082 nan 8.270 nan 0.000 0.506 267 V N 0.883 120.784 119.914 -0.021 0.000 2.350 267 V HA 0.842 4.975 4.120 0.022 0.000 0.285 267 V C 1.086 177.277 176.094 0.161 0.000 1.014 267 V CA 0.046 62.350 62.300 0.006 0.000 0.831 267 V CB 2.021 33.831 31.823 -0.023 0.000 1.000 267 V HN 0.742 nan 8.190 nan 0.000 0.433 268 G N 2.855 111.758 108.800 0.170 0.000 2.827 268 G HA2 0.958 4.932 3.960 0.022 0.000 0.296 268 G HA3 0.958 4.932 3.960 0.022 0.000 0.296 268 G C -1.339 173.746 174.900 0.308 0.000 1.362 268 G CA -0.226 44.988 45.100 0.189 0.000 0.809 268 G HN 1.191 nan 8.290 nan 0.000 0.522 269 A N -1.836 121.107 122.820 0.205 0.000 2.594 269 A HA 0.589 4.923 4.320 0.022 0.000 0.296 269 A C -1.354 176.325 177.584 0.159 0.000 1.061 269 A CA -0.231 51.958 52.037 0.252 0.000 0.689 269 A CB 1.270 20.456 19.000 0.311 0.000 1.280 269 A HN 1.825 nan 8.150 nan 0.000 0.406 270 C N 1.995 121.404 119.300 0.182 0.000 2.316 270 C HA 0.795 5.269 4.460 0.022 0.000 0.324 270 C C 0.064 175.155 174.990 0.169 0.000 1.226 270 C CA 0.080 59.195 59.018 0.162 0.000 1.450 270 C CB -0.371 27.467 27.740 0.163 0.000 2.123 270 C HN 0.826 nan 8.230 nan 0.000 0.454 271 T N 6.399 121.038 114.554 0.141 0.000 2.795 271 T HA 0.532 4.895 4.350 0.022 0.000 0.282 271 T C -0.688 174.093 174.700 0.135 0.000 0.980 271 T CA -0.232 61.948 62.100 0.133 0.000 1.012 271 T CB 1.223 70.179 68.868 0.147 0.000 0.936 271 T HN 0.581 nan 8.240 nan 0.000 0.457 272 L N 4.836 126.108 121.223 0.083 0.000 2.322 272 L HA 0.716 5.070 4.340 0.022 0.000 0.281 272 L C -1.062 175.834 176.870 0.044 0.000 1.014 272 L CA -0.501 54.381 54.840 0.071 0.000 0.815 272 L CB 1.530 43.609 42.059 0.034 0.000 1.247 272 L HN 0.434 nan 8.230 nan 0.000 0.421 273 V N 4.580 124.540 119.914 0.076 0.000 2.540 273 V HA 0.946 5.080 4.120 0.022 0.000 0.302 273 V C 0.000 176.129 176.094 0.058 0.000 1.035 273 V CA -0.209 62.105 62.300 0.024 0.000 0.873 273 V CB 1.165 32.984 31.823 -0.006 0.000 0.992 273 V HN 0.977 nan 8.190 nan 0.000 0.428 274 A N 3.112 125.951 122.820 0.030 0.000 2.443 274 A HA 0.947 5.280 4.320 0.022 0.000 0.278 274 A C 1.133 178.735 177.584 0.030 0.000 1.252 274 A CA 0.098 52.170 52.037 0.058 0.000 0.816 274 A CB 1.128 20.171 19.000 0.070 0.000 1.369 274 A HN 1.140 nan 8.150 nan 0.000 0.446 275 A N -0.486 122.358 122.820 0.040 0.000 1.877 275 A HA 0.192 4.525 4.320 0.022 0.000 0.216 275 A C 0.613 178.199 177.584 0.004 0.000 1.186 275 A CA 2.380 54.431 52.037 0.023 0.000 0.620 275 A CB -0.773 18.244 19.000 0.029 0.000 0.822 275 A HN 1.023 nan 8.150 nan 0.000 0.443 276 D N -3.938 116.467 120.400 0.009 0.000 2.559 276 D HA 0.428 5.081 4.640 0.022 0.000 0.250 276 D C 0.687 176.986 176.300 -0.002 0.000 1.135 276 D CA 0.061 54.060 54.000 -0.001 0.000 0.955 276 D CB 0.703 41.506 40.800 0.005 0.000 1.442 276 D HN 0.031 nan 8.370 nan 0.000 0.471 277 S N -0.680 115.015 115.700 -0.010 0.000 2.382 277 S HA -0.237 4.247 4.470 0.022 0.000 0.228 277 S C 1.547 176.152 174.600 0.008 0.000 1.027 277 S CA 0.946 59.139 58.200 -0.012 0.000 0.991 277 S CB -0.512 62.678 63.200 -0.017 0.000 0.823 277 S HN 0.542 nan 8.310 nan 0.000 0.469 278 E N 1.642 121.851 120.200 0.015 0.000 2.049 278 E HA -0.154 4.210 4.350 0.022 0.000 0.198 278 E C 2.021 178.646 176.600 0.042 0.000 1.007 278 E CA 2.055 58.471 56.400 0.027 0.000 0.809 278 E CB -0.838 28.876 29.700 0.024 0.000 0.749 278 E HN 0.653 nan 8.360 nan 0.000 0.450 279 T N 0.886 115.467 114.554 0.044 0.000 2.737 279 T HA -0.111 4.252 4.350 0.022 0.000 0.265 279 T C 1.964 176.714 174.700 0.083 0.000 1.038 279 T CA 1.283 63.421 62.100 0.064 0.000 1.144 279 T CB -0.525 68.381 68.868 0.063 0.000 0.866 279 T HN 0.066 nan 8.240 nan 0.000 0.434 280 V N 1.935 121.885 119.914 0.060 0.000 2.332 280 V HA -0.227 3.906 4.120 0.022 0.000 0.248 280 V C 1.994 178.143 176.094 0.092 0.000 1.055 280 V CA 2.177 64.512 62.300 0.060 0.000 1.038 280 V CB -0.628 31.190 31.823 -0.008 0.000 0.651 280 V HN 0.399 nan 8.190 nan 0.000 0.450 281 D N -0.718 119.726 120.400 0.073 0.000 2.178 281 D HA -0.171 4.482 4.640 0.022 0.000 0.201 281 D C 2.311 178.706 176.300 0.158 0.000 0.980 281 D CA 1.382 55.451 54.000 0.115 0.000 0.842 281 D CB -0.194 40.650 40.800 0.073 0.000 0.948 281 D HN 0.411 nan 8.370 nan 0.000 0.472 282 R N 0.053 120.629 120.500 0.128 0.000 2.075 282 R HA 0.056 4.409 4.340 0.022 0.000 0.226 282 R C 2.046 178.446 176.300 0.167 0.000 1.114 282 R CA 1.162 57.338 56.100 0.126 0.000 0.972 282 R CB -0.091 30.269 30.300 0.101 0.000 0.869 282 R HN 0.118 nan 8.270 nan 0.000 0.437 283 A N 0.115 123.057 122.820 0.203 0.000 1.930 283 A HA -0.163 4.171 4.320 0.022 0.000 0.217 283 A C 1.916 179.637 177.584 0.228 0.000 1.175 283 A CA 0.979 53.193 52.037 0.295 0.000 0.627 283 A CB -0.678 18.521 19.000 0.332 0.000 0.815 283 A HN 0.469 nan 8.150 nan 0.000 0.443 284 F N 2.023 121.969 119.950 -0.008 0.000 2.171 284 F HA -0.178 4.361 4.527 0.021 0.000 0.300 284 F C 2.771 178.555 175.800 -0.027 0.000 1.090 284 F CA 1.525 59.478 58.000 -0.078 0.000 1.293 284 F CB -0.390 38.583 39.000 -0.044 0.000 1.013 284 F HN 0.347 nan 8.300 nan 0.000 0.486 285 S N -0.529 115.200 115.700 0.049 0.000 2.383 285 S HA -0.246 4.238 4.470 0.022 0.000 0.229 285 S C 1.892 176.459 174.600 -0.055 0.000 1.030 285 S CA 1.178 59.356 58.200 -0.035 0.000 1.002 285 S CB -0.669 62.556 63.200 0.041 0.000 0.829 285 S HN 0.446 nan 8.310 nan 0.000 0.467 286 Q N 0.516 120.347 119.800 0.053 0.000 2.172 286 Q HA 0.127 4.480 4.340 0.022 0.000 0.200 286 Q C 2.105 178.168 176.000 0.105 0.000 0.964 286 Q CA 1.187 57.064 55.803 0.124 0.000 0.855 286 Q CB -0.449 28.454 28.738 0.276 0.000 0.918 286 Q HN 0.749 nan 8.270 nan 0.000 0.444 287 M N 0.270 119.837 119.600 -0.054 0.000 2.175 287 M HA -0.134 4.360 4.480 0.022 0.000 0.264 287 M C 1.663 177.791 176.300 -0.287 0.000 1.063 287 M CA 1.383 56.553 55.300 -0.217 0.000 1.119 287 M CB 0.147 32.427 32.600 -0.533 0.000 1.377 287 M HN -0.040 nan 8.290 nan 0.000 0.415 288 K N 0.034 120.181 120.400 -0.423 0.000 2.148 288 K HA -0.042 4.291 4.320 0.022 0.000 0.204 288 K C 1.935 178.406 176.600 -0.216 0.000 1.050 288 K CA 1.160 57.221 56.287 -0.376 0.000 0.942 288 K CB -0.140 32.118 32.500 -0.403 0.000 0.724 288 K HN 0.423 nan 8.250 nan 0.000 0.446 289 A N 1.463 124.198 122.820 -0.141 0.000 1.930 289 A HA -0.071 4.263 4.320 0.022 0.000 0.217 289 A C 2.337 179.872 177.584 -0.083 0.000 1.175 289 A CA 1.664 53.648 52.037 -0.089 0.000 0.627 289 A CB -0.507 18.470 19.000 -0.038 0.000 0.815 289 A HN 0.307 nan 8.150 nan 0.000 0.443 290 A N -0.155 122.634 122.820 -0.053 0.000 1.972 290 A HA -0.046 4.287 4.320 0.022 0.000 0.219 290 A C 2.063 179.580 177.584 -0.112 0.000 1.169 290 A CA 1.490 53.508 52.037 -0.030 0.000 0.635 290 A CB -0.528 18.505 19.000 0.056 0.000 0.810 290 A HN 0.508 nan 8.150 nan 0.000 0.446 291 I N -1.354 119.100 120.570 -0.194 0.000 2.406 291 I HA -0.142 4.041 4.170 0.022 0.000 0.249 291 I C 2.561 178.414 176.117 -0.440 0.000 1.122 291 I CA 1.188 62.255 61.300 -0.388 0.000 1.431 291 I CB -0.203 37.569 38.000 -0.380 0.000 1.087 291 I HN 0.265 nan 8.210 nan 0.000 0.424 292 R N 1.685 122.019 120.500 -0.277 0.000 2.105 292 R HA -0.147 4.206 4.340 0.022 0.000 0.239 292 R C 1.849 178.039 176.300 -0.183 0.000 1.135 292 R CA 2.041 58.008 56.100 -0.221 0.000 0.967 292 R CB -0.751 29.456 30.300 -0.156 0.000 0.861 292 R HN 0.387 nan 8.270 nan 0.000 0.442 293 V N -1.067 118.759 119.914 -0.147 0.000 3.649 293 V HA 0.193 4.327 4.120 0.022 0.000 0.275 293 V C 1.426 177.467 176.094 -0.088 0.000 1.281 293 V CA 0.835 63.077 62.300 -0.096 0.000 1.143 293 V CB -0.244 31.543 31.823 -0.060 0.000 0.892 293 V HN 0.238 nan 8.190 nan 0.000 0.441 294 N N 1.871 120.479 118.700 -0.154 0.000 2.531 294 N HA 0.071 4.824 4.740 0.022 0.000 0.223 294 N C 1.453 176.951 175.510 -0.020 0.000 1.023 294 N CA 1.837 54.838 53.050 -0.081 0.000 1.124 294 N CB 0.120 38.557 38.487 -0.084 0.000 1.427 294 N HN 0.666 nan 8.380 nan 0.000 0.558 295 Y N -1.815 118.479 120.300 -0.010 0.000 2.527 295 Y HA 0.556 5.120 4.550 0.023 0.000 0.247 295 Y C 1.304 177.197 175.900 -0.013 0.000 1.138 295 Y CA 0.427 58.524 58.100 -0.005 0.000 1.228 295 Y CB 0.007 38.467 38.460 0.001 0.000 1.252 295 Y HN 0.124 nan 8.280 nan 0.000 0.531 296 S N 0.680 116.191 115.700 -0.315 0.000 1.480 296 S HA -0.248 4.235 4.470 0.022 0.000 0.244 296 S C 0.304 174.801 174.600 -0.171 0.000 0.702 296 S CA 1.647 59.715 58.200 -0.219 0.000 1.288 296 S CB -1.829 61.300 63.200 -0.117 0.000 1.411 296 S HN 1.263 nan 8.310 nan 0.000 0.505 297 S N 1.955 117.691 115.700 0.060 0.000 2.537 297 S HA 0.743 5.226 4.470 0.022 0.000 0.270 297 S C -3.269 171.540 174.600 0.349 0.000 1.142 297 S CA -0.870 57.423 58.200 0.155 0.000 0.870 297 S CB 2.500 65.763 63.200 0.104 0.000 1.112 297 S HN 0.579 nan 8.310 nan 0.000 0.466 298 P HA 0.381 nan 4.420 nan 0.000 0.274 298 P C -2.726 174.586 177.300 0.020 0.000 1.231 298 P CA -1.433 61.735 63.100 0.113 0.000 0.790 298 P CB -0.491 31.237 31.700 0.046 0.000 0.951 299 P HA 0.093 nan 4.420 nan 0.000 0.276 299 P C 0.344 177.597 177.300 -0.078 0.000 1.235 299 P CA -0.046 63.028 63.100 -0.044 0.000 0.772 299 P CB 0.833 32.498 31.700 -0.059 0.000 0.871 300 A N 3.302 126.094 122.820 -0.047 0.000 1.874 300 A HA -0.185 4.149 4.320 0.022 0.000 0.214 300 A C 2.160 179.696 177.584 -0.080 0.000 1.189 300 A CA 1.537 53.529 52.037 -0.075 0.000 0.615 300 A CB -1.730 17.248 19.000 -0.037 0.000 0.830 300 A HN 0.661 nan 8.150 nan 0.000 0.443 301 H N -0.034 118.972 119.070 -0.106 0.000 2.272 301 H HA -0.204 4.352 4.556 -0.001 0.000 0.289 301 H C 2.173 177.425 175.328 -0.127 0.000 1.100 301 H CA 2.607 58.597 56.048 -0.097 0.000 1.209 301 H CB -0.698 29.021 29.762 -0.071 0.000 1.348 301 H HN 0.365 nan 8.280 nan 0.000 0.481 302 G N -0.643 108.071 108.800 -0.144 0.000 2.446 302 G HA2 -0.252 3.722 3.960 0.022 0.000 0.217 302 G HA3 -0.252 3.722 3.960 0.022 0.000 0.217 302 G C 1.898 176.589 174.900 -0.348 0.000 1.168 302 G CA 1.296 46.258 45.100 -0.231 0.000 0.771 302 G HN 0.664 nan 8.290 nan 0.000 0.551 303 A N 0.247 122.823 122.820 -0.407 0.000 1.929 303 A HA 0.073 4.406 4.320 0.022 0.000 0.216 303 A C 2.603 179.966 177.584 -0.368 0.000 1.176 303 A CA 2.101 53.768 52.037 -0.616 0.000 0.628 303 A CB -0.706 17.685 19.000 -1.015 0.000 0.816 303 A HN 0.399 nan 8.150 nan 0.000 0.444 304 S N -0.534 114.993 115.700 -0.289 0.000 2.370 304 S HA -0.139 4.344 4.470 0.022 0.000 0.226 304 S C 1.929 176.401 174.600 -0.213 0.000 1.033 304 S CA 1.667 59.751 58.200 -0.193 0.000 1.011 304 S CB -0.470 62.638 63.200 -0.154 0.000 0.852 304 S HN 0.302 nan 8.310 nan 0.000 0.457 305 V N 1.413 121.139 119.914 -0.313 0.000 2.255 305 V HA -0.154 3.979 4.120 0.022 0.000 0.247 305 V C 2.473 178.361 176.094 -0.344 0.000 1.051 305 V CA 1.963 64.083 62.300 -0.300 0.000 1.018 305 V CB -0.803 30.815 31.823 -0.341 0.000 0.641 305 V HN 0.422 nan 8.190 nan 0.000 0.445 306 V N 0.326 119.930 119.914 -0.516 0.000 2.282 306 V HA -0.331 3.803 4.120 0.022 0.000 0.249 306 V C 2.717 178.519 176.094 -0.487 0.000 1.057 306 V CA 2.299 64.113 62.300 -0.810 0.000 1.032 306 V CB -1.284 29.897 31.823 -1.070 0.000 0.645 306 V HN 0.585 nan 8.190 nan 0.000 0.447 307 A N -0.434 122.242 122.820 -0.240 0.000 1.908 307 A HA -0.255 4.078 4.320 0.022 0.000 0.218 307 A C 2.396 179.888 177.584 -0.152 0.000 1.181 307 A CA 2.638 54.588 52.037 -0.145 0.000 0.627 307 A CB -1.087 17.903 19.000 -0.016 0.000 0.818 307 A HN 0.520 nan 8.150 nan 0.000 0.445 308 T N 0.263 114.731 114.554 -0.143 0.000 2.720 308 T HA -0.122 4.241 4.350 0.022 0.000 0.268 308 T C 1.797 176.401 174.700 -0.160 0.000 1.037 308 T CA 1.617 63.636 62.100 -0.134 0.000 1.144 308 T CB -0.406 68.403 68.868 -0.097 0.000 0.864 308 T HN 0.432 nan 8.240 nan 0.000 0.444 309 I N 0.505 120.974 120.570 -0.168 0.000 2.163 309 I HA -0.097 4.086 4.170 0.022 0.000 0.240 309 I C 2.250 178.294 176.117 -0.122 0.000 1.081 309 I CA 1.171 62.395 61.300 -0.127 0.000 1.353 309 I CB -0.333 37.608 38.000 -0.098 0.000 1.054 309 I HN 0.170 nan 8.210 nan 0.000 0.407 310 L N 0.373 121.485 121.223 -0.185 0.000 2.191 310 L HA -0.181 4.172 4.340 0.022 0.000 0.212 310 L C 2.453 179.272 176.870 -0.086 0.000 1.103 310 L CA 1.540 56.294 54.840 -0.143 0.000 0.769 310 L CB -0.515 41.416 42.059 -0.215 0.000 0.908 310 L HN 0.383 nan 8.230 nan 0.000 0.438 311 S N -2.158 113.483 115.700 -0.097 0.000 2.548 311 S HA 0.013 4.496 4.470 0.022 0.000 0.215 311 S C 0.784 175.342 174.600 -0.069 0.000 0.976 311 S CA -0.408 57.749 58.200 -0.072 0.000 0.908 311 S CB -0.195 62.963 63.200 -0.070 0.000 0.781 311 S HN 0.343 nan 8.310 nan 0.000 0.519 312 N N 1.458 120.108 118.700 -0.083 0.000 2.424 312 N HA 0.194 4.947 4.740 0.022 0.000 0.271 312 N C -0.484 174.999 175.510 -0.046 0.000 0.985 312 N CA -0.151 52.847 53.050 -0.086 0.000 0.921 312 N CB 1.639 40.043 38.487 -0.139 0.000 1.149 312 N HN -0.084 nan 8.380 nan 0.000 0.492 313 D N 3.176 123.556 120.400 -0.034 0.000 2.104 313 D HA -0.137 4.516 4.640 0.022 0.000 0.194 313 D C 1.609 177.905 176.300 -0.007 0.000 0.994 313 D CA 1.517 55.509 54.000 -0.013 0.000 0.830 313 D CB -0.104 40.688 40.800 -0.014 0.000 0.959 313 D HN 0.716 nan 8.370 nan 0.000 0.452 314 A N 0.679 123.487 122.820 -0.019 0.000 1.841 314 A HA -0.170 4.163 4.320 0.022 0.000 0.216 314 A C 2.180 179.764 177.584 -0.001 0.000 1.199 314 A CA 1.149 53.178 52.037 -0.014 0.000 0.621 314 A CB -0.937 18.048 19.000 -0.024 0.000 0.835 314 A HN 0.180 nan 8.150 nan 0.000 0.445 315 L N -0.241 120.975 121.223 -0.012 0.000 2.079 315 L HA -0.147 4.206 4.340 0.022 0.000 0.210 315 L C 2.575 179.489 176.870 0.073 0.000 1.081 315 L CA 2.260 57.107 54.840 0.011 0.000 0.752 315 L CB -0.832 41.207 42.059 -0.033 0.000 0.896 315 L HN 0.554 nan 8.230 nan 0.000 0.433 316 R N -0.887 119.656 120.500 0.071 0.000 2.148 316 R HA -0.116 4.237 4.340 0.022 0.000 0.227 316 R C 2.124 178.528 176.300 0.174 0.000 1.103 316 R CA 1.162 57.363 56.100 0.167 0.000 0.983 316 R CB -0.106 30.265 30.300 0.119 0.000 0.874 316 R HN 0.353 nan 8.270 nan 0.000 0.451 317 A N 0.860 123.724 122.820 0.073 0.000 1.897 317 A HA -0.052 4.282 4.320 0.022 0.000 0.215 317 A C 2.079 179.661 177.584 -0.003 0.000 1.181 317 A CA 1.051 53.100 52.037 0.019 0.000 0.620 317 A CB -0.341 18.658 19.000 -0.000 0.000 0.821 317 A HN 0.328 nan 8.150 nan 0.000 0.443 318 I N -2.188 118.397 120.570 0.025 0.000 2.179 318 I HA -0.263 3.921 4.170 0.022 0.000 0.242 318 I C 2.445 178.564 176.117 0.004 0.000 1.088 318 I CA 1.653 62.958 61.300 0.009 0.000 1.357 318 I CB -0.380 37.638 38.000 0.030 0.000 1.051 318 I HN 0.730 nan 8.210 nan 0.000 0.409 319 W N 2.390 123.613 121.300 -0.128 0.000 2.355 319 W HA -0.193 4.480 4.660 0.023 0.000 0.309 319 W C 2.358 178.725 176.519 -0.252 0.000 1.206 319 W CA 1.536 58.754 57.345 -0.212 0.000 1.284 319 W CB -0.333 28.979 29.460 -0.247 0.000 1.145 319 W HN 0.056 nan 8.180 nan 0.000 0.502 320 E N -0.267 119.642 120.200 -0.486 0.000 2.085 320 E HA -0.341 4.023 4.350 0.022 0.000 0.194 320 E C 2.028 178.299 176.600 -0.548 0.000 0.994 320 E CA 1.702 57.661 56.400 -0.735 0.000 0.801 320 E CB -0.377 29.107 29.700 -0.360 0.000 0.743 320 E HN 0.215 nan 8.360 nan 0.000 0.453 321 Q N 1.198 120.800 119.800 -0.330 0.000 2.079 321 Q HA -0.170 4.183 4.340 0.022 0.000 0.200 321 Q C 1.572 177.401 176.000 -0.285 0.000 0.974 321 Q CA 1.584 57.237 55.803 -0.251 0.000 0.840 321 Q CB 0.007 28.655 28.738 -0.150 0.000 0.898 321 Q HN 0.302 nan 8.270 nan 0.000 0.430 322 E N -0.160 119.855 120.200 -0.309 0.000 2.106 322 E HA -0.153 4.210 4.350 0.022 0.000 0.192 322 E C 2.020 178.361 176.600 -0.430 0.000 0.984 322 E CA 0.875 57.103 56.400 -0.287 0.000 0.806 322 E CB -0.198 29.378 29.700 -0.207 0.000 0.750 322 E HN 0.365 nan 8.360 nan 0.000 0.458 323 L N 0.933 121.750 121.223 -0.677 0.000 2.056 323 L HA -0.164 4.189 4.340 0.022 0.000 0.207 323 L C 2.294 178.804 176.870 -0.600 0.000 1.078 323 L CA 1.277 55.643 54.840 -0.791 0.000 0.749 323 L CB -0.263 41.113 42.059 -1.138 0.000 0.901 323 L HN 0.156 nan 8.230 nan 0.000 0.433 324 T N -0.594 113.673 114.554 -0.478 0.000 2.788 324 T HA -0.180 4.183 4.350 0.022 0.000 0.268 324 T C 1.364 175.918 174.700 -0.243 0.000 1.044 324 T CA 1.482 63.384 62.100 -0.329 0.000 1.139 324 T CB -0.239 68.474 68.868 -0.259 0.000 0.867 324 T HN 0.388 nan 8.240 nan 0.000 0.454 325 D N 0.844 121.108 120.400 -0.226 0.000 2.144 325 D HA 0.003 4.656 4.640 0.022 0.000 0.199 325 D C 2.047 178.274 176.300 -0.120 0.000 0.984 325 D CA 0.941 54.859 54.000 -0.137 0.000 0.834 325 D CB -0.231 40.506 40.800 -0.104 0.000 0.955 325 D HN 0.398 nan 8.370 nan 0.000 0.465 326 M N -0.061 119.387 119.600 -0.253 0.000 2.099 326 M HA -0.104 4.389 4.480 0.022 0.000 0.262 326 M C 2.348 178.588 176.300 -0.099 0.000 1.067 326 M CA 1.067 56.182 55.300 -0.308 0.000 1.124 326 M CB -0.070 32.129 32.600 -0.668 0.000 1.353 326 M HN -0.121 nan 8.290 nan 0.000 0.410 327 R N 0.495 120.872 120.500 -0.204 0.000 2.073 327 R HA -0.190 4.163 4.340 0.022 0.000 0.234 327 R C 2.049 178.344 176.300 -0.009 0.000 1.134 327 R CA 1.856 57.902 56.100 -0.091 0.000 0.952 327 R CB -0.140 30.043 30.300 -0.196 0.000 0.850 327 R HN 0.458 nan 8.270 nan 0.000 0.433 328 Q N -0.465 119.311 119.800 -0.040 0.000 2.167 328 Q HA -0.152 4.202 4.340 0.022 0.000 0.202 328 Q C 2.192 178.209 176.000 0.028 0.000 0.970 328 Q CA 1.257 57.054 55.803 -0.010 0.000 0.855 328 Q CB -0.092 28.627 28.738 -0.031 0.000 0.911 328 Q HN 0.298 nan 8.270 nan 0.000 0.438 329 R N 0.739 121.276 120.500 0.062 0.000 2.092 329 R HA -0.106 4.248 4.340 0.022 0.000 0.231 329 R C 2.024 178.377 176.300 0.089 0.000 1.119 329 R CA 1.029 57.184 56.100 0.092 0.000 0.970 329 R CB -0.071 30.331 30.300 0.171 0.000 0.864 329 R HN 0.253 nan 8.270 nan 0.000 0.440 330 I N 0.651 121.295 120.570 0.123 0.000 2.315 330 I HA -0.265 3.918 4.170 0.022 0.000 0.248 330 I C 2.200 178.346 176.117 0.049 0.000 1.117 330 I CA 1.275 62.628 61.300 0.088 0.000 1.404 330 I CB -0.242 37.832 38.000 0.124 0.000 1.071 330 I HN 0.275 nan 8.210 nan 0.000 0.419 331 Q N 0.182 120.012 119.800 0.050 0.000 2.224 331 Q HA -0.185 4.169 4.340 0.022 0.000 0.203 331 Q C 2.260 178.279 176.000 0.032 0.000 0.970 331 Q CA 1.047 56.872 55.803 0.038 0.000 0.865 331 Q CB -0.066 28.691 28.738 0.030 0.000 0.922 331 Q HN 0.317 nan 8.270 nan 0.000 0.445 332 R N 0.373 120.891 120.500 0.030 0.000 2.061 332 R HA -0.008 4.345 4.340 0.022 0.000 0.230 332 R C 2.146 178.463 176.300 0.028 0.000 1.140 332 R CA 1.358 57.473 56.100 0.025 0.000 0.940 332 R CB -0.274 30.039 30.300 0.022 0.000 0.839 332 R HN 0.190 nan 8.270 nan 0.000 0.429 333 M N 0.320 119.933 119.600 0.022 0.000 2.202 333 M HA -0.148 4.346 4.480 0.022 0.000 0.262 333 M C 1.984 178.313 176.300 0.048 0.000 1.063 333 M CA 1.545 56.855 55.300 0.016 0.000 1.097 333 M CB -0.798 31.785 32.600 -0.028 0.000 1.382 333 M HN 0.118 nan 8.290 nan 0.000 0.413 334 R N -0.446 120.081 120.500 0.045 0.000 2.081 334 R HA -0.132 4.222 4.340 0.022 0.000 0.235 334 R C 2.374 178.732 176.300 0.097 0.000 1.131 334 R CA 1.027 57.175 56.100 0.080 0.000 0.960 334 R CB -0.125 30.208 30.300 0.056 0.000 0.856 334 R HN 0.432 nan 8.270 nan 0.000 0.436 335 Q N 0.412 120.247 119.800 0.058 0.000 2.049 335 Q HA -0.115 4.238 4.340 0.022 0.000 0.198 335 Q C 2.141 178.163 176.000 0.036 0.000 0.971 335 Q CA 0.990 56.815 55.803 0.037 0.000 0.833 335 Q CB -0.240 28.512 28.738 0.024 0.000 0.896 335 Q HN 0.192 nan 8.270 nan 0.000 0.434 336 L N 0.408 121.661 121.223 0.050 0.000 2.191 336 L HA -0.129 4.224 4.340 0.022 0.000 0.212 336 L C 1.967 178.884 176.870 0.079 0.000 1.103 336 L CA 1.351 56.219 54.840 0.046 0.000 0.769 336 L CB -0.584 41.500 42.059 0.042 0.000 0.908 336 L HN 0.092 nan 8.230 nan 0.000 0.438 337 F N -1.089 118.816 119.950 -0.075 0.000 2.118 337 F HA -0.086 4.455 4.527 0.023 0.000 0.293 337 F C 2.169 177.886 175.800 -0.139 0.000 1.102 337 F CA 1.727 59.660 58.000 -0.112 0.000 1.247 337 F CB -0.692 38.237 39.000 -0.117 0.000 1.017 337 F HN -0.105 nan 8.300 nan 0.000 0.475 338 V N 1.294 121.087 119.914 -0.202 0.000 2.255 338 V HA -0.346 3.787 4.120 0.022 0.000 0.247 338 V C 2.314 178.279 176.094 -0.216 0.000 1.051 338 V CA 2.191 64.317 62.300 -0.291 0.000 1.018 338 V CB -0.960 30.789 31.823 -0.123 0.000 0.641 338 V HN 0.351 nan 8.190 nan 0.000 0.445 339 N N 0.332 118.963 118.700 -0.116 0.000 2.043 339 N HA -0.158 4.596 4.740 0.022 0.000 0.193 339 N C 1.927 177.375 175.510 -0.103 0.000 1.037 339 N CA 2.163 55.164 53.050 -0.082 0.000 0.851 339 N CB -0.899 37.562 38.487 -0.042 0.000 1.027 339 N HN 0.475 nan 8.380 nan 0.000 0.422 340 T N 2.346 116.834 114.554 -0.110 0.000 2.759 340 T HA -0.061 4.302 4.350 0.022 0.000 0.269 340 T C 2.157 176.758 174.700 -0.166 0.000 1.042 340 T CA 0.666 62.702 62.100 -0.107 0.000 1.140 340 T CB -0.311 68.514 68.868 -0.070 0.000 0.864 340 T HN 0.153 nan 8.240 nan 0.000 0.455 341 L N 0.587 121.634 121.223 -0.294 0.000 2.042 341 L HA -0.191 4.162 4.340 0.022 0.000 0.210 341 L C 2.968 179.738 176.870 -0.167 0.000 1.076 341 L CA 1.524 56.163 54.840 -0.337 0.000 0.749 341 L CB -0.532 41.157 42.059 -0.617 0.000 0.893 341 L HN 0.347 nan 8.230 nan 0.000 0.432 342 Q N -0.555 119.172 119.800 -0.121 0.000 2.079 342 Q HA -0.272 4.082 4.340 0.022 0.000 0.200 342 Q C 2.119 178.090 176.000 -0.048 0.000 0.974 342 Q CA 1.634 57.404 55.803 -0.054 0.000 0.840 342 Q CB -0.123 28.592 28.738 -0.039 0.000 0.898 342 Q HN 0.477 nan 8.270 nan 0.000 0.430 343 E N 0.718 120.883 120.200 -0.058 0.000 2.118 343 E HA -0.192 4.172 4.350 0.022 0.000 0.195 343 E C 1.252 177.827 176.600 -0.042 0.000 0.992 343 E CA 0.896 57.270 56.400 -0.043 0.000 0.804 343 E CB 0.277 29.951 29.700 -0.043 0.000 0.741 343 E HN 0.031 nan 8.360 nan 0.000 0.458 344 K N -0.631 119.734 120.400 -0.059 0.000 2.487 344 K HA 0.053 4.386 4.320 0.022 0.000 0.192 344 K C 0.859 177.435 176.600 -0.039 0.000 1.027 344 K CA 0.771 57.027 56.287 -0.053 0.000 1.054 344 K CB 0.504 32.958 32.500 -0.076 0.000 0.824 344 K HN 0.311 nan 8.250 nan 0.000 0.510 345 G N 1.637 110.417 108.800 -0.033 0.000 2.212 345 G HA2 -0.287 3.687 3.960 0.022 0.000 0.255 345 G HA3 -0.287 3.687 3.960 0.022 0.000 0.255 345 G C 0.331 175.232 174.900 0.001 0.000 1.062 345 G CA 0.178 45.271 45.100 -0.012 0.000 0.815 345 G HN 0.506 nan 8.290 nan 0.000 0.497 346 A N -0.472 122.346 122.820 -0.004 0.000 2.583 346 A HA 0.427 4.760 4.320 0.022 0.000 0.231 346 A C 1.425 179.067 177.584 0.097 0.000 1.065 346 A CA 1.333 53.399 52.037 0.049 0.000 0.760 346 A CB 0.128 19.165 19.000 0.060 0.000 1.001 346 A HN 0.996 nan 8.150 nan 0.000 0.509 347 N N 0.706 119.481 118.700 0.125 0.000 2.003 347 N HA -0.157 4.597 4.740 0.022 0.000 0.195 347 N C 1.272 176.824 175.510 0.069 0.000 1.083 347 N CA 2.063 55.166 53.050 0.088 0.000 0.875 347 N CB -0.203 38.336 38.487 0.088 0.000 1.067 347 N HN 0.823 nan 8.380 nan 0.000 0.428 348 R N 0.719 121.240 120.500 0.034 0.000 2.523 348 R HA 0.261 4.614 4.340 0.022 0.000 0.229 348 R C -0.735 175.513 176.300 -0.087 0.000 1.265 348 R CA -0.413 55.657 56.100 -0.051 0.000 1.081 348 R CB -1.131 29.103 30.300 -0.110 0.000 1.540 348 R HN 0.308 nan 8.270 nan 0.000 0.560 349 D N -1.189 119.137 120.400 -0.122 0.000 2.304 349 D HA 0.200 4.854 4.640 0.022 0.000 0.250 349 D C -0.675 175.481 176.300 -0.239 0.000 1.107 349 D CA -0.202 53.756 54.000 -0.070 0.000 0.885 349 D CB 0.338 41.146 40.800 0.014 0.000 1.192 349 D HN 0.402 nan 8.370 nan 0.000 0.436 350 F N 0.833 120.713 119.950 -0.116 0.000 2.781 350 F HA 0.088 4.629 4.527 0.023 0.000 0.322 350 F C 2.197 177.626 175.800 -0.618 0.000 1.108 350 F CA -0.209 57.522 58.000 -0.449 0.000 1.179 350 F CB 0.175 38.916 39.000 -0.431 0.000 1.072 350 F HN 0.405 nan 8.300 nan 0.000 0.545 351 S N 0.450 116.072 115.700 -0.131 0.000 2.465 351 S HA -0.275 4.208 4.470 0.022 0.000 0.241 351 S C 1.981 176.537 174.600 -0.074 0.000 1.000 351 S CA 1.332 59.485 58.200 -0.077 0.000 0.964 351 S CB -1.299 61.911 63.200 0.017 0.000 0.763 351 S HN 0.496 nan 8.310 nan 0.000 0.512 352 F N 2.869 122.869 119.950 0.082 0.000 2.333 352 F HA 0.103 4.644 4.527 0.022 0.000 0.300 352 F C 1.708 177.578 175.800 0.117 0.000 1.083 352 F CA 0.311 58.367 58.000 0.093 0.000 1.395 352 F CB -1.096 37.957 39.000 0.088 0.000 1.056 352 F HN 0.323 nan 8.300 nan 0.000 0.529 353 I N -0.331 120.004 120.570 -0.392 0.000 2.830 353 I HA -0.055 4.129 4.170 0.022 0.000 0.263 353 I C 1.703 177.848 176.117 0.047 0.000 1.230 353 I CA 1.252 62.518 61.300 -0.056 0.000 1.480 353 I CB -0.934 37.021 38.000 -0.076 0.000 1.095 353 I HN 0.211 nan 8.210 nan 0.000 0.455 354 I N 0.343 120.926 120.570 0.021 0.000 3.251 354 I HA -0.011 4.173 4.170 0.022 0.000 0.277 354 I C 1.914 178.079 176.117 0.080 0.000 1.268 354 I CA 0.510 61.839 61.300 0.049 0.000 1.449 354 I CB -0.422 37.596 38.000 0.030 0.000 1.083 354 I HN 0.171 nan 8.210 nan 0.000 0.464 355 K N 0.882 121.352 120.400 0.116 0.000 2.379 355 K HA 0.149 4.482 4.320 0.022 0.000 0.194 355 K C 0.521 177.211 176.600 0.149 0.000 1.031 355 K CA 0.283 56.649 56.287 0.132 0.000 1.037 355 K CB 0.252 32.849 32.500 0.161 0.000 0.824 355 K HN 0.443 nan 8.250 nan 0.000 0.516 356 Q N 0.694 120.593 119.800 0.166 0.000 2.221 356 Q HA 0.231 4.584 4.340 0.022 0.000 0.242 356 Q C -0.354 175.721 176.000 0.125 0.000 0.940 356 Q CA -0.541 55.363 55.803 0.169 0.000 0.896 356 Q CB 1.026 29.890 28.738 0.211 0.000 1.226 356 Q HN -0.016 nan 8.270 nan 0.000 0.463 357 N N -0.174 118.599 118.700 0.123 0.000 2.335 357 N HA 0.611 5.364 4.740 0.022 0.000 0.304 357 N C -0.004 175.523 175.510 0.028 0.000 1.135 357 N CA 0.267 53.374 53.050 0.094 0.000 0.817 357 N CB 1.842 40.409 38.487 0.133 0.000 1.294 357 N HN 0.856 nan 8.380 nan 0.000 0.497 358 G N 0.220 109.017 108.800 -0.005 0.000 2.615 358 G HA2 -0.248 3.726 3.960 0.022 0.000 0.218 358 G HA3 -0.248 3.726 3.960 0.022 0.000 0.218 358 G C 0.547 175.293 174.900 -0.257 0.000 1.339 358 G CA 0.060 45.063 45.100 -0.162 0.000 0.884 358 G HN 0.485 nan 8.290 nan 0.000 0.559 359 M N -0.436 118.822 119.600 -0.570 0.000 2.388 359 M HA 0.314 4.807 4.480 0.022 0.000 0.265 359 M C 0.374 176.283 176.300 -0.652 0.000 1.088 359 M CA 1.056 55.953 55.300 -0.671 0.000 1.134 359 M CB 0.107 32.097 32.600 -1.017 0.000 1.384 359 M HN 0.222 nan 8.290 nan 0.000 0.447 360 F N -0.203 119.634 119.950 -0.188 0.000 2.470 360 F HA 0.589 5.130 4.527 0.022 0.000 0.329 360 F C 0.179 175.925 175.800 -0.090 0.000 1.072 360 F CA -1.156 56.760 58.000 -0.140 0.000 0.989 360 F CB 1.506 40.398 39.000 -0.179 0.000 1.193 360 F HN -0.262 nan 8.300 nan 0.000 0.481 361 S N 0.824 116.627 115.700 0.172 0.000 2.543 361 S HA 0.484 4.967 4.470 0.022 0.000 0.274 361 S C -1.684 173.040 174.600 0.206 0.000 1.149 361 S CA -0.671 57.621 58.200 0.153 0.000 0.866 361 S CB 1.094 64.417 63.200 0.206 0.000 1.111 361 S HN 0.257 nan 8.310 nan 0.000 0.457 362 F N 2.998 123.055 119.950 0.178 0.000 2.438 362 F HA 0.246 4.787 4.527 0.023 0.000 0.356 362 F C 1.936 177.920 175.800 0.306 0.000 1.099 362 F CA -0.944 57.148 58.000 0.153 0.000 1.185 362 F CB 1.195 40.215 39.000 0.033 0.000 1.115 362 F HN 0.715 nan 8.300 nan 0.000 0.526 363 S N 1.675 117.678 115.700 0.505 0.000 2.461 363 S HA 0.129 4.613 4.470 0.022 0.000 0.228 363 S C 1.571 176.487 174.600 0.527 0.000 1.005 363 S CA 0.448 58.959 58.200 0.518 0.000 0.942 363 S CB -0.470 62.964 63.200 0.391 0.000 0.776 363 S HN 1.282 nan 8.310 nan 0.000 0.514 364 G N 0.516 109.520 108.800 0.340 0.000 2.137 364 G HA2 -0.172 3.801 3.960 0.022 0.000 0.237 364 G HA3 -0.172 3.801 3.960 0.022 0.000 0.237 364 G C -0.324 174.692 174.900 0.193 0.000 1.002 364 G CA 0.138 45.381 45.100 0.238 0.000 0.702 364 G HN 0.441 nan 8.290 nan 0.000 0.515 365 L N 1.446 122.777 121.223 0.180 0.000 2.357 365 L HA 0.709 5.062 4.340 0.022 0.000 0.273 365 L C 1.470 178.382 176.870 0.069 0.000 1.080 365 L CA 0.043 54.969 54.840 0.144 0.000 0.803 365 L CB 1.315 43.470 42.059 0.161 0.000 1.174 365 L HN 0.431 nan 8.230 nan 0.000 0.443 366 T N -1.260 113.329 114.554 0.058 0.000 2.868 366 T HA 0.169 4.532 4.350 0.022 0.000 0.292 366 T C 1.141 175.854 174.700 0.023 0.000 1.028 366 T CA -0.410 61.706 62.100 0.027 0.000 1.059 366 T CB 0.581 69.465 68.868 0.027 0.000 0.991 366 T HN 0.661 nan 8.240 nan 0.000 0.531 367 K N 0.569 120.972 120.400 0.006 0.000 2.074 367 K HA -0.226 4.108 4.320 0.022 0.000 0.209 367 K C 1.784 178.391 176.600 0.011 0.000 1.048 367 K CA 2.009 58.300 56.287 0.005 0.000 0.926 367 K CB -0.209 32.290 32.500 -0.003 0.000 0.713 367 K HN 0.718 nan 8.250 nan 0.000 0.444 368 E N 0.620 120.829 120.200 0.015 0.000 2.150 368 E HA -0.144 4.219 4.350 0.022 0.000 0.193 368 E C 2.073 178.693 176.600 0.033 0.000 0.985 368 E CA 1.231 57.642 56.400 0.019 0.000 0.814 368 E CB 0.038 29.749 29.700 0.019 0.000 0.752 368 E HN 0.434 nan 8.360 nan 0.000 0.466 369 Q N -0.071 119.756 119.800 0.045 0.000 2.123 369 Q HA -0.061 4.293 4.340 0.022 0.000 0.199 369 Q C 2.234 178.273 176.000 0.065 0.000 0.966 369 Q CA 1.148 56.992 55.803 0.067 0.000 0.845 369 Q CB 0.034 28.821 28.738 0.081 0.000 0.907 369 Q HN 0.165 nan 8.270 nan 0.000 0.439 370 V N 1.670 121.613 119.914 0.049 0.000 2.255 370 V HA -0.257 3.877 4.120 0.022 0.000 0.247 370 V C 2.198 178.292 176.094 0.001 0.000 1.051 370 V CA 1.393 63.713 62.300 0.033 0.000 1.018 370 V CB -0.624 31.215 31.823 0.027 0.000 0.641 370 V HN 0.434 nan 8.190 nan 0.000 0.445 371 L N 0.434 121.654 121.223 -0.005 0.000 2.079 371 L HA -0.190 4.163 4.340 0.022 0.000 0.210 371 L C 2.541 179.400 176.870 -0.018 0.000 1.081 371 L CA 2.216 57.039 54.840 -0.028 0.000 0.752 371 L CB -0.950 41.099 42.059 -0.017 0.000 0.896 371 L HN 0.351 nan 8.230 nan 0.000 0.433 372 R N -0.641 119.875 120.500 0.025 0.000 2.090 372 R HA -0.100 4.254 4.340 0.022 0.000 0.228 372 R C 2.466 178.843 176.300 0.129 0.000 1.110 372 R CA 0.826 56.959 56.100 0.055 0.000 0.973 372 R CB -0.073 30.281 30.300 0.090 0.000 0.869 372 R HN 0.377 nan 8.270 nan 0.000 0.440 373 L N 0.571 121.893 121.223 0.165 0.000 2.046 373 L HA -0.187 4.166 4.340 0.022 0.000 0.208 373 L C 2.956 179.926 176.870 0.168 0.000 1.077 373 L CA 1.447 56.448 54.840 0.269 0.000 0.747 373 L CB -0.468 41.669 42.059 0.129 0.000 0.896 373 L HN 0.264 nan 8.230 nan 0.000 0.432 374 R N 0.078 120.556 120.500 -0.037 0.000 2.062 374 R HA -0.148 4.206 4.340 0.022 0.000 0.231 374 R C 2.061 178.264 176.300 -0.162 0.000 1.136 374 R CA 1.364 57.310 56.100 -0.258 0.000 0.948 374 R CB -0.077 29.922 30.300 -0.502 0.000 0.845 374 R HN 0.305 nan 8.270 nan 0.000 0.430 375 E N 0.285 120.416 120.200 -0.114 0.000 2.150 375 E HA -0.173 4.191 4.350 0.022 0.000 0.193 375 E C 1.360 177.887 176.600 -0.122 0.000 0.985 375 E CA 1.048 57.393 56.400 -0.092 0.000 0.814 375 E CB 0.054 29.707 29.700 -0.077 0.000 0.752 375 E HN 0.526 nan 8.360 nan 0.000 0.466 376 E N -1.473 118.610 120.200 -0.196 0.000 2.498 376 E HA 0.040 4.404 4.350 0.022 0.000 0.203 376 E C 0.098 176.223 176.600 -0.792 0.000 1.013 376 E CA -0.037 56.066 56.400 -0.495 0.000 0.927 376 E CB 0.442 29.753 29.700 -0.649 0.000 1.012 376 E HN 0.057 nan 8.360 nan 0.000 0.482 377 F N -1.409 118.550 119.950 0.015 0.000 2.974 377 F HA 0.329 4.870 4.527 0.022 0.000 0.357 377 F C 1.205 177.047 175.800 0.070 0.000 1.114 377 F CA 0.190 58.211 58.000 0.035 0.000 1.099 377 F CB 1.335 40.353 39.000 0.029 0.000 1.205 377 F HN 0.074 nan 8.300 nan 0.000 0.535 378 G N 1.161 110.093 108.800 0.219 0.000 2.186 378 G HA2 -0.304 3.669 3.960 0.022 0.000 0.266 378 G HA3 -0.304 3.669 3.960 0.022 0.000 0.266 378 G C 0.161 175.319 174.900 0.429 0.000 0.982 378 G CA 0.494 45.793 45.100 0.332 0.000 0.670 378 G HN 0.201 nan 8.290 nan 0.000 0.533 379 V N 1.005 121.088 119.914 0.282 0.000 2.427 379 V HA 0.415 4.548 4.120 0.022 0.000 0.268 379 V C 0.065 176.268 176.094 0.182 0.000 1.046 379 V CA -0.501 61.943 62.300 0.240 0.000 0.970 379 V CB 0.410 32.319 31.823 0.143 0.000 1.001 379 V HN 0.217 nan 8.190 nan 0.000 0.476 380 Y N 3.548 123.875 120.300 0.045 0.000 2.335 380 Y HA 0.724 5.288 4.550 0.023 0.000 0.339 380 Y C 0.425 176.347 175.900 0.037 0.000 0.987 380 Y CA -0.463 57.661 58.100 0.040 0.000 1.140 380 Y CB 1.645 40.122 38.460 0.028 0.000 1.173 380 Y HN 0.742 nan 8.280 nan 0.000 0.486 381 A N 2.003 124.885 122.820 0.104 0.000 2.566 381 A HA 0.784 5.117 4.320 0.022 0.000 0.292 381 A C -1.349 176.279 177.584 0.074 0.000 1.112 381 A CA -0.838 51.255 52.037 0.095 0.000 0.707 381 A CB 0.797 19.847 19.000 0.083 0.000 1.302 381 A HN 0.400 nan 8.150 nan 0.000 0.409 382 V N 1.487 121.449 119.914 0.079 0.000 2.715 382 V HA 0.323 4.456 4.120 0.022 0.000 0.299 382 V C 1.855 177.986 176.094 0.061 0.000 1.054 382 V CA 0.663 63.001 62.300 0.063 0.000 1.077 382 V CB 0.917 32.774 31.823 0.056 0.000 0.972 382 V HN 1.369 nan 8.190 nan 0.000 0.484 383 A N 3.628 126.471 122.820 0.038 0.000 2.042 383 A HA -0.177 4.156 4.320 0.022 0.000 0.222 383 A C 2.266 179.869 177.584 0.031 0.000 1.167 383 A CA 2.205 54.257 52.037 0.026 0.000 0.649 383 A CB -0.654 18.353 19.000 0.012 0.000 0.809 383 A HN 1.127 nan 8.150 nan 0.000 0.457 384 S N -2.132 113.604 115.700 0.060 0.000 2.515 384 S HA 0.304 4.787 4.470 0.022 0.000 0.231 384 S C 1.545 176.165 174.600 0.034 0.000 0.987 384 S CA 1.188 59.421 58.200 0.054 0.000 0.936 384 S CB -0.394 62.925 63.200 0.199 0.000 0.766 384 S HN 1.967 nan 8.310 nan 0.000 0.528 385 G N 1.181 110.053 108.800 0.120 0.000 2.176 385 G HA2 -0.273 3.701 3.960 0.022 0.000 0.232 385 G HA3 -0.273 3.701 3.960 0.022 0.000 0.232 385 G C 0.102 175.192 174.900 0.317 0.000 0.986 385 G CA -0.038 45.161 45.100 0.166 0.000 0.643 385 G HN 0.696 nan 8.290 nan 0.000 0.522 386 R N 0.603 121.320 120.500 0.362 0.000 2.489 386 R HA 0.462 4.816 4.340 0.022 0.000 0.287 386 R C 0.480 176.884 176.300 0.174 0.000 1.053 386 R CA 0.538 56.799 56.100 0.269 0.000 1.036 386 R CB 0.561 30.900 30.300 0.066 0.000 0.966 386 R HN 0.725 nan 8.270 nan 0.000 0.432 387 V N 1.786 121.807 119.914 0.179 0.000 2.769 387 V HA 0.404 4.538 4.120 0.022 0.000 0.312 387 V C -0.597 175.607 176.094 0.182 0.000 1.061 387 V CA -1.269 61.105 62.300 0.123 0.000 0.931 387 V CB 1.903 33.737 31.823 0.019 0.000 1.010 387 V HN 0.738 nan 8.190 nan 0.000 0.433 388 N N 2.880 121.669 118.700 0.149 0.000 2.500 388 N HA 0.259 5.013 4.740 0.022 0.000 0.236 388 N C 0.765 176.216 175.510 -0.098 0.000 1.022 388 N CA -0.114 52.990 53.050 0.090 0.000 0.935 388 N CB 1.451 40.010 38.487 0.119 0.000 1.147 388 N HN 0.616 nan 8.380 nan 0.000 0.512 389 V N 3.375 123.197 119.914 -0.154 0.000 2.469 389 V HA -0.228 3.906 4.120 0.022 0.000 0.251 389 V C 2.220 178.211 176.094 -0.173 0.000 1.064 389 V CA 2.151 64.334 62.300 -0.195 0.000 1.066 389 V CB -0.925 30.806 31.823 -0.153 0.000 0.667 389 V HN 0.768 nan 8.190 nan 0.000 0.461 390 A N 0.385 123.102 122.820 -0.172 0.000 2.259 390 A HA 0.043 4.377 4.320 0.022 0.000 0.212 390 A C 2.109 179.560 177.584 -0.221 0.000 1.178 390 A CA 1.317 53.248 52.037 -0.178 0.000 0.734 390 A CB -0.669 18.247 19.000 -0.141 0.000 0.774 390 A HN 0.566 nan 8.150 nan 0.000 0.481 391 G N -1.244 107.454 108.800 -0.170 0.000 3.042 391 G HA2 0.358 4.332 3.960 0.022 0.000 0.212 391 G HA3 0.358 4.332 3.960 0.022 0.000 0.212 391 G C 0.469 175.288 174.900 -0.136 0.000 1.166 391 G CA -0.323 44.690 45.100 -0.144 0.000 0.767 391 G HN 0.459 nan 8.290 nan 0.000 0.546 392 M N 1.630 121.139 119.600 -0.152 0.000 2.318 392 M HA 0.462 4.955 4.480 0.022 0.000 0.347 392 M C 0.205 176.445 176.300 -0.100 0.000 1.175 392 M CA -0.349 54.873 55.300 -0.130 0.000 1.075 392 M CB 1.970 34.466 32.600 -0.172 0.000 1.614 392 M HN 0.083 nan 8.290 nan 0.000 0.456 393 T N -1.377 113.135 114.554 -0.069 0.000 2.864 393 T HA 0.541 4.905 4.350 0.022 0.000 0.289 393 T C -2.583 172.100 174.700 -0.028 0.000 1.082 393 T CA -1.760 60.308 62.100 -0.052 0.000 1.009 393 T CB 1.787 70.623 68.868 -0.053 0.000 1.234 393 T HN 0.282 nan 8.240 nan 0.000 0.526 394 P HA 0.047 nan 4.420 nan 0.000 0.223 394 P C 0.833 178.129 177.300 -0.007 0.000 1.151 394 P CA 0.698 63.793 63.100 -0.007 0.000 0.787 394 P CB 0.081 31.778 31.700 -0.006 0.000 0.788 395 D N -0.185 120.208 120.400 -0.012 0.000 2.103 395 D HA -0.111 4.542 4.640 0.022 0.000 0.199 395 D C 1.317 177.613 176.300 -0.007 0.000 0.978 395 D CA 1.374 55.368 54.000 -0.009 0.000 0.829 395 D CB -0.600 40.193 40.800 -0.013 0.000 0.981 395 D HN 0.343 nan 8.370 nan 0.000 0.464 396 N N 0.052 118.745 118.700 -0.012 0.000 2.336 396 N HA -0.039 4.714 4.740 0.022 0.000 0.189 396 N C 1.470 176.980 175.510 -0.001 0.000 1.113 396 N CA 0.131 53.177 53.050 -0.007 0.000 0.858 396 N CB -0.182 38.296 38.487 -0.014 0.000 0.970 396 N HN -0.055 nan 8.380 nan 0.000 0.471 397 M N 0.684 120.286 119.600 0.004 0.000 2.202 397 M HA 0.112 4.605 4.480 0.022 0.000 0.262 397 M C 1.792 178.106 176.300 0.024 0.000 1.063 397 M CA 1.115 56.432 55.300 0.028 0.000 1.097 397 M CB -0.526 32.094 32.600 0.034 0.000 1.382 397 M HN 0.338 nan 8.290 nan 0.000 0.413 398 A N 0.662 123.485 122.820 0.005 0.000 1.843 398 A HA 0.039 4.372 4.320 0.022 0.000 0.213 398 A C -0.291 177.283 177.584 -0.016 0.000 1.202 398 A CA 1.149 53.181 52.037 -0.008 0.000 0.607 398 A CB -2.140 16.855 19.000 -0.007 0.000 0.847 398 A HN 0.463 nan 8.150 nan 0.000 0.445 399 P HA -0.173 nan 4.420 nan 0.000 0.216 399 P C 1.833 179.113 177.300 -0.034 0.000 1.150 399 P CA 1.012 64.107 63.100 -0.009 0.000 0.837 399 P CB -0.164 31.546 31.700 0.016 0.000 0.786 400 L N -0.094 121.120 121.223 -0.015 0.000 1.961 400 L HA -0.177 4.177 4.340 0.022 0.000 0.210 400 L C 2.518 179.366 176.870 -0.037 0.000 1.072 400 L CA 2.071 56.903 54.840 -0.013 0.000 0.749 400 L CB -1.003 41.069 42.059 0.022 0.000 0.889 400 L HN 0.001 nan 8.230 nan 0.000 0.432 401 C N 0.346 119.641 119.300 -0.008 0.000 2.413 401 C HA -0.175 4.298 4.460 0.022 0.000 0.276 401 C C 2.519 177.429 174.990 -0.133 0.000 1.248 401 C CA 1.078 60.054 59.018 -0.070 0.000 1.742 401 C CB -1.064 26.621 27.740 -0.092 0.000 2.017 401 C HN 0.588 nan 8.230 nan 0.000 0.481 402 E N 0.814 120.940 120.200 -0.124 0.000 2.085 402 E HA -0.194 4.169 4.350 0.022 0.000 0.194 402 E C 2.390 178.829 176.600 -0.269 0.000 0.994 402 E CA 1.424 57.737 56.400 -0.145 0.000 0.801 402 E CB -0.277 29.365 29.700 -0.096 0.000 0.743 402 E HN 0.691 nan 8.360 nan 0.000 0.453 403 A N 1.146 123.712 122.820 -0.423 0.000 1.902 403 A HA -0.180 4.154 4.320 0.022 0.000 0.217 403 A C 2.166 179.400 177.584 -0.582 0.000 1.181 403 A CA 1.067 52.541 52.037 -0.939 0.000 0.623 403 A CB -0.565 17.829 19.000 -1.011 0.000 0.818 403 A HN 0.150 nan 8.150 nan 0.000 0.443 404 I N -0.422 119.975 120.570 -0.288 0.000 2.179 404 I HA -0.216 3.968 4.170 0.022 0.000 0.242 404 I C 2.281 178.335 176.117 -0.105 0.000 1.088 404 I CA 1.178 62.392 61.300 -0.144 0.000 1.357 404 I CB -0.288 37.648 38.000 -0.107 0.000 1.051 404 I HN 0.148 nan 8.210 nan 0.000 0.409 405 V N 1.228 121.067 119.914 -0.125 0.000 2.568 405 V HA -0.193 3.940 4.120 0.022 0.000 0.253 405 V C 1.554 177.627 176.094 -0.036 0.000 1.072 405 V CA 1.172 63.435 62.300 -0.062 0.000 1.084 405 V CB -1.167 30.614 31.823 -0.070 0.000 0.676 405 V HN 0.424 nan 8.190 nan 0.000 0.469 409 L N 0.000 121.268 121.223 0.075 0.000 2.949 409 L HA 0.000 4.353 4.340 0.022 0.000 0.249 409 L CA 0.000 54.894 54.840 0.090 0.000 0.813 409 L CB 0.000 42.126 42.059 0.112 0.000 0.961 409 L HN 0.000 nan 8.230 nan 0.000 0.502