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 2hiz_1_B DATA FIRST_RESID 1 DATA SEQUENCE EMVDNLRGKS GQGYYVEMTV GSPPQTLNIL VDTGSSNFAV GAAPHPFLHR DATA SEQUENCE YYQRQLSSTY RDLRKGVYVP YTQGKWEGEL GTDLVSIPHG PNVTVRANIA DATA SEQUENCE AITESDKFFI NGSNWEGILG LAYAEIARPD DSLEPFFDSL VKQTHVPNLF DATA SEQUENCE SLQLCGAXXX XXXXXXXASV GGSMIIGGID HSLYTGSLWY TPIRREWYYE DATA SEQUENCE VIIVRVEING QDLKMDCKEY NYDKSIVDSG TTNLRLPKKV FEAAVKSIKA DATA SEQUENCE ASSTEKFPDG FWLGEQLVCW QAGTTPWNIF PVISLYLMGE VTNQSFRITI DATA SEQUENCE LPQQYLRPVE XXXXXXXDCY KFAISQSSTG TVMGAVIMEG FYVVFDRARK DATA SEQUENCE RIGFAVSACH VHDEFRTAAV EGPFVTLDME DCGYNI VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 E HA 0.000 nan 4.350 nan 0.000 0.291 1 E C 0.000 176.662 176.600 0.103 0.000 1.382 1 E CA 0.000 56.450 56.400 0.083 0.000 0.976 1 E CB 0.000 29.749 29.700 0.082 0.000 0.812 2 M N 0.960 120.614 119.600 0.090 0.000 2.382 2 M HA 0.220 4.700 4.480 -0.000 0.000 0.247 2 M C 0.304 176.645 176.300 0.067 0.000 1.104 2 M CA 0.058 55.417 55.300 0.098 0.000 1.030 2 M CB 1.450 34.115 32.600 0.108 0.000 1.424 2 M HN -0.188 nan 8.290 nan 0.000 0.486 3 V N 2.223 122.165 119.914 0.046 0.000 2.673 3 V HA -0.094 4.026 4.120 -0.000 0.000 0.303 3 V C 0.575 176.667 176.094 -0.004 0.000 1.046 3 V CA 0.985 63.298 62.300 0.021 0.000 1.126 3 V CB 0.644 32.471 31.823 0.008 0.000 0.934 3 V HN 0.586 nan 8.190 nan 0.000 0.487 4 D N 2.661 123.057 120.400 -0.008 0.000 2.981 4 D HA -0.179 4.461 4.640 -0.000 0.000 0.223 4 D C 0.853 177.124 176.300 -0.048 0.000 1.151 4 D CA 1.104 55.088 54.000 -0.027 0.000 0.827 4 D CB -0.860 39.915 40.800 -0.041 0.000 1.101 4 D HN 0.877 nan 8.370 nan 0.000 0.426 5 N N 0.126 118.814 118.700 -0.019 0.000 2.370 5 N HA 0.059 4.799 4.740 -0.000 0.000 0.198 5 N C 0.124 175.631 175.510 -0.006 0.000 1.156 5 N CA 0.180 53.221 53.050 -0.014 0.000 0.839 5 N CB 0.039 38.566 38.487 0.067 0.000 0.989 5 N HN 0.384 nan 8.380 nan 0.000 0.468 6 L N 0.008 121.215 121.223 -0.026 0.000 2.346 6 L HA 0.576 4.916 4.340 -0.000 0.000 0.274 6 L C 0.165 176.956 176.870 -0.132 0.000 1.007 6 L CA -0.804 54.002 54.840 -0.056 0.000 0.818 6 L CB 1.911 43.984 42.059 0.024 0.000 1.284 6 L HN -0.022 nan 8.230 nan 0.000 0.424 7 R N 0.625 120.881 120.500 -0.406 0.000 2.846 7 R HA 0.909 5.249 4.340 -0.000 0.000 0.263 7 R C -0.695 175.113 176.300 -0.821 0.000 1.080 7 R CA -0.788 55.001 56.100 -0.518 0.000 0.961 7 R CB 2.371 32.394 30.300 -0.462 0.000 1.231 7 R HN 0.815 nan 8.270 nan 0.000 0.465 8 G N 0.403 108.922 108.800 -0.468 0.000 2.359 8 G HA2 0.133 4.093 3.960 -0.000 0.000 0.293 8 G HA3 0.133 4.093 3.960 -0.000 0.000 0.293 8 G C -1.857 172.956 174.900 -0.144 0.000 1.300 8 G CA -0.972 43.995 45.100 -0.222 0.000 0.888 8 G HN 0.315 nan 8.290 nan 0.000 0.541 9 K N 0.086 120.444 120.400 -0.070 0.000 2.281 9 K HA 0.718 5.038 4.320 -0.000 0.000 0.242 9 K C 1.282 177.819 176.600 -0.105 0.000 0.971 9 K CA -0.045 56.202 56.287 -0.066 0.000 0.834 9 K CB 1.985 34.484 32.500 -0.003 0.000 1.181 9 K HN 0.624 nan 8.250 nan 0.000 0.435 10 S N 1.082 116.742 115.700 -0.066 0.000 1.933 10 S HA -0.270 4.200 4.470 -0.000 0.000 0.528 10 S C 1.191 175.776 174.600 -0.026 0.000 0.921 10 S CA 2.198 60.378 58.200 -0.034 0.000 3.303 10 S CB -0.746 62.455 63.200 0.003 0.000 2.305 10 S HN 0.910 nan 8.310 nan 0.000 0.544 11 G N 0.039 108.847 108.800 0.013 0.000 3.949 11 G HA2 0.438 4.398 3.960 -0.000 0.000 0.295 11 G HA3 0.438 4.398 3.960 -0.000 0.000 0.295 11 G C 0.324 175.257 174.900 0.055 0.000 1.286 11 G CA -0.273 44.851 45.100 0.039 0.000 1.171 11 G HN 0.630 nan 8.290 nan 0.000 0.586 12 Q N 0.169 120.001 119.800 0.054 0.000 2.135 12 Q HA 0.365 4.705 4.340 -0.000 0.000 0.222 12 Q C 0.978 177.122 176.000 0.240 0.000 0.808 12 Q CA 0.036 55.933 55.803 0.158 0.000 1.049 12 Q CB 1.482 30.304 28.738 0.141 0.000 1.168 12 Q HN 0.597 nan 8.270 nan 0.000 0.483 13 G N 0.712 109.558 108.800 0.076 0.000 2.814 13 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.677 13 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.677 13 G C -1.229 173.625 174.900 -0.078 0.000 1.429 13 G CA -0.841 44.283 45.100 0.041 0.000 0.868 13 G HN 0.182 nan 8.290 nan 0.000 0.553 14 Y N -0.043 120.211 120.300 -0.076 0.000 2.393 14 Y HA 0.687 5.237 4.550 -0.000 0.000 0.341 14 Y C 0.563 176.393 175.900 -0.118 0.000 0.988 14 Y CA -0.484 57.544 58.100 -0.121 0.000 1.078 14 Y CB 1.904 40.295 38.460 -0.115 0.000 1.203 14 Y HN 0.835 nan 8.280 nan 0.000 0.453 15 Y N 0.178 120.512 120.300 0.056 0.000 2.570 15 Y HA 0.850 5.400 4.550 -0.000 0.000 0.345 15 Y C -1.589 174.336 175.900 0.042 0.000 1.014 15 Y CA -1.815 56.287 58.100 0.002 0.000 1.063 15 Y CB 0.998 39.488 38.460 0.051 0.000 1.272 15 Y HN 0.458 nan 8.280 nan 0.000 0.477 16 V N 1.481 121.538 119.914 0.238 0.000 2.864 16 V HA 0.450 4.570 4.120 -0.000 0.000 0.314 16 V C -0.811 175.411 176.094 0.214 0.000 1.073 16 V CA -0.847 61.553 62.300 0.166 0.000 0.956 16 V CB 1.830 33.682 31.823 0.049 0.000 1.023 16 V HN 1.005 nan 8.190 nan 0.000 0.435 17 E N 4.926 125.249 120.200 0.205 0.000 2.331 17 E HA 0.553 4.903 4.350 -0.000 0.000 0.272 17 E C -0.862 175.788 176.600 0.084 0.000 1.036 17 E CA -0.325 56.176 56.400 0.168 0.000 0.864 17 E CB 1.017 30.838 29.700 0.201 0.000 1.035 17 E HN 0.712 nan 8.360 nan 0.000 0.408 18 M N 1.772 121.406 119.600 0.057 0.000 2.618 18 M HA 0.334 4.814 4.480 -0.000 0.000 0.281 18 M C -0.986 175.332 176.300 0.030 0.000 1.267 18 M CA -0.940 54.373 55.300 0.021 0.000 0.845 18 M CB 2.568 35.167 32.600 -0.002 0.000 1.732 18 M HN 0.586 nan 8.290 nan 0.000 0.461 19 T N -0.350 114.220 114.554 0.027 0.000 2.893 19 T HA 0.829 5.179 4.350 -0.000 0.000 0.293 19 T C -0.755 173.968 174.700 0.039 0.000 1.027 19 T CA -0.802 61.315 62.100 0.029 0.000 0.988 19 T CB 1.565 70.448 68.868 0.025 0.000 1.043 19 T HN 0.682 nan 8.240 nan 0.000 0.461 20 V N -1.040 118.882 119.914 0.013 0.000 2.789 20 V HA 1.004 5.124 4.120 -0.000 0.000 0.311 20 V C 0.531 176.667 176.094 0.070 0.000 1.073 20 V CA -0.013 62.281 62.300 -0.011 0.000 0.921 20 V CB 0.661 32.326 31.823 -0.264 0.000 1.009 20 V HN 1.994 nan 8.190 nan 0.000 0.426 21 G N 2.849 111.727 108.800 0.129 0.000 2.829 21 G HA2 0.103 4.063 3.960 -0.000 0.000 0.628 21 G HA3 0.103 4.063 3.960 -0.000 0.000 0.628 21 G C -0.389 174.586 174.900 0.124 0.000 1.412 21 G CA -0.255 44.958 45.100 0.188 0.000 0.864 21 G HN 1.807 nan 8.290 nan 0.000 0.544 22 S N 2.354 118.123 115.700 0.115 0.000 2.647 22 S HA 0.722 5.192 4.470 -0.000 0.000 0.300 22 S C -2.189 172.449 174.600 0.064 0.000 1.129 22 S CA -0.654 57.593 58.200 0.077 0.000 1.029 22 S CB 2.773 66.014 63.200 0.069 0.000 1.007 22 S HN 0.824 nan 8.310 nan 0.000 0.484 23 P HA 0.279 nan 4.420 nan 0.000 0.272 23 P C -2.868 174.462 177.300 0.050 0.000 1.230 23 P CA -1.591 61.534 63.100 0.040 0.000 0.788 23 P CB -0.804 30.912 31.700 0.026 0.000 0.949 24 P HA 0.014 nan 4.420 nan 0.000 0.263 24 P C -0.472 176.854 177.300 0.042 0.000 1.175 24 P CA 0.914 64.040 63.100 0.045 0.000 0.761 24 P CB 0.121 31.839 31.700 0.030 0.000 0.794 25 Q N 1.457 121.289 119.800 0.053 0.000 2.341 25 Q HA 0.314 4.654 4.340 -0.000 0.000 0.268 25 Q C -0.514 175.505 176.000 0.032 0.000 1.013 25 Q CA -0.493 55.339 55.803 0.049 0.000 0.798 25 Q CB 1.393 30.192 28.738 0.101 0.000 1.253 25 Q HN 0.344 nan 8.270 nan 0.000 0.457 26 T N 3.811 118.378 114.554 0.022 0.000 2.817 26 T HA 0.556 4.906 4.350 -0.000 0.000 0.293 26 T C -0.284 174.430 174.700 0.023 0.000 0.964 26 T CA -0.152 61.962 62.100 0.023 0.000 1.085 26 T CB 0.279 69.160 68.868 0.023 0.000 0.921 26 T HN 0.343 nan 8.240 nan 0.000 0.502 27 L N 2.982 124.225 121.223 0.032 0.000 2.506 27 L HA 0.464 4.804 4.340 -0.000 0.000 0.257 27 L C -0.602 176.299 176.870 0.053 0.000 0.964 27 L CA -1.260 53.600 54.840 0.034 0.000 0.836 27 L CB 2.023 44.102 42.059 0.032 0.000 1.384 27 L HN 0.415 nan 8.230 nan 0.000 0.410 28 N N 2.987 121.704 118.700 0.029 0.000 2.414 28 N HA 0.438 5.178 4.740 -0.000 0.000 0.256 28 N C -0.890 174.686 175.510 0.110 0.000 1.029 28 N CA -0.324 52.741 53.050 0.025 0.000 0.948 28 N CB 1.509 39.809 38.487 -0.312 0.000 1.102 28 N HN 0.324 nan 8.380 nan 0.000 0.496 29 I N 2.464 123.123 120.570 0.149 0.000 2.377 29 I HA 0.290 4.460 4.170 -0.000 0.000 0.293 29 I C 0.586 176.726 176.117 0.038 0.000 0.987 29 I CA -0.839 60.531 61.300 0.116 0.000 1.185 29 I CB 1.322 39.386 38.000 0.107 0.000 1.341 29 I HN 0.281 nan 8.210 nan 0.000 0.455 30 L N 6.917 128.030 121.223 -0.183 0.000 2.410 30 L HA 0.263 4.603 4.340 -0.000 0.000 0.273 30 L C -0.316 176.409 176.870 -0.241 0.000 1.152 30 L CA -0.249 54.343 54.840 -0.415 0.000 0.855 30 L CB 0.989 42.344 42.059 -1.174 0.000 1.129 30 L HN 0.310 nan 8.230 nan 0.000 0.463 31 V N 4.705 124.517 119.914 -0.171 0.000 2.405 31 V HA 0.156 4.276 4.120 -0.000 0.000 0.264 31 V C -0.301 175.693 176.094 -0.167 0.000 1.048 31 V CA -0.101 62.097 62.300 -0.170 0.000 0.966 31 V CB 0.900 32.636 31.823 -0.144 0.000 1.015 31 V HN 0.712 nan 8.190 nan 0.000 0.477 32 D N 3.324 123.627 120.400 -0.160 0.000 2.440 32 D HA 0.236 4.876 4.640 -0.000 0.000 0.252 32 D C 1.077 177.333 176.300 -0.074 0.000 1.180 32 D CA -0.186 53.753 54.000 -0.102 0.000 0.894 32 D CB 1.810 42.568 40.800 -0.069 0.000 1.111 32 D HN 0.575 nan 8.370 nan 0.000 0.544 33 T N -0.152 114.359 114.554 -0.071 0.000 3.148 33 T HA 0.127 4.477 4.350 -0.000 0.000 0.253 33 T C 1.647 176.465 174.700 0.197 0.000 1.134 33 T CA 0.451 62.544 62.100 -0.011 0.000 1.051 33 T CB 0.180 68.918 68.868 -0.216 0.000 0.959 33 T HN 0.291 nan 8.240 nan 0.000 0.525 34 G N 1.010 109.895 108.800 0.141 0.000 2.880 34 G HA2 0.351 4.311 3.960 -0.000 0.000 0.209 34 G HA3 0.351 4.311 3.960 -0.000 0.000 0.209 34 G C 0.561 175.595 174.900 0.223 0.000 1.157 34 G CA 0.296 45.517 45.100 0.203 0.000 0.779 34 G HN 0.772 nan 8.290 nan 0.000 0.539 35 S N -1.986 113.808 115.700 0.156 0.000 2.794 35 S HA 0.643 5.113 4.470 -0.000 0.000 0.299 35 S C -0.007 174.644 174.600 0.085 0.000 1.179 35 S CA -0.269 58.018 58.200 0.146 0.000 0.838 35 S CB 1.834 65.223 63.200 0.315 0.000 1.206 35 S HN -0.096 nan 8.310 nan 0.000 0.523 36 S N 0.116 115.864 115.700 0.081 0.000 2.819 36 S HA 0.388 4.858 4.470 -0.000 0.000 0.249 36 S C -0.602 174.087 174.600 0.149 0.000 1.030 36 S CA -0.437 57.809 58.200 0.078 0.000 1.052 36 S CB -0.406 62.811 63.200 0.029 0.000 1.017 36 S HN 0.656 nan 8.310 nan 0.000 0.576 37 N N 1.252 120.083 118.700 0.217 0.000 2.399 37 N HA 0.425 5.165 4.740 -0.000 0.000 0.295 37 N C -1.334 174.402 175.510 0.377 0.000 1.048 37 N CA -0.408 52.822 53.050 0.300 0.000 0.886 37 N CB 1.030 39.735 38.487 0.364 0.000 1.185 37 N HN 0.273 nan 8.380 nan 0.000 0.487 38 F N 2.299 122.340 119.950 0.151 0.000 2.350 38 F HA 0.629 5.156 4.527 -0.000 0.000 0.365 38 F C -0.363 175.452 175.800 0.024 0.000 1.122 38 F CA -0.710 57.333 58.000 0.072 0.000 1.139 38 F CB 0.218 39.265 39.000 0.078 0.000 1.220 38 F HN 0.441 nan 8.300 nan 0.000 0.499 39 A N 5.725 128.475 122.820 -0.118 0.000 2.401 39 A HA 0.782 5.102 4.320 -0.000 0.000 0.310 39 A C -1.334 176.002 177.584 -0.413 0.000 1.075 39 A CA -0.551 51.204 52.037 -0.470 0.000 0.746 39 A CB 1.851 20.290 19.000 -0.935 0.000 1.277 39 A HN 0.891 nan 8.150 nan 0.000 0.425 40 V N -0.494 119.184 119.914 -0.392 0.000 2.888 40 V HA 0.884 5.004 4.120 -0.000 0.000 0.309 40 V C 0.275 176.378 176.094 0.015 0.000 1.114 40 V CA -0.155 62.061 62.300 -0.140 0.000 0.940 40 V CB 1.239 32.920 31.823 -0.237 0.000 1.021 40 V HN 1.762 nan 8.190 nan 0.000 0.426 41 G N 2.298 111.216 108.800 0.198 0.000 2.265 41 G HA2 0.502 4.462 3.960 -0.000 0.000 0.240 41 G HA3 0.502 4.462 3.960 -0.000 0.000 0.240 41 G C 0.561 175.532 174.900 0.117 0.000 1.270 41 G CA 0.199 45.392 45.100 0.155 0.000 0.901 41 G HN 2.052 nan 8.290 nan 0.000 0.507 42 A N 1.528 124.362 122.820 0.024 0.000 2.610 42 A HA 0.788 5.108 4.320 -0.000 0.000 0.291 42 A C 0.655 178.087 177.584 -0.255 0.000 1.116 42 A CA 0.684 52.748 52.037 0.045 0.000 0.963 42 A CB 0.101 19.118 19.000 0.028 0.000 1.220 42 A HN 1.963 nan 8.150 nan 0.000 0.530 43 A N 0.490 122.896 122.820 -0.690 0.000 2.605 43 A HA 0.745 5.065 4.320 -0.000 0.000 0.294 43 A C -3.274 173.651 177.584 -1.099 0.000 1.062 43 A CA -1.315 50.145 52.037 -0.962 0.000 0.682 43 A CB 0.888 19.674 19.000 -0.357 0.000 1.278 43 A HN 0.044 nan 8.150 nan 0.000 0.410 44 P HA 0.164 nan 4.420 nan 0.000 0.267 44 P C -0.916 176.283 177.300 -0.169 0.000 1.200 44 P CA 0.680 63.566 63.100 -0.357 0.000 0.772 44 P CB 0.406 32.041 31.700 -0.109 0.000 0.855 45 H N 2.413 121.355 119.070 -0.213 0.000 3.046 45 H HA 0.231 4.787 4.556 -0.000 0.000 0.363 45 H C -2.143 173.077 175.328 -0.179 0.000 1.203 45 H CA -1.606 54.322 56.048 -0.199 0.000 1.169 45 H CB 2.037 31.652 29.762 -0.244 0.000 1.851 45 H HN 0.060 nan 8.280 nan 0.000 0.546 46 P HA -0.047 nan 4.420 nan 0.000 0.220 46 P C 0.791 178.162 177.300 0.118 0.000 1.144 46 P CA 1.367 64.296 63.100 -0.284 0.000 0.800 46 P CB 0.004 31.375 31.700 -0.549 0.000 0.772 47 F N -2.416 117.617 119.950 0.138 0.000 2.704 47 F HA 0.188 4.715 4.527 0.000 0.000 0.304 47 F C 0.923 176.484 175.800 -0.399 0.000 1.094 47 F CA -0.646 57.297 58.000 -0.095 0.000 1.275 47 F CB 0.450 39.438 39.000 -0.020 0.000 1.073 47 F HN -0.247 nan 8.300 nan 0.000 0.586 48 L N 1.168 122.292 121.223 -0.165 0.000 2.292 48 L HA 0.199 4.539 4.340 -0.000 0.000 0.284 48 L C 1.024 177.746 176.870 -0.246 0.000 1.065 48 L CA -0.423 54.220 54.840 -0.328 0.000 0.806 48 L CB 0.872 42.746 42.059 -0.308 0.000 1.175 48 L HN 0.144 nan 8.230 nan 0.000 0.431 49 H N 3.616 122.647 119.070 -0.065 0.000 2.563 49 H HA 0.156 4.712 4.556 0.000 0.000 0.264 49 H C 0.123 175.430 175.328 -0.035 0.000 0.957 49 H CA 0.240 56.263 56.048 -0.043 0.000 1.173 49 H CB 0.461 30.183 29.762 -0.067 0.000 1.420 49 H HN 0.573 nan 8.280 nan 0.000 0.551 50 R N -0.821 119.715 120.500 0.061 0.000 2.765 50 R HA 0.346 4.686 4.340 -0.000 0.000 0.277 50 R C -1.963 174.370 176.300 0.054 0.000 1.028 50 R CA -0.995 55.102 56.100 -0.006 0.000 0.860 50 R CB 1.344 31.625 30.300 -0.033 0.000 1.270 50 R HN 0.002 nan 8.270 nan 0.000 0.484 51 Y N -1.833 118.447 120.300 -0.033 0.000 2.656 51 Y HA 0.496 5.046 4.550 0.000 0.000 0.334 51 Y C -1.564 174.365 175.900 0.047 0.000 1.179 51 Y CA -1.710 56.377 58.100 -0.021 0.000 1.050 51 Y CB 0.536 38.958 38.460 -0.063 0.000 1.308 51 Y HN 0.622 nan 8.280 nan 0.000 0.456 52 Y N 2.838 123.213 120.300 0.125 0.000 2.632 52 Y HA 0.250 4.800 4.550 -0.000 0.000 0.329 52 Y C -0.381 175.553 175.900 0.057 0.000 1.174 52 Y CA -0.174 57.941 58.100 0.024 0.000 1.469 52 Y CB 0.722 39.173 38.460 -0.015 0.000 1.242 52 Y HN 0.721 nan 8.280 nan 0.000 0.540 53 Q N 7.244 126.899 119.800 -0.242 0.000 2.607 53 Q HA 0.257 4.597 4.340 -0.000 0.000 0.247 53 Q C 0.975 176.635 176.000 -0.567 0.000 1.033 53 Q CA -0.457 55.140 55.803 -0.344 0.000 0.769 53 Q CB 0.929 29.533 28.738 -0.222 0.000 1.169 53 Q HN 0.825 nan 8.270 nan 0.000 0.508 54 R N 1.042 120.977 120.500 -0.941 0.000 2.119 54 R HA -0.255 4.085 4.340 -0.000 0.000 0.246 54 R C 2.151 178.177 176.300 -0.458 0.000 1.146 54 R CA 1.955 57.462 56.100 -0.988 0.000 0.962 54 R CB -0.033 29.441 30.300 -1.377 0.000 0.863 54 R HN 0.586 nan 8.270 nan 0.000 0.442 55 Q N 1.132 120.750 119.800 -0.304 0.000 2.297 55 Q HA -0.170 4.170 4.340 -0.000 0.000 0.208 55 Q C 1.605 177.552 176.000 -0.089 0.000 0.981 55 Q CA 1.553 57.272 55.803 -0.140 0.000 0.876 55 Q CB -0.191 28.487 28.738 -0.099 0.000 0.921 55 Q HN 0.473 nan 8.270 nan 0.000 0.446 56 L N 0.722 121.879 121.223 -0.111 0.000 2.567 56 L HA 0.205 4.545 4.340 -0.000 0.000 0.225 56 L C 1.054 177.919 176.870 -0.008 0.000 1.119 56 L CA -0.067 54.741 54.840 -0.054 0.000 0.871 56 L CB 0.308 42.330 42.059 -0.061 0.000 1.036 56 L HN 0.009 nan 8.230 nan 0.000 0.459 57 S N -0.340 115.362 115.700 0.003 0.000 2.429 57 S HA 0.156 4.626 4.470 -0.000 0.000 0.302 57 S C 1.216 175.886 174.600 0.116 0.000 1.115 57 S CA -0.392 57.861 58.200 0.088 0.000 1.095 57 S CB 1.293 64.598 63.200 0.175 0.000 0.987 57 S HN 0.300 nan 8.310 nan 0.000 0.474 58 S N 3.090 118.847 115.700 0.094 0.000 2.481 58 S HA -0.074 4.396 4.470 -0.000 0.000 0.231 58 S C 1.367 176.026 174.600 0.099 0.000 0.996 58 S CA 1.036 59.286 58.200 0.084 0.000 0.942 58 S CB -0.659 62.575 63.200 0.058 0.000 0.768 58 S HN 0.840 nan 8.310 nan 0.000 0.520 59 T N -2.236 112.394 114.554 0.126 0.000 3.086 59 T HA 0.227 4.577 4.350 -0.000 0.000 0.250 59 T C 0.346 175.140 174.700 0.156 0.000 1.074 59 T CA -0.524 61.647 62.100 0.118 0.000 0.988 59 T CB -0.623 68.310 68.868 0.108 0.000 0.988 59 T HN 0.448 nan 8.240 nan 0.000 0.530 60 Y N 3.037 123.389 120.300 0.086 0.000 2.550 60 Y HA 0.404 4.954 4.550 -0.000 0.000 0.343 60 Y C 0.168 176.110 175.900 0.069 0.000 1.245 60 Y CA -0.901 57.260 58.100 0.102 0.000 1.462 60 Y CB 0.475 38.986 38.460 0.085 0.000 1.340 60 Y HN 0.033 nan 8.280 nan 0.000 0.604 61 R N 4.283 124.196 120.500 -0.979 0.000 2.549 61 R HA 0.110 4.450 4.340 -0.000 0.000 0.291 61 R C -1.752 173.993 176.300 -0.926 0.000 1.164 61 R CA -0.895 54.772 56.100 -0.722 0.000 0.973 61 R CB 0.991 31.119 30.300 -0.287 0.000 1.210 61 R HN 0.671 nan 8.270 nan 0.000 0.422 62 D N 3.353 123.311 120.400 -0.737 0.000 2.417 62 D HA 0.026 4.666 4.640 -0.000 0.000 0.250 62 D C 0.758 176.984 176.300 -0.124 0.000 1.166 62 D CA 0.172 54.012 54.000 -0.268 0.000 0.881 62 D CB 1.201 42.017 40.800 0.026 0.000 1.164 62 D HN 0.514 nan 8.370 nan 0.000 0.467 63 L N 3.579 124.776 121.223 -0.044 0.000 2.558 63 L HA 0.106 4.446 4.340 -0.000 0.000 0.225 63 L C 1.107 177.987 176.870 0.017 0.000 1.128 63 L CA 0.048 54.882 54.840 -0.011 0.000 0.868 63 L CB -0.058 42.012 42.059 0.019 0.000 1.006 63 L HN 0.505 nan 8.230 nan 0.000 0.454 64 R N -0.123 120.398 120.500 0.034 0.000 3.651 64 R HA -0.172 4.168 4.340 -0.000 0.000 0.292 64 R C -0.432 175.895 176.300 0.045 0.000 1.161 64 R CA 0.723 56.848 56.100 0.042 0.000 0.787 64 R CB -1.836 28.480 30.300 0.026 0.000 1.249 64 R HN 0.280 nan 8.270 nan 0.000 0.476 65 K N -0.166 120.269 120.400 0.058 0.000 2.378 65 K HA 0.473 4.793 4.320 -0.000 0.000 0.252 65 K C 0.402 177.050 176.600 0.079 0.000 0.931 65 K CA -0.215 56.108 56.287 0.059 0.000 0.794 65 K CB 2.207 34.740 32.500 0.056 0.000 1.181 65 K HN 0.146 nan 8.250 nan 0.000 0.425 66 G N 0.644 109.488 108.800 0.074 0.000 2.562 66 G HA2 0.511 4.471 3.960 -0.000 0.000 0.275 66 G HA3 0.511 4.471 3.960 -0.000 0.000 0.275 66 G C -1.118 173.847 174.900 0.108 0.000 1.196 66 G CA -0.381 44.775 45.100 0.093 0.000 0.908 66 G HN 0.347 nan 8.290 nan 0.000 0.524 67 V N 0.173 120.176 119.914 0.148 0.000 2.969 67 V HA 0.706 4.826 4.120 -0.000 0.000 0.304 67 V C -2.125 174.056 176.094 0.143 0.000 1.192 67 V CA -0.979 61.410 62.300 0.147 0.000 0.962 67 V CB 1.938 33.883 31.823 0.202 0.000 1.045 67 V HN 0.864 nan 8.190 nan 0.000 0.428 68 Y N 5.010 125.215 120.300 -0.159 0.000 2.406 68 Y HA 0.802 5.352 4.550 0.000 0.000 0.340 68 Y C -1.280 174.258 175.900 -0.603 0.000 0.975 68 Y CA -0.704 57.199 58.100 -0.329 0.000 1.056 68 Y CB 2.218 40.553 38.460 -0.208 0.000 1.210 68 Y HN 0.499 nan 8.280 nan 0.000 0.448 69 V N 8.935 127.827 119.914 -1.703 0.000 2.447 69 V HA 0.466 4.586 4.120 -0.000 0.000 0.292 69 V C -2.577 172.464 176.094 -1.756 0.000 1.021 69 V CA -1.544 59.714 62.300 -1.736 0.000 0.850 69 V CB 1.836 32.411 31.823 -2.078 0.000 1.005 69 V HN 0.665 nan 8.190 nan 0.000 0.426 70 P HA 0.523 nan 4.420 nan 0.000 0.304 70 P C -1.604 175.350 177.300 -0.576 0.000 1.360 70 P CA -0.446 62.181 63.100 -0.788 0.000 0.869 70 P CB 1.480 32.933 31.700 -0.412 0.000 0.988 71 Y N -0.015 120.164 120.300 -0.201 0.000 2.618 71 Y HA 0.283 4.833 4.550 0.000 0.000 0.326 71 Y C 2.377 178.261 175.900 -0.026 0.000 1.168 71 Y CA -0.415 57.640 58.100 -0.075 0.000 1.269 71 Y CB -0.014 38.446 38.460 -0.000 0.000 1.388 71 Y HN 0.191 nan 8.280 nan 0.000 0.528 72 T N -0.065 114.605 114.554 0.193 0.000 2.803 72 T HA -0.207 4.143 4.350 -0.000 0.000 0.269 72 T C 0.219 174.976 174.700 0.095 0.000 1.052 72 T CA 1.614 63.772 62.100 0.096 0.000 1.136 72 T CB -0.206 68.698 68.868 0.061 0.000 0.864 72 T HN 0.490 nan 8.240 nan 0.000 0.467 73 Q N -0.697 119.188 119.800 0.141 0.000 2.371 73 Q HA 0.468 4.808 4.340 -0.000 0.000 0.244 73 Q C -1.052 175.071 176.000 0.204 0.000 0.882 73 Q CA -0.283 55.601 55.803 0.134 0.000 0.866 73 Q CB 1.152 29.950 28.738 0.100 0.000 1.399 73 Q HN 0.345 nan 8.270 nan 0.000 0.432 74 G N 2.835 111.765 108.800 0.217 0.000 2.697 74 G HA2 0.082 4.042 3.960 -0.000 0.000 0.684 74 G HA3 0.082 4.042 3.960 -0.000 0.000 0.684 74 G C -1.738 173.313 174.900 0.251 0.000 1.274 74 G CA -0.684 44.603 45.100 0.312 0.000 0.806 74 G HN 0.526 nan 8.290 nan 0.000 0.644 75 K N 0.587 121.057 120.400 0.117 0.000 2.556 75 K HA 0.761 5.081 4.320 -0.000 0.000 0.274 75 K C -0.635 175.875 176.600 -0.150 0.000 0.966 75 K CA -1.060 55.098 56.287 -0.215 0.000 0.865 75 K CB 2.591 34.979 32.500 -0.186 0.000 1.444 75 K HN 1.021 nan 8.250 nan 0.000 0.433 76 W N 0.638 121.712 121.300 -0.377 0.000 3.137 76 W HA 0.512 5.172 4.660 0.000 0.000 0.324 76 W C -1.567 174.840 176.519 -0.186 0.000 1.253 76 W CA -0.718 56.457 57.345 -0.284 0.000 1.183 76 W CB 1.137 30.308 29.460 -0.481 0.000 1.424 76 W HN 0.785 nan 8.180 nan 0.000 0.566 77 E N 1.326 121.777 120.200 0.418 0.000 2.367 77 E HA 0.827 5.177 4.350 -0.000 0.000 0.273 77 E C -0.660 176.172 176.600 0.388 0.000 0.903 77 E CA -0.807 55.820 56.400 0.379 0.000 0.764 77 E CB 2.572 32.436 29.700 0.273 0.000 1.252 77 E HN 0.824 nan 8.360 nan 0.000 0.446 78 G N 0.837 109.843 108.800 0.343 0.000 2.561 78 G HA2 0.346 4.306 3.960 -0.000 0.000 0.310 78 G HA3 0.346 4.306 3.960 -0.000 0.000 0.310 78 G C -1.619 173.387 174.900 0.177 0.000 1.292 78 G CA -0.731 44.497 45.100 0.213 0.000 0.811 78 G HN 0.492 nan 8.290 nan 0.000 0.482 79 E N 0.018 120.299 120.200 0.135 0.000 2.166 79 E HA 0.621 4.971 4.350 -0.000 0.000 0.275 79 E C -0.184 176.513 176.600 0.161 0.000 0.941 79 E CA -0.580 55.903 56.400 0.138 0.000 0.784 79 E CB 1.188 30.962 29.700 0.123 0.000 1.115 79 E HN 0.428 nan 8.360 nan 0.000 0.399 80 L N 3.097 124.412 121.223 0.154 0.000 2.418 80 L HA 0.751 5.091 4.340 -0.000 0.000 0.265 80 L C 0.855 177.819 176.870 0.157 0.000 1.143 80 L CA 0.183 55.113 54.840 0.150 0.000 0.809 80 L CB 1.043 43.175 42.059 0.122 0.000 1.124 80 L HN 0.764 nan 8.230 nan 0.000 0.456 81 G N 0.153 109.044 108.800 0.151 0.000 2.340 81 G HA2 0.496 4.456 3.960 -0.000 0.000 0.299 81 G HA3 0.496 4.456 3.960 -0.000 0.000 0.299 81 G C -1.266 173.695 174.900 0.101 0.000 1.291 81 G CA 0.037 45.192 45.100 0.090 0.000 0.841 81 G HN 0.642 nan 8.290 nan 0.000 0.500 82 T N -2.199 112.372 114.554 0.028 0.000 2.865 82 T HA 0.809 5.159 4.350 -0.000 0.000 0.294 82 T C -1.538 173.244 174.700 0.136 0.000 1.119 82 T CA -0.573 61.581 62.100 0.089 0.000 1.007 82 T CB 2.956 71.850 68.868 0.042 0.000 1.225 82 T HN 0.859 nan 8.240 nan 0.000 0.515 83 D N -0.588 119.911 120.400 0.165 0.000 2.755 83 D HA 0.260 4.900 4.640 -0.000 0.000 0.277 83 D C -1.080 175.314 176.300 0.156 0.000 1.261 83 D CA -0.649 53.466 54.000 0.192 0.000 0.759 83 D CB 1.457 42.438 40.800 0.301 0.000 1.279 83 D HN 0.718 nan 8.370 nan 0.000 0.420 84 L N 1.009 122.314 121.223 0.138 0.000 2.416 84 L HA 0.484 4.824 4.340 -0.000 0.000 0.272 84 L C 0.026 176.976 176.870 0.134 0.000 1.161 84 L CA -0.429 54.480 54.840 0.116 0.000 0.845 84 L CB 0.886 42.999 42.059 0.091 0.000 1.119 84 L HN 0.101 nan 8.230 nan 0.000 0.464 85 V N 2.158 122.165 119.914 0.155 0.000 2.876 85 V HA 0.597 4.717 4.120 -0.000 0.000 0.312 85 V C -0.306 175.877 176.094 0.149 0.000 1.085 85 V CA -0.403 62.009 62.300 0.186 0.000 0.945 85 V CB 2.334 34.363 31.823 0.342 0.000 1.017 85 V HN 0.866 nan 8.190 nan 0.000 0.428 86 S N 3.066 118.828 115.700 0.104 0.000 2.579 86 S HA 0.714 5.184 4.470 -0.000 0.000 0.272 86 S C -1.068 173.552 174.600 0.033 0.000 1.141 86 S CA -0.521 57.721 58.200 0.071 0.000 0.843 86 S CB 1.915 65.140 63.200 0.042 0.000 1.122 86 S HN 0.544 nan 8.310 nan 0.000 0.468 87 I N 2.774 123.360 120.570 0.026 0.000 2.437 87 I HA 0.281 4.451 4.170 -0.000 0.000 0.279 87 I C -2.048 174.052 176.117 -0.028 0.000 1.028 87 I CA -2.229 59.071 61.300 0.000 0.000 1.142 87 I CB 1.811 39.822 38.000 0.017 0.000 1.266 87 I HN 0.385 nan 8.210 nan 0.000 0.461 88 P HA -0.203 nan 4.420 nan 0.000 0.217 88 P C 0.546 177.634 177.300 -0.353 0.000 1.162 88 P CA 1.625 64.573 63.100 -0.254 0.000 0.901 88 P CB 0.062 31.554 31.700 -0.347 0.000 0.793 89 H N -1.071 118.022 119.070 0.038 0.000 2.540 89 H HA 0.525 5.081 4.556 -0.000 0.000 0.264 89 H C 0.957 176.310 175.328 0.042 0.000 1.427 89 H CA 0.096 56.167 56.048 0.039 0.000 1.103 89 H CB -0.310 29.474 29.762 0.038 0.000 1.572 89 H HN 0.136 nan 8.280 nan 0.000 0.511 90 G N 0.877 109.728 108.800 0.086 0.000 3.021 90 G HA2 0.299 4.259 3.960 -0.000 0.000 0.290 90 G HA3 0.299 4.259 3.960 -0.000 0.000 0.290 90 G C -2.716 172.226 174.900 0.068 0.000 1.291 90 G CA -1.335 43.816 45.100 0.086 0.000 0.834 90 G HN -0.061 nan 8.290 nan 0.000 0.564 91 P HA 0.094 nan 4.420 nan 0.000 0.268 91 P C -0.686 176.636 177.300 0.037 0.000 1.205 91 P CA -0.254 62.879 63.100 0.054 0.000 0.771 91 P CB 0.621 32.350 31.700 0.049 0.000 0.858 92 N N 1.938 120.657 118.700 0.031 0.000 2.892 92 N HA 0.155 4.895 4.740 -0.000 0.000 0.300 92 N C 0.204 175.726 175.510 0.020 0.000 1.211 92 N CA 0.195 53.258 53.050 0.022 0.000 1.158 92 N CB -0.495 38.005 38.487 0.021 0.000 1.455 92 N HN 0.292 nan 8.380 nan 0.000 0.524 93 V N -2.110 117.815 119.914 0.019 0.000 3.206 93 V HA 0.717 4.837 4.120 -0.000 0.000 0.305 93 V C -0.223 175.882 176.094 0.019 0.000 1.257 93 V CA -0.774 61.533 62.300 0.013 0.000 1.057 93 V CB 2.306 34.127 31.823 -0.004 0.000 1.075 93 V HN 0.101 nan 8.190 nan 0.000 0.443 94 T N 1.629 116.191 114.554 0.013 0.000 2.991 94 T HA 0.729 5.079 4.350 -0.000 0.000 0.303 94 T C -0.605 174.101 174.700 0.010 0.000 1.015 94 T CA -0.239 61.878 62.100 0.028 0.000 1.007 94 T CB 1.383 70.270 68.868 0.031 0.000 1.034 94 T HN 1.622 nan 8.240 nan 0.000 0.446 95 V N 1.240 121.166 119.914 0.020 0.000 3.074 95 V HA 0.777 4.897 4.120 -0.000 0.000 0.314 95 V C -0.468 175.645 176.094 0.033 0.000 1.117 95 V CA -1.552 60.736 62.300 -0.020 0.000 1.014 95 V CB 2.101 33.844 31.823 -0.134 0.000 1.057 95 V HN 0.829 nan 8.190 nan 0.000 0.438 96 R N 1.637 122.145 120.500 0.012 0.000 2.229 96 R HA 0.805 5.145 4.340 -0.000 0.000 0.332 96 R C -0.378 175.955 176.300 0.056 0.000 0.989 96 R CA 0.229 56.360 56.100 0.052 0.000 0.842 96 R CB 0.939 31.258 30.300 0.032 0.000 1.119 96 R HN 1.260 nan 8.270 nan 0.000 0.456 97 A N 3.946 126.851 122.820 0.142 0.000 2.430 97 A HA 0.409 4.729 4.320 -0.000 0.000 0.300 97 A C -0.971 176.753 177.584 0.233 0.000 1.124 97 A CA -1.057 51.093 52.037 0.188 0.000 0.766 97 A CB 1.243 20.444 19.000 0.335 0.000 1.328 97 A HN 0.893 nan 8.150 nan 0.000 0.424 98 N N -0.358 118.479 118.700 0.229 0.000 2.492 98 N HA 0.470 5.210 4.740 -0.000 0.000 0.260 98 N C -1.022 174.639 175.510 0.253 0.000 1.215 98 N CA 0.516 53.689 53.050 0.204 0.000 0.923 98 N CB 0.537 39.130 38.487 0.177 0.000 1.092 98 N HN 0.489 nan 8.380 nan 0.000 0.448 99 I N 1.111 121.769 120.570 0.147 0.000 2.512 99 I HA 0.347 4.517 4.170 -0.000 0.000 0.287 99 I C -0.683 175.447 176.117 0.020 0.000 1.069 99 I CA -0.930 60.361 61.300 -0.015 0.000 1.056 99 I CB 1.914 39.856 38.000 -0.096 0.000 1.229 99 I HN 0.468 nan 8.210 nan 0.000 0.429 100 A N 5.028 127.807 122.820 -0.067 0.000 2.279 100 A HA 0.745 5.065 4.320 -0.000 0.000 0.306 100 A C 0.358 177.849 177.584 -0.156 0.000 1.300 100 A CA -0.403 51.612 52.037 -0.037 0.000 0.925 100 A CB 0.478 19.481 19.000 0.005 0.000 1.152 100 A HN 0.815 nan 8.150 nan 0.000 0.544 101 A N 4.281 127.101 122.820 0.001 0.000 2.437 101 A HA 0.499 4.819 4.320 -0.000 0.000 0.303 101 A C 0.220 177.780 177.584 -0.042 0.000 1.324 101 A CA -0.327 51.723 52.037 0.021 0.000 0.983 101 A CB -0.596 18.452 19.000 0.079 0.000 1.142 101 A HN 0.778 nan 8.150 nan 0.000 0.541 102 I N 3.247 123.728 120.570 -0.147 0.000 2.662 102 I HA -0.024 4.146 4.170 -0.000 0.000 0.285 102 I C 1.595 177.730 176.117 0.029 0.000 1.161 102 I CA 0.637 61.873 61.300 -0.106 0.000 1.415 102 I CB 0.745 38.636 38.000 -0.181 0.000 1.385 102 I HN 0.817 nan 8.210 nan 0.000 0.552 103 T N 1.165 115.765 114.554 0.076 0.000 2.990 103 T HA 0.307 4.657 4.350 -0.000 0.000 0.250 103 T C 0.379 175.134 174.700 0.092 0.000 1.041 103 T CA -0.132 62.000 62.100 0.053 0.000 1.010 103 T CB 0.314 69.208 68.868 0.044 0.000 1.003 103 T HN 0.584 nan 8.240 nan 0.000 0.499 104 E N 0.576 120.868 120.200 0.153 0.000 2.375 104 E HA 0.611 4.961 4.350 -0.000 0.000 0.280 104 E C -1.357 175.375 176.600 0.221 0.000 0.972 104 E CA -0.714 55.789 56.400 0.172 0.000 0.782 104 E CB 2.433 32.212 29.700 0.132 0.000 1.229 104 E HN 0.356 nan 8.360 nan 0.000 0.439 105 S N 1.125 116.963 115.700 0.230 0.000 2.615 105 S HA 0.664 5.134 4.470 -0.000 0.000 0.269 105 S C -1.811 172.915 174.600 0.210 0.000 1.161 105 S CA -0.984 57.346 58.200 0.217 0.000 0.817 105 S CB 2.150 65.467 63.200 0.195 0.000 1.131 105 S HN 0.453 nan 8.310 nan 0.000 0.467 106 D N 0.176 120.692 120.400 0.194 0.000 2.890 106 D HA 0.312 4.952 4.640 -0.000 0.000 0.233 106 D C -0.905 175.517 176.300 0.204 0.000 1.306 106 D CA -0.303 53.804 54.000 0.179 0.000 0.929 106 D CB 1.271 42.151 40.800 0.134 0.000 1.512 106 D HN 0.790 nan 8.370 nan 0.000 0.568 107 K N 1.851 122.376 120.400 0.208 0.000 3.088 107 K HA -0.253 4.067 4.320 -0.000 0.000 0.273 107 K C 0.351 177.108 176.600 0.263 0.000 1.111 107 K CA 0.709 57.123 56.287 0.211 0.000 0.803 107 K CB -1.233 31.369 32.500 0.169 0.000 1.226 107 K HN 0.380 nan 8.250 nan 0.000 0.485 108 F N 0.326 120.317 119.950 0.068 0.000 2.304 108 F HA 0.266 4.793 4.527 0.000 0.000 0.267 108 F C 0.685 176.483 175.800 -0.003 0.000 1.062 108 F CA -0.033 57.966 58.000 -0.002 0.000 1.112 108 F CB 0.059 38.965 39.000 -0.156 0.000 1.118 108 F HN -0.062 nan 8.300 nan 0.000 0.575 109 F N 2.348 122.235 119.950 -0.105 0.000 2.608 109 F HA 0.143 4.670 4.527 0.000 0.000 0.380 109 F C 0.196 175.898 175.800 -0.165 0.000 1.083 109 F CA 0.146 57.898 58.000 -0.414 0.000 1.266 109 F CB -0.065 38.680 39.000 -0.426 0.000 1.076 109 F HN -0.154 nan 8.300 nan 0.000 0.574 110 I N 2.926 123.320 120.570 -0.295 0.000 2.437 110 I HA 0.110 4.280 4.170 -0.000 0.000 0.298 110 I C 0.303 176.096 176.117 -0.541 0.000 0.984 110 I CA -0.700 60.456 61.300 -0.239 0.000 1.214 110 I CB 1.299 39.149 38.000 -0.249 0.000 1.365 110 I HN 0.578 nan 8.210 nan 0.000 0.469 111 N N 4.296 122.377 118.700 -1.031 0.000 2.374 111 N HA -0.014 4.726 4.740 -0.000 0.000 0.269 111 N C 0.782 175.876 175.510 -0.693 0.000 1.310 111 N CA 0.492 52.596 53.050 -1.576 0.000 0.877 111 N CB 0.296 37.912 38.487 -1.452 0.000 1.096 111 N HN 0.983 nan 8.380 nan 0.000 0.484 112 G N 2.748 111.229 108.800 -0.532 0.000 2.386 112 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.295 112 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.295 112 G C 0.771 175.532 174.900 -0.232 0.000 0.979 112 G CA 0.692 45.646 45.100 -0.242 0.000 1.193 112 G HN 0.755 nan 8.290 nan 0.000 0.508 113 S N -0.729 114.752 115.700 -0.366 0.000 2.492 113 S HA 0.139 4.609 4.470 -0.000 0.000 0.218 113 S C 1.306 175.771 174.600 -0.225 0.000 1.016 113 S CA 0.997 58.997 58.200 -0.333 0.000 0.916 113 S CB 0.111 62.892 63.200 -0.698 0.000 0.791 113 S HN 1.556 nan 8.310 nan 0.000 0.513 114 N N 0.294 118.823 118.700 -0.285 0.000 2.994 114 N HA -0.111 4.629 4.740 -0.000 0.000 0.221 114 N C -0.431 174.842 175.510 -0.395 0.000 0.900 114 N CA 1.384 54.295 53.050 -0.232 0.000 1.008 114 N CB -1.747 36.654 38.487 -0.143 0.000 1.053 114 N HN 0.856 nan 8.380 nan 0.000 0.580 115 W N -0.023 121.065 121.300 -0.355 0.000 2.627 115 W HA 0.718 5.378 4.660 -0.000 0.000 0.339 115 W C -0.103 176.337 176.519 -0.132 0.000 1.058 115 W CA -0.574 56.575 57.345 -0.326 0.000 1.223 115 W CB 0.600 29.928 29.460 -0.220 0.000 1.389 115 W HN -0.042 nan 8.180 nan 0.000 0.541 116 E N 1.500 121.854 120.200 0.258 0.000 2.660 116 E HA 0.365 4.715 4.350 -0.000 0.000 0.216 116 E C 0.491 177.330 176.600 0.398 0.000 0.986 116 E CA -0.086 56.423 56.400 0.181 0.000 1.037 116 E CB 1.350 31.051 29.700 0.000 0.000 1.041 116 E HN 0.640 nan 8.360 nan 0.000 0.480 117 G N 0.091 109.185 108.800 0.490 0.000 2.663 117 G HA2 0.662 4.622 3.960 -0.000 0.000 0.299 117 G HA3 0.662 4.622 3.960 -0.000 0.000 0.299 117 G C -1.745 173.307 174.900 0.252 0.000 1.372 117 G CA -0.684 44.621 45.100 0.342 0.000 0.781 117 G HN 0.075 nan 8.290 nan 0.000 0.491 118 I N -0.467 120.223 120.570 0.199 0.000 2.686 118 I HA 0.640 4.810 4.170 -0.000 0.000 0.295 118 I C -1.699 174.556 176.117 0.229 0.000 1.114 118 I CA -1.179 60.198 61.300 0.130 0.000 1.038 118 I CB 2.215 40.366 38.000 0.252 0.000 1.238 118 I HN 0.450 nan 8.210 nan 0.000 0.420 119 L N 7.602 128.874 121.223 0.081 0.000 2.337 119 L HA 0.620 4.960 4.340 -0.000 0.000 0.269 119 L C 0.010 176.866 176.870 -0.024 0.000 1.018 119 L CA -0.061 54.778 54.840 -0.001 0.000 0.876 119 L CB 0.983 42.887 42.059 -0.258 0.000 1.236 119 L HN 0.630 nan 8.230 nan 0.000 0.436 120 G N 4.952 113.807 108.800 0.092 0.000 2.372 120 G HA2 0.351 4.311 3.960 -0.000 0.000 0.286 120 G HA3 0.351 4.311 3.960 -0.000 0.000 0.286 120 G C 0.437 175.344 174.900 0.013 0.000 1.153 120 G CA -0.359 44.790 45.100 0.081 0.000 0.985 120 G HN 0.721 nan 8.290 nan 0.000 0.429 121 L N 2.081 123.266 121.223 -0.064 0.000 2.628 121 L HA 0.270 4.610 4.340 -0.000 0.000 0.229 121 L C 1.830 178.691 176.870 -0.014 0.000 1.137 121 L CA -0.188 54.575 54.840 -0.128 0.000 0.909 121 L CB -0.128 41.654 42.059 -0.463 0.000 1.137 121 L HN 0.569 nan 8.230 nan 0.000 0.470 122 A N -0.900 121.901 122.820 -0.030 0.000 2.250 122 A HA 0.420 4.740 4.320 -0.000 0.000 0.283 122 A C -0.590 176.802 177.584 -0.321 0.000 1.206 122 A CA -0.209 51.669 52.037 -0.267 0.000 0.840 122 A CB 0.060 18.969 19.000 -0.152 0.000 1.220 122 A HN 0.105 nan 8.150 nan 0.000 0.505 123 Y N -1.303 118.901 120.300 -0.161 0.000 2.298 123 Y HA 0.382 4.932 4.550 0.000 0.000 0.329 123 Y C 1.706 177.598 175.900 -0.013 0.000 1.293 123 Y CA 0.337 58.407 58.100 -0.050 0.000 1.388 123 Y CB 0.642 39.077 38.460 -0.043 0.000 1.309 123 Y HN 0.685 nan 8.280 nan 0.000 0.544 124 A N 0.883 123.820 122.820 0.195 0.000 1.948 124 A HA -0.280 4.040 4.320 -0.000 0.000 0.220 124 A C 1.993 179.631 177.584 0.090 0.000 1.177 124 A CA 1.969 54.077 52.037 0.117 0.000 0.636 124 A CB -0.888 18.176 19.000 0.106 0.000 0.815 124 A HN 0.957 nan 8.150 nan 0.000 0.449 125 E N 0.258 120.524 120.200 0.111 0.000 2.253 125 E HA -0.212 4.138 4.350 -0.000 0.000 0.202 125 E C 1.443 178.085 176.600 0.071 0.000 1.014 125 E CA 1.754 58.205 56.400 0.084 0.000 0.823 125 E CB -0.350 29.411 29.700 0.101 0.000 0.736 125 E HN 0.835 nan 8.360 nan 0.000 0.478 126 I N -3.341 117.245 120.570 0.027 0.000 4.025 126 I HA 0.462 4.632 4.170 -0.000 0.000 0.336 126 I C 0.581 176.666 176.117 -0.054 0.000 1.390 126 I CA -0.529 60.737 61.300 -0.056 0.000 1.099 126 I CB 0.318 38.140 38.000 -0.297 0.000 1.049 126 I HN -0.013 nan 8.210 nan 0.000 0.394 127 A N 1.953 124.770 122.820 -0.006 0.000 2.366 127 A HA 0.629 4.949 4.320 -0.000 0.000 0.249 127 A C 0.024 177.602 177.584 -0.011 0.000 1.084 127 A CA -0.247 51.794 52.037 0.008 0.000 0.794 127 A CB 0.417 19.449 19.000 0.054 0.000 1.034 127 A HN 0.341 nan 8.150 nan 0.000 0.491 128 R N 0.725 121.210 120.500 -0.025 0.000 2.664 128 R HA 0.411 4.751 4.340 -0.000 0.000 0.286 128 R C -2.310 174.001 176.300 0.017 0.000 0.967 128 R CA -2.428 53.648 56.100 -0.041 0.000 0.933 128 R CB 0.484 30.695 30.300 -0.148 0.000 1.146 128 R HN 0.387 nan 8.270 nan 0.000 0.468 129 P HA -0.077 nan 4.420 nan 0.000 0.219 129 P C -0.404 176.904 177.300 0.013 0.000 1.150 129 P CA 1.316 64.426 63.100 0.017 0.000 0.814 129 P CB 0.401 32.120 31.700 0.031 0.000 0.787 130 D N -2.819 117.595 120.400 0.022 0.000 2.665 130 D HA 0.008 4.648 4.640 -0.000 0.000 0.287 130 D C -0.571 175.748 176.300 0.030 0.000 1.266 130 D CA -0.466 53.546 54.000 0.021 0.000 0.830 130 D CB 0.299 41.110 40.800 0.019 0.000 1.356 130 D HN -0.149 nan 8.370 nan 0.000 0.437 131 D N -0.759 119.659 120.400 0.029 0.000 2.411 131 D HA -0.161 4.479 4.640 -0.000 0.000 0.226 131 D C 1.424 177.748 176.300 0.041 0.000 0.988 131 D CA 0.979 55.002 54.000 0.038 0.000 0.938 131 D CB -0.348 40.472 40.800 0.034 0.000 0.883 131 D HN 0.287 nan 8.370 nan 0.000 0.525 132 S N -0.873 114.849 115.700 0.036 0.000 2.558 132 S HA 0.024 4.494 4.470 -0.000 0.000 0.217 132 S C 0.738 175.365 174.600 0.045 0.000 0.975 132 S CA -0.664 57.557 58.200 0.035 0.000 0.912 132 S CB -0.363 62.853 63.200 0.028 0.000 0.776 132 S HN 0.230 nan 8.310 nan 0.000 0.526 133 L N 3.420 124.676 121.223 0.056 0.000 2.328 133 L HA 0.399 4.739 4.340 -0.000 0.000 0.280 133 L C 0.133 177.053 176.870 0.082 0.000 1.111 133 L CA -0.346 54.537 54.840 0.072 0.000 0.909 133 L CB 0.146 42.255 42.059 0.085 0.000 1.277 133 L HN 0.308 nan 8.230 nan 0.000 0.433 134 E N 6.118 126.361 120.200 0.073 0.000 2.585 134 E HA 0.036 4.386 4.350 -0.000 0.000 0.252 134 E C -2.125 174.533 176.600 0.097 0.000 0.981 134 E CA -1.204 55.239 56.400 0.072 0.000 0.943 134 E CB 0.505 30.231 29.700 0.044 0.000 0.923 134 E HN 0.427 nan 8.360 nan 0.000 0.486 135 P HA -0.045 nan 4.420 nan 0.000 0.270 135 P C -0.031 177.347 177.300 0.130 0.000 1.223 135 P CA -0.195 62.990 63.100 0.141 0.000 0.785 135 P CB 0.361 32.131 31.700 0.118 0.000 0.923 136 F N 2.123 122.091 119.950 0.031 0.000 2.063 136 F HA -0.273 4.254 4.527 -0.000 0.000 0.298 136 F C 1.987 177.766 175.800 -0.036 0.000 1.109 136 F CA 1.663 59.628 58.000 -0.058 0.000 1.212 136 F CB -0.817 38.020 39.000 -0.271 0.000 0.973 136 F HN 0.223 nan 8.300 nan 0.000 0.480 137 F N 1.395 121.264 119.950 -0.134 0.000 2.161 137 F HA -0.227 4.300 4.527 -0.000 0.000 0.300 137 F C 2.380 178.068 175.800 -0.188 0.000 1.089 137 F CA 2.113 60.000 58.000 -0.188 0.000 1.282 137 F CB -0.628 38.356 39.000 -0.027 0.000 1.010 137 F HN 0.073 nan 8.300 nan 0.000 0.485 138 D N -0.811 119.597 120.400 0.014 0.000 2.117 138 D HA -0.153 4.487 4.640 -0.000 0.000 0.197 138 D C 2.369 178.572 176.300 -0.161 0.000 0.987 138 D CA 1.669 55.659 54.000 -0.016 0.000 0.829 138 D CB -0.246 40.585 40.800 0.053 0.000 0.961 138 D HN 0.261 nan 8.370 nan 0.000 0.460 139 S N 1.121 116.684 115.700 -0.229 0.000 2.356 139 S HA -0.152 4.318 4.470 -0.000 0.000 0.223 139 S C 1.991 176.361 174.600 -0.383 0.000 1.032 139 S CA 0.437 58.477 58.200 -0.266 0.000 1.005 139 S CB -0.380 62.661 63.200 -0.264 0.000 0.867 139 S HN 0.151 nan 8.310 nan 0.000 0.449 140 L N 2.084 122.928 121.223 -0.632 0.000 1.990 140 L HA -0.102 4.238 4.340 -0.000 0.000 0.213 140 L C 2.192 178.780 176.870 -0.470 0.000 1.072 140 L CA 1.752 56.205 54.840 -0.645 0.000 0.755 140 L CB -0.740 40.771 42.059 -0.913 0.000 0.889 140 L HN 0.156 nan 8.230 nan 0.000 0.432 141 V N -0.581 119.043 119.914 -0.483 0.000 2.515 141 V HA -0.246 3.874 4.120 -0.000 0.000 0.250 141 V C 2.575 178.541 176.094 -0.212 0.000 1.058 141 V CA 1.902 64.013 62.300 -0.315 0.000 1.064 141 V CB -0.651 31.043 31.823 -0.215 0.000 0.675 141 V HN 0.454 nan 8.190 nan 0.000 0.461 142 K N -0.426 119.860 120.400 -0.191 0.000 2.116 142 K HA -0.087 4.233 4.320 -0.000 0.000 0.203 142 K C 2.124 178.621 176.600 -0.171 0.000 1.052 142 K CA 1.035 57.233 56.287 -0.149 0.000 0.952 142 K CB -0.054 32.383 32.500 -0.106 0.000 0.729 142 K HN 0.506 nan 8.250 nan 0.000 0.446 143 Q N 0.097 119.785 119.800 -0.186 0.000 2.424 143 Q HA -0.016 4.324 4.340 -0.000 0.000 0.204 143 Q C 0.592 176.485 176.000 -0.177 0.000 0.933 143 Q CA 0.677 56.383 55.803 -0.162 0.000 0.929 143 Q CB 0.698 29.353 28.738 -0.139 0.000 1.037 143 Q HN 0.296 nan 8.270 nan 0.000 0.511 144 T N -4.167 110.258 114.554 -0.216 0.000 2.742 144 T HA 0.293 4.643 4.350 -0.000 0.000 0.282 144 T C -0.132 174.404 174.700 -0.274 0.000 1.025 144 T CA -0.798 61.194 62.100 -0.180 0.000 1.020 144 T CB 0.938 69.745 68.868 -0.102 0.000 1.317 144 T HN 0.015 nan 8.240 nan 0.000 0.538 145 H N -0.883 118.156 119.070 -0.052 0.000 2.517 145 H HA 0.462 5.018 4.556 -0.000 0.000 0.282 145 H C 0.206 175.517 175.328 -0.029 0.000 1.023 145 H CA -0.236 55.792 56.048 -0.033 0.000 1.169 145 H CB -0.135 29.617 29.762 -0.016 0.000 1.454 145 H HN 0.297 nan 8.280 nan 0.000 0.556 146 V N 3.275 123.197 119.914 0.013 0.000 2.458 146 V HA 0.006 4.126 4.120 -0.000 0.000 0.287 146 V C -1.804 174.298 176.094 0.012 0.000 1.009 146 V CA -1.377 60.922 62.300 -0.001 0.000 1.091 146 V CB 0.234 32.005 31.823 -0.086 0.000 0.960 146 V HN 0.210 nan 8.190 nan 0.000 0.476 147 P HA -0.038 nan 4.420 nan 0.000 0.263 147 P C 0.129 177.533 177.300 0.173 0.000 1.175 147 P CA 0.076 63.240 63.100 0.108 0.000 0.761 147 P CB 0.214 31.984 31.700 0.116 0.000 0.794 148 N N 3.848 122.659 118.700 0.185 0.000 2.892 148 N HA 0.157 4.897 4.740 -0.000 0.000 0.300 148 N C -0.783 174.947 175.510 0.367 0.000 1.211 148 N CA 0.378 53.623 53.050 0.324 0.000 1.158 148 N CB -1.116 37.511 38.487 0.234 0.000 1.455 148 N HN 0.355 nan 8.380 nan 0.000 0.524 149 L N 1.399 122.904 121.223 0.470 0.000 2.731 149 L HA 0.551 4.890 4.340 -0.000 0.000 0.256 149 L C -1.952 175.103 176.870 0.309 0.000 0.947 149 L CA -0.931 54.046 54.840 0.229 0.000 0.914 149 L CB 0.864 42.988 42.059 0.109 0.000 1.470 149 L HN 0.146 nan 8.230 nan 0.000 0.421 150 F N 1.133 121.073 119.950 -0.018 0.000 2.631 150 F HA 0.905 5.432 4.527 -0.000 0.000 0.308 150 F C -1.128 174.644 175.800 -0.048 0.000 1.097 150 F CA -0.283 57.697 58.000 -0.033 0.000 0.952 150 F CB 1.699 40.586 39.000 -0.190 0.000 1.307 150 F HN 0.534 nan 8.300 nan 0.000 0.450 151 S N 2.343 118.133 115.700 0.150 0.000 2.548 151 S HA 0.866 5.336 4.470 -0.000 0.000 0.286 151 S C -1.519 173.161 174.600 0.133 0.000 1.098 151 S CA -0.848 57.310 58.200 -0.069 0.000 0.930 151 S CB 1.984 64.973 63.200 -0.351 0.000 1.070 151 S HN 0.868 nan 8.310 nan 0.000 0.480 152 L N 1.704 122.951 121.223 0.040 0.000 2.365 152 L HA 0.583 4.923 4.340 -0.000 0.000 0.273 152 L C -0.491 176.470 176.870 0.151 0.000 1.000 152 L CA -0.436 54.476 54.840 0.121 0.000 0.819 152 L CB 2.114 44.249 42.059 0.126 0.000 1.284 152 L HN 0.802 nan 8.230 nan 0.000 0.418 153 Q N 4.888 124.791 119.800 0.170 0.000 2.394 153 Q HA 0.481 4.821 4.340 -0.000 0.000 0.261 153 Q C -1.855 174.123 176.000 -0.036 0.000 1.023 153 Q CA -0.540 55.354 55.803 0.152 0.000 0.720 153 Q CB 1.320 30.142 28.738 0.140 0.000 1.241 153 Q HN 0.626 nan 8.270 nan 0.000 0.483 154 L N 3.556 124.692 121.223 -0.145 0.000 2.272 154 L HA 0.527 4.867 4.340 -0.000 0.000 0.289 154 L C -0.508 176.301 176.870 -0.102 0.000 1.032 154 L CA -0.890 53.712 54.840 -0.398 0.000 0.810 154 L CB 1.217 42.794 42.059 -0.804 0.000 1.205 154 L HN 0.632 nan 8.230 nan 0.000 0.422 155 C N 2.679 122.025 119.300 0.077 0.000 2.350 155 C HA 0.610 5.070 4.460 -0.000 0.000 0.348 155 C C 1.344 176.440 174.990 0.177 0.000 1.260 155 C CA -0.685 58.398 59.018 0.109 0.000 1.966 155 C CB 0.654 28.445 27.740 0.083 0.000 2.380 155 C HN 0.975 nan 8.230 nan 0.000 0.535 156 G N 1.561 110.416 108.800 0.092 0.000 2.486 156 G HA2 0.512 4.472 3.960 -0.000 0.000 0.272 156 G HA3 0.512 4.472 3.960 -0.000 0.000 0.272 156 G C 0.134 175.067 174.900 0.056 0.000 1.426 156 G CA 0.288 45.437 45.100 0.082 0.000 1.058 156 G HN 1.124 nan 8.290 nan 0.000 0.531 169 S N -0.419 115.271 115.700 -0.017 0.000 2.632 169 S HA 0.826 5.296 4.470 -0.000 0.000 0.271 169 S C -0.132 174.441 174.600 -0.045 0.000 1.260 169 S CA -0.307 57.875 58.200 -0.030 0.000 1.010 169 S CB 1.312 64.502 63.200 -0.016 0.000 0.965 169 S HN 1.635 nan 8.310 nan 0.000 0.534 170 V N 0.257 120.117 119.914 -0.089 0.000 3.141 170 V HA 0.935 5.055 4.120 -0.000 0.000 0.312 170 V C 0.613 176.660 176.094 -0.078 0.000 1.157 170 V CA -0.191 62.056 62.300 -0.087 0.000 1.041 170 V CB 2.110 33.826 31.823 -0.178 0.000 1.071 170 V HN 1.299 nan 8.190 nan 0.000 0.441 171 G N -1.061 107.762 108.800 0.038 0.000 2.687 171 G HA2 0.866 4.826 3.960 -0.000 0.000 0.291 171 G HA3 0.866 4.826 3.960 -0.000 0.000 0.291 171 G C -0.634 174.370 174.900 0.173 0.000 1.420 171 G CA -0.051 45.085 45.100 0.060 0.000 0.796 171 G HN 1.379 nan 8.290 nan 0.000 0.485 172 G N -1.506 107.351 108.800 0.094 0.000 2.340 172 G HA2 0.596 4.556 3.960 -0.000 0.000 0.299 172 G HA3 0.596 4.556 3.960 -0.000 0.000 0.299 172 G C -1.421 173.493 174.900 0.024 0.000 1.291 172 G CA 0.071 45.205 45.100 0.055 0.000 0.841 172 G HN 1.215 nan 8.290 nan 0.000 0.500 173 S N -0.417 115.298 115.700 0.025 0.000 2.536 173 S HA 0.695 5.165 4.470 -0.000 0.000 0.287 173 S C -0.615 174.031 174.600 0.078 0.000 1.101 173 S CA -0.494 57.734 58.200 0.047 0.000 0.950 173 S CB 1.691 64.920 63.200 0.049 0.000 1.056 173 S HN 0.810 nan 8.310 nan 0.000 0.481 174 M N 4.399 124.046 119.600 0.080 0.000 2.053 174 M HA 0.493 4.973 4.480 -0.000 0.000 0.297 174 M C -1.810 174.570 176.300 0.134 0.000 0.921 174 M CA -0.601 54.756 55.300 0.096 0.000 0.918 174 M CB 0.321 32.935 32.600 0.023 0.000 1.499 174 M HN 0.438 nan 8.290 nan 0.000 0.422 175 I N 6.528 127.213 120.570 0.192 0.000 2.281 175 I HA 0.231 4.401 4.170 -0.000 0.000 0.293 175 I C -0.051 176.207 176.117 0.234 0.000 1.085 175 I CA -0.407 61.011 61.300 0.197 0.000 1.257 175 I CB 0.179 38.313 38.000 0.224 0.000 1.430 175 I HN 0.632 nan 8.210 nan 0.000 0.489 176 I N 5.516 126.218 120.570 0.220 0.000 2.379 176 I HA 0.246 4.416 4.170 -0.000 0.000 0.290 176 I C 1.332 177.607 176.117 0.262 0.000 1.063 176 I CA 0.347 61.824 61.300 0.295 0.000 1.351 176 I CB 0.320 38.463 38.000 0.238 0.000 1.410 176 I HN 0.877 nan 8.210 nan 0.000 0.505 177 G N 4.301 113.301 108.800 0.333 0.000 2.176 177 G HA2 -0.060 3.900 3.960 -0.000 0.000 0.232 177 G HA3 -0.060 3.900 3.960 -0.000 0.000 0.232 177 G C 0.355 175.365 174.900 0.184 0.000 0.986 177 G CA -0.081 45.162 45.100 0.238 0.000 0.643 177 G HN 1.240 nan 8.290 nan 0.000 0.522 178 G N -1.211 107.697 108.800 0.180 0.000 2.341 178 G HA2 0.567 4.527 3.960 -0.000 0.000 0.299 178 G HA3 0.567 4.527 3.960 -0.000 0.000 0.299 178 G C -1.562 173.419 174.900 0.134 0.000 1.274 178 G CA -0.312 44.872 45.100 0.139 0.000 0.853 178 G HN 0.802 nan 8.290 nan 0.000 0.493 179 I N 1.076 121.728 120.570 0.137 0.000 2.433 179 I HA 0.350 4.520 4.170 -0.000 0.000 0.292 179 I C -1.239 175.005 176.117 0.212 0.000 1.001 179 I CA -0.657 60.749 61.300 0.177 0.000 1.119 179 I CB 2.183 40.228 38.000 0.076 0.000 1.289 179 I HN 0.357 nan 8.210 nan 0.000 0.438 180 D N 5.415 125.974 120.400 0.265 0.000 2.392 180 D HA 0.166 4.806 4.640 -0.000 0.000 0.228 180 D C 1.000 177.341 176.300 0.068 0.000 1.074 180 D CA -0.246 53.842 54.000 0.146 0.000 0.838 180 D CB 0.846 41.699 40.800 0.087 0.000 1.067 180 D HN 0.538 nan 8.370 nan 0.000 0.511 181 H N 1.707 120.828 119.070 0.085 0.000 2.489 181 H HA -0.111 4.444 4.556 -0.000 0.000 0.295 181 H C 1.681 176.843 175.328 -0.276 0.000 1.082 181 H CA 1.336 57.325 56.048 -0.098 0.000 1.295 181 H CB 0.422 30.121 29.762 -0.105 0.000 1.380 181 H HN 0.386 nan 8.280 nan 0.000 0.548 182 S N 0.227 115.882 115.700 -0.076 0.000 2.603 182 S HA 0.050 4.520 4.470 -0.000 0.000 0.220 182 S C 1.764 176.256 174.600 -0.180 0.000 0.967 182 S CA -0.021 58.105 58.200 -0.123 0.000 0.920 182 S CB -0.299 62.861 63.200 -0.067 0.000 0.773 182 S HN 0.280 nan 8.310 nan 0.000 0.529 183 L N 0.346 121.407 121.223 -0.269 0.000 2.607 183 L HA 0.364 4.704 4.340 -0.000 0.000 0.228 183 L C 0.266 176.957 176.870 -0.298 0.000 1.123 183 L CA -0.229 54.376 54.840 -0.392 0.000 0.890 183 L CB -0.232 41.350 42.059 -0.795 0.000 1.103 183 L HN 0.599 nan 8.230 nan 0.000 0.468 184 Y N -2.256 117.849 120.300 -0.325 0.000 2.638 184 Y HA 0.648 5.198 4.550 0.000 0.000 0.335 184 Y C -0.548 175.300 175.900 -0.087 0.000 1.155 184 Y CA -1.513 56.490 58.100 -0.161 0.000 1.046 184 Y CB 0.904 39.334 38.460 -0.051 0.000 1.303 184 Y HN -0.090 nan 8.280 nan 0.000 0.460 185 T N -0.728 113.825 114.554 -0.002 0.000 2.916 185 T HA 0.809 5.159 4.350 -0.000 0.000 0.292 185 T C 0.366 175.136 174.700 0.116 0.000 1.055 185 T CA -0.302 61.748 62.100 -0.083 0.000 1.009 185 T CB 1.107 69.899 68.868 -0.127 0.000 1.118 185 T HN 2.357 nan 8.240 nan 0.000 0.497 186 G N 1.313 110.156 108.800 0.072 0.000 2.645 186 G HA2 -0.052 3.908 3.960 -0.000 0.000 0.239 186 G HA3 -0.052 3.908 3.960 -0.000 0.000 0.239 186 G C -0.208 174.835 174.900 0.237 0.000 1.331 186 G CA -0.289 44.897 45.100 0.144 0.000 0.890 186 G HN 1.182 nan 8.290 nan 0.000 0.572 187 S N -0.683 115.140 115.700 0.205 0.000 2.617 187 S HA 0.650 5.120 4.470 -0.000 0.000 0.283 187 S C 0.485 175.090 174.600 0.008 0.000 1.189 187 S CA -0.528 57.726 58.200 0.091 0.000 1.036 187 S CB 1.328 64.490 63.200 -0.064 0.000 1.014 187 S HN 0.625 nan 8.310 nan 0.000 0.522 188 L N 2.091 123.191 121.223 -0.204 0.000 2.305 188 L HA 0.390 4.730 4.340 -0.000 0.000 0.281 188 L C -1.128 175.382 176.870 -0.601 0.000 1.085 188 L CA -0.271 54.326 54.840 -0.405 0.000 0.813 188 L CB 0.625 42.384 42.059 -0.501 0.000 1.157 188 L HN 0.650 nan 8.230 nan 0.000 0.436 189 W N 2.597 123.516 121.300 -0.636 0.000 2.632 189 W HA 0.467 5.127 4.660 -0.000 0.000 0.328 189 W C -0.749 175.260 176.519 -0.851 0.000 1.044 189 W CA -0.244 56.587 57.345 -0.857 0.000 1.225 189 W CB 1.166 29.657 29.460 -1.615 0.000 1.396 189 W HN 0.191 nan 8.180 nan 0.000 0.499 190 Y N 1.292 121.474 120.300 -0.197 0.000 2.409 190 Y HA 0.572 5.122 4.550 -0.000 0.000 0.339 190 Y C 0.458 176.605 175.900 0.412 0.000 1.033 190 Y CA -0.861 57.285 58.100 0.078 0.000 1.094 190 Y CB 2.294 40.745 38.460 -0.015 0.000 1.210 190 Y HN 0.137 nan 8.280 nan 0.000 0.456 191 T N 4.696 119.582 114.554 0.553 0.000 2.841 191 T HA 0.494 4.844 4.350 -0.000 0.000 0.283 191 T C -2.881 171.992 174.700 0.288 0.000 1.000 191 T CA -2.510 59.849 62.100 0.431 0.000 0.977 191 T CB 1.101 70.168 68.868 0.332 0.000 0.979 191 T HN 0.230 nan 8.240 nan 0.000 0.446 192 P HA 0.273 nan 4.420 nan 0.000 0.268 192 P C -0.533 176.873 177.300 0.176 0.000 1.205 192 P CA -0.189 63.012 63.100 0.170 0.000 0.771 192 P CB 0.310 32.090 31.700 0.133 0.000 0.858 193 I N 3.573 124.249 120.570 0.177 0.000 2.322 193 I HA 0.157 4.327 4.170 -0.000 0.000 0.292 193 I C 1.995 178.211 176.117 0.166 0.000 1.060 193 I CA -0.122 61.307 61.300 0.214 0.000 1.309 193 I CB 0.474 38.632 38.000 0.262 0.000 1.415 193 I HN 0.447 nan 8.210 nan 0.000 0.492 194 R N 5.929 126.538 120.500 0.182 0.000 2.091 194 R HA -0.056 4.284 4.340 -0.000 0.000 0.238 194 R C 0.773 177.145 176.300 0.119 0.000 1.136 194 R CA 1.412 57.602 56.100 0.150 0.000 0.959 194 R CB 0.265 30.674 30.300 0.182 0.000 0.856 194 R HN 0.630 nan 8.270 nan 0.000 0.437 195 R N -0.035 120.570 120.500 0.175 0.000 2.594 195 R HA 0.088 4.428 4.340 -0.000 0.000 0.265 195 R C -1.713 174.667 176.300 0.133 0.000 1.070 195 R CA -0.503 55.641 56.100 0.074 0.000 0.909 195 R CB 1.429 31.699 30.300 -0.050 0.000 1.243 195 R HN 0.052 nan 8.270 nan 0.000 0.455 196 E N 4.797 124.895 120.200 -0.170 0.000 1.865 196 E HA 0.107 4.457 4.350 -0.000 0.000 0.269 196 E C -0.246 176.262 176.600 -0.153 0.000 1.177 196 E CA 0.020 56.048 56.400 -0.620 0.000 0.932 196 E CB 0.267 29.238 29.700 -1.216 0.000 1.066 196 E HN 0.508 nan 8.360 nan 0.000 0.405 197 W N 1.983 123.218 121.300 -0.109 0.000 4.498 197 W HA 0.161 4.821 4.660 0.000 0.000 0.164 197 W C -0.489 176.010 176.519 -0.033 0.000 3.467 197 W CA -0.302 57.017 57.345 -0.044 0.000 1.166 197 W CB -0.423 28.986 29.460 -0.085 0.000 2.101 197 W HN 0.089 nan 8.180 nan 0.000 0.372 198 Y N 0.658 120.741 120.300 -0.361 0.000 2.344 198 Y HA 0.362 4.912 4.550 -0.000 0.000 0.330 198 Y C -0.131 175.688 175.900 -0.135 0.000 1.330 198 Y CA -0.388 57.503 58.100 -0.349 0.000 1.479 198 Y CB 0.120 38.230 38.460 -0.584 0.000 1.428 198 Y HN -0.156 nan 8.280 nan 0.000 0.544 199 Y N 0.953 121.448 120.300 0.325 0.000 2.636 199 Y HA 0.124 4.674 4.550 0.000 0.000 0.341 199 Y C 0.286 176.340 175.900 0.257 0.000 1.169 199 Y CA -0.400 57.918 58.100 0.364 0.000 1.498 199 Y CB -0.147 38.564 38.460 0.419 0.000 1.362 199 Y HN 0.418 nan 8.280 nan 0.000 0.494 200 E N 3.067 123.470 120.200 0.339 0.000 2.259 200 E HA 0.477 4.827 4.350 -0.000 0.000 0.281 200 E C -0.903 175.855 176.600 0.262 0.000 1.027 200 E CA -0.647 55.922 56.400 0.281 0.000 0.838 200 E CB 0.824 30.775 29.700 0.419 0.000 1.066 200 E HN 0.404 nan 8.360 nan 0.000 0.401 201 V N 1.803 121.836 119.914 0.198 0.000 3.102 201 V HA 0.613 4.733 4.120 -0.000 0.000 0.312 201 V C -0.492 175.673 176.094 0.119 0.000 1.135 201 V CA -1.024 61.371 62.300 0.159 0.000 1.022 201 V CB 1.673 33.580 31.823 0.141 0.000 1.056 201 V HN 0.642 nan 8.190 nan 0.000 0.436 202 I N 2.474 123.097 120.570 0.089 0.000 2.362 202 I HA 0.474 4.644 4.170 -0.000 0.000 0.289 202 I C -0.522 175.609 176.117 0.022 0.000 0.994 202 I CA -0.445 60.901 61.300 0.077 0.000 1.158 202 I CB 1.680 39.733 38.000 0.088 0.000 1.315 202 I HN 0.507 nan 8.210 nan 0.000 0.451 203 I N 6.693 127.283 120.570 0.033 0.000 2.365 203 I HA 0.111 4.281 4.170 -0.000 0.000 0.291 203 I C 1.075 177.233 176.117 0.068 0.000 1.004 203 I CA -0.231 61.057 61.300 -0.020 0.000 1.311 203 I CB 1.641 39.614 38.000 -0.045 0.000 1.401 203 I HN 0.494 nan 8.210 nan 0.000 0.491 204 V N 2.849 122.777 119.914 0.023 0.000 3.477 204 V HA 0.442 4.562 4.120 -0.000 0.000 0.297 204 V C 0.374 176.514 176.094 0.077 0.000 1.433 204 V CA -0.036 62.311 62.300 0.078 0.000 1.052 204 V CB -0.078 31.758 31.823 0.022 0.000 0.895 204 V HN 0.897 nan 8.190 nan 0.000 0.438 205 R N -0.245 120.237 120.500 -0.030 0.000 2.725 205 R HA 0.614 4.954 4.340 -0.000 0.000 0.254 205 R C -2.551 173.591 176.300 -0.263 0.000 1.076 205 R CA -0.307 55.711 56.100 -0.137 0.000 0.940 205 R CB 2.397 32.429 30.300 -0.447 0.000 1.260 205 R HN 0.069 nan 8.270 nan 0.000 0.466 206 V N 2.845 122.542 119.914 -0.361 0.000 2.709 206 V HA 0.516 4.636 4.120 -0.000 0.000 0.308 206 V C -0.757 175.281 176.094 -0.093 0.000 1.062 206 V CA -0.746 61.371 62.300 -0.305 0.000 0.901 206 V CB 2.031 33.495 31.823 -0.597 0.000 1.003 206 V HN 0.768 nan 8.190 nan 0.000 0.425 207 E N 4.392 124.582 120.200 -0.017 0.000 2.293 207 E HA 0.622 4.972 4.350 -0.000 0.000 0.270 207 E C -1.540 175.063 176.600 0.005 0.000 0.879 207 E CA -0.804 55.602 56.400 0.011 0.000 0.756 207 E CB 2.806 32.545 29.700 0.065 0.000 1.208 207 E HN 0.384 nan 8.360 nan 0.000 0.428 208 I N 2.576 123.153 120.570 0.012 0.000 2.436 208 I HA 0.186 4.356 4.170 -0.000 0.000 0.289 208 I C 0.801 176.945 176.117 0.044 0.000 1.010 208 I CA -0.226 61.091 61.300 0.028 0.000 1.098 208 I CB 0.948 38.955 38.000 0.012 0.000 1.266 208 I HN 0.864 nan 8.210 nan 0.000 0.434 209 N N 4.213 122.956 118.700 0.071 0.000 2.778 209 N HA -0.238 4.502 4.740 -0.000 0.000 0.249 209 N C 1.024 176.564 175.510 0.050 0.000 1.069 209 N CA 0.831 53.924 53.050 0.071 0.000 0.831 209 N CB -0.193 38.333 38.487 0.064 0.000 1.142 209 N HN 1.173 nan 8.380 nan 0.000 0.573 210 G N -0.115 108.711 108.800 0.043 0.000 2.157 210 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.239 210 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.239 210 G C -0.369 174.545 174.900 0.023 0.000 0.982 210 G CA 0.512 45.634 45.100 0.036 0.000 0.650 210 G HN 0.626 nan 8.290 nan 0.000 0.527 211 Q N 0.829 120.640 119.800 0.018 0.000 2.325 211 Q HA 0.451 4.791 4.340 -0.000 0.000 0.262 211 Q C -0.723 175.277 176.000 0.000 0.000 0.968 211 Q CA -0.834 54.973 55.803 0.007 0.000 0.877 211 Q CB 0.918 29.660 28.738 0.007 0.000 1.253 211 Q HN 0.176 nan 8.270 nan 0.000 0.448 212 D N 3.592 123.984 120.400 -0.012 0.000 2.493 212 D HA -0.067 4.573 4.640 -0.000 0.000 0.240 212 D C 0.786 177.093 176.300 0.012 0.000 1.142 212 D CA 0.076 54.067 54.000 -0.015 0.000 0.872 212 D CB 1.057 41.834 40.800 -0.039 0.000 1.173 212 D HN 0.594 nan 8.370 nan 0.000 0.467 213 L N 3.686 124.935 121.223 0.044 0.000 2.353 213 L HA -0.081 4.259 4.340 -0.000 0.000 0.220 213 L C 0.909 177.820 176.870 0.068 0.000 1.133 213 L CA 0.963 55.847 54.840 0.073 0.000 0.798 213 L CB -0.885 41.263 42.059 0.149 0.000 0.922 213 L HN 0.609 nan 8.230 nan 0.000 0.445 214 K N 0.019 120.456 120.400 0.061 0.000 4.405 214 K HA -0.223 4.097 4.320 -0.000 0.000 0.287 214 K C -0.309 176.285 176.600 -0.009 0.000 0.905 214 K CA 0.583 56.881 56.287 0.018 0.000 0.867 214 K CB -1.407 31.091 32.500 -0.004 0.000 1.652 214 K HN 0.303 nan 8.250 nan 0.000 0.435 215 M N 0.134 119.709 119.600 -0.042 0.000 2.631 215 M HA 0.208 4.688 4.480 -0.000 0.000 0.288 215 M C -0.348 175.793 176.300 -0.266 0.000 1.260 215 M CA -1.104 54.098 55.300 -0.163 0.000 0.842 215 M CB 1.598 34.055 32.600 -0.237 0.000 1.743 215 M HN 0.099 nan 8.290 nan 0.000 0.461 216 D N 1.392 121.639 120.400 -0.254 0.000 2.382 216 D HA 0.054 4.694 4.640 -0.000 0.000 0.259 216 D C 1.167 177.228 176.300 -0.399 0.000 1.224 216 D CA -0.204 53.660 54.000 -0.227 0.000 0.894 216 D CB 0.959 41.667 40.800 -0.154 0.000 1.127 216 D HN 0.808 nan 8.370 nan 0.000 0.487 217 C N 3.611 122.705 119.300 -0.343 0.000 2.399 217 C HA -0.078 4.382 4.460 -0.000 0.000 0.296 217 C C 2.143 177.019 174.990 -0.189 0.000 1.415 217 C CA 0.000 58.795 59.018 -0.372 0.000 1.798 217 C CB -0.808 26.956 27.740 0.040 0.000 1.802 217 C HN 0.625 nan 8.230 nan 0.000 0.549 218 K N 0.783 121.114 120.400 -0.114 0.000 2.097 218 K HA -0.109 4.211 4.320 -0.000 0.000 0.206 218 K C 2.272 178.887 176.600 0.024 0.000 1.049 218 K CA 1.531 57.836 56.287 0.029 0.000 0.933 218 K CB -0.121 32.419 32.500 0.068 0.000 0.717 218 K HN 0.577 nan 8.250 nan 0.000 0.442 219 E N -0.047 120.068 120.200 -0.142 0.000 2.160 219 E HA -0.207 4.143 4.350 -0.000 0.000 0.195 219 E C 1.839 178.457 176.600 0.030 0.000 0.991 219 E CA 1.288 57.619 56.400 -0.114 0.000 0.810 219 E CB -0.270 29.287 29.700 -0.238 0.000 0.742 219 E HN 0.550 nan 8.360 nan 0.000 0.466 220 Y N 0.862 121.193 120.300 0.053 0.000 2.333 220 Y HA -0.104 4.446 4.550 0.000 0.000 0.290 220 Y C 1.484 177.415 175.900 0.052 0.000 1.144 220 Y CA 0.448 58.572 58.100 0.041 0.000 1.228 220 Y CB 0.146 38.617 38.460 0.018 0.000 0.985 220 Y HN 0.035 nan 8.280 nan 0.000 0.542 221 N N -1.026 117.804 118.700 0.218 0.000 2.282 221 N HA -0.038 4.702 4.740 -0.000 0.000 0.240 221 N C -0.757 174.833 175.510 0.133 0.000 1.182 221 N CA -0.200 52.949 53.050 0.165 0.000 0.874 221 N CB -0.047 38.551 38.487 0.184 0.000 1.126 221 N HN 0.169 nan 8.380 nan 0.000 0.516 222 Y N 3.442 123.702 120.300 -0.067 0.000 2.834 222 Y HA -0.086 4.464 4.550 0.000 0.000 0.355 222 Y C 1.178 176.872 175.900 -0.342 0.000 1.287 222 Y CA 0.546 58.464 58.100 -0.305 0.000 1.647 222 Y CB -0.332 37.976 38.460 -0.252 0.000 1.221 222 Y HN 0.262 nan 8.280 nan 0.000 0.519 223 D N 2.325 122.251 120.400 -0.790 0.000 3.621 223 D HA -0.208 4.432 4.640 -0.000 0.000 0.218 223 D C -0.791 175.514 176.300 0.010 0.000 0.921 223 D CA 1.765 55.475 54.000 -0.483 0.000 2.207 223 D CB -1.089 39.377 40.800 -0.557 0.000 1.206 223 D HN 0.714 nan 8.370 nan 0.000 0.525 224 K N -0.578 119.796 120.400 -0.043 0.000 2.711 224 K HA 0.648 4.968 4.320 -0.000 0.000 0.294 224 K C -1.713 174.873 176.600 -0.023 0.000 1.037 224 K CA -0.785 55.532 56.287 0.050 0.000 0.858 224 K CB 1.304 33.826 32.500 0.037 0.000 1.521 224 K HN 0.050 nan 8.250 nan 0.000 0.386 225 S N 0.945 116.653 115.700 0.014 0.000 2.647 225 S HA 0.634 5.104 4.470 -0.000 0.000 0.300 225 S C -0.664 173.934 174.600 -0.003 0.000 1.129 225 S CA -0.849 57.351 58.200 0.002 0.000 1.029 225 S CB 0.540 63.770 63.200 0.050 0.000 1.007 225 S HN 0.558 nan 8.310 nan 0.000 0.484 226 I N -0.433 120.113 120.570 -0.039 0.000 2.828 226 I HA 0.767 4.937 4.170 -0.000 0.000 0.302 226 I C -1.183 174.991 176.117 0.095 0.000 1.101 226 I CA -1.276 60.033 61.300 0.014 0.000 1.031 226 I CB 1.893 39.812 38.000 -0.135 0.000 1.231 226 I HN 0.231 nan 8.210 nan 0.000 0.427 227 V N 3.167 123.206 119.914 0.209 0.000 2.348 227 V HA 0.331 4.451 4.120 -0.000 0.000 0.270 227 V C -0.753 175.497 176.094 0.261 0.000 1.037 227 V CA 0.111 62.551 62.300 0.234 0.000 0.872 227 V CB 0.650 32.619 31.823 0.244 0.000 1.002 227 V HN 0.715 nan 8.190 nan 0.000 0.464 228 D N 3.188 123.691 120.400 0.171 0.000 2.440 228 D HA 0.226 4.866 4.640 -0.000 0.000 0.252 228 D C 1.027 177.385 176.300 0.097 0.000 1.180 228 D CA -0.199 53.882 54.000 0.135 0.000 0.894 228 D CB 1.930 42.781 40.800 0.084 0.000 1.111 228 D HN 0.485 nan 8.370 nan 0.000 0.544 229 S N 1.363 117.109 115.700 0.078 0.000 2.607 229 S HA 0.078 4.548 4.470 -0.000 0.000 0.224 229 S C 1.651 176.265 174.600 0.022 0.000 0.969 229 S CA 0.359 58.582 58.200 0.038 0.000 0.927 229 S CB 0.241 63.432 63.200 -0.015 0.000 0.772 229 S HN 0.376 nan 8.310 nan 0.000 0.533 230 G N 0.241 109.044 108.800 0.006 0.000 3.042 230 G HA2 0.313 4.273 3.960 -0.000 0.000 0.212 230 G HA3 0.313 4.273 3.960 -0.000 0.000 0.212 230 G C 0.058 174.948 174.900 -0.017 0.000 1.166 230 G CA -0.087 44.990 45.100 -0.039 0.000 0.767 230 G HN 0.469 nan 8.290 nan 0.000 0.546 231 T N -0.232 114.336 114.554 0.023 0.000 2.841 231 T HA 0.395 4.745 4.350 -0.000 0.000 0.283 231 T C 1.101 175.832 174.700 0.052 0.000 1.000 231 T CA -0.367 61.751 62.100 0.029 0.000 0.977 231 T CB 2.131 71.013 68.868 0.025 0.000 0.979 231 T HN -0.061 nan 8.240 nan 0.000 0.446 232 T N 2.995 117.580 114.554 0.052 0.000 2.735 232 T HA 0.014 4.364 4.350 -0.000 0.000 0.256 232 T C 1.074 175.804 174.700 0.051 0.000 1.042 232 T CA 0.847 62.986 62.100 0.066 0.000 1.147 232 T CB -0.146 68.758 68.868 0.060 0.000 0.865 232 T HN 0.416 nan 8.240 nan 0.000 0.421 233 N N 1.252 119.967 118.700 0.025 0.000 2.399 233 N HA 0.224 4.964 4.740 -0.000 0.000 0.250 233 N C -0.644 174.868 175.510 0.003 0.000 1.272 233 N CA -0.278 52.772 53.050 -0.001 0.000 0.928 233 N CB 0.233 38.703 38.487 -0.027 0.000 1.158 233 N HN 0.178 nan 8.380 nan 0.000 0.463 234 L N 1.748 122.962 121.223 -0.015 0.000 2.261 234 L HA 0.328 4.668 4.340 -0.000 0.000 0.289 234 L C -0.472 176.391 176.870 -0.011 0.000 1.059 234 L CA -0.502 54.336 54.840 -0.004 0.000 0.816 234 L CB 0.007 42.060 42.059 -0.010 0.000 1.191 234 L HN 0.390 nan 8.230 nan 0.000 0.431 235 R N 6.215 126.712 120.500 -0.005 0.000 2.407 235 R HA 0.651 4.991 4.340 -0.000 0.000 0.303 235 R C -1.121 175.190 176.300 0.018 0.000 0.981 235 R CA -0.793 55.302 56.100 -0.009 0.000 0.905 235 R CB 1.822 32.099 30.300 -0.038 0.000 1.099 235 R HN 0.596 nan 8.270 nan 0.000 0.459 236 L N 2.729 123.989 121.223 0.063 0.000 2.323 236 L HA 0.540 4.880 4.340 -0.000 0.000 0.265 236 L C -2.359 174.569 176.870 0.097 0.000 1.012 236 L CA -2.743 52.160 54.840 0.104 0.000 0.820 236 L CB 2.181 44.351 42.059 0.184 0.000 1.334 236 L HN 0.249 nan 8.230 nan 0.000 0.427 237 P HA 0.038 nan 4.420 nan 0.000 0.270 237 P C -0.028 177.362 177.300 0.150 0.000 1.223 237 P CA -0.374 62.795 63.100 0.116 0.000 0.785 237 P CB 0.717 32.520 31.700 0.173 0.000 0.923 238 K N 3.494 123.967 120.400 0.122 0.000 2.013 238 K HA -0.273 4.047 4.320 -0.000 0.000 0.225 238 K C 1.493 178.202 176.600 0.181 0.000 1.056 238 K CA 2.296 58.661 56.287 0.131 0.000 0.971 238 K CB -0.849 31.706 32.500 0.092 0.000 0.731 238 K HN 0.254 nan 8.250 nan 0.000 0.450 239 K N -0.276 120.193 120.400 0.116 0.000 2.020 239 K HA -0.147 4.173 4.320 -0.000 0.000 0.212 239 K C 2.091 178.757 176.600 0.110 0.000 1.050 239 K CA 1.959 58.295 56.287 0.082 0.000 0.929 239 K CB -0.514 31.994 32.500 0.013 0.000 0.714 239 K HN 0.059 nan 8.250 nan 0.000 0.443 240 V N 1.354 121.352 119.914 0.140 0.000 2.332 240 V HA -0.266 3.854 4.120 -0.000 0.000 0.248 240 V C 2.048 178.237 176.094 0.157 0.000 1.055 240 V CA 1.871 64.272 62.300 0.168 0.000 1.038 240 V CB -0.635 31.328 31.823 0.234 0.000 0.651 240 V HN 0.236 nan 8.190 nan 0.000 0.450 241 F N 1.518 121.502 119.950 0.057 0.000 2.069 241 F HA -0.212 4.315 4.527 -0.000 0.000 0.298 241 F C 2.406 178.235 175.800 0.048 0.000 1.113 241 F CA 2.248 60.281 58.000 0.056 0.000 1.214 241 F CB -0.375 38.661 39.000 0.059 0.000 0.978 241 F HN 0.255 nan 8.300 nan 0.000 0.474 242 E N 0.647 120.879 120.200 0.053 0.000 2.033 242 E HA -0.269 4.081 4.350 -0.000 0.000 0.199 242 E C 2.422 178.925 176.600 -0.161 0.000 1.011 242 E CA 1.301 57.652 56.400 -0.083 0.000 0.815 242 E CB -0.799 28.927 29.700 0.043 0.000 0.755 242 E HN 0.496 nan 8.360 nan 0.000 0.451 243 A N 1.713 124.493 122.820 -0.068 0.000 1.927 243 A HA -0.244 4.076 4.320 -0.000 0.000 0.220 243 A C 2.462 179.984 177.584 -0.104 0.000 1.185 243 A CA 2.263 54.262 52.037 -0.062 0.000 0.639 243 A CB -0.912 18.089 19.000 0.000 0.000 0.820 243 A HN 0.330 nan 8.150 nan 0.000 0.451 244 A N -0.868 121.880 122.820 -0.120 0.000 1.902 244 A HA 0.032 4.352 4.320 -0.000 0.000 0.217 244 A C 2.246 179.705 177.584 -0.208 0.000 1.181 244 A CA 1.782 53.739 52.037 -0.133 0.000 0.623 244 A CB -0.886 18.051 19.000 -0.105 0.000 0.818 244 A HN 0.430 nan 8.150 nan 0.000 0.443 245 V N 0.273 119.967 119.914 -0.367 0.000 2.307 245 V HA -0.262 3.858 4.120 -0.000 0.000 0.245 245 V C 2.522 178.332 176.094 -0.473 0.000 1.045 245 V CA 2.367 64.380 62.300 -0.478 0.000 1.024 245 V CB -0.686 30.744 31.823 -0.654 0.000 0.651 245 V HN 0.706 nan 8.190 nan 0.000 0.449 246 K N 0.105 120.301 120.400 -0.340 0.000 2.009 246 K HA -0.232 4.088 4.320 -0.000 0.000 0.210 246 K C 2.503 178.980 176.600 -0.207 0.000 1.049 246 K CA 1.987 58.114 56.287 -0.266 0.000 0.929 246 K CB -0.442 31.956 32.500 -0.169 0.000 0.714 246 K HN 0.362 nan 8.250 nan 0.000 0.440 247 S N 0.370 115.981 115.700 -0.147 0.000 2.383 247 S HA -0.093 4.377 4.470 -0.000 0.000 0.229 247 S C 1.854 176.415 174.600 -0.067 0.000 1.030 247 S CA 1.272 59.421 58.200 -0.085 0.000 1.002 247 S CB -0.267 62.901 63.200 -0.053 0.000 0.829 247 S HN 0.370 nan 8.310 nan 0.000 0.467 248 I N 0.576 121.086 120.570 -0.100 0.000 2.546 248 I HA -0.105 4.065 4.170 -0.000 0.000 0.255 248 I C 2.415 178.519 176.117 -0.021 0.000 1.163 248 I CA 0.878 62.180 61.300 0.003 0.000 1.457 248 I CB -0.181 37.850 38.000 0.051 0.000 1.092 248 I HN 0.257 nan 8.210 nan 0.000 0.434 249 K N 1.086 121.324 120.400 -0.269 0.000 2.007 249 K HA -0.052 4.268 4.320 -0.000 0.000 0.206 249 K C 2.362 178.935 176.600 -0.044 0.000 1.047 249 K CA 1.308 57.440 56.287 -0.258 0.000 0.937 249 K CB -0.253 31.959 32.500 -0.479 0.000 0.718 249 K HN 0.223 nan 8.250 nan 0.000 0.438 250 A N 1.874 124.653 122.820 -0.067 0.000 1.884 250 A HA -0.254 4.066 4.320 -0.000 0.000 0.219 250 A C 2.428 180.018 177.584 0.010 0.000 1.197 250 A CA 2.353 54.375 52.037 -0.025 0.000 0.637 250 A CB -1.069 17.910 19.000 -0.034 0.000 0.827 250 A HN 0.370 nan 8.150 nan 0.000 0.450 251 A N -0.110 122.727 122.820 0.027 0.000 1.917 251 A HA -0.105 4.215 4.320 -0.000 0.000 0.219 251 A C 2.277 179.881 177.584 0.034 0.000 1.182 251 A CA 2.437 54.501 52.037 0.045 0.000 0.633 251 A CB -0.885 18.168 19.000 0.088 0.000 0.819 251 A HN 1.221 nan 8.150 nan 0.000 0.448 252 S N -0.054 115.685 115.700 0.066 0.000 2.660 252 S HA 0.094 4.564 4.470 -0.000 0.000 0.227 252 S C 1.501 176.170 174.600 0.115 0.000 0.948 252 S CA 0.723 58.935 58.200 0.020 0.000 0.948 252 S CB -0.511 62.696 63.200 0.013 0.000 0.779 252 S HN 0.811 nan 8.310 nan 0.000 0.487 253 S N 2.807 118.552 115.700 0.075 0.000 2.389 253 S HA -0.290 4.180 4.470 -0.000 0.000 0.231 253 S C 2.156 176.775 174.600 0.032 0.000 1.052 253 S CA 2.040 60.277 58.200 0.062 0.000 1.053 253 S CB -2.189 61.023 63.200 0.020 0.000 0.886 253 S HN 0.867 nan 8.310 nan 0.000 0.456 254 T N -0.371 114.184 114.554 0.001 0.000 2.795 254 T HA -0.160 4.190 4.350 -0.000 0.000 0.266 254 T C 0.494 175.167 174.700 -0.045 0.000 1.056 254 T CA 1.558 63.642 62.100 -0.027 0.000 1.141 254 T CB -0.635 68.205 68.868 -0.046 0.000 0.840 254 T HN 0.727 nan 8.240 nan 0.000 0.493 255 E N -0.158 120.015 120.200 -0.045 0.000 2.317 255 E HA 0.531 4.881 4.350 -0.000 0.000 0.270 255 E C -0.969 175.413 176.600 -0.364 0.000 0.885 255 E CA -1.154 55.122 56.400 -0.206 0.000 0.760 255 E CB 1.498 31.074 29.700 -0.207 0.000 1.227 255 E HN -0.054 nan 8.360 nan 0.000 0.434 256 K N 1.738 121.830 120.400 -0.514 0.000 2.164 256 K HA 0.540 4.860 4.320 -0.000 0.000 0.258 256 K C -1.088 175.099 176.600 -0.688 0.000 0.951 256 K CA -0.426 55.636 56.287 -0.376 0.000 0.844 256 K CB 0.747 33.159 32.500 -0.146 0.000 1.099 256 K HN 0.349 nan 8.250 nan 0.000 0.435 257 F N 2.368 122.406 119.950 0.148 0.000 2.576 257 F HA 0.374 4.901 4.527 -0.000 0.000 0.313 257 F C -1.761 174.127 175.800 0.147 0.000 1.078 257 F CA -2.228 55.779 58.000 0.012 0.000 0.921 257 F CB 1.256 40.110 39.000 -0.244 0.000 1.232 257 F HN 0.336 nan 8.300 nan 0.000 0.459 258 P HA 0.034 nan 4.420 nan 0.000 0.268 258 P C 0.057 177.544 177.300 0.311 0.000 1.205 258 P CA 0.023 63.247 63.100 0.206 0.000 0.771 258 P CB 1.154 32.926 31.700 0.121 0.000 0.858 259 D N 2.677 123.259 120.400 0.302 0.000 2.158 259 D HA -0.149 4.491 4.640 -0.000 0.000 0.197 259 D C 2.108 178.582 176.300 0.290 0.000 0.995 259 D CA 1.981 56.192 54.000 0.352 0.000 0.846 259 D CB -0.629 40.305 40.800 0.224 0.000 0.941 259 D HN 0.648 nan 8.370 nan 0.000 0.456 260 G N 0.189 109.109 108.800 0.201 0.000 2.462 260 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.220 260 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.220 260 G C 1.387 176.372 174.900 0.141 0.000 1.121 260 G CA 0.331 45.523 45.100 0.154 0.000 0.758 260 G HN 0.248 nan 8.290 nan 0.000 0.559 261 F N 0.401 120.319 119.950 -0.053 0.000 2.098 261 F HA 0.058 4.585 4.527 -0.000 0.000 0.294 261 F C 2.215 177.868 175.800 -0.246 0.000 1.107 261 F CA 0.873 58.736 58.000 -0.229 0.000 1.234 261 F CB -0.467 38.240 39.000 -0.488 0.000 1.002 261 F HN 0.215 nan 8.300 nan 0.000 0.472 262 W N 0.690 121.879 121.300 -0.186 0.000 2.538 262 W HA -0.043 4.617 4.660 0.000 0.000 0.254 262 W C 1.494 178.022 176.519 0.015 0.000 1.249 262 W CA 0.370 57.473 57.345 -0.404 0.000 1.253 262 W CB -0.553 28.760 29.460 -0.245 0.000 1.130 262 W HN 0.018 nan 8.180 nan 0.000 0.618 263 L N 0.466 121.821 121.223 0.221 0.000 2.653 263 L HA 0.327 4.667 4.340 -0.000 0.000 0.231 263 L C 1.854 178.815 176.870 0.152 0.000 1.153 263 L CA 0.364 55.346 54.840 0.237 0.000 0.933 263 L CB -0.793 41.375 42.059 0.182 0.000 1.175 263 L HN 0.178 nan 8.230 nan 0.000 0.473 264 G N 0.598 109.454 108.800 0.094 0.000 2.233 264 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.270 264 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.270 264 G C 0.730 175.659 174.900 0.048 0.000 1.011 264 G CA 1.036 46.164 45.100 0.048 0.000 0.762 264 G HN 0.538 nan 8.290 nan 0.000 0.511 265 E N -0.343 119.893 120.200 0.060 0.000 2.057 265 E HA 0.058 4.408 4.350 -0.000 0.000 0.191 265 E C 1.544 178.188 176.600 0.073 0.000 0.959 265 E CA 0.780 57.219 56.400 0.065 0.000 0.828 265 E CB -0.076 29.666 29.700 0.071 0.000 0.800 265 E HN 0.819 nan 8.360 nan 0.000 0.460 266 Q N 1.692 121.549 119.800 0.094 0.000 2.230 266 Q HA 0.395 4.735 4.340 -0.000 0.000 0.248 266 Q C -0.689 175.419 176.000 0.180 0.000 0.915 266 Q CA -0.911 54.955 55.803 0.106 0.000 0.900 266 Q CB 1.064 29.857 28.738 0.092 0.000 1.229 266 Q HN 0.014 nan 8.270 nan 0.000 0.439 267 L N 0.235 121.545 121.223 0.145 0.000 2.344 267 L HA 0.700 5.040 4.340 -0.000 0.000 0.272 267 L C -0.362 176.543 176.870 0.057 0.000 1.035 267 L CA -1.111 53.849 54.840 0.199 0.000 0.807 267 L CB 0.784 42.918 42.059 0.126 0.000 1.237 267 L HN 0.489 nan 8.230 nan 0.000 0.442 268 V N -0.313 119.580 119.914 -0.035 0.000 2.837 268 V HA 0.707 4.827 4.120 -0.000 0.000 0.310 268 V C -0.107 175.787 176.094 -0.333 0.000 1.059 268 V CA -0.205 61.871 62.300 -0.373 0.000 1.004 268 V CB 1.704 33.043 31.823 -0.807 0.000 1.045 268 V HN 1.061 nan 8.190 nan 0.000 0.465 269 C N 1.373 120.347 119.300 -0.543 0.000 3.090 269 C HA 0.717 5.177 4.460 -0.000 0.000 0.305 269 C C -1.188 173.496 174.990 -0.510 0.000 1.292 269 C CA -1.083 57.724 59.018 -0.352 0.000 1.482 269 C CB 1.838 29.456 27.740 -0.203 0.000 1.897 269 C HN 0.879 nan 8.230 nan 0.000 0.469 270 W N 0.162 121.460 121.300 -0.003 0.000 3.107 270 W HA 0.369 5.029 4.660 -0.000 0.000 0.331 270 W C -1.026 175.480 176.519 -0.022 0.000 1.204 270 W CA -0.486 56.852 57.345 -0.012 0.000 1.184 270 W CB 1.328 30.783 29.460 -0.009 0.000 1.421 270 W HN 0.624 nan 8.180 nan 0.000 0.544 271 Q N 1.303 121.237 119.800 0.223 0.000 2.269 271 Q HA 0.258 4.598 4.340 -0.000 0.000 0.300 271 Q C 0.510 176.577 176.000 0.111 0.000 1.070 271 Q CA 0.372 56.244 55.803 0.116 0.000 0.957 271 Q CB 0.035 28.826 28.738 0.088 0.000 1.131 271 Q HN 0.344 nan 8.270 nan 0.000 0.377 272 A N 2.835 125.700 122.820 0.074 0.000 2.608 272 A HA 0.278 4.598 4.320 -0.000 0.000 0.246 272 A C 1.481 179.106 177.584 0.067 0.000 0.998 272 A CA 0.855 52.931 52.037 0.066 0.000 0.796 272 A CB -0.756 18.268 19.000 0.041 0.000 0.895 272 A HN 1.380 nan 8.150 nan 0.000 0.508 273 G N 1.664 110.511 108.800 0.079 0.000 2.168 273 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.263 273 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.263 273 G C 0.858 175.776 174.900 0.030 0.000 0.977 273 G CA 1.465 46.606 45.100 0.068 0.000 0.659 273 G HN 2.302 nan 8.290 nan 0.000 0.533 274 T N -2.404 112.156 114.554 0.009 0.000 3.054 274 T HA 0.363 4.713 4.350 -0.000 0.000 0.255 274 T C 1.003 175.545 174.700 -0.264 0.000 1.035 274 T CA 0.935 63.000 62.100 -0.058 0.000 0.941 274 T CB 0.226 69.102 68.868 0.013 0.000 1.026 274 T HN 0.427 nan 8.240 nan 0.000 0.533 275 T N 5.839 120.167 114.554 -0.377 0.000 2.819 275 T HA 0.096 4.446 4.350 -0.000 0.000 0.282 275 T C -1.856 172.227 174.700 -1.028 0.000 1.013 275 T CA -0.366 61.164 62.100 -0.950 0.000 1.159 275 T CB 0.577 68.718 68.868 -1.211 0.000 1.007 275 T HN 0.289 nan 8.240 nan 0.000 0.514 276 P HA 0.080 nan 4.420 nan 0.000 0.226 276 P C 0.551 177.652 177.300 -0.330 0.000 1.758 276 P CA -0.298 62.424 63.100 -0.631 0.000 0.896 276 P CB -0.303 31.026 31.700 -0.618 0.000 1.784 277 W N 2.413 123.622 121.300 -0.153 0.000 2.278 277 W HA -0.363 4.297 4.660 -0.000 0.000 0.339 277 W C 2.059 178.602 176.519 0.040 0.000 1.348 277 W CA 1.710 59.048 57.345 -0.012 0.000 1.289 277 W CB -1.820 27.609 29.460 -0.052 0.000 1.124 277 W HN 0.234 nan 8.180 nan 0.000 0.469 278 N N 1.348 120.182 118.700 0.223 0.000 2.405 278 N HA -0.232 4.508 4.740 -0.000 0.000 0.189 278 N C 1.151 176.676 175.510 0.025 0.000 1.021 278 N CA 2.173 55.273 53.050 0.082 0.000 0.891 278 N CB -1.509 36.938 38.487 -0.067 0.000 0.955 278 N HN 0.534 nan 8.380 nan 0.000 0.443 279 I N -5.263 115.278 120.570 -0.048 0.000 3.578 279 I HA 0.266 4.436 4.170 -0.000 0.000 0.295 279 I C -0.442 175.584 176.117 -0.152 0.000 1.280 279 I CA -0.160 61.051 61.300 -0.149 0.000 1.347 279 I CB -0.185 37.653 38.000 -0.271 0.000 1.051 279 I HN -0.218 nan 8.210 nan 0.000 0.460 280 F N 4.262 124.308 119.950 0.160 0.000 2.408 280 F HA 0.559 5.086 4.527 -0.000 0.000 0.344 280 F C -2.057 173.888 175.800 0.241 0.000 1.112 280 F CA -2.948 55.206 58.000 0.257 0.000 1.096 280 F CB 0.740 39.926 39.000 0.309 0.000 1.129 280 F HN -0.128 nan 8.300 nan 0.000 0.486 281 P HA 0.224 nan 4.420 nan 0.000 0.276 281 P C -0.787 176.729 177.300 0.361 0.000 1.244 281 P CA -0.276 63.012 63.100 0.314 0.000 0.801 281 P CB 1.656 33.492 31.700 0.227 0.000 1.006 282 V N -0.064 119.988 119.914 0.230 0.000 2.785 282 V HA 0.513 4.633 4.120 -0.000 0.000 0.300 282 V C 0.089 176.287 176.094 0.174 0.000 1.062 282 V CA -0.639 61.783 62.300 0.203 0.000 1.029 282 V CB 0.515 32.406 31.823 0.114 0.000 1.024 282 V HN 0.305 nan 8.190 nan 0.000 0.477 283 I N 2.805 123.476 120.570 0.168 0.000 2.433 283 I HA 0.472 4.642 4.170 -0.000 0.000 0.292 283 I C 0.024 176.145 176.117 0.006 0.000 1.001 283 I CA -0.196 61.150 61.300 0.077 0.000 1.119 283 I CB 2.068 40.109 38.000 0.069 0.000 1.289 283 I HN 0.687 nan 8.210 nan 0.000 0.438 284 S N 6.823 122.488 115.700 -0.059 0.000 2.456 284 S HA 0.583 5.053 4.470 -0.000 0.000 0.316 284 S C -0.433 174.024 174.600 -0.238 0.000 1.089 284 S CA -0.585 57.503 58.200 -0.186 0.000 1.101 284 S CB 0.992 64.046 63.200 -0.243 0.000 0.995 284 S HN 0.343 nan 8.310 nan 0.000 0.468 285 L N 4.050 125.072 121.223 -0.335 0.000 2.280 285 L HA 0.458 4.798 4.340 -0.000 0.000 0.287 285 L C -1.237 175.335 176.870 -0.497 0.000 1.023 285 L CA -0.703 53.934 54.840 -0.338 0.000 0.819 285 L CB 0.584 42.455 42.059 -0.314 0.000 1.212 285 L HN 0.628 nan 8.230 nan 0.000 0.420 286 Y N 4.194 124.243 120.300 -0.418 0.000 2.350 286 Y HA 0.439 4.989 4.550 0.000 0.000 0.340 286 Y C 0.163 175.779 175.900 -0.474 0.000 1.006 286 Y CA -0.250 57.575 58.100 -0.458 0.000 1.166 286 Y CB 0.997 39.237 38.460 -0.367 0.000 1.168 286 Y HN 0.383 nan 8.280 nan 0.000 0.502 287 L N 4.146 125.003 121.223 -0.610 0.000 2.334 287 L HA 0.474 4.814 4.340 -0.000 0.000 0.272 287 L C 0.181 176.822 176.870 -0.382 0.000 1.020 287 L CA -1.093 53.411 54.840 -0.560 0.000 0.812 287 L CB 1.519 43.074 42.059 -0.840 0.000 1.264 287 L HN 0.622 nan 8.230 nan 0.000 0.439 288 M N 1.324 120.844 119.600 -0.134 0.000 2.251 288 M HA 0.157 4.637 4.480 -0.000 0.000 0.343 288 M C 0.572 176.936 176.300 0.106 0.000 1.245 288 M CA 0.424 55.729 55.300 0.009 0.000 1.061 288 M CB 0.661 33.295 32.600 0.057 0.000 1.723 288 M HN 0.728 nan 8.290 nan 0.000 0.449 289 G N 3.288 112.206 108.800 0.197 0.000 2.509 289 G HA2 0.220 4.180 3.960 -0.000 0.000 0.269 289 G HA3 0.220 4.180 3.960 -0.000 0.000 0.269 289 G C -0.029 175.039 174.900 0.279 0.000 1.416 289 G CA -0.319 45.001 45.100 0.366 0.000 1.052 289 G HN 0.890 nan 8.290 nan 0.000 0.542 290 E N -2.006 118.354 120.200 0.266 0.000 2.460 290 E HA 0.224 4.574 4.350 -0.000 0.000 0.200 290 E C 0.037 176.706 176.600 0.115 0.000 1.011 290 E CA -0.106 56.392 56.400 0.164 0.000 0.912 290 E CB 1.077 30.850 29.700 0.122 0.000 0.953 290 E HN 0.049 nan 8.360 nan 0.000 0.494 291 V N 0.969 120.964 119.914 0.135 0.000 2.919 291 V HA 0.142 4.262 4.120 -0.000 0.000 0.316 291 V C 0.087 176.241 176.094 0.100 0.000 1.077 291 V CA -0.768 61.592 62.300 0.099 0.000 0.977 291 V CB 2.122 34.001 31.823 0.094 0.000 1.039 291 V HN 0.017 nan 8.190 nan 0.000 0.441 292 T N 4.575 119.174 114.554 0.074 0.000 2.750 292 T HA -0.005 4.345 4.350 -0.000 0.000 0.277 292 T C 0.763 175.508 174.700 0.074 0.000 0.996 292 T CA 0.837 62.977 62.100 0.066 0.000 1.195 292 T CB -0.558 68.339 68.868 0.048 0.000 0.963 292 T HN 0.804 nan 8.240 nan 0.000 0.516 293 N N 0.570 119.315 118.700 0.074 0.000 2.800 293 N HA -0.166 4.574 4.740 -0.000 0.000 0.250 293 N C -0.139 175.433 175.510 0.103 0.000 1.078 293 N CA 1.375 54.470 53.050 0.075 0.000 0.804 293 N CB -1.074 37.449 38.487 0.060 0.000 1.135 293 N HN 0.890 nan 8.380 nan 0.000 0.565 294 Q N -0.541 119.339 119.800 0.133 0.000 2.309 294 Q HA 0.805 5.145 4.340 -0.000 0.000 0.264 294 Q C -0.063 176.070 176.000 0.222 0.000 1.008 294 Q CA -0.609 55.304 55.803 0.184 0.000 0.853 294 Q CB 2.121 30.986 28.738 0.211 0.000 1.314 294 Q HN 0.184 nan 8.270 nan 0.000 0.448 295 S N 1.106 116.960 115.700 0.256 0.000 2.811 295 S HA 0.934 5.404 4.470 -0.000 0.000 0.311 295 S C -0.935 173.870 174.600 0.341 0.000 1.152 295 S CA -0.730 57.605 58.200 0.225 0.000 0.864 295 S CB 0.813 64.089 63.200 0.127 0.000 1.226 295 S HN 1.010 nan 8.310 nan 0.000 0.541 296 F N -1.479 118.526 119.950 0.091 0.000 2.686 296 F HA 0.847 5.374 4.527 0.000 0.000 0.311 296 F C -0.959 174.675 175.800 -0.276 0.000 1.128 296 F CA -1.192 56.734 58.000 -0.123 0.000 0.946 296 F CB 1.249 39.989 39.000 -0.433 0.000 1.336 296 F HN 0.971 nan 8.300 nan 0.000 0.457 297 R N 2.333 122.644 120.500 -0.314 0.000 2.854 297 R HA 0.892 5.232 4.340 -0.000 0.000 0.271 297 R C -1.482 174.562 176.300 -0.427 0.000 0.994 297 R CA -1.000 54.663 56.100 -0.728 0.000 0.945 297 R CB 2.647 32.072 30.300 -1.457 0.000 1.194 297 R HN 0.998 nan 8.270 nan 0.000 0.476 298 I N -0.905 119.363 120.570 -0.503 0.000 2.433 298 I HA 0.496 4.666 4.170 -0.000 0.000 0.292 298 I C -1.032 174.983 176.117 -0.170 0.000 1.001 298 I CA -0.754 60.317 61.300 -0.381 0.000 1.119 298 I CB 2.510 40.028 38.000 -0.803 0.000 1.289 298 I HN 0.501 nan 8.210 nan 0.000 0.438 299 T N 7.368 121.961 114.554 0.064 0.000 2.824 299 T HA 0.638 4.988 4.350 -0.000 0.000 0.280 299 T C -0.117 174.703 174.700 0.200 0.000 0.995 299 T CA -0.441 61.703 62.100 0.074 0.000 1.009 299 T CB 1.558 70.448 68.868 0.036 0.000 0.955 299 T HN 0.658 nan 8.240 nan 0.000 0.452 300 I N 1.045 121.698 120.570 0.140 0.000 2.433 300 I HA 0.634 4.804 4.170 -0.000 0.000 0.292 300 I C -0.762 175.388 176.117 0.055 0.000 1.001 300 I CA -1.186 60.180 61.300 0.109 0.000 1.119 300 I CB 1.062 39.157 38.000 0.159 0.000 1.289 300 I HN 0.425 nan 8.210 nan 0.000 0.438 301 L N 6.372 127.548 121.223 -0.078 0.000 2.439 301 L HA 0.458 4.798 4.340 -0.000 0.000 0.259 301 L C -1.214 175.384 176.870 -0.454 0.000 1.129 301 L CA -1.687 53.044 54.840 -0.182 0.000 0.803 301 L CB 0.753 42.672 42.059 -0.234 0.000 1.161 301 L HN 0.479 nan 8.230 nan 0.000 0.462 302 P HA -0.174 nan 4.420 nan 0.000 0.220 302 P C 0.853 177.701 177.300 -0.754 0.000 1.148 302 P CA 1.163 63.603 63.100 -1.099 0.000 0.803 302 P CB 0.252 31.730 31.700 -0.371 0.000 0.782 303 Q N -0.259 119.045 119.800 -0.827 0.000 2.368 303 Q HA -0.144 4.196 4.340 -0.000 0.000 0.210 303 Q C 2.296 178.038 176.000 -0.431 0.000 0.982 303 Q CA 1.461 56.715 55.803 -0.915 0.000 0.884 303 Q CB -0.620 27.514 28.738 -1.006 0.000 0.933 303 Q HN 0.501 nan 8.270 nan 0.000 0.460 304 Q N -1.425 118.144 119.800 -0.386 0.000 2.263 304 Q HA -0.022 4.318 4.340 -0.000 0.000 0.196 304 Q C 1.162 177.104 176.000 -0.097 0.000 0.965 304 Q CA 0.737 56.424 55.803 -0.195 0.000 0.851 304 Q CB 0.034 28.685 28.738 -0.144 0.000 0.948 304 Q HN 0.658 nan 8.270 nan 0.000 0.516 305 Y N -0.532 119.728 120.300 -0.066 0.000 2.553 305 Y HA 0.314 4.864 4.550 0.000 0.000 0.303 305 Y C 0.039 175.885 175.900 -0.091 0.000 1.194 305 Y CA 0.091 58.132 58.100 -0.098 0.000 1.305 305 Y CB -0.298 38.092 38.460 -0.117 0.000 1.045 305 Y HN -0.105 nan 8.280 nan 0.000 0.514 306 L N 2.649 123.865 121.223 -0.011 0.000 2.384 306 L HA 0.404 4.744 4.340 -0.000 0.000 0.261 306 L C -0.023 176.950 176.870 0.172 0.000 1.024 306 L CA -0.636 54.255 54.840 0.085 0.000 0.899 306 L CB 0.958 42.979 42.059 -0.062 0.000 1.243 306 L HN 0.074 nan 8.230 nan 0.000 0.449 307 R N 3.806 124.432 120.500 0.209 0.000 2.442 307 R HA 0.294 4.634 4.340 -0.000 0.000 0.291 307 R C -2.403 174.114 176.300 0.361 0.000 1.069 307 R CA -1.233 55.004 56.100 0.228 0.000 1.022 307 R CB 0.849 31.231 30.300 0.137 0.000 0.976 307 R HN 0.146 nan 8.270 nan 0.000 0.443 308 P HA 0.027 nan 4.420 nan 0.000 0.276 308 P C -1.382 175.957 177.300 0.066 0.000 1.235 308 P CA -0.183 63.045 63.100 0.213 0.000 0.772 308 P CB 1.052 32.865 31.700 0.189 0.000 0.871 309 V N 0.107 120.003 119.914 -0.030 0.000 2.808 309 V HA 0.423 4.543 4.120 -0.000 0.000 0.308 309 V C 0.135 176.187 176.094 -0.070 0.000 1.099 309 V CA -1.234 61.053 62.300 -0.021 0.000 0.920 309 V CB 1.435 33.270 31.823 0.020 0.000 1.014 309 V HN 0.424 nan 8.190 nan 0.000 0.425 319 C N 2.072 121.064 119.300 -0.514 0.000 2.561 319 C HA 0.863 5.323 4.460 -0.000 0.000 0.319 319 C C -0.857 173.746 174.990 -0.645 0.000 1.198 319 C CA -0.726 58.046 59.018 -0.410 0.000 1.665 319 C CB 0.491 28.118 27.740 -0.188 0.000 2.258 319 C HN 0.543 nan 8.230 nan 0.000 0.493 320 Y N -0.316 120.056 120.300 0.120 0.000 2.597 320 Y HA 0.567 5.117 4.550 -0.000 0.000 0.340 320 Y C -0.142 175.896 175.900 0.231 0.000 1.097 320 Y CA -1.011 57.194 58.100 0.176 0.000 1.037 320 Y CB 1.261 39.860 38.460 0.233 0.000 1.305 320 Y HN 0.441 nan 8.280 nan 0.000 0.463 321 K N 1.173 121.791 120.400 0.363 0.000 2.207 321 K HA 0.389 4.709 4.320 -0.000 0.000 0.255 321 K C -1.418 175.288 176.600 0.176 0.000 0.941 321 K CA -0.945 55.492 56.287 0.250 0.000 0.825 321 K CB 1.862 34.442 32.500 0.133 0.000 1.119 321 K HN 0.530 nan 8.250 nan 0.000 0.430 322 F N 2.171 121.921 119.950 -0.334 0.000 2.533 322 F HA 0.095 4.622 4.527 -0.000 0.000 0.378 322 F C 0.468 176.196 175.800 -0.119 0.000 1.070 322 F CA -0.499 57.249 58.000 -0.421 0.000 1.172 322 F CB 0.377 38.816 39.000 -0.936 0.000 1.085 322 F HN 0.617 nan 8.300 nan 0.000 0.552 323 A N 8.163 130.794 122.820 -0.315 0.000 2.797 323 A HA 0.423 4.743 4.320 -0.000 0.000 0.287 323 A C -0.048 177.321 177.584 -0.359 0.000 1.369 323 A CA -0.234 51.668 52.037 -0.226 0.000 0.968 323 A CB -1.113 17.853 19.000 -0.057 0.000 1.069 323 A HN 0.616 nan 8.150 nan 0.000 0.571 324 I N 1.542 121.697 120.570 -0.690 0.000 2.476 324 I HA 0.238 4.408 4.170 -0.000 0.000 0.281 324 I C -0.209 175.919 176.117 0.018 0.000 1.040 324 I CA -0.285 60.754 61.300 -0.435 0.000 1.094 324 I CB 1.976 39.553 38.000 -0.705 0.000 1.219 324 I HN 0.310 nan 8.210 nan 0.000 0.450 325 S N 4.537 120.256 115.700 0.031 0.000 2.648 325 S HA 0.614 5.084 4.470 -0.000 0.000 0.305 325 S C -0.597 173.796 174.600 -0.345 0.000 1.094 325 S CA -0.932 57.214 58.200 -0.091 0.000 0.983 325 S CB 1.872 65.012 63.200 -0.100 0.000 1.101 325 S HN 0.623 nan 8.310 nan 0.000 0.514 326 Q N 0.452 119.723 119.800 -0.881 0.000 2.306 326 Q HA 0.658 4.998 4.340 -0.000 0.000 0.241 326 Q C -0.404 175.427 176.000 -0.283 0.000 0.948 326 Q CA -0.607 54.792 55.803 -0.673 0.000 0.886 326 Q CB 1.061 29.269 28.738 -0.884 0.000 1.227 326 Q HN 0.574 nan 8.270 nan 0.000 0.457 327 S N 0.355 115.965 115.700 -0.151 0.000 2.566 327 S HA 0.430 4.900 4.470 -0.000 0.000 0.298 327 S C -0.115 174.441 174.600 -0.073 0.000 1.083 327 S CA -0.237 57.905 58.200 -0.098 0.000 0.978 327 S CB 1.621 64.775 63.200 -0.077 0.000 1.073 327 S HN 0.755 nan 8.310 nan 0.000 0.491 328 S N 0.658 116.312 115.700 -0.076 0.000 2.629 328 S HA 0.152 4.622 4.470 -0.000 0.000 0.236 328 S C 0.604 175.127 174.600 -0.128 0.000 1.010 328 S CA 0.308 58.467 58.200 -0.069 0.000 0.981 328 S CB -0.080 63.095 63.200 -0.042 0.000 0.919 328 S HN 0.868 nan 8.310 nan 0.000 0.514 329 T N -1.602 112.867 114.554 -0.142 0.000 3.380 329 T HA 0.629 4.979 4.350 -0.000 0.000 0.289 329 T C 0.789 175.358 174.700 -0.219 0.000 1.012 329 T CA 0.021 62.012 62.100 -0.182 0.000 0.944 329 T CB 0.028 68.813 68.868 -0.138 0.000 1.172 329 T HN 1.268 nan 8.240 nan 0.000 0.502 330 G N 1.108 109.782 108.800 -0.210 0.000 2.710 330 G HA2 -0.050 3.910 3.960 -0.000 0.000 0.668 330 G HA3 -0.050 3.910 3.960 -0.000 0.000 0.668 330 G C -0.405 174.438 174.900 -0.095 0.000 1.320 330 G CA -0.667 44.334 45.100 -0.165 0.000 0.860 330 G HN 0.502 nan 8.290 nan 0.000 0.538 331 T N -0.141 114.384 114.554 -0.048 0.000 2.919 331 T HA 0.469 4.819 4.350 -0.000 0.000 0.302 331 T C 0.380 175.048 174.700 -0.052 0.000 1.031 331 T CA 0.343 62.430 62.100 -0.021 0.000 1.127 331 T CB 1.245 70.121 68.868 0.014 0.000 0.952 331 T HN 1.201 nan 8.240 nan 0.000 0.540 332 V N 4.826 124.720 119.914 -0.034 0.000 2.419 332 V HA 0.289 4.409 4.120 -0.000 0.000 0.287 332 V C -0.112 175.989 176.094 0.011 0.000 1.017 332 V CA -0.640 61.643 62.300 -0.029 0.000 0.844 332 V CB 1.359 33.158 31.823 -0.040 0.000 1.011 332 V HN 0.893 nan 8.190 nan 0.000 0.429 333 M N 4.519 124.142 119.600 0.038 0.000 2.497 333 M HA 0.374 4.854 4.480 -0.000 0.000 0.336 333 M C 1.030 177.384 176.300 0.090 0.000 1.378 333 M CA 0.202 55.543 55.300 0.068 0.000 1.375 333 M CB 0.471 33.126 32.600 0.092 0.000 1.337 333 M HN 0.778 nan 8.290 nan 0.000 0.461 334 G N 0.970 109.814 108.800 0.072 0.000 2.508 334 G HA2 0.467 4.427 3.960 -0.000 0.000 0.278 334 G HA3 0.467 4.427 3.960 -0.000 0.000 0.278 334 G C 0.915 175.872 174.900 0.095 0.000 1.389 334 G CA -0.002 45.144 45.100 0.077 0.000 1.050 334 G HN 0.720 nan 8.290 nan 0.000 0.522 335 A N -1.027 121.851 122.820 0.096 0.000 1.903 335 A HA -0.118 4.202 4.320 -0.000 0.000 0.219 335 A C 2.669 180.315 177.584 0.105 0.000 1.191 335 A CA 3.492 55.595 52.037 0.109 0.000 0.638 335 A CB -1.199 17.919 19.000 0.196 0.000 0.823 335 A HN 1.414 nan 8.150 nan 0.000 0.451 336 V N -1.927 118.045 119.914 0.095 0.000 2.453 336 V HA -0.239 3.881 4.120 -0.000 0.000 0.252 336 V C 2.121 178.265 176.094 0.083 0.000 1.068 336 V CA 1.996 64.341 62.300 0.075 0.000 1.070 336 V CB -0.912 30.947 31.823 0.060 0.000 0.664 336 V HN 0.452 nan 8.190 nan 0.000 0.461 337 I N -0.364 120.277 120.570 0.119 0.000 2.333 337 I HA -0.066 4.104 4.170 -0.000 0.000 0.246 337 I C 2.675 178.965 176.117 0.288 0.000 1.106 337 I CA 1.846 63.261 61.300 0.191 0.000 1.411 337 I CB -0.811 37.292 38.000 0.172 0.000 1.082 337 I HN 0.341 nan 8.210 nan 0.000 0.420 338 M N 0.149 119.880 119.600 0.218 0.000 2.175 338 M HA -0.180 4.300 4.480 -0.000 0.000 0.264 338 M C 2.047 178.423 176.300 0.127 0.000 1.063 338 M CA 1.470 56.903 55.300 0.222 0.000 1.119 338 M CB -0.462 32.201 32.600 0.105 0.000 1.377 338 M HN 0.167 nan 8.290 nan 0.000 0.415 339 E N 0.357 120.578 120.200 0.036 0.000 2.114 339 E HA -0.198 4.152 4.350 -0.000 0.000 0.199 339 E C 1.983 178.517 176.600 -0.111 0.000 1.008 339 E CA 1.309 57.694 56.400 -0.025 0.000 0.810 339 E CB -0.397 29.308 29.700 0.009 0.000 0.739 339 E HN 0.645 nan 8.360 nan 0.000 0.456 340 G N -0.589 108.035 108.800 -0.292 0.000 2.679 340 G HA2 -0.031 3.929 3.960 -0.000 0.000 0.212 340 G HA3 -0.031 3.929 3.960 -0.000 0.000 0.212 340 G C 0.150 174.564 174.900 -0.810 0.000 1.137 340 G CA 0.245 44.965 45.100 -0.633 0.000 0.787 340 G HN 0.019 nan 8.290 nan 0.000 0.534 341 F N -2.801 117.213 119.950 0.106 0.000 2.640 341 F HA 0.531 5.058 4.527 0.000 0.000 0.324 341 F C -0.832 175.030 175.800 0.104 0.000 1.077 341 F CA -1.814 56.260 58.000 0.123 0.000 0.965 341 F CB 1.304 40.417 39.000 0.188 0.000 1.351 341 F HN -0.131 nan 8.300 nan 0.000 0.487 342 Y N 1.925 122.301 120.300 0.128 0.000 2.353 342 Y HA 0.662 5.212 4.550 0.000 0.000 0.340 342 Y C -1.095 174.666 175.900 -0.232 0.000 0.972 342 Y CA -1.659 56.411 58.100 -0.050 0.000 1.157 342 Y CB 0.779 39.203 38.460 -0.059 0.000 1.157 342 Y HN 0.295 nan 8.280 nan 0.000 0.495 343 V N 7.325 126.933 119.914 -0.510 0.000 2.370 343 V HA 0.390 4.510 4.120 -0.000 0.000 0.283 343 V C -0.511 174.989 176.094 -0.990 0.000 1.023 343 V CA -1.001 60.773 62.300 -0.877 0.000 0.857 343 V CB 1.248 32.591 31.823 -0.799 0.000 0.985 343 V HN 0.554 nan 8.190 nan 0.000 0.443 344 V N 5.475 124.742 119.914 -1.080 0.000 2.350 344 V HA 0.406 4.526 4.120 -0.000 0.000 0.276 344 V C -0.404 175.173 176.094 -0.862 0.000 1.028 344 V CA -0.290 61.502 62.300 -0.846 0.000 0.860 344 V CB 1.072 32.501 31.823 -0.657 0.000 0.990 344 V HN 0.715 nan 8.190 nan 0.000 0.453 345 F N 2.811 122.265 119.950 -0.827 0.000 2.425 345 F HA 0.275 4.802 4.527 -0.000 0.000 0.354 345 F C 0.909 176.361 175.800 -0.581 0.000 1.162 345 F CA -0.450 56.997 58.000 -0.921 0.000 1.250 345 F CB 0.410 38.288 39.000 -1.871 0.000 1.579 345 F HN 0.442 nan 8.300 nan 0.000 0.589 346 D N 2.698 122.997 120.400 -0.168 0.000 2.608 346 D HA 0.062 4.702 4.640 -0.000 0.000 0.224 346 D C 1.538 177.881 176.300 0.073 0.000 1.123 346 D CA 0.165 54.148 54.000 -0.028 0.000 1.030 346 D CB 0.143 40.956 40.800 0.023 0.000 1.093 346 D HN 0.430 nan 8.370 nan 0.000 0.497 347 R N 1.168 121.740 120.500 0.120 0.000 2.117 347 R HA -0.174 4.166 4.340 -0.000 0.000 0.243 347 R C 2.079 178.502 176.300 0.205 0.000 1.143 347 R CA 1.578 57.835 56.100 0.263 0.000 0.968 347 R CB -0.041 30.448 30.300 0.314 0.000 0.863 347 R HN 0.335 nan 8.270 nan 0.000 0.444 348 A N 0.916 123.823 122.820 0.145 0.000 1.933 348 A HA -0.125 4.195 4.320 -0.000 0.000 0.218 348 A C 1.758 179.380 177.584 0.065 0.000 1.175 348 A CA 1.189 53.289 52.037 0.105 0.000 0.628 348 A CB -0.136 18.914 19.000 0.084 0.000 0.814 348 A HN 0.210 nan 8.150 nan 0.000 0.444 349 R N -1.434 119.090 120.500 0.040 0.000 2.468 349 R HA 0.184 4.524 4.340 -0.000 0.000 0.280 349 R C -0.167 176.150 176.300 0.029 0.000 0.963 349 R CA 0.177 56.279 56.100 0.003 0.000 1.083 349 R CB 0.061 30.317 30.300 -0.072 0.000 1.200 349 R HN 0.485 nan 8.270 nan 0.000 0.541 350 K N 1.991 122.441 120.400 0.083 0.000 3.419 350 K HA -0.238 4.082 4.320 -0.000 0.000 0.272 350 K C -1.107 175.565 176.600 0.120 0.000 0.973 350 K CA 0.812 57.168 56.287 0.115 0.000 0.749 350 K CB -0.643 31.900 32.500 0.071 0.000 1.403 350 K HN 0.473 nan 8.250 nan 0.000 0.456 351 R N 0.029 120.609 120.500 0.134 0.000 2.728 351 R HA 0.628 4.968 4.340 -0.000 0.000 0.274 351 R C -1.028 175.352 176.300 0.133 0.000 1.030 351 R CA -1.200 54.995 56.100 0.158 0.000 0.876 351 R CB 1.051 31.436 30.300 0.142 0.000 1.259 351 R HN 0.074 nan 8.270 nan 0.000 0.468 352 I N 0.636 121.281 120.570 0.124 0.000 2.498 352 I HA 0.500 4.670 4.170 -0.000 0.000 0.290 352 I C -0.144 175.843 176.117 -0.218 0.000 1.032 352 I CA -0.964 60.230 61.300 -0.176 0.000 1.073 352 I CB 2.441 40.269 38.000 -0.286 0.000 1.251 352 I HN 0.866 nan 8.210 nan 0.000 0.426 353 G N 5.003 113.398 108.800 -0.676 0.000 2.388 353 G HA2 0.729 4.689 3.960 -0.000 0.000 0.330 353 G HA3 0.729 4.689 3.960 -0.000 0.000 0.330 353 G C -1.387 172.950 174.900 -0.938 0.000 1.142 353 G CA -0.242 44.208 45.100 -1.084 0.000 0.908 353 G HN 0.309 nan 8.290 nan 0.000 0.473 354 F N 0.588 120.177 119.950 -0.602 0.000 2.520 354 F HA 0.747 5.274 4.527 0.000 0.000 0.322 354 F C 0.436 176.055 175.800 -0.302 0.000 1.103 354 F CA -0.519 57.237 58.000 -0.406 0.000 0.926 354 F CB 2.744 41.538 39.000 -0.344 0.000 1.154 354 F HN 0.706 nan 8.300 nan 0.000 0.453 355 A N 1.613 124.450 122.820 0.028 0.000 2.572 355 A HA 0.710 5.030 4.320 -0.000 0.000 0.295 355 A C -1.464 176.337 177.584 0.362 0.000 1.072 355 A CA -0.820 51.294 52.037 0.128 0.000 0.691 355 A CB 1.115 20.052 19.000 -0.104 0.000 1.291 355 A HN 0.449 nan 8.150 nan 0.000 0.404 356 V N 1.919 122.044 119.914 0.350 0.000 2.540 356 V HA 0.186 4.306 4.120 -0.000 0.000 0.297 356 V C 1.272 177.489 176.094 0.205 0.000 1.024 356 V CA 0.524 63.000 62.300 0.293 0.000 1.105 356 V CB 0.996 32.900 31.823 0.135 0.000 0.938 356 V HN 0.950 nan 8.190 nan 0.000 0.482 357 S N 4.329 120.124 115.700 0.157 0.000 2.562 357 S HA 0.294 4.764 4.470 -0.000 0.000 0.281 357 S C 1.399 176.032 174.600 0.056 0.000 1.333 357 S CA -0.075 58.196 58.200 0.119 0.000 1.052 357 S CB 1.159 64.405 63.200 0.078 0.000 0.884 357 S HN 0.995 nan 8.310 nan 0.000 0.506 358 A N 3.041 125.870 122.820 0.015 0.000 2.070 358 A HA -0.032 4.288 4.320 -0.000 0.000 0.220 358 A C 1.586 179.220 177.584 0.083 0.000 1.159 358 A CA 1.209 53.237 52.037 -0.015 0.000 0.656 358 A CB -1.009 17.949 19.000 -0.069 0.000 0.800 358 A HN 1.236 nan 8.150 nan 0.000 0.453 359 C N 0.181 119.538 119.300 0.095 0.000 2.641 359 C HA 0.539 4.999 4.460 -0.000 0.000 0.294 359 C C 0.465 175.518 174.990 0.104 0.000 1.496 359 C CA -0.986 58.090 59.018 0.098 0.000 1.672 359 C CB -2.050 25.715 27.740 0.041 0.000 2.763 359 C HN 0.589 nan 8.230 nan 0.000 0.545 360 H N -0.451 118.597 119.070 -0.036 0.000 2.690 360 H HA 0.516 5.072 4.556 -0.000 0.000 0.365 360 H C -0.448 174.901 175.328 0.036 0.000 1.142 360 H CA -0.332 55.683 56.048 -0.056 0.000 1.417 360 H CB 0.523 30.234 29.762 -0.084 0.000 1.446 360 H HN 0.259 nan 8.280 nan 0.000 0.599 361 V N 4.599 124.435 119.914 -0.130 0.000 2.583 361 V HA 0.224 4.344 4.120 -0.000 0.000 0.287 361 V C 0.373 176.381 176.094 -0.144 0.000 1.051 361 V CA -0.015 62.164 62.300 -0.202 0.000 1.010 361 V CB 0.334 32.011 31.823 -0.243 0.000 0.988 361 V HN 1.112 nan 8.190 nan 0.000 0.478 362 H N 1.958 120.798 119.070 -0.382 0.000 3.153 362 H HA 0.352 4.908 4.556 -0.000 0.000 0.323 362 H C -1.432 173.736 175.328 -0.266 0.000 1.096 362 H CA -1.100 54.773 56.048 -0.291 0.000 1.385 362 H CB 1.167 30.766 29.762 -0.271 0.000 2.027 362 H HN 0.714 nan 8.280 nan 0.000 0.499 363 D N 1.847 122.092 120.400 -0.257 0.000 2.539 363 D HA 0.179 4.819 4.640 -0.000 0.000 0.280 363 D C 0.611 176.827 176.300 -0.139 0.000 1.208 363 D CA -0.652 53.211 54.000 -0.230 0.000 1.088 363 D CB 0.961 41.694 40.800 -0.112 0.000 1.149 363 D HN 0.433 nan 8.370 nan 0.000 0.596 364 E N -1.679 118.383 120.200 -0.230 0.000 2.481 364 E HA 0.132 4.482 4.350 -0.000 0.000 0.195 364 E C 0.466 176.645 176.600 -0.702 0.000 1.047 364 E CA 0.520 56.616 56.400 -0.508 0.000 0.867 364 E CB -0.236 29.007 29.700 -0.761 0.000 0.858 364 E HN 0.462 nan 8.360 nan 0.000 0.513 365 F N -0.968 118.995 119.950 0.022 0.000 2.740 365 F HA 0.366 4.893 4.527 0.000 0.000 0.304 365 F C 0.908 176.725 175.800 0.028 0.000 1.098 365 F CA -0.253 57.763 58.000 0.028 0.000 1.258 365 F CB 0.563 39.581 39.000 0.030 0.000 1.061 365 F HN -0.269 nan 8.300 nan 0.000 0.598 366 R N -0.791 119.810 120.500 0.169 0.000 2.888 366 R HA 0.714 5.054 4.340 -0.000 0.000 0.264 366 R C -1.016 175.327 176.300 0.071 0.000 1.045 366 R CA -0.748 55.416 56.100 0.107 0.000 0.962 366 R CB 2.121 32.478 30.300 0.095 0.000 1.210 366 R HN -0.170 nan 8.270 nan 0.000 0.479 367 T N -0.246 114.349 114.554 0.069 0.000 3.097 367 T HA 0.502 4.852 4.350 -0.000 0.000 0.332 367 T C -1.199 173.543 174.700 0.071 0.000 1.269 367 T CA -0.419 61.733 62.100 0.086 0.000 1.076 367 T CB 1.353 70.292 68.868 0.119 0.000 1.209 367 T HN 0.709 nan 8.240 nan 0.000 0.474 368 A N 2.550 125.400 122.820 0.049 0.000 2.492 368 A HA 0.756 5.076 4.320 -0.000 0.000 0.236 368 A C 0.616 178.276 177.584 0.126 0.000 1.078 368 A CA 0.423 52.482 52.037 0.037 0.000 0.773 368 A CB -0.295 18.623 19.000 -0.137 0.000 1.023 368 A HN 1.668 nan 8.150 nan 0.000 0.504 369 A N 0.012 122.972 122.820 0.234 0.000 2.599 369 A HA 0.641 4.961 4.320 -0.000 0.000 0.290 369 A C -1.336 176.399 177.584 0.252 0.000 1.101 369 A CA -0.314 51.861 52.037 0.229 0.000 0.674 369 A CB 1.059 20.127 19.000 0.113 0.000 1.277 369 A HN 1.520 nan 8.150 nan 0.000 0.419 370 V N 1.857 121.852 119.914 0.135 0.000 2.398 370 V HA 0.404 4.524 4.120 -0.000 0.000 0.282 370 V C -0.710 175.285 176.094 -0.165 0.000 1.014 370 V CA -0.323 61.964 62.300 -0.021 0.000 0.838 370 V CB 0.868 32.726 31.823 0.058 0.000 1.018 370 V HN 0.869 nan 8.190 nan 0.000 0.432 371 E N 2.749 122.808 120.200 -0.235 0.000 2.227 371 E HA 0.879 5.229 4.350 -0.000 0.000 0.268 371 E C 0.116 176.380 176.600 -0.559 0.000 0.907 371 E CA -0.815 55.421 56.400 -0.275 0.000 0.786 371 E CB 2.948 32.650 29.700 0.004 0.000 1.191 371 E HN 0.737 nan 8.360 nan 0.000 0.411 372 G N 1.645 109.938 108.800 -0.844 0.000 2.559 372 G HA2 0.482 4.442 3.960 -0.000 0.000 0.291 372 G HA3 0.482 4.442 3.960 -0.000 0.000 0.291 372 G C -2.905 171.734 174.900 -0.435 0.000 1.424 372 G CA -0.879 43.580 45.100 -1.067 0.000 0.786 372 G HN 0.413 nan 8.290 nan 0.000 0.485 373 P HA 0.759 nan 4.420 nan 0.000 0.283 373 P C -1.515 175.556 177.300 -0.381 0.000 1.271 373 P CA -0.510 62.528 63.100 -0.103 0.000 0.841 373 P CB 1.752 33.573 31.700 0.203 0.000 1.122 374 F N -1.169 118.822 119.950 0.068 0.000 2.620 374 F HA 0.402 4.929 4.527 -0.000 0.000 0.320 374 F C -0.051 175.793 175.800 0.073 0.000 1.069 374 F CA -0.999 57.044 58.000 0.073 0.000 0.953 374 F CB 2.151 41.223 39.000 0.120 0.000 1.322 374 F HN -0.069 nan 8.300 nan 0.000 0.479 375 V N 1.242 121.309 119.914 0.256 0.000 2.435 375 V HA 0.615 4.735 4.120 -0.000 0.000 0.290 375 V C -0.679 175.473 176.094 0.098 0.000 1.030 375 V CA -0.227 62.160 62.300 0.144 0.000 0.881 375 V CB 1.764 33.646 31.823 0.098 0.000 0.983 375 V HN 0.800 nan 8.190 nan 0.000 0.445 376 T N 6.042 120.640 114.554 0.073 0.000 3.071 376 T HA 0.527 4.877 4.350 -0.000 0.000 0.311 376 T C -0.603 174.116 174.700 0.032 0.000 1.042 376 T CA -0.470 61.647 62.100 0.028 0.000 1.028 376 T CB 1.214 70.090 68.868 0.013 0.000 1.068 376 T HN 0.308 nan 8.240 nan 0.000 0.451 377 L N 2.149 123.382 121.223 0.017 0.000 2.421 377 L HA 0.412 4.752 4.340 -0.000 0.000 0.263 377 L C 0.112 176.992 176.870 0.017 0.000 1.122 377 L CA -0.728 54.123 54.840 0.019 0.000 0.804 377 L CB 0.381 42.447 42.059 0.012 0.000 1.150 377 L HN 0.726 nan 8.230 nan 0.000 0.457 378 D N 1.774 122.186 120.400 0.020 0.000 2.704 378 D HA -0.232 4.408 4.640 -0.000 0.000 0.232 378 D C 1.065 177.380 176.300 0.025 0.000 1.183 378 D CA 0.738 54.749 54.000 0.019 0.000 0.647 378 D CB -0.517 40.290 40.800 0.011 0.000 1.013 378 D HN 0.584 nan 8.370 nan 0.000 0.415 379 M N -0.487 119.133 119.600 0.034 0.000 2.159 379 M HA -0.162 4.318 4.480 -0.000 0.000 0.263 379 M C 2.052 178.379 176.300 0.046 0.000 1.063 379 M CA 1.207 56.532 55.300 0.041 0.000 1.110 379 M CB -0.027 32.603 32.600 0.050 0.000 1.374 379 M HN -0.037 nan 8.290 nan 0.000 0.411 380 E N 0.866 121.091 120.200 0.042 0.000 2.085 380 E HA -0.197 4.153 4.350 -0.000 0.000 0.194 380 E C 1.464 178.088 176.600 0.039 0.000 0.994 380 E CA 1.261 57.686 56.400 0.041 0.000 0.801 380 E CB -0.602 29.116 29.700 0.030 0.000 0.743 380 E HN 0.508 nan 8.360 nan 0.000 0.453 381 D N -0.143 120.275 120.400 0.030 0.000 2.311 381 D HA -0.122 4.518 4.640 -0.000 0.000 0.212 381 D C 1.714 178.038 176.300 0.041 0.000 0.972 381 D CA 0.495 54.510 54.000 0.025 0.000 0.887 381 D CB -0.403 40.405 40.800 0.013 0.000 0.915 381 D HN 0.215 nan 8.370 nan 0.000 0.497 382 C N 0.891 120.224 119.300 0.055 0.000 2.456 382 C HA 0.130 4.590 4.460 -0.000 0.000 0.279 382 C C 1.703 176.761 174.990 0.114 0.000 1.427 382 C CA -0.163 58.902 59.018 0.078 0.000 1.778 382 C CB -1.135 26.659 27.740 0.090 0.000 1.842 382 C HN 0.238 nan 8.230 nan 0.000 0.531 383 G N -0.883 107.980 108.800 0.105 0.000 2.442 383 G HA2 0.340 4.300 3.960 -0.000 0.000 0.249 383 G HA3 0.340 4.300 3.960 -0.000 0.000 0.249 383 G C -0.805 174.192 174.900 0.161 0.000 1.263 383 G CA 0.021 45.202 45.100 0.135 0.000 0.846 383 G HN 0.438 nan 8.290 nan 0.000 0.555 384 Y N 2.333 122.693 120.300 0.100 0.000 2.299 384 Y HA 0.373 4.923 4.550 -0.000 0.000 0.326 384 Y C -0.035 175.920 175.900 0.092 0.000 1.164 384 Y CA -0.976 57.191 58.100 0.112 0.000 1.234 384 Y CB 1.016 39.573 38.460 0.162 0.000 1.219 384 Y HN 0.406 nan 8.280 nan 0.000 0.497 385 N N 6.763 124.943 118.700 -0.867 0.000 2.342 385 N HA 0.348 5.088 4.740 -0.000 0.000 0.293 385 N C -0.462 174.565 175.510 -0.804 0.000 1.026 385 N CA -0.409 52.276 53.050 -0.608 0.000 0.857 385 N CB 1.817 40.117 38.487 -0.311 0.000 1.256 385 N HN 0.661 nan 8.380 nan 0.000 0.484 386 I N 0.000 120.358 120.570 -0.353 0.000 2.984 386 I HA 0.000 4.170 4.170 -0.000 0.000 0.288 386 I CA 0.000 61.231 61.300 -0.115 0.000 1.566 386 I CB 0.000 37.999 38.000 -0.001 0.000 1.214 386 I HN 0.000 nan 8.210 nan 0.000 0.494