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 3cp8_1_B DATA FIRST_RESID 0 DATA SEQUENCE HMYDVIVVGA GHAGCEAALA VARGGLHCLL ITSDLSAVAR MSCNPAIGGV DATA SEQUENCE AKGQITREID ALGGEMGKAI DATGIQFRML NRSKGPAMHS PRAQADKTQY DATA SEQUENCE SLYMRRIVEH EPNIDLLQDT VIGVSANSGK FSSVTVRSGR AIQAKAAILA DATA SEQUENCE CGTFLNGLIH IGMDHFPGGR STAEPPVEGL TESLASLGFS FGRLKTGTPP DATA SEQUENCE RIDSRSVDYT IVTEQPGDVD PVPFSFSSTS VANRNLVSCY LTKTTEKTHD DATA SEQUENCE ILRTGFDRSP LFTGXXXXXX XXXCPSIEDK ISRFPDKSSH HIFLEPEGTD DATA SEQUENCE TVEMYVNGFS TSLPEDIQIA GLRSIPGLEE AKMIRPGYAI EYDFFHPWQI DATA SEQUENCE RSTMETRPVE NLFFAGQING TSGYEEAAAQ GLMAGINAVR KILGKELIVL DATA SEQUENCE GRDQAYIGVL IDDLITKETK EPYRMFTSSA EHRLILRHDN ADLRLRKIGY DATA SEQUENCE DCNLVSSDDL HRTESIIKRV QHCLEVMKTA KVTPAEINTL LMNKGLQELK DATA SEQUENCE TPARALSLIK RPGISLQDIL EHSLSVRSAA EELCNDPRVA EQVQIEIKYE DATA SEQUENCE GYIKREQLVA DRIARLDSLH IPDNFNYDSL NSLSSEGREK LLKHRPATIG DATA SEQUENCE QASRILGVSP SDVSILMIRL 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 0 H HA 0.000 nan 4.556 nan 0.000 0.296 0 H C 0.000 175.241 175.328 -0.145 0.000 0.993 0 H CA 0.000 55.995 56.048 -0.089 0.000 1.023 0 H CB 0.000 29.707 29.762 -0.092 0.000 1.292 1 M N 1.248 120.641 119.600 -0.345 0.000 2.532 1 M HA 0.539 5.021 4.480 0.004 0.000 0.257 1 M C -0.759 175.313 176.300 -0.379 0.000 0.941 1 M CA -0.868 54.274 55.300 -0.263 0.000 1.206 1 M CB 1.183 33.711 32.600 -0.119 0.000 1.472 1 M HN 0.409 nan 8.290 nan 0.000 0.665 2 Y N 0.836 121.064 120.300 -0.120 0.000 2.354 2 Y HA 0.207 4.759 4.550 0.004 0.000 0.322 2 Y C 0.907 176.793 175.900 -0.023 0.000 1.253 2 Y CA -0.153 57.896 58.100 -0.085 0.000 1.272 2 Y CB 0.701 39.140 38.460 -0.036 0.000 1.255 2 Y HN 0.583 nan 8.280 nan 0.000 0.500 3 D N 0.154 120.685 120.400 0.218 0.000 2.232 3 D HA 0.043 4.686 4.640 0.004 0.000 0.220 3 D C -0.459 175.927 176.300 0.143 0.000 0.982 3 D CA 1.138 55.226 54.000 0.147 0.000 0.892 3 D CB 0.075 40.954 40.800 0.131 0.000 1.040 3 D HN 0.128 nan 8.370 nan 0.000 0.463 4 V N 2.447 122.434 119.914 0.121 0.000 2.487 4 V HA 0.350 4.472 4.120 0.004 0.000 0.298 4 V C -0.054 176.049 176.094 0.015 0.000 1.028 4 V CA -0.899 61.423 62.300 0.036 0.000 0.860 4 V CB 2.021 33.825 31.823 -0.033 0.000 0.991 4 V HN 0.098 nan 8.190 nan 0.000 0.427 5 I N 2.818 123.375 120.570 -0.022 0.000 2.362 5 I HA 0.749 4.922 4.170 0.004 0.000 0.289 5 I C -0.753 175.313 176.117 -0.085 0.000 0.994 5 I CA -0.700 60.556 61.300 -0.073 0.000 1.158 5 I CB 1.818 39.781 38.000 -0.062 0.000 1.315 5 I HN 0.257 nan 8.210 nan 0.000 0.451 6 V N 7.134 126.998 119.914 -0.083 0.000 2.350 6 V HA 0.287 4.409 4.120 0.004 0.000 0.276 6 V C 0.396 176.454 176.094 -0.060 0.000 1.028 6 V CA -0.697 61.563 62.300 -0.067 0.000 0.860 6 V CB 1.278 33.069 31.823 -0.054 0.000 0.990 6 V HN 0.677 nan 8.190 nan 0.000 0.453 7 V N 3.130 123.014 119.914 -0.051 0.000 2.432 7 V HA 0.978 5.101 4.120 0.004 0.000 0.275 7 V C 0.380 176.455 176.094 -0.032 0.000 1.043 7 V CA 0.358 62.630 62.300 -0.047 0.000 0.925 7 V CB 0.533 32.329 31.823 -0.046 0.000 0.985 7 V HN 1.722 nan 8.190 nan 0.000 0.466 8 G N 3.581 112.360 108.800 -0.035 0.000 3.322 8 G HA2 0.354 4.316 3.960 0.004 0.000 0.686 8 G HA3 0.354 4.316 3.960 0.004 0.000 0.686 8 G C -0.086 174.808 174.900 -0.011 0.000 1.015 8 G CA -0.205 44.887 45.100 -0.012 0.000 0.826 8 G HN 2.326 nan 8.290 nan 0.000 0.538 9 A N 2.252 125.060 122.820 -0.021 0.000 3.264 9 A HA 0.790 5.113 4.320 0.004 0.000 0.299 9 A C 1.349 178.908 177.584 -0.042 0.000 1.272 9 A CA 1.065 53.083 52.037 -0.032 0.000 1.030 9 A CB -0.220 18.752 19.000 -0.046 0.000 1.102 9 A HN 2.070 nan 8.150 nan 0.000 0.615 10 G N -0.813 107.977 108.800 -0.016 0.000 2.582 10 G HA2 0.332 4.295 3.960 0.004 0.000 0.232 10 G HA3 0.332 4.295 3.960 0.004 0.000 0.232 10 G C 0.625 175.441 174.900 -0.139 0.000 1.458 10 G CA -0.077 44.975 45.100 -0.079 0.000 1.062 10 G HN 0.584 nan 8.290 nan 0.000 0.566 11 H N -0.408 118.712 119.070 0.084 0.000 2.357 11 H HA 0.102 4.660 4.556 0.003 0.000 0.301 11 H C 2.716 178.097 175.328 0.088 0.000 1.082 11 H CA 1.611 57.715 56.048 0.094 0.000 1.342 11 H CB -0.095 29.738 29.762 0.119 0.000 1.389 11 H HN 0.405 nan 8.280 nan 0.000 0.511 12 A N 0.610 123.549 122.820 0.199 0.000 1.873 12 A HA -0.088 4.235 4.320 0.004 0.000 0.215 12 A C 2.703 180.336 177.584 0.083 0.000 1.186 12 A CA 1.539 53.657 52.037 0.135 0.000 0.616 12 A CB -1.299 17.777 19.000 0.126 0.000 0.823 12 A HN 0.498 nan 8.150 nan 0.000 0.442 13 G N -0.808 108.026 108.800 0.058 0.000 2.440 13 G HA2 -0.299 3.664 3.960 0.004 0.000 0.218 13 G HA3 -0.299 3.664 3.960 0.004 0.000 0.218 13 G C 1.607 176.511 174.900 0.007 0.000 1.154 13 G CA 1.384 46.496 45.100 0.021 0.000 0.767 13 G HN 0.525 nan 8.290 nan 0.000 0.552 14 C N 0.250 119.554 119.300 0.007 0.000 2.442 14 C HA 0.009 4.472 4.460 0.004 0.000 0.279 14 C C 2.808 177.809 174.990 0.018 0.000 1.237 14 C CA 0.947 59.966 59.018 0.001 0.000 1.722 14 C CB -0.591 27.146 27.740 -0.005 0.000 2.056 14 C HN 0.466 nan 8.230 nan 0.000 0.469 15 E N 0.984 121.212 120.200 0.047 0.000 2.160 15 E HA -0.161 4.192 4.350 0.004 0.000 0.195 15 E C 2.271 178.888 176.600 0.029 0.000 0.991 15 E CA 1.519 57.950 56.400 0.053 0.000 0.810 15 E CB -0.574 29.176 29.700 0.084 0.000 0.742 15 E HN 0.688 nan 8.360 nan 0.000 0.466 16 A N 1.650 124.482 122.820 0.020 0.000 1.832 16 A HA -0.055 4.267 4.320 0.004 0.000 0.214 16 A C 2.481 180.049 177.584 -0.026 0.000 1.200 16 A CA 2.157 54.188 52.037 -0.010 0.000 0.610 16 A CB -0.863 18.130 19.000 -0.011 0.000 0.842 16 A HN 0.277 nan 8.150 nan 0.000 0.444 17 A N -0.512 122.295 122.820 -0.022 0.000 1.940 17 A HA -0.086 4.237 4.320 0.004 0.000 0.219 17 A C 2.208 179.781 177.584 -0.019 0.000 1.176 17 A CA 1.640 53.662 52.037 -0.026 0.000 0.631 17 A CB -0.668 18.316 19.000 -0.028 0.000 0.814 17 A HN 0.483 nan 8.150 nan 0.000 0.446 18 L N -1.039 120.178 121.223 -0.011 0.000 2.056 18 L HA -0.176 4.166 4.340 0.004 0.000 0.207 18 L C 3.097 179.963 176.870 -0.007 0.000 1.078 18 L CA 0.996 55.832 54.840 -0.006 0.000 0.749 18 L CB -0.480 41.582 42.059 0.005 0.000 0.901 18 L HN 0.449 nan 8.230 nan 0.000 0.433 19 A N -0.453 122.363 122.820 -0.008 0.000 1.898 19 A HA -0.133 4.189 4.320 0.004 0.000 0.216 19 A C 2.300 179.867 177.584 -0.029 0.000 1.181 19 A CA 1.600 53.629 52.037 -0.014 0.000 0.620 19 A CB -0.736 18.255 19.000 -0.014 0.000 0.819 19 A HN 0.192 nan 8.150 nan 0.000 0.442 20 V N -0.151 119.741 119.914 -0.037 0.000 2.343 20 V HA -0.237 3.886 4.120 0.004 0.000 0.247 20 V C 3.014 179.097 176.094 -0.018 0.000 1.051 20 V CA 1.969 64.246 62.300 -0.037 0.000 1.036 20 V CB -1.256 30.543 31.823 -0.040 0.000 0.654 20 V HN 0.619 nan 8.190 nan 0.000 0.451 21 A N 0.210 123.020 122.820 -0.015 0.000 1.841 21 A HA -0.185 4.138 4.320 0.004 0.000 0.214 21 A C 2.333 179.903 177.584 -0.023 0.000 1.195 21 A CA 1.667 53.693 52.037 -0.018 0.000 0.611 21 A CB -0.537 18.451 19.000 -0.020 0.000 0.835 21 A HN 0.468 nan 8.150 nan 0.000 0.443 22 R N -0.538 119.950 120.500 -0.021 0.000 2.200 22 R HA -0.094 4.248 4.340 0.004 0.000 0.234 22 R C 1.832 178.114 176.300 -0.031 0.000 1.127 22 R CA 0.876 56.962 56.100 -0.022 0.000 0.989 22 R CB -0.468 29.824 30.300 -0.013 0.000 0.869 22 R HN 0.511 nan 8.270 nan 0.000 0.459 23 G N -0.460 108.322 108.800 -0.031 0.000 3.124 23 G HA2 0.154 4.117 3.960 0.004 0.000 0.212 23 G HA3 0.154 4.117 3.960 0.004 0.000 0.212 23 G C 0.726 175.609 174.900 -0.029 0.000 1.181 23 G CA 0.255 45.333 45.100 -0.037 0.000 0.803 23 G HN 0.426 nan 8.290 nan 0.000 0.529 24 G N -1.005 107.780 108.800 -0.025 0.000 2.198 24 G HA2 -0.198 3.765 3.960 0.004 0.000 0.257 24 G HA3 -0.198 3.765 3.960 0.004 0.000 0.257 24 G C -0.127 174.773 174.900 0.000 0.000 1.042 24 G CA 0.229 45.318 45.100 -0.019 0.000 0.791 24 G HN 0.447 nan 8.290 nan 0.000 0.502 25 L N -0.251 120.979 121.223 0.011 0.000 2.354 25 L HA 0.581 4.923 4.340 0.004 0.000 0.269 25 L C 0.460 177.386 176.870 0.093 0.000 1.005 25 L CA -1.387 53.487 54.840 0.057 0.000 0.819 25 L CB 1.615 43.707 42.059 0.055 0.000 1.311 25 L HN 0.273 nan 8.230 nan 0.000 0.423 26 H N 1.709 120.831 119.070 0.087 0.000 2.975 26 H HA 0.172 4.730 4.556 0.005 0.000 0.303 26 H C -0.782 174.668 175.328 0.204 0.000 1.023 26 H CA 0.188 56.319 56.048 0.140 0.000 1.473 26 H CB 0.806 30.647 29.762 0.132 0.000 1.498 26 H HN 0.622 nan 8.280 nan 0.000 0.549 27 C N 6.328 125.880 119.300 0.421 0.000 2.563 27 C HA 0.528 4.991 4.460 0.004 0.000 0.314 27 C C -0.976 174.083 174.990 0.116 0.000 1.199 27 C CA -0.937 58.213 59.018 0.220 0.000 1.564 27 C CB 0.257 28.044 27.740 0.079 0.000 2.173 27 C HN 0.751 nan 8.230 nan 0.000 0.485 28 L N 6.158 127.297 121.223 -0.139 0.000 2.345 28 L HA 0.642 4.985 4.340 0.004 0.000 0.274 28 L C -0.882 175.866 176.870 -0.203 0.000 0.999 28 L CA -0.268 54.358 54.840 -0.357 0.000 0.849 28 L CB 1.259 42.724 42.059 -0.990 0.000 1.220 28 L HN 0.738 nan 8.230 nan 0.000 0.422 29 L N 6.650 127.796 121.223 -0.129 0.000 2.283 29 L HA 0.503 4.845 4.340 0.004 0.000 0.287 29 L C -0.678 176.133 176.870 -0.098 0.000 1.073 29 L CA 0.376 55.160 54.840 -0.094 0.000 0.822 29 L CB 0.340 42.359 42.059 -0.065 0.000 1.186 29 L HN 0.520 nan 8.230 nan 0.000 0.436 30 I N 4.615 125.129 120.570 -0.094 0.000 2.339 30 I HA 0.432 4.605 4.170 0.004 0.000 0.290 30 I C 0.121 176.192 176.117 -0.076 0.000 0.994 30 I CA -0.215 61.034 61.300 -0.085 0.000 1.191 30 I CB 1.646 39.598 38.000 -0.081 0.000 1.343 30 I HN 0.596 nan 8.210 nan 0.000 0.458 31 T N 2.369 116.875 114.554 -0.079 0.000 2.956 31 T HA 0.218 4.571 4.350 0.004 0.000 0.312 31 T C 0.745 175.380 174.700 -0.109 0.000 1.151 31 T CA -0.520 61.525 62.100 -0.093 0.000 1.024 31 T CB 1.630 70.450 68.868 -0.080 0.000 1.140 31 T HN 0.518 nan 8.240 nan 0.000 0.473 32 S N 2.474 118.080 115.700 -0.155 0.000 2.419 32 S HA 0.041 4.514 4.470 0.004 0.000 0.233 32 S C 0.377 174.896 174.600 -0.134 0.000 1.016 32 S CA 0.820 58.920 58.200 -0.167 0.000 0.974 32 S CB -0.163 62.876 63.200 -0.268 0.000 0.786 32 S HN 0.784 nan 8.310 nan 0.000 0.492 33 D N -0.756 119.570 120.400 -0.122 0.000 2.470 33 D HA 0.325 4.968 4.640 0.004 0.000 0.233 33 D C 0.027 176.292 176.300 -0.059 0.000 1.372 33 D CA -0.395 53.556 54.000 -0.082 0.000 0.994 33 D CB 0.731 41.485 40.800 -0.076 0.000 1.377 33 D HN -0.186 nan 8.370 nan 0.000 0.586 34 L N 1.941 123.135 121.223 -0.049 0.000 2.291 34 L HA 0.017 4.360 4.340 0.004 0.000 0.214 34 L C 2.121 178.974 176.870 -0.029 0.000 1.120 34 L CA 1.141 55.956 54.840 -0.041 0.000 0.799 34 L CB -0.299 41.735 42.059 -0.042 0.000 0.925 34 L HN 0.358 nan 8.230 nan 0.000 0.446 35 S N -0.522 115.165 115.700 -0.022 0.000 2.500 35 S HA -0.024 4.448 4.470 0.004 0.000 0.239 35 S C 1.533 176.133 174.600 -0.000 0.000 0.989 35 S CA 0.890 59.084 58.200 -0.010 0.000 0.951 35 S CB -0.215 62.982 63.200 -0.005 0.000 0.759 35 S HN 0.440 nan 8.310 nan 0.000 0.523 36 A N 0.919 123.737 122.820 -0.004 0.000 2.606 36 A HA 0.490 4.813 4.320 0.004 0.000 0.290 36 A C 0.536 178.120 177.584 0.001 0.000 1.174 36 A CA -0.467 51.578 52.037 0.013 0.000 0.958 36 A CB -0.045 18.977 19.000 0.035 0.000 1.194 36 A HN 0.347 nan 8.150 nan 0.000 0.526 37 V N -1.907 117.995 119.914 -0.020 0.000 2.763 37 V HA 0.461 4.584 4.120 0.004 0.000 0.306 37 V C 0.950 177.008 176.094 -0.060 0.000 1.059 37 V CA 0.258 62.532 62.300 -0.043 0.000 1.138 37 V CB 0.180 31.973 31.823 -0.050 0.000 0.940 37 V HN 1.964 nan 8.190 nan 0.000 0.489 38 A N 2.640 125.374 122.820 -0.142 0.000 2.774 38 A HA -0.289 4.034 4.320 0.004 0.000 0.290 38 A C 1.056 178.529 177.584 -0.185 0.000 1.484 38 A CA 1.568 53.421 52.037 -0.306 0.000 0.863 38 A CB -1.970 16.944 19.000 -0.143 0.000 0.989 38 A HN 1.526 nan 8.150 nan 0.000 0.554 39 R N -0.390 120.061 120.500 -0.082 0.000 2.585 39 R HA 0.296 4.638 4.340 0.004 0.000 0.275 39 R C 0.527 176.815 176.300 -0.020 0.000 1.018 39 R CA 0.268 56.364 56.100 -0.008 0.000 1.072 39 R CB 0.075 30.403 30.300 0.047 0.000 0.953 39 R HN 0.528 nan 8.270 nan 0.000 0.419 40 M N 4.689 124.234 119.600 -0.091 0.000 2.365 40 M HA 0.111 4.594 4.480 0.004 0.000 0.350 40 M C 0.765 177.092 176.300 0.045 0.000 1.274 40 M CA -0.191 54.983 55.300 -0.211 0.000 1.252 40 M CB 1.426 33.747 32.600 -0.465 0.000 1.297 40 M HN 0.692 nan 8.290 nan 0.000 0.438 41 S N 0.446 116.249 115.700 0.172 0.000 2.400 41 S HA -0.111 4.361 4.470 0.004 0.000 0.232 41 S C 1.325 176.023 174.600 0.162 0.000 1.025 41 S CA 0.852 59.148 58.200 0.161 0.000 0.993 41 S CB 0.021 63.303 63.200 0.137 0.000 0.808 41 S HN 0.868 nan 8.310 nan 0.000 0.478 42 C N 0.694 120.121 119.300 0.212 0.000 2.982 42 C HA 0.352 4.815 4.460 0.004 0.000 0.091 42 C C 0.573 175.599 174.990 0.061 0.000 2.445 42 C CA -0.636 58.480 59.018 0.164 0.000 1.201 42 C CB -0.619 27.141 27.740 0.033 0.000 2.073 42 C HN 0.376 nan 8.230 nan 0.000 0.508 43 N N 2.184 120.794 118.700 -0.150 0.000 2.454 43 N HA 0.119 4.862 4.740 0.004 0.000 0.260 43 N C -2.334 172.934 175.510 -0.404 0.000 1.218 43 N CA -0.149 52.542 53.050 -0.599 0.000 0.904 43 N CB 0.921 39.182 38.487 -0.376 0.000 1.065 43 N HN 0.443 nan 8.380 nan 0.000 0.462 44 P HA 0.225 nan 4.420 nan 0.000 0.220 44 P C -1.269 175.851 177.300 -0.301 0.000 1.793 44 P CA -0.046 62.846 63.100 -0.346 0.000 0.917 44 P CB 0.009 31.539 31.700 -0.284 0.000 1.755 45 A N 0.400 123.053 122.820 -0.278 0.000 2.606 45 A HA 0.753 5.076 4.320 0.004 0.000 0.293 45 A C -1.450 176.001 177.584 -0.223 0.000 1.082 45 A CA -0.617 51.262 52.037 -0.265 0.000 0.685 45 A CB 1.216 20.061 19.000 -0.259 0.000 1.284 45 A HN 0.092 nan 8.150 nan 0.000 0.408 46 I N 0.978 121.388 120.570 -0.267 0.000 2.498 46 I HA 0.649 4.821 4.170 0.004 0.000 0.290 46 I C 0.631 176.660 176.117 -0.146 0.000 1.032 46 I CA 0.531 61.690 61.300 -0.235 0.000 1.073 46 I CB 2.123 39.915 38.000 -0.347 0.000 1.251 46 I HN 1.558 nan 8.210 nan 0.000 0.426 47 G N 3.740 112.517 108.800 -0.039 0.000 2.447 47 G HA2 0.400 4.363 3.960 0.004 0.000 0.220 47 G HA3 0.400 4.363 3.960 0.004 0.000 0.220 47 G C -0.223 174.661 174.900 -0.027 0.000 1.261 47 G CA -0.124 45.027 45.100 0.084 0.000 1.000 47 G HN 1.580 nan 8.290 nan 0.000 0.515 48 G N -3.128 105.652 108.800 -0.034 0.000 2.318 48 G HA2 0.325 4.288 3.960 0.004 0.000 0.367 48 G HA3 0.325 4.288 3.960 0.004 0.000 0.367 48 G C 0.915 175.773 174.900 -0.070 0.000 1.260 48 G CA 0.743 45.793 45.100 -0.082 0.000 1.055 48 G HN 1.933 nan 8.290 nan 0.000 0.484 49 V N 0.742 120.625 119.914 -0.051 0.000 2.217 49 V HA -0.064 4.058 4.120 0.004 0.000 0.248 49 V C 3.362 179.433 176.094 -0.039 0.000 1.050 49 V CA 4.198 66.488 62.300 -0.016 0.000 1.007 49 V CB -1.302 30.553 31.823 0.055 0.000 0.639 49 V HN 1.933 nan 8.190 nan 0.000 0.452 50 A N -1.305 121.506 122.820 -0.016 0.000 2.095 50 A HA 0.002 4.324 4.320 0.004 0.000 0.212 50 A C 2.131 179.626 177.584 -0.149 0.000 1.162 50 A CA 0.831 52.817 52.037 -0.084 0.000 0.753 50 A CB -0.253 18.786 19.000 0.064 0.000 0.840 50 A HN 0.571 nan 8.150 nan 0.000 0.468 51 K N -0.193 120.163 120.400 -0.073 0.000 2.155 51 K HA -0.023 4.299 4.320 0.004 0.000 0.203 51 K C 2.045 178.637 176.600 -0.013 0.000 1.052 51 K CA 0.925 57.185 56.287 -0.044 0.000 0.948 51 K CB -0.257 32.214 32.500 -0.048 0.000 0.728 51 K HN 0.420 nan 8.250 nan 0.000 0.448 52 G N 1.228 110.007 108.800 -0.035 0.000 2.421 52 G HA2 -0.286 3.676 3.960 0.004 0.000 0.216 52 G HA3 -0.286 3.676 3.960 0.004 0.000 0.216 52 G C 1.361 176.213 174.900 -0.081 0.000 1.171 52 G CA 0.642 45.731 45.100 -0.018 0.000 0.775 52 G HN 0.198 nan 8.290 nan 0.000 0.543 53 Q N -0.149 119.531 119.800 -0.201 0.000 2.050 53 Q HA 0.036 4.379 4.340 0.004 0.000 0.202 53 Q C 2.415 178.351 176.000 -0.106 0.000 0.980 53 Q CA 1.069 56.730 55.803 -0.237 0.000 0.840 53 Q CB -0.372 27.930 28.738 -0.726 0.000 0.898 53 Q HN 0.595 nan 8.270 nan 0.000 0.424 54 I N -0.088 120.415 120.570 -0.112 0.000 2.614 54 I HA -0.249 3.924 4.170 0.004 0.000 0.258 54 I C 1.162 177.338 176.117 0.100 0.000 1.189 54 I CA 1.099 62.422 61.300 0.038 0.000 1.462 54 I CB 0.051 38.087 38.000 0.059 0.000 1.092 54 I HN 0.228 nan 8.210 nan 0.000 0.442 55 T N 0.874 115.498 114.554 0.118 0.000 2.770 55 T HA -0.095 4.258 4.350 0.004 0.000 0.263 55 T C 1.956 176.785 174.700 0.214 0.000 1.039 55 T CA 1.018 63.231 62.100 0.189 0.000 1.142 55 T CB -0.215 68.842 68.868 0.316 0.000 0.868 55 T HN 0.371 nan 8.240 nan 0.000 0.435 56 R N 1.171 121.785 120.500 0.190 0.000 2.105 56 R HA -0.074 4.269 4.340 0.004 0.000 0.239 56 R C 2.393 178.866 176.300 0.287 0.000 1.135 56 R CA 1.254 57.461 56.100 0.178 0.000 0.967 56 R CB -0.276 30.081 30.300 0.094 0.000 0.861 56 R HN 0.585 nan 8.270 nan 0.000 0.442 57 E N 0.511 120.846 120.200 0.224 0.000 2.152 57 E HA -0.116 4.236 4.350 0.004 0.000 0.192 57 E C 2.032 178.744 176.600 0.188 0.000 0.983 57 E CA 0.757 57.284 56.400 0.213 0.000 0.818 57 E CB -0.073 29.741 29.700 0.189 0.000 0.758 57 E HN 0.312 nan 8.360 nan 0.000 0.467 58 I N 1.243 121.916 120.570 0.173 0.000 2.179 58 I HA -0.274 3.898 4.170 0.004 0.000 0.242 58 I C 2.211 178.427 176.117 0.165 0.000 1.088 58 I CA 1.381 62.773 61.300 0.153 0.000 1.357 58 I CB -0.141 37.944 38.000 0.141 0.000 1.051 58 I HN 0.059 nan 8.210 nan 0.000 0.409 59 D N 0.722 121.241 120.400 0.199 0.000 2.104 59 D HA -0.204 4.438 4.640 0.004 0.000 0.194 59 D C 2.215 178.668 176.300 0.256 0.000 0.994 59 D CA 1.572 55.706 54.000 0.223 0.000 0.830 59 D CB 0.007 40.953 40.800 0.242 0.000 0.959 59 D HN 0.309 nan 8.370 nan 0.000 0.452 60 A N -0.115 122.891 122.820 0.310 0.000 1.986 60 A HA -0.140 4.183 4.320 0.004 0.000 0.220 60 A C 2.207 179.859 177.584 0.113 0.000 1.171 60 A CA 1.100 53.254 52.037 0.194 0.000 0.640 60 A CB -0.746 18.343 19.000 0.147 0.000 0.811 60 A HN 0.394 nan 8.150 nan 0.000 0.451 61 L N -1.719 119.577 121.223 0.122 0.000 2.554 61 L HA 0.207 4.549 4.340 0.004 0.000 0.226 61 L C 1.447 178.367 176.870 0.084 0.000 1.137 61 L CA 0.578 55.473 54.840 0.093 0.000 0.863 61 L CB -0.009 42.106 42.059 0.092 0.000 0.985 61 L HN 0.603 nan 8.230 nan 0.000 0.451 62 G N -0.051 108.809 108.800 0.099 0.000 2.173 62 G HA2 -0.140 3.822 3.960 0.004 0.000 0.174 62 G HA3 -0.140 3.822 3.960 0.004 0.000 0.174 62 G C 0.248 175.196 174.900 0.080 0.000 1.025 62 G CA -0.326 44.825 45.100 0.084 0.000 0.706 62 G HN 0.456 nan 8.290 nan 0.000 0.499 63 G N -1.207 107.651 108.800 0.097 0.000 2.511 63 G HA2 0.610 4.572 3.960 0.004 0.000 0.316 63 G HA3 0.610 4.572 3.960 0.004 0.000 0.316 63 G C 0.550 175.508 174.900 0.097 0.000 1.210 63 G CA -0.054 45.102 45.100 0.092 0.000 0.969 63 G HN 0.041 nan 8.290 nan 0.000 0.492 64 E N -0.052 120.204 120.200 0.094 0.000 2.216 64 E HA -0.031 4.322 4.350 0.004 0.000 0.192 64 E C 2.343 178.991 176.600 0.080 0.000 0.973 64 E CA 0.105 56.567 56.400 0.102 0.000 0.851 64 E CB -0.092 29.673 29.700 0.108 0.000 0.804 64 E HN 0.583 nan 8.360 nan 0.000 0.477 65 M N 0.303 119.958 119.600 0.091 0.000 2.143 65 M HA -0.166 4.316 4.480 0.004 0.000 0.258 65 M C 1.926 178.232 176.300 0.009 0.000 1.071 65 M CA 2.219 57.572 55.300 0.089 0.000 1.088 65 M CB -0.324 32.356 32.600 0.135 0.000 1.360 65 M HN 0.106 nan 8.290 nan 0.000 0.404 66 G N 0.362 109.189 108.800 0.046 0.000 2.480 66 G HA2 -0.237 3.726 3.960 0.004 0.000 0.216 66 G HA3 -0.237 3.726 3.960 0.004 0.000 0.216 66 G C 1.468 176.366 174.900 -0.003 0.000 1.200 66 G CA 1.188 46.322 45.100 0.057 0.000 0.782 66 G HN 0.498 nan 8.290 nan 0.000 0.554 67 K N 0.688 121.089 120.400 0.002 0.000 2.063 67 K HA 0.029 4.352 4.320 0.004 0.000 0.208 67 K C 2.922 179.351 176.600 -0.286 0.000 1.048 67 K CA 1.045 57.305 56.287 -0.045 0.000 0.928 67 K CB -0.271 32.267 32.500 0.064 0.000 0.713 67 K HN 0.270 nan 8.250 nan 0.000 0.442 68 A N 1.224 123.795 122.820 -0.415 0.000 1.908 68 A HA -0.184 4.139 4.320 0.004 0.000 0.218 68 A C 2.140 179.383 177.584 -0.568 0.000 1.181 68 A CA 1.487 52.982 52.037 -0.904 0.000 0.627 68 A CB -0.423 18.138 19.000 -0.732 0.000 0.818 68 A HN 0.306 nan 8.150 nan 0.000 0.445 69 I N -0.534 119.868 120.570 -0.280 0.000 2.716 69 I HA -0.070 4.102 4.170 0.004 0.000 0.259 69 I C 1.141 177.234 176.117 -0.038 0.000 1.172 69 I CA 1.270 62.441 61.300 -0.215 0.000 1.478 69 I CB -0.181 37.526 38.000 -0.488 0.000 1.104 69 I HN 0.170 nan 8.210 nan 0.000 0.439 70 D N 0.748 121.155 120.400 0.012 0.000 2.183 70 D HA -0.015 4.627 4.640 0.004 0.000 0.203 70 D C 2.208 178.528 176.300 0.034 0.000 0.969 70 D CA 1.302 55.392 54.000 0.149 0.000 0.842 70 D CB -0.039 40.789 40.800 0.047 0.000 0.957 70 D HN 0.448 nan 8.370 nan 0.000 0.484 71 A N -0.451 122.284 122.820 -0.142 0.000 2.016 71 A HA -0.016 4.306 4.320 0.004 0.000 0.217 71 A C 1.884 179.404 177.584 -0.106 0.000 1.162 71 A CA 1.233 53.165 52.037 -0.174 0.000 0.662 71 A CB 0.090 18.818 19.000 -0.453 0.000 0.812 71 A HN 0.161 nan 8.150 nan 0.000 0.450 72 T N -0.658 113.830 114.554 -0.109 0.000 3.111 72 T HA 0.317 4.669 4.350 0.004 0.000 0.284 72 T C 0.858 175.553 174.700 -0.009 0.000 0.983 72 T CA 0.219 62.288 62.100 -0.052 0.000 0.900 72 T CB 0.426 69.245 68.868 -0.082 0.000 1.132 72 T HN 0.469 nan 8.240 nan 0.000 0.531 73 G N 0.539 109.366 108.800 0.045 0.000 2.554 73 G HA2 0.457 4.420 3.960 0.004 0.000 0.238 73 G HA3 0.457 4.420 3.960 0.004 0.000 0.238 73 G C 0.486 175.407 174.900 0.034 0.000 1.259 73 G CA -0.184 44.886 45.100 -0.050 0.000 0.843 73 G HN 0.377 nan 8.290 nan 0.000 0.582 74 I N -0.656 119.872 120.570 -0.070 0.000 3.812 74 I HA 0.165 4.337 4.170 0.004 0.000 0.292 74 I C 0.786 176.912 176.117 0.016 0.000 1.206 74 I CA 0.287 61.582 61.300 -0.007 0.000 1.370 74 I CB 0.554 38.532 38.000 -0.035 0.000 1.328 74 I HN 0.637 nan 8.210 nan 0.000 0.453 75 Q N 0.431 120.195 119.800 -0.060 0.000 2.271 75 Q HA 0.414 4.757 4.340 0.004 0.000 0.268 75 Q C -1.733 174.221 176.000 -0.077 0.000 1.021 75 Q CA -0.536 55.269 55.803 0.004 0.000 0.802 75 Q CB 1.660 30.383 28.738 -0.025 0.000 1.282 75 Q HN -0.076 nan 8.270 nan 0.000 0.431 76 F N 1.783 121.728 119.950 -0.009 0.000 2.404 76 F HA 0.626 5.153 4.527 0.000 0.000 0.339 76 F C 0.192 175.982 175.800 -0.017 0.000 1.105 76 F CA -0.461 57.544 58.000 0.008 0.000 1.087 76 F CB 1.897 40.907 39.000 0.017 0.000 1.143 76 F HN 0.590 nan 8.300 nan 0.000 0.491 77 R N 3.606 124.166 120.500 0.101 0.000 2.508 77 R HA 0.445 4.788 4.340 0.004 0.000 0.283 77 R C -1.436 174.862 176.300 -0.003 0.000 1.120 77 R CA -0.912 55.208 56.100 0.033 0.000 0.958 77 R CB 1.444 31.734 30.300 -0.017 0.000 1.215 77 R HN 0.693 nan 8.270 nan 0.000 0.427 78 M N 5.309 124.906 119.600 -0.005 0.000 2.146 78 M HA 0.346 4.829 4.480 0.004 0.000 0.357 78 M C -1.375 174.916 176.300 -0.015 0.000 1.261 78 M CA -0.005 55.278 55.300 -0.029 0.000 1.106 78 M CB 0.725 33.327 32.600 0.003 0.000 1.612 78 M HN 0.510 nan 8.290 nan 0.000 0.470 79 L N 5.464 126.662 121.223 -0.042 0.000 2.357 79 L HA 0.434 4.776 4.340 0.004 0.000 0.273 79 L C 0.163 176.998 176.870 -0.057 0.000 1.080 79 L CA -0.852 53.957 54.840 -0.052 0.000 0.803 79 L CB 0.740 42.753 42.059 -0.076 0.000 1.174 79 L HN 0.853 nan 8.230 nan 0.000 0.443 80 N N 1.557 120.212 118.700 -0.076 0.000 2.663 80 N HA -0.180 4.563 4.740 0.004 0.000 0.263 80 N C 0.619 175.989 175.510 -0.233 0.000 1.109 80 N CA 0.546 53.516 53.050 -0.134 0.000 0.701 80 N CB -0.725 37.673 38.487 -0.149 0.000 0.879 80 N HN 0.617 nan 8.380 nan 0.000 0.550 81 R N 0.148 120.585 120.500 -0.105 0.000 2.075 81 R HA 0.132 4.474 4.340 0.004 0.000 0.226 81 R C 1.689 177.961 176.300 -0.047 0.000 1.114 81 R CA 1.486 57.573 56.100 -0.021 0.000 0.972 81 R CB 0.068 30.403 30.300 0.057 0.000 0.869 81 R HN 0.296 nan 8.270 nan 0.000 0.437 82 S N 0.578 116.246 115.700 -0.053 0.000 2.453 82 S HA 0.004 4.477 4.470 0.004 0.000 0.231 82 S C 0.424 174.991 174.600 -0.055 0.000 1.005 82 S CA 0.738 58.924 58.200 -0.024 0.000 0.949 82 S CB 0.070 63.263 63.200 -0.013 0.000 0.774 82 S HN 0.163 nan 8.310 nan 0.000 0.510 83 K N 1.336 121.650 120.400 -0.144 0.000 2.318 83 K HA 0.419 4.742 4.320 0.004 0.000 0.243 83 K C 0.860 177.349 176.600 -0.186 0.000 1.047 83 K CA -0.272 55.928 56.287 -0.144 0.000 0.937 83 K CB -0.366 32.041 32.500 -0.153 0.000 1.225 83 K HN 0.179 nan 8.250 nan 0.000 0.506 84 G N 0.315 109.054 108.800 -0.102 0.000 2.580 84 G HA2 0.212 4.175 3.960 0.004 0.000 0.278 84 G HA3 0.212 4.175 3.960 0.004 0.000 0.278 84 G C -1.759 173.150 174.900 0.015 0.000 1.212 84 G CA -1.243 43.851 45.100 -0.009 0.000 0.939 84 G HN 0.185 nan 8.290 nan 0.000 0.513 85 P HA -0.209 nan 4.420 nan 0.000 0.218 85 P C 1.846 179.167 177.300 0.034 0.000 1.150 85 P CA 2.227 65.393 63.100 0.110 0.000 0.841 85 P CB 0.204 31.765 31.700 -0.233 0.000 0.784 86 A N -2.067 120.714 122.820 -0.065 0.000 2.016 86 A HA -0.056 4.266 4.320 0.004 0.000 0.217 86 A C 1.981 179.588 177.584 0.038 0.000 1.162 86 A CA 1.227 53.258 52.037 -0.009 0.000 0.662 86 A CB -0.871 18.103 19.000 -0.043 0.000 0.812 86 A HN 0.053 nan 8.150 nan 0.000 0.450 87 M N -0.712 118.879 119.600 -0.014 0.000 2.501 87 M HA 0.109 4.592 4.480 0.004 0.000 0.261 87 M C -0.060 176.206 176.300 -0.058 0.000 1.129 87 M CA 0.289 55.560 55.300 -0.049 0.000 1.126 87 M CB -1.120 31.411 32.600 -0.116 0.000 1.359 87 M HN 0.417 nan 8.290 nan 0.000 0.471 88 H N 0.943 120.029 119.070 0.027 0.000 3.145 88 H HA 0.080 4.638 4.556 0.004 0.000 0.288 88 H C -0.217 175.130 175.328 0.032 0.000 0.969 88 H CA 0.579 56.655 56.048 0.047 0.000 1.444 88 H CB 0.219 30.053 29.762 0.119 0.000 1.500 88 H HN 0.027 nan 8.280 nan 0.000 0.552 89 S N 6.505 122.221 115.700 0.027 0.000 2.756 89 S HA 0.231 4.703 4.470 0.004 0.000 0.303 89 S C -2.641 171.850 174.600 -0.181 0.000 1.135 89 S CA -1.411 56.737 58.200 -0.086 0.000 1.066 89 S CB 1.650 64.808 63.200 -0.070 0.000 1.008 89 S HN 0.476 nan 8.310 nan 0.000 0.482 90 P HA 0.385 nan 4.420 nan 0.000 0.276 90 P C -0.684 176.493 177.300 -0.205 0.000 1.230 90 P CA -0.500 62.313 63.100 -0.479 0.000 0.776 90 P CB 0.699 31.779 31.700 -1.034 0.000 0.888 91 R N 1.914 122.409 120.500 -0.009 0.000 2.536 91 R HA 0.694 5.037 4.340 0.004 0.000 0.269 91 R C -2.061 174.255 176.300 0.027 0.000 1.113 91 R CA -0.588 55.584 56.100 0.119 0.000 0.948 91 R CB 1.437 31.709 30.300 -0.046 0.000 1.237 91 R HN 0.534 nan 8.270 nan 0.000 0.441 92 A N 3.213 125.959 122.820 -0.123 0.000 2.475 92 A HA 0.511 4.834 4.320 0.004 0.000 0.301 92 A C -1.259 176.079 177.584 -0.410 0.000 1.059 92 A CA -0.835 50.912 52.037 -0.483 0.000 0.710 92 A CB 2.049 20.332 19.000 -1.195 0.000 1.288 92 A HN 0.591 nan 8.150 nan 0.000 0.408 93 Q N 0.527 120.112 119.800 -0.359 0.000 2.314 93 Q HA 0.517 4.859 4.340 0.004 0.000 0.258 93 Q C 0.100 175.935 176.000 -0.276 0.000 0.954 93 Q CA 0.166 55.809 55.803 -0.266 0.000 0.890 93 Q CB 1.537 30.171 28.738 -0.173 0.000 1.210 93 Q HN 0.849 nan 8.270 nan 0.000 0.410 94 A N 2.211 124.890 122.820 -0.236 0.000 2.320 94 A HA 0.248 4.571 4.320 0.004 0.000 0.334 94 A C -0.329 177.193 177.584 -0.103 0.000 1.147 94 A CA -0.654 51.276 52.037 -0.177 0.000 0.820 94 A CB 0.775 19.637 19.000 -0.229 0.000 1.218 94 A HN 0.683 nan 8.150 nan 0.000 0.482 95 D N 1.654 122.032 120.400 -0.038 0.000 2.374 95 D HA 0.095 4.737 4.640 0.004 0.000 0.240 95 D C 0.779 177.087 176.300 0.013 0.000 1.229 95 D CA -0.088 53.908 54.000 -0.006 0.000 0.895 95 D CB 0.586 41.396 40.800 0.016 0.000 1.046 95 D HN 0.490 nan 8.370 nan 0.000 0.498 96 K N 1.456 121.843 120.400 -0.021 0.000 2.034 96 K HA -0.198 4.125 4.320 0.004 0.000 0.214 96 K C 1.868 178.491 176.600 0.038 0.000 1.051 96 K CA 1.701 57.969 56.287 -0.031 0.000 0.931 96 K CB -0.396 32.082 32.500 -0.037 0.000 0.715 96 K HN 0.449 nan 8.250 nan 0.000 0.446 97 T N -0.250 114.329 114.554 0.040 0.000 2.904 97 T HA -0.148 4.205 4.350 0.004 0.000 0.267 97 T C 1.980 176.720 174.700 0.066 0.000 1.059 97 T CA 1.257 63.387 62.100 0.050 0.000 1.137 97 T CB 0.091 68.982 68.868 0.038 0.000 0.879 97 T HN 0.056 nan 8.240 nan 0.000 0.467 98 Q N -0.730 119.112 119.800 0.069 0.000 2.245 98 Q HA 0.099 4.441 4.340 0.004 0.000 0.201 98 Q C 1.722 177.778 176.000 0.094 0.000 0.955 98 Q CA 1.166 57.011 55.803 0.069 0.000 0.870 98 Q CB -0.558 28.211 28.738 0.051 0.000 0.945 98 Q HN 0.831 nan 8.270 nan 0.000 0.461 99 Y N -0.375 119.910 120.300 -0.025 0.000 2.133 99 Y HA -0.227 4.325 4.550 0.004 0.000 0.287 99 Y C 2.541 178.448 175.900 0.012 0.000 1.134 99 Y CA 1.880 59.955 58.100 -0.042 0.000 1.133 99 Y CB -0.507 37.886 38.460 -0.112 0.000 0.987 99 Y HN 0.199 nan 8.280 nan 0.000 0.502 100 S N -0.103 115.745 115.700 0.248 0.000 2.370 100 S HA -0.195 4.277 4.470 0.004 0.000 0.226 100 S C 1.926 176.550 174.600 0.041 0.000 1.033 100 S CA 1.632 59.913 58.200 0.136 0.000 1.011 100 S CB -0.634 62.622 63.200 0.093 0.000 0.852 100 S HN 0.407 nan 8.310 nan 0.000 0.457 101 L N 0.495 121.747 121.223 0.047 0.000 2.046 101 L HA 0.058 4.401 4.340 0.004 0.000 0.208 101 L C 2.223 179.099 176.870 0.011 0.000 1.077 101 L CA 1.927 56.782 54.840 0.025 0.000 0.747 101 L CB -1.438 40.642 42.059 0.035 0.000 0.896 101 L HN 0.555 nan 8.230 nan 0.000 0.432 102 Y N -1.076 119.156 120.300 -0.114 0.000 2.128 102 Y HA -0.312 4.237 4.550 -0.001 0.000 0.284 102 Y C 2.522 178.324 175.900 -0.163 0.000 1.154 102 Y CA 1.709 59.720 58.100 -0.148 0.000 1.149 102 Y CB -0.026 38.300 38.460 -0.223 0.000 0.976 102 Y HN 0.070 nan 8.280 nan 0.000 0.505 103 M N 0.244 119.835 119.600 -0.015 0.000 2.213 103 M HA -0.194 4.289 4.480 0.004 0.000 0.263 103 M C 2.313 178.551 176.300 -0.105 0.000 1.062 103 M CA 1.639 56.894 55.300 -0.074 0.000 1.105 103 M CB -1.155 31.388 32.600 -0.096 0.000 1.385 103 M HN 0.364 nan 8.290 nan 0.000 0.417 104 R N -0.058 120.391 120.500 -0.086 0.000 2.066 104 R HA -0.116 4.226 4.340 0.004 0.000 0.232 104 R C 2.350 178.597 176.300 -0.088 0.000 1.131 104 R CA 1.354 57.410 56.100 -0.075 0.000 0.955 104 R CB -0.109 30.160 30.300 -0.052 0.000 0.851 104 R HN 0.209 nan 8.270 nan 0.000 0.432 105 R N 0.233 120.670 120.500 -0.106 0.000 2.091 105 R HA -0.127 4.216 4.340 0.004 0.000 0.238 105 R C 2.138 178.438 176.300 -0.000 0.000 1.136 105 R CA 1.730 57.802 56.100 -0.047 0.000 0.959 105 R CB -0.146 30.076 30.300 -0.131 0.000 0.856 105 R HN 0.244 nan 8.270 nan 0.000 0.437 106 I N -0.056 120.397 120.570 -0.195 0.000 2.202 106 I HA -0.190 3.983 4.170 0.004 0.000 0.242 106 I C 2.339 178.422 176.117 -0.057 0.000 1.091 106 I CA 1.075 62.280 61.300 -0.159 0.000 1.368 106 I CB -1.145 36.705 38.000 -0.250 0.000 1.058 106 I HN 0.026 nan 8.210 nan 0.000 0.410 107 V N 1.077 120.949 119.914 -0.070 0.000 2.392 107 V HA -0.243 3.879 4.120 0.004 0.000 0.249 107 V C 2.362 178.418 176.094 -0.063 0.000 1.059 107 V CA 1.672 63.939 62.300 -0.054 0.000 1.051 107 V CB -0.664 31.125 31.823 -0.056 0.000 0.658 107 V HN 0.448 nan 8.190 nan 0.000 0.455 108 E N -1.138 119.007 120.200 -0.093 0.000 2.358 108 E HA -0.118 4.234 4.350 0.004 0.000 0.195 108 E C 1.524 177.964 176.600 -0.267 0.000 1.010 108 E CA 0.583 56.877 56.400 -0.176 0.000 0.856 108 E CB -0.020 29.544 29.700 -0.227 0.000 0.795 108 E HN 0.749 nan 8.360 nan 0.000 0.504 109 H N -0.348 118.674 119.070 -0.079 0.000 2.529 109 H HA 0.152 4.711 4.556 0.005 0.000 0.277 109 H C -0.225 175.066 175.328 -0.061 0.000 1.004 109 H CA 0.019 56.024 56.048 -0.071 0.000 1.167 109 H CB 0.437 30.148 29.762 -0.086 0.000 1.445 109 H HN -0.108 nan 8.280 nan 0.000 0.554 110 E N 1.073 121.279 120.200 0.010 0.000 2.081 110 E HA 0.150 4.503 4.350 0.004 0.000 0.276 110 E C -1.781 174.799 176.600 -0.033 0.000 0.950 110 E CA -2.393 54.001 56.400 -0.009 0.000 0.776 110 E CB 1.096 30.786 29.700 -0.016 0.000 1.094 110 E HN 0.072 nan 8.360 nan 0.000 0.402 111 P HA -0.116 nan 4.420 nan 0.000 0.218 111 P C 0.444 177.686 177.300 -0.096 0.000 1.148 111 P CA 0.858 63.923 63.100 -0.057 0.000 0.822 111 P CB 0.350 32.019 31.700 -0.052 0.000 0.784 112 N N -0.457 118.180 118.700 -0.105 0.000 2.396 112 N HA -0.025 4.717 4.740 0.004 0.000 0.180 112 N C 0.645 176.099 175.510 -0.093 0.000 1.028 112 N CA 0.591 53.539 53.050 -0.169 0.000 0.893 112 N CB -0.346 38.072 38.487 -0.115 0.000 0.967 112 N HN 0.253 nan 8.380 nan 0.000 0.440 113 I N 2.052 122.606 120.570 -0.027 0.000 2.363 113 I HA 0.057 4.229 4.170 0.004 0.000 0.292 113 I C -0.352 175.794 176.117 0.049 0.000 1.075 113 I CA -0.404 60.909 61.300 0.021 0.000 1.333 113 I CB 0.410 38.403 38.000 -0.011 0.000 1.415 113 I HN -0.244 nan 8.210 nan 0.000 0.502 114 D N 6.982 127.464 120.400 0.135 0.000 2.253 114 D HA 0.586 5.229 4.640 0.004 0.000 0.249 114 D C -0.230 176.079 176.300 0.015 0.000 1.049 114 D CA -0.177 53.899 54.000 0.126 0.000 0.929 114 D CB 1.519 42.494 40.800 0.291 0.000 1.176 114 D HN 0.286 nan 8.370 nan 0.000 0.437 115 L N 1.196 122.417 121.223 -0.003 0.000 2.342 115 L HA 0.639 4.982 4.340 0.004 0.000 0.271 115 L C -0.776 176.069 176.870 -0.042 0.000 1.008 115 L CA -1.031 53.787 54.840 -0.038 0.000 0.818 115 L CB 1.605 43.641 42.059 -0.039 0.000 1.296 115 L HN 0.139 nan 8.230 nan 0.000 0.427 116 L N 2.268 123.454 121.223 -0.061 0.000 2.464 116 L HA 0.375 4.718 4.340 0.004 0.000 0.266 116 L C -0.838 175.998 176.870 -0.056 0.000 0.965 116 L CA -0.235 54.574 54.840 -0.053 0.000 0.833 116 L CB 2.299 44.321 42.059 -0.062 0.000 1.296 116 L HN 0.636 nan 8.230 nan 0.000 0.405 117 Q N 3.978 123.749 119.800 -0.048 0.000 2.456 117 Q HA 0.389 4.732 4.340 0.004 0.000 0.234 117 Q C -1.458 174.511 176.000 -0.051 0.000 1.061 117 Q CA -0.112 55.660 55.803 -0.053 0.000 0.896 117 Q CB 0.650 29.360 28.738 -0.048 0.000 1.233 117 Q HN 0.655 nan 8.270 nan 0.000 0.506 118 D N 1.206 121.570 120.400 -0.060 0.000 2.665 118 D HA 0.401 5.043 4.640 0.004 0.000 0.287 118 D C -1.367 174.892 176.300 -0.068 0.000 1.266 118 D CA -0.288 53.679 54.000 -0.055 0.000 0.830 118 D CB 2.242 43.017 40.800 -0.041 0.000 1.356 118 D HN 0.386 nan 8.370 nan 0.000 0.437 119 T N 0.303 114.820 114.554 -0.062 0.000 2.823 119 T HA 0.482 4.835 4.350 0.004 0.000 0.279 119 T C -0.278 174.395 174.700 -0.045 0.000 0.998 119 T CA -0.541 61.518 62.100 -0.069 0.000 0.994 119 T CB 1.521 70.343 68.868 -0.077 0.000 0.960 119 T HN 0.118 nan 8.240 nan 0.000 0.448 120 V N 4.620 124.509 119.914 -0.042 0.000 2.432 120 V HA 0.246 4.368 4.120 0.004 0.000 0.271 120 V C 1.066 177.151 176.094 -0.015 0.000 1.046 120 V CA -0.238 62.049 62.300 -0.021 0.000 0.945 120 V CB 0.413 32.226 31.823 -0.016 0.000 0.992 120 V HN 0.899 nan 8.190 nan 0.000 0.471 121 I N 1.847 122.414 120.570 -0.006 0.000 4.025 121 I HA 0.744 4.917 4.170 0.004 0.000 0.336 121 I C 0.719 176.840 176.117 0.007 0.000 1.390 121 I CA -0.033 61.266 61.300 -0.002 0.000 1.099 121 I CB 0.456 38.455 38.000 -0.001 0.000 1.049 121 I HN 0.599 nan 8.210 nan 0.000 0.394 122 G N 0.474 109.283 108.800 0.015 0.000 2.473 122 G HA2 0.445 4.407 3.960 0.004 0.000 0.298 122 G HA3 0.445 4.407 3.960 0.004 0.000 0.298 122 G C -2.042 172.888 174.900 0.050 0.000 1.575 122 G CA -0.493 44.623 45.100 0.027 0.000 0.846 122 G HN -0.050 nan 8.290 nan 0.000 0.585 123 V N 0.905 120.861 119.914 0.070 0.000 2.487 123 V HA 0.816 4.938 4.120 0.004 0.000 0.298 123 V C -0.035 176.121 176.094 0.104 0.000 1.028 123 V CA -0.433 61.946 62.300 0.131 0.000 0.860 123 V CB 1.600 33.540 31.823 0.194 0.000 0.991 123 V HN 0.939 nan 8.190 nan 0.000 0.427 124 S N 4.727 120.458 115.700 0.053 0.000 2.578 124 S HA 0.915 5.388 4.470 0.004 0.000 0.283 124 S C -0.243 174.332 174.600 -0.042 0.000 1.195 124 S CA 0.127 58.326 58.200 -0.002 0.000 1.050 124 S CB 1.369 64.543 63.200 -0.043 0.000 1.012 124 S HN 1.500 nan 8.310 nan 0.000 0.511 125 A N 3.658 126.471 122.820 -0.012 0.000 2.488 125 A HA 0.660 4.983 4.320 0.004 0.000 0.298 125 A C -1.374 176.204 177.584 -0.010 0.000 1.044 125 A CA -0.918 51.113 52.037 -0.011 0.000 0.693 125 A CB 1.008 20.056 19.000 0.081 0.000 1.272 125 A HN 0.746 nan 8.150 nan 0.000 0.402 126 N N 0.946 119.630 118.700 -0.026 0.000 2.444 126 N HA 0.511 5.253 4.740 0.004 0.000 0.262 126 N C -0.136 175.373 175.510 -0.001 0.000 0.974 126 N CA 0.177 53.217 53.050 -0.016 0.000 0.933 126 N CB 1.398 39.866 38.487 -0.031 0.000 1.137 126 N HN 0.618 nan 8.380 nan 0.000 0.498 127 S N 1.746 117.448 115.700 0.004 0.000 3.559 127 S HA -0.160 4.313 4.470 0.004 0.000 0.369 127 S C 1.194 175.801 174.600 0.011 0.000 0.987 127 S CA 0.960 59.164 58.200 0.006 0.000 1.187 127 S CB -1.618 61.584 63.200 0.003 0.000 0.914 127 S HN 1.160 nan 8.310 nan 0.000 0.480 128 G N -0.169 108.642 108.800 0.018 0.000 2.143 128 G HA2 -0.312 3.651 3.960 0.004 0.000 0.249 128 G HA3 -0.312 3.651 3.960 0.004 0.000 0.249 128 G C -0.228 174.694 174.900 0.037 0.000 0.981 128 G CA 0.784 45.897 45.100 0.021 0.000 0.665 128 G HN 0.789 nan 8.290 nan 0.000 0.528 129 K N -0.398 120.031 120.400 0.049 0.000 2.371 129 K HA 0.591 4.914 4.320 0.004 0.000 0.251 129 K C -0.175 176.493 176.600 0.113 0.000 0.934 129 K CA -1.269 55.068 56.287 0.082 0.000 0.798 129 K CB 1.347 33.884 32.500 0.061 0.000 1.204 129 K HN 0.106 nan 8.250 nan 0.000 0.427 130 F N 2.916 122.889 119.950 0.037 0.000 2.602 130 F HA -0.089 4.440 4.527 0.005 0.000 0.367 130 F C 0.927 176.752 175.800 0.041 0.000 1.126 130 F CA 1.328 59.357 58.000 0.049 0.000 1.321 130 F CB 0.828 39.869 39.000 0.069 0.000 1.094 130 F HN 0.683 nan 8.300 nan 0.000 0.594 131 S N 1.881 116.984 115.700 -0.995 0.000 3.313 131 S HA 0.327 4.800 4.470 0.004 0.000 0.247 131 S C 0.202 174.185 174.600 -1.028 0.000 1.058 131 S CA 0.368 58.103 58.200 -0.774 0.000 0.794 131 S CB -0.188 62.805 63.200 -0.344 0.000 0.842 131 S HN 0.879 nan 8.310 nan 0.000 0.526 132 S N -0.401 114.755 115.700 -0.907 0.000 2.752 132 S HA 0.823 5.295 4.470 0.004 0.000 0.284 132 S C -1.604 172.941 174.600 -0.091 0.000 1.189 132 S CA -0.650 57.302 58.200 -0.413 0.000 0.835 132 S CB 1.608 64.698 63.200 -0.184 0.000 1.192 132 S HN 0.606 nan 8.310 nan 0.000 0.506 133 V N 1.126 121.074 119.914 0.057 0.000 2.733 133 V HA 0.571 4.694 4.120 0.004 0.000 0.306 133 V C -0.807 175.318 176.094 0.052 0.000 1.084 133 V CA -0.419 61.953 62.300 0.120 0.000 0.905 133 V CB 2.206 34.143 31.823 0.189 0.000 1.010 133 V HN 1.057 nan 8.190 nan 0.000 0.424 134 T N 4.764 119.342 114.554 0.039 0.000 2.744 134 T HA 0.505 4.857 4.350 0.004 0.000 0.291 134 T C 0.027 174.735 174.700 0.012 0.000 0.957 134 T CA -0.267 61.845 62.100 0.020 0.000 1.002 134 T CB 1.204 70.081 68.868 0.015 0.000 0.919 134 T HN 0.679 nan 8.240 nan 0.000 0.468 135 V N 2.519 122.436 119.914 0.005 0.000 3.134 135 V HA 0.495 4.618 4.120 0.004 0.000 0.313 135 V C 1.841 177.932 176.094 -0.006 0.000 1.069 135 V CA -0.941 61.356 62.300 -0.005 0.000 1.048 135 V CB 0.802 32.619 31.823 -0.010 0.000 1.119 135 V HN 0.819 nan 8.190 nan 0.000 0.461 136 R N 0.769 121.262 120.500 -0.013 0.000 2.103 136 R HA -0.166 4.177 4.340 0.004 0.000 0.242 136 R C 2.367 178.662 176.300 -0.007 0.000 1.142 136 R CA 2.249 58.342 56.100 -0.011 0.000 0.960 136 R CB -0.547 29.743 30.300 -0.018 0.000 0.858 136 R HN 1.065 nan 8.270 nan 0.000 0.439 137 S N -1.273 114.422 115.700 -0.007 0.000 2.440 137 S HA -0.037 4.436 4.470 0.004 0.000 0.238 137 S C 1.413 176.012 174.600 -0.001 0.000 1.010 137 S CA 1.151 59.348 58.200 -0.004 0.000 0.972 137 S CB -0.063 63.135 63.200 -0.004 0.000 0.774 137 S HN 0.662 nan 8.310 nan 0.000 0.501 138 G N 0.619 109.418 108.800 -0.000 0.000 2.144 138 G HA2 -0.225 3.737 3.960 0.004 0.000 0.218 138 G HA3 -0.225 3.737 3.960 0.004 0.000 0.218 138 G C 0.110 175.011 174.900 0.002 0.000 0.988 138 G CA -0.045 45.056 45.100 0.002 0.000 0.659 138 G HN 0.592 nan 8.290 nan 0.000 0.522 139 R N 0.427 120.928 120.500 0.002 0.000 2.641 139 R HA 0.551 4.894 4.340 0.004 0.000 0.269 139 R C 0.581 176.884 176.300 0.005 0.000 1.074 139 R CA 0.609 56.712 56.100 0.004 0.000 1.133 139 R CB 0.651 30.955 30.300 0.006 0.000 1.029 139 R HN 0.549 nan 8.270 nan 0.000 0.488 140 A N 4.016 126.838 122.820 0.003 0.000 2.292 140 A HA 0.476 4.799 4.320 0.004 0.000 0.319 140 A C -0.332 177.258 177.584 0.010 0.000 1.206 140 A CA -0.614 51.423 52.037 0.000 0.000 0.835 140 A CB 0.565 19.556 19.000 -0.015 0.000 1.164 140 A HN 0.650 nan 8.150 nan 0.000 0.505 141 I N 2.159 122.742 120.570 0.023 0.000 2.355 141 I HA 0.232 4.404 4.170 0.004 0.000 0.288 141 I C 0.244 176.396 176.117 0.059 0.000 0.999 141 I CA -0.122 61.208 61.300 0.049 0.000 1.163 141 I CB 1.711 39.739 38.000 0.046 0.000 1.316 141 I HN 0.737 nan 8.210 nan 0.000 0.454 142 Q N 4.717 124.551 119.800 0.056 0.000 2.261 142 Q HA 0.761 5.103 4.340 0.004 0.000 0.252 142 Q C -0.840 175.223 176.000 0.106 0.000 0.915 142 Q CA -0.421 55.392 55.803 0.016 0.000 0.915 142 Q CB 1.747 30.474 28.738 -0.018 0.000 1.204 142 Q HN 0.805 nan 8.270 nan 0.000 0.421 143 A N 2.633 125.525 122.820 0.120 0.000 2.606 143 A HA 0.327 4.649 4.320 0.004 0.000 0.293 143 A C -0.483 177.298 177.584 0.330 0.000 1.082 143 A CA -0.710 51.496 52.037 0.283 0.000 0.685 143 A CB 1.332 20.587 19.000 0.425 0.000 1.284 143 A HN 0.820 nan 8.150 nan 0.000 0.408 144 K N 0.018 120.579 120.400 0.268 0.000 2.228 144 K HA 0.358 4.680 4.320 0.004 0.000 0.202 144 K C 0.541 177.357 176.600 0.360 0.000 1.051 144 K CA 1.433 57.864 56.287 0.240 0.000 0.960 144 K CB 0.226 32.802 32.500 0.127 0.000 0.743 144 K HN 0.947 nan 8.250 nan 0.000 0.458 145 A N 0.581 123.578 122.820 0.295 0.000 2.577 145 A HA 0.665 4.987 4.320 0.004 0.000 0.297 145 A C -1.818 175.626 177.584 -0.233 0.000 1.060 145 A CA -0.680 51.402 52.037 0.075 0.000 0.697 145 A CB 1.668 20.744 19.000 0.127 0.000 1.281 145 A HN 0.075 nan 8.150 nan 0.000 0.402 146 A N 2.310 124.788 122.820 -0.570 0.000 2.374 146 A HA 0.733 5.056 4.320 0.004 0.000 0.305 146 A C -0.694 176.792 177.584 -0.163 0.000 1.053 146 A CA -0.449 51.286 52.037 -0.503 0.000 0.726 146 A CB 0.677 19.108 19.000 -0.948 0.000 1.229 146 A HN 0.835 nan 8.150 nan 0.000 0.431 147 I N 2.758 123.276 120.570 -0.087 0.000 2.321 147 I HA 0.309 4.481 4.170 0.004 0.000 0.291 147 I C -0.955 175.169 176.117 0.011 0.000 0.998 147 I CA -0.492 60.824 61.300 0.026 0.000 1.227 147 I CB 1.040 39.026 38.000 -0.022 0.000 1.368 147 I HN 0.412 nan 8.210 nan 0.000 0.466 148 L N 6.035 127.291 121.223 0.054 0.000 2.272 148 L HA 0.547 4.890 4.340 0.004 0.000 0.289 148 L C 0.348 177.186 176.870 -0.054 0.000 1.032 148 L CA 0.081 54.883 54.840 -0.063 0.000 0.810 148 L CB 1.468 43.378 42.059 -0.247 0.000 1.205 148 L HN 0.774 nan 8.230 nan 0.000 0.422 149 A N 3.001 125.806 122.820 -0.026 0.000 3.082 149 A HA 0.380 4.703 4.320 0.004 0.000 0.328 149 A C 0.405 178.013 177.584 0.041 0.000 1.089 149 A CA -0.381 51.668 52.037 0.019 0.000 0.802 149 A CB 0.052 19.078 19.000 0.044 0.000 1.138 149 A HN 0.805 nan 8.150 nan 0.000 0.474 150 C N 0.372 119.694 119.300 0.038 0.000 2.791 150 C HA 0.480 4.943 4.460 0.004 0.000 0.270 150 C C 2.042 177.129 174.990 0.162 0.000 1.257 150 C CA 0.529 59.610 59.018 0.105 0.000 1.699 150 C CB -1.350 26.433 27.740 0.073 0.000 1.904 150 C HN 1.324 nan 8.230 nan 0.000 0.603 151 G N 2.110 110.950 108.800 0.067 0.000 2.634 151 G HA2 -0.384 3.579 3.960 0.004 0.000 0.309 151 G HA3 -0.384 3.579 3.960 0.004 0.000 0.309 151 G C 0.843 175.607 174.900 -0.228 0.000 1.265 151 G CA 1.243 46.308 45.100 -0.058 0.000 0.998 151 G HN 0.752 nan 8.290 nan 0.000 0.551 152 T N -2.311 111.950 114.554 -0.488 0.000 3.206 152 T HA 0.509 4.862 4.350 0.004 0.000 0.253 152 T C 1.541 176.042 174.700 -0.331 0.000 1.042 152 T CA 1.042 62.751 62.100 -0.652 0.000 0.931 152 T CB -0.073 68.334 68.868 -0.768 0.000 1.029 152 T HN 0.365 nan 8.240 nan 0.000 0.564 153 F N 0.708 120.644 119.950 -0.024 0.000 2.615 153 F HA 0.397 4.926 4.527 0.003 0.000 0.297 153 F C 0.762 176.582 175.800 0.034 0.000 1.124 153 F CA -0.717 57.292 58.000 0.015 0.000 1.451 153 F CB -0.160 38.840 39.000 0.001 0.000 1.103 153 F HN 0.182 nan 8.300 nan 0.000 0.569 154 L N 2.047 123.389 121.223 0.199 0.000 2.515 154 L HA 0.071 4.413 4.340 0.004 0.000 0.281 154 L C 0.440 177.367 176.870 0.095 0.000 1.131 154 L CA -0.165 54.742 54.840 0.113 0.000 0.905 154 L CB -1.406 40.681 42.059 0.047 0.000 1.246 154 L HN 0.199 nan 8.230 nan 0.000 0.463 155 N N 2.248 120.999 118.700 0.085 0.000 2.705 155 N HA -0.168 4.574 4.740 0.004 0.000 0.255 155 N C 0.564 176.145 175.510 0.119 0.000 1.008 155 N CA 0.981 54.081 53.050 0.083 0.000 0.742 155 N CB -0.392 38.124 38.487 0.049 0.000 0.906 155 N HN 0.824 nan 8.380 nan 0.000 0.541 156 G N -0.150 108.737 108.800 0.143 0.000 2.527 156 G HA2 0.467 4.429 3.960 0.004 0.000 0.248 156 G HA3 0.467 4.429 3.960 0.004 0.000 0.248 156 G C -0.092 174.879 174.900 0.120 0.000 1.231 156 G CA -0.251 44.939 45.100 0.150 0.000 0.838 156 G HN 0.269 nan 8.290 nan 0.000 0.570 157 L N 1.774 123.069 121.223 0.121 0.000 2.470 157 L HA 0.424 4.766 4.340 0.004 0.000 0.268 157 L C -0.749 176.128 176.870 0.012 0.000 0.964 157 L CA -0.693 54.172 54.840 0.042 0.000 0.839 157 L CB 1.983 44.051 42.059 0.016 0.000 1.276 157 L HN 0.329 nan 8.230 nan 0.000 0.403 158 I N 3.959 124.484 120.570 -0.075 0.000 2.342 158 I HA 0.286 4.459 4.170 0.004 0.000 0.291 158 I C -0.193 175.798 176.117 -0.211 0.000 1.010 158 I CA -0.339 60.918 61.300 -0.072 0.000 1.308 158 I CB 0.925 38.855 38.000 -0.116 0.000 1.400 158 I HN 0.514 nan 8.210 nan 0.000 0.488 159 H N 7.302 126.407 119.070 0.058 0.000 2.685 159 H HA 0.475 5.034 4.556 0.004 0.000 0.307 159 H C -0.508 174.870 175.328 0.083 0.000 1.017 159 H CA -0.388 55.677 56.048 0.029 0.000 1.237 159 H CB 1.925 31.716 29.762 0.048 0.000 1.409 159 H HN 0.420 nan 8.280 nan 0.000 0.488 160 I N 2.895 123.524 120.570 0.098 0.000 2.405 160 I HA 0.234 4.407 4.170 0.004 0.000 0.280 160 I C 1.190 177.367 176.117 0.099 0.000 1.027 160 I CA -0.214 61.175 61.300 0.148 0.000 1.161 160 I CB 1.253 39.370 38.000 0.196 0.000 1.300 160 I HN 0.850 nan 8.210 nan 0.000 0.463 161 G N 5.602 114.472 108.800 0.116 0.000 2.620 161 G HA2 -0.397 3.565 3.960 0.004 0.000 0.315 161 G HA3 -0.397 3.565 3.960 0.004 0.000 0.315 161 G C 0.551 175.510 174.900 0.097 0.000 1.179 161 G CA 0.929 46.085 45.100 0.093 0.000 0.971 161 G HN 0.484 nan 8.290 nan 0.000 0.544 162 M N 2.302 121.946 119.600 0.072 0.000 2.516 162 M HA 0.300 4.783 4.480 0.004 0.000 0.259 162 M C 0.442 176.789 176.300 0.080 0.000 1.146 162 M CA 1.370 56.719 55.300 0.081 0.000 1.122 162 M CB -0.076 32.561 32.600 0.062 0.000 1.341 162 M HN 0.620 nan 8.290 nan 0.000 0.478 163 D N 0.198 120.583 120.400 -0.024 0.000 2.229 163 D HA 0.372 5.015 4.640 0.004 0.000 0.249 163 D C -0.426 175.582 176.300 -0.487 0.000 1.027 163 D CA -0.459 53.412 54.000 -0.216 0.000 0.923 163 D CB 0.380 41.048 40.800 -0.221 0.000 1.174 163 D HN 0.318 nan 8.370 nan 0.000 0.443 164 H N -0.936 117.687 119.070 -0.744 0.000 2.856 164 H HA 0.488 5.047 4.556 0.004 0.000 0.355 164 H C -1.604 173.262 175.328 -0.769 0.000 1.079 164 H CA -1.037 54.483 56.048 -0.880 0.000 1.240 164 H CB 0.203 29.560 29.762 -0.675 0.000 1.701 164 H HN 0.390 nan 8.280 nan 0.000 0.527 165 F N 1.054 120.941 119.950 -0.106 0.000 2.538 165 F HA 0.497 5.027 4.527 0.004 0.000 0.325 165 F C -2.311 173.455 175.800 -0.057 0.000 1.066 165 F CA -2.638 55.303 58.000 -0.099 0.000 0.946 165 F CB 1.431 40.372 39.000 -0.099 0.000 1.199 165 F HN 0.261 nan 8.300 nan 0.000 0.473 166 P HA 0.379 nan 4.420 nan 0.000 0.269 166 P C -0.461 176.899 177.300 0.099 0.000 1.215 166 P CA -0.102 63.059 63.100 0.103 0.000 0.780 166 P CB 0.740 32.490 31.700 0.084 0.000 0.898 167 G N 0.025 108.882 108.800 0.095 0.000 2.226 167 G HA2 0.365 4.327 3.960 0.004 0.000 0.257 167 G HA3 0.365 4.327 3.960 0.004 0.000 0.257 167 G C 0.369 175.344 174.900 0.125 0.000 1.732 167 G CA -0.132 45.027 45.100 0.097 0.000 0.914 167 G HN 0.576 nan 8.290 nan 0.000 0.742 168 G N 0.168 109.108 108.800 0.233 0.000 2.490 168 G HA2 0.165 4.127 3.960 0.004 0.000 0.211 168 G HA3 0.165 4.127 3.960 0.004 0.000 0.211 168 G C 1.326 176.056 174.900 -0.283 0.000 1.159 168 G CA 1.342 46.572 45.100 0.217 0.000 0.819 168 G HN 0.727 nan 8.290 nan 0.000 0.539 169 R N -1.006 119.411 120.500 -0.139 0.000 2.196 169 R HA 0.305 4.648 4.340 0.004 0.000 0.186 169 R C 0.569 176.922 176.300 0.087 0.000 1.163 169 R CA 0.521 56.511 56.100 -0.184 0.000 1.146 169 R CB 0.055 30.289 30.300 -0.111 0.000 1.113 169 R HN 0.268 nan 8.270 nan 0.000 0.513 170 S N -1.145 114.623 115.700 0.112 0.000 2.726 170 S HA 0.141 4.614 4.470 0.004 0.000 0.308 170 S C 0.894 175.470 174.600 -0.041 0.000 1.115 170 S CA -0.069 58.151 58.200 0.033 0.000 0.965 170 S CB 1.605 64.884 63.200 0.131 0.000 1.145 170 S HN 0.316 nan 8.310 nan 0.000 0.532 171 T N 1.233 115.700 114.554 -0.146 0.000 2.760 171 T HA -0.162 4.191 4.350 0.004 0.000 0.269 171 T C 1.582 176.268 174.700 -0.024 0.000 1.047 171 T CA 2.143 64.195 62.100 -0.080 0.000 1.139 171 T CB -0.770 68.018 68.868 -0.133 0.000 0.855 171 T HN 0.707 nan 8.240 nan 0.000 0.471 172 A N -0.051 122.772 122.820 0.004 0.000 2.216 172 A HA 0.206 4.528 4.320 0.004 0.000 0.214 172 A C 0.804 178.420 177.584 0.054 0.000 1.160 172 A CA 0.491 52.543 52.037 0.025 0.000 0.725 172 A CB -0.160 18.864 19.000 0.041 0.000 0.784 172 A HN 0.668 nan 8.150 nan 0.000 0.472 173 E N -0.111 120.147 120.200 0.097 0.000 2.199 173 E HA 0.463 4.816 4.350 0.004 0.000 0.269 173 E C -2.898 173.777 176.600 0.124 0.000 0.899 173 E CA -2.251 54.233 56.400 0.140 0.000 0.772 173 E CB 1.567 31.473 29.700 0.343 0.000 1.155 173 E HN 0.041 nan 8.360 nan 0.000 0.408 174 P HA 0.160 nan 4.420 nan 0.000 0.276 174 P C -2.493 174.864 177.300 0.094 0.000 1.230 174 P CA -1.324 61.808 63.100 0.053 0.000 0.776 174 P CB 0.114 31.815 31.700 0.001 0.000 0.888 175 P HA 0.092 nan 4.420 nan 0.000 0.276 175 P C -0.719 176.635 177.300 0.089 0.000 1.244 175 P CA -0.138 63.065 63.100 0.172 0.000 0.801 175 P CB 0.598 32.385 31.700 0.146 0.000 1.006 176 V N 2.353 122.326 119.914 0.098 0.000 2.546 176 V HA 0.127 4.249 4.120 0.004 0.000 0.284 176 V C 1.395 177.512 176.094 0.038 0.000 1.050 176 V CA 0.365 62.688 62.300 0.038 0.000 0.981 176 V CB 0.624 32.464 31.823 0.029 0.000 0.990 176 V HN 0.628 nan 8.190 nan 0.000 0.474 177 E N 2.914 123.125 120.200 0.018 0.000 2.367 177 E HA 0.125 4.478 4.350 0.004 0.000 0.204 177 E C 2.042 178.644 176.600 0.002 0.000 0.840 177 E CA 0.666 57.075 56.400 0.015 0.000 1.051 177 E CB 0.422 30.134 29.700 0.021 0.000 1.051 177 E HN 0.881 nan 8.360 nan 0.000 0.509 178 G N 2.023 110.824 108.800 0.001 0.000 2.433 178 G HA2 -0.253 3.709 3.960 0.004 0.000 0.216 178 G HA3 -0.253 3.709 3.960 0.004 0.000 0.216 178 G C 1.559 176.455 174.900 -0.006 0.000 1.186 178 G CA 0.607 45.708 45.100 0.001 0.000 0.779 178 G HN 0.105 nan 8.290 nan 0.000 0.543 179 L N 0.542 121.759 121.223 -0.009 0.000 2.042 179 L HA -0.033 4.309 4.340 0.004 0.000 0.210 179 L C 2.901 179.760 176.870 -0.018 0.000 1.076 179 L CA 2.504 57.338 54.840 -0.010 0.000 0.749 179 L CB -0.796 41.256 42.059 -0.012 0.000 0.893 179 L HN 0.222 nan 8.230 nan 0.000 0.432 180 T N -1.239 113.280 114.554 -0.057 0.000 2.821 180 T HA -0.154 4.199 4.350 0.004 0.000 0.267 180 T C 1.662 176.239 174.700 -0.206 0.000 1.046 180 T CA 1.530 63.534 62.100 -0.161 0.000 1.139 180 T CB -0.039 68.595 68.868 -0.391 0.000 0.871 180 T HN 0.367 nan 8.240 nan 0.000 0.454 181 E N 0.615 120.748 120.200 -0.111 0.000 2.107 181 E HA -0.003 4.350 4.350 0.004 0.000 0.191 181 E C 2.328 178.953 176.600 0.042 0.000 0.982 181 E CA 0.791 57.181 56.400 -0.017 0.000 0.809 181 E CB -0.397 29.313 29.700 0.017 0.000 0.756 181 E HN 0.338 nan 8.360 nan 0.000 0.459 182 S N -0.438 115.280 115.700 0.031 0.000 2.402 182 S HA -0.090 4.382 4.470 0.004 0.000 0.229 182 S C 1.700 176.350 174.600 0.084 0.000 1.021 182 S CA 0.674 58.906 58.200 0.053 0.000 0.974 182 S CB -0.048 63.173 63.200 0.036 0.000 0.800 182 S HN 0.109 nan 8.310 nan 0.000 0.484 183 L N 1.374 122.637 121.223 0.067 0.000 2.131 183 L HA 0.278 4.620 4.340 0.004 0.000 0.206 183 L C 2.765 179.819 176.870 0.307 0.000 1.087 183 L CA 1.417 56.311 54.840 0.090 0.000 0.767 183 L CB -0.955 40.988 42.059 -0.193 0.000 0.917 183 L HN 0.363 nan 8.230 nan 0.000 0.441 184 A N -1.396 121.598 122.820 0.289 0.000 1.940 184 A HA -0.261 4.062 4.320 0.004 0.000 0.219 184 A C 2.560 180.310 177.584 0.277 0.000 1.176 184 A CA 1.919 54.186 52.037 0.383 0.000 0.631 184 A CB -0.946 18.302 19.000 0.413 0.000 0.814 184 A HN 0.425 nan 8.150 nan 0.000 0.446 185 S N -0.630 115.189 115.700 0.199 0.000 2.400 185 S HA -0.067 4.405 4.470 0.004 0.000 0.232 185 S C 1.499 176.187 174.600 0.147 0.000 1.025 185 S CA 1.320 59.609 58.200 0.148 0.000 0.993 185 S CB -0.410 62.856 63.200 0.110 0.000 0.808 185 S HN 0.485 nan 8.310 nan 0.000 0.478 186 L N 0.857 122.201 121.223 0.201 0.000 2.629 186 L HA 0.299 4.641 4.340 0.004 0.000 0.230 186 L C 1.246 178.191 176.870 0.126 0.000 1.151 186 L CA 0.305 55.258 54.840 0.188 0.000 0.924 186 L CB -0.213 42.002 42.059 0.261 0.000 1.137 186 L HN 0.579 nan 8.230 nan 0.000 0.457 187 G N -0.104 108.775 108.800 0.130 0.000 2.255 187 G HA2 -0.275 3.688 3.960 0.004 0.000 0.239 187 G HA3 -0.275 3.688 3.960 0.004 0.000 0.239 187 G C -0.339 174.512 174.900 -0.081 0.000 1.083 187 G CA -0.592 44.518 45.100 0.017 0.000 0.826 187 G HN 0.152 nan 8.290 nan 0.000 0.493 188 F N 1.737 121.794 119.950 0.179 0.000 2.467 188 F HA 0.615 5.144 4.527 0.005 0.000 0.336 188 F C 1.006 177.040 175.800 0.390 0.000 1.123 188 F CA -0.192 57.959 58.000 0.252 0.000 0.964 188 F CB 2.009 41.143 39.000 0.223 0.000 1.136 188 F HN 0.305 nan 8.300 nan 0.000 0.447 189 S N 3.880 119.889 115.700 0.516 0.000 2.601 189 S HA 0.779 5.251 4.470 0.004 0.000 0.271 189 S C -0.830 174.100 174.600 0.549 0.000 1.305 189 S CA -0.474 57.995 58.200 0.448 0.000 1.022 189 S CB 0.873 64.259 63.200 0.310 0.000 0.940 189 S HN 0.538 nan 8.310 nan 0.000 0.525 190 F N -1.463 118.540 119.950 0.088 0.000 2.619 190 F HA 0.887 5.417 4.527 0.004 0.000 0.308 190 F C -0.024 175.463 175.800 -0.523 0.000 1.097 190 F CA -0.890 56.820 58.000 -0.482 0.000 0.953 190 F CB 0.987 39.625 39.000 -0.603 0.000 1.287 190 F HN 0.871 nan 8.300 nan 0.000 0.446 191 G N 1.329 109.487 108.800 -1.070 0.000 3.107 191 G HA2 0.790 4.753 3.960 0.004 0.000 0.232 191 G HA3 0.790 4.753 3.960 0.004 0.000 0.232 191 G C -1.539 173.169 174.900 -0.321 0.000 1.339 191 G CA -1.399 43.314 45.100 -0.645 0.000 1.033 191 G HN 0.730 nan 8.290 nan 0.000 0.567 192 R N -0.788 119.723 120.500 0.017 0.000 2.574 192 R HA 0.530 4.872 4.340 0.004 0.000 0.288 192 R C -1.304 175.004 176.300 0.013 0.000 1.004 192 R CA -0.547 55.573 56.100 0.034 0.000 0.895 192 R CB 2.229 32.519 30.300 -0.017 0.000 1.191 192 R HN 0.287 nan 8.270 nan 0.000 0.444 193 L N 2.190 123.226 121.223 -0.312 0.000 2.333 193 L HA 0.586 4.928 4.340 0.004 0.000 0.269 193 L C -0.565 176.063 176.870 -0.405 0.000 1.010 193 L CA -0.965 53.590 54.840 -0.475 0.000 0.818 193 L CB 2.161 43.771 42.059 -0.749 0.000 1.306 193 L HN 0.390 nan 8.230 nan 0.000 0.430 194 K N 0.772 121.072 120.400 -0.166 0.000 2.345 194 K HA 0.659 4.982 4.320 0.004 0.000 0.255 194 K C -0.978 175.662 176.600 0.067 0.000 0.934 194 K CA -0.673 55.608 56.287 -0.010 0.000 0.801 194 K CB 2.181 34.645 32.500 -0.060 0.000 1.137 194 K HN 0.638 nan 8.250 nan 0.000 0.424 195 T N -1.554 113.099 114.554 0.164 0.000 2.909 195 T HA 0.678 5.031 4.350 0.004 0.000 0.299 195 T C 0.008 174.746 174.700 0.064 0.000 1.073 195 T CA -1.025 61.137 62.100 0.102 0.000 0.999 195 T CB 1.823 70.760 68.868 0.116 0.000 1.098 195 T HN 0.562 nan 8.240 nan 0.000 0.477 196 G N 0.003 108.805 108.800 0.003 0.000 2.417 196 G HA2 0.619 4.582 3.960 0.004 0.000 0.334 196 G HA3 0.619 4.582 3.960 0.004 0.000 0.334 196 G C -0.916 173.915 174.900 -0.114 0.000 1.150 196 G CA -0.724 44.349 45.100 -0.044 0.000 0.923 196 G HN 0.911 nan 8.290 nan 0.000 0.485 197 T N 1.395 115.808 114.554 -0.234 0.000 2.876 197 T HA 0.722 5.075 4.350 0.004 0.000 0.289 197 T C -2.674 171.880 174.700 -0.245 0.000 1.014 197 T CA -1.798 60.151 62.100 -0.251 0.000 0.986 197 T CB 2.351 71.007 68.868 -0.353 0.000 1.021 197 T HN 0.350 nan 8.240 nan 0.000 0.458 198 P HA 0.415 nan 4.420 nan 0.000 0.278 198 P C -2.795 174.391 177.300 -0.191 0.000 1.258 198 P CA -1.834 61.154 63.100 -0.187 0.000 0.811 198 P CB -0.078 31.438 31.700 -0.308 0.000 1.063 199 P HA 0.162 nan 4.420 nan 0.000 0.274 199 P C -0.453 176.790 177.300 -0.095 0.000 1.237 199 P CA 0.019 63.092 63.100 -0.044 0.000 0.793 199 P CB 0.577 32.276 31.700 -0.003 0.000 0.977 200 R N 2.013 122.495 120.500 -0.030 0.000 2.532 200 R HA 0.680 5.023 4.340 0.004 0.000 0.295 200 R C 0.286 176.578 176.300 -0.014 0.000 0.968 200 R CA -0.918 55.178 56.100 -0.008 0.000 0.916 200 R CB 0.905 31.235 30.300 0.050 0.000 1.124 200 R HN 0.596 nan 8.270 nan 0.000 0.463 201 I N -2.391 118.169 120.570 -0.017 0.000 2.892 201 I HA 0.406 4.579 4.170 0.004 0.000 0.306 201 I C -0.358 175.755 176.117 -0.006 0.000 1.078 201 I CA -1.121 60.161 61.300 -0.031 0.000 1.032 201 I CB 2.356 40.311 38.000 -0.075 0.000 1.229 201 I HN 0.291 nan 8.210 nan 0.000 0.435 202 D N 2.960 123.354 120.400 -0.010 0.000 2.343 202 D HA 0.135 4.778 4.640 0.004 0.000 0.255 202 D C 0.889 177.193 176.300 0.007 0.000 1.187 202 D CA 0.060 54.063 54.000 0.005 0.000 0.875 202 D CB 1.707 42.507 40.800 0.000 0.000 1.136 202 D HN 0.685 nan 8.370 nan 0.000 0.469 203 S N 4.631 120.354 115.700 0.038 0.000 2.370 203 S HA -0.220 4.252 4.470 0.004 0.000 0.226 203 S C 1.749 176.415 174.600 0.110 0.000 1.033 203 S CA 0.989 59.236 58.200 0.079 0.000 1.011 203 S CB -0.133 63.134 63.200 0.111 0.000 0.852 203 S HN 0.616 nan 8.310 nan 0.000 0.457 204 R N 1.761 122.309 120.500 0.079 0.000 2.241 204 R HA -0.011 4.332 4.340 0.004 0.000 0.224 204 R C 2.175 178.505 176.300 0.049 0.000 1.101 204 R CA 1.277 57.426 56.100 0.083 0.000 0.995 204 R CB -0.488 29.836 30.300 0.040 0.000 0.870 204 R HN 0.595 nan 8.270 nan 0.000 0.463 205 S N -0.559 115.141 115.700 0.000 0.000 2.631 205 S HA 0.120 4.593 4.470 0.004 0.000 0.217 205 S C 0.622 175.159 174.600 -0.104 0.000 0.958 205 S CA -0.514 57.661 58.200 -0.042 0.000 0.920 205 S CB 0.289 63.461 63.200 -0.046 0.000 0.776 205 S HN -0.098 nan 8.310 nan 0.000 0.517 206 V N 2.407 122.222 119.914 -0.164 0.000 2.539 206 V HA 0.339 4.461 4.120 0.004 0.000 0.292 206 V C -0.115 175.714 176.094 -0.442 0.000 1.045 206 V CA -0.771 61.292 62.300 -0.396 0.000 0.945 206 V CB 1.538 32.943 31.823 -0.698 0.000 0.993 206 V HN 0.322 nan 8.190 nan 0.000 0.464 207 D N 2.919 123.087 120.400 -0.386 0.000 2.468 207 D HA 0.156 4.799 4.640 0.004 0.000 0.218 207 D C 0.192 176.319 176.300 -0.287 0.000 1.155 207 D CA -0.135 53.723 54.000 -0.237 0.000 0.924 207 D CB 0.308 41.022 40.800 -0.145 0.000 1.029 207 D HN 0.513 nan 8.370 nan 0.000 0.515 208 Y N 1.606 121.850 120.300 -0.094 0.000 2.488 208 Y HA 0.003 4.557 4.550 0.007 0.000 0.319 208 Y C 2.100 177.984 175.900 -0.026 0.000 1.212 208 Y CA 0.227 58.274 58.100 -0.087 0.000 1.273 208 Y CB 0.233 38.626 38.460 -0.112 0.000 1.074 208 Y HN 0.274 nan 8.280 nan 0.000 0.503 209 T N -0.975 113.613 114.554 0.057 0.000 3.031 209 T HA 0.059 4.412 4.350 0.004 0.000 0.254 209 T C 1.729 176.443 174.700 0.023 0.000 1.060 209 T CA 0.916 63.043 62.100 0.044 0.000 1.135 209 T CB 0.088 68.968 68.868 0.021 0.000 0.896 209 T HN 0.288 nan 8.240 nan 0.000 0.472 210 I N 0.508 121.070 120.570 -0.012 0.000 2.729 210 I HA 0.118 4.291 4.170 0.004 0.000 0.256 210 I C 0.579 176.691 176.117 -0.008 0.000 1.115 210 I CA 0.107 61.395 61.300 -0.020 0.000 1.446 210 I CB -0.190 37.781 38.000 -0.049 0.000 1.176 210 I HN -0.082 nan 8.210 nan 0.000 0.446 211 V N 3.066 122.962 119.914 -0.030 0.000 2.599 211 V HA -0.019 4.104 4.120 0.004 0.000 0.300 211 V C 0.586 176.755 176.094 0.124 0.000 1.034 211 V CA 0.124 62.432 62.300 0.012 0.000 1.115 211 V CB 0.357 32.139 31.823 -0.068 0.000 0.934 211 V HN 0.470 nan 8.190 nan 0.000 0.485 212 T N 2.217 116.843 114.554 0.121 0.000 2.780 212 T HA 0.390 4.742 4.350 0.004 0.000 0.294 212 T C -0.211 174.589 174.700 0.166 0.000 0.949 212 T CA -0.702 61.476 62.100 0.130 0.000 1.074 212 T CB 1.003 69.913 68.868 0.071 0.000 0.910 212 T HN 0.811 nan 8.240 nan 0.000 0.501 213 E N 2.565 122.858 120.200 0.156 0.000 2.338 213 E HA 0.086 4.439 4.350 0.004 0.000 0.272 213 E C -0.357 176.195 176.600 -0.081 0.000 1.029 213 E CA -0.545 55.847 56.400 -0.014 0.000 0.872 213 E CB 0.630 30.366 29.700 0.060 0.000 1.015 213 E HN 0.724 nan 8.360 nan 0.000 0.417 214 Q N 5.787 125.474 119.800 -0.189 0.000 2.558 214 Q HA 0.322 4.665 4.340 0.004 0.000 0.252 214 Q C -2.494 173.441 176.000 -0.109 0.000 1.015 214 Q CA -2.330 53.420 55.803 -0.089 0.000 0.720 214 Q CB 1.507 30.235 28.738 -0.016 0.000 1.215 214 Q HN 0.428 nan 8.270 nan 0.000 0.500 215 P HA 0.130 nan 4.420 nan 0.000 0.274 215 P C 0.020 177.307 177.300 -0.022 0.000 1.237 215 P CA -0.077 62.993 63.100 -0.051 0.000 0.793 215 P CB 0.663 32.348 31.700 -0.026 0.000 0.977 216 G N 1.037 109.835 108.800 -0.003 0.000 2.491 216 G HA2 0.264 4.226 3.960 0.004 0.000 0.242 216 G HA3 0.264 4.226 3.960 0.004 0.000 0.242 216 G C -0.623 174.297 174.900 0.032 0.000 1.266 216 G CA -0.428 44.689 45.100 0.030 0.000 0.844 216 G HN 0.544 nan 8.290 nan 0.000 0.571 217 D N 0.339 120.762 120.400 0.039 0.000 2.350 217 D HA 0.200 4.842 4.640 0.004 0.000 0.249 217 D C 0.501 176.813 176.300 0.020 0.000 1.119 217 D CA -0.661 53.355 54.000 0.026 0.000 0.886 217 D CB 1.113 41.928 40.800 0.024 0.000 1.195 217 D HN 0.190 nan 8.370 nan 0.000 0.437 218 V N 2.417 122.338 119.914 0.011 0.000 2.584 218 V HA -0.007 4.116 4.120 0.004 0.000 0.303 218 V C 0.472 176.563 176.094 -0.005 0.000 1.035 218 V CA 0.682 62.983 62.300 0.002 0.000 1.172 218 V CB -0.557 31.268 31.823 0.003 0.000 0.896 218 V HN 0.919 nan 8.190 nan 0.000 0.486 219 D N 3.269 123.657 120.400 -0.019 0.000 3.026 219 D HA -0.098 4.544 4.640 0.004 0.000 0.248 219 D C -2.361 173.913 176.300 -0.043 0.000 1.100 219 D CA -0.050 53.929 54.000 -0.034 0.000 0.855 219 D CB -0.138 40.646 40.800 -0.025 0.000 1.011 219 D HN 0.500 nan 8.370 nan 0.000 0.423 220 P HA 0.387 nan 4.420 nan 0.000 0.277 220 P C -0.609 176.612 177.300 -0.131 0.000 1.271 220 P CA -0.746 62.314 63.100 -0.066 0.000 0.795 220 P CB 0.823 32.479 31.700 -0.073 0.000 1.101 221 V N 1.818 121.660 119.914 -0.119 0.000 2.384 221 V HA 0.335 4.457 4.120 0.004 0.000 0.287 221 V C -2.252 173.722 176.094 -0.200 0.000 1.020 221 V CA -1.810 60.390 62.300 -0.168 0.000 0.850 221 V CB 1.104 32.811 31.823 -0.193 0.000 0.987 221 V HN 0.537 nan 8.190 nan 0.000 0.436 222 P HA 0.265 nan 4.420 nan 0.000 0.271 222 P C 0.237 177.460 177.300 -0.129 0.000 1.216 222 P CA -0.143 62.872 63.100 -0.142 0.000 0.776 222 P CB 0.560 32.171 31.700 -0.148 0.000 0.881 223 F N -0.032 119.860 119.950 -0.097 0.000 2.128 223 F HA -0.057 4.472 4.527 0.004 0.000 0.295 223 F C 1.736 177.364 175.800 -0.286 0.000 1.100 223 F CA 1.321 59.228 58.000 -0.154 0.000 1.260 223 F CB -0.482 38.494 39.000 -0.040 0.000 1.009 223 F HN 0.203 nan 8.300 nan 0.000 0.476 224 S N -0.518 115.194 115.700 0.020 0.000 2.548 224 S HA 0.118 4.591 4.470 0.004 0.000 0.277 224 S C 0.739 175.261 174.600 -0.130 0.000 1.315 224 S CA -0.555 57.626 58.200 -0.032 0.000 1.050 224 S CB 0.182 63.415 63.200 0.055 0.000 0.918 224 S HN 0.127 nan 8.310 nan 0.000 0.497 225 F N 2.467 122.460 119.950 0.072 0.000 2.604 225 F HA 0.039 4.569 4.527 0.006 0.000 0.298 225 F C 2.445 178.267 175.800 0.037 0.000 1.131 225 F CA 0.387 58.416 58.000 0.049 0.000 1.457 225 F CB -0.122 38.907 39.000 0.048 0.000 1.095 225 F HN 0.493 nan 8.300 nan 0.000 0.574 226 S N -1.392 114.418 115.700 0.184 0.000 2.446 226 S HA 0.004 4.476 4.470 0.004 0.000 0.225 226 S C 1.085 175.724 174.600 0.065 0.000 1.016 226 S CA 0.054 58.323 58.200 0.115 0.000 0.943 226 S CB -0.181 63.081 63.200 0.104 0.000 0.786 226 S HN 0.088 nan 8.310 nan 0.000 0.508 227 S N 1.117 116.842 115.700 0.041 0.000 2.584 227 S HA 0.205 4.677 4.470 0.004 0.000 0.270 227 S C 1.286 175.881 174.600 -0.008 0.000 1.346 227 S CA -0.070 58.133 58.200 0.004 0.000 1.018 227 S CB 1.221 64.408 63.200 -0.022 0.000 0.899 227 S HN 0.441 nan 8.310 nan 0.000 0.542 228 T N -0.106 114.433 114.554 -0.024 0.000 3.026 228 T HA 0.227 4.580 4.350 0.004 0.000 0.245 228 T C 0.399 175.066 174.700 -0.055 0.000 1.004 228 T CA 0.581 62.665 62.100 -0.026 0.000 1.069 228 T CB -0.105 68.755 68.868 -0.014 0.000 1.005 228 T HN 0.698 nan 8.240 nan 0.000 0.472 229 S N 0.217 115.871 115.700 -0.078 0.000 2.588 229 S HA 0.600 5.073 4.470 0.004 0.000 0.275 229 S C -0.174 174.322 174.600 -0.174 0.000 1.130 229 S CA -0.120 58.012 58.200 -0.113 0.000 0.855 229 S CB 1.735 64.885 63.200 -0.083 0.000 1.116 229 S HN 0.639 nan 8.310 nan 0.000 0.472 230 V N -1.592 118.165 119.914 -0.262 0.000 3.261 230 V HA 0.663 4.786 4.120 0.004 0.000 0.330 230 V C 1.456 177.370 176.094 -0.300 0.000 1.461 230 V CA 0.313 62.370 62.300 -0.405 0.000 1.127 230 V CB -0.285 30.969 31.823 -0.948 0.000 1.044 230 V HN 1.095 nan 8.190 nan 0.000 0.499 231 A N 3.024 125.739 122.820 -0.175 0.000 1.883 231 A HA -0.224 4.099 4.320 0.004 0.000 0.217 231 A C 1.956 179.504 177.584 -0.061 0.000 1.186 231 A CA 2.618 54.592 52.037 -0.105 0.000 0.624 231 A CB -0.885 18.071 19.000 -0.073 0.000 0.822 231 A HN 0.907 nan 8.150 nan 0.000 0.444 232 N N -0.797 117.872 118.700 -0.051 0.000 2.453 232 N HA -0.112 4.630 4.740 0.004 0.000 0.183 232 N C 1.024 176.538 175.510 0.007 0.000 1.041 232 N CA 0.755 53.794 53.050 -0.018 0.000 0.900 232 N CB -0.296 38.181 38.487 -0.016 0.000 0.961 232 N HN 0.269 nan 8.380 nan 0.000 0.443 233 R N 0.303 120.808 120.500 0.008 0.000 2.346 233 R HA 0.137 4.480 4.340 0.004 0.000 0.225 233 R C -0.365 176.041 176.300 0.176 0.000 0.987 233 R CA -0.050 56.112 56.100 0.103 0.000 1.106 233 R CB -0.950 29.456 30.300 0.177 0.000 1.090 233 R HN 0.280 nan 8.270 nan 0.000 0.502 234 N N 1.249 120.013 118.700 0.105 0.000 3.083 234 N HA 0.131 4.874 4.740 0.004 0.000 0.260 234 N C 0.717 176.262 175.510 0.060 0.000 1.163 234 N CA 0.023 53.134 53.050 0.101 0.000 1.060 234 N CB 0.615 39.144 38.487 0.069 0.000 1.345 234 N HN 0.152 nan 8.380 nan 0.000 0.515 235 L N -0.007 121.251 121.223 0.059 0.000 2.388 235 L HA 0.256 4.599 4.340 0.004 0.000 0.209 235 L C 0.341 177.231 176.870 0.032 0.000 1.061 235 L CA 0.510 55.374 54.840 0.040 0.000 0.834 235 L CB 0.330 42.413 42.059 0.040 0.000 1.029 235 L HN 0.032 nan 8.230 nan 0.000 0.473 236 V N -1.101 118.831 119.914 0.029 0.000 2.914 236 V HA 0.526 4.649 4.120 0.004 0.000 0.314 236 V C -0.278 175.815 176.094 -0.001 0.000 1.084 236 V CA -0.808 61.511 62.300 0.030 0.000 0.963 236 V CB 1.870 33.723 31.823 0.050 0.000 1.025 236 V HN 0.202 nan 8.190 nan 0.000 0.432 237 S N 0.404 116.083 115.700 -0.035 0.000 2.664 237 S HA 0.703 5.175 4.470 0.004 0.000 0.304 237 S C -0.381 174.051 174.600 -0.280 0.000 1.099 237 S CA -0.656 57.453 58.200 -0.153 0.000 1.003 237 S CB 1.586 64.662 63.200 -0.207 0.000 1.092 237 S HN 0.731 nan 8.310 nan 0.000 0.525 238 C N 0.537 119.660 119.300 -0.295 0.000 2.352 238 C HA 0.700 5.162 4.460 0.004 0.000 0.387 238 C C -0.936 173.760 174.990 -0.490 0.000 1.294 238 C CA -0.515 58.384 59.018 -0.199 0.000 2.137 238 C CB -0.233 27.510 27.740 0.005 0.000 2.146 238 C HN 0.869 nan 8.230 nan 0.000 0.559 239 Y N 0.561 120.951 120.300 0.150 0.000 2.331 239 Y HA 0.528 5.080 4.550 0.002 0.000 0.326 239 Y C -0.168 175.777 175.900 0.075 0.000 1.020 239 Y CA -0.490 57.678 58.100 0.113 0.000 1.136 239 Y CB 0.677 39.198 38.460 0.102 0.000 1.157 239 Y HN 0.344 nan 8.280 nan 0.000 0.444 240 L N 4.104 125.416 121.223 0.148 0.000 2.312 240 L HA 0.790 5.133 4.340 0.004 0.000 0.281 240 L C -0.176 176.683 176.870 -0.018 0.000 1.070 240 L CA -0.303 54.546 54.840 0.015 0.000 0.805 240 L CB 1.341 43.403 42.059 0.005 0.000 1.174 240 L HN 0.657 nan 8.230 nan 0.000 0.434 241 T N 0.666 115.160 114.554 -0.100 0.000 2.762 241 T HA 0.505 4.857 4.350 0.004 0.000 0.301 241 T C -1.031 173.573 174.700 -0.160 0.000 1.299 241 T CA -1.162 60.875 62.100 -0.105 0.000 1.005 241 T CB 2.441 71.253 68.868 -0.093 0.000 1.377 241 T HN 0.620 nan 8.240 nan 0.000 0.504 242 K N -0.408 119.897 120.400 -0.158 0.000 2.400 242 K HA 0.793 5.116 4.320 0.004 0.000 0.246 242 K C -0.525 176.007 176.600 -0.113 0.000 0.995 242 K CA -0.999 55.172 56.287 -0.194 0.000 0.840 242 K CB 1.502 33.837 32.500 -0.275 0.000 1.293 242 K HN 0.715 nan 8.250 nan 0.000 0.445 243 T N -1.333 113.181 114.554 -0.068 0.000 2.918 243 T HA 0.360 4.712 4.350 0.004 0.000 0.283 243 T C -0.023 174.627 174.700 -0.085 0.000 1.001 243 T CA -0.606 61.448 62.100 -0.076 0.000 1.041 243 T CB 1.241 70.068 68.868 -0.068 0.000 1.028 243 T HN 0.519 nan 8.240 nan 0.000 0.511 244 T N 1.553 116.019 114.554 -0.146 0.000 2.929 244 T HA 0.270 4.622 4.350 0.004 0.000 0.284 244 T C 1.674 176.331 174.700 -0.072 0.000 1.014 244 T CA -0.718 61.335 62.100 -0.078 0.000 1.051 244 T CB 1.482 70.309 68.868 -0.068 0.000 1.028 244 T HN 0.842 nan 8.240 nan 0.000 0.485 245 E N 1.727 121.996 120.200 0.116 0.000 2.208 245 E HA -0.317 4.035 4.350 0.004 0.000 0.202 245 E C 1.739 178.407 176.600 0.113 0.000 1.014 245 E CA 1.399 57.939 56.400 0.234 0.000 0.819 245 E CB -0.089 29.685 29.700 0.124 0.000 0.735 245 E HN 0.577 nan 8.360 nan 0.000 0.469 246 K N 0.413 120.818 120.400 0.008 0.000 2.155 246 K HA -0.073 4.249 4.320 0.004 0.000 0.203 246 K C 1.996 178.558 176.600 -0.064 0.000 1.052 246 K CA 1.551 57.825 56.287 -0.022 0.000 0.948 246 K CB 0.031 32.512 32.500 -0.031 0.000 0.728 246 K HN 0.154 nan 8.250 nan 0.000 0.448 247 T N -0.101 114.363 114.554 -0.150 0.000 2.708 247 T HA -0.131 4.222 4.350 0.004 0.000 0.266 247 T C 1.352 175.954 174.700 -0.164 0.000 1.037 247 T CA 1.648 63.636 62.100 -0.188 0.000 1.146 247 T CB -0.430 68.269 68.868 -0.281 0.000 0.865 247 T HN 0.463 nan 8.240 nan 0.000 0.435 248 H N 1.061 120.148 119.070 0.029 0.000 2.387 248 H HA -0.039 4.519 4.556 0.004 0.000 0.299 248 H C 2.207 177.501 175.328 -0.057 0.000 1.090 248 H CA 1.189 57.246 56.048 0.014 0.000 1.332 248 H CB -0.127 29.677 29.762 0.069 0.000 1.386 248 H HN 0.238 nan 8.280 nan 0.000 0.516 249 D N 0.657 121.088 120.400 0.051 0.000 2.097 249 D HA -0.133 4.509 4.640 0.004 0.000 0.195 249 D C 2.172 178.419 176.300 -0.090 0.000 0.989 249 D CA 1.020 55.007 54.000 -0.022 0.000 0.827 249 D CB -0.261 40.533 40.800 -0.010 0.000 0.966 249 D HN 0.384 nan 8.370 nan 0.000 0.456 250 I N 0.212 120.735 120.570 -0.077 0.000 2.264 250 I HA -0.256 3.917 4.170 0.004 0.000 0.248 250 I C 2.068 178.095 176.117 -0.150 0.000 1.111 250 I CA 0.647 61.892 61.300 -0.091 0.000 1.382 250 I CB -0.115 37.851 38.000 -0.056 0.000 1.060 250 I HN -0.025 nan 8.210 nan 0.000 0.418 251 L N 0.186 121.299 121.223 -0.183 0.000 2.240 251 L HA -0.046 4.297 4.340 0.004 0.000 0.211 251 L C 2.502 178.923 176.870 -0.749 0.000 1.106 251 L CA 1.387 56.044 54.840 -0.305 0.000 0.793 251 L CB -0.632 41.315 42.059 -0.186 0.000 0.927 251 L HN 0.065 nan 8.230 nan 0.000 0.446 252 R N -1.085 118.931 120.500 -0.806 0.000 2.159 252 R HA -0.140 4.202 4.340 0.004 0.000 0.237 252 R C 2.057 177.906 176.300 -0.750 0.000 1.131 252 R CA 1.583 56.971 56.100 -1.187 0.000 0.982 252 R CB -0.803 29.203 30.300 -0.490 0.000 0.868 252 R HN 0.355 nan 8.270 nan 0.000 0.453 253 T N -0.075 114.224 114.554 -0.426 0.000 2.653 253 T HA -0.185 4.168 4.350 0.004 0.000 0.268 253 T C 1.712 176.282 174.700 -0.216 0.000 1.035 253 T CA 1.793 63.747 62.100 -0.243 0.000 1.154 253 T CB -0.338 68.433 68.868 -0.160 0.000 0.862 253 T HN 0.550 nan 8.240 nan 0.000 0.441 254 G N -0.644 108.004 108.800 -0.255 0.000 3.189 254 G HA2 0.187 4.150 3.960 0.004 0.000 0.225 254 G HA3 0.187 4.150 3.960 0.004 0.000 0.225 254 G C 0.946 175.819 174.900 -0.045 0.000 1.159 254 G CA -0.336 44.694 45.100 -0.118 0.000 0.763 254 G HN 0.271 nan 8.290 nan 0.000 0.549 255 F N 2.058 121.866 119.950 -0.238 0.000 2.091 255 F HA -0.084 4.446 4.527 0.004 0.000 0.299 255 F C 1.965 177.597 175.800 -0.280 0.000 1.103 255 F CA 1.031 58.746 58.000 -0.475 0.000 1.228 255 F CB -0.370 38.105 39.000 -0.875 0.000 0.984 255 F HN 0.140 nan 8.300 nan 0.000 0.477 256 D N -0.839 119.602 120.400 0.068 0.000 2.371 256 D HA -0.047 4.596 4.640 0.004 0.000 0.221 256 D C 2.279 178.648 176.300 0.114 0.000 0.986 256 D CA 0.512 54.592 54.000 0.133 0.000 0.899 256 D CB -0.147 40.716 40.800 0.104 0.000 0.902 256 D HN 0.282 nan 8.370 nan 0.000 0.530 257 R N 0.138 120.691 120.500 0.088 0.000 2.123 257 R HA 0.082 4.424 4.340 0.004 0.000 0.209 257 R C 0.742 177.099 176.300 0.094 0.000 1.078 257 R CA 0.207 56.354 56.100 0.079 0.000 1.028 257 R CB 0.208 30.543 30.300 0.057 0.000 0.939 257 R HN 0.037 nan 8.270 nan 0.000 0.463 258 S N 2.783 118.549 115.700 0.110 0.000 2.481 258 S HA 0.118 4.591 4.470 0.004 0.000 0.282 258 S C -1.939 172.722 174.600 0.101 0.000 1.243 258 S CA -1.110 57.156 58.200 0.111 0.000 1.078 258 S CB 0.964 64.239 63.200 0.125 0.000 0.916 258 S HN 0.082 nan 8.310 nan 0.000 0.495 259 P HA 0.222 nan 4.420 nan 0.000 0.253 259 P C 0.311 177.562 177.300 -0.081 0.000 1.508 259 P CA -0.047 63.009 63.100 -0.074 0.000 0.883 259 P CB -0.013 31.524 31.700 -0.271 0.000 1.519 260 L N -2.065 119.161 121.223 0.005 0.000 2.642 260 L HA 0.268 4.611 4.340 0.004 0.000 0.233 260 L C 0.893 177.781 176.870 0.029 0.000 1.077 260 L CA -0.361 54.478 54.840 -0.002 0.000 0.879 260 L CB -0.018 42.046 42.059 0.007 0.000 1.151 260 L HN -0.081 nan 8.230 nan 0.000 0.495 261 F N 2.133 122.028 119.950 -0.092 0.000 2.593 261 F HA 0.049 4.578 4.527 0.004 0.000 0.393 261 F C 0.545 176.264 175.800 -0.134 0.000 1.037 261 F CA 0.264 58.175 58.000 -0.148 0.000 1.195 261 F CB 0.376 39.288 39.000 -0.146 0.000 1.034 261 F HN -0.241 nan 8.300 nan 0.000 0.552 262 T N 5.573 119.750 114.554 -0.627 0.000 2.841 262 T HA 0.628 4.981 4.350 0.004 0.000 0.285 262 T C -0.075 174.242 174.700 -0.638 0.000 0.991 262 T CA 0.382 62.160 62.100 -0.536 0.000 0.966 262 T CB 0.360 69.076 68.868 -0.253 0.000 0.962 262 T HN 1.615 nan 8.240 nan 0.000 0.438 274 P HA 0.589 nan 4.420 nan 0.000 0.207 274 P C -0.365 176.921 177.300 -0.023 0.000 1.873 274 P CA 0.298 63.394 63.100 -0.007 0.000 1.100 274 P CB 0.608 32.305 31.700 -0.004 0.000 1.831 275 S N 0.482 116.160 115.700 -0.036 0.000 2.686 275 S HA 0.209 4.682 4.470 0.004 0.000 0.273 275 S C 0.049 174.589 174.600 -0.100 0.000 1.060 275 S CA -0.428 57.736 58.200 -0.061 0.000 0.845 275 S CB 0.717 63.901 63.200 -0.026 0.000 1.086 275 S HN 0.145 nan 8.310 nan 0.000 0.461 276 I N 1.806 122.272 120.570 -0.173 0.000 3.265 276 I HA 0.230 4.402 4.170 0.004 0.000 0.282 276 I C 1.609 177.664 176.117 -0.103 0.000 1.207 276 I CA 1.265 62.427 61.300 -0.230 0.000 1.449 276 I CB -0.142 37.554 38.000 -0.507 0.000 1.121 276 I HN 0.729 nan 8.210 nan 0.000 0.442 277 E N 0.361 120.548 120.200 -0.022 0.000 2.031 277 E HA -0.267 4.085 4.350 0.004 0.000 0.193 277 E C 1.759 178.315 176.600 -0.074 0.000 0.994 277 E CA 1.755 58.228 56.400 0.122 0.000 0.800 277 E CB -0.326 29.453 29.700 0.131 0.000 0.752 277 E HN 0.487 nan 8.360 nan 0.000 0.447 278 D N 0.571 120.962 120.400 -0.017 0.000 2.104 278 D HA -0.194 4.448 4.640 0.004 0.000 0.194 278 D C 1.797 178.102 176.300 0.009 0.000 0.994 278 D CA 1.335 55.333 54.000 -0.003 0.000 0.830 278 D CB 0.051 40.849 40.800 -0.003 0.000 0.959 278 D HN -0.020 nan 8.370 nan 0.000 0.452 279 K N -0.335 120.066 120.400 0.001 0.000 2.009 279 K HA -0.130 4.193 4.320 0.004 0.000 0.210 279 K C 2.242 178.886 176.600 0.074 0.000 1.049 279 K CA 1.566 57.870 56.287 0.028 0.000 0.929 279 K CB -0.209 32.185 32.500 -0.177 0.000 0.714 279 K HN 0.241 nan 8.250 nan 0.000 0.440 280 I N 0.091 120.667 120.570 0.010 0.000 2.394 280 I HA -0.241 3.932 4.170 0.004 0.000 0.251 280 I C 2.500 178.690 176.117 0.122 0.000 1.136 280 I CA 0.757 62.129 61.300 0.119 0.000 1.425 280 I CB -0.272 37.868 38.000 0.234 0.000 1.079 280 I HN 0.190 nan 8.210 nan 0.000 0.425 281 S N 0.943 116.661 115.700 0.029 0.000 2.345 281 S HA -0.104 4.369 4.470 0.004 0.000 0.220 281 S C 2.201 176.789 174.600 -0.020 0.000 1.031 281 S CA 1.241 59.429 58.200 -0.020 0.000 0.996 281 S CB -0.083 63.085 63.200 -0.052 0.000 0.882 281 S HN 0.333 nan 8.310 nan 0.000 0.445 282 R N -0.999 119.471 120.500 -0.050 0.000 2.189 282 R HA 0.062 4.405 4.340 0.004 0.000 0.218 282 R C -0.276 175.743 176.300 -0.469 0.000 1.074 282 R CA 0.729 56.686 56.100 -0.238 0.000 0.991 282 R CB -0.060 30.095 30.300 -0.242 0.000 0.883 282 R HN 0.358 nan 8.270 nan 0.000 0.457 283 F N 0.521 120.504 119.950 0.054 0.000 2.622 283 F HA 0.283 4.813 4.527 0.005 0.000 0.338 283 F C -1.742 174.087 175.800 0.049 0.000 1.334 283 F CA -2.181 55.860 58.000 0.068 0.000 1.179 283 F CB 1.734 40.810 39.000 0.127 0.000 1.471 283 F HN -0.146 nan 8.300 nan 0.000 0.576 284 P HA 0.004 nan 4.420 nan 0.000 0.249 284 P C 0.706 178.031 177.300 0.042 0.000 1.229 284 P CA 0.781 63.919 63.100 0.064 0.000 0.788 284 P CB 0.553 32.282 31.700 0.047 0.000 1.072 285 D N 0.260 120.707 120.400 0.079 0.000 2.183 285 D HA 0.005 4.648 4.640 0.004 0.000 0.205 285 D C 0.726 177.036 176.300 0.017 0.000 0.962 285 D CA 0.751 54.783 54.000 0.054 0.000 0.849 285 D CB -0.041 40.807 40.800 0.080 0.000 0.978 285 D HN 0.169 nan 8.370 nan 0.000 0.488 286 K N 0.860 121.262 120.400 0.004 0.000 2.383 286 K HA 0.112 4.434 4.320 0.004 0.000 0.286 286 K C 0.619 177.120 176.600 -0.165 0.000 1.051 286 K CA 0.008 56.225 56.287 -0.117 0.000 0.974 286 K CB 0.943 33.291 32.500 -0.253 0.000 0.968 286 K HN -0.198 nan 8.250 nan 0.000 0.475 287 S N 1.724 117.363 115.700 -0.101 0.000 2.671 287 S HA 0.025 4.497 4.470 0.004 0.000 0.220 287 S C -0.144 174.490 174.600 0.056 0.000 0.951 287 S CA -0.046 58.137 58.200 -0.028 0.000 0.932 287 S CB 0.026 63.229 63.200 0.005 0.000 0.777 287 S HN 0.556 nan 8.310 nan 0.000 0.508 288 S N -0.297 115.366 115.700 -0.062 0.000 2.537 288 S HA 0.593 5.066 4.470 0.004 0.000 0.271 288 S C -1.836 172.596 174.600 -0.280 0.000 1.148 288 S CA -0.633 57.545 58.200 -0.037 0.000 0.868 288 S CB 0.954 64.086 63.200 -0.114 0.000 1.115 288 S HN 0.516 nan 8.310 nan 0.000 0.461 289 H N 1.357 120.450 119.070 0.038 0.000 2.806 289 H HA 0.447 5.005 4.556 0.004 0.000 0.367 289 H C -0.736 174.530 175.328 -0.103 0.000 1.136 289 H CA -0.718 55.337 56.048 0.012 0.000 1.178 289 H CB 1.108 30.952 29.762 0.136 0.000 1.718 289 H HN 0.564 nan 8.280 nan 0.000 0.540 290 H N 2.382 121.498 119.070 0.076 0.000 2.683 290 H HA 0.247 4.805 4.556 0.004 0.000 0.339 290 H C -0.081 175.170 175.328 -0.129 0.000 1.081 290 H CA 0.166 56.143 56.048 -0.119 0.000 1.432 290 H CB 0.893 30.529 29.762 -0.210 0.000 1.462 290 H HN 0.501 nan 8.280 nan 0.000 0.557 291 I N -0.197 120.279 120.570 -0.156 0.000 2.582 291 I HA 0.406 4.579 4.170 0.004 0.000 0.292 291 I C -1.309 174.654 176.117 -0.256 0.000 1.066 291 I CA -0.846 60.396 61.300 -0.097 0.000 1.053 291 I CB 1.616 39.620 38.000 0.007 0.000 1.241 291 I HN 0.107 nan 8.210 nan 0.000 0.421 292 F N 5.878 125.891 119.950 0.104 0.000 2.426 292 F HA 0.575 5.104 4.527 0.004 0.000 0.348 292 F C -0.305 175.566 175.800 0.117 0.000 1.124 292 F CA -0.691 57.372 58.000 0.104 0.000 1.008 292 F CB 1.675 40.727 39.000 0.088 0.000 1.139 292 F HN 0.276 nan 8.300 nan 0.000 0.452 293 L N 4.240 125.626 121.223 0.272 0.000 2.260 293 L HA 0.415 4.757 4.340 0.004 0.000 0.289 293 L C -0.464 176.587 176.870 0.302 0.000 1.057 293 L CA -0.240 54.742 54.840 0.237 0.000 0.811 293 L CB 0.696 42.855 42.059 0.166 0.000 1.184 293 L HN 0.613 nan 8.230 nan 0.000 0.429 294 E N 4.987 125.352 120.200 0.275 0.000 2.185 294 E HA 0.344 4.696 4.350 0.004 0.000 0.261 294 E C -2.482 174.231 176.600 0.188 0.000 0.879 294 E CA -2.073 54.456 56.400 0.216 0.000 0.756 294 E CB 1.818 31.609 29.700 0.152 0.000 1.152 294 E HN 0.296 nan 8.360 nan 0.000 0.416 295 P HA -0.048 nan 4.420 nan 0.000 0.266 295 P C -0.032 177.314 177.300 0.076 0.000 1.195 295 P CA 0.250 63.431 63.100 0.135 0.000 0.768 295 P CB 0.674 32.459 31.700 0.141 0.000 0.838 296 E N 0.748 120.988 120.200 0.068 0.000 2.474 296 E HA 0.190 4.542 4.350 0.004 0.000 0.194 296 E C 0.827 177.437 176.600 0.017 0.000 1.041 296 E CA -0.006 56.412 56.400 0.031 0.000 0.874 296 E CB 0.335 30.067 29.700 0.054 0.000 0.914 296 E HN 0.601 nan 8.360 nan 0.000 0.498 297 G N -0.351 108.468 108.800 0.030 0.000 2.623 297 G HA2 0.119 4.082 3.960 0.004 0.000 0.290 297 G HA3 0.119 4.082 3.960 0.004 0.000 0.290 297 G C 0.510 175.429 174.900 0.032 0.000 1.437 297 G CA -0.216 44.899 45.100 0.025 0.000 0.798 297 G HN -0.027 nan 8.290 nan 0.000 0.488 298 T N -2.062 112.508 114.554 0.028 0.000 2.904 298 T HA 0.038 4.390 4.350 0.004 0.000 0.267 298 T C 0.667 175.384 174.700 0.029 0.000 1.059 298 T CA 1.863 63.981 62.100 0.029 0.000 1.137 298 T CB -0.088 68.796 68.868 0.026 0.000 0.879 298 T HN 0.638 nan 8.240 nan 0.000 0.467 299 D N 0.359 120.775 120.400 0.026 0.000 2.945 299 D HA 0.277 4.919 4.640 0.004 0.000 0.340 299 D C -0.553 175.762 176.300 0.026 0.000 1.240 299 D CA -0.496 53.518 54.000 0.024 0.000 0.749 299 D CB 0.080 40.890 40.800 0.018 0.000 1.217 299 D HN 0.163 nan 8.370 nan 0.000 0.514 300 T N -1.131 113.442 114.554 0.032 0.000 2.950 300 T HA 0.362 4.715 4.350 0.004 0.000 0.288 300 T C 0.418 175.142 174.700 0.040 0.000 1.035 300 T CA -0.576 61.545 62.100 0.035 0.000 1.028 300 T CB 2.110 71.001 68.868 0.039 0.000 1.109 300 T HN -0.058 nan 8.240 nan 0.000 0.514 301 V N 2.004 121.941 119.914 0.038 0.000 3.650 301 V HA 0.381 4.503 4.120 0.004 0.000 0.271 301 V C 0.782 176.905 176.094 0.048 0.000 1.281 301 V CA 0.302 62.627 62.300 0.041 0.000 1.120 301 V CB -0.430 31.411 31.823 0.030 0.000 0.856 301 V HN 0.878 nan 8.190 nan 0.000 0.443 302 E N 1.392 121.624 120.200 0.052 0.000 2.316 302 E HA 0.340 4.693 4.350 0.004 0.000 0.275 302 E C -0.443 176.206 176.600 0.081 0.000 1.029 302 E CA -0.130 56.306 56.400 0.061 0.000 0.871 302 E CB 0.806 30.544 29.700 0.064 0.000 1.022 302 E HN 0.461 nan 8.360 nan 0.000 0.418 303 M N 4.995 124.645 119.600 0.084 0.000 2.327 303 M HA 0.242 4.725 4.480 0.004 0.000 0.298 303 M C -1.730 174.652 176.300 0.136 0.000 1.065 303 M CA -0.803 54.566 55.300 0.114 0.000 0.916 303 M CB 1.314 33.967 32.600 0.089 0.000 1.630 303 M HN 0.590 nan 8.290 nan 0.000 0.442 304 Y N 4.382 124.705 120.300 0.038 0.000 2.316 304 Y HA 0.493 5.046 4.550 0.005 0.000 0.331 304 Y C -0.790 175.136 175.900 0.044 0.000 1.083 304 Y CA -0.295 57.825 58.100 0.033 0.000 1.206 304 Y CB 0.983 39.461 38.460 0.029 0.000 1.195 304 Y HN 0.410 nan 8.280 nan 0.000 0.497 305 V N 6.806 126.550 119.914 -0.282 0.000 2.218 305 V HA 0.096 4.218 4.120 0.004 0.000 0.261 305 V C -0.019 175.969 176.094 -0.176 0.000 1.142 305 V CA -0.895 61.307 62.300 -0.163 0.000 0.965 305 V CB -0.471 31.228 31.823 -0.206 0.000 1.190 305 V HN 0.745 nan 8.190 nan 0.000 0.478 306 N N 2.959 121.709 118.700 0.084 0.000 2.407 306 N HA 0.314 5.056 4.740 0.004 0.000 0.250 306 N C 1.306 176.958 175.510 0.238 0.000 1.236 306 N CA 1.881 55.079 53.050 0.247 0.000 0.879 306 N CB 0.769 39.529 38.487 0.456 0.000 1.088 306 N HN 0.860 nan 8.380 nan 0.000 0.450 307 G N 2.036 110.948 108.800 0.187 0.000 2.143 307 G HA2 -0.277 3.685 3.960 0.004 0.000 0.249 307 G HA3 -0.277 3.685 3.960 0.004 0.000 0.249 307 G C 0.124 175.110 174.900 0.143 0.000 0.981 307 G CA 0.274 45.472 45.100 0.163 0.000 0.665 307 G HN 0.593 nan 8.290 nan 0.000 0.528 308 F N 2.266 122.183 119.950 -0.055 0.000 2.841 308 F HA 0.552 5.082 4.527 0.005 0.000 0.358 308 F C 0.879 176.619 175.800 -0.100 0.000 1.261 308 F CA -0.280 57.675 58.000 -0.075 0.000 1.233 308 F CB 0.693 39.640 39.000 -0.089 0.000 1.008 308 F HN 0.041 nan 8.300 nan 0.000 0.507 309 S N 1.176 116.829 115.700 -0.079 0.000 2.537 309 S HA 0.307 4.779 4.470 0.004 0.000 0.286 309 S C 0.248 174.754 174.600 -0.157 0.000 1.299 309 S CA 0.517 58.654 58.200 -0.104 0.000 1.067 309 S CB 0.743 63.894 63.200 -0.082 0.000 0.864 309 S HN 0.474 nan 8.310 nan 0.000 0.494 310 T N 1.335 115.826 114.554 -0.105 0.000 2.889 310 T HA 0.455 4.808 4.350 0.004 0.000 0.315 310 T C -0.221 174.483 174.700 0.007 0.000 1.291 310 T CA -0.663 61.381 62.100 -0.093 0.000 1.028 310 T CB 1.317 70.086 68.868 -0.165 0.000 1.235 310 T HN 0.294 nan 8.240 nan 0.000 0.491 311 S N 2.123 117.846 115.700 0.037 0.000 2.819 311 S HA 0.362 4.835 4.470 0.004 0.000 0.249 311 S C 0.345 175.002 174.600 0.096 0.000 1.030 311 S CA -0.438 57.820 58.200 0.096 0.000 1.052 311 S CB -0.151 63.104 63.200 0.092 0.000 1.017 311 S HN 0.584 nan 8.310 nan 0.000 0.576 312 L N 2.420 123.685 121.223 0.069 0.000 2.473 312 L HA 0.255 4.598 4.340 0.004 0.000 0.268 312 L C -2.346 174.570 176.870 0.077 0.000 1.215 312 L CA -1.953 52.923 54.840 0.060 0.000 0.823 312 L CB -0.291 41.783 42.059 0.025 0.000 1.099 312 L HN -0.067 nan 8.230 nan 0.000 0.483 313 P HA -0.063 nan 4.420 nan 0.000 0.265 313 P C 0.387 177.732 177.300 0.076 0.000 1.187 313 P CA 0.145 63.286 63.100 0.068 0.000 0.766 313 P CB 0.499 32.225 31.700 0.045 0.000 0.820 314 E N 2.796 123.051 120.200 0.093 0.000 2.136 314 E HA -0.343 4.010 4.350 0.004 0.000 0.202 314 E C 1.255 177.895 176.600 0.066 0.000 1.019 314 E CA 2.005 58.461 56.400 0.094 0.000 0.819 314 E CB -0.104 29.657 29.700 0.101 0.000 0.739 314 E HN 0.563 nan 8.360 nan 0.000 0.458 315 D N 0.058 120.488 120.400 0.050 0.000 2.224 315 D HA -0.160 4.483 4.640 0.004 0.000 0.205 315 D C 1.962 178.276 176.300 0.024 0.000 0.965 315 D CA 0.793 54.811 54.000 0.031 0.000 0.852 315 D CB -0.396 40.418 40.800 0.022 0.000 0.947 315 D HN 0.398 nan 8.370 nan 0.000 0.494 316 I N 0.180 120.766 120.570 0.028 0.000 2.500 316 I HA -0.170 4.002 4.170 0.004 0.000 0.252 316 I C 2.638 178.784 176.117 0.048 0.000 1.142 316 I CA 0.481 61.791 61.300 0.017 0.000 1.451 316 I CB -0.130 37.866 38.000 -0.007 0.000 1.093 316 I HN -0.075 nan 8.210 nan 0.000 0.430 317 Q N 0.746 120.597 119.800 0.083 0.000 2.030 317 Q HA -0.200 4.142 4.340 0.004 0.000 0.204 317 Q C 2.390 178.437 176.000 0.078 0.000 0.986 317 Q CA 1.670 57.565 55.803 0.153 0.000 0.843 317 Q CB -0.120 28.720 28.738 0.169 0.000 0.904 317 Q HN 0.510 nan 8.270 nan 0.000 0.420 318 I N 0.626 121.211 120.570 0.026 0.000 2.226 318 I HA -0.280 3.893 4.170 0.004 0.000 0.245 318 I C 2.432 178.530 176.117 -0.033 0.000 1.100 318 I CA 0.934 62.220 61.300 -0.023 0.000 1.374 318 I CB -0.508 37.482 38.000 -0.016 0.000 1.057 318 I HN 0.178 nan 8.210 nan 0.000 0.413 319 A N 1.027 123.841 122.820 -0.011 0.000 1.933 319 A HA -0.124 4.199 4.320 0.004 0.000 0.218 319 A C 2.418 179.990 177.584 -0.021 0.000 1.175 319 A CA 1.952 53.978 52.037 -0.019 0.000 0.628 319 A CB -1.277 17.714 19.000 -0.015 0.000 0.814 319 A HN 0.473 nan 8.150 nan 0.000 0.444 320 G N -0.366 108.443 108.800 0.016 0.000 2.404 320 G HA2 -0.052 3.911 3.960 0.004 0.000 0.214 320 G HA3 -0.052 3.911 3.960 0.004 0.000 0.214 320 G C 1.460 176.334 174.900 -0.044 0.000 1.189 320 G CA 0.967 46.098 45.100 0.051 0.000 0.789 320 G HN 0.363 nan 8.290 nan 0.000 0.533 321 L N 0.339 121.469 121.223 -0.155 0.000 2.043 321 L HA -0.054 4.288 4.340 0.004 0.000 0.212 321 L C 2.995 179.745 176.870 -0.201 0.000 1.075 321 L CA 1.348 55.996 54.840 -0.319 0.000 0.752 321 L CB -0.214 41.629 42.059 -0.360 0.000 0.891 321 L HN 0.112 nan 8.230 nan 0.000 0.432 322 R N -0.964 119.456 120.500 -0.133 0.000 2.237 322 R HA -0.075 4.267 4.340 0.004 0.000 0.219 322 R C 2.337 178.579 176.300 -0.096 0.000 1.080 322 R CA 1.214 57.250 56.100 -0.108 0.000 0.995 322 R CB -0.341 29.912 30.300 -0.079 0.000 0.875 322 R HN 0.541 nan 8.270 nan 0.000 0.462 323 S N 0.421 116.066 115.700 -0.092 0.000 2.470 323 S HA 0.033 4.506 4.470 0.004 0.000 0.225 323 S C 1.024 175.567 174.600 -0.095 0.000 1.006 323 S CA 0.028 58.179 58.200 -0.082 0.000 0.934 323 S CB -0.169 62.987 63.200 -0.072 0.000 0.778 323 S HN 0.084 nan 8.310 nan 0.000 0.517 324 I N 4.537 125.037 120.570 -0.117 0.000 2.598 324 I HA 0.160 4.332 4.170 0.004 0.000 0.284 324 I C -2.157 173.891 176.117 -0.115 0.000 1.140 324 I CA -2.075 59.152 61.300 -0.122 0.000 1.420 324 I CB 0.294 38.200 38.000 -0.155 0.000 1.387 324 I HN 0.081 nan 8.210 nan 0.000 0.553 325 P HA -0.024 nan 4.420 nan 0.000 0.262 325 P C 0.834 178.069 177.300 -0.108 0.000 1.182 325 P CA 0.694 63.740 63.100 -0.091 0.000 0.761 325 P CB 0.755 32.410 31.700 -0.076 0.000 0.795 326 G N 2.704 111.436 108.800 -0.113 0.000 2.241 326 G HA2 -0.248 3.715 3.960 0.004 0.000 0.244 326 G HA3 -0.248 3.715 3.960 0.004 0.000 0.244 326 G C 0.405 175.198 174.900 -0.178 0.000 0.998 326 G CA 0.081 45.092 45.100 -0.149 0.000 0.621 326 G HN 0.506 nan 8.290 nan 0.000 0.519 327 L N 0.319 121.448 121.223 -0.157 0.000 3.110 327 L HA 0.383 4.725 4.340 0.004 0.000 0.266 327 L C 1.697 178.489 176.870 -0.131 0.000 1.257 327 L CA -0.134 54.609 54.840 -0.163 0.000 1.038 327 L CB 0.641 42.589 42.059 -0.185 0.000 1.395 327 L HN 0.056 nan 8.230 nan 0.000 0.566 328 E N 1.058 121.192 120.200 -0.109 0.000 2.204 328 E HA -0.159 4.194 4.350 0.004 0.000 0.195 328 E C 0.880 177.434 176.600 -0.077 0.000 0.990 328 E CA 1.117 57.466 56.400 -0.086 0.000 0.821 328 E CB 0.135 29.792 29.700 -0.071 0.000 0.750 328 E HN 0.411 nan 8.360 nan 0.000 0.477 329 E N -0.286 119.865 120.200 -0.082 0.000 2.685 329 E HA 0.316 4.668 4.350 0.004 0.000 0.208 329 E C -0.709 175.847 176.600 -0.074 0.000 0.996 329 E CA -0.302 56.057 56.400 -0.067 0.000 1.054 329 E CB 1.024 30.691 29.700 -0.056 0.000 1.075 329 E HN 0.086 nan 8.360 nan 0.000 0.460 330 A N 1.750 124.515 122.820 -0.092 0.000 2.492 330 A HA 0.109 4.431 4.320 0.004 0.000 0.254 330 A C 0.067 177.607 177.584 -0.073 0.000 1.091 330 A CA 0.266 52.244 52.037 -0.098 0.000 0.768 330 A CB 0.121 19.042 19.000 -0.131 0.000 1.028 330 A HN 0.068 nan 8.150 nan 0.000 0.498 331 K N 2.471 122.836 120.400 -0.058 0.000 2.234 331 K HA 0.337 4.660 4.320 0.004 0.000 0.277 331 K C -0.384 176.194 176.600 -0.038 0.000 1.038 331 K CA 0.006 56.269 56.287 -0.040 0.000 0.888 331 K CB 1.407 33.891 32.500 -0.026 0.000 1.091 331 K HN 0.815 nan 8.250 nan 0.000 0.467 332 M N 5.705 125.286 119.600 -0.033 0.000 2.077 332 M HA 0.193 4.676 4.480 0.004 0.000 0.348 332 M C 0.194 176.492 176.300 -0.002 0.000 1.252 332 M CA -0.158 55.126 55.300 -0.026 0.000 1.096 332 M CB 0.528 33.112 32.600 -0.027 0.000 1.568 332 M HN 0.715 nan 8.290 nan 0.000 0.456 333 I N 3.147 123.720 120.570 0.006 0.000 2.333 333 I HA -0.072 4.101 4.170 0.004 0.000 0.246 333 I C 0.578 176.717 176.117 0.037 0.000 1.106 333 I CA 0.914 62.226 61.300 0.020 0.000 1.411 333 I CB 0.034 38.050 38.000 0.026 0.000 1.082 333 I HN 0.635 nan 8.210 nan 0.000 0.420 334 R N 0.483 121.012 120.500 0.048 0.000 2.795 334 R HA 0.411 4.753 4.340 0.004 0.000 0.275 334 R C -2.629 173.723 176.300 0.088 0.000 0.981 334 R CA -1.825 54.324 56.100 0.082 0.000 0.917 334 R CB 1.528 31.899 30.300 0.118 0.000 1.202 334 R HN -0.175 nan 8.270 nan 0.000 0.469 335 P HA 0.116 nan 4.420 nan 0.000 0.281 335 P C -0.279 177.131 177.300 0.183 0.000 1.249 335 P CA -0.371 62.816 63.100 0.146 0.000 0.810 335 P CB 0.903 32.704 31.700 0.168 0.000 1.008 336 G N 1.401 110.280 108.800 0.132 0.000 2.483 336 G HA2 0.461 4.424 3.960 0.004 0.000 0.248 336 G HA3 0.461 4.424 3.960 0.004 0.000 0.248 336 G C -0.979 174.013 174.900 0.154 0.000 1.248 336 G CA -0.193 44.940 45.100 0.054 0.000 0.838 336 G HN 0.633 nan 8.290 nan 0.000 0.566 337 Y N -1.455 118.899 120.300 0.089 0.000 2.689 337 Y HA 0.785 5.338 4.550 0.004 0.000 0.333 337 Y C -0.242 175.718 175.900 0.099 0.000 1.190 337 Y CA -1.540 56.624 58.100 0.107 0.000 1.063 337 Y CB 1.084 39.623 38.460 0.131 0.000 1.294 337 Y HN 0.788 nan 8.280 nan 0.000 0.466 338 A N 1.388 124.463 122.820 0.425 0.000 2.355 338 A HA 0.735 5.057 4.320 0.004 0.000 0.324 338 A C -1.782 176.074 177.584 0.455 0.000 1.117 338 A CA -0.748 51.478 52.037 0.315 0.000 0.785 338 A CB 1.284 20.390 19.000 0.176 0.000 1.254 338 A HN 0.821 nan 8.150 nan 0.000 0.453 339 I N 0.769 121.558 120.570 0.366 0.000 2.362 339 I HA 0.417 4.589 4.170 0.004 0.000 0.289 339 I C -0.147 176.192 176.117 0.369 0.000 0.994 339 I CA -0.085 61.426 61.300 0.352 0.000 1.158 339 I CB 1.284 39.447 38.000 0.273 0.000 1.315 339 I HN 0.726 nan 8.210 nan 0.000 0.451 340 E N 7.082 127.494 120.200 0.354 0.000 2.175 340 E HA 0.466 4.819 4.350 0.004 0.000 0.278 340 E C -1.833 174.936 176.600 0.282 0.000 0.969 340 E CA -0.582 55.973 56.400 0.258 0.000 0.796 340 E CB 1.127 30.969 29.700 0.237 0.000 1.104 340 E HN 0.577 nan 8.360 nan 0.000 0.395 341 Y N 0.502 120.848 120.300 0.076 0.000 2.625 341 Y HA 0.445 4.998 4.550 0.005 0.000 0.338 341 Y C -1.176 174.764 175.900 0.068 0.000 1.123 341 Y CA -1.590 56.543 58.100 0.055 0.000 1.046 341 Y CB 0.689 39.163 38.460 0.023 0.000 1.299 341 Y HN 0.194 nan 8.280 nan 0.000 0.464 342 D N 2.460 122.925 120.400 0.108 0.000 2.308 342 D HA 0.352 4.994 4.640 0.004 0.000 0.251 342 D C -0.810 175.444 176.300 -0.076 0.000 1.127 342 D CA 0.353 54.312 54.000 -0.069 0.000 0.876 342 D CB 0.923 41.590 40.800 -0.223 0.000 1.176 342 D HN 0.579 nan 8.370 nan 0.000 0.446 343 F N -0.024 119.698 119.950 -0.381 0.000 2.588 343 F HA 0.679 5.208 4.527 0.004 0.000 0.314 343 F C -1.529 173.929 175.800 -0.569 0.000 1.069 343 F CA -1.406 56.377 58.000 -0.362 0.000 0.931 343 F CB 0.980 39.870 39.000 -0.184 0.000 1.260 343 F HN 0.028 nan 8.300 nan 0.000 0.465 344 F N 1.718 121.604 119.950 -0.106 0.000 2.411 344 F HA 0.375 4.904 4.527 0.004 0.000 0.352 344 F C 0.091 175.816 175.800 -0.126 0.000 1.123 344 F CA -0.710 57.190 58.000 -0.165 0.000 1.044 344 F CB 0.707 39.798 39.000 0.151 0.000 1.135 344 F HN 0.551 nan 8.300 nan 0.000 0.461 345 H N 4.241 123.198 119.070 -0.190 0.000 3.157 345 H HA -0.008 4.551 4.556 0.005 0.000 0.299 345 H C -1.716 173.377 175.328 -0.392 0.000 0.961 345 H CA -0.744 55.017 56.048 -0.479 0.000 1.428 345 H CB 0.078 28.945 29.762 -1.492 0.000 1.459 345 H HN 0.378 nan 8.280 nan 0.000 0.566 346 P HA -0.147 nan 4.420 nan 0.000 0.234 346 P C 0.665 178.064 177.300 0.164 0.000 1.167 346 P CA 0.692 63.876 63.100 0.140 0.000 0.763 346 P CB -0.049 31.760 31.700 0.182 0.000 0.835 347 W N -0.110 121.322 121.300 0.219 0.000 2.584 347 W HA 0.040 4.703 4.660 0.005 0.000 0.264 347 W C 1.423 178.012 176.519 0.116 0.000 1.264 347 W CA 0.534 57.964 57.345 0.142 0.000 1.306 347 W CB -1.690 27.840 29.460 0.116 0.000 1.110 347 W HN -0.035 nan 8.180 nan 0.000 0.606 348 Q N 1.230 121.042 119.800 0.021 0.000 2.436 348 Q HA 0.034 4.377 4.340 0.004 0.000 0.209 348 Q C 0.836 176.862 176.000 0.044 0.000 0.965 348 Q CA 0.763 56.610 55.803 0.073 0.000 0.910 348 Q CB -0.248 28.516 28.738 0.043 0.000 0.980 348 Q HN 0.609 nan 8.270 nan 0.000 0.491 349 I N -2.616 117.988 120.570 0.056 0.000 2.607 349 I HA 0.434 4.607 4.170 0.004 0.000 0.305 349 I C -0.162 175.979 176.117 0.041 0.000 0.995 349 I CA -1.243 60.056 61.300 -0.002 0.000 1.148 349 I CB 1.545 39.555 38.000 0.017 0.000 1.323 349 I HN -0.253 nan 8.210 nan 0.000 0.461 350 R N 2.141 122.638 120.500 -0.005 0.000 2.652 350 R HA 0.225 4.568 4.340 0.004 0.000 0.271 350 R C 1.278 177.611 176.300 0.055 0.000 1.129 350 R CA -0.148 55.967 56.100 0.025 0.000 1.200 350 R CB 0.805 31.096 30.300 -0.015 0.000 1.146 350 R HN 0.818 nan 8.270 nan 0.000 0.581 351 S N -0.581 115.161 115.700 0.071 0.000 2.442 351 S HA -0.132 4.341 4.470 0.004 0.000 0.236 351 S C 1.592 176.243 174.600 0.087 0.000 1.007 351 S CA 1.718 59.968 58.200 0.084 0.000 0.965 351 S CB -0.064 63.191 63.200 0.091 0.000 0.773 351 S HN 0.652 nan 8.310 nan 0.000 0.504 352 T N 0.907 115.504 114.554 0.072 0.000 3.129 352 T HA 0.193 4.546 4.350 0.004 0.000 0.251 352 T C 0.833 175.629 174.700 0.161 0.000 1.117 352 T CA 0.483 62.644 62.100 0.101 0.000 1.034 352 T CB -0.322 68.590 68.868 0.074 0.000 0.968 352 T HN 0.353 nan 8.240 nan 0.000 0.526 353 M N 0.073 119.748 119.600 0.125 0.000 2.961 353 M HA -0.135 4.348 4.480 0.004 0.000 0.198 353 M C 0.123 176.437 176.300 0.022 0.000 0.610 353 M CA 0.737 56.143 55.300 0.177 0.000 0.755 353 M CB -1.900 30.886 32.600 0.310 0.000 2.707 353 M HN 0.496 nan 8.290 nan 0.000 0.299 354 E N 1.826 121.853 120.200 -0.287 0.000 2.343 354 E HA 0.343 4.696 4.350 0.004 0.000 0.269 354 E C 0.353 176.701 176.600 -0.420 0.000 1.047 354 E CA 0.347 56.276 56.400 -0.785 0.000 0.874 354 E CB 1.106 30.328 29.700 -0.797 0.000 1.033 354 E HN 0.333 nan 8.360 nan 0.000 0.409 355 T N 1.321 115.601 114.554 -0.456 0.000 2.909 355 T HA 0.291 4.643 4.350 0.004 0.000 0.289 355 T C 0.934 175.513 174.700 -0.202 0.000 1.005 355 T CA -0.579 61.330 62.100 -0.317 0.000 1.084 355 T CB 1.524 70.180 68.868 -0.353 0.000 0.975 355 T HN 0.532 nan 8.240 nan 0.000 0.509 356 R N 1.517 121.931 120.500 -0.144 0.000 2.061 356 R HA 0.047 4.390 4.340 0.004 0.000 0.230 356 R C -0.530 175.679 176.300 -0.152 0.000 1.140 356 R CA 1.144 57.176 56.100 -0.113 0.000 0.940 356 R CB -1.523 28.743 30.300 -0.056 0.000 0.839 356 R HN 0.537 nan 8.270 nan 0.000 0.429 357 P HA -0.115 nan 4.420 nan 0.000 0.218 357 P C -0.199 177.011 177.300 -0.149 0.000 1.146 357 P CA 1.127 64.030 63.100 -0.329 0.000 0.813 357 P CB 0.298 31.471 31.700 -0.879 0.000 0.778 358 V N -1.137 118.737 119.914 -0.067 0.000 2.655 358 V HA 0.270 4.392 4.120 0.004 0.000 0.301 358 V C -0.792 175.291 176.094 -0.018 0.000 1.082 358 V CA -1.135 61.175 62.300 0.017 0.000 0.899 358 V CB 1.831 33.735 31.823 0.134 0.000 1.014 358 V HN -0.123 nan 8.190 nan 0.000 0.429 359 E N 5.224 125.422 120.200 -0.004 0.000 2.398 359 E HA 0.205 4.558 4.350 0.004 0.000 0.263 359 E C 0.611 177.232 176.600 0.036 0.000 1.046 359 E CA 0.591 56.977 56.400 -0.022 0.000 0.908 359 E CB 0.339 30.046 29.700 0.012 0.000 0.963 359 E HN 0.875 nan 8.360 nan 0.000 0.431 360 N N 0.733 119.429 118.700 -0.007 0.000 2.863 360 N HA -0.237 4.505 4.740 0.004 0.000 0.245 360 N C -0.914 174.660 175.510 0.106 0.000 1.001 360 N CA 0.742 53.889 53.050 0.161 0.000 0.901 360 N CB -1.171 37.472 38.487 0.259 0.000 1.124 360 N HN 0.334 nan 8.380 nan 0.000 0.582 361 L N 1.022 122.195 121.223 -0.082 0.000 2.280 361 L HA 0.565 4.908 4.340 0.004 0.000 0.287 361 L C -0.773 175.989 176.870 -0.180 0.000 1.023 361 L CA -0.428 54.362 54.840 -0.084 0.000 0.819 361 L CB 0.482 42.513 42.059 -0.046 0.000 1.212 361 L HN -0.047 nan 8.230 nan 0.000 0.420 362 F N 4.593 124.514 119.950 -0.048 0.000 2.480 362 F HA 0.568 5.097 4.527 0.005 0.000 0.329 362 F C -0.409 175.570 175.800 0.297 0.000 1.091 362 F CA -0.540 57.483 58.000 0.037 0.000 0.972 362 F CB 1.401 40.416 39.000 0.025 0.000 1.150 362 F HN 0.153 nan 8.300 nan 0.000 0.467 363 F N 1.806 121.826 119.950 0.117 0.000 2.467 363 F HA 0.746 5.276 4.527 0.004 0.000 0.336 363 F C -0.049 175.822 175.800 0.119 0.000 1.123 363 F CA -1.841 56.199 58.000 0.067 0.000 0.964 363 F CB 1.394 40.409 39.000 0.025 0.000 1.136 363 F HN 0.505 nan 8.300 nan 0.000 0.447 364 A N 2.084 125.051 122.820 0.245 0.000 2.427 364 A HA 0.856 5.179 4.320 0.004 0.000 0.298 364 A C 0.014 177.682 177.584 0.140 0.000 1.036 364 A CA 0.034 52.183 52.037 0.187 0.000 0.701 364 A CB 1.376 20.471 19.000 0.158 0.000 1.250 364 A HN 1.561 nan 8.150 nan 0.000 0.412 365 G N 0.756 109.644 108.800 0.147 0.000 2.416 365 G HA2 -0.022 3.941 3.960 0.004 0.000 0.203 365 G HA3 -0.022 3.941 3.960 0.004 0.000 0.203 365 G C 0.620 175.591 174.900 0.119 0.000 1.227 365 G CA 0.572 45.747 45.100 0.126 0.000 1.041 365 G HN 1.181 nan 8.290 nan 0.000 0.546 366 Q N -0.349 119.499 119.800 0.081 0.000 2.291 366 Q HA 0.177 4.519 4.340 0.004 0.000 0.206 366 Q C 2.494 178.593 176.000 0.165 0.000 0.976 366 Q CA 1.987 57.827 55.803 0.062 0.000 0.875 366 Q CB -0.245 28.435 28.738 -0.097 0.000 0.927 366 Q HN 0.578 nan 8.270 nan 0.000 0.450 367 I N 0.218 120.878 120.570 0.151 0.000 2.614 367 I HA -0.210 3.963 4.170 0.004 0.000 0.258 367 I C 0.423 176.718 176.117 0.296 0.000 1.189 367 I CA 0.694 62.113 61.300 0.199 0.000 1.462 367 I CB 0.073 38.106 38.000 0.055 0.000 1.092 367 I HN 0.219 nan 8.210 nan 0.000 0.442 368 N N 1.147 120.009 118.700 0.269 0.000 2.313 368 N HA 0.105 4.847 4.740 0.004 0.000 0.207 368 N C 1.038 176.691 175.510 0.238 0.000 1.141 368 N CA 0.843 54.076 53.050 0.305 0.000 0.830 368 N CB 0.432 39.077 38.487 0.264 0.000 1.008 368 N HN 0.385 nan 8.380 nan 0.000 0.481 369 G N 0.743 109.647 108.800 0.173 0.000 2.198 369 G HA2 -0.287 3.676 3.960 0.004 0.000 0.260 369 G HA3 -0.287 3.676 3.960 0.004 0.000 0.260 369 G C 0.322 175.202 174.900 -0.033 0.000 1.025 369 G CA 1.103 46.117 45.100 -0.144 0.000 0.769 369 G HN 0.497 nan 8.290 nan 0.000 0.507 370 T N -1.030 113.576 114.554 0.087 0.000 2.912 370 T HA 0.763 5.115 4.350 0.004 0.000 0.280 370 T C 0.381 175.119 174.700 0.064 0.000 0.989 370 T CA 0.699 62.868 62.100 0.114 0.000 0.995 370 T CB 1.594 70.558 68.868 0.159 0.000 1.077 370 T HN 1.631 nan 8.240 nan 0.000 0.531 371 S N 0.460 116.175 115.700 0.025 0.000 2.547 371 S HA 0.820 5.293 4.470 0.004 0.000 0.281 371 S C -0.290 174.249 174.600 -0.101 0.000 1.118 371 S CA 0.042 58.217 58.200 -0.041 0.000 0.947 371 S CB 1.157 64.331 63.200 -0.043 0.000 1.053 371 S HN 1.821 nan 8.310 nan 0.000 0.482 372 G N 1.775 110.464 108.800 -0.185 0.000 2.326 372 G HA2 0.228 4.191 3.960 0.004 0.000 0.478 372 G HA3 0.228 4.191 3.960 0.004 0.000 0.478 372 G C -0.587 174.149 174.900 -0.272 0.000 1.551 372 G CA -0.539 44.381 45.100 -0.300 0.000 0.946 372 G HN 0.619 nan 8.290 nan 0.000 0.671 373 Y N 0.667 120.803 120.300 -0.273 0.000 2.133 373 Y HA 0.030 4.584 4.550 0.006 0.000 0.287 373 Y C 2.782 178.563 175.900 -0.198 0.000 1.134 373 Y CA 2.013 59.844 58.100 -0.449 0.000 1.133 373 Y CB -0.572 37.401 38.460 -0.811 0.000 0.987 373 Y HN 0.691 nan 8.280 nan 0.000 0.502 374 E N 0.524 120.728 120.200 0.007 0.000 2.058 374 E HA -0.203 4.149 4.350 0.004 0.000 0.194 374 E C 1.955 178.592 176.600 0.062 0.000 0.997 374 E CA 1.690 58.116 56.400 0.043 0.000 0.801 374 E CB -0.327 29.387 29.700 0.024 0.000 0.746 374 E HN 0.460 nan 8.360 nan 0.000 0.450 375 E N 0.433 120.652 120.200 0.033 0.000 2.085 375 E HA -0.180 4.173 4.350 0.004 0.000 0.194 375 E C 1.951 178.610 176.600 0.098 0.000 0.994 375 E CA 1.437 57.878 56.400 0.068 0.000 0.801 375 E CB -0.289 29.436 29.700 0.042 0.000 0.743 375 E HN 0.333 nan 8.360 nan 0.000 0.453 376 A N 0.814 123.687 122.820 0.088 0.000 1.898 376 A HA -0.009 4.313 4.320 0.004 0.000 0.216 376 A C 2.356 180.030 177.584 0.150 0.000 1.181 376 A CA 1.617 53.729 52.037 0.126 0.000 0.620 376 A CB -0.807 18.278 19.000 0.141 0.000 0.819 376 A HN 0.287 nan 8.150 nan 0.000 0.442 377 A N 0.044 122.961 122.820 0.161 0.000 1.902 377 A HA 0.129 4.452 4.320 0.004 0.000 0.217 377 A C 2.508 180.174 177.584 0.137 0.000 1.181 377 A CA 2.176 54.315 52.037 0.169 0.000 0.623 377 A CB -1.069 18.040 19.000 0.180 0.000 0.818 377 A HN 1.078 nan 8.150 nan 0.000 0.443 378 A N -0.792 122.106 122.820 0.130 0.000 1.940 378 A HA -0.230 4.093 4.320 0.004 0.000 0.219 378 A C 2.126 179.786 177.584 0.127 0.000 1.176 378 A CA 1.784 53.897 52.037 0.127 0.000 0.631 378 A CB -0.546 18.533 19.000 0.132 0.000 0.814 378 A HN 0.676 nan 8.150 nan 0.000 0.446 379 Q N -0.875 119.006 119.800 0.135 0.000 2.046 379 Q HA -0.057 4.285 4.340 0.004 0.000 0.200 379 Q C 2.288 178.366 176.000 0.131 0.000 0.975 379 Q CA 1.109 56.998 55.803 0.142 0.000 0.836 379 Q CB -0.490 28.341 28.738 0.156 0.000 0.896 379 Q HN 0.670 nan 8.270 nan 0.000 0.428 380 G N 1.351 110.223 108.800 0.120 0.000 2.476 380 G HA2 -0.289 3.674 3.960 0.004 0.000 0.218 380 G HA3 -0.289 3.674 3.960 0.004 0.000 0.218 380 G C 1.381 176.321 174.900 0.068 0.000 1.164 380 G CA 0.616 45.772 45.100 0.094 0.000 0.768 380 G HN 0.240 nan 8.290 nan 0.000 0.560 381 L N -0.271 120.999 121.223 0.079 0.000 1.989 381 L HA -0.124 4.219 4.340 0.004 0.000 0.211 381 L C 3.068 179.969 176.870 0.052 0.000 1.071 381 L CA 1.393 56.271 54.840 0.064 0.000 0.749 381 L CB -0.187 41.921 42.059 0.082 0.000 0.890 381 L HN 0.185 nan 8.230 nan 0.000 0.431 382 M N -0.702 118.944 119.600 0.077 0.000 2.099 382 M HA -0.151 4.332 4.480 0.004 0.000 0.262 382 M C 2.538 178.880 176.300 0.070 0.000 1.067 382 M CA 1.872 57.221 55.300 0.082 0.000 1.124 382 M CB -1.696 30.971 32.600 0.111 0.000 1.353 382 M HN 0.335 nan 8.290 nan 0.000 0.410 383 A N 0.590 123.464 122.820 0.090 0.000 1.917 383 A HA -0.094 4.228 4.320 0.004 0.000 0.219 383 A C 2.461 179.916 177.584 -0.215 0.000 1.182 383 A CA 2.303 54.374 52.037 0.057 0.000 0.633 383 A CB -1.563 17.517 19.000 0.133 0.000 0.819 383 A HN 0.526 nan 8.150 nan 0.000 0.448 384 G N 0.019 108.745 108.800 -0.125 0.000 2.480 384 G HA2 -0.217 3.746 3.960 0.004 0.000 0.216 384 G HA3 -0.217 3.746 3.960 0.004 0.000 0.216 384 G C 1.535 176.340 174.900 -0.158 0.000 1.200 384 G CA 1.151 46.157 45.100 -0.155 0.000 0.782 384 G HN 0.479 nan 8.290 nan 0.000 0.554 385 I N 1.296 121.819 120.570 -0.077 0.000 2.113 385 I HA -0.268 3.904 4.170 0.004 0.000 0.242 385 I C 2.440 178.518 176.117 -0.065 0.000 1.064 385 I CA 1.375 62.645 61.300 -0.049 0.000 1.320 385 I CB -0.273 37.725 38.000 -0.002 0.000 1.028 385 I HN 0.106 nan 8.210 nan 0.000 0.406 386 N N 0.801 119.463 118.700 -0.063 0.000 2.381 386 N HA -0.066 4.676 4.740 0.004 0.000 0.182 386 N C 1.800 177.232 175.510 -0.131 0.000 1.025 386 N CA 1.315 54.371 53.050 0.011 0.000 0.888 386 N CB -0.293 38.332 38.487 0.231 0.000 0.965 386 N HN 0.394 nan 8.380 nan 0.000 0.438 387 A N 0.610 123.099 122.820 -0.551 0.000 1.930 387 A HA -0.049 4.274 4.320 0.004 0.000 0.217 387 A C 2.402 179.880 177.584 -0.177 0.000 1.175 387 A CA 1.081 52.763 52.037 -0.593 0.000 0.627 387 A CB -0.562 17.985 19.000 -0.754 0.000 0.815 387 A HN 0.090 nan 8.150 nan 0.000 0.443 388 V N 0.280 120.115 119.914 -0.131 0.000 2.307 388 V HA -0.228 3.894 4.120 0.004 0.000 0.245 388 V C 2.648 178.735 176.094 -0.013 0.000 1.045 388 V CA 1.912 64.181 62.300 -0.051 0.000 1.024 388 V CB -0.879 30.916 31.823 -0.046 0.000 0.651 388 V HN 0.447 nan 8.190 nan 0.000 0.449 389 R N 0.438 120.935 120.500 -0.005 0.000 2.091 389 R HA -0.188 4.155 4.340 0.004 0.000 0.238 389 R C 2.308 178.638 176.300 0.051 0.000 1.136 389 R CA 1.663 57.778 56.100 0.025 0.000 0.959 389 R CB -0.520 29.802 30.300 0.036 0.000 0.856 389 R HN 0.437 nan 8.270 nan 0.000 0.437 390 K N 1.011 121.461 120.400 0.083 0.000 2.026 390 K HA -0.041 4.282 4.320 0.004 0.000 0.208 390 K C 2.076 178.727 176.600 0.086 0.000 1.048 390 K CA 1.144 57.501 56.287 0.116 0.000 0.929 390 K CB -0.271 32.361 32.500 0.219 0.000 0.713 390 K HN 0.066 nan 8.250 nan 0.000 0.439 391 I N 0.276 120.889 120.570 0.072 0.000 2.226 391 I HA -0.246 3.927 4.170 0.004 0.000 0.245 391 I C 1.638 177.783 176.117 0.047 0.000 1.100 391 I CA 0.651 61.987 61.300 0.061 0.000 1.374 391 I CB -0.175 37.858 38.000 0.054 0.000 1.057 391 I HN 0.125 nan 8.210 nan 0.000 0.413 392 L N 0.478 121.723 121.223 0.037 0.000 2.291 392 L HA 0.026 4.368 4.340 0.004 0.000 0.214 392 L C 1.767 178.656 176.870 0.032 0.000 1.120 392 L CA 1.512 56.370 54.840 0.030 0.000 0.799 392 L CB -1.285 40.786 42.059 0.019 0.000 0.925 392 L HN 0.465 nan 8.230 nan 0.000 0.446 393 G N -0.705 108.118 108.800 0.039 0.000 2.137 393 G HA2 -0.328 3.634 3.960 0.004 0.000 0.237 393 G HA3 -0.328 3.634 3.960 0.004 0.000 0.237 393 G C 0.640 175.559 174.900 0.032 0.000 1.002 393 G CA 0.593 45.715 45.100 0.037 0.000 0.702 393 G HN 0.354 nan 8.290 nan 0.000 0.515 394 K N 0.171 120.590 120.400 0.031 0.000 2.179 394 K HA 0.484 4.806 4.320 0.004 0.000 0.238 394 K C 0.530 177.148 176.600 0.030 0.000 1.033 394 K CA -0.510 55.792 56.287 0.026 0.000 0.926 394 K CB 0.371 32.882 32.500 0.019 0.000 1.151 394 K HN 0.300 nan 8.250 nan 0.000 0.492 395 E N 1.327 121.543 120.200 0.026 0.000 2.344 395 E HA 0.093 4.445 4.350 0.004 0.000 0.270 395 E C -0.575 176.046 176.600 0.035 0.000 1.021 395 E CA -0.043 56.373 56.400 0.026 0.000 0.887 395 E CB 0.415 30.128 29.700 0.021 0.000 0.997 395 E HN 0.271 nan 8.360 nan 0.000 0.429 396 L N 2.837 124.085 121.223 0.042 0.000 2.436 396 L HA 0.270 4.613 4.340 0.004 0.000 0.265 396 L C -0.033 176.866 176.870 0.049 0.000 1.168 396 L CA -0.601 54.275 54.840 0.061 0.000 0.815 396 L CB 0.289 42.397 42.059 0.083 0.000 1.109 396 L HN 0.468 nan 8.230 nan 0.000 0.462 397 I N 1.939 122.545 120.570 0.061 0.000 2.339 397 I HA 0.291 4.464 4.170 0.004 0.000 0.290 397 I C -0.290 175.866 176.117 0.064 0.000 0.994 397 I CA -0.093 61.240 61.300 0.055 0.000 1.191 397 I CB 1.724 39.756 38.000 0.053 0.000 1.343 397 I HN 0.115 nan 8.210 nan 0.000 0.458 398 V N 7.217 127.163 119.914 0.054 0.000 2.487 398 V HA 0.443 4.565 4.120 0.004 0.000 0.298 398 V C 0.001 176.131 176.094 0.060 0.000 1.028 398 V CA -0.760 61.577 62.300 0.062 0.000 0.860 398 V CB 1.741 33.598 31.823 0.056 0.000 0.991 398 V HN 0.448 nan 8.190 nan 0.000 0.427 399 L N 3.763 125.026 121.223 0.066 0.000 2.350 399 L HA 0.642 4.984 4.340 0.004 0.000 0.275 399 L C 1.055 177.953 176.870 0.047 0.000 1.099 399 L CA -0.023 54.853 54.840 0.059 0.000 0.808 399 L CB 1.038 43.139 42.059 0.070 0.000 1.149 399 L HN 0.778 nan 8.230 nan 0.000 0.442 400 G N 1.243 110.063 108.800 0.033 0.000 2.476 400 G HA2 0.305 4.268 3.960 0.004 0.000 0.286 400 G HA3 0.305 4.268 3.960 0.004 0.000 0.286 400 G C 0.560 175.440 174.900 -0.034 0.000 1.177 400 G CA -0.606 44.499 45.100 0.009 0.000 0.870 400 G HN 0.733 nan 8.290 nan 0.000 0.528 401 R N -0.075 120.371 120.500 -0.090 0.000 2.328 401 R HA -0.020 4.322 4.340 0.004 0.000 0.207 401 R C 0.911 177.022 176.300 -0.315 0.000 1.056 401 R CA 1.211 57.190 56.100 -0.201 0.000 1.016 401 R CB 0.214 30.358 30.300 -0.261 0.000 0.872 401 R HN 0.671 nan 8.270 nan 0.000 0.471 402 D N -0.579 119.714 120.400 -0.179 0.000 2.379 402 D HA -0.060 4.583 4.640 0.004 0.000 0.208 402 D C 1.433 177.730 176.300 -0.005 0.000 1.065 402 D CA 0.211 54.163 54.000 -0.080 0.000 0.848 402 D CB 0.108 40.916 40.800 0.013 0.000 0.949 402 D HN 0.160 nan 8.370 nan 0.000 0.509 403 Q N 0.063 119.859 119.800 -0.007 0.000 2.226 403 Q HA 0.389 4.731 4.340 0.004 0.000 0.199 403 Q C 0.325 176.359 176.000 0.057 0.000 0.945 403 Q CA 0.817 56.639 55.803 0.032 0.000 0.861 403 Q CB 0.687 29.447 28.738 0.037 0.000 0.953 403 Q HN 0.305 nan 8.270 nan 0.000 0.490 404 A N -1.438 121.413 122.820 0.050 0.000 2.604 404 A HA 0.355 4.678 4.320 0.004 0.000 0.295 404 A C -0.966 176.681 177.584 0.105 0.000 1.067 404 A CA -0.657 51.453 52.037 0.121 0.000 0.683 404 A CB 0.028 19.110 19.000 0.137 0.000 1.281 404 A HN 0.216 nan 8.150 nan 0.000 0.407 405 Y N 0.866 121.208 120.300 0.071 0.000 2.256 405 Y HA -0.193 4.360 4.550 0.005 0.000 0.288 405 Y C 2.048 178.000 175.900 0.086 0.000 1.155 405 Y CA 2.350 60.496 58.100 0.076 0.000 1.203 405 Y CB -0.260 38.250 38.460 0.084 0.000 0.980 405 Y HN 0.655 nan 8.280 nan 0.000 0.530 406 I N -0.869 119.847 120.570 0.243 0.000 2.286 406 I HA -0.270 3.903 4.170 0.004 0.000 0.248 406 I C 2.631 178.829 176.117 0.134 0.000 1.115 406 I CA 1.368 62.775 61.300 0.178 0.000 1.392 406 I CB -0.834 37.259 38.000 0.156 0.000 1.065 406 I HN 0.263 nan 8.210 nan 0.000 0.418 407 G N 0.600 109.460 108.800 0.100 0.000 2.404 407 G HA2 -0.164 3.799 3.960 0.004 0.000 0.215 407 G HA3 -0.164 3.799 3.960 0.004 0.000 0.215 407 G C 1.716 176.641 174.900 0.041 0.000 1.174 407 G CA 0.799 45.935 45.100 0.060 0.000 0.780 407 G HN 0.225 nan 8.290 nan 0.000 0.537 408 V N 0.954 120.879 119.914 0.018 0.000 2.287 408 V HA -0.172 3.951 4.120 0.004 0.000 0.248 408 V C 2.689 178.835 176.094 0.087 0.000 1.053 408 V CA 1.785 64.088 62.300 0.006 0.000 1.027 408 V CB -0.592 31.198 31.823 -0.055 0.000 0.646 408 V HN 0.400 nan 8.190 nan 0.000 0.447 409 L N -0.497 120.824 121.223 0.162 0.000 1.989 409 L HA -0.217 4.126 4.340 0.004 0.000 0.211 409 L C 2.333 179.295 176.870 0.152 0.000 1.071 409 L CA 2.012 57.000 54.840 0.247 0.000 0.749 409 L CB -0.238 41.977 42.059 0.259 0.000 0.890 409 L HN 0.214 nan 8.230 nan 0.000 0.431 410 I N -0.204 120.440 120.570 0.124 0.000 2.286 410 I HA -0.300 3.872 4.170 0.004 0.000 0.248 410 I C 2.074 178.230 176.117 0.064 0.000 1.115 410 I CA 1.558 62.919 61.300 0.102 0.000 1.392 410 I CB -0.351 37.714 38.000 0.109 0.000 1.065 410 I HN 0.415 nan 8.210 nan 0.000 0.418 411 D N 0.987 121.414 120.400 0.046 0.000 2.097 411 D HA -0.208 4.434 4.640 0.004 0.000 0.197 411 D C 1.711 177.997 176.300 -0.023 0.000 0.984 411 D CA 1.442 55.454 54.000 0.021 0.000 0.826 411 D CB 0.018 40.825 40.800 0.010 0.000 0.973 411 D HN 0.150 nan 8.370 nan 0.000 0.460 412 D N -0.200 120.160 120.400 -0.067 0.000 2.178 412 D HA -0.117 4.526 4.640 0.004 0.000 0.201 412 D C 2.056 178.176 176.300 -0.301 0.000 0.980 412 D CA 0.265 54.143 54.000 -0.204 0.000 0.842 412 D CB -0.180 40.447 40.800 -0.288 0.000 0.948 412 D HN 0.235 nan 8.370 nan 0.000 0.472 413 L N 0.723 121.820 121.223 -0.211 0.000 1.961 413 L HA -0.150 4.192 4.340 0.004 0.000 0.210 413 L C 2.352 179.219 176.870 -0.004 0.000 1.072 413 L CA 1.433 56.199 54.840 -0.125 0.000 0.749 413 L CB -0.438 41.636 42.059 0.026 0.000 0.889 413 L HN 0.110 nan 8.230 nan 0.000 0.432 414 I N -3.595 117.007 120.570 0.053 0.000 2.567 414 I HA -0.198 3.974 4.170 0.004 0.000 0.257 414 I C 2.018 178.210 176.117 0.124 0.000 1.184 414 I CA 1.357 62.728 61.300 0.119 0.000 1.451 414 I CB -0.649 37.423 38.000 0.121 0.000 1.089 414 I HN 0.176 nan 8.210 nan 0.000 0.441 415 T N 0.277 114.856 114.554 0.043 0.000 2.896 415 T HA 0.002 4.354 4.350 0.004 0.000 0.238 415 T C 0.815 175.514 174.700 -0.002 0.000 1.045 415 T CA 0.296 62.403 62.100 0.012 0.000 1.248 415 T CB -0.093 68.752 68.868 -0.039 0.000 0.955 415 T HN 0.169 nan 8.240 nan 0.000 0.416 416 K N 2.862 123.219 120.400 -0.072 0.000 2.351 416 K HA 0.044 4.367 4.320 0.004 0.000 0.287 416 K C -0.654 175.950 176.600 0.007 0.000 1.068 416 K CA 0.080 56.325 56.287 -0.070 0.000 0.998 416 K CB 0.260 32.678 32.500 -0.136 0.000 0.968 416 K HN 0.085 nan 8.250 nan 0.000 0.464 417 E N 3.495 123.757 120.200 0.102 0.000 2.081 417 E HA 0.165 4.518 4.350 0.004 0.000 0.276 417 E C -1.366 175.334 176.600 0.167 0.000 0.950 417 E CA -0.284 56.240 56.400 0.206 0.000 0.776 417 E CB 1.456 31.370 29.700 0.356 0.000 1.094 417 E HN 0.421 nan 8.360 nan 0.000 0.402 418 T N 3.343 117.983 114.554 0.143 0.000 2.916 418 T HA 0.260 4.613 4.350 0.004 0.000 0.305 418 T C 0.498 175.252 174.700 0.090 0.000 1.119 418 T CA -0.657 61.507 62.100 0.106 0.000 1.008 418 T CB 1.022 69.934 68.868 0.073 0.000 1.129 418 T HN 0.535 nan 8.240 nan 0.000 0.480 419 K N 1.012 121.456 120.400 0.074 0.000 2.520 419 K HA -0.046 4.277 4.320 0.004 0.000 0.197 419 K C 0.517 177.101 176.600 -0.026 0.000 1.044 419 K CA 0.965 57.280 56.287 0.046 0.000 0.938 419 K CB 0.158 32.677 32.500 0.031 0.000 0.767 419 K HN 0.528 nan 8.250 nan 0.000 0.481 420 E N 0.516 120.701 120.200 -0.025 0.000 2.227 420 E HA 0.224 4.577 4.350 0.004 0.000 0.268 420 E C -2.598 173.971 176.600 -0.052 0.000 0.907 420 E CA -2.766 53.608 56.400 -0.044 0.000 0.786 420 E CB 1.547 31.247 29.700 -0.000 0.000 1.191 420 E HN -0.152 nan 8.360 nan 0.000 0.411 421 P HA -0.073 nan 4.420 nan 0.000 0.268 421 P C -1.203 176.140 177.300 0.071 0.000 1.204 421 P CA 0.273 63.352 63.100 -0.036 0.000 0.768 421 P CB 0.137 31.828 31.700 -0.015 0.000 0.842 422 Y N 4.151 124.435 120.300 -0.026 0.000 2.480 422 Y HA 0.149 4.701 4.550 0.005 0.000 0.341 422 Y C 0.694 176.611 175.900 0.028 0.000 1.031 422 Y CA -0.123 57.980 58.100 0.006 0.000 1.295 422 Y CB 0.517 38.988 38.460 0.019 0.000 1.162 422 Y HN 0.266 nan 8.280 nan 0.000 0.523 423 R N 5.782 126.041 120.500 -0.401 0.000 2.604 423 R HA 0.266 4.609 4.340 0.004 0.000 0.287 423 R C 0.572 176.521 176.300 -0.585 0.000 0.970 423 R CA -0.935 54.971 56.100 -0.324 0.000 0.946 423 R CB 1.355 31.681 30.300 0.043 0.000 1.127 423 R HN 0.753 nan 8.270 nan 0.000 0.473 424 M N 1.927 121.338 119.600 -0.316 0.000 2.492 424 M HA -0.027 4.455 4.480 0.004 0.000 0.262 424 M C 1.734 177.985 176.300 -0.081 0.000 1.090 424 M CA 1.153 56.322 55.300 -0.218 0.000 1.110 424 M CB -0.440 32.138 32.600 -0.037 0.000 1.407 424 M HN 0.636 nan 8.290 nan 0.000 0.470 425 F N 0.294 120.165 119.950 -0.133 0.000 2.069 425 F HA -0.182 4.347 4.527 0.005 0.000 0.298 425 F C 2.353 178.128 175.800 -0.043 0.000 1.113 425 F CA 1.999 59.955 58.000 -0.073 0.000 1.214 425 F CB -1.413 37.542 39.000 -0.076 0.000 0.978 425 F HN 0.050 nan 8.300 nan 0.000 0.474 426 T N -0.139 113.646 114.554 -1.281 0.000 2.915 426 T HA -0.131 4.221 4.350 0.004 0.000 0.269 426 T C 1.191 175.686 174.700 -0.342 0.000 1.071 426 T CA 0.897 62.466 62.100 -0.884 0.000 1.132 426 T CB -0.861 67.489 68.868 -0.863 0.000 0.878 426 T HN 0.372 nan 8.240 nan 0.000 0.479 427 S N 1.475 117.027 115.700 -0.247 0.000 2.643 427 S HA 0.082 4.554 4.470 0.004 0.000 0.329 427 S C 0.448 175.045 174.600 -0.005 0.000 1.193 427 S CA -0.274 57.895 58.200 -0.052 0.000 1.293 427 S CB -0.332 62.870 63.200 0.002 0.000 1.205 427 S HN 0.328 nan 8.310 nan 0.000 0.550 428 S N 4.996 120.694 115.700 -0.003 0.000 2.945 428 S HA 0.349 4.822 4.470 0.004 0.000 0.227 428 S C 0.621 175.241 174.600 0.033 0.000 1.353 428 S CA -0.240 57.970 58.200 0.018 0.000 1.236 428 S CB -0.373 62.827 63.200 0.000 0.000 1.069 428 S HN 0.957 nan 8.310 nan 0.000 0.509 429 A N 2.169 125.009 122.820 0.034 0.000 2.519 429 A HA -0.043 4.279 4.320 0.004 0.000 0.275 429 A C 1.410 179.016 177.584 0.036 0.000 1.082 429 A CA 0.113 52.151 52.037 0.002 0.000 0.841 429 A CB -0.332 18.578 19.000 -0.150 0.000 0.984 429 A HN 0.828 nan 8.150 nan 0.000 0.531 430 E N 2.091 122.336 120.200 0.074 0.000 2.273 430 E HA -0.210 4.143 4.350 0.004 0.000 0.198 430 E C 0.094 176.687 176.600 -0.010 0.000 1.002 430 E CA 1.446 57.867 56.400 0.036 0.000 0.828 430 E CB -0.353 29.358 29.700 0.018 0.000 0.747 430 E HN 0.839 nan 8.360 nan 0.000 0.491 431 H N 1.046 120.082 119.070 -0.056 0.000 3.205 431 H HA 0.233 4.792 4.556 0.004 0.000 0.262 431 H C 0.534 175.819 175.328 -0.071 0.000 1.333 431 H CA -0.134 55.878 56.048 -0.059 0.000 1.499 431 H CB 0.579 30.291 29.762 -0.083 0.000 1.609 431 H HN 0.197 nan 8.280 nan 0.000 0.498 432 R N 1.519 122.046 120.500 0.046 0.000 2.125 432 R HA 0.076 4.419 4.340 0.004 0.000 0.195 432 R C 2.141 178.480 176.300 0.063 0.000 1.138 432 R CA -0.069 56.070 56.100 0.065 0.000 1.123 432 R CB 0.165 30.491 30.300 0.043 0.000 1.049 432 R HN 0.323 nan 8.270 nan 0.000 0.503 433 L N 1.674 122.908 121.223 0.018 0.000 2.083 433 L HA -0.125 4.217 4.340 0.004 0.000 0.209 433 L C 2.341 179.221 176.870 0.017 0.000 1.083 433 L CA 1.372 56.201 54.840 -0.017 0.000 0.752 433 L CB -0.350 41.692 42.059 -0.027 0.000 0.899 433 L HN 0.283 nan 8.230 nan 0.000 0.433 434 I N -3.344 117.256 120.570 0.049 0.000 3.001 434 I HA -0.157 4.015 4.170 0.004 0.000 0.268 434 I C 1.534 177.702 176.117 0.084 0.000 1.267 434 I CA 1.159 62.498 61.300 0.064 0.000 1.472 434 I CB -0.183 37.865 38.000 0.080 0.000 1.089 434 I HN 0.126 nan 8.210 nan 0.000 0.468 435 L N 1.988 123.280 121.223 0.116 0.000 2.959 435 L HA 0.312 4.655 4.340 0.004 0.000 0.259 435 L C 0.775 177.817 176.870 0.286 0.000 1.185 435 L CA -0.468 54.489 54.840 0.196 0.000 0.998 435 L CB -0.168 41.978 42.059 0.145 0.000 1.337 435 L HN 0.303 nan 8.230 nan 0.000 0.555 436 R N -0.042 120.550 120.500 0.154 0.000 2.758 436 R HA -0.082 4.260 4.340 0.004 0.000 0.263 436 R C 1.454 177.792 176.300 0.064 0.000 1.010 436 R CA 0.264 56.418 56.100 0.090 0.000 1.114 436 R CB 0.055 30.334 30.300 -0.034 0.000 0.985 436 R HN 0.308 nan 8.270 nan 0.000 0.439 437 H N 1.801 120.898 119.070 0.044 0.000 2.390 437 H HA -0.171 4.388 4.556 0.005 0.000 0.298 437 H C 0.415 175.802 175.328 0.099 0.000 1.106 437 H CA 2.022 58.083 56.048 0.021 0.000 1.297 437 H CB -0.112 29.601 29.762 -0.081 0.000 1.375 437 H HN 0.881 nan 8.280 nan 0.000 0.509 438 D N 0.469 120.524 120.400 -0.575 0.000 2.349 438 D HA -0.092 4.551 4.640 0.004 0.000 0.224 438 D C 0.810 177.124 176.300 0.023 0.000 1.029 438 D CA 0.625 54.442 54.000 -0.304 0.000 0.879 438 D CB -0.258 40.235 40.800 -0.513 0.000 0.906 438 D HN 0.616 nan 8.370 nan 0.000 0.528 439 N N -0.576 118.147 118.700 0.038 0.000 2.194 439 N HA 0.247 4.989 4.740 0.004 0.000 0.231 439 N C 1.311 176.828 175.510 0.012 0.000 1.247 439 N CA 0.133 53.193 53.050 0.017 0.000 0.884 439 N CB -0.044 38.440 38.487 -0.005 0.000 1.146 439 N HN 0.112 nan 8.380 nan 0.000 0.516 440 A N 1.630 124.527 122.820 0.130 0.000 1.948 440 A HA -0.285 4.037 4.320 0.004 0.000 0.220 440 A C 1.843 179.389 177.584 -0.063 0.000 1.177 440 A CA 2.097 54.214 52.037 0.134 0.000 0.636 440 A CB -0.686 18.517 19.000 0.338 0.000 0.815 440 A HN 0.589 nan 8.150 nan 0.000 0.449 441 D N 0.687 120.818 120.400 -0.450 0.000 2.097 441 D HA -0.175 4.467 4.640 0.004 0.000 0.197 441 D C 1.867 178.003 176.300 -0.274 0.000 0.984 441 D CA 1.566 55.211 54.000 -0.592 0.000 0.826 441 D CB -0.950 39.087 40.800 -1.272 0.000 0.973 441 D HN 0.508 nan 8.370 nan 0.000 0.460 442 L N -0.097 120.998 121.223 -0.215 0.000 2.042 442 L HA -0.095 4.248 4.340 0.004 0.000 0.210 442 L C 3.000 179.838 176.870 -0.054 0.000 1.076 442 L CA 1.309 56.084 54.840 -0.108 0.000 0.749 442 L CB -0.605 41.411 42.059 -0.072 0.000 0.893 442 L HN -0.078 nan 8.230 nan 0.000 0.432 443 R N 0.211 120.691 120.500 -0.033 0.000 2.075 443 R HA -0.061 4.281 4.340 0.004 0.000 0.232 443 R C 2.035 178.343 176.300 0.014 0.000 1.126 443 R CA 1.272 57.376 56.100 0.007 0.000 0.963 443 R CB -0.163 30.159 30.300 0.036 0.000 0.858 443 R HN 0.359 nan 8.270 nan 0.000 0.435 444 L N -1.472 119.755 121.223 0.006 0.000 2.672 444 L HA 0.217 4.559 4.340 0.004 0.000 0.236 444 L C 2.064 178.946 176.870 0.021 0.000 1.092 444 L CA -0.174 54.683 54.840 0.029 0.000 0.887 444 L CB 0.084 42.178 42.059 0.059 0.000 1.168 444 L HN -0.115 nan 8.230 nan 0.000 0.502 445 R N 1.307 121.798 120.500 -0.015 0.000 2.103 445 R HA -0.206 4.137 4.340 0.004 0.000 0.242 445 R C 2.179 178.496 176.300 0.028 0.000 1.142 445 R CA 1.722 57.816 56.100 -0.011 0.000 0.960 445 R CB -0.204 30.058 30.300 -0.064 0.000 0.858 445 R HN 0.156 nan 8.270 nan 0.000 0.439 446 K N -0.186 120.227 120.400 0.022 0.000 2.057 446 K HA -0.085 4.237 4.320 0.004 0.000 0.207 446 K C 1.881 178.539 176.600 0.098 0.000 1.049 446 K CA 1.677 57.994 56.287 0.050 0.000 0.931 446 K CB -0.107 32.407 32.500 0.025 0.000 0.714 446 K HN 0.181 nan 8.250 nan 0.000 0.440 447 I N 0.166 120.778 120.570 0.070 0.000 2.286 447 I HA -0.187 3.986 4.170 0.004 0.000 0.248 447 I C 2.414 178.573 176.117 0.070 0.000 1.115 447 I CA 1.273 62.614 61.300 0.068 0.000 1.392 447 I CB -0.700 37.334 38.000 0.057 0.000 1.065 447 I HN 0.310 nan 8.210 nan 0.000 0.418 448 G N 0.411 109.254 108.800 0.072 0.000 2.446 448 G HA2 -0.345 3.617 3.960 0.004 0.000 0.217 448 G HA3 -0.345 3.617 3.960 0.004 0.000 0.217 448 G C 1.643 176.584 174.900 0.067 0.000 1.168 448 G CA 0.924 46.064 45.100 0.066 0.000 0.771 448 G HN 0.373 nan 8.290 nan 0.000 0.551 449 Y N 1.891 122.180 120.300 -0.018 0.000 2.081 449 Y HA -0.196 4.357 4.550 0.004 0.000 0.280 449 Y C 2.415 178.304 175.900 -0.018 0.000 1.163 449 Y CA 2.290 60.371 58.100 -0.032 0.000 1.135 449 Y CB -0.500 37.925 38.460 -0.058 0.000 0.970 449 Y HN 0.318 nan 8.280 nan 0.000 0.498 450 D N -1.230 119.170 120.400 0.001 0.000 2.315 450 D HA -0.189 4.454 4.640 0.004 0.000 0.211 450 D C 1.258 177.487 176.300 -0.118 0.000 0.977 450 D CA 1.544 55.502 54.000 -0.069 0.000 0.894 450 D CB -0.220 40.602 40.800 0.037 0.000 0.910 450 D HN 0.365 nan 8.370 nan 0.000 0.490 451 C N -0.047 119.194 119.300 -0.098 0.000 2.778 451 C HA 0.301 4.764 4.460 0.004 0.000 0.294 451 C C 0.638 175.566 174.990 -0.103 0.000 1.331 451 C CA -0.856 58.117 59.018 -0.075 0.000 1.741 451 C CB -1.648 26.076 27.740 -0.026 0.000 2.106 451 C HN 0.303 nan 8.230 nan 0.000 0.603 452 N N 0.502 119.088 118.700 -0.190 0.000 2.721 452 N HA -0.157 4.586 4.740 0.004 0.000 0.249 452 N C 0.306 175.761 175.510 -0.091 0.000 1.072 452 N CA 0.679 53.621 53.050 -0.180 0.000 0.710 452 N CB -1.074 37.331 38.487 -0.136 0.000 0.993 452 N HN 0.614 nan 8.380 nan 0.000 0.547 453 L N -2.615 118.573 121.223 -0.058 0.000 2.749 453 L HA 0.298 4.641 4.340 0.004 0.000 0.242 453 L C 0.078 176.962 176.870 0.023 0.000 1.103 453 L CA 0.088 54.924 54.840 -0.007 0.000 0.906 453 L CB 0.530 42.595 42.059 0.010 0.000 1.228 453 L HN -0.073 nan 8.230 nan 0.000 0.517 454 V N 0.640 120.577 119.914 0.039 0.000 2.495 454 V HA 0.302 4.425 4.120 0.004 0.000 0.298 454 V C 0.384 176.548 176.094 0.118 0.000 1.031 454 V CA -0.784 61.564 62.300 0.080 0.000 0.871 454 V CB 1.764 33.644 31.823 0.095 0.000 0.988 454 V HN 0.297 nan 8.190 nan 0.000 0.432 455 S N 3.381 119.132 115.700 0.084 0.000 2.593 455 S HA 0.160 4.633 4.470 0.004 0.000 0.269 455 S C 1.245 175.886 174.600 0.069 0.000 1.334 455 S CA 0.096 58.347 58.200 0.086 0.000 1.015 455 S CB 1.202 64.434 63.200 0.054 0.000 0.912 455 S HN 0.662 nan 8.310 nan 0.000 0.541 456 S N 0.737 116.467 115.700 0.051 0.000 2.368 456 S HA -0.139 4.334 4.470 0.004 0.000 0.225 456 S C 1.557 176.097 174.600 -0.101 0.000 1.030 456 S CA 1.175 59.281 58.200 -0.156 0.000 0.999 456 S CB -0.660 62.510 63.200 -0.050 0.000 0.844 456 S HN 0.893 nan 8.310 nan 0.000 0.459 457 D N 1.057 121.475 120.400 0.030 0.000 2.221 457 D HA -0.147 4.496 4.640 0.004 0.000 0.204 457 D C 1.188 177.506 176.300 0.031 0.000 0.982 457 D CA 0.965 54.999 54.000 0.056 0.000 0.857 457 D CB -0.059 40.772 40.800 0.051 0.000 0.934 457 D HN 0.257 nan 8.370 nan 0.000 0.475 458 D N 0.071 120.477 120.400 0.010 0.000 2.146 458 D HA -0.098 4.545 4.640 0.004 0.000 0.209 458 D C 2.207 178.488 176.300 -0.033 0.000 0.973 458 D CA 0.261 54.264 54.000 0.006 0.000 0.860 458 D CB -0.452 40.363 40.800 0.026 0.000 1.015 458 D HN 0.207 nan 8.370 nan 0.000 0.465 459 L N 0.989 122.159 121.223 -0.089 0.000 1.990 459 L HA -0.222 4.121 4.340 0.004 0.000 0.213 459 L C 2.019 178.809 176.870 -0.134 0.000 1.072 459 L CA 2.047 56.791 54.840 -0.161 0.000 0.755 459 L CB -0.913 40.947 42.059 -0.332 0.000 0.889 459 L HN 0.156 nan 8.230 nan 0.000 0.432 460 H N -1.604 117.409 119.070 -0.096 0.000 2.457 460 H HA -0.113 4.446 4.556 0.004 0.000 0.294 460 H C 2.157 177.449 175.328 -0.061 0.000 1.064 460 H CA 0.899 56.894 56.048 -0.088 0.000 1.330 460 H CB 0.090 29.803 29.762 -0.081 0.000 1.395 460 H HN 0.301 nan 8.280 nan 0.000 0.541 461 R N 0.426 120.963 120.500 0.061 0.000 2.115 461 R HA -0.061 4.281 4.340 0.004 0.000 0.226 461 R C 2.215 178.513 176.300 -0.004 0.000 1.100 461 R CA 1.652 57.767 56.100 0.024 0.000 0.980 461 R CB -0.612 29.701 30.300 0.021 0.000 0.875 461 R HN 0.076 nan 8.270 nan 0.000 0.445 462 T N -0.238 114.302 114.554 -0.025 0.000 2.978 462 T HA 0.047 4.400 4.350 0.004 0.000 0.262 462 T C 1.186 175.865 174.700 -0.035 0.000 1.063 462 T CA 0.983 63.052 62.100 -0.053 0.000 1.140 462 T CB -0.080 68.731 68.868 -0.095 0.000 0.886 462 T HN 0.416 nan 8.240 nan 0.000 0.470 463 E N 0.814 121.004 120.200 -0.016 0.000 2.268 463 E HA -0.069 4.284 4.350 0.004 0.000 0.195 463 E C 2.258 178.853 176.600 -0.008 0.000 0.995 463 E CA 1.266 57.663 56.400 -0.004 0.000 0.836 463 E CB 0.030 29.743 29.700 0.022 0.000 0.763 463 E HN 0.601 nan 8.360 nan 0.000 0.491 464 S N 0.198 115.891 115.700 -0.012 0.000 2.486 464 S HA 0.020 4.492 4.470 0.004 0.000 0.220 464 S C 1.926 176.508 174.600 -0.030 0.000 1.011 464 S CA -0.145 58.037 58.200 -0.029 0.000 0.921 464 S CB 0.014 63.194 63.200 -0.033 0.000 0.785 464 S HN 0.231 nan 8.310 nan 0.000 0.517 465 I N 2.040 122.597 120.570 -0.021 0.000 2.439 465 I HA -0.014 4.158 4.170 0.004 0.000 0.251 465 I C 2.149 178.260 176.117 -0.009 0.000 1.139 465 I CA 1.036 62.326 61.300 -0.017 0.000 1.438 465 I CB -0.096 37.892 38.000 -0.018 0.000 1.085 465 I HN 0.482 nan 8.210 nan 0.000 0.427 466 I N -1.633 118.932 120.570 -0.008 0.000 2.439 466 I HA -0.177 3.996 4.170 0.004 0.000 0.251 466 I C 2.262 178.396 176.117 0.028 0.000 1.139 466 I CA 1.160 62.464 61.300 0.007 0.000 1.438 466 I CB -0.681 37.321 38.000 0.003 0.000 1.085 466 I HN -0.037 nan 8.210 nan 0.000 0.427 467 K N 1.292 121.703 120.400 0.018 0.000 2.063 467 K HA -0.128 4.195 4.320 0.004 0.000 0.208 467 K C 2.336 178.969 176.600 0.056 0.000 1.048 467 K CA 1.773 58.083 56.287 0.039 0.000 0.928 467 K CB -0.162 32.312 32.500 -0.044 0.000 0.713 467 K HN 0.355 nan 8.250 nan 0.000 0.442 468 R N 0.226 120.725 120.500 -0.000 0.000 2.090 468 R HA -0.053 4.290 4.340 0.004 0.000 0.228 468 R C 2.276 178.619 176.300 0.071 0.000 1.110 468 R CA 0.760 56.870 56.100 0.015 0.000 0.973 468 R CB -0.312 29.980 30.300 -0.013 0.000 0.869 468 R HN -0.030 nan 8.270 nan 0.000 0.440 469 V N 2.040 121.987 119.914 0.055 0.000 2.261 469 V HA -0.314 3.809 4.120 0.004 0.000 0.246 469 V C 2.484 178.616 176.094 0.065 0.000 1.047 469 V CA 2.238 64.569 62.300 0.051 0.000 1.015 469 V CB -0.680 31.164 31.823 0.035 0.000 0.642 469 V HN 0.467 nan 8.190 nan 0.000 0.446 470 Q N -0.567 119.278 119.800 0.075 0.000 2.119 470 Q HA -0.264 4.078 4.340 0.004 0.000 0.201 470 Q C 2.043 178.077 176.000 0.058 0.000 0.972 470 Q CA 2.306 58.145 55.803 0.060 0.000 0.847 470 Q CB -0.649 28.122 28.738 0.055 0.000 0.903 470 Q HN 0.682 nan 8.270 nan 0.000 0.433 471 H N -0.293 118.779 119.070 0.004 0.000 2.422 471 H HA -0.096 4.462 4.556 0.005 0.000 0.298 471 H C 1.995 177.326 175.328 0.004 0.000 1.098 471 H CA 1.535 57.584 56.048 0.003 0.000 1.315 471 H CB -0.237 29.526 29.762 0.001 0.000 1.382 471 H HN 0.493 nan 8.280 nan 0.000 0.523 472 C N -0.330 119.041 119.300 0.118 0.000 2.486 472 C HA 0.016 4.478 4.460 0.004 0.000 0.279 472 C C 2.529 177.541 174.990 0.037 0.000 1.302 472 C CA 0.275 59.333 59.018 0.068 0.000 1.720 472 C CB -1.147 26.627 27.740 0.056 0.000 2.030 472 C HN 0.517 nan 8.230 nan 0.000 0.490 473 L N 0.896 122.138 121.223 0.031 0.000 2.265 473 L HA -0.086 4.256 4.340 0.004 0.000 0.215 473 L C 2.639 179.509 176.870 -0.002 0.000 1.117 473 L CA 1.069 55.919 54.840 0.016 0.000 0.782 473 L CB -0.672 41.398 42.059 0.018 0.000 0.914 473 L HN 0.401 nan 8.230 nan 0.000 0.441 474 E N 0.119 120.308 120.200 -0.018 0.000 2.051 474 E HA -0.161 4.191 4.350 0.004 0.000 0.192 474 E C 2.346 178.935 176.600 -0.018 0.000 0.991 474 E CA 1.278 57.655 56.400 -0.039 0.000 0.799 474 E CB -0.269 29.378 29.700 -0.088 0.000 0.748 474 E HN 0.346 nan 8.360 nan 0.000 0.449 475 V N 1.319 121.230 119.914 -0.004 0.000 2.719 475 V HA -0.147 3.975 4.120 0.004 0.000 0.252 475 V C 2.133 178.232 176.094 0.008 0.000 1.065 475 V CA 0.893 63.196 62.300 0.005 0.000 1.086 475 V CB -0.337 31.496 31.823 0.017 0.000 0.700 475 V HN 0.214 nan 8.190 nan 0.000 0.467 476 M N -0.239 119.367 119.600 0.010 0.000 2.549 476 M HA -0.051 4.432 4.480 0.004 0.000 0.260 476 M C 1.819 178.124 176.300 0.007 0.000 1.076 476 M CA 1.321 56.628 55.300 0.012 0.000 1.090 476 M CB -0.962 31.648 32.600 0.016 0.000 1.418 476 M HN 0.368 nan 8.290 nan 0.000 0.486 477 K N -1.154 119.247 120.400 0.002 0.000 2.276 477 K HA 0.072 4.394 4.320 0.004 0.000 0.198 477 K C 1.885 178.484 176.600 -0.001 0.000 1.052 477 K CA 1.062 57.349 56.287 -0.001 0.000 0.984 477 K CB 0.131 32.628 32.500 -0.005 0.000 0.836 477 K HN 0.246 nan 8.250 nan 0.000 0.490 478 T N 1.721 116.274 114.554 -0.002 0.000 2.735 478 T HA 0.028 4.380 4.350 0.004 0.000 0.256 478 T C 1.156 175.857 174.700 0.002 0.000 1.042 478 T CA 0.619 62.718 62.100 -0.001 0.000 1.147 478 T CB -0.276 68.590 68.868 -0.003 0.000 0.865 478 T HN 0.235 nan 8.240 nan 0.000 0.421 479 A N 2.785 125.608 122.820 0.005 0.000 2.586 479 A HA 0.294 4.617 4.320 0.004 0.000 0.231 479 A C 0.401 177.989 177.584 0.008 0.000 1.055 479 A CA 0.036 52.078 52.037 0.008 0.000 0.756 479 A CB -0.156 18.851 19.000 0.012 0.000 0.988 479 A HN 0.648 nan 8.150 nan 0.000 0.509 480 K N 0.118 120.523 120.400 0.009 0.000 2.318 480 K HA 0.719 5.042 4.320 0.004 0.000 0.249 480 K C -1.192 175.414 176.600 0.011 0.000 0.942 480 K CA -0.814 55.478 56.287 0.008 0.000 0.808 480 K CB 2.035 34.539 32.500 0.006 0.000 1.189 480 K HN 0.666 nan 8.250 nan 0.000 0.428 481 V N -1.470 118.450 119.914 0.009 0.000 2.488 481 V HA 0.351 4.474 4.120 0.004 0.000 0.293 481 V C -0.034 176.063 176.094 0.005 0.000 1.027 481 V CA -0.824 61.482 62.300 0.011 0.000 0.862 481 V CB 0.735 32.567 31.823 0.015 0.000 1.008 481 V HN 0.973 nan 8.190 nan 0.000 0.428 482 T N 1.995 116.552 114.554 0.006 0.000 2.898 482 T HA 0.376 4.729 4.350 0.004 0.000 0.301 482 T C -1.103 173.593 174.700 -0.005 0.000 1.049 482 T CA -1.144 60.956 62.100 0.001 0.000 1.095 482 T CB 1.258 70.128 68.868 0.003 0.000 0.976 482 T HN 0.610 nan 8.240 nan 0.000 0.539 483 P HA 0.072 nan 4.420 nan 0.000 0.239 483 P C 1.212 178.501 177.300 -0.020 0.000 1.184 483 P CA 0.421 63.511 63.100 -0.016 0.000 0.760 483 P CB -0.307 31.385 31.700 -0.013 0.000 0.884 484 A N 0.640 123.452 122.820 -0.012 0.000 1.929 484 A HA -0.139 4.184 4.320 0.004 0.000 0.216 484 A C 2.051 179.625 177.584 -0.017 0.000 1.176 484 A CA 1.417 53.448 52.037 -0.010 0.000 0.628 484 A CB -0.662 18.338 19.000 0.000 0.000 0.816 484 A HN 0.132 nan 8.150 nan 0.000 0.444 485 E N -0.371 119.819 120.200 -0.018 0.000 2.166 485 E HA 0.108 4.460 4.350 0.004 0.000 0.192 485 E C 1.618 178.136 176.600 -0.137 0.000 0.967 485 E CA 0.941 57.327 56.400 -0.025 0.000 0.840 485 E CB -0.058 29.662 29.700 0.033 0.000 0.795 485 E HN 0.726 nan 8.360 nan 0.000 0.470 486 I N 0.174 120.672 120.570 -0.120 0.000 3.462 486 I HA 0.046 4.219 4.170 0.004 0.000 0.290 486 I C 1.488 177.520 176.117 -0.142 0.000 1.236 486 I CA 0.013 61.208 61.300 -0.175 0.000 1.418 486 I CB -0.074 37.870 38.000 -0.092 0.000 1.102 486 I HN -0.046 nan 8.210 nan 0.000 0.441 487 N N 1.610 120.254 118.700 -0.092 0.000 2.104 487 N HA -0.161 4.581 4.740 0.004 0.000 0.190 487 N C 2.048 177.516 175.510 -0.070 0.000 1.024 487 N CA 2.348 55.359 53.050 -0.066 0.000 0.853 487 N CB -0.410 38.052 38.487 -0.042 0.000 1.008 487 N HN 0.497 nan 8.380 nan 0.000 0.424 488 T N -0.969 113.534 114.554 -0.085 0.000 2.904 488 T HA -0.064 4.289 4.350 0.004 0.000 0.267 488 T C 2.045 176.692 174.700 -0.088 0.000 1.059 488 T CA 0.553 62.611 62.100 -0.070 0.000 1.137 488 T CB -0.475 68.362 68.868 -0.052 0.000 0.879 488 T HN 0.081 nan 8.240 nan 0.000 0.467 489 L N 0.794 121.917 121.223 -0.167 0.000 2.017 489 L HA 0.186 4.529 4.340 0.004 0.000 0.208 489 L C 2.318 179.141 176.870 -0.078 0.000 1.073 489 L CA 1.533 56.279 54.840 -0.157 0.000 0.745 489 L CB -0.610 41.259 42.059 -0.316 0.000 0.894 489 L HN 0.235 nan 8.230 nan 0.000 0.432 490 L N -1.479 119.698 121.223 -0.077 0.000 2.201 490 L HA -0.173 4.170 4.340 0.004 0.000 0.212 490 L C 2.569 179.422 176.870 -0.029 0.000 1.105 490 L CA 0.969 55.783 54.840 -0.043 0.000 0.775 490 L CB -0.474 41.560 42.059 -0.041 0.000 0.913 490 L HN 0.348 nan 8.230 nan 0.000 0.440 491 M N -0.202 119.379 119.600 -0.032 0.000 2.108 491 M HA -0.204 4.279 4.480 0.004 0.000 0.261 491 M C 1.921 178.213 176.300 -0.013 0.000 1.066 491 M CA 1.680 56.968 55.300 -0.020 0.000 1.107 491 M CB -0.364 32.224 32.600 -0.021 0.000 1.356 491 M HN 0.378 nan 8.290 nan 0.000 0.406 492 N N 0.160 118.852 118.700 -0.013 0.000 2.207 492 N HA -0.088 4.655 4.740 0.004 0.000 0.182 492 N C 1.421 176.932 175.510 0.001 0.000 1.020 492 N CA 1.047 54.096 53.050 -0.003 0.000 0.858 492 N CB -0.309 38.179 38.487 0.003 0.000 0.991 492 N HN 0.372 nan 8.380 nan 0.000 0.427 493 K N 0.366 120.765 120.400 -0.002 0.000 2.365 493 K HA 0.028 4.351 4.320 0.004 0.000 0.199 493 K C 0.548 177.148 176.600 0.001 0.000 1.045 493 K CA 0.485 56.773 56.287 0.003 0.000 0.962 493 K CB -0.030 32.472 32.500 0.003 0.000 0.759 493 K HN 0.250 nan 8.250 nan 0.000 0.469 494 G N 1.905 110.703 108.800 -0.003 0.000 2.295 494 G HA2 -0.247 3.716 3.960 0.004 0.000 0.287 494 G HA3 -0.247 3.716 3.960 0.004 0.000 0.287 494 G C 0.072 174.970 174.900 -0.003 0.000 1.055 494 G CA 0.215 45.313 45.100 -0.003 0.000 0.922 494 G HN 0.154 nan 8.290 nan 0.000 0.503 495 L N -0.606 120.613 121.223 -0.006 0.000 2.591 495 L HA 0.600 4.943 4.340 0.004 0.000 0.197 495 L C 1.248 178.114 176.870 -0.007 0.000 1.537 495 L CA 0.572 55.409 54.840 -0.005 0.000 3.045 495 L CB -0.180 41.876 42.059 -0.006 0.000 2.859 495 L HN 0.458 nan 8.230 nan 0.000 0.957 496 Q N 0.400 120.194 119.800 -0.009 0.000 2.278 496 Q HA 0.381 4.723 4.340 0.004 0.000 0.257 496 Q C -1.014 174.978 176.000 -0.013 0.000 0.928 496 Q CA -0.181 55.615 55.803 -0.010 0.000 0.932 496 Q CB 1.267 29.999 28.738 -0.010 0.000 1.221 496 Q HN 0.235 nan 8.270 nan 0.000 0.434 497 E N 2.608 122.800 120.200 -0.013 0.000 2.313 497 E HA 0.156 4.509 4.350 0.004 0.000 0.276 497 E C -0.948 175.643 176.600 -0.015 0.000 1.031 497 E CA -0.388 56.003 56.400 -0.015 0.000 0.857 497 E CB 0.745 30.437 29.700 -0.013 0.000 1.040 497 E HN 0.572 nan 8.360 nan 0.000 0.408 498 L N 6.217 127.429 121.223 -0.018 0.000 2.397 498 L HA 0.151 4.493 4.340 0.004 0.000 0.263 498 L C 1.054 177.915 176.870 -0.014 0.000 1.136 498 L CA -0.166 54.664 54.840 -0.016 0.000 1.019 498 L CB 0.134 42.181 42.059 -0.020 0.000 1.352 498 L HN 0.613 nan 8.230 nan 0.000 0.420 499 K N 0.650 121.043 120.400 -0.011 0.000 2.360 499 K HA -0.071 4.251 4.320 0.004 0.000 0.201 499 K C 0.763 177.358 176.600 -0.008 0.000 1.046 499 K CA 1.230 57.511 56.287 -0.009 0.000 0.940 499 K CB 0.160 32.655 32.500 -0.008 0.000 0.748 499 K HN 0.695 nan 8.250 nan 0.000 0.465 500 T N -2.815 111.734 114.554 -0.008 0.000 2.630 500 T HA 0.158 4.511 4.350 0.004 0.000 0.225 500 T C -2.472 172.224 174.700 -0.006 0.000 0.897 500 T CA -0.607 61.489 62.100 -0.007 0.000 1.316 500 T CB 0.624 69.489 68.868 -0.006 0.000 1.743 500 T HN -0.217 nan 8.240 nan 0.000 0.436 501 P HA 0.476 nan 4.420 nan 0.000 0.274 501 P C 0.078 177.376 177.300 -0.004 0.000 1.352 501 P CA -0.090 63.008 63.100 -0.004 0.000 0.947 501 P CB -0.475 31.223 31.700 -0.003 0.000 1.437 502 A N 1.304 124.121 122.820 -0.005 0.000 2.540 502 A HA -0.038 4.285 4.320 0.004 0.000 0.268 502 A C 0.913 178.496 177.584 -0.003 0.000 1.061 502 A CA 0.479 52.513 52.037 -0.005 0.000 0.821 502 A CB -0.285 18.711 19.000 -0.006 0.000 0.970 502 A HN 0.245 nan 8.150 nan 0.000 0.524 503 R N 3.834 124.334 120.500 -0.001 0.000 1.792 503 R HA 0.642 4.984 4.340 0.004 0.000 0.139 503 R C 1.290 177.591 176.300 0.002 0.000 2.091 503 R CA 0.122 56.223 56.100 0.002 0.000 1.697 503 R CB -0.973 29.329 30.300 0.002 0.000 1.340 503 R HN 1.410 nan 8.270 nan 0.000 0.481 504 A N 2.606 125.427 122.820 0.001 0.000 2.189 504 A HA -0.216 4.106 4.320 0.004 0.000 0.272 504 A C 1.166 178.752 177.584 0.003 0.000 1.349 504 A CA 0.617 52.655 52.037 0.001 0.000 0.778 504 A CB -1.680 17.319 19.000 -0.002 0.000 1.088 504 A HN 0.540 nan 8.150 nan 0.000 0.351 505 L N -0.360 120.867 121.223 0.006 0.000 2.143 505 L HA -0.415 3.927 4.340 0.004 0.000 0.231 505 L C 2.732 179.607 176.870 0.009 0.000 1.106 505 L CA 2.549 57.395 54.840 0.010 0.000 0.827 505 L CB -0.948 41.119 42.059 0.014 0.000 0.915 505 L HN 0.775 nan 8.230 nan 0.000 0.448 506 S N -0.400 115.305 115.700 0.008 0.000 2.374 506 S HA -0.233 4.239 4.470 0.004 0.000 0.227 506 S C 1.723 176.324 174.600 0.002 0.000 1.037 506 S CA 1.596 59.800 58.200 0.007 0.000 1.024 506 S CB -0.411 62.792 63.200 0.005 0.000 0.861 506 S HN 0.283 nan 8.310 nan 0.000 0.456 507 L N 1.234 122.457 121.223 -0.001 0.000 2.265 507 L HA -0.024 4.319 4.340 0.004 0.000 0.215 507 L C 1.637 178.505 176.870 -0.004 0.000 1.117 507 L CA 1.135 55.972 54.840 -0.005 0.000 0.782 507 L CB -0.398 41.657 42.059 -0.005 0.000 0.914 507 L HN 0.249 nan 8.230 nan 0.000 0.441 508 I N 0.060 120.630 120.570 0.000 0.000 2.244 508 I HA -0.159 4.014 4.170 0.004 0.000 0.231 508 I C 1.105 177.223 176.117 0.002 0.000 1.065 508 I CA 0.600 61.901 61.300 0.001 0.000 1.358 508 I CB -1.246 36.758 38.000 0.006 0.000 1.130 508 I HN 0.283 nan 8.210 nan 0.000 0.411 509 K N 2.583 122.988 120.400 0.009 0.000 2.021 509 K HA 0.145 4.468 4.320 0.004 0.000 0.238 509 K C 0.402 177.003 176.600 0.002 0.000 1.149 509 K CA 0.271 56.564 56.287 0.011 0.000 1.105 509 K CB 0.623 33.136 32.500 0.021 0.000 1.246 509 K HN 0.328 nan 8.250 nan 0.000 0.307 510 R N 1.074 121.569 120.500 -0.008 0.000 3.350 510 R HA 0.074 4.416 4.340 0.004 0.000 0.148 510 R C -1.046 175.235 176.300 -0.033 0.000 0.732 510 R CA -0.170 55.915 56.100 -0.025 0.000 1.152 510 R CB -0.424 29.861 30.300 -0.026 0.000 1.613 510 R HN 0.355 nan 8.270 nan 0.000 0.529 511 P HA 0.164 nan 4.420 nan 0.000 0.221 511 P C 0.317 177.611 177.300 -0.010 0.000 1.155 511 P CA 1.360 64.450 63.100 -0.017 0.000 0.812 511 P CB 0.456 32.150 31.700 -0.010 0.000 0.801 512 G N -1.044 107.756 108.800 -0.001 0.000 5.005 512 G HA2 0.224 4.186 3.960 0.004 0.000 0.222 512 G HA3 0.224 4.186 3.960 0.004 0.000 0.222 512 G C -0.596 174.315 174.900 0.018 0.000 1.437 512 G CA -0.280 44.826 45.100 0.011 0.000 0.894 512 G HN 0.096 nan 8.290 nan 0.000 0.394 513 I N 1.257 121.839 120.570 0.019 0.000 2.509 513 I HA 0.487 4.659 4.170 0.004 0.000 0.293 513 I C 0.426 176.563 176.117 0.034 0.000 1.020 513 I CA -0.959 60.357 61.300 0.027 0.000 1.088 513 I CB 2.177 40.191 38.000 0.023 0.000 1.267 513 I HN 0.135 nan 8.210 nan 0.000 0.430 514 S N 4.625 120.350 115.700 0.042 0.000 2.580 514 S HA 0.183 4.655 4.470 0.004 0.000 0.274 514 S C 1.044 175.668 174.600 0.041 0.000 1.329 514 S CA -0.404 57.821 58.200 0.041 0.000 1.036 514 S CB 0.817 64.041 63.200 0.039 0.000 0.919 514 S HN 0.633 nan 8.310 nan 0.000 0.515 515 L N 4.165 125.410 121.223 0.037 0.000 2.079 515 L HA -0.147 4.196 4.340 0.004 0.000 0.210 515 L C 2.385 179.274 176.870 0.031 0.000 1.081 515 L CA 1.725 56.585 54.840 0.034 0.000 0.752 515 L CB -0.333 41.745 42.059 0.032 0.000 0.896 515 L HN 0.838 nan 8.230 nan 0.000 0.433 516 Q N -0.626 119.190 119.800 0.027 0.000 2.369 516 Q HA -0.162 4.180 4.340 0.004 0.000 0.206 516 Q C 1.358 177.370 176.000 0.021 0.000 0.963 516 Q CA 1.042 56.855 55.803 0.017 0.000 0.894 516 Q CB 0.100 28.842 28.738 0.008 0.000 0.965 516 Q HN 0.594 nan 8.270 nan 0.000 0.475 517 D N 0.093 120.522 120.400 0.049 0.000 2.269 517 D HA -0.075 4.568 4.640 0.004 0.000 0.208 517 D C 1.509 177.899 176.300 0.149 0.000 0.963 517 D CA 0.856 54.917 54.000 0.102 0.000 0.864 517 D CB 0.218 41.087 40.800 0.115 0.000 0.936 517 D HN 0.307 nan 8.370 nan 0.000 0.505 518 I N -0.116 120.508 120.570 0.091 0.000 2.364 518 I HA -0.161 4.011 4.170 0.004 0.000 0.241 518 I C 1.992 178.148 176.117 0.065 0.000 1.082 518 I CA 0.210 61.565 61.300 0.091 0.000 1.401 518 I CB -0.000 38.035 38.000 0.058 0.000 1.126 518 I HN -0.125 nan 8.210 nan 0.000 0.429 519 L N 0.848 122.090 121.223 0.032 0.000 2.137 519 L HA -0.286 4.056 4.340 0.004 0.000 0.213 519 L C 2.436 179.299 176.870 -0.012 0.000 1.085 519 L CA 1.851 56.698 54.840 0.012 0.000 0.760 519 L CB -0.688 41.375 42.059 0.005 0.000 0.893 519 L HN 0.310 nan 8.230 nan 0.000 0.434 520 E N -1.913 118.259 120.200 -0.045 0.000 2.216 520 E HA -0.169 4.184 4.350 0.004 0.000 0.192 520 E C 1.762 178.238 176.600 -0.207 0.000 0.988 520 E CA 0.584 56.897 56.400 -0.146 0.000 0.834 520 E CB 0.134 29.700 29.700 -0.224 0.000 0.772 520 E HN 0.600 nan 8.360 nan 0.000 0.479 521 H N -0.694 118.379 119.070 0.005 0.000 2.639 521 H HA 0.144 4.703 4.556 0.005 0.000 0.267 521 H C 0.424 175.754 175.328 0.004 0.000 0.958 521 H CA 0.785 56.836 56.048 0.005 0.000 1.221 521 H CB 0.834 30.599 29.762 0.005 0.000 1.446 521 H HN 0.048 nan 8.280 nan 0.000 0.512 522 S N 0.184 115.948 115.700 0.106 0.000 2.502 522 S HA 0.236 4.709 4.470 0.004 0.000 0.304 522 S C 0.907 175.529 174.600 0.036 0.000 1.097 522 S CA -0.765 57.474 58.200 0.064 0.000 1.045 522 S CB 2.013 65.246 63.200 0.053 0.000 1.019 522 S HN 0.186 nan 8.310 nan 0.000 0.481 523 L N 2.906 124.146 121.223 0.028 0.000 2.217 523 L HA -0.025 4.317 4.340 0.004 0.000 0.211 523 L C 2.716 179.595 176.870 0.016 0.000 1.107 523 L CA 1.377 56.227 54.840 0.018 0.000 0.783 523 L CB -0.480 41.588 42.059 0.015 0.000 0.919 523 L HN 0.987 nan 8.230 nan 0.000 0.442 524 S N -0.677 115.034 115.700 0.019 0.000 2.359 524 S HA -0.181 4.292 4.470 0.004 0.000 0.224 524 S C 1.824 176.433 174.600 0.016 0.000 1.035 524 S CA 1.882 60.092 58.200 0.016 0.000 1.018 524 S CB -0.170 63.039 63.200 0.016 0.000 0.876 524 S HN 0.282 nan 8.310 nan 0.000 0.448 525 V N 3.510 123.436 119.914 0.019 0.000 2.302 525 V HA -0.100 4.022 4.120 0.004 0.000 0.243 525 V C 2.625 178.729 176.094 0.016 0.000 1.036 525 V CA 1.954 64.265 62.300 0.019 0.000 1.020 525 V CB -0.887 30.950 31.823 0.023 0.000 0.657 525 V HN 0.598 nan 8.190 nan 0.000 0.453 526 R N 0.809 121.318 120.500 0.014 0.000 2.159 526 R HA -0.125 4.217 4.340 0.004 0.000 0.237 526 R C 2.227 178.533 176.300 0.009 0.000 1.131 526 R CA 1.718 57.824 56.100 0.009 0.000 0.982 526 R CB -0.928 29.375 30.300 0.004 0.000 0.868 526 R HN 0.429 nan 8.270 nan 0.000 0.453 527 S N 1.208 116.913 115.700 0.010 0.000 2.383 527 S HA -0.045 4.427 4.470 0.004 0.000 0.227 527 S C 2.106 176.713 174.600 0.011 0.000 1.026 527 S CA 1.178 59.383 58.200 0.009 0.000 0.981 527 S CB -0.047 63.158 63.200 0.009 0.000 0.818 527 S HN 0.581 nan 8.310 nan 0.000 0.472 528 A N 0.220 123.048 122.820 0.013 0.000 2.072 528 A HA 0.661 4.984 4.320 0.004 0.000 0.216 528 A C 0.882 178.479 177.584 0.020 0.000 1.156 528 A CA 0.738 52.785 52.037 0.016 0.000 0.701 528 A CB 0.040 19.049 19.000 0.016 0.000 0.816 528 A HN 0.525 nan 8.150 nan 0.000 0.458 529 A N -0.532 122.299 122.820 0.018 0.000 2.626 529 A HA 0.543 4.866 4.320 0.004 0.000 0.293 529 A C -0.294 177.299 177.584 0.015 0.000 1.111 529 A CA -0.072 51.977 52.037 0.020 0.000 0.874 529 A CB 0.312 19.327 19.000 0.026 0.000 1.451 529 A HN 0.201 nan 8.150 nan 0.000 0.396 530 E N 1.881 122.088 120.200 0.011 0.000 2.583 530 E HA 0.003 4.356 4.350 0.004 0.000 0.213 530 E C 1.289 177.892 176.600 0.005 0.000 0.989 530 E CA 0.623 57.027 56.400 0.006 0.000 0.991 530 E CB 0.380 30.082 29.700 0.003 0.000 1.040 530 E HN 0.888 nan 8.360 nan 0.000 0.481 531 E N 0.985 121.190 120.200 0.007 0.000 2.107 531 E HA -0.185 4.168 4.350 0.004 0.000 0.191 531 E C 2.086 178.689 176.600 0.005 0.000 0.982 531 E CA 0.939 57.340 56.400 0.003 0.000 0.809 531 E CB -0.483 29.218 29.700 0.002 0.000 0.756 531 E HN 0.371 nan 8.360 nan 0.000 0.459 532 L N -0.088 121.141 121.223 0.010 0.000 2.141 532 L HA -0.022 4.321 4.340 0.004 0.000 0.209 532 L C 2.804 179.679 176.870 0.008 0.000 1.094 532 L CA 1.114 55.962 54.840 0.012 0.000 0.763 532 L CB -1.170 40.899 42.059 0.017 0.000 0.908 532 L HN 0.199 nan 8.230 nan 0.000 0.437 533 C N 2.092 121.396 119.300 0.006 0.000 2.388 533 C HA -0.183 4.279 4.460 0.004 0.000 0.277 533 C C 2.834 177.825 174.990 0.001 0.000 1.210 533 C CA 1.907 60.926 59.018 0.002 0.000 1.743 533 C CB -1.085 26.655 27.740 -0.000 0.000 2.047 533 C HN 0.725 nan 8.230 nan 0.000 0.458 534 N N 0.740 119.441 118.700 0.000 0.000 2.149 534 N HA -0.057 4.686 4.740 0.004 0.000 0.188 534 N C 0.456 175.967 175.510 0.002 0.000 1.019 534 N CA 1.210 54.260 53.050 -0.000 0.000 0.857 534 N CB -0.540 37.946 38.487 -0.002 0.000 0.997 534 N HN 0.612 nan 8.380 nan 0.000 0.426 535 D N 0.849 121.251 120.400 0.004 0.000 2.485 535 D HA 0.145 4.787 4.640 0.004 0.000 0.221 535 D C -1.717 174.589 176.300 0.010 0.000 1.112 535 D CA -2.105 51.900 54.000 0.007 0.000 0.911 535 D CB 1.209 42.013 40.800 0.006 0.000 1.019 535 D HN 0.090 nan 8.370 nan 0.000 0.516 536 P HA -0.099 nan 4.420 nan 0.000 0.228 536 P C 1.258 178.566 177.300 0.012 0.000 1.151 536 P CA 0.444 63.548 63.100 0.007 0.000 0.770 536 P CB 0.620 32.322 31.700 0.003 0.000 0.786 537 R N -0.308 120.204 120.500 0.019 0.000 2.062 537 R HA -0.014 4.328 4.340 0.004 0.000 0.226 537 R C 2.323 178.634 176.300 0.019 0.000 1.125 537 R CA 0.964 57.080 56.100 0.026 0.000 0.966 537 R CB -1.023 29.301 30.300 0.041 0.000 0.861 537 R HN 0.070 nan 8.270 nan 0.000 0.433 538 V N 1.429 121.352 119.914 0.016 0.000 2.255 538 V HA -0.297 3.825 4.120 0.004 0.000 0.247 538 V C 2.538 178.643 176.094 0.018 0.000 1.051 538 V CA 2.080 64.390 62.300 0.016 0.000 1.018 538 V CB -0.850 30.982 31.823 0.015 0.000 0.641 538 V HN 0.417 nan 8.190 nan 0.000 0.445 539 A N -0.569 122.261 122.820 0.016 0.000 1.917 539 A HA -0.335 3.987 4.320 0.004 0.000 0.219 539 A C 2.333 179.928 177.584 0.018 0.000 1.182 539 A CA 2.338 54.385 52.037 0.017 0.000 0.633 539 A CB -0.580 18.428 19.000 0.013 0.000 0.819 539 A HN 0.669 nan 8.150 nan 0.000 0.448 540 E N -1.039 119.168 120.200 0.012 0.000 2.106 540 E HA -0.207 4.145 4.350 0.004 0.000 0.192 540 E C 2.144 178.749 176.600 0.008 0.000 0.984 540 E CA 1.053 57.456 56.400 0.005 0.000 0.806 540 E CB -0.138 29.557 29.700 -0.008 0.000 0.750 540 E HN 0.635 nan 8.360 nan 0.000 0.458 541 Q N 0.284 120.090 119.800 0.010 0.000 2.016 541 Q HA -0.103 4.240 4.340 0.004 0.000 0.200 541 Q C 2.469 178.489 176.000 0.032 0.000 0.978 541 Q CA 1.155 56.966 55.803 0.013 0.000 0.833 541 Q CB -0.331 28.413 28.738 0.011 0.000 0.895 541 Q HN 0.241 nan 8.270 nan 0.000 0.427 542 V N 1.481 121.415 119.914 0.034 0.000 2.282 542 V HA -0.308 3.814 4.120 0.004 0.000 0.249 542 V C 2.503 178.629 176.094 0.054 0.000 1.057 542 V CA 2.223 64.548 62.300 0.042 0.000 1.032 542 V CB -0.670 31.174 31.823 0.036 0.000 0.645 542 V HN 0.459 nan 8.190 nan 0.000 0.447 543 Q N -0.791 119.041 119.800 0.053 0.000 2.181 543 Q HA -0.205 4.138 4.340 0.004 0.000 0.205 543 Q C 2.111 178.177 176.000 0.111 0.000 0.980 543 Q CA 1.881 57.724 55.803 0.067 0.000 0.862 543 Q CB -0.091 28.681 28.738 0.057 0.000 0.905 543 Q HN 0.689 nan 8.270 nan 0.000 0.429 544 I N 0.007 120.652 120.570 0.125 0.000 2.429 544 I HA -0.161 4.012 4.170 0.004 0.000 0.247 544 I C 2.119 178.374 176.117 0.229 0.000 1.099 544 I CA 0.440 61.873 61.300 0.222 0.000 1.422 544 I CB -0.181 37.879 38.000 0.100 0.000 1.112 544 I HN 0.079 nan 8.210 nan 0.000 0.430 545 E N 1.110 121.387 120.200 0.129 0.000 2.187 545 E HA -0.248 4.105 4.350 0.004 0.000 0.199 545 E C 2.100 178.767 176.600 0.111 0.000 1.004 545 E CA 1.879 58.344 56.400 0.109 0.000 0.813 545 E CB -0.202 29.539 29.700 0.068 0.000 0.736 545 E HN 0.703 nan 8.360 nan 0.000 0.468 546 I N -2.938 117.692 120.570 0.099 0.000 3.339 546 I HA 0.055 4.228 4.170 0.004 0.000 0.285 546 I C 1.959 178.106 176.117 0.050 0.000 1.201 546 I CA 0.359 61.698 61.300 0.065 0.000 1.434 546 I CB 0.013 38.038 38.000 0.041 0.000 1.152 546 I HN -0.235 nan 8.210 nan 0.000 0.443 547 K N 0.213 120.652 120.400 0.065 0.000 2.439 547 K HA 0.015 4.338 4.320 0.004 0.000 0.197 547 K C 0.074 176.528 176.600 -0.244 0.000 1.041 547 K CA 1.072 57.320 56.287 -0.064 0.000 0.970 547 K CB 0.047 32.519 32.500 -0.047 0.000 0.773 547 K HN 0.419 nan 8.250 nan 0.000 0.479 548 Y N -0.588 119.774 120.300 0.103 0.000 2.698 548 Y HA 0.075 4.628 4.550 0.004 0.000 0.261 548 Y C 1.231 177.207 175.900 0.127 0.000 1.104 548 Y CA -0.498 57.701 58.100 0.166 0.000 1.145 548 Y CB 0.617 39.159 38.460 0.137 0.000 1.191 548 Y HN -0.032 nan 8.280 nan 0.000 0.564 549 E N 0.948 121.233 120.200 0.143 0.000 2.038 549 E HA -0.149 4.203 4.350 0.004 0.000 0.195 549 E C 2.427 179.049 176.600 0.038 0.000 1.000 549 E CA 2.102 58.547 56.400 0.077 0.000 0.803 549 E CB -0.448 29.268 29.700 0.026 0.000 0.750 549 E HN 0.506 nan 8.360 nan 0.000 0.448 550 G N -0.870 107.903 108.800 -0.046 0.000 2.459 550 G HA2 -0.295 3.668 3.960 0.004 0.000 0.217 550 G HA3 -0.295 3.668 3.960 0.004 0.000 0.217 550 G C 1.367 176.164 174.900 -0.172 0.000 1.183 550 G CA 1.279 46.264 45.100 -0.192 0.000 0.776 550 G HN 0.407 nan 8.290 nan 0.000 0.552 551 Y N 0.270 120.614 120.300 0.074 0.000 2.314 551 Y HA 0.148 4.701 4.550 0.005 0.000 0.293 551 Y C 2.681 178.621 175.900 0.067 0.000 1.129 551 Y CA 0.318 58.468 58.100 0.084 0.000 1.201 551 Y CB -0.103 38.448 38.460 0.151 0.000 0.999 551 Y HN 0.126 nan 8.280 nan 0.000 0.541 552 I N -0.127 120.573 120.570 0.217 0.000 2.202 552 I HA -0.266 3.907 4.170 0.004 0.000 0.242 552 I C 2.385 178.548 176.117 0.075 0.000 1.091 552 I CA 1.316 62.695 61.300 0.132 0.000 1.368 552 I CB -0.201 37.872 38.000 0.122 0.000 1.058 552 I HN 0.035 nan 8.210 nan 0.000 0.410 553 K N 1.064 121.496 120.400 0.053 0.000 2.057 553 K HA -0.201 4.122 4.320 0.004 0.000 0.207 553 K C 2.234 178.843 176.600 0.015 0.000 1.049 553 K CA 1.418 57.719 56.287 0.024 0.000 0.931 553 K CB -0.177 32.326 32.500 0.005 0.000 0.714 553 K HN 0.043 nan 8.250 nan 0.000 0.440 554 R N 0.512 121.021 120.500 0.014 0.000 2.073 554 R HA -0.120 4.223 4.340 0.004 0.000 0.234 554 R C 1.912 178.215 176.300 0.005 0.000 1.134 554 R CA 1.961 58.066 56.100 0.008 0.000 0.952 554 R CB -0.083 30.226 30.300 0.014 0.000 0.850 554 R HN 0.296 nan 8.270 nan 0.000 0.433 555 E N -0.212 119.998 120.200 0.018 0.000 2.106 555 E HA -0.241 4.112 4.350 0.004 0.000 0.192 555 E C 2.023 178.594 176.600 -0.049 0.000 0.984 555 E CA 1.091 57.466 56.400 -0.041 0.000 0.806 555 E CB 0.039 29.727 29.700 -0.019 0.000 0.750 555 E HN 0.412 nan 8.360 nan 0.000 0.458 556 Q N 0.270 120.073 119.800 0.005 0.000 2.230 556 Q HA -0.125 4.217 4.340 0.004 0.000 0.202 556 Q C 2.023 178.038 176.000 0.024 0.000 0.963 556 Q CA 0.507 56.327 55.803 0.028 0.000 0.866 556 Q CB 0.163 28.923 28.738 0.037 0.000 0.931 556 Q HN 0.138 nan 8.270 nan 0.000 0.452 557 L N -0.809 120.419 121.223 0.009 0.000 2.056 557 L HA -0.139 4.203 4.340 0.004 0.000 0.207 557 L C 2.007 178.883 176.870 0.009 0.000 1.078 557 L CA 1.172 56.017 54.840 0.009 0.000 0.749 557 L CB -0.247 41.813 42.059 0.002 0.000 0.901 557 L HN 0.090 nan 8.230 nan 0.000 0.433 558 V N -0.802 119.104 119.914 -0.013 0.000 2.379 558 V HA -0.196 3.927 4.120 0.004 0.000 0.245 558 V C 2.646 178.766 176.094 0.044 0.000 1.044 558 V CA 1.344 63.634 62.300 -0.016 0.000 1.036 558 V CB -1.312 30.461 31.823 -0.083 0.000 0.664 558 V HN 0.487 nan 8.190 nan 0.000 0.453 559 A N 0.063 122.925 122.820 0.070 0.000 2.019 559 A HA -0.251 4.071 4.320 0.004 0.000 0.219 559 A C 1.874 179.547 177.584 0.147 0.000 1.164 559 A CA 2.114 54.315 52.037 0.273 0.000 0.644 559 A CB -0.559 18.607 19.000 0.277 0.000 0.805 559 A HN 0.537 nan 8.150 nan 0.000 0.449 560 D N -1.273 119.177 120.400 0.083 0.000 2.234 560 D HA -0.035 4.607 4.640 0.004 0.000 0.205 560 D C 2.045 178.373 176.300 0.047 0.000 0.962 560 D CA 0.781 54.815 54.000 0.057 0.000 0.855 560 D CB -0.159 40.666 40.800 0.040 0.000 0.951 560 D HN 0.513 nan 8.370 nan 0.000 0.500 561 R N 0.495 121.023 120.500 0.048 0.000 2.062 561 R HA 0.007 4.349 4.340 0.004 0.000 0.229 561 R C 1.979 178.304 176.300 0.042 0.000 1.128 561 R CA 0.855 56.977 56.100 0.038 0.000 0.960 561 R CB -0.164 30.154 30.300 0.031 0.000 0.855 561 R HN 0.152 nan 8.270 nan 0.000 0.432 562 I N 0.917 121.528 120.570 0.067 0.000 2.614 562 I HA -0.153 4.020 4.170 0.004 0.000 0.258 562 I C 2.425 178.562 176.117 0.033 0.000 1.189 562 I CA 0.804 62.138 61.300 0.056 0.000 1.462 562 I CB -0.362 37.694 38.000 0.093 0.000 1.092 562 I HN 0.284 nan 8.210 nan 0.000 0.442 563 A N 1.519 124.365 122.820 0.044 0.000 1.855 563 A HA -0.161 4.162 4.320 0.004 0.000 0.215 563 A C 2.458 180.060 177.584 0.030 0.000 1.191 563 A CA 1.242 53.300 52.037 0.035 0.000 0.613 563 A CB -0.493 18.532 19.000 0.043 0.000 0.829 563 A HN 0.268 nan 8.150 nan 0.000 0.442 564 R N -0.341 120.176 120.500 0.027 0.000 2.080 564 R HA -0.091 4.252 4.340 0.004 0.000 0.236 564 R C 2.018 178.323 176.300 0.009 0.000 1.137 564 R CA 1.680 57.793 56.100 0.020 0.000 0.943 564 R CB -0.670 29.641 30.300 0.017 0.000 0.846 564 R HN 0.511 nan 8.270 nan 0.000 0.431 565 L N 0.612 121.837 121.223 0.002 0.000 2.275 565 L HA -0.137 4.206 4.340 0.004 0.000 0.215 565 L C 1.910 178.754 176.870 -0.043 0.000 1.119 565 L CA 0.681 55.511 54.840 -0.017 0.000 0.790 565 L CB -0.484 41.569 42.059 -0.009 0.000 0.919 565 L HN 0.183 nan 8.230 nan 0.000 0.443 566 D N 0.623 121.010 120.400 -0.022 0.000 2.084 566 D HA -0.117 4.526 4.640 0.004 0.000 0.194 566 D C 1.373 177.644 176.300 -0.049 0.000 0.990 566 D CA 1.676 55.662 54.000 -0.023 0.000 0.826 566 D CB 0.092 40.907 40.800 0.026 0.000 0.971 566 D HN 0.328 nan 8.370 nan 0.000 0.453 567 S N 0.369 116.088 115.700 0.031 0.000 3.548 567 S HA 0.378 4.851 4.470 0.004 0.000 0.195 567 S C 0.299 174.931 174.600 0.054 0.000 1.432 567 S CA -0.426 57.854 58.200 0.135 0.000 1.087 567 S CB -0.304 62.993 63.200 0.160 0.000 1.337 567 S HN 0.097 nan 8.310 nan 0.000 0.505 568 L N 2.568 123.726 121.223 -0.108 0.000 2.637 568 L HA 0.355 4.697 4.340 0.004 0.000 0.241 568 L C 0.384 177.172 176.870 -0.136 0.000 1.398 568 L CA -0.288 54.506 54.840 -0.075 0.000 0.895 568 L CB 0.197 42.217 42.059 -0.065 0.000 1.183 568 L HN 0.576 nan 8.230 nan 0.000 0.497 569 H N 1.652 120.730 119.070 0.013 0.000 2.610 569 H HA 0.163 4.722 4.556 0.004 0.000 0.302 569 H C 1.597 176.931 175.328 0.010 0.000 1.063 569 H CA 0.326 56.386 56.048 0.020 0.000 1.159 569 H CB 0.544 30.319 29.762 0.022 0.000 1.427 569 H HN 0.675 nan 8.280 nan 0.000 0.553 570 I N -0.476 120.131 120.570 0.060 0.000 2.852 570 I HA 0.088 4.261 4.170 0.004 0.000 0.264 570 I C -0.929 175.173 176.117 -0.026 0.000 1.179 570 I CA -0.231 61.077 61.300 0.014 0.000 1.480 570 I CB -1.204 36.783 38.000 -0.022 0.000 1.111 570 I HN -0.118 nan 8.210 nan 0.000 0.441 571 P HA -0.019 nan 4.420 nan 0.000 0.269 571 P C 0.497 177.868 177.300 0.120 0.000 1.601 571 P CA 0.448 63.506 63.100 -0.070 0.000 0.831 571 P CB -0.206 31.487 31.700 -0.012 0.000 1.688 572 D N 1.134 121.584 120.400 0.083 0.000 2.087 572 D HA -0.147 4.495 4.640 0.004 0.000 0.192 572 D C 0.140 176.512 176.300 0.119 0.000 0.993 572 D CA 1.096 55.156 54.000 0.101 0.000 0.828 572 D CB 0.088 40.928 40.800 0.067 0.000 0.968 572 D HN 0.079 nan 8.370 nan 0.000 0.448 573 N N -0.584 118.183 118.700 0.111 0.000 3.044 573 N HA 0.233 4.976 4.740 0.004 0.000 0.254 573 N C -1.389 174.225 175.510 0.174 0.000 1.253 573 N CA -0.375 52.734 53.050 0.100 0.000 0.944 573 N CB -0.131 38.388 38.487 0.053 0.000 1.217 573 N HN 0.151 nan 8.380 nan 0.000 0.498 574 F N -0.644 119.235 119.950 -0.118 0.000 2.665 574 F HA 0.547 5.076 4.527 0.004 0.000 0.308 574 F C -1.197 174.467 175.800 -0.227 0.000 1.112 574 F CA -1.304 56.606 58.000 -0.150 0.000 0.972 574 F CB 0.935 39.843 39.000 -0.154 0.000 1.295 574 F HN -0.142 nan 8.300 nan 0.000 0.440 575 N N 1.621 120.011 118.700 -0.516 0.000 2.513 575 N HA 0.221 4.963 4.740 0.004 0.000 0.274 575 N C -0.311 174.661 175.510 -0.897 0.000 1.189 575 N CA -0.350 52.361 53.050 -0.564 0.000 0.975 575 N CB 0.487 38.844 38.487 -0.217 0.000 1.157 575 N HN 0.669 nan 8.380 nan 0.000 0.465 576 Y N -0.250 119.747 120.300 -0.504 0.000 2.529 576 Y HA 0.031 4.583 4.550 0.004 0.000 0.290 576 Y C 0.894 176.690 175.900 -0.174 0.000 1.177 576 Y CA 0.241 58.125 58.100 -0.359 0.000 1.305 576 Y CB 0.137 38.449 38.460 -0.248 0.000 1.047 576 Y HN 0.514 nan 8.280 nan 0.000 0.522 577 D N -0.576 119.797 120.400 -0.045 0.000 2.149 577 D HA -0.092 4.551 4.640 0.004 0.000 0.201 577 D C 1.068 177.369 176.300 0.001 0.000 0.972 577 D CA 1.213 55.205 54.000 -0.014 0.000 0.835 577 D CB -0.330 40.454 40.800 -0.026 0.000 0.966 577 D HN 0.193 nan 8.370 nan 0.000 0.476 578 S N 0.375 116.072 115.700 -0.004 0.000 3.940 578 S HA 0.465 4.938 4.470 0.004 0.000 0.210 578 S C -0.064 174.594 174.600 0.096 0.000 1.419 578 S CA -0.636 57.592 58.200 0.045 0.000 0.912 578 S CB -0.491 62.746 63.200 0.062 0.000 1.489 578 S HN 0.108 nan 8.310 nan 0.000 0.469 579 L N 2.174 123.447 121.223 0.083 0.000 2.639 579 L HA 0.392 4.735 4.340 0.004 0.000 0.264 579 L C 0.407 177.321 176.870 0.072 0.000 0.948 579 L CA -0.432 54.473 54.840 0.108 0.000 0.912 579 L CB 1.935 44.092 42.059 0.163 0.000 1.294 579 L HN 0.404 nan 8.230 nan 0.000 0.412 580 N N 0.701 119.436 118.700 0.058 0.000 2.105 580 N HA -0.106 4.636 4.740 0.004 0.000 0.190 580 N C 1.116 176.646 175.510 0.034 0.000 1.066 580 N CA 1.713 54.787 53.050 0.039 0.000 0.861 580 N CB 0.158 38.663 38.487 0.031 0.000 1.048 580 N HN 0.475 nan 8.380 nan 0.000 0.442 581 S N 0.030 115.749 115.700 0.032 0.000 2.768 581 S HA 0.247 4.720 4.470 0.004 0.000 0.246 581 S C 1.334 175.950 174.600 0.025 0.000 1.006 581 S CA -0.351 57.863 58.200 0.024 0.000 1.075 581 S CB -0.793 62.419 63.200 0.020 0.000 0.786 581 S HN 0.274 nan 8.310 nan 0.000 0.468 582 L N 0.435 121.676 121.223 0.031 0.000 2.046 582 L HA 0.047 4.389 4.340 0.004 0.000 0.203 582 L C 2.536 179.416 176.870 0.017 0.000 1.111 582 L CA 1.226 56.085 54.840 0.032 0.000 0.769 582 L CB -0.780 41.309 42.059 0.050 0.000 0.914 582 L HN 0.508 nan 8.230 nan 0.000 0.448 583 S N -1.414 114.292 115.700 0.011 0.000 2.306 583 S HA 0.039 4.512 4.470 0.004 0.000 0.173 583 S C 1.304 175.901 174.600 -0.006 0.000 1.105 583 S CA 0.330 58.529 58.200 -0.001 0.000 1.383 583 S CB -0.010 63.184 63.200 -0.009 0.000 0.808 583 S HN 0.414 nan 8.310 nan 0.000 0.424 584 S N 1.291 116.985 115.700 -0.009 0.000 4.046 584 S HA -0.383 4.089 4.470 0.004 0.000 0.572 584 S C 1.303 175.890 174.600 -0.022 0.000 2.022 584 S CA 1.377 59.568 58.200 -0.014 0.000 4.201 584 S CB -1.750 61.443 63.200 -0.012 0.000 0.438 584 S HN 0.768 nan 8.310 nan 0.000 0.618 585 E N 0.627 120.813 120.200 -0.022 0.000 2.136 585 E HA -0.254 4.098 4.350 0.004 0.000 0.208 585 E C 2.120 178.700 176.600 -0.035 0.000 1.035 585 E CA 1.557 57.940 56.400 -0.028 0.000 0.838 585 E CB -0.893 28.794 29.700 -0.021 0.000 0.748 585 E HN 0.655 nan 8.360 nan 0.000 0.459 586 G N 0.436 109.220 108.800 -0.027 0.000 2.442 586 G HA2 -0.327 3.636 3.960 0.004 0.000 0.219 586 G HA3 -0.327 3.636 3.960 0.004 0.000 0.219 586 G C 1.584 176.450 174.900 -0.057 0.000 1.141 586 G CA 0.909 45.991 45.100 -0.030 0.000 0.763 586 G HN 0.206 nan 8.290 nan 0.000 0.554 587 R N 0.371 120.838 120.500 -0.055 0.000 2.153 587 R HA 0.045 4.387 4.340 0.004 0.000 0.218 587 R C 2.246 178.459 176.300 -0.145 0.000 1.072 587 R CA 0.921 56.969 56.100 -0.087 0.000 0.990 587 R CB -0.097 30.183 30.300 -0.033 0.000 0.889 587 R HN 0.399 nan 8.270 nan 0.000 0.452 588 E N 0.158 120.293 120.200 -0.108 0.000 2.158 588 E HA -0.105 4.248 4.350 0.004 0.000 0.191 588 E C 1.621 178.134 176.600 -0.146 0.000 0.982 588 E CA 0.579 56.907 56.400 -0.121 0.000 0.823 588 E CB 0.203 29.850 29.700 -0.088 0.000 0.766 588 E HN 0.191 nan 8.360 nan 0.000 0.468 589 K N 0.767 121.105 120.400 -0.104 0.000 2.155 589 K HA -0.017 4.306 4.320 0.004 0.000 0.203 589 K C 2.249 178.804 176.600 -0.075 0.000 1.052 589 K CA 0.440 56.709 56.287 -0.030 0.000 0.948 589 K CB -0.080 32.449 32.500 0.048 0.000 0.728 589 K HN 0.180 nan 8.250 nan 0.000 0.448 590 L N 0.515 121.591 121.223 -0.244 0.000 2.056 590 L HA -0.132 4.211 4.340 0.004 0.000 0.207 590 L C 2.360 178.823 176.870 -0.680 0.000 1.078 590 L CA 0.911 55.440 54.840 -0.519 0.000 0.749 590 L CB -0.390 41.184 42.059 -0.808 0.000 0.901 590 L HN 0.067 nan 8.230 nan 0.000 0.433 591 L N -0.412 120.487 121.223 -0.540 0.000 2.156 591 L HA -0.179 4.163 4.340 0.004 0.000 0.208 591 L C 2.628 179.341 176.870 -0.262 0.000 1.095 591 L CA 1.066 55.698 54.840 -0.348 0.000 0.770 591 L CB -0.352 41.580 42.059 -0.212 0.000 0.914 591 L HN 0.210 nan 8.230 nan 0.000 0.439 592 K N -0.798 119.426 120.400 -0.295 0.000 1.991 592 K HA -0.146 4.176 4.320 0.004 0.000 0.207 592 K C 2.249 178.595 176.600 -0.423 0.000 1.045 592 K CA 1.157 57.215 56.287 -0.381 0.000 0.937 592 K CB -0.016 32.196 32.500 -0.480 0.000 0.720 592 K HN 0.328 nan 8.250 nan 0.000 0.438 593 H N -0.204 118.737 119.070 -0.216 0.000 2.403 593 H HA 0.021 4.579 4.556 0.004 0.000 0.298 593 H C 0.374 175.617 175.328 -0.142 0.000 1.059 593 H CA 1.001 56.941 56.048 -0.180 0.000 1.363 593 H CB 0.189 29.873 29.762 -0.130 0.000 1.410 593 H HN 0.096 nan 8.280 nan 0.000 0.528 594 R N 0.930 121.407 120.500 -0.038 0.000 3.084 594 R HA -0.093 4.249 4.340 0.004 0.000 0.258 594 R C -2.851 173.504 176.300 0.091 0.000 0.914 594 R CA -0.178 55.934 56.100 0.021 0.000 0.646 594 R CB -1.682 28.625 30.300 0.012 0.000 1.330 594 R HN 0.257 nan 8.270 nan 0.000 0.465 595 P HA 0.173 nan 4.420 nan 0.000 0.271 595 P C 0.314 177.686 177.300 0.120 0.000 1.220 595 P CA 0.446 63.603 63.100 0.094 0.000 0.768 595 P CB 1.305 33.046 31.700 0.069 0.000 0.848 596 A N 2.822 125.699 122.820 0.096 0.000 1.855 596 A HA -0.013 4.310 4.320 0.004 0.000 0.215 596 A C 1.217 178.826 177.584 0.041 0.000 1.191 596 A CA 1.661 53.762 52.037 0.108 0.000 0.613 596 A CB -0.833 18.251 19.000 0.140 0.000 0.829 596 A HN 0.545 nan 8.150 nan 0.000 0.442 597 T N -1.388 113.135 114.554 -0.053 0.000 2.888 597 T HA 0.474 4.826 4.350 0.004 0.000 0.284 597 T C 1.073 175.725 174.700 -0.080 0.000 1.017 597 T CA -0.070 61.908 62.100 -0.204 0.000 1.022 597 T CB 0.903 69.525 68.868 -0.410 0.000 1.013 597 T HN 0.541 nan 8.240 nan 0.000 0.465 598 I N 2.003 122.529 120.570 -0.074 0.000 2.830 598 I HA 0.285 4.458 4.170 0.004 0.000 0.263 598 I C 1.977 178.080 176.117 -0.023 0.000 1.230 598 I CA 1.032 62.323 61.300 -0.015 0.000 1.480 598 I CB -0.429 37.570 38.000 -0.002 0.000 1.095 598 I HN 0.654 nan 8.210 nan 0.000 0.455 599 G N 0.628 109.399 108.800 -0.050 0.000 2.402 599 G HA2 -0.255 3.707 3.960 0.004 0.000 0.216 599 G HA3 -0.255 3.707 3.960 0.004 0.000 0.216 599 G C 1.608 176.490 174.900 -0.030 0.000 1.162 599 G CA 0.743 45.822 45.100 -0.035 0.000 0.777 599 G HN 0.554 nan 8.290 nan 0.000 0.539 600 Q N 0.261 120.039 119.800 -0.037 0.000 2.181 600 Q HA -0.042 4.301 4.340 0.004 0.000 0.205 600 Q C 2.671 178.651 176.000 -0.034 0.000 0.980 600 Q CA 1.402 57.187 55.803 -0.030 0.000 0.862 600 Q CB -0.257 28.471 28.738 -0.017 0.000 0.905 600 Q HN 0.422 nan 8.270 nan 0.000 0.429 601 A N 0.494 123.303 122.820 -0.018 0.000 2.014 601 A HA -0.112 4.210 4.320 0.004 0.000 0.218 601 A C 2.078 179.647 177.584 -0.024 0.000 1.163 601 A CA 1.420 53.449 52.037 -0.013 0.000 0.652 601 A CB -0.379 18.638 19.000 0.030 0.000 0.808 601 A HN 0.544 nan 8.150 nan 0.000 0.449 602 S N -0.879 114.810 115.700 -0.018 0.000 2.562 602 S HA 0.051 4.524 4.470 0.004 0.000 0.221 602 S C 1.507 176.092 174.600 -0.026 0.000 0.975 602 S CA 0.448 58.639 58.200 -0.016 0.000 0.918 602 S CB -0.177 63.019 63.200 -0.005 0.000 0.772 602 S HN 0.610 nan 8.310 nan 0.000 0.531 603 R N 0.302 120.777 120.500 -0.041 0.000 2.334 603 R HA 0.329 4.672 4.340 0.004 0.000 0.212 603 R C -0.289 175.962 176.300 -0.082 0.000 0.897 603 R CA -0.161 55.910 56.100 -0.050 0.000 1.056 603 R CB 0.149 30.421 30.300 -0.047 0.000 1.046 603 R HN 0.368 nan 8.270 nan 0.000 0.513 604 I N 2.063 122.567 120.570 -0.110 0.000 2.533 604 I HA -0.084 4.089 4.170 0.004 0.000 0.284 604 I C 1.586 177.647 176.117 -0.093 0.000 1.109 604 I CA 0.167 61.369 61.300 -0.164 0.000 1.412 604 I CB 0.530 38.406 38.000 -0.206 0.000 1.396 604 I HN 0.148 nan 8.210 nan 0.000 0.543 605 L N 5.927 127.102 121.223 -0.080 0.000 2.362 605 L HA -0.059 4.283 4.340 0.004 0.000 0.219 605 L C 2.140 178.995 176.870 -0.026 0.000 1.134 605 L CA 1.245 56.060 54.840 -0.041 0.000 0.807 605 L CB -0.107 41.934 42.059 -0.029 0.000 0.927 605 L HN 0.842 nan 8.230 nan 0.000 0.447 606 G N -0.832 107.954 108.800 -0.024 0.000 2.394 606 G HA2 -0.102 3.861 3.960 0.004 0.000 0.215 606 G HA3 -0.102 3.861 3.960 0.004 0.000 0.215 606 G C 0.720 175.609 174.900 -0.017 0.000 1.165 606 G CA 0.576 45.669 45.100 -0.012 0.000 0.784 606 G HN 0.251 nan 8.290 nan 0.000 0.535 607 V N 1.178 121.078 119.914 -0.023 0.000 2.686 607 V HA 0.614 4.736 4.120 0.004 0.000 0.295 607 V C 0.224 176.311 176.094 -0.012 0.000 1.055 607 V CA -0.408 61.882 62.300 -0.018 0.000 1.050 607 V CB 1.255 33.066 31.823 -0.019 0.000 0.984 607 V HN 0.403 nan 8.190 nan 0.000 0.482 608 S N 3.820 119.517 115.700 -0.005 0.000 2.687 608 S HA 0.612 5.085 4.470 0.004 0.000 0.283 608 S C -1.774 172.827 174.600 0.002 0.000 1.170 608 S CA -1.166 57.033 58.200 -0.002 0.000 1.008 608 S CB 1.205 64.405 63.200 -0.000 0.000 1.026 608 S HN 0.663 nan 8.310 nan 0.000 0.541 609 P HA 0.002 nan 4.420 nan 0.000 0.218 609 P C 1.235 178.539 177.300 0.007 0.000 1.148 609 P CA 1.028 64.131 63.100 0.005 0.000 0.822 609 P CB -0.068 31.634 31.700 0.004 0.000 0.784 610 S N -0.861 114.843 115.700 0.007 0.000 2.453 610 S HA -0.092 4.381 4.470 0.004 0.000 0.231 610 S C 1.349 175.958 174.600 0.014 0.000 1.005 610 S CA 1.159 59.364 58.200 0.010 0.000 0.949 610 S CB -0.745 62.459 63.200 0.008 0.000 0.774 610 S HN 0.205 nan 8.310 nan 0.000 0.510 611 D N 0.786 121.195 120.400 0.016 0.000 2.137 611 D HA -0.009 4.633 4.640 0.004 0.000 0.202 611 D C 1.879 178.200 176.300 0.034 0.000 0.970 611 D CA 0.479 54.494 54.000 0.025 0.000 0.837 611 D CB -0.368 40.444 40.800 0.020 0.000 0.981 611 D HN 0.150 nan 8.370 nan 0.000 0.475 612 V N 0.080 120.010 119.914 0.027 0.000 2.759 612 V HA -0.172 3.951 4.120 0.004 0.000 0.256 612 V C 1.864 177.974 176.094 0.026 0.000 1.080 612 V CA 1.609 63.928 62.300 0.031 0.000 1.101 612 V CB -0.263 31.573 31.823 0.020 0.000 0.698 612 V HN 0.094 nan 8.190 nan 0.000 0.477 613 S N 0.279 115.991 115.700 0.020 0.000 2.423 613 S HA 0.010 4.483 4.470 0.004 0.000 0.231 613 S C 1.548 176.159 174.600 0.018 0.000 1.014 613 S CA 1.668 59.877 58.200 0.016 0.000 0.965 613 S CB -0.245 62.962 63.200 0.012 0.000 0.785 613 S HN 0.714 nan 8.310 nan 0.000 0.495 614 I N 0.154 120.740 120.570 0.027 0.000 3.419 614 I HA 0.081 4.253 4.170 0.004 0.000 0.286 614 I C 1.678 177.820 176.117 0.043 0.000 1.268 614 I CA 0.406 61.725 61.300 0.032 0.000 1.414 614 I CB -0.068 37.954 38.000 0.037 0.000 1.074 614 I HN 0.157 nan 8.210 nan 0.000 0.457 615 L N -0.017 121.236 121.223 0.051 0.000 2.446 615 L HA 0.137 4.479 4.340 0.004 0.000 0.219 615 L C 2.191 179.071 176.870 0.017 0.000 1.116 615 L CA 1.195 56.072 54.840 0.061 0.000 0.844 615 L CB -0.060 42.057 42.059 0.097 0.000 0.970 615 L HN 0.167 nan 8.230 nan 0.000 0.457 616 M N -0.925 118.681 119.600 0.009 0.000 2.429 616 M HA 0.062 4.544 4.480 0.004 0.000 0.265 616 M C 1.753 178.044 176.300 -0.014 0.000 1.120 616 M CA 0.906 56.202 55.300 -0.006 0.000 1.173 616 M CB -0.064 32.535 32.600 -0.001 0.000 1.343 616 M HN 0.236 nan 8.290 nan 0.000 0.464 617 I N -1.739 118.828 120.570 -0.006 0.000 3.493 617 I HA -0.091 4.082 4.170 0.004 0.000 0.311 617 I C 1.618 177.724 176.117 -0.019 0.000 1.210 617 I CA 0.644 61.938 61.300 -0.010 0.000 1.210 617 I CB -0.301 37.698 38.000 -0.002 0.000 0.993 617 I HN 0.194 nan 8.210 nan 0.000 0.539 618 R N 0.219 120.699 120.500 -0.034 0.000 2.437 618 R HA 0.478 4.820 4.340 0.004 0.000 0.184 618 R C 0.695 176.933 176.300 -0.102 0.000 0.850 618 R CA 0.256 56.319 56.100 -0.062 0.000 1.073 618 R CB 0.315 30.580 30.300 -0.059 0.000 1.336 618 R HN 0.319 nan 8.270 nan 0.000 0.640 619 L N 0.000 121.162 121.223 -0.101 0.000 2.949 619 L HA 0.000 4.343 4.340 0.004 0.000 0.249 619 L CA 0.000 54.768 54.840 -0.121 0.000 0.813 619 L CB 0.000 41.978 42.059 -0.135 0.000 0.961 619 L HN 0.000 nan 8.230 nan 0.000 0.502