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_A 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 0.000 175.251 175.328 -0.129 0.000 0.993 0 H CA 0.000 56.001 56.048 -0.078 0.000 1.023 0 H CB 0.000 29.714 29.762 -0.079 0.000 1.292 1 M N 1.471 120.862 119.600 -0.348 0.000 2.555 1 M HA 0.526 5.007 4.480 0.002 0.000 0.265 1 M C -0.891 175.182 176.300 -0.378 0.000 1.020 1 M CA -0.911 54.240 55.300 -0.249 0.000 1.162 1 M CB 1.252 33.789 32.600 -0.104 0.000 1.557 1 M HN 0.406 nan 8.290 nan 0.000 0.643 2 Y N 0.895 121.121 120.300 -0.123 0.000 2.374 2 Y HA 0.231 4.782 4.550 0.001 0.000 0.322 2 Y C 0.844 176.724 175.900 -0.032 0.000 1.275 2 Y CA -0.111 57.933 58.100 -0.093 0.000 1.307 2 Y CB 0.691 39.127 38.460 -0.039 0.000 1.282 2 Y HN 0.572 nan 8.280 nan 0.000 0.509 3 D N 0.006 120.534 120.400 0.212 0.000 2.355 3 D HA 0.059 4.700 4.640 0.002 0.000 0.233 3 D C -0.499 175.885 176.300 0.140 0.000 0.997 3 D CA 1.082 55.166 54.000 0.139 0.000 0.920 3 D CB 0.071 40.944 40.800 0.123 0.000 1.063 3 D HN 0.126 nan 8.370 nan 0.000 0.465 4 V N 2.571 122.555 119.914 0.118 0.000 2.487 4 V HA 0.349 4.470 4.120 0.002 0.000 0.298 4 V C -0.033 176.069 176.094 0.013 0.000 1.028 4 V CA -0.884 61.436 62.300 0.034 0.000 0.860 4 V CB 1.955 33.758 31.823 -0.033 0.000 0.991 4 V HN 0.100 nan 8.190 nan 0.000 0.427 5 I N 2.877 123.433 120.570 -0.023 0.000 2.362 5 I HA 0.722 4.893 4.170 0.002 0.000 0.289 5 I C -0.690 175.374 176.117 -0.087 0.000 0.994 5 I CA -0.683 60.571 61.300 -0.076 0.000 1.158 5 I CB 1.753 39.714 38.000 -0.065 0.000 1.315 5 I HN 0.256 nan 8.210 nan 0.000 0.451 6 V N 7.175 127.038 119.914 -0.085 0.000 2.333 6 V HA 0.265 4.386 4.120 0.002 0.000 0.274 6 V C 0.456 176.514 176.094 -0.061 0.000 1.028 6 V CA -0.688 61.571 62.300 -0.068 0.000 0.851 6 V CB 1.171 32.961 31.823 -0.055 0.000 1.000 6 V HN 0.678 nan 8.190 nan 0.000 0.456 7 V N 3.130 123.013 119.914 -0.052 0.000 2.432 7 V HA 0.973 5.094 4.120 0.002 0.000 0.275 7 V C 0.410 176.483 176.094 -0.035 0.000 1.043 7 V CA 0.352 62.623 62.300 -0.048 0.000 0.925 7 V CB 0.521 32.316 31.823 -0.046 0.000 0.985 7 V HN 1.715 nan 8.190 nan 0.000 0.466 8 G N 3.533 112.308 108.800 -0.041 0.000 3.307 8 G HA2 0.347 4.308 3.960 0.002 0.000 0.686 8 G HA3 0.347 4.308 3.960 0.002 0.000 0.686 8 G C -0.065 174.823 174.900 -0.020 0.000 0.983 8 G CA -0.195 44.891 45.100 -0.022 0.000 0.804 8 G HN 2.339 nan 8.290 nan 0.000 0.531 9 A N 2.259 125.060 122.820 -0.031 0.000 3.264 9 A HA 0.791 5.112 4.320 0.002 0.000 0.299 9 A C 1.341 178.895 177.584 -0.051 0.000 1.272 9 A CA 1.071 53.084 52.037 -0.040 0.000 1.030 9 A CB -0.220 18.749 19.000 -0.053 0.000 1.102 9 A HN 2.075 nan 8.150 nan 0.000 0.615 10 G N -0.862 107.921 108.800 -0.028 0.000 2.630 10 G HA2 0.338 4.299 3.960 0.002 0.000 0.223 10 G HA3 0.338 4.299 3.960 0.002 0.000 0.223 10 G C 0.605 175.414 174.900 -0.151 0.000 1.434 10 G CA -0.092 44.949 45.100 -0.099 0.000 1.057 10 G HN 0.576 nan 8.290 nan 0.000 0.570 11 H N -0.458 118.660 119.070 0.079 0.000 2.395 11 H HA 0.127 4.683 4.556 0.001 0.000 0.299 11 H C 2.671 178.052 175.328 0.088 0.000 1.070 11 H CA 1.488 57.590 56.048 0.091 0.000 1.356 11 H CB 0.010 29.840 29.762 0.114 0.000 1.401 11 H HN 0.397 nan 8.280 nan 0.000 0.524 12 A N 0.561 123.498 122.820 0.195 0.000 1.872 12 A HA -0.048 4.273 4.320 0.002 0.000 0.214 12 A C 2.692 180.325 177.584 0.082 0.000 1.187 12 A CA 1.378 53.496 52.037 0.134 0.000 0.614 12 A CB -1.244 17.832 19.000 0.127 0.000 0.826 12 A HN 0.485 nan 8.150 nan 0.000 0.442 13 G N -0.674 108.160 108.800 0.056 0.000 2.476 13 G HA2 -0.319 3.642 3.960 0.002 0.000 0.218 13 G HA3 -0.319 3.642 3.960 0.002 0.000 0.218 13 G C 1.617 176.521 174.900 0.007 0.000 1.164 13 G CA 1.407 46.519 45.100 0.019 0.000 0.768 13 G HN 0.518 nan 8.290 nan 0.000 0.560 14 C N 0.237 119.541 119.300 0.007 0.000 2.442 14 C HA -0.001 4.460 4.460 0.002 0.000 0.279 14 C C 2.817 177.819 174.990 0.021 0.000 1.237 14 C CA 1.005 60.025 59.018 0.003 0.000 1.722 14 C CB -0.630 27.110 27.740 0.000 0.000 2.056 14 C HN 0.480 nan 8.230 nan 0.000 0.469 15 E N 0.929 121.159 120.200 0.050 0.000 2.171 15 E HA -0.176 4.175 4.350 0.002 0.000 0.197 15 E C 2.251 178.868 176.600 0.029 0.000 0.997 15 E CA 1.545 57.977 56.400 0.054 0.000 0.810 15 E CB -0.574 29.177 29.700 0.085 0.000 0.738 15 E HN 0.697 nan 8.360 nan 0.000 0.467 16 A N 1.613 124.445 122.820 0.020 0.000 1.832 16 A HA -0.038 4.283 4.320 0.002 0.000 0.214 16 A C 2.481 180.049 177.584 -0.026 0.000 1.200 16 A CA 2.100 54.131 52.037 -0.011 0.000 0.610 16 A CB -0.841 18.151 19.000 -0.013 0.000 0.842 16 A HN 0.278 nan 8.150 nan 0.000 0.444 17 A N -0.453 122.354 122.820 -0.022 0.000 1.908 17 A HA -0.083 4.238 4.320 0.002 0.000 0.218 17 A C 2.200 179.774 177.584 -0.018 0.000 1.181 17 A CA 1.626 53.648 52.037 -0.025 0.000 0.627 17 A CB -0.683 18.301 19.000 -0.027 0.000 0.818 17 A HN 0.482 nan 8.150 nan 0.000 0.445 18 L N -1.019 120.198 121.223 -0.010 0.000 2.083 18 L HA -0.185 4.156 4.340 0.002 0.000 0.209 18 L C 3.077 179.943 176.870 -0.006 0.000 1.083 18 L CA 1.014 55.850 54.840 -0.005 0.000 0.752 18 L CB -0.470 41.593 42.059 0.006 0.000 0.899 18 L HN 0.453 nan 8.230 nan 0.000 0.433 19 A N -0.542 122.273 122.820 -0.008 0.000 1.930 19 A HA -0.113 4.208 4.320 0.002 0.000 0.217 19 A C 2.301 179.868 177.584 -0.030 0.000 1.175 19 A CA 1.429 53.457 52.037 -0.015 0.000 0.627 19 A CB -0.660 18.331 19.000 -0.014 0.000 0.815 19 A HN 0.185 nan 8.150 nan 0.000 0.443 20 V N -0.144 119.748 119.914 -0.037 0.000 2.358 20 V HA -0.224 3.897 4.120 0.002 0.000 0.246 20 V C 3.019 179.102 176.094 -0.018 0.000 1.047 20 V CA 1.931 64.209 62.300 -0.038 0.000 1.035 20 V CB -1.206 30.593 31.823 -0.041 0.000 0.658 20 V HN 0.610 nan 8.190 nan 0.000 0.452 21 A N 0.230 123.041 122.820 -0.014 0.000 1.841 21 A HA -0.189 4.132 4.320 0.002 0.000 0.214 21 A C 2.327 179.898 177.584 -0.022 0.000 1.195 21 A CA 1.675 53.703 52.037 -0.016 0.000 0.611 21 A CB -0.537 18.453 19.000 -0.017 0.000 0.835 21 A HN 0.473 nan 8.150 nan 0.000 0.443 22 R N -0.551 119.937 120.500 -0.020 0.000 2.200 22 R HA -0.096 4.245 4.340 0.002 0.000 0.234 22 R C 1.839 178.120 176.300 -0.031 0.000 1.127 22 R CA 0.871 56.958 56.100 -0.021 0.000 0.989 22 R CB -0.465 29.827 30.300 -0.013 0.000 0.869 22 R HN 0.512 nan 8.270 nan 0.000 0.459 23 G N -0.414 108.367 108.800 -0.032 0.000 3.026 23 G HA2 0.155 4.116 3.960 0.002 0.000 0.208 23 G HA3 0.155 4.116 3.960 0.002 0.000 0.208 23 G C 0.714 175.596 174.900 -0.031 0.000 1.169 23 G CA 0.249 45.326 45.100 -0.038 0.000 0.788 23 G HN 0.425 nan 8.290 nan 0.000 0.533 24 G N -0.962 107.822 108.800 -0.026 0.000 2.225 24 G HA2 -0.184 3.777 3.960 0.002 0.000 0.264 24 G HA3 -0.184 3.777 3.960 0.002 0.000 0.264 24 G C -0.174 174.725 174.900 -0.002 0.000 1.060 24 G CA 0.202 45.289 45.100 -0.020 0.000 0.833 24 G HN 0.452 nan 8.290 nan 0.000 0.498 25 L N -0.315 120.914 121.223 0.010 0.000 2.370 25 L HA 0.581 4.922 4.340 0.002 0.000 0.266 25 L C 0.434 177.359 176.870 0.091 0.000 1.002 25 L CA -1.387 53.485 54.840 0.054 0.000 0.818 25 L CB 1.636 43.726 42.059 0.051 0.000 1.325 25 L HN 0.282 nan 8.230 nan 0.000 0.418 26 H N 1.668 120.788 119.070 0.084 0.000 2.975 26 H HA 0.162 4.719 4.556 0.002 0.000 0.303 26 H C -0.761 174.689 175.328 0.203 0.000 1.023 26 H CA 0.207 56.338 56.048 0.139 0.000 1.473 26 H CB 0.765 30.607 29.762 0.133 0.000 1.498 26 H HN 0.621 nan 8.280 nan 0.000 0.549 27 C N 6.421 125.977 119.300 0.427 0.000 2.563 27 C HA 0.525 4.986 4.460 0.002 0.000 0.314 27 C C -0.940 174.126 174.990 0.125 0.000 1.199 27 C CA -0.953 58.200 59.018 0.224 0.000 1.564 27 C CB 0.189 27.978 27.740 0.082 0.000 2.173 27 C HN 0.748 nan 8.230 nan 0.000 0.485 28 L N 6.229 127.366 121.223 -0.144 0.000 2.316 28 L HA 0.643 4.984 4.340 0.002 0.000 0.280 28 L C -0.852 175.893 176.870 -0.209 0.000 1.006 28 L CA -0.272 54.345 54.840 -0.372 0.000 0.836 28 L CB 1.267 42.705 42.059 -1.035 0.000 1.221 28 L HN 0.741 nan 8.230 nan 0.000 0.418 29 L N 6.745 127.889 121.223 -0.132 0.000 2.295 29 L HA 0.498 4.839 4.340 0.002 0.000 0.288 29 L C -0.649 176.161 176.870 -0.100 0.000 1.079 29 L CA 0.362 55.145 54.840 -0.096 0.000 0.830 29 L CB 0.257 42.276 42.059 -0.066 0.000 1.200 29 L HN 0.522 nan 8.230 nan 0.000 0.438 30 I N 4.504 125.016 120.570 -0.096 0.000 2.336 30 I HA 0.443 4.614 4.170 0.002 0.000 0.292 30 I C 0.199 176.269 176.117 -0.079 0.000 0.991 30 I CA -0.204 61.044 61.300 -0.087 0.000 1.227 30 I CB 1.637 39.588 38.000 -0.082 0.000 1.366 30 I HN 0.600 nan 8.210 nan 0.000 0.466 31 T N 2.300 116.804 114.554 -0.083 0.000 2.923 31 T HA 0.216 4.567 4.350 0.002 0.000 0.311 31 T C 0.700 175.332 174.700 -0.113 0.000 1.183 31 T CA -0.531 61.510 62.100 -0.098 0.000 1.020 31 T CB 1.634 70.449 68.868 -0.088 0.000 1.165 31 T HN 0.516 nan 8.240 nan 0.000 0.482 32 S N 2.299 117.903 115.700 -0.159 0.000 2.419 32 S HA 0.057 4.528 4.470 0.002 0.000 0.233 32 S C 0.356 174.872 174.600 -0.139 0.000 1.016 32 S CA 0.779 58.877 58.200 -0.170 0.000 0.974 32 S CB -0.158 62.880 63.200 -0.271 0.000 0.786 32 S HN 0.776 nan 8.310 nan 0.000 0.492 33 D N -0.641 119.681 120.400 -0.130 0.000 2.470 33 D HA 0.315 4.956 4.640 0.002 0.000 0.233 33 D C 0.049 176.310 176.300 -0.065 0.000 1.372 33 D CA -0.387 53.561 54.000 -0.088 0.000 0.994 33 D CB 0.672 41.422 40.800 -0.083 0.000 1.377 33 D HN -0.187 nan 8.370 nan 0.000 0.586 34 L N 1.883 123.073 121.223 -0.054 0.000 2.275 34 L HA -0.005 4.335 4.340 0.002 0.000 0.215 34 L C 2.118 178.968 176.870 -0.034 0.000 1.119 34 L CA 1.191 56.004 54.840 -0.046 0.000 0.790 34 L CB -0.354 41.678 42.059 -0.045 0.000 0.919 34 L HN 0.348 nan 8.230 nan 0.000 0.443 35 S N -0.602 115.081 115.700 -0.027 0.000 2.537 35 S HA -0.009 4.462 4.470 0.002 0.000 0.240 35 S C 1.523 176.119 174.600 -0.006 0.000 0.981 35 S CA 0.876 59.067 58.200 -0.014 0.000 0.948 35 S CB -0.198 62.996 63.200 -0.009 0.000 0.759 35 S HN 0.448 nan 8.310 nan 0.000 0.531 36 A N 0.860 123.673 122.820 -0.012 0.000 2.610 36 A HA 0.483 4.804 4.320 0.002 0.000 0.291 36 A C 0.515 178.092 177.584 -0.011 0.000 1.116 36 A CA -0.453 51.586 52.037 0.004 0.000 0.963 36 A CB -0.034 18.980 19.000 0.023 0.000 1.220 36 A HN 0.349 nan 8.150 nan 0.000 0.530 37 V N -1.553 118.344 119.914 -0.029 0.000 2.673 37 V HA 0.428 4.549 4.120 0.002 0.000 0.303 37 V C 0.955 177.009 176.094 -0.066 0.000 1.046 37 V CA 0.368 62.638 62.300 -0.050 0.000 1.126 37 V CB 0.115 31.905 31.823 -0.054 0.000 0.934 37 V HN 1.997 nan 8.190 nan 0.000 0.487 38 A N 2.720 125.452 122.820 -0.148 0.000 2.771 38 A HA -0.288 4.033 4.320 0.002 0.000 0.294 38 A C 1.049 178.506 177.584 -0.211 0.000 1.500 38 A CA 1.572 53.421 52.037 -0.314 0.000 0.829 38 A CB -1.970 16.954 19.000 -0.126 0.000 0.998 38 A HN 1.531 nan 8.150 nan 0.000 0.526 39 R N -0.412 120.027 120.500 -0.102 0.000 2.585 39 R HA 0.313 4.654 4.340 0.002 0.000 0.275 39 R C 0.553 176.828 176.300 -0.041 0.000 1.018 39 R CA 0.192 56.279 56.100 -0.022 0.000 1.072 39 R CB 0.082 30.404 30.300 0.037 0.000 0.953 39 R HN 0.526 nan 8.270 nan 0.000 0.419 40 M N 4.643 124.181 119.600 -0.103 0.000 2.664 40 M HA 0.104 4.585 4.480 0.002 0.000 0.332 40 M C 0.790 177.107 176.300 0.029 0.000 1.354 40 M CA -0.164 54.996 55.300 -0.233 0.000 1.399 40 M CB 1.345 33.670 32.600 -0.458 0.000 1.224 40 M HN 0.698 nan 8.290 nan 0.000 0.479 41 S N 0.431 116.225 115.700 0.156 0.000 2.400 41 S HA -0.117 4.354 4.470 0.002 0.000 0.232 41 S C 1.350 176.048 174.600 0.164 0.000 1.025 41 S CA 0.897 59.192 58.200 0.159 0.000 0.993 41 S CB 0.019 63.303 63.200 0.141 0.000 0.808 41 S HN 0.862 nan 8.310 nan 0.000 0.478 42 C N 0.670 120.100 119.300 0.215 0.000 2.952 42 C HA 0.347 4.808 4.460 0.002 0.000 0.094 42 C C 0.578 175.610 174.990 0.070 0.000 2.415 42 C CA -0.637 58.485 59.018 0.172 0.000 1.224 42 C CB -0.629 27.140 27.740 0.049 0.000 2.097 42 C HN 0.379 nan 8.230 nan 0.000 0.490 43 N N 2.215 120.832 118.700 -0.138 0.000 2.454 43 N HA 0.121 4.862 4.740 0.002 0.000 0.260 43 N C -2.318 172.964 175.510 -0.379 0.000 1.218 43 N CA -0.181 52.526 53.050 -0.572 0.000 0.904 43 N CB 0.934 39.196 38.487 -0.376 0.000 1.065 43 N HN 0.443 nan 8.380 nan 0.000 0.462 44 P HA 0.210 nan 4.420 nan 0.000 0.228 44 P C -1.224 175.903 177.300 -0.288 0.000 1.764 44 P CA -0.025 62.879 63.100 -0.326 0.000 0.929 44 P CB 0.013 31.553 31.700 -0.267 0.000 1.675 45 A N 0.321 122.981 122.820 -0.266 0.000 2.606 45 A HA 0.759 5.080 4.320 0.002 0.000 0.293 45 A C -1.357 176.097 177.584 -0.217 0.000 1.082 45 A CA -0.645 51.237 52.037 -0.258 0.000 0.685 45 A CB 1.280 20.125 19.000 -0.258 0.000 1.284 45 A HN 0.082 nan 8.150 nan 0.000 0.408 46 I N 1.072 121.483 120.570 -0.265 0.000 2.498 46 I HA 0.646 4.817 4.170 0.002 0.000 0.290 46 I C 0.645 176.668 176.117 -0.158 0.000 1.032 46 I CA 0.482 61.637 61.300 -0.241 0.000 1.073 46 I CB 2.075 39.863 38.000 -0.354 0.000 1.251 46 I HN 1.505 nan 8.210 nan 0.000 0.426 47 G N 3.767 112.536 108.800 -0.052 0.000 2.500 47 G HA2 0.393 4.354 3.960 0.002 0.000 0.209 47 G HA3 0.393 4.354 3.960 0.002 0.000 0.209 47 G C -0.215 174.665 174.900 -0.033 0.000 1.283 47 G CA -0.129 45.017 45.100 0.076 0.000 0.960 47 G HN 1.569 nan 8.290 nan 0.000 0.528 48 G N -3.131 105.647 108.800 -0.037 0.000 2.318 48 G HA2 0.326 4.287 3.960 0.002 0.000 0.367 48 G HA3 0.326 4.287 3.960 0.002 0.000 0.367 48 G C 0.913 175.770 174.900 -0.071 0.000 1.260 48 G CA 0.761 45.810 45.100 -0.085 0.000 1.055 48 G HN 1.928 nan 8.290 nan 0.000 0.484 49 V N 0.798 120.681 119.914 -0.053 0.000 2.223 49 V HA -0.040 4.081 4.120 0.002 0.000 0.246 49 V C 3.364 179.434 176.094 -0.040 0.000 1.045 49 V CA 4.170 66.460 62.300 -0.017 0.000 1.004 49 V CB -1.299 30.556 31.823 0.053 0.000 0.641 49 V HN 1.911 nan 8.190 nan 0.000 0.457 50 A N -1.294 121.516 122.820 -0.016 0.000 2.081 50 A HA -0.005 4.316 4.320 0.002 0.000 0.214 50 A C 2.138 179.632 177.584 -0.149 0.000 1.158 50 A CA 0.849 52.837 52.037 -0.083 0.000 0.724 50 A CB -0.270 18.770 19.000 0.066 0.000 0.826 50 A HN 0.568 nan 8.150 nan 0.000 0.463 51 K N -0.176 120.179 120.400 -0.076 0.000 2.148 51 K HA -0.043 4.278 4.320 0.002 0.000 0.204 51 K C 2.062 178.652 176.600 -0.018 0.000 1.050 51 K CA 0.994 57.251 56.287 -0.050 0.000 0.942 51 K CB -0.287 32.178 32.500 -0.057 0.000 0.724 51 K HN 0.426 nan 8.250 nan 0.000 0.446 52 G N 1.216 109.994 108.800 -0.036 0.000 2.421 52 G HA2 -0.290 3.671 3.960 0.002 0.000 0.216 52 G HA3 -0.290 3.671 3.960 0.002 0.000 0.216 52 G C 1.353 176.209 174.900 -0.073 0.000 1.171 52 G CA 0.666 45.760 45.100 -0.010 0.000 0.775 52 G HN 0.201 nan 8.290 nan 0.000 0.543 53 Q N -0.123 119.558 119.800 -0.198 0.000 2.061 53 Q HA 0.009 4.350 4.340 0.002 0.000 0.204 53 Q C 2.415 178.353 176.000 -0.103 0.000 0.984 53 Q CA 1.142 56.805 55.803 -0.235 0.000 0.846 53 Q CB -0.385 27.912 28.738 -0.735 0.000 0.902 53 Q HN 0.608 nan 8.270 nan 0.000 0.421 54 I N -0.181 120.324 120.570 -0.108 0.000 2.614 54 I HA -0.233 3.938 4.170 0.002 0.000 0.258 54 I C 1.133 177.309 176.117 0.098 0.000 1.189 54 I CA 1.080 62.404 61.300 0.040 0.000 1.462 54 I CB 0.069 38.105 38.000 0.060 0.000 1.092 54 I HN 0.216 nan 8.210 nan 0.000 0.442 55 T N 0.898 115.520 114.554 0.113 0.000 2.770 55 T HA -0.076 4.275 4.350 0.002 0.000 0.263 55 T C 1.949 176.775 174.700 0.209 0.000 1.039 55 T CA 0.980 63.188 62.100 0.178 0.000 1.142 55 T CB -0.191 68.848 68.868 0.285 0.000 0.868 55 T HN 0.371 nan 8.240 nan 0.000 0.435 56 R N 1.208 121.822 120.500 0.190 0.000 2.105 56 R HA -0.077 4.264 4.340 0.002 0.000 0.239 56 R C 2.394 178.863 176.300 0.282 0.000 1.135 56 R CA 1.280 57.485 56.100 0.175 0.000 0.967 56 R CB -0.282 30.070 30.300 0.088 0.000 0.861 56 R HN 0.578 nan 8.270 nan 0.000 0.442 57 E N 0.562 120.897 120.200 0.224 0.000 2.150 57 E HA -0.129 4.222 4.350 0.002 0.000 0.193 57 E C 2.030 178.743 176.600 0.189 0.000 0.985 57 E CA 0.799 57.328 56.400 0.215 0.000 0.814 57 E CB -0.094 29.721 29.700 0.191 0.000 0.752 57 E HN 0.319 nan 8.360 nan 0.000 0.466 58 I N 1.239 121.913 120.570 0.172 0.000 2.179 58 I HA -0.278 3.893 4.170 0.002 0.000 0.242 58 I C 2.217 178.432 176.117 0.164 0.000 1.088 58 I CA 1.388 62.779 61.300 0.152 0.000 1.357 58 I CB -0.145 37.938 38.000 0.138 0.000 1.051 58 I HN 0.060 nan 8.210 nan 0.000 0.409 59 D N 0.717 121.236 120.400 0.198 0.000 2.092 59 D HA -0.205 4.436 4.640 0.002 0.000 0.193 59 D C 2.209 178.663 176.300 0.257 0.000 0.994 59 D CA 1.599 55.733 54.000 0.223 0.000 0.828 59 D CB -0.004 40.941 40.800 0.241 0.000 0.963 59 D HN 0.308 nan 8.370 nan 0.000 0.450 60 A N -0.126 122.882 122.820 0.315 0.000 1.986 60 A HA -0.135 4.186 4.320 0.002 0.000 0.220 60 A C 2.207 179.859 177.584 0.113 0.000 1.171 60 A CA 1.092 53.247 52.037 0.197 0.000 0.640 60 A CB -0.744 18.347 19.000 0.152 0.000 0.811 60 A HN 0.394 nan 8.150 nan 0.000 0.451 61 L N -1.653 119.643 121.223 0.122 0.000 2.554 61 L HA 0.206 4.547 4.340 0.002 0.000 0.226 61 L C 1.449 178.369 176.870 0.083 0.000 1.137 61 L CA 0.567 55.462 54.840 0.092 0.000 0.863 61 L CB -0.041 42.072 42.059 0.091 0.000 0.985 61 L HN 0.597 nan 8.230 nan 0.000 0.451 62 G N -0.021 108.838 108.800 0.099 0.000 2.173 62 G HA2 -0.143 3.818 3.960 0.002 0.000 0.174 62 G HA3 -0.143 3.818 3.960 0.002 0.000 0.174 62 G C 0.253 175.201 174.900 0.080 0.000 1.025 62 G CA -0.317 44.834 45.100 0.085 0.000 0.706 62 G HN 0.461 nan 8.290 nan 0.000 0.499 63 G N -1.224 107.634 108.800 0.097 0.000 2.511 63 G HA2 0.611 4.572 3.960 0.002 0.000 0.316 63 G HA3 0.611 4.572 3.960 0.002 0.000 0.316 63 G C 0.555 175.514 174.900 0.099 0.000 1.210 63 G CA -0.049 45.107 45.100 0.093 0.000 0.969 63 G HN 0.041 nan 8.290 nan 0.000 0.492 64 E N 0.003 120.261 120.200 0.097 0.000 2.190 64 E HA -0.036 4.314 4.350 0.002 0.000 0.191 64 E C 2.348 178.999 176.600 0.086 0.000 0.978 64 E CA 0.138 56.602 56.400 0.106 0.000 0.839 64 E CB -0.111 29.657 29.700 0.114 0.000 0.787 64 E HN 0.584 nan 8.360 nan 0.000 0.473 65 M N 0.255 119.914 119.600 0.098 0.000 2.143 65 M HA -0.162 4.319 4.480 0.002 0.000 0.258 65 M C 1.884 178.192 176.300 0.014 0.000 1.071 65 M CA 2.149 57.508 55.300 0.098 0.000 1.088 65 M CB -0.266 32.416 32.600 0.136 0.000 1.360 65 M HN 0.102 nan 8.290 nan 0.000 0.404 66 G N 0.353 109.180 108.800 0.044 0.000 2.453 66 G HA2 -0.219 3.742 3.960 0.002 0.000 0.215 66 G HA3 -0.219 3.742 3.960 0.002 0.000 0.215 66 G C 1.449 176.346 174.900 -0.005 0.000 1.201 66 G CA 1.071 46.201 45.100 0.051 0.000 0.784 66 G HN 0.486 nan 8.290 nan 0.000 0.545 67 K N 0.728 121.130 120.400 0.004 0.000 2.063 67 K HA 0.010 4.331 4.320 0.002 0.000 0.208 67 K C 2.893 179.320 176.600 -0.289 0.000 1.048 67 K CA 1.088 57.348 56.287 -0.046 0.000 0.928 67 K CB -0.265 32.273 32.500 0.062 0.000 0.713 67 K HN 0.271 nan 8.250 nan 0.000 0.442 68 A N 1.177 123.751 122.820 -0.410 0.000 1.908 68 A HA -0.175 4.146 4.320 0.002 0.000 0.218 68 A C 2.145 179.401 177.584 -0.547 0.000 1.181 68 A CA 1.441 52.943 52.037 -0.893 0.000 0.627 68 A CB -0.419 18.147 19.000 -0.724 0.000 0.818 68 A HN 0.304 nan 8.150 nan 0.000 0.445 69 I N -0.502 119.913 120.570 -0.259 0.000 2.617 69 I HA -0.082 4.089 4.170 0.002 0.000 0.256 69 I C 1.157 177.261 176.117 -0.023 0.000 1.167 69 I CA 1.306 62.488 61.300 -0.196 0.000 1.469 69 I CB -0.170 37.549 38.000 -0.468 0.000 1.098 69 I HN 0.170 nan 8.210 nan 0.000 0.436 70 D N 0.705 121.117 120.400 0.021 0.000 2.183 70 D HA -0.006 4.635 4.640 0.002 0.000 0.203 70 D C 2.191 178.513 176.300 0.035 0.000 0.969 70 D CA 1.295 55.385 54.000 0.150 0.000 0.842 70 D CB -0.019 40.809 40.800 0.046 0.000 0.957 70 D HN 0.450 nan 8.370 nan 0.000 0.484 71 A N -0.520 122.217 122.820 -0.139 0.000 2.067 71 A HA 0.002 4.323 4.320 0.002 0.000 0.217 71 A C 1.833 179.352 177.584 -0.108 0.000 1.156 71 A CA 1.156 53.088 52.037 -0.174 0.000 0.683 71 A CB 0.145 18.873 19.000 -0.453 0.000 0.808 71 A HN 0.156 nan 8.150 nan 0.000 0.455 72 T N -0.676 113.816 114.554 -0.105 0.000 3.111 72 T HA 0.308 4.659 4.350 0.002 0.000 0.284 72 T C 0.878 175.576 174.700 -0.003 0.000 0.983 72 T CA 0.201 62.273 62.100 -0.046 0.000 0.900 72 T CB 0.429 69.253 68.868 -0.074 0.000 1.132 72 T HN 0.466 nan 8.240 nan 0.000 0.531 73 G N 0.612 109.443 108.800 0.052 0.000 2.554 73 G HA2 0.433 4.394 3.960 0.002 0.000 0.238 73 G HA3 0.433 4.394 3.960 0.002 0.000 0.238 73 G C 0.498 175.419 174.900 0.034 0.000 1.259 73 G CA -0.145 44.931 45.100 -0.040 0.000 0.843 73 G HN 0.386 nan 8.290 nan 0.000 0.582 74 I N -0.522 120.003 120.570 -0.075 0.000 3.812 74 I HA 0.161 4.332 4.170 0.002 0.000 0.292 74 I C 0.820 176.943 176.117 0.011 0.000 1.206 74 I CA 0.296 61.590 61.300 -0.010 0.000 1.370 74 I CB 0.535 38.514 38.000 -0.036 0.000 1.328 74 I HN 0.646 nan 8.210 nan 0.000 0.453 75 Q N 0.423 120.182 119.800 -0.068 0.000 2.289 75 Q HA 0.422 4.763 4.340 0.002 0.000 0.270 75 Q C -1.744 174.203 176.000 -0.087 0.000 1.038 75 Q CA -0.547 55.254 55.803 -0.003 0.000 0.812 75 Q CB 1.782 30.504 28.738 -0.027 0.000 1.300 75 Q HN -0.076 nan 8.270 nan 0.000 0.427 76 F N 1.696 121.640 119.950 -0.010 0.000 2.421 76 F HA 0.624 5.150 4.527 -0.002 0.000 0.337 76 F C 0.149 175.938 175.800 -0.019 0.000 1.105 76 F CA -0.488 57.516 58.000 0.005 0.000 1.049 76 F CB 1.955 40.964 39.000 0.014 0.000 1.139 76 F HN 0.586 nan 8.300 nan 0.000 0.479 77 R N 3.617 124.177 120.500 0.100 0.000 2.510 77 R HA 0.442 4.783 4.340 0.002 0.000 0.287 77 R C -1.382 174.916 176.300 -0.003 0.000 1.084 77 R CA -0.898 55.220 56.100 0.031 0.000 0.934 77 R CB 1.417 31.704 30.300 -0.021 0.000 1.201 77 R HN 0.695 nan 8.270 nan 0.000 0.431 78 M N 5.243 124.840 119.600 -0.005 0.000 2.162 78 M HA 0.341 4.822 4.480 0.002 0.000 0.356 78 M C -1.370 174.921 176.300 -0.015 0.000 1.303 78 M CA 0.041 55.325 55.300 -0.027 0.000 1.116 78 M CB 0.702 33.306 32.600 0.006 0.000 1.632 78 M HN 0.513 nan 8.290 nan 0.000 0.469 79 L N 5.415 126.614 121.223 -0.041 0.000 2.357 79 L HA 0.436 4.777 4.340 0.002 0.000 0.273 79 L C 0.161 176.996 176.870 -0.059 0.000 1.080 79 L CA -0.868 53.940 54.840 -0.053 0.000 0.803 79 L CB 0.772 42.785 42.059 -0.076 0.000 1.174 79 L HN 0.856 nan 8.230 nan 0.000 0.443 80 N N 1.531 120.184 118.700 -0.079 0.000 2.699 80 N HA -0.183 4.558 4.740 0.002 0.000 0.257 80 N C 0.634 175.997 175.510 -0.245 0.000 1.077 80 N CA 0.553 53.521 53.050 -0.138 0.000 0.702 80 N CB -0.738 37.658 38.487 -0.151 0.000 0.886 80 N HN 0.615 nan 8.380 nan 0.000 0.549 81 R N 0.141 120.573 120.500 -0.113 0.000 2.075 81 R HA 0.130 4.470 4.340 0.002 0.000 0.226 81 R C 1.707 177.977 176.300 -0.051 0.000 1.114 81 R CA 1.504 57.588 56.100 -0.028 0.000 0.972 81 R CB 0.063 30.397 30.300 0.056 0.000 0.869 81 R HN 0.296 nan 8.270 nan 0.000 0.437 82 S N 0.554 116.220 115.700 -0.056 0.000 2.453 82 S HA 0.001 4.472 4.470 0.002 0.000 0.231 82 S C 0.440 175.006 174.600 -0.055 0.000 1.005 82 S CA 0.752 58.936 58.200 -0.025 0.000 0.949 82 S CB 0.069 63.260 63.200 -0.015 0.000 0.774 82 S HN 0.164 nan 8.310 nan 0.000 0.510 83 K N 1.331 121.644 120.400 -0.145 0.000 2.273 83 K HA 0.409 4.730 4.320 0.002 0.000 0.240 83 K C 0.863 177.351 176.600 -0.187 0.000 1.056 83 K CA -0.254 55.946 56.287 -0.146 0.000 0.910 83 K CB -0.400 32.007 32.500 -0.156 0.000 1.196 83 K HN 0.184 nan 8.250 nan 0.000 0.509 84 G N 0.317 109.054 108.800 -0.104 0.000 2.580 84 G HA2 0.213 4.174 3.960 0.002 0.000 0.278 84 G HA3 0.213 4.174 3.960 0.002 0.000 0.278 84 G C -1.755 173.159 174.900 0.023 0.000 1.212 84 G CA -1.244 43.849 45.100 -0.012 0.000 0.939 84 G HN 0.184 nan 8.290 nan 0.000 0.513 85 P HA -0.215 nan 4.420 nan 0.000 0.218 85 P C 1.873 179.188 177.300 0.024 0.000 1.150 85 P CA 2.272 65.427 63.100 0.092 0.000 0.841 85 P CB 0.199 31.753 31.700 -0.244 0.000 0.784 86 A N -2.118 120.659 122.820 -0.073 0.000 2.067 86 A HA -0.058 4.263 4.320 0.002 0.000 0.217 86 A C 1.974 179.578 177.584 0.033 0.000 1.156 86 A CA 1.247 53.275 52.037 -0.015 0.000 0.683 86 A CB -0.857 18.113 19.000 -0.049 0.000 0.808 86 A HN 0.061 nan 8.150 nan 0.000 0.455 87 M N -0.868 118.722 119.600 -0.016 0.000 2.516 87 M HA 0.122 4.603 4.480 0.002 0.000 0.259 87 M C -0.090 176.174 176.300 -0.059 0.000 1.146 87 M CA 0.250 55.521 55.300 -0.049 0.000 1.122 87 M CB -1.054 31.477 32.600 -0.116 0.000 1.341 87 M HN 0.414 nan 8.290 nan 0.000 0.478 88 H N 0.998 120.082 119.070 0.024 0.000 3.145 88 H HA 0.079 4.636 4.556 0.002 0.000 0.288 88 H C -0.213 175.141 175.328 0.045 0.000 0.969 88 H CA 0.610 56.688 56.048 0.049 0.000 1.444 88 H CB 0.222 30.053 29.762 0.115 0.000 1.500 88 H HN 0.023 nan 8.280 nan 0.000 0.552 89 S N 6.573 122.297 115.700 0.041 0.000 2.707 89 S HA 0.229 4.700 4.470 0.002 0.000 0.312 89 S C -2.635 171.866 174.600 -0.166 0.000 1.116 89 S CA -1.427 56.731 58.200 -0.070 0.000 1.078 89 S CB 1.625 64.787 63.200 -0.063 0.000 0.997 89 S HN 0.476 nan 8.310 nan 0.000 0.477 90 P HA 0.355 nan 4.420 nan 0.000 0.276 90 P C -0.665 176.519 177.300 -0.194 0.000 1.230 90 P CA -0.461 62.359 63.100 -0.468 0.000 0.776 90 P CB 0.671 31.753 31.700 -1.031 0.000 0.888 91 R N 2.065 122.559 120.500 -0.011 0.000 2.566 91 R HA 0.707 5.048 4.340 0.002 0.000 0.271 91 R C -2.044 174.270 176.300 0.023 0.000 1.071 91 R CA -0.621 55.548 56.100 0.115 0.000 0.915 91 R CB 1.537 31.809 30.300 -0.047 0.000 1.228 91 R HN 0.523 nan 8.270 nan 0.000 0.449 92 A N 3.214 125.959 122.820 -0.125 0.000 2.475 92 A HA 0.497 4.817 4.320 0.002 0.000 0.301 92 A C -1.277 176.059 177.584 -0.414 0.000 1.059 92 A CA -0.840 50.907 52.037 -0.482 0.000 0.710 92 A CB 2.065 20.354 19.000 -1.185 0.000 1.288 92 A HN 0.597 nan 8.150 nan 0.000 0.408 93 Q N 0.534 120.116 119.800 -0.363 0.000 2.314 93 Q HA 0.522 4.863 4.340 0.002 0.000 0.258 93 Q C 0.106 175.942 176.000 -0.273 0.000 0.954 93 Q CA 0.157 55.800 55.803 -0.267 0.000 0.890 93 Q CB 1.562 30.195 28.738 -0.175 0.000 1.210 93 Q HN 0.854 nan 8.270 nan 0.000 0.410 94 A N 2.169 124.851 122.820 -0.230 0.000 2.320 94 A HA 0.254 4.575 4.320 0.002 0.000 0.334 94 A C -0.343 177.183 177.584 -0.096 0.000 1.147 94 A CA -0.652 51.283 52.037 -0.170 0.000 0.820 94 A CB 0.792 19.662 19.000 -0.217 0.000 1.218 94 A HN 0.686 nan 8.150 nan 0.000 0.482 95 D N 1.553 121.934 120.400 -0.031 0.000 2.374 95 D HA 0.101 4.742 4.640 0.002 0.000 0.240 95 D C 0.768 177.080 176.300 0.021 0.000 1.229 95 D CA -0.093 53.907 54.000 -0.001 0.000 0.895 95 D CB 0.581 41.393 40.800 0.020 0.000 1.046 95 D HN 0.490 nan 8.370 nan 0.000 0.498 96 K N 1.413 121.805 120.400 -0.013 0.000 2.034 96 K HA -0.194 4.127 4.320 0.002 0.000 0.214 96 K C 1.879 178.507 176.600 0.047 0.000 1.051 96 K CA 1.662 57.935 56.287 -0.023 0.000 0.931 96 K CB -0.425 32.056 32.500 -0.032 0.000 0.715 96 K HN 0.435 nan 8.250 nan 0.000 0.446 97 T N -0.134 114.446 114.554 0.044 0.000 2.867 97 T HA -0.154 4.196 4.350 0.002 0.000 0.268 97 T C 1.979 176.719 174.700 0.067 0.000 1.057 97 T CA 1.299 63.430 62.100 0.052 0.000 1.136 97 T CB 0.082 68.974 68.868 0.039 0.000 0.874 97 T HN 0.058 nan 8.240 nan 0.000 0.466 98 Q N -0.770 119.072 119.800 0.070 0.000 2.245 98 Q HA 0.118 4.459 4.340 0.002 0.000 0.201 98 Q C 1.697 177.752 176.000 0.092 0.000 0.955 98 Q CA 1.072 56.917 55.803 0.070 0.000 0.870 98 Q CB -0.546 28.223 28.738 0.053 0.000 0.945 98 Q HN 0.828 nan 8.270 nan 0.000 0.461 99 Y N -0.375 119.913 120.300 -0.019 0.000 2.114 99 Y HA -0.230 4.322 4.550 0.003 0.000 0.284 99 Y C 2.537 178.449 175.900 0.021 0.000 1.143 99 Y CA 1.910 59.990 58.100 -0.034 0.000 1.135 99 Y CB -0.485 37.913 38.460 -0.103 0.000 0.980 99 Y HN 0.194 nan 8.280 nan 0.000 0.499 100 S N -0.194 115.650 115.700 0.240 0.000 2.368 100 S HA -0.182 4.289 4.470 0.002 0.000 0.225 100 S C 1.932 176.554 174.600 0.036 0.000 1.030 100 S CA 1.543 59.822 58.200 0.133 0.000 0.999 100 S CB -0.620 62.637 63.200 0.095 0.000 0.844 100 S HN 0.403 nan 8.310 nan 0.000 0.459 101 L N 0.574 121.822 121.223 0.043 0.000 2.046 101 L HA 0.047 4.388 4.340 0.002 0.000 0.208 101 L C 2.213 179.085 176.870 0.004 0.000 1.077 101 L CA 1.932 56.785 54.840 0.021 0.000 0.747 101 L CB -1.411 40.668 42.059 0.032 0.000 0.896 101 L HN 0.552 nan 8.230 nan 0.000 0.432 102 Y N -1.133 119.097 120.300 -0.117 0.000 2.128 102 Y HA -0.322 4.224 4.550 -0.007 0.000 0.284 102 Y C 2.532 178.333 175.900 -0.165 0.000 1.154 102 Y CA 1.748 59.758 58.100 -0.151 0.000 1.149 102 Y CB -0.039 38.284 38.460 -0.229 0.000 0.976 102 Y HN 0.074 nan 8.280 nan 0.000 0.505 103 M N 0.256 119.839 119.600 -0.029 0.000 2.213 103 M HA -0.196 4.285 4.480 0.002 0.000 0.263 103 M C 2.327 178.561 176.300 -0.110 0.000 1.062 103 M CA 1.668 56.920 55.300 -0.079 0.000 1.105 103 M CB -1.158 31.385 32.600 -0.095 0.000 1.385 103 M HN 0.364 nan 8.290 nan 0.000 0.417 104 R N -0.128 120.318 120.500 -0.091 0.000 2.066 104 R HA -0.119 4.222 4.340 0.002 0.000 0.232 104 R C 2.348 178.592 176.300 -0.093 0.000 1.131 104 R CA 1.387 57.440 56.100 -0.079 0.000 0.955 104 R CB -0.132 30.134 30.300 -0.057 0.000 0.851 104 R HN 0.205 nan 8.270 nan 0.000 0.432 105 R N 0.219 120.653 120.500 -0.110 0.000 2.103 105 R HA -0.147 4.194 4.340 0.002 0.000 0.242 105 R C 2.138 178.436 176.300 -0.004 0.000 1.142 105 R CA 1.864 57.933 56.100 -0.052 0.000 0.960 105 R CB -0.177 30.043 30.300 -0.134 0.000 0.858 105 R HN 0.254 nan 8.270 nan 0.000 0.439 106 I N -0.116 120.337 120.570 -0.195 0.000 2.202 106 I HA -0.187 3.984 4.170 0.002 0.000 0.242 106 I C 2.343 178.425 176.117 -0.058 0.000 1.091 106 I CA 1.056 62.260 61.300 -0.160 0.000 1.368 106 I CB -1.119 36.732 38.000 -0.249 0.000 1.058 106 I HN 0.031 nan 8.210 nan 0.000 0.410 107 V N 1.107 120.978 119.914 -0.072 0.000 2.392 107 V HA -0.243 3.878 4.120 0.002 0.000 0.249 107 V C 2.338 178.392 176.094 -0.065 0.000 1.059 107 V CA 1.663 63.930 62.300 -0.056 0.000 1.051 107 V CB -0.667 31.122 31.823 -0.057 0.000 0.658 107 V HN 0.449 nan 8.190 nan 0.000 0.455 108 E N -1.136 119.005 120.200 -0.098 0.000 2.427 108 E HA -0.123 4.228 4.350 0.002 0.000 0.196 108 E C 1.501 177.934 176.600 -0.278 0.000 1.028 108 E CA 0.608 56.898 56.400 -0.183 0.000 0.864 108 E CB -0.031 29.528 29.700 -0.235 0.000 0.813 108 E HN 0.750 nan 8.360 nan 0.000 0.514 109 H N -0.356 118.668 119.070 -0.078 0.000 2.549 109 H HA 0.156 4.715 4.556 0.005 0.000 0.279 109 H C -0.222 175.071 175.328 -0.059 0.000 1.018 109 H CA -0.007 56.000 56.048 -0.069 0.000 1.175 109 H CB 0.470 30.181 29.762 -0.085 0.000 1.485 109 H HN -0.107 nan 8.280 nan 0.000 0.543 110 E N 1.094 121.301 120.200 0.011 0.000 2.081 110 E HA 0.150 4.501 4.350 0.002 0.000 0.276 110 E C -1.774 174.808 176.600 -0.030 0.000 0.950 110 E CA -2.406 53.990 56.400 -0.007 0.000 0.776 110 E CB 1.102 30.793 29.700 -0.014 0.000 1.094 110 E HN 0.069 nan 8.360 nan 0.000 0.402 111 P HA -0.125 nan 4.420 nan 0.000 0.218 111 P C 0.430 177.676 177.300 -0.089 0.000 1.148 111 P CA 0.897 63.965 63.100 -0.053 0.000 0.822 111 P CB 0.348 32.018 31.700 -0.050 0.000 0.784 112 N N -0.557 118.085 118.700 -0.096 0.000 2.396 112 N HA -0.011 4.730 4.740 0.002 0.000 0.180 112 N C 0.635 176.100 175.510 -0.074 0.000 1.028 112 N CA 0.540 53.496 53.050 -0.157 0.000 0.893 112 N CB -0.283 38.139 38.487 -0.109 0.000 0.967 112 N HN 0.250 nan 8.380 nan 0.000 0.440 113 I N 2.073 122.634 120.570 -0.015 0.000 2.363 113 I HA 0.058 4.229 4.170 0.002 0.000 0.292 113 I C -0.357 175.796 176.117 0.059 0.000 1.075 113 I CA -0.413 60.905 61.300 0.031 0.000 1.333 113 I CB 0.417 38.413 38.000 -0.006 0.000 1.415 113 I HN -0.248 nan 8.210 nan 0.000 0.502 114 D N 6.988 127.477 120.400 0.149 0.000 2.253 114 D HA 0.577 5.218 4.640 0.002 0.000 0.249 114 D C -0.215 176.097 176.300 0.020 0.000 1.049 114 D CA -0.176 53.905 54.000 0.135 0.000 0.929 114 D CB 1.532 42.513 40.800 0.301 0.000 1.176 114 D HN 0.284 nan 8.370 nan 0.000 0.437 115 L N 1.205 122.428 121.223 0.000 0.000 2.342 115 L HA 0.634 4.974 4.340 0.002 0.000 0.271 115 L C -0.789 176.057 176.870 -0.041 0.000 1.008 115 L CA -1.027 53.791 54.840 -0.037 0.000 0.818 115 L CB 1.634 43.670 42.059 -0.038 0.000 1.296 115 L HN 0.141 nan 8.230 nan 0.000 0.427 116 L N 2.409 123.596 121.223 -0.061 0.000 2.464 116 L HA 0.362 4.703 4.340 0.002 0.000 0.266 116 L C -0.825 176.011 176.870 -0.057 0.000 0.965 116 L CA -0.232 54.576 54.840 -0.053 0.000 0.833 116 L CB 2.275 44.297 42.059 -0.062 0.000 1.296 116 L HN 0.633 nan 8.230 nan 0.000 0.405 117 Q N 3.999 123.770 119.800 -0.049 0.000 2.456 117 Q HA 0.388 4.729 4.340 0.002 0.000 0.234 117 Q C -1.448 174.521 176.000 -0.052 0.000 1.061 117 Q CA -0.105 55.665 55.803 -0.054 0.000 0.896 117 Q CB 0.639 29.348 28.738 -0.049 0.000 1.233 117 Q HN 0.649 nan 8.270 nan 0.000 0.506 118 D N 1.192 121.557 120.400 -0.060 0.000 2.665 118 D HA 0.396 5.037 4.640 0.002 0.000 0.287 118 D C -1.357 174.903 176.300 -0.067 0.000 1.266 118 D CA -0.297 53.671 54.000 -0.054 0.000 0.830 118 D CB 2.248 43.024 40.800 -0.041 0.000 1.356 118 D HN 0.376 nan 8.370 nan 0.000 0.437 119 T N 0.337 114.855 114.554 -0.060 0.000 2.823 119 T HA 0.470 4.821 4.350 0.002 0.000 0.279 119 T C -0.265 174.409 174.700 -0.043 0.000 0.998 119 T CA -0.535 61.525 62.100 -0.067 0.000 0.994 119 T CB 1.491 70.316 68.868 -0.073 0.000 0.960 119 T HN 0.118 nan 8.240 nan 0.000 0.448 120 V N 4.751 124.641 119.914 -0.040 0.000 2.408 120 V HA 0.220 4.341 4.120 0.002 0.000 0.267 120 V C 1.118 177.204 176.094 -0.013 0.000 1.047 120 V CA -0.208 62.081 62.300 -0.020 0.000 0.937 120 V CB 0.263 32.077 31.823 -0.015 0.000 0.999 120 V HN 0.891 nan 8.190 nan 0.000 0.472 121 I N 1.931 122.499 120.570 -0.004 0.000 3.976 121 I HA 0.733 4.904 4.170 0.002 0.000 0.337 121 I C 0.740 176.863 176.117 0.009 0.000 1.359 121 I CA -0.007 61.293 61.300 -0.000 0.000 1.098 121 I CB 0.377 38.377 38.000 0.000 0.000 1.027 121 I HN 0.594 nan 8.210 nan 0.000 0.394 122 G N 0.439 109.249 108.800 0.016 0.000 2.473 122 G HA2 0.439 4.400 3.960 0.002 0.000 0.298 122 G HA3 0.439 4.400 3.960 0.002 0.000 0.298 122 G C -2.029 172.902 174.900 0.052 0.000 1.575 122 G CA -0.488 44.630 45.100 0.029 0.000 0.846 122 G HN -0.055 nan 8.290 nan 0.000 0.585 123 V N 0.873 120.831 119.914 0.073 0.000 2.487 123 V HA 0.818 4.939 4.120 0.002 0.000 0.298 123 V C -0.010 176.146 176.094 0.104 0.000 1.028 123 V CA -0.430 61.950 62.300 0.133 0.000 0.860 123 V CB 1.614 33.556 31.823 0.198 0.000 0.991 123 V HN 0.944 nan 8.190 nan 0.000 0.427 124 S N 4.697 120.427 115.700 0.051 0.000 2.578 124 S HA 0.915 5.386 4.470 0.002 0.000 0.283 124 S C -0.262 174.311 174.600 -0.045 0.000 1.195 124 S CA 0.121 58.319 58.200 -0.003 0.000 1.050 124 S CB 1.371 64.546 63.200 -0.043 0.000 1.012 124 S HN 1.502 nan 8.310 nan 0.000 0.511 125 A N 3.662 126.473 122.820 -0.014 0.000 2.517 125 A HA 0.653 4.974 4.320 0.002 0.000 0.297 125 A C -1.372 176.205 177.584 -0.011 0.000 1.050 125 A CA -0.915 51.115 52.037 -0.012 0.000 0.694 125 A CB 0.995 20.044 19.000 0.081 0.000 1.277 125 A HN 0.747 nan 8.150 nan 0.000 0.400 126 N N 0.949 119.633 118.700 -0.027 0.000 2.444 126 N HA 0.507 5.248 4.740 0.002 0.000 0.262 126 N C -0.087 175.423 175.510 -0.001 0.000 0.974 126 N CA 0.187 53.227 53.050 -0.016 0.000 0.933 126 N CB 1.389 39.857 38.487 -0.031 0.000 1.137 126 N HN 0.618 nan 8.380 nan 0.000 0.498 127 S N 1.762 117.465 115.700 0.004 0.000 3.559 127 S HA -0.165 4.306 4.470 0.002 0.000 0.369 127 S C 1.203 175.810 174.600 0.011 0.000 0.987 127 S CA 0.972 59.175 58.200 0.006 0.000 1.187 127 S CB -1.621 61.581 63.200 0.003 0.000 0.914 127 S HN 1.156 nan 8.310 nan 0.000 0.480 128 G N -0.196 108.614 108.800 0.018 0.000 2.143 128 G HA2 -0.311 3.650 3.960 0.002 0.000 0.249 128 G HA3 -0.311 3.650 3.960 0.002 0.000 0.249 128 G C -0.222 174.700 174.900 0.036 0.000 0.981 128 G CA 0.770 45.882 45.100 0.020 0.000 0.665 128 G HN 0.782 nan 8.290 nan 0.000 0.528 129 K N -0.381 120.048 120.400 0.049 0.000 2.371 129 K HA 0.592 4.913 4.320 0.002 0.000 0.251 129 K C -0.149 176.520 176.600 0.115 0.000 0.934 129 K CA -1.264 55.073 56.287 0.083 0.000 0.798 129 K CB 1.345 33.882 32.500 0.062 0.000 1.204 129 K HN 0.102 nan 8.250 nan 0.000 0.427 130 F N 2.875 122.847 119.950 0.036 0.000 2.602 130 F HA -0.099 4.429 4.527 0.002 0.000 0.367 130 F C 0.939 176.764 175.800 0.042 0.000 1.126 130 F CA 1.342 59.371 58.000 0.049 0.000 1.321 130 F CB 0.821 39.862 39.000 0.069 0.000 1.094 130 F HN 0.687 nan 8.300 nan 0.000 0.594 131 S N 1.854 116.961 115.700 -0.988 0.000 3.313 131 S HA 0.326 4.797 4.470 0.002 0.000 0.247 131 S C 0.204 174.168 174.600 -1.060 0.000 1.058 131 S CA 0.361 58.091 58.200 -0.782 0.000 0.794 131 S CB -0.178 62.816 63.200 -0.344 0.000 0.842 131 S HN 0.880 nan 8.310 nan 0.000 0.526 132 S N -0.392 114.756 115.700 -0.919 0.000 2.776 132 S HA 0.825 5.296 4.470 0.002 0.000 0.292 132 S C -1.595 172.946 174.600 -0.098 0.000 1.187 132 S CA -0.654 57.295 58.200 -0.417 0.000 0.834 132 S CB 1.622 64.710 63.200 -0.186 0.000 1.199 132 S HN 0.606 nan 8.310 nan 0.000 0.514 133 V N 1.126 121.072 119.914 0.055 0.000 2.733 133 V HA 0.570 4.691 4.120 0.002 0.000 0.306 133 V C -0.797 175.328 176.094 0.053 0.000 1.084 133 V CA -0.417 61.955 62.300 0.119 0.000 0.905 133 V CB 2.199 34.135 31.823 0.189 0.000 1.010 133 V HN 1.057 nan 8.190 nan 0.000 0.424 134 T N 4.778 119.356 114.554 0.040 0.000 2.744 134 T HA 0.510 4.861 4.350 0.002 0.000 0.291 134 T C 0.010 174.718 174.700 0.013 0.000 0.957 134 T CA -0.266 61.846 62.100 0.020 0.000 1.002 134 T CB 1.208 70.086 68.868 0.016 0.000 0.919 134 T HN 0.678 nan 8.240 nan 0.000 0.468 135 V N 2.515 122.432 119.914 0.006 0.000 3.134 135 V HA 0.505 4.626 4.120 0.002 0.000 0.313 135 V C 1.827 177.918 176.094 -0.005 0.000 1.069 135 V CA -0.965 61.332 62.300 -0.004 0.000 1.048 135 V CB 0.862 32.680 31.823 -0.009 0.000 1.119 135 V HN 0.819 nan 8.190 nan 0.000 0.461 136 R N 0.828 121.321 120.500 -0.012 0.000 2.103 136 R HA -0.166 4.175 4.340 0.002 0.000 0.242 136 R C 2.346 178.642 176.300 -0.006 0.000 1.142 136 R CA 2.251 58.344 56.100 -0.010 0.000 0.960 136 R CB -0.535 29.755 30.300 -0.016 0.000 0.858 136 R HN 1.065 nan 8.270 nan 0.000 0.439 137 S N -1.303 114.394 115.700 -0.006 0.000 2.442 137 S HA -0.031 4.440 4.470 0.002 0.000 0.236 137 S C 1.421 176.021 174.600 -0.001 0.000 1.007 137 S CA 1.121 59.319 58.200 -0.004 0.000 0.965 137 S CB -0.045 63.153 63.200 -0.004 0.000 0.773 137 S HN 0.662 nan 8.310 nan 0.000 0.504 138 G N 0.626 109.426 108.800 0.000 0.000 2.159 138 G HA2 -0.227 3.734 3.960 0.002 0.000 0.227 138 G HA3 -0.227 3.734 3.960 0.002 0.000 0.227 138 G C 0.125 175.026 174.900 0.003 0.000 0.986 138 G CA -0.050 45.052 45.100 0.003 0.000 0.651 138 G HN 0.587 nan 8.290 nan 0.000 0.523 139 R N 0.464 120.965 120.500 0.003 0.000 2.694 139 R HA 0.538 4.879 4.340 0.002 0.000 0.268 139 R C 0.591 176.894 176.300 0.006 0.000 1.061 139 R CA 0.647 56.750 56.100 0.005 0.000 1.133 139 R CB 0.611 30.915 30.300 0.007 0.000 1.020 139 R HN 0.559 nan 8.270 nan 0.000 0.475 140 A N 3.907 126.730 122.820 0.004 0.000 2.304 140 A HA 0.495 4.816 4.320 0.002 0.000 0.323 140 A C -0.369 177.222 177.584 0.012 0.000 1.195 140 A CA -0.619 51.419 52.037 0.002 0.000 0.826 140 A CB 0.612 19.604 19.000 -0.014 0.000 1.184 140 A HN 0.648 nan 8.150 nan 0.000 0.496 141 I N 2.034 122.619 120.570 0.024 0.000 2.382 141 I HA 0.239 4.410 4.170 0.002 0.000 0.286 141 I C 0.178 176.332 176.117 0.061 0.000 1.002 141 I CA -0.126 61.205 61.300 0.051 0.000 1.135 141 I CB 1.787 39.816 38.000 0.048 0.000 1.288 141 I HN 0.737 nan 8.210 nan 0.000 0.448 142 Q N 4.753 124.590 119.800 0.061 0.000 2.261 142 Q HA 0.761 5.102 4.340 0.002 0.000 0.252 142 Q C -0.860 175.207 176.000 0.112 0.000 0.915 142 Q CA -0.425 55.391 55.803 0.021 0.000 0.915 142 Q CB 1.746 30.476 28.738 -0.012 0.000 1.204 142 Q HN 0.800 nan 8.270 nan 0.000 0.421 143 A N 2.761 125.660 122.820 0.132 0.000 2.606 143 A HA 0.339 4.660 4.320 0.002 0.000 0.293 143 A C -0.433 177.361 177.584 0.350 0.000 1.082 143 A CA -0.710 51.503 52.037 0.293 0.000 0.685 143 A CB 1.358 20.611 19.000 0.421 0.000 1.284 143 A HN 0.826 nan 8.150 nan 0.000 0.408 144 K N 0.025 120.590 120.400 0.275 0.000 2.228 144 K HA 0.343 4.664 4.320 0.002 0.000 0.202 144 K C 0.540 177.358 176.600 0.364 0.000 1.051 144 K CA 1.446 57.880 56.287 0.245 0.000 0.960 144 K CB 0.196 32.774 32.500 0.129 0.000 0.743 144 K HN 0.911 nan 8.250 nan 0.000 0.458 145 A N 0.598 123.592 122.820 0.290 0.000 2.577 145 A HA 0.669 4.990 4.320 0.002 0.000 0.297 145 A C -1.803 175.634 177.584 -0.246 0.000 1.060 145 A CA -0.688 51.386 52.037 0.063 0.000 0.697 145 A CB 1.710 20.782 19.000 0.120 0.000 1.281 145 A HN 0.077 nan 8.150 nan 0.000 0.402 146 A N 2.411 124.878 122.820 -0.590 0.000 2.359 146 A HA 0.723 5.044 4.320 0.002 0.000 0.303 146 A C -0.659 176.825 177.584 -0.168 0.000 1.066 146 A CA -0.447 51.284 52.037 -0.509 0.000 0.730 146 A CB 0.635 19.068 19.000 -0.944 0.000 1.211 146 A HN 0.814 nan 8.150 nan 0.000 0.439 147 I N 2.756 123.275 120.570 -0.086 0.000 2.331 147 I HA 0.301 4.472 4.170 0.002 0.000 0.292 147 I C -0.912 175.212 176.117 0.013 0.000 0.998 147 I CA -0.485 60.831 61.300 0.027 0.000 1.267 147 I CB 1.035 39.022 38.000 -0.022 0.000 1.386 147 I HN 0.413 nan 8.210 nan 0.000 0.476 148 L N 6.019 127.278 121.223 0.060 0.000 2.272 148 L HA 0.531 4.872 4.340 0.002 0.000 0.289 148 L C 0.383 177.224 176.870 -0.050 0.000 1.032 148 L CA 0.105 54.910 54.840 -0.058 0.000 0.810 148 L CB 1.461 43.373 42.059 -0.244 0.000 1.205 148 L HN 0.775 nan 8.230 nan 0.000 0.422 149 A N 2.918 125.723 122.820 -0.025 0.000 3.216 149 A HA 0.359 4.680 4.320 0.002 0.000 0.321 149 A C 0.462 178.071 177.584 0.041 0.000 1.042 149 A CA -0.369 51.680 52.037 0.020 0.000 0.838 149 A CB -0.055 18.971 19.000 0.042 0.000 1.136 149 A HN 0.799 nan 8.150 nan 0.000 0.483 150 C N 0.161 119.482 119.300 0.036 0.000 2.791 150 C HA 0.472 4.933 4.460 0.002 0.000 0.270 150 C C 2.051 177.142 174.990 0.167 0.000 1.257 150 C CA 0.497 59.578 59.018 0.105 0.000 1.699 150 C CB -1.428 26.356 27.740 0.073 0.000 1.904 150 C HN 1.281 nan 8.230 nan 0.000 0.603 151 G N 2.118 110.962 108.800 0.073 0.000 2.634 151 G HA2 -0.385 3.576 3.960 0.002 0.000 0.309 151 G HA3 -0.385 3.576 3.960 0.002 0.000 0.309 151 G C 0.858 175.620 174.900 -0.229 0.000 1.265 151 G CA 1.237 46.307 45.100 -0.050 0.000 0.998 151 G HN 0.755 nan 8.290 nan 0.000 0.551 152 T N -2.250 112.006 114.554 -0.498 0.000 3.235 152 T HA 0.507 4.858 4.350 0.002 0.000 0.251 152 T C 1.559 176.046 174.700 -0.355 0.000 1.060 152 T CA 1.068 62.765 62.100 -0.671 0.000 0.949 152 T CB -0.099 68.294 68.868 -0.791 0.000 1.020 152 T HN 0.369 nan 8.240 nan 0.000 0.564 153 F N 0.705 120.639 119.950 -0.027 0.000 2.512 153 F HA 0.393 4.920 4.527 0.001 0.000 0.296 153 F C 0.782 176.600 175.800 0.030 0.000 1.110 153 F CA -0.660 57.346 58.000 0.011 0.000 1.446 153 F CB -0.166 38.832 39.000 -0.003 0.000 1.092 153 F HN 0.182 nan 8.300 nan 0.000 0.554 154 L N 2.102 123.438 121.223 0.189 0.000 2.515 154 L HA 0.065 4.406 4.340 0.002 0.000 0.281 154 L C 0.428 177.349 176.870 0.084 0.000 1.131 154 L CA -0.156 54.745 54.840 0.102 0.000 0.905 154 L CB -1.448 40.630 42.059 0.031 0.000 1.246 154 L HN 0.209 nan 8.230 nan 0.000 0.463 155 N N 2.184 120.932 118.700 0.079 0.000 2.705 155 N HA -0.168 4.573 4.740 0.002 0.000 0.255 155 N C 0.583 176.161 175.510 0.113 0.000 1.008 155 N CA 0.976 54.072 53.050 0.077 0.000 0.742 155 N CB -0.427 38.085 38.487 0.042 0.000 0.906 155 N HN 0.821 nan 8.380 nan 0.000 0.541 156 G N -0.160 108.723 108.800 0.138 0.000 2.527 156 G HA2 0.458 4.419 3.960 0.002 0.000 0.248 156 G HA3 0.458 4.419 3.960 0.002 0.000 0.248 156 G C -0.079 174.892 174.900 0.117 0.000 1.231 156 G CA -0.240 44.946 45.100 0.143 0.000 0.838 156 G HN 0.269 nan 8.290 nan 0.000 0.570 157 L N 1.668 122.963 121.223 0.120 0.000 2.470 157 L HA 0.435 4.776 4.340 0.002 0.000 0.268 157 L C -0.760 176.125 176.870 0.024 0.000 0.964 157 L CA -0.707 54.160 54.840 0.045 0.000 0.839 157 L CB 2.008 44.078 42.059 0.018 0.000 1.276 157 L HN 0.329 nan 8.230 nan 0.000 0.403 158 I N 3.956 124.489 120.570 -0.062 0.000 2.365 158 I HA 0.292 4.463 4.170 0.002 0.000 0.291 158 I C -0.230 175.771 176.117 -0.194 0.000 1.004 158 I CA -0.350 60.917 61.300 -0.056 0.000 1.311 158 I CB 0.962 38.900 38.000 -0.104 0.000 1.401 158 I HN 0.516 nan 8.210 nan 0.000 0.491 159 H N 7.301 126.409 119.070 0.063 0.000 2.685 159 H HA 0.471 5.028 4.556 0.001 0.000 0.307 159 H C -0.517 174.861 175.328 0.083 0.000 1.017 159 H CA -0.381 55.685 56.048 0.030 0.000 1.237 159 H CB 1.894 31.685 29.762 0.048 0.000 1.409 159 H HN 0.419 nan 8.280 nan 0.000 0.488 160 I N 2.900 123.529 120.570 0.099 0.000 2.371 160 I HA 0.237 4.408 4.170 0.002 0.000 0.282 160 I C 1.196 177.373 176.117 0.100 0.000 1.031 160 I CA -0.199 61.190 61.300 0.148 0.000 1.180 160 I CB 1.222 39.339 38.000 0.195 0.000 1.336 160 I HN 0.846 nan 8.210 nan 0.000 0.467 161 G N 5.582 114.453 108.800 0.118 0.000 2.620 161 G HA2 -0.396 3.565 3.960 0.002 0.000 0.315 161 G HA3 -0.396 3.565 3.960 0.002 0.000 0.315 161 G C 0.543 175.502 174.900 0.098 0.000 1.179 161 G CA 0.902 46.058 45.100 0.094 0.000 0.971 161 G HN 0.482 nan 8.290 nan 0.000 0.544 162 M N 2.301 121.945 119.600 0.073 0.000 2.516 162 M HA 0.301 4.782 4.480 0.002 0.000 0.259 162 M C 0.454 176.802 176.300 0.081 0.000 1.146 162 M CA 1.385 56.735 55.300 0.083 0.000 1.122 162 M CB -0.074 32.563 32.600 0.062 0.000 1.341 162 M HN 0.623 nan 8.290 nan 0.000 0.478 163 D N 0.181 120.566 120.400 -0.025 0.000 2.229 163 D HA 0.372 5.013 4.640 0.002 0.000 0.249 163 D C -0.420 175.591 176.300 -0.481 0.000 1.027 163 D CA -0.456 53.412 54.000 -0.219 0.000 0.923 163 D CB 0.377 41.041 40.800 -0.227 0.000 1.174 163 D HN 0.322 nan 8.370 nan 0.000 0.443 164 H N -1.057 117.566 119.070 -0.745 0.000 2.865 164 H HA 0.497 5.054 4.556 0.001 0.000 0.362 164 H C -1.603 173.252 175.328 -0.789 0.000 1.114 164 H CA -1.045 54.471 56.048 -0.887 0.000 1.208 164 H CB 0.246 29.599 29.762 -0.682 0.000 1.727 164 H HN 0.394 nan 8.280 nan 0.000 0.534 165 F N 0.937 120.827 119.950 -0.101 0.000 2.538 165 F HA 0.493 5.021 4.527 0.002 0.000 0.325 165 F C -2.336 173.432 175.800 -0.054 0.000 1.066 165 F CA -2.632 55.311 58.000 -0.095 0.000 0.946 165 F CB 1.486 40.428 39.000 -0.097 0.000 1.199 165 F HN 0.258 nan 8.300 nan 0.000 0.473 166 P HA 0.374 nan 4.420 nan 0.000 0.269 166 P C -0.450 176.910 177.300 0.101 0.000 1.215 166 P CA -0.107 63.056 63.100 0.104 0.000 0.780 166 P CB 0.738 32.489 31.700 0.085 0.000 0.898 167 G N 0.090 108.947 108.800 0.095 0.000 2.238 167 G HA2 0.363 4.324 3.960 0.002 0.000 0.276 167 G HA3 0.363 4.324 3.960 0.002 0.000 0.276 167 G C 0.394 175.366 174.900 0.120 0.000 1.744 167 G CA -0.128 45.029 45.100 0.095 0.000 0.912 167 G HN 0.575 nan 8.290 nan 0.000 0.744 168 G N 0.294 109.228 108.800 0.223 0.000 2.441 168 G HA2 0.156 4.117 3.960 0.002 0.000 0.212 168 G HA3 0.156 4.117 3.960 0.002 0.000 0.212 168 G C 1.330 176.045 174.900 -0.307 0.000 1.164 168 G CA 1.366 46.586 45.100 0.199 0.000 0.811 168 G HN 0.733 nan 8.290 nan 0.000 0.535 169 R N -1.076 119.345 120.500 -0.132 0.000 2.196 169 R HA 0.304 4.645 4.340 0.002 0.000 0.186 169 R C 0.553 176.907 176.300 0.090 0.000 1.163 169 R CA 0.479 56.471 56.100 -0.181 0.000 1.146 169 R CB 0.048 30.300 30.300 -0.080 0.000 1.113 169 R HN 0.265 nan 8.270 nan 0.000 0.513 170 S N -1.064 114.706 115.700 0.117 0.000 2.726 170 S HA 0.141 4.612 4.470 0.002 0.000 0.308 170 S C 0.885 175.464 174.600 -0.036 0.000 1.115 170 S CA -0.089 58.135 58.200 0.039 0.000 0.965 170 S CB 1.618 64.895 63.200 0.127 0.000 1.145 170 S HN 0.318 nan 8.310 nan 0.000 0.532 171 T N 1.315 115.783 114.554 -0.143 0.000 2.802 171 T HA -0.170 4.181 4.350 0.002 0.000 0.269 171 T C 1.565 176.250 174.700 -0.025 0.000 1.062 171 T CA 2.143 64.195 62.100 -0.080 0.000 1.133 171 T CB -0.729 68.057 68.868 -0.137 0.000 0.852 171 T HN 0.690 nan 8.240 nan 0.000 0.485 172 A N -0.105 122.717 122.820 0.002 0.000 2.209 172 A HA 0.217 4.538 4.320 0.002 0.000 0.212 172 A C 0.832 178.447 177.584 0.052 0.000 1.158 172 A CA 0.462 52.513 52.037 0.023 0.000 0.742 172 A CB -0.124 18.898 19.000 0.038 0.000 0.790 172 A HN 0.655 nan 8.150 nan 0.000 0.472 173 E N -0.027 120.230 120.200 0.096 0.000 2.187 173 E HA 0.459 4.810 4.350 0.002 0.000 0.268 173 E C -2.880 173.795 176.600 0.126 0.000 0.896 173 E CA -2.259 54.225 56.400 0.139 0.000 0.766 173 E CB 1.524 31.428 29.700 0.340 0.000 1.142 173 E HN 0.052 nan 8.360 nan 0.000 0.408 174 P HA 0.150 nan 4.420 nan 0.000 0.276 174 P C -2.489 174.872 177.300 0.103 0.000 1.230 174 P CA -1.296 61.838 63.100 0.057 0.000 0.776 174 P CB 0.105 31.809 31.700 0.005 0.000 0.888 175 P HA 0.087 nan 4.420 nan 0.000 0.277 175 P C -0.724 176.631 177.300 0.093 0.000 1.240 175 P CA -0.108 63.096 63.100 0.174 0.000 0.798 175 P CB 0.582 32.368 31.700 0.144 0.000 0.979 176 V N 2.444 122.419 119.914 0.101 0.000 2.546 176 V HA 0.133 4.254 4.120 0.002 0.000 0.284 176 V C 1.382 177.499 176.094 0.038 0.000 1.050 176 V CA 0.338 62.663 62.300 0.041 0.000 0.981 176 V CB 0.676 32.518 31.823 0.032 0.000 0.990 176 V HN 0.626 nan 8.190 nan 0.000 0.474 177 E N 2.939 123.150 120.200 0.018 0.000 2.367 177 E HA 0.124 4.475 4.350 0.002 0.000 0.204 177 E C 2.037 178.638 176.600 0.001 0.000 0.840 177 E CA 0.670 57.079 56.400 0.014 0.000 1.051 177 E CB 0.442 30.155 29.700 0.021 0.000 1.051 177 E HN 0.881 nan 8.360 nan 0.000 0.509 178 G N 1.960 110.761 108.800 0.001 0.000 2.421 178 G HA2 -0.244 3.717 3.960 0.002 0.000 0.216 178 G HA3 -0.244 3.717 3.960 0.002 0.000 0.216 178 G C 1.557 176.454 174.900 -0.005 0.000 1.171 178 G CA 0.547 45.648 45.100 0.001 0.000 0.775 178 G HN 0.100 nan 8.290 nan 0.000 0.543 179 L N 0.565 121.783 121.223 -0.008 0.000 2.042 179 L HA -0.020 4.321 4.340 0.002 0.000 0.210 179 L C 2.902 179.763 176.870 -0.015 0.000 1.076 179 L CA 2.465 57.300 54.840 -0.008 0.000 0.749 179 L CB -0.804 41.250 42.059 -0.010 0.000 0.893 179 L HN 0.215 nan 8.230 nan 0.000 0.432 180 T N -1.177 113.344 114.554 -0.056 0.000 2.788 180 T HA -0.164 4.187 4.350 0.002 0.000 0.268 180 T C 1.670 176.254 174.700 -0.194 0.000 1.044 180 T CA 1.586 63.591 62.100 -0.158 0.000 1.139 180 T CB -0.040 68.593 68.868 -0.391 0.000 0.867 180 T HN 0.367 nan 8.240 nan 0.000 0.454 181 E N 0.602 120.740 120.200 -0.105 0.000 2.107 181 E HA -0.006 4.345 4.350 0.002 0.000 0.191 181 E C 2.336 178.965 176.600 0.048 0.000 0.982 181 E CA 0.816 57.210 56.400 -0.010 0.000 0.809 181 E CB -0.396 29.316 29.700 0.020 0.000 0.756 181 E HN 0.342 nan 8.360 nan 0.000 0.459 182 S N -0.409 115.312 115.700 0.035 0.000 2.383 182 S HA -0.100 4.371 4.470 0.002 0.000 0.227 182 S C 1.718 176.371 174.600 0.088 0.000 1.026 182 S CA 0.711 58.946 58.200 0.057 0.000 0.981 182 S CB -0.063 63.160 63.200 0.039 0.000 0.818 182 S HN 0.112 nan 8.310 nan 0.000 0.472 183 L N 1.418 122.684 121.223 0.073 0.000 2.095 183 L HA 0.255 4.596 4.340 0.002 0.000 0.204 183 L C 2.787 179.842 176.870 0.309 0.000 1.080 183 L CA 1.440 56.336 54.840 0.093 0.000 0.759 183 L CB -0.973 40.972 42.059 -0.189 0.000 0.914 183 L HN 0.369 nan 8.230 nan 0.000 0.439 184 A N -1.362 121.637 122.820 0.299 0.000 1.940 184 A HA -0.271 4.050 4.320 0.002 0.000 0.219 184 A C 2.564 180.315 177.584 0.279 0.000 1.176 184 A CA 1.971 54.243 52.037 0.391 0.000 0.631 184 A CB -0.977 18.284 19.000 0.434 0.000 0.814 184 A HN 0.430 nan 8.150 nan 0.000 0.446 185 S N -0.634 115.187 115.700 0.202 0.000 2.400 185 S HA -0.067 4.404 4.470 0.002 0.000 0.232 185 S C 1.503 176.191 174.600 0.147 0.000 1.025 185 S CA 1.320 59.609 58.200 0.149 0.000 0.993 185 S CB -0.417 62.850 63.200 0.112 0.000 0.808 185 S HN 0.484 nan 8.310 nan 0.000 0.478 186 L N 0.881 122.225 121.223 0.201 0.000 2.627 186 L HA 0.292 4.633 4.340 0.002 0.000 0.232 186 L C 1.261 178.206 176.870 0.125 0.000 1.150 186 L CA 0.307 55.260 54.840 0.188 0.000 0.917 186 L CB -0.268 41.948 42.059 0.261 0.000 1.104 186 L HN 0.586 nan 8.230 nan 0.000 0.445 187 G N -0.101 108.776 108.800 0.129 0.000 2.255 187 G HA2 -0.277 3.684 3.960 0.002 0.000 0.239 187 G HA3 -0.277 3.684 3.960 0.002 0.000 0.239 187 G C -0.329 174.523 174.900 -0.080 0.000 1.083 187 G CA -0.578 44.531 45.100 0.015 0.000 0.826 187 G HN 0.161 nan 8.290 nan 0.000 0.493 188 F N 1.726 121.781 119.950 0.175 0.000 2.467 188 F HA 0.613 5.141 4.527 0.002 0.000 0.336 188 F C 1.000 177.031 175.800 0.385 0.000 1.123 188 F CA -0.196 57.951 58.000 0.245 0.000 0.964 188 F CB 2.014 41.139 39.000 0.208 0.000 1.136 188 F HN 0.301 nan 8.300 nan 0.000 0.447 189 S N 3.862 119.871 115.700 0.515 0.000 2.584 189 S HA 0.780 5.251 4.470 0.002 0.000 0.273 189 S C -0.834 174.091 174.600 0.542 0.000 1.311 189 S CA -0.478 57.985 58.200 0.438 0.000 1.034 189 S CB 0.889 64.271 63.200 0.303 0.000 0.939 189 S HN 0.534 nan 8.310 nan 0.000 0.513 190 F N -1.441 118.567 119.950 0.095 0.000 2.619 190 F HA 0.892 5.420 4.527 0.002 0.000 0.308 190 F C -0.006 175.488 175.800 -0.511 0.000 1.097 190 F CA -0.888 56.833 58.000 -0.466 0.000 0.953 190 F CB 0.990 39.640 39.000 -0.584 0.000 1.287 190 F HN 0.868 nan 8.300 nan 0.000 0.446 191 G N 1.310 109.478 108.800 -1.054 0.000 3.119 191 G HA2 0.790 4.751 3.960 0.002 0.000 0.206 191 G HA3 0.790 4.751 3.960 0.002 0.000 0.206 191 G C -1.516 173.202 174.900 -0.303 0.000 1.313 191 G CA -1.390 43.337 45.100 -0.623 0.000 1.010 191 G HN 0.727 nan 8.290 nan 0.000 0.578 192 R N -0.810 119.710 120.500 0.033 0.000 2.574 192 R HA 0.532 4.873 4.340 0.002 0.000 0.288 192 R C -1.306 175.004 176.300 0.017 0.000 1.004 192 R CA -0.546 55.578 56.100 0.041 0.000 0.895 192 R CB 2.234 32.527 30.300 -0.011 0.000 1.191 192 R HN 0.288 nan 8.270 nan 0.000 0.444 193 L N 2.113 123.146 121.223 -0.316 0.000 2.319 193 L HA 0.590 4.931 4.340 0.002 0.000 0.267 193 L C -0.570 176.058 176.870 -0.403 0.000 1.011 193 L CA -0.969 53.586 54.840 -0.476 0.000 0.818 193 L CB 2.166 43.770 42.059 -0.759 0.000 1.316 193 L HN 0.391 nan 8.230 nan 0.000 0.432 194 K N 0.711 121.012 120.400 -0.165 0.000 2.345 194 K HA 0.660 4.981 4.320 0.002 0.000 0.255 194 K C -1.006 175.635 176.600 0.069 0.000 0.934 194 K CA -0.668 55.615 56.287 -0.008 0.000 0.801 194 K CB 2.202 34.667 32.500 -0.059 0.000 1.137 194 K HN 0.643 nan 8.250 nan 0.000 0.424 195 T N -1.580 113.073 114.554 0.165 0.000 2.909 195 T HA 0.681 5.032 4.350 0.002 0.000 0.299 195 T C -0.025 174.712 174.700 0.062 0.000 1.073 195 T CA -1.023 61.137 62.100 0.100 0.000 0.999 195 T CB 1.824 70.760 68.868 0.113 0.000 1.098 195 T HN 0.561 nan 8.240 nan 0.000 0.477 196 G N -0.013 108.788 108.800 0.002 0.000 2.417 196 G HA2 0.622 4.583 3.960 0.002 0.000 0.334 196 G HA3 0.622 4.583 3.960 0.002 0.000 0.334 196 G C -0.928 173.903 174.900 -0.115 0.000 1.150 196 G CA -0.732 44.340 45.100 -0.047 0.000 0.923 196 G HN 0.914 nan 8.290 nan 0.000 0.485 197 T N 1.421 115.833 114.554 -0.237 0.000 2.876 197 T HA 0.721 5.072 4.350 0.002 0.000 0.289 197 T C -2.683 171.872 174.700 -0.243 0.000 1.014 197 T CA -1.796 60.157 62.100 -0.246 0.000 0.986 197 T CB 2.349 71.011 68.868 -0.344 0.000 1.021 197 T HN 0.349 nan 8.240 nan 0.000 0.458 198 P HA 0.411 nan 4.420 nan 0.000 0.276 198 P C -2.792 174.393 177.300 -0.191 0.000 1.252 198 P CA -1.831 61.158 63.100 -0.186 0.000 0.802 198 P CB -0.098 31.418 31.700 -0.307 0.000 1.035 199 P HA 0.156 nan 4.420 nan 0.000 0.274 199 P C -0.444 176.800 177.300 -0.093 0.000 1.237 199 P CA 0.037 63.112 63.100 -0.043 0.000 0.793 199 P CB 0.577 32.275 31.700 -0.004 0.000 0.977 200 R N 2.043 122.527 120.500 -0.028 0.000 2.532 200 R HA 0.680 5.021 4.340 0.002 0.000 0.295 200 R C 0.293 176.585 176.300 -0.013 0.000 0.968 200 R CA -0.920 55.177 56.100 -0.006 0.000 0.916 200 R CB 0.913 31.245 30.300 0.053 0.000 1.124 200 R HN 0.596 nan 8.270 nan 0.000 0.463 201 I N -2.411 118.149 120.570 -0.016 0.000 2.892 201 I HA 0.406 4.577 4.170 0.002 0.000 0.306 201 I C -0.353 175.760 176.117 -0.007 0.000 1.078 201 I CA -1.113 60.169 61.300 -0.031 0.000 1.032 201 I CB 2.368 40.323 38.000 -0.075 0.000 1.229 201 I HN 0.296 nan 8.210 nan 0.000 0.435 202 D N 2.975 123.368 120.400 -0.012 0.000 2.343 202 D HA 0.138 4.779 4.640 0.002 0.000 0.255 202 D C 0.881 177.183 176.300 0.004 0.000 1.187 202 D CA 0.028 54.030 54.000 0.003 0.000 0.875 202 D CB 1.722 42.522 40.800 -0.001 0.000 1.136 202 D HN 0.692 nan 8.370 nan 0.000 0.469 203 S N 4.631 120.352 115.700 0.035 0.000 2.374 203 S HA -0.227 4.244 4.470 0.002 0.000 0.227 203 S C 1.747 176.409 174.600 0.103 0.000 1.037 203 S CA 1.017 59.262 58.200 0.074 0.000 1.024 203 S CB -0.138 63.127 63.200 0.108 0.000 0.861 203 S HN 0.618 nan 8.310 nan 0.000 0.456 204 R N 1.779 122.324 120.500 0.076 0.000 2.241 204 R HA -0.005 4.336 4.340 0.002 0.000 0.224 204 R C 2.205 178.532 176.300 0.044 0.000 1.101 204 R CA 1.269 57.417 56.100 0.080 0.000 0.995 204 R CB -0.498 29.826 30.300 0.040 0.000 0.870 204 R HN 0.595 nan 8.270 nan 0.000 0.463 205 S N -0.473 115.224 115.700 -0.005 0.000 2.631 205 S HA 0.112 4.583 4.470 0.002 0.000 0.217 205 S C 0.619 175.152 174.600 -0.111 0.000 0.958 205 S CA -0.472 57.700 58.200 -0.046 0.000 0.920 205 S CB 0.245 63.416 63.200 -0.050 0.000 0.776 205 S HN -0.095 nan 8.310 nan 0.000 0.517 206 V N 2.332 122.140 119.914 -0.177 0.000 2.539 206 V HA 0.345 4.466 4.120 0.002 0.000 0.292 206 V C -0.150 175.664 176.094 -0.467 0.000 1.045 206 V CA -0.803 61.252 62.300 -0.408 0.000 0.945 206 V CB 1.588 32.986 31.823 -0.709 0.000 0.993 206 V HN 0.311 nan 8.190 nan 0.000 0.464 207 D N 2.973 123.134 120.400 -0.398 0.000 2.468 207 D HA 0.148 4.789 4.640 0.002 0.000 0.218 207 D C 0.304 176.430 176.300 -0.291 0.000 1.155 207 D CA -0.158 53.694 54.000 -0.247 0.000 0.924 207 D CB 0.223 40.934 40.800 -0.148 0.000 1.029 207 D HN 0.517 nan 8.370 nan 0.000 0.515 208 Y N 1.467 121.711 120.300 -0.092 0.000 2.542 208 Y HA -0.026 4.525 4.550 0.003 0.000 0.326 208 Y C 2.108 177.995 175.900 -0.020 0.000 1.218 208 Y CA 0.309 58.361 58.100 -0.081 0.000 1.277 208 Y CB 0.108 38.506 38.460 -0.104 0.000 1.064 208 Y HN 0.263 nan 8.280 nan 0.000 0.499 209 T N -1.054 113.535 114.554 0.059 0.000 3.031 209 T HA 0.078 4.429 4.350 0.002 0.000 0.254 209 T C 1.692 176.408 174.700 0.027 0.000 1.060 209 T CA 0.862 62.990 62.100 0.047 0.000 1.135 209 T CB 0.107 68.989 68.868 0.023 0.000 0.896 209 T HN 0.297 nan 8.240 nan 0.000 0.472 210 I N 0.361 120.926 120.570 -0.008 0.000 2.729 210 I HA 0.133 4.303 4.170 0.002 0.000 0.256 210 I C 0.541 176.656 176.117 -0.003 0.000 1.115 210 I CA 0.084 61.374 61.300 -0.016 0.000 1.446 210 I CB -0.100 37.873 38.000 -0.046 0.000 1.176 210 I HN -0.089 nan 8.210 nan 0.000 0.446 211 V N 3.095 122.995 119.914 -0.024 0.000 2.599 211 V HA -0.022 4.099 4.120 0.002 0.000 0.300 211 V C 0.573 176.746 176.094 0.133 0.000 1.034 211 V CA 0.160 62.474 62.300 0.022 0.000 1.115 211 V CB 0.346 32.140 31.823 -0.048 0.000 0.934 211 V HN 0.469 nan 8.190 nan 0.000 0.485 212 T N 2.266 116.895 114.554 0.125 0.000 2.780 212 T HA 0.398 4.749 4.350 0.002 0.000 0.294 212 T C -0.216 174.579 174.700 0.159 0.000 0.949 212 T CA -0.709 61.469 62.100 0.131 0.000 1.074 212 T CB 1.055 69.966 68.868 0.071 0.000 0.910 212 T HN 0.810 nan 8.240 nan 0.000 0.501 213 E N 2.499 122.784 120.200 0.142 0.000 2.338 213 E HA 0.093 4.444 4.350 0.002 0.000 0.272 213 E C -0.393 176.151 176.600 -0.093 0.000 1.029 213 E CA -0.563 55.812 56.400 -0.041 0.000 0.872 213 E CB 0.643 30.361 29.700 0.031 0.000 1.015 213 E HN 0.724 nan 8.360 nan 0.000 0.417 214 Q N 5.670 125.351 119.800 -0.198 0.000 2.558 214 Q HA 0.325 4.666 4.340 0.002 0.000 0.252 214 Q C -2.513 173.419 176.000 -0.113 0.000 1.015 214 Q CA -2.305 53.441 55.803 -0.094 0.000 0.720 214 Q CB 1.571 30.297 28.738 -0.021 0.000 1.215 214 Q HN 0.425 nan 8.270 nan 0.000 0.500 215 P HA 0.144 nan 4.420 nan 0.000 0.274 215 P C 0.017 177.303 177.300 -0.024 0.000 1.237 215 P CA -0.075 62.993 63.100 -0.054 0.000 0.793 215 P CB 0.685 32.368 31.700 -0.028 0.000 0.977 216 G N 0.976 109.773 108.800 -0.005 0.000 2.544 216 G HA2 0.279 4.240 3.960 0.002 0.000 0.242 216 G HA3 0.279 4.240 3.960 0.002 0.000 0.242 216 G C -0.652 174.266 174.900 0.031 0.000 1.247 216 G CA -0.440 44.676 45.100 0.028 0.000 0.840 216 G HN 0.541 nan 8.290 nan 0.000 0.578 217 D N 0.057 120.480 120.400 0.039 0.000 2.345 217 D HA 0.216 4.857 4.640 0.002 0.000 0.247 217 D C 0.448 176.760 176.300 0.020 0.000 1.108 217 D CA -0.677 53.338 54.000 0.025 0.000 0.894 217 D CB 1.163 41.977 40.800 0.023 0.000 1.203 217 D HN 0.185 nan 8.370 nan 0.000 0.430 218 V N 2.368 122.288 119.914 0.010 0.000 2.509 218 V HA 0.006 4.127 4.120 0.002 0.000 0.297 218 V C 0.423 176.514 176.094 -0.006 0.000 1.014 218 V CA 0.673 62.974 62.300 0.002 0.000 1.127 218 V CB -0.544 31.280 31.823 0.002 0.000 0.925 218 V HN 0.911 nan 8.190 nan 0.000 0.480 219 D N 3.357 123.746 120.400 -0.019 0.000 3.061 219 D HA -0.098 4.543 4.640 0.002 0.000 0.252 219 D C -2.365 173.908 176.300 -0.046 0.000 1.080 219 D CA -0.072 53.906 54.000 -0.035 0.000 0.871 219 D CB -0.149 40.635 40.800 -0.026 0.000 1.018 219 D HN 0.497 nan 8.370 nan 0.000 0.425 220 P HA 0.379 nan 4.420 nan 0.000 0.276 220 P C -0.593 176.625 177.300 -0.137 0.000 1.261 220 P CA -0.749 62.310 63.100 -0.070 0.000 0.800 220 P CB 0.810 32.464 31.700 -0.076 0.000 1.066 221 V N 1.847 121.685 119.914 -0.128 0.000 2.384 221 V HA 0.333 4.454 4.120 0.002 0.000 0.287 221 V C -2.243 173.718 176.094 -0.222 0.000 1.020 221 V CA -1.802 60.389 62.300 -0.181 0.000 0.850 221 V CB 1.060 32.757 31.823 -0.209 0.000 0.987 221 V HN 0.536 nan 8.190 nan 0.000 0.436 222 P HA 0.269 nan 4.420 nan 0.000 0.271 222 P C 0.235 177.446 177.300 -0.147 0.000 1.216 222 P CA -0.156 62.850 63.100 -0.157 0.000 0.771 222 P CB 0.543 32.149 31.700 -0.156 0.000 0.864 223 F N 0.008 119.895 119.950 -0.106 0.000 2.128 223 F HA -0.065 4.463 4.527 0.001 0.000 0.295 223 F C 1.726 177.354 175.800 -0.287 0.000 1.100 223 F CA 1.331 59.235 58.000 -0.161 0.000 1.260 223 F CB -0.490 38.483 39.000 -0.045 0.000 1.009 223 F HN 0.203 nan 8.300 nan 0.000 0.476 224 S N -0.468 115.246 115.700 0.022 0.000 2.548 224 S HA 0.122 4.593 4.470 0.002 0.000 0.277 224 S C 0.745 175.273 174.600 -0.121 0.000 1.315 224 S CA -0.562 57.620 58.200 -0.030 0.000 1.050 224 S CB 0.150 63.384 63.200 0.056 0.000 0.918 224 S HN 0.129 nan 8.310 nan 0.000 0.497 225 F N 2.562 122.554 119.950 0.070 0.000 2.604 225 F HA 0.024 4.553 4.527 0.002 0.000 0.298 225 F C 2.441 178.262 175.800 0.036 0.000 1.131 225 F CA 0.421 58.450 58.000 0.047 0.000 1.457 225 F CB -0.132 38.897 39.000 0.048 0.000 1.095 225 F HN 0.500 nan 8.300 nan 0.000 0.574 226 S N -1.453 114.357 115.700 0.184 0.000 2.458 226 S HA 0.003 4.474 4.470 0.002 0.000 0.223 226 S C 1.079 175.719 174.600 0.065 0.000 1.019 226 S CA 0.037 58.307 58.200 0.116 0.000 0.937 226 S CB -0.191 63.072 63.200 0.105 0.000 0.788 226 S HN 0.088 nan 8.310 nan 0.000 0.511 227 S N 1.177 116.901 115.700 0.040 0.000 2.584 227 S HA 0.204 4.675 4.470 0.002 0.000 0.270 227 S C 1.289 175.883 174.600 -0.009 0.000 1.346 227 S CA -0.049 58.153 58.200 0.003 0.000 1.018 227 S CB 1.199 64.385 63.200 -0.024 0.000 0.899 227 S HN 0.446 nan 8.310 nan 0.000 0.542 228 T N -0.130 114.408 114.554 -0.026 0.000 3.026 228 T HA 0.233 4.584 4.350 0.002 0.000 0.245 228 T C 0.366 175.032 174.700 -0.057 0.000 1.004 228 T CA 0.579 62.663 62.100 -0.028 0.000 1.069 228 T CB -0.094 68.765 68.868 -0.014 0.000 1.005 228 T HN 0.700 nan 8.240 nan 0.000 0.472 229 S N 0.175 115.828 115.700 -0.080 0.000 2.588 229 S HA 0.592 5.063 4.470 0.002 0.000 0.275 229 S C -0.207 174.287 174.600 -0.176 0.000 1.130 229 S CA -0.116 58.015 58.200 -0.115 0.000 0.855 229 S CB 1.702 64.852 63.200 -0.083 0.000 1.116 229 S HN 0.637 nan 8.310 nan 0.000 0.472 230 V N -1.531 118.225 119.914 -0.264 0.000 3.261 230 V HA 0.669 4.790 4.120 0.002 0.000 0.330 230 V C 1.465 177.381 176.094 -0.298 0.000 1.461 230 V CA 0.327 62.385 62.300 -0.402 0.000 1.127 230 V CB -0.265 30.989 31.823 -0.949 0.000 1.044 230 V HN 1.113 nan 8.190 nan 0.000 0.499 231 A N 3.000 125.715 122.820 -0.175 0.000 1.883 231 A HA -0.224 4.097 4.320 0.002 0.000 0.217 231 A C 1.951 179.499 177.584 -0.059 0.000 1.186 231 A CA 2.616 54.590 52.037 -0.104 0.000 0.624 231 A CB -0.867 18.089 19.000 -0.073 0.000 0.822 231 A HN 0.912 nan 8.150 nan 0.000 0.444 232 N N -0.862 117.809 118.700 -0.049 0.000 2.512 232 N HA -0.104 4.637 4.740 0.002 0.000 0.183 232 N C 1.008 176.524 175.510 0.010 0.000 1.073 232 N CA 0.691 53.731 53.050 -0.016 0.000 0.911 232 N CB -0.280 38.198 38.487 -0.015 0.000 0.964 232 N HN 0.261 nan 8.380 nan 0.000 0.447 233 R N 0.316 120.823 120.500 0.012 0.000 2.346 233 R HA 0.140 4.481 4.340 0.002 0.000 0.225 233 R C -0.372 176.036 176.300 0.180 0.000 0.987 233 R CA -0.050 56.115 56.100 0.108 0.000 1.106 233 R CB -0.954 29.457 30.300 0.185 0.000 1.090 233 R HN 0.276 nan 8.270 nan 0.000 0.502 234 N N 1.224 119.989 118.700 0.108 0.000 3.083 234 N HA 0.136 4.877 4.740 0.002 0.000 0.260 234 N C 0.702 176.249 175.510 0.060 0.000 1.163 234 N CA 0.014 53.126 53.050 0.103 0.000 1.060 234 N CB 0.632 39.162 38.487 0.072 0.000 1.345 234 N HN 0.148 nan 8.380 nan 0.000 0.515 235 L N -0.017 121.242 121.223 0.060 0.000 2.425 235 L HA 0.265 4.606 4.340 0.002 0.000 0.215 235 L C 0.337 177.226 176.870 0.032 0.000 1.065 235 L CA 0.504 55.369 54.840 0.040 0.000 0.842 235 L CB 0.340 42.424 42.059 0.041 0.000 1.033 235 L HN 0.030 nan 8.230 nan 0.000 0.474 236 V N -1.098 118.834 119.914 0.030 0.000 3.001 236 V HA 0.525 4.646 4.120 0.002 0.000 0.314 236 V C -0.314 175.780 176.094 0.001 0.000 1.099 236 V CA -0.798 61.521 62.300 0.032 0.000 0.989 236 V CB 1.925 33.779 31.823 0.051 0.000 1.040 236 V HN 0.198 nan 8.190 nan 0.000 0.434 237 S N 0.372 116.053 115.700 -0.031 0.000 2.621 237 S HA 0.700 5.171 4.470 0.002 0.000 0.302 237 S C -0.386 174.052 174.600 -0.269 0.000 1.093 237 S CA -0.666 57.444 58.200 -0.149 0.000 1.017 237 S CB 1.578 64.655 63.200 -0.205 0.000 1.077 237 S HN 0.730 nan 8.310 nan 0.000 0.517 238 C N 0.610 119.739 119.300 -0.286 0.000 2.345 238 C HA 0.686 5.147 4.460 0.002 0.000 0.369 238 C C -0.896 173.801 174.990 -0.488 0.000 1.273 238 C CA -0.520 58.386 59.018 -0.187 0.000 2.310 238 C CB -0.324 27.420 27.740 0.008 0.000 2.219 238 C HN 0.865 nan 8.230 nan 0.000 0.587 239 Y N 0.567 120.959 120.300 0.152 0.000 2.331 239 Y HA 0.526 5.076 4.550 0.000 0.000 0.326 239 Y C -0.142 175.807 175.900 0.081 0.000 1.020 239 Y CA -0.482 57.688 58.100 0.118 0.000 1.136 239 Y CB 0.658 39.184 38.460 0.111 0.000 1.157 239 Y HN 0.349 nan 8.280 nan 0.000 0.444 240 L N 4.104 125.418 121.223 0.151 0.000 2.312 240 L HA 0.780 5.121 4.340 0.002 0.000 0.281 240 L C -0.147 176.716 176.870 -0.013 0.000 1.070 240 L CA -0.282 54.569 54.840 0.018 0.000 0.805 240 L CB 1.286 43.350 42.059 0.007 0.000 1.174 240 L HN 0.652 nan 8.230 nan 0.000 0.434 241 T N 0.698 115.195 114.554 -0.095 0.000 2.787 241 T HA 0.514 4.865 4.350 0.002 0.000 0.297 241 T C -1.032 173.578 174.700 -0.150 0.000 1.221 241 T CA -1.158 60.884 62.100 -0.097 0.000 1.006 241 T CB 2.445 71.261 68.868 -0.087 0.000 1.328 241 T HN 0.624 nan 8.240 nan 0.000 0.509 242 K N -0.430 119.881 120.400 -0.148 0.000 2.400 242 K HA 0.787 5.108 4.320 0.002 0.000 0.246 242 K C -0.527 176.007 176.600 -0.110 0.000 0.995 242 K CA -1.004 55.171 56.287 -0.186 0.000 0.840 242 K CB 1.510 33.850 32.500 -0.266 0.000 1.293 242 K HN 0.715 nan 8.250 nan 0.000 0.445 243 T N -1.293 113.221 114.554 -0.067 0.000 2.918 243 T HA 0.351 4.701 4.350 0.002 0.000 0.283 243 T C -0.019 174.631 174.700 -0.083 0.000 1.001 243 T CA -0.581 61.473 62.100 -0.076 0.000 1.041 243 T CB 1.202 70.026 68.868 -0.074 0.000 1.028 243 T HN 0.520 nan 8.240 nan 0.000 0.511 244 T N 1.586 116.055 114.554 -0.142 0.000 2.929 244 T HA 0.271 4.622 4.350 0.002 0.000 0.284 244 T C 1.671 176.335 174.700 -0.059 0.000 1.014 244 T CA -0.710 61.346 62.100 -0.073 0.000 1.051 244 T CB 1.490 70.318 68.868 -0.065 0.000 1.028 244 T HN 0.841 nan 8.240 nan 0.000 0.485 245 E N 1.774 122.046 120.200 0.121 0.000 2.169 245 E HA -0.323 4.028 4.350 0.002 0.000 0.202 245 E C 1.736 178.406 176.600 0.117 0.000 1.016 245 E CA 1.425 57.967 56.400 0.237 0.000 0.817 245 E CB -0.093 29.680 29.700 0.122 0.000 0.736 245 E HN 0.583 nan 8.360 nan 0.000 0.462 246 K N 0.406 120.813 120.400 0.011 0.000 2.217 246 K HA -0.068 4.253 4.320 0.002 0.000 0.202 246 K C 1.975 178.538 176.600 -0.062 0.000 1.051 246 K CA 1.511 57.786 56.287 -0.020 0.000 0.952 246 K CB 0.043 32.525 32.500 -0.029 0.000 0.736 246 K HN 0.156 nan 8.250 nan 0.000 0.453 247 T N -0.109 114.358 114.554 -0.145 0.000 2.708 247 T HA -0.130 4.221 4.350 0.002 0.000 0.266 247 T C 1.349 175.952 174.700 -0.162 0.000 1.037 247 T CA 1.636 63.626 62.100 -0.185 0.000 1.146 247 T CB -0.427 68.273 68.868 -0.281 0.000 0.865 247 T HN 0.461 nan 8.240 nan 0.000 0.435 248 H N 1.071 120.157 119.070 0.027 0.000 2.387 248 H HA -0.040 4.517 4.556 0.002 0.000 0.299 248 H C 2.215 177.507 175.328 -0.060 0.000 1.090 248 H CA 1.214 57.269 56.048 0.012 0.000 1.332 248 H CB -0.127 29.674 29.762 0.066 0.000 1.386 248 H HN 0.236 nan 8.280 nan 0.000 0.516 249 D N 0.617 121.048 120.400 0.052 0.000 2.097 249 D HA -0.132 4.508 4.640 0.002 0.000 0.195 249 D C 2.160 178.405 176.300 -0.091 0.000 0.989 249 D CA 1.002 54.988 54.000 -0.024 0.000 0.827 249 D CB -0.240 40.554 40.800 -0.010 0.000 0.966 249 D HN 0.394 nan 8.370 nan 0.000 0.456 250 I N 0.162 120.685 120.570 -0.078 0.000 2.286 250 I HA -0.249 3.922 4.170 0.002 0.000 0.248 250 I C 2.047 178.074 176.117 -0.151 0.000 1.115 250 I CA 0.644 61.889 61.300 -0.091 0.000 1.392 250 I CB -0.097 37.869 38.000 -0.056 0.000 1.065 250 I HN -0.028 nan 8.210 nan 0.000 0.418 251 L N 0.181 121.292 121.223 -0.186 0.000 2.240 251 L HA -0.031 4.310 4.340 0.002 0.000 0.211 251 L C 2.487 178.906 176.870 -0.753 0.000 1.106 251 L CA 1.338 55.994 54.840 -0.306 0.000 0.793 251 L CB -0.606 41.340 42.059 -0.187 0.000 0.927 251 L HN 0.060 nan 8.230 nan 0.000 0.446 252 R N -1.124 118.892 120.500 -0.806 0.000 2.152 252 R HA -0.131 4.210 4.340 0.002 0.000 0.232 252 R C 2.047 177.898 176.300 -0.747 0.000 1.117 252 R CA 1.558 56.944 56.100 -1.189 0.000 0.981 252 R CB -0.775 29.225 30.300 -0.500 0.000 0.870 252 R HN 0.345 nan 8.270 nan 0.000 0.451 253 T N -0.044 114.256 114.554 -0.423 0.000 2.653 253 T HA -0.182 4.169 4.350 0.002 0.000 0.268 253 T C 1.709 176.282 174.700 -0.211 0.000 1.035 253 T CA 1.789 63.745 62.100 -0.240 0.000 1.154 253 T CB -0.331 68.443 68.868 -0.158 0.000 0.862 253 T HN 0.547 nan 8.240 nan 0.000 0.441 254 G N -0.645 108.007 108.800 -0.248 0.000 3.189 254 G HA2 0.185 4.146 3.960 0.002 0.000 0.225 254 G HA3 0.185 4.146 3.960 0.002 0.000 0.225 254 G C 0.940 175.819 174.900 -0.035 0.000 1.159 254 G CA -0.337 44.697 45.100 -0.110 0.000 0.763 254 G HN 0.272 nan 8.290 nan 0.000 0.549 255 F N 1.994 121.805 119.950 -0.232 0.000 2.091 255 F HA -0.072 4.456 4.527 0.001 0.000 0.299 255 F C 1.933 177.574 175.800 -0.265 0.000 1.103 255 F CA 0.989 58.710 58.000 -0.466 0.000 1.228 255 F CB -0.326 38.161 39.000 -0.856 0.000 0.984 255 F HN 0.138 nan 8.300 nan 0.000 0.477 256 D N -0.876 119.574 120.400 0.082 0.000 2.371 256 D HA -0.035 4.606 4.640 0.002 0.000 0.221 256 D C 2.260 178.631 176.300 0.119 0.000 0.986 256 D CA 0.481 54.567 54.000 0.143 0.000 0.899 256 D CB -0.131 40.736 40.800 0.111 0.000 0.902 256 D HN 0.274 nan 8.370 nan 0.000 0.530 257 R N 0.101 120.657 120.500 0.093 0.000 2.146 257 R HA 0.085 4.426 4.340 0.002 0.000 0.206 257 R C 0.720 177.078 176.300 0.096 0.000 1.049 257 R CA 0.197 56.346 56.100 0.082 0.000 1.029 257 R CB 0.228 30.564 30.300 0.060 0.000 0.949 257 R HN 0.032 nan 8.270 nan 0.000 0.471 258 S N 2.781 118.548 115.700 0.112 0.000 2.481 258 S HA 0.124 4.595 4.470 0.002 0.000 0.282 258 S C -1.938 172.722 174.600 0.101 0.000 1.243 258 S CA -1.126 57.141 58.200 0.112 0.000 1.078 258 S CB 0.961 64.237 63.200 0.126 0.000 0.916 258 S HN 0.075 nan 8.310 nan 0.000 0.495 259 P HA 0.205 nan 4.420 nan 0.000 0.259 259 P C 0.335 177.586 177.300 -0.082 0.000 1.480 259 P CA -0.016 63.039 63.100 -0.075 0.000 0.842 259 P CB -0.007 31.531 31.700 -0.270 0.000 1.513 260 L N -2.094 119.131 121.223 0.003 0.000 2.642 260 L HA 0.264 4.605 4.340 0.002 0.000 0.233 260 L C 0.899 177.787 176.870 0.030 0.000 1.077 260 L CA -0.361 54.478 54.840 -0.003 0.000 0.879 260 L CB -0.021 42.042 42.059 0.007 0.000 1.151 260 L HN -0.085 nan 8.230 nan 0.000 0.495 261 F N 2.093 121.986 119.950 -0.094 0.000 2.593 261 F HA 0.048 4.576 4.527 0.001 0.000 0.393 261 F C 0.540 176.258 175.800 -0.137 0.000 1.037 261 F CA 0.271 58.180 58.000 -0.151 0.000 1.195 261 F CB 0.369 39.277 39.000 -0.153 0.000 1.034 261 F HN -0.242 nan 8.300 nan 0.000 0.552 262 T N 5.539 119.715 114.554 -0.630 0.000 2.848 262 T HA 0.628 4.979 4.350 0.002 0.000 0.285 262 T C -0.085 174.230 174.700 -0.641 0.000 0.995 262 T CA 0.377 62.157 62.100 -0.533 0.000 0.970 262 T CB 0.379 69.096 68.868 -0.251 0.000 0.976 262 T HN 1.609 nan 8.240 nan 0.000 0.441 274 P HA 0.582 nan 4.420 nan 0.000 0.203 274 P C -0.347 176.939 177.300 -0.022 0.000 1.874 274 P CA 0.302 63.398 63.100 -0.006 0.000 1.058 274 P CB 0.580 32.278 31.700 -0.003 0.000 1.848 275 S N 0.416 116.094 115.700 -0.035 0.000 2.633 275 S HA 0.236 4.707 4.470 0.002 0.000 0.271 275 S C 0.031 174.570 174.600 -0.101 0.000 1.112 275 S CA -0.418 57.746 58.200 -0.061 0.000 0.828 275 S CB 0.764 63.947 63.200 -0.027 0.000 1.086 275 S HN 0.136 nan 8.310 nan 0.000 0.461 276 I N 1.703 122.168 120.570 -0.176 0.000 3.265 276 I HA 0.251 4.422 4.170 0.002 0.000 0.282 276 I C 1.568 177.620 176.117 -0.108 0.000 1.207 276 I CA 1.210 62.369 61.300 -0.235 0.000 1.449 276 I CB -0.137 37.552 38.000 -0.518 0.000 1.121 276 I HN 0.715 nan 8.210 nan 0.000 0.442 277 E N 0.353 120.534 120.200 -0.030 0.000 2.031 277 E HA -0.258 4.093 4.350 0.002 0.000 0.193 277 E C 1.740 178.292 176.600 -0.079 0.000 0.994 277 E CA 1.715 58.182 56.400 0.110 0.000 0.800 277 E CB -0.312 29.459 29.700 0.119 0.000 0.752 277 E HN 0.488 nan 8.360 nan 0.000 0.447 278 D N 0.579 120.967 120.400 -0.019 0.000 2.123 278 D HA -0.190 4.451 4.640 0.002 0.000 0.196 278 D C 1.795 178.101 176.300 0.010 0.000 0.992 278 D CA 1.302 55.300 54.000 -0.002 0.000 0.833 278 D CB 0.062 40.861 40.800 -0.001 0.000 0.954 278 D HN -0.021 nan 8.370 nan 0.000 0.455 279 K N -0.324 120.076 120.400 0.000 0.000 2.009 279 K HA -0.121 4.200 4.320 0.002 0.000 0.210 279 K C 2.229 178.869 176.600 0.068 0.000 1.049 279 K CA 1.522 57.824 56.287 0.024 0.000 0.929 279 K CB -0.195 32.196 32.500 -0.183 0.000 0.714 279 K HN 0.236 nan 8.250 nan 0.000 0.440 280 I N 0.112 120.688 120.570 0.009 0.000 2.394 280 I HA -0.240 3.931 4.170 0.002 0.000 0.251 280 I C 2.493 178.685 176.117 0.125 0.000 1.136 280 I CA 0.756 62.127 61.300 0.119 0.000 1.425 280 I CB -0.268 37.874 38.000 0.236 0.000 1.079 280 I HN 0.189 nan 8.210 nan 0.000 0.425 281 S N 0.935 116.655 115.700 0.034 0.000 2.345 281 S HA -0.102 4.369 4.470 0.002 0.000 0.220 281 S C 2.191 176.780 174.600 -0.018 0.000 1.031 281 S CA 1.244 59.436 58.200 -0.014 0.000 0.996 281 S CB -0.082 63.090 63.200 -0.046 0.000 0.882 281 S HN 0.337 nan 8.310 nan 0.000 0.445 282 R N -1.014 119.456 120.500 -0.051 0.000 2.189 282 R HA 0.073 4.414 4.340 0.002 0.000 0.218 282 R C -0.325 175.686 176.300 -0.481 0.000 1.074 282 R CA 0.691 56.643 56.100 -0.246 0.000 0.991 282 R CB -0.038 30.110 30.300 -0.254 0.000 0.883 282 R HN 0.354 nan 8.270 nan 0.000 0.457 283 F N 0.478 120.461 119.950 0.055 0.000 2.622 283 F HA 0.282 4.810 4.527 0.002 0.000 0.338 283 F C -1.771 174.060 175.800 0.052 0.000 1.334 283 F CA -2.160 55.882 58.000 0.070 0.000 1.179 283 F CB 1.780 40.858 39.000 0.130 0.000 1.471 283 F HN -0.151 nan 8.300 nan 0.000 0.576 284 P HA 0.013 nan 4.420 nan 0.000 0.249 284 P C 0.691 178.016 177.300 0.042 0.000 1.229 284 P CA 0.760 63.899 63.100 0.065 0.000 0.788 284 P CB 0.568 32.297 31.700 0.048 0.000 1.072 285 D N 0.244 120.692 120.400 0.080 0.000 2.213 285 D HA 0.009 4.650 4.640 0.002 0.000 0.205 285 D C 0.723 177.033 176.300 0.016 0.000 0.961 285 D CA 0.731 54.763 54.000 0.054 0.000 0.853 285 D CB -0.020 40.828 40.800 0.081 0.000 0.967 285 D HN 0.168 nan 8.370 nan 0.000 0.496 286 K N 0.834 121.235 120.400 0.002 0.000 2.383 286 K HA 0.113 4.434 4.320 0.002 0.000 0.286 286 K C 0.583 177.082 176.600 -0.167 0.000 1.051 286 K CA 0.018 56.233 56.287 -0.120 0.000 0.974 286 K CB 0.944 33.290 32.500 -0.258 0.000 0.968 286 K HN -0.201 nan 8.250 nan 0.000 0.475 287 S N 1.729 117.365 115.700 -0.106 0.000 2.660 287 S HA 0.037 4.508 4.470 0.002 0.000 0.227 287 S C -0.240 174.388 174.600 0.046 0.000 0.948 287 S CA -0.078 58.101 58.200 -0.034 0.000 0.948 287 S CB 0.003 63.204 63.200 0.002 0.000 0.779 287 S HN 0.555 nan 8.310 nan 0.000 0.487 288 S N -0.244 115.413 115.700 -0.071 0.000 2.543 288 S HA 0.582 5.053 4.470 0.002 0.000 0.274 288 S C -1.856 172.565 174.600 -0.299 0.000 1.149 288 S CA -0.623 57.548 58.200 -0.048 0.000 0.866 288 S CB 0.951 64.079 63.200 -0.120 0.000 1.111 288 S HN 0.526 nan 8.310 nan 0.000 0.457 289 H N 1.361 120.446 119.070 0.026 0.000 2.894 289 H HA 0.439 4.996 4.556 0.001 0.000 0.367 289 H C -0.799 174.466 175.328 -0.105 0.000 1.144 289 H CA -0.719 55.331 56.048 0.004 0.000 1.180 289 H CB 1.125 30.968 29.762 0.135 0.000 1.758 289 H HN 0.556 nan 8.280 nan 0.000 0.541 290 H N 2.510 121.626 119.070 0.076 0.000 2.683 290 H HA 0.253 4.810 4.556 0.002 0.000 0.339 290 H C -0.084 175.162 175.328 -0.137 0.000 1.081 290 H CA 0.097 56.072 56.048 -0.122 0.000 1.432 290 H CB 0.905 30.545 29.762 -0.205 0.000 1.462 290 H HN 0.505 nan 8.280 nan 0.000 0.557 291 I N -0.106 120.368 120.570 -0.160 0.000 2.545 291 I HA 0.414 4.585 4.170 0.002 0.000 0.292 291 I C -1.307 174.641 176.117 -0.282 0.000 1.040 291 I CA -0.846 60.390 61.300 -0.106 0.000 1.068 291 I CB 1.604 39.607 38.000 0.005 0.000 1.251 291 I HN 0.107 nan 8.210 nan 0.000 0.424 292 F N 5.933 125.947 119.950 0.106 0.000 2.402 292 F HA 0.567 5.095 4.527 0.002 0.000 0.355 292 F C -0.310 175.562 175.800 0.120 0.000 1.123 292 F CA -0.697 57.366 58.000 0.105 0.000 1.021 292 F CB 1.639 40.691 39.000 0.087 0.000 1.160 292 F HN 0.277 nan 8.300 nan 0.000 0.451 293 L N 4.216 125.602 121.223 0.272 0.000 2.281 293 L HA 0.415 4.756 4.340 0.002 0.000 0.285 293 L C -0.426 176.627 176.870 0.306 0.000 1.074 293 L CA -0.208 54.776 54.840 0.239 0.000 0.817 293 L CB 0.649 42.808 42.059 0.166 0.000 1.168 293 L HN 0.611 nan 8.230 nan 0.000 0.434 294 E N 4.910 125.276 120.200 0.276 0.000 2.216 294 E HA 0.346 4.697 4.350 0.002 0.000 0.260 294 E C -2.487 174.227 176.600 0.189 0.000 0.880 294 E CA -2.076 54.455 56.400 0.218 0.000 0.765 294 E CB 1.892 31.683 29.700 0.151 0.000 1.174 294 E HN 0.301 nan 8.360 nan 0.000 0.417 295 P HA -0.046 nan 4.420 nan 0.000 0.266 295 P C -0.029 177.317 177.300 0.075 0.000 1.195 295 P CA 0.250 63.431 63.100 0.134 0.000 0.768 295 P CB 0.678 32.463 31.700 0.142 0.000 0.838 296 E N 0.755 120.996 120.200 0.067 0.000 2.474 296 E HA 0.188 4.539 4.350 0.002 0.000 0.194 296 E C 0.832 177.443 176.600 0.018 0.000 1.041 296 E CA 0.017 56.437 56.400 0.032 0.000 0.874 296 E CB 0.339 30.071 29.700 0.054 0.000 0.914 296 E HN 0.604 nan 8.360 nan 0.000 0.498 297 G N -0.325 108.493 108.800 0.031 0.000 2.623 297 G HA2 0.119 4.080 3.960 0.002 0.000 0.290 297 G HA3 0.119 4.080 3.960 0.002 0.000 0.290 297 G C 0.513 175.433 174.900 0.033 0.000 1.437 297 G CA -0.213 44.903 45.100 0.026 0.000 0.798 297 G HN -0.031 nan 8.290 nan 0.000 0.488 298 T N -1.977 112.594 114.554 0.028 0.000 2.904 298 T HA 0.024 4.375 4.350 0.002 0.000 0.267 298 T C 0.697 175.414 174.700 0.029 0.000 1.059 298 T CA 1.889 64.007 62.100 0.030 0.000 1.137 298 T CB -0.103 68.781 68.868 0.026 0.000 0.879 298 T HN 0.650 nan 8.240 nan 0.000 0.467 299 D N 0.354 120.770 120.400 0.027 0.000 2.945 299 D HA 0.283 4.924 4.640 0.002 0.000 0.340 299 D C -0.568 175.747 176.300 0.026 0.000 1.240 299 D CA -0.500 53.514 54.000 0.024 0.000 0.749 299 D CB 0.116 40.926 40.800 0.018 0.000 1.217 299 D HN 0.159 nan 8.370 nan 0.000 0.514 300 T N -1.116 113.457 114.554 0.032 0.000 2.950 300 T HA 0.363 4.714 4.350 0.002 0.000 0.288 300 T C 0.377 175.101 174.700 0.039 0.000 1.035 300 T CA -0.586 61.535 62.100 0.034 0.000 1.028 300 T CB 2.111 71.002 68.868 0.038 0.000 1.109 300 T HN -0.058 nan 8.240 nan 0.000 0.514 301 V N 2.043 121.980 119.914 0.037 0.000 3.621 301 V HA 0.388 4.509 4.120 0.002 0.000 0.285 301 V C 0.749 176.871 176.094 0.047 0.000 1.346 301 V CA 0.271 62.594 62.300 0.040 0.000 1.104 301 V CB -0.434 31.407 31.823 0.029 0.000 0.913 301 V HN 0.870 nan 8.190 nan 0.000 0.432 302 E N 1.377 121.608 120.200 0.052 0.000 2.289 302 E HA 0.373 4.724 4.350 0.002 0.000 0.278 302 E C -0.465 176.183 176.600 0.081 0.000 1.032 302 E CA -0.178 56.258 56.400 0.061 0.000 0.854 302 E CB 0.885 30.623 29.700 0.063 0.000 1.046 302 E HN 0.462 nan 8.360 nan 0.000 0.409 303 M N 4.926 124.577 119.600 0.085 0.000 2.327 303 M HA 0.244 4.725 4.480 0.002 0.000 0.298 303 M C -1.757 174.627 176.300 0.140 0.000 1.065 303 M CA -0.798 54.571 55.300 0.115 0.000 0.916 303 M CB 1.330 33.983 32.600 0.089 0.000 1.630 303 M HN 0.596 nan 8.290 nan 0.000 0.442 304 Y N 4.346 124.669 120.300 0.039 0.000 2.316 304 Y HA 0.494 5.045 4.550 0.003 0.000 0.331 304 Y C -0.760 175.167 175.900 0.046 0.000 1.083 304 Y CA -0.262 57.859 58.100 0.035 0.000 1.206 304 Y CB 1.006 39.484 38.460 0.031 0.000 1.195 304 Y HN 0.413 nan 8.280 nan 0.000 0.497 305 V N 6.781 126.532 119.914 -0.272 0.000 2.184 305 V HA 0.090 4.211 4.120 0.002 0.000 0.262 305 V C -0.004 175.993 176.094 -0.161 0.000 1.209 305 V CA -0.890 61.317 62.300 -0.155 0.000 1.070 305 V CB -0.588 31.113 31.823 -0.204 0.000 1.244 305 V HN 0.752 nan 8.190 nan 0.000 0.477 306 N N 2.899 121.659 118.700 0.099 0.000 2.353 306 N HA 0.284 5.025 4.740 0.002 0.000 0.248 306 N C 1.332 176.987 175.510 0.241 0.000 1.240 306 N CA 1.917 55.125 53.050 0.262 0.000 0.862 306 N CB 0.687 39.450 38.487 0.461 0.000 1.086 306 N HN 0.853 nan 8.380 nan 0.000 0.453 307 G N 2.094 111.008 108.800 0.189 0.000 2.148 307 G HA2 -0.283 3.678 3.960 0.002 0.000 0.254 307 G HA3 -0.283 3.678 3.960 0.002 0.000 0.254 307 G C 0.127 175.114 174.900 0.144 0.000 0.981 307 G CA 0.302 45.499 45.100 0.162 0.000 0.670 307 G HN 0.597 nan 8.290 nan 0.000 0.528 308 F N 2.283 122.201 119.950 -0.054 0.000 2.879 308 F HA 0.566 5.094 4.527 0.002 0.000 0.354 308 F C 0.860 176.601 175.800 -0.098 0.000 1.291 308 F CA -0.319 57.637 58.000 -0.073 0.000 1.238 308 F CB 0.675 39.623 39.000 -0.088 0.000 1.005 308 F HN 0.039 nan 8.300 nan 0.000 0.508 309 S N 1.184 116.836 115.700 -0.080 0.000 2.537 309 S HA 0.327 4.798 4.470 0.002 0.000 0.286 309 S C 0.225 174.733 174.600 -0.154 0.000 1.299 309 S CA 0.464 58.604 58.200 -0.101 0.000 1.067 309 S CB 0.773 63.925 63.200 -0.081 0.000 0.864 309 S HN 0.482 nan 8.310 nan 0.000 0.494 310 T N 1.354 115.848 114.554 -0.101 0.000 2.889 310 T HA 0.446 4.797 4.350 0.002 0.000 0.315 310 T C -0.225 174.482 174.700 0.011 0.000 1.291 310 T CA -0.658 61.389 62.100 -0.088 0.000 1.028 310 T CB 1.295 70.070 68.868 -0.155 0.000 1.235 310 T HN 0.293 nan 8.240 nan 0.000 0.491 311 S N 2.226 117.950 115.700 0.040 0.000 2.819 311 S HA 0.361 4.832 4.470 0.002 0.000 0.249 311 S C 0.385 175.044 174.600 0.098 0.000 1.030 311 S CA -0.439 57.820 58.200 0.097 0.000 1.052 311 S CB -0.161 63.095 63.200 0.093 0.000 1.017 311 S HN 0.588 nan 8.310 nan 0.000 0.576 312 L N 2.411 123.678 121.223 0.073 0.000 2.473 312 L HA 0.246 4.587 4.340 0.002 0.000 0.268 312 L C -2.346 174.571 176.870 0.080 0.000 1.215 312 L CA -1.927 52.951 54.840 0.064 0.000 0.823 312 L CB -0.315 41.763 42.059 0.031 0.000 1.099 312 L HN -0.068 nan 8.230 nan 0.000 0.483 313 P HA -0.063 nan 4.420 nan 0.000 0.264 313 P C 0.391 177.738 177.300 0.077 0.000 1.183 313 P CA 0.151 63.292 63.100 0.069 0.000 0.763 313 P CB 0.499 32.226 31.700 0.046 0.000 0.807 314 E N 2.934 123.190 120.200 0.094 0.000 2.108 314 E HA -0.352 3.999 4.350 0.002 0.000 0.203 314 E C 1.264 177.904 176.600 0.066 0.000 1.022 314 E CA 2.059 58.515 56.400 0.094 0.000 0.823 314 E CB -0.118 29.643 29.700 0.101 0.000 0.744 314 E HN 0.568 nan 8.360 nan 0.000 0.456 315 D N 0.097 120.527 120.400 0.050 0.000 2.219 315 D HA -0.166 4.475 4.640 0.002 0.000 0.205 315 D C 1.986 178.300 176.300 0.024 0.000 0.970 315 D CA 0.843 54.862 54.000 0.031 0.000 0.851 315 D CB -0.422 40.391 40.800 0.022 0.000 0.943 315 D HN 0.407 nan 8.370 nan 0.000 0.488 316 I N 0.194 120.781 120.570 0.028 0.000 2.500 316 I HA -0.181 3.990 4.170 0.002 0.000 0.252 316 I C 2.673 178.819 176.117 0.049 0.000 1.142 316 I CA 0.522 61.833 61.300 0.017 0.000 1.451 316 I CB -0.154 37.843 38.000 -0.005 0.000 1.093 316 I HN -0.067 nan 8.210 nan 0.000 0.430 317 Q N 0.733 120.583 119.800 0.084 0.000 2.030 317 Q HA -0.207 4.134 4.340 0.002 0.000 0.204 317 Q C 2.390 178.433 176.000 0.073 0.000 0.986 317 Q CA 1.693 57.586 55.803 0.151 0.000 0.843 317 Q CB -0.127 28.709 28.738 0.164 0.000 0.904 317 Q HN 0.518 nan 8.270 nan 0.000 0.420 318 I N 0.556 121.140 120.570 0.022 0.000 2.286 318 I HA -0.271 3.900 4.170 0.002 0.000 0.248 318 I C 2.419 178.515 176.117 -0.035 0.000 1.115 318 I CA 0.912 62.196 61.300 -0.026 0.000 1.392 318 I CB -0.494 37.494 38.000 -0.019 0.000 1.065 318 I HN 0.171 nan 8.210 nan 0.000 0.418 319 A N 1.020 123.832 122.820 -0.013 0.000 1.933 319 A HA -0.111 4.210 4.320 0.002 0.000 0.218 319 A C 2.414 179.984 177.584 -0.023 0.000 1.175 319 A CA 1.912 53.937 52.037 -0.021 0.000 0.628 319 A CB -1.242 17.748 19.000 -0.016 0.000 0.814 319 A HN 0.470 nan 8.150 nan 0.000 0.444 320 G N -0.351 108.457 108.800 0.013 0.000 2.404 320 G HA2 -0.042 3.919 3.960 0.002 0.000 0.214 320 G HA3 -0.042 3.919 3.960 0.002 0.000 0.214 320 G C 1.454 176.325 174.900 -0.049 0.000 1.189 320 G CA 0.934 46.061 45.100 0.046 0.000 0.789 320 G HN 0.360 nan 8.290 nan 0.000 0.533 321 L N 0.332 121.456 121.223 -0.164 0.000 2.043 321 L HA -0.073 4.268 4.340 0.002 0.000 0.212 321 L C 2.989 179.739 176.870 -0.201 0.000 1.075 321 L CA 1.384 56.031 54.840 -0.322 0.000 0.752 321 L CB -0.204 41.638 42.059 -0.361 0.000 0.891 321 L HN 0.113 nan 8.230 nan 0.000 0.432 322 R N -1.007 119.413 120.500 -0.134 0.000 2.235 322 R HA -0.065 4.276 4.340 0.002 0.000 0.213 322 R C 2.338 178.580 176.300 -0.096 0.000 1.059 322 R CA 1.178 57.214 56.100 -0.108 0.000 0.997 322 R CB -0.294 29.958 30.300 -0.080 0.000 0.884 322 R HN 0.539 nan 8.270 nan 0.000 0.462 323 S N 0.407 116.052 115.700 -0.092 0.000 2.470 323 S HA 0.036 4.507 4.470 0.002 0.000 0.225 323 S C 1.022 175.565 174.600 -0.094 0.000 1.006 323 S CA 0.029 58.180 58.200 -0.082 0.000 0.934 323 S CB -0.170 62.987 63.200 -0.072 0.000 0.778 323 S HN 0.083 nan 8.310 nan 0.000 0.517 324 I N 4.581 125.082 120.570 -0.115 0.000 2.598 324 I HA 0.152 4.323 4.170 0.002 0.000 0.284 324 I C -2.152 173.897 176.117 -0.113 0.000 1.140 324 I CA -2.041 59.187 61.300 -0.120 0.000 1.420 324 I CB 0.268 38.177 38.000 -0.152 0.000 1.387 324 I HN 0.080 nan 8.210 nan 0.000 0.553 325 P HA -0.032 nan 4.420 nan 0.000 0.262 325 P C 0.839 178.076 177.300 -0.105 0.000 1.182 325 P CA 0.715 63.762 63.100 -0.089 0.000 0.761 325 P CB 0.733 32.389 31.700 -0.073 0.000 0.795 326 G N 2.699 111.432 108.800 -0.111 0.000 2.241 326 G HA2 -0.248 3.713 3.960 0.002 0.000 0.244 326 G HA3 -0.248 3.713 3.960 0.002 0.000 0.244 326 G C 0.386 175.179 174.900 -0.178 0.000 0.998 326 G CA 0.079 45.090 45.100 -0.148 0.000 0.621 326 G HN 0.508 nan 8.290 nan 0.000 0.519 327 L N 0.322 121.451 121.223 -0.156 0.000 3.110 327 L HA 0.391 4.732 4.340 0.002 0.000 0.266 327 L C 1.649 178.441 176.870 -0.131 0.000 1.257 327 L CA -0.182 54.561 54.840 -0.162 0.000 1.038 327 L CB 0.661 42.610 42.059 -0.184 0.000 1.395 327 L HN 0.048 nan 8.230 nan 0.000 0.566 328 E N 1.012 121.146 120.200 -0.109 0.000 2.204 328 E HA -0.145 4.206 4.350 0.002 0.000 0.195 328 E C 0.851 177.405 176.600 -0.078 0.000 0.990 328 E CA 1.093 57.441 56.400 -0.086 0.000 0.821 328 E CB 0.149 29.806 29.700 -0.071 0.000 0.750 328 E HN 0.410 nan 8.360 nan 0.000 0.477 329 E N -0.245 119.905 120.200 -0.083 0.000 2.736 329 E HA 0.322 4.673 4.350 0.002 0.000 0.208 329 E C -0.731 175.824 176.600 -0.075 0.000 0.996 329 E CA -0.309 56.049 56.400 -0.068 0.000 1.104 329 E CB 1.041 30.707 29.700 -0.057 0.000 1.111 329 E HN 0.081 nan 8.360 nan 0.000 0.455 330 A N 1.729 124.493 122.820 -0.093 0.000 2.492 330 A HA 0.128 4.449 4.320 0.002 0.000 0.254 330 A C 0.052 177.591 177.584 -0.074 0.000 1.091 330 A CA 0.234 52.211 52.037 -0.099 0.000 0.768 330 A CB 0.143 19.064 19.000 -0.131 0.000 1.028 330 A HN 0.070 nan 8.150 nan 0.000 0.498 331 K N 2.443 122.808 120.400 -0.059 0.000 2.240 331 K HA 0.348 4.669 4.320 0.002 0.000 0.271 331 K C -0.423 176.154 176.600 -0.038 0.000 1.018 331 K CA 0.000 56.263 56.287 -0.041 0.000 0.874 331 K CB 1.467 33.951 32.500 -0.027 0.000 1.098 331 K HN 0.813 nan 8.250 nan 0.000 0.458 332 M N 5.753 125.333 119.600 -0.033 0.000 2.063 332 M HA 0.200 4.681 4.480 0.002 0.000 0.348 332 M C 0.176 176.474 176.300 -0.003 0.000 1.180 332 M CA -0.179 55.105 55.300 -0.027 0.000 1.059 332 M CB 0.520 33.103 32.600 -0.028 0.000 1.544 332 M HN 0.716 nan 8.290 nan 0.000 0.447 333 I N 3.104 123.677 120.570 0.005 0.000 2.333 333 I HA -0.078 4.093 4.170 0.002 0.000 0.246 333 I C 0.583 176.721 176.117 0.036 0.000 1.106 333 I CA 0.941 62.253 61.300 0.020 0.000 1.411 333 I CB 0.027 38.042 38.000 0.025 0.000 1.082 333 I HN 0.632 nan 8.210 nan 0.000 0.420 334 R N 0.572 121.101 120.500 0.048 0.000 2.750 334 R HA 0.407 4.748 4.340 0.002 0.000 0.281 334 R C -2.616 173.737 176.300 0.089 0.000 0.972 334 R CA -1.843 54.306 56.100 0.082 0.000 0.912 334 R CB 1.515 31.886 30.300 0.119 0.000 1.187 334 R HN -0.162 nan 8.270 nan 0.000 0.464 335 P HA 0.106 nan 4.420 nan 0.000 0.277 335 P C -0.258 177.155 177.300 0.189 0.000 1.240 335 P CA -0.361 62.827 63.100 0.147 0.000 0.798 335 P CB 0.889 32.689 31.700 0.167 0.000 0.979 336 G N 1.519 110.401 108.800 0.137 0.000 2.483 336 G HA2 0.448 4.409 3.960 0.002 0.000 0.248 336 G HA3 0.448 4.409 3.960 0.002 0.000 0.248 336 G C -0.950 174.048 174.900 0.163 0.000 1.248 336 G CA -0.161 44.980 45.100 0.067 0.000 0.838 336 G HN 0.631 nan 8.290 nan 0.000 0.566 337 Y N -1.261 119.093 120.300 0.090 0.000 2.689 337 Y HA 0.789 5.340 4.550 0.001 0.000 0.333 337 Y C -0.248 175.712 175.900 0.100 0.000 1.190 337 Y CA -1.542 56.623 58.100 0.107 0.000 1.063 337 Y CB 1.094 39.633 38.460 0.131 0.000 1.294 337 Y HN 0.787 nan 8.280 nan 0.000 0.466 338 A N 1.422 124.493 122.820 0.417 0.000 2.355 338 A HA 0.740 5.061 4.320 0.002 0.000 0.324 338 A C -1.796 176.056 177.584 0.446 0.000 1.117 338 A CA -0.751 51.469 52.037 0.305 0.000 0.785 338 A CB 1.297 20.400 19.000 0.171 0.000 1.254 338 A HN 0.831 nan 8.150 nan 0.000 0.453 339 I N 0.743 121.526 120.570 0.355 0.000 2.362 339 I HA 0.415 4.586 4.170 0.002 0.000 0.289 339 I C -0.158 176.178 176.117 0.366 0.000 0.994 339 I CA -0.088 61.420 61.300 0.347 0.000 1.158 339 I CB 1.316 39.475 38.000 0.265 0.000 1.315 339 I HN 0.727 nan 8.210 nan 0.000 0.451 340 E N 7.078 127.489 120.200 0.353 0.000 2.175 340 E HA 0.454 4.805 4.350 0.002 0.000 0.278 340 E C -1.824 174.948 176.600 0.286 0.000 0.969 340 E CA -0.569 55.986 56.400 0.259 0.000 0.796 340 E CB 1.086 30.927 29.700 0.235 0.000 1.104 340 E HN 0.577 nan 8.360 nan 0.000 0.395 341 Y N 0.542 120.885 120.300 0.071 0.000 2.625 341 Y HA 0.446 4.998 4.550 0.003 0.000 0.338 341 Y C -1.129 174.808 175.900 0.062 0.000 1.123 341 Y CA -1.609 56.521 58.100 0.049 0.000 1.046 341 Y CB 0.670 39.139 38.460 0.015 0.000 1.299 341 Y HN 0.193 nan 8.280 nan 0.000 0.464 342 D N 2.422 122.882 120.400 0.100 0.000 2.308 342 D HA 0.340 4.981 4.640 0.002 0.000 0.251 342 D C -0.804 175.446 176.300 -0.084 0.000 1.127 342 D CA 0.372 54.324 54.000 -0.079 0.000 0.876 342 D CB 0.888 41.541 40.800 -0.244 0.000 1.176 342 D HN 0.580 nan 8.370 nan 0.000 0.446 343 F N -0.036 119.681 119.950 -0.387 0.000 2.588 343 F HA 0.675 5.202 4.527 0.002 0.000 0.314 343 F C -1.523 173.935 175.800 -0.570 0.000 1.069 343 F CA -1.409 56.367 58.000 -0.373 0.000 0.931 343 F CB 0.986 39.869 39.000 -0.195 0.000 1.260 343 F HN 0.031 nan 8.300 nan 0.000 0.465 344 F N 1.840 121.720 119.950 -0.117 0.000 2.404 344 F HA 0.374 4.902 4.527 0.001 0.000 0.354 344 F C 0.109 175.830 175.800 -0.133 0.000 1.122 344 F CA -0.708 57.189 58.000 -0.172 0.000 1.080 344 F CB 0.661 39.755 39.000 0.156 0.000 1.131 344 F HN 0.554 nan 8.300 nan 0.000 0.471 345 H N 4.200 123.156 119.070 -0.189 0.000 3.192 345 H HA -0.016 4.541 4.556 0.002 0.000 0.295 345 H C -1.710 173.401 175.328 -0.363 0.000 0.943 345 H CA -0.694 55.078 56.048 -0.461 0.000 1.416 345 H CB 0.077 28.953 29.762 -1.476 0.000 1.434 345 H HN 0.379 nan 8.280 nan 0.000 0.565 346 P HA -0.139 nan 4.420 nan 0.000 0.234 346 P C 0.674 178.072 177.300 0.162 0.000 1.167 346 P CA 0.675 63.857 63.100 0.137 0.000 0.763 346 P CB -0.042 31.765 31.700 0.179 0.000 0.835 347 W N -0.024 121.404 121.300 0.212 0.000 2.519 347 W HA 0.032 4.693 4.660 0.002 0.000 0.266 347 W C 1.429 178.015 176.519 0.112 0.000 1.253 347 W CA 0.566 57.991 57.345 0.134 0.000 1.274 347 W CB -1.709 27.814 29.460 0.105 0.000 1.114 347 W HN -0.039 nan 8.180 nan 0.000 0.596 348 Q N 1.227 121.040 119.800 0.021 0.000 2.436 348 Q HA 0.027 4.368 4.340 0.002 0.000 0.209 348 Q C 0.830 176.854 176.000 0.041 0.000 0.965 348 Q CA 0.802 56.648 55.803 0.072 0.000 0.910 348 Q CB -0.276 28.489 28.738 0.046 0.000 0.980 348 Q HN 0.612 nan 8.270 nan 0.000 0.491 349 I N -2.675 117.926 120.570 0.052 0.000 2.607 349 I HA 0.442 4.613 4.170 0.002 0.000 0.305 349 I C -0.192 175.950 176.117 0.041 0.000 0.995 349 I CA -1.260 60.037 61.300 -0.005 0.000 1.148 349 I CB 1.587 39.593 38.000 0.011 0.000 1.323 349 I HN -0.256 nan 8.210 nan 0.000 0.461 350 R N 2.081 122.579 120.500 -0.003 0.000 2.580 350 R HA 0.241 4.582 4.340 0.002 0.000 0.267 350 R C 1.242 177.575 176.300 0.056 0.000 1.125 350 R CA -0.208 55.908 56.100 0.026 0.000 1.188 350 R CB 0.872 31.163 30.300 -0.016 0.000 1.155 350 R HN 0.814 nan 8.270 nan 0.000 0.586 351 S N -0.593 115.149 115.700 0.070 0.000 2.442 351 S HA -0.126 4.345 4.470 0.002 0.000 0.236 351 S C 1.572 176.222 174.600 0.084 0.000 1.007 351 S CA 1.649 59.899 58.200 0.083 0.000 0.965 351 S CB -0.054 63.197 63.200 0.085 0.000 0.773 351 S HN 0.648 nan 8.310 nan 0.000 0.504 352 T N 0.981 115.576 114.554 0.069 0.000 3.129 352 T HA 0.195 4.546 4.350 0.002 0.000 0.251 352 T C 0.844 175.644 174.700 0.167 0.000 1.117 352 T CA 0.446 62.607 62.100 0.101 0.000 1.034 352 T CB -0.333 68.580 68.868 0.075 0.000 0.968 352 T HN 0.356 nan 8.240 nan 0.000 0.526 353 M N 0.132 119.811 119.600 0.132 0.000 2.931 353 M HA -0.138 4.343 4.480 0.002 0.000 0.190 353 M C 0.118 176.444 176.300 0.043 0.000 0.626 353 M CA 0.740 56.152 55.300 0.187 0.000 0.722 353 M CB -1.928 30.860 32.600 0.315 0.000 2.597 353 M HN 0.498 nan 8.290 nan 0.000 0.299 354 E N 1.811 121.847 120.200 -0.273 0.000 2.343 354 E HA 0.337 4.688 4.350 0.002 0.000 0.269 354 E C 0.372 176.719 176.600 -0.422 0.000 1.047 354 E CA 0.333 56.262 56.400 -0.787 0.000 0.874 354 E CB 1.108 30.323 29.700 -0.808 0.000 1.033 354 E HN 0.331 nan 8.360 nan 0.000 0.409 355 T N 1.332 115.611 114.554 -0.458 0.000 2.909 355 T HA 0.281 4.632 4.350 0.002 0.000 0.289 355 T C 0.946 175.524 174.700 -0.203 0.000 1.005 355 T CA -0.556 61.354 62.100 -0.318 0.000 1.084 355 T CB 1.498 70.156 68.868 -0.351 0.000 0.975 355 T HN 0.533 nan 8.240 nan 0.000 0.509 356 R N 1.483 121.896 120.500 -0.145 0.000 2.055 356 R HA 0.051 4.392 4.340 0.002 0.000 0.228 356 R C -0.515 175.693 176.300 -0.154 0.000 1.143 356 R CA 1.096 57.127 56.100 -0.115 0.000 0.945 356 R CB -1.518 28.748 30.300 -0.057 0.000 0.841 356 R HN 0.538 nan 8.270 nan 0.000 0.429 357 P HA -0.115 nan 4.420 nan 0.000 0.217 357 P C -0.170 177.038 177.300 -0.154 0.000 1.148 357 P CA 1.124 64.023 63.100 -0.334 0.000 0.828 357 P CB 0.297 31.463 31.700 -0.889 0.000 0.783 358 V N -1.089 118.782 119.914 -0.072 0.000 2.655 358 V HA 0.269 4.390 4.120 0.002 0.000 0.301 358 V C -0.730 175.350 176.094 -0.022 0.000 1.082 358 V CA -1.140 61.168 62.300 0.014 0.000 0.899 358 V CB 1.802 33.704 31.823 0.131 0.000 1.014 358 V HN -0.118 nan 8.190 nan 0.000 0.429 359 E N 5.188 125.383 120.200 -0.009 0.000 2.418 359 E HA 0.187 4.538 4.350 0.002 0.000 0.261 359 E C 0.626 177.241 176.600 0.025 0.000 1.070 359 E CA 0.605 56.987 56.400 -0.030 0.000 0.931 359 E CB 0.332 30.036 29.700 0.007 0.000 0.954 359 E HN 0.878 nan 8.360 nan 0.000 0.439 360 N N 0.597 119.285 118.700 -0.021 0.000 2.863 360 N HA -0.240 4.501 4.740 0.002 0.000 0.245 360 N C -0.893 174.671 175.510 0.090 0.000 1.001 360 N CA 0.763 53.900 53.050 0.145 0.000 0.901 360 N CB -1.149 37.488 38.487 0.251 0.000 1.124 360 N HN 0.330 nan 8.380 nan 0.000 0.582 361 L N 1.046 122.211 121.223 -0.096 0.000 2.280 361 L HA 0.558 4.899 4.340 0.002 0.000 0.287 361 L C -0.771 175.987 176.870 -0.186 0.000 1.023 361 L CA -0.427 54.359 54.840 -0.090 0.000 0.819 361 L CB 0.465 42.496 42.059 -0.045 0.000 1.212 361 L HN -0.049 nan 8.230 nan 0.000 0.420 362 F N 4.578 124.498 119.950 -0.051 0.000 2.492 362 F HA 0.568 5.096 4.527 0.002 0.000 0.327 362 F C -0.385 175.590 175.800 0.292 0.000 1.079 362 F CA -0.539 57.480 58.000 0.032 0.000 0.967 362 F CB 1.371 40.385 39.000 0.022 0.000 1.169 362 F HN 0.152 nan 8.300 nan 0.000 0.472 363 F N 1.763 121.785 119.950 0.121 0.000 2.482 363 F HA 0.747 5.275 4.527 0.002 0.000 0.331 363 F C -0.033 175.840 175.800 0.122 0.000 1.115 363 F CA -1.865 56.178 58.000 0.071 0.000 0.955 363 F CB 1.392 40.411 39.000 0.032 0.000 1.136 363 F HN 0.504 nan 8.300 nan 0.000 0.452 364 A N 2.026 124.999 122.820 0.254 0.000 2.427 364 A HA 0.859 5.180 4.320 0.002 0.000 0.298 364 A C 0.013 177.684 177.584 0.144 0.000 1.036 364 A CA 0.033 52.185 52.037 0.191 0.000 0.701 364 A CB 1.391 20.486 19.000 0.159 0.000 1.250 364 A HN 1.559 nan 8.150 nan 0.000 0.412 365 G N 0.735 109.626 108.800 0.151 0.000 2.416 365 G HA2 -0.017 3.944 3.960 0.002 0.000 0.203 365 G HA3 -0.017 3.944 3.960 0.002 0.000 0.203 365 G C 0.616 175.590 174.900 0.124 0.000 1.227 365 G CA 0.567 45.745 45.100 0.129 0.000 1.041 365 G HN 1.185 nan 8.290 nan 0.000 0.546 366 Q N -0.360 119.492 119.800 0.087 0.000 2.291 366 Q HA 0.161 4.502 4.340 0.002 0.000 0.206 366 Q C 2.485 178.587 176.000 0.170 0.000 0.976 366 Q CA 2.028 57.872 55.803 0.069 0.000 0.875 366 Q CB -0.245 28.441 28.738 -0.088 0.000 0.927 366 Q HN 0.580 nan 8.270 nan 0.000 0.450 367 I N 0.154 120.817 120.570 0.155 0.000 2.614 367 I HA -0.204 3.967 4.170 0.002 0.000 0.258 367 I C 0.439 176.737 176.117 0.300 0.000 1.189 367 I CA 0.697 62.116 61.300 0.199 0.000 1.462 367 I CB 0.076 38.110 38.000 0.057 0.000 1.092 367 I HN 0.216 nan 8.210 nan 0.000 0.442 368 N N 1.164 120.028 118.700 0.275 0.000 2.313 368 N HA 0.105 4.846 4.740 0.002 0.000 0.207 368 N C 1.024 176.677 175.510 0.238 0.000 1.141 368 N CA 0.851 54.088 53.050 0.311 0.000 0.830 368 N CB 0.460 39.108 38.487 0.268 0.000 1.008 368 N HN 0.395 nan 8.380 nan 0.000 0.481 369 G N 0.773 109.674 108.800 0.168 0.000 2.198 369 G HA2 -0.283 3.678 3.960 0.002 0.000 0.260 369 G HA3 -0.283 3.678 3.960 0.002 0.000 0.260 369 G C 0.302 175.182 174.900 -0.033 0.000 1.025 369 G CA 1.062 46.070 45.100 -0.154 0.000 0.769 369 G HN 0.493 nan 8.290 nan 0.000 0.507 370 T N -1.028 113.578 114.554 0.088 0.000 2.936 370 T HA 0.764 5.115 4.350 0.002 0.000 0.282 370 T C 0.396 175.134 174.700 0.064 0.000 1.003 370 T CA 0.702 62.870 62.100 0.113 0.000 1.005 370 T CB 1.616 70.578 68.868 0.157 0.000 1.097 370 T HN 1.614 nan 8.240 nan 0.000 0.532 371 S N 0.614 116.328 115.700 0.023 0.000 2.541 371 S HA 0.839 5.310 4.470 0.002 0.000 0.280 371 S C -0.235 174.305 174.600 -0.100 0.000 1.112 371 S CA 0.068 58.245 58.200 -0.039 0.000 0.925 371 S CB 1.185 64.361 63.200 -0.041 0.000 1.067 371 S HN 1.887 nan 8.310 nan 0.000 0.479 372 G N 1.684 110.373 108.800 -0.185 0.000 2.379 372 G HA2 0.179 4.140 3.960 0.002 0.000 0.609 372 G HA3 0.179 4.140 3.960 0.002 0.000 0.609 372 G C -0.573 174.169 174.900 -0.264 0.000 1.484 372 G CA -0.488 44.433 45.100 -0.299 0.000 0.921 372 G HN 0.653 nan 8.290 nan 0.000 0.658 373 Y N 0.698 120.834 120.300 -0.273 0.000 2.184 373 Y HA 0.051 4.603 4.550 0.004 0.000 0.290 373 Y C 2.751 178.526 175.900 -0.208 0.000 1.129 373 Y CA 1.945 59.773 58.100 -0.454 0.000 1.144 373 Y CB -0.526 37.424 38.460 -0.850 0.000 0.995 373 Y HN 0.692 nan 8.280 nan 0.000 0.513 374 E N 0.534 120.726 120.200 -0.013 0.000 2.077 374 E HA -0.187 4.164 4.350 0.002 0.000 0.193 374 E C 1.951 178.583 176.600 0.054 0.000 0.989 374 E CA 1.584 58.002 56.400 0.030 0.000 0.800 374 E CB -0.301 29.405 29.700 0.010 0.000 0.746 374 E HN 0.446 nan 8.360 nan 0.000 0.452 375 E N 0.524 120.739 120.200 0.026 0.000 2.058 375 E HA -0.195 4.156 4.350 0.002 0.000 0.194 375 E C 1.959 178.616 176.600 0.096 0.000 0.997 375 E CA 1.509 57.947 56.400 0.063 0.000 0.801 375 E CB -0.300 29.421 29.700 0.036 0.000 0.746 375 E HN 0.329 nan 8.360 nan 0.000 0.450 376 A N 0.747 123.620 122.820 0.089 0.000 1.897 376 A HA 0.008 4.329 4.320 0.002 0.000 0.215 376 A C 2.347 180.020 177.584 0.150 0.000 1.181 376 A CA 1.587 53.700 52.037 0.127 0.000 0.620 376 A CB -0.775 18.312 19.000 0.144 0.000 0.821 376 A HN 0.285 nan 8.150 nan 0.000 0.443 377 A N 0.062 122.977 122.820 0.158 0.000 1.902 377 A HA 0.138 4.458 4.320 0.002 0.000 0.217 377 A C 2.503 180.167 177.584 0.135 0.000 1.181 377 A CA 2.129 54.265 52.037 0.166 0.000 0.623 377 A CB -1.056 18.050 19.000 0.176 0.000 0.818 377 A HN 1.069 nan 8.150 nan 0.000 0.443 378 A N -0.809 122.087 122.820 0.127 0.000 1.940 378 A HA -0.230 4.091 4.320 0.002 0.000 0.219 378 A C 2.126 179.785 177.584 0.125 0.000 1.176 378 A CA 1.788 53.900 52.037 0.125 0.000 0.631 378 A CB -0.532 18.546 19.000 0.130 0.000 0.814 378 A HN 0.675 nan 8.150 nan 0.000 0.446 379 Q N -0.935 118.944 119.800 0.133 0.000 2.049 379 Q HA -0.050 4.291 4.340 0.002 0.000 0.198 379 Q C 2.287 178.364 176.000 0.128 0.000 0.971 379 Q CA 1.084 56.971 55.803 0.140 0.000 0.833 379 Q CB -0.465 28.366 28.738 0.156 0.000 0.896 379 Q HN 0.670 nan 8.270 nan 0.000 0.434 380 G N 1.269 110.140 108.800 0.119 0.000 2.469 380 G HA2 -0.278 3.683 3.960 0.002 0.000 0.219 380 G HA3 -0.278 3.683 3.960 0.002 0.000 0.219 380 G C 1.380 176.319 174.900 0.066 0.000 1.150 380 G CA 0.532 45.688 45.100 0.092 0.000 0.763 380 G HN 0.234 nan 8.290 nan 0.000 0.561 381 L N -0.238 121.031 121.223 0.077 0.000 1.989 381 L HA -0.112 4.229 4.340 0.002 0.000 0.211 381 L C 3.054 179.953 176.870 0.049 0.000 1.071 381 L CA 1.317 56.194 54.840 0.062 0.000 0.749 381 L CB -0.182 41.925 42.059 0.080 0.000 0.890 381 L HN 0.181 nan 8.230 nan 0.000 0.431 382 M N -0.672 118.972 119.600 0.073 0.000 2.099 382 M HA -0.151 4.330 4.480 0.002 0.000 0.262 382 M C 2.539 178.876 176.300 0.061 0.000 1.067 382 M CA 1.880 57.226 55.300 0.077 0.000 1.124 382 M CB -1.675 30.990 32.600 0.107 0.000 1.353 382 M HN 0.329 nan 8.290 nan 0.000 0.410 383 A N 0.541 123.410 122.820 0.081 0.000 1.948 383 A HA -0.081 4.240 4.320 0.002 0.000 0.220 383 A C 2.456 179.906 177.584 -0.224 0.000 1.177 383 A CA 2.219 54.280 52.037 0.040 0.000 0.636 383 A CB -1.518 17.557 19.000 0.125 0.000 0.815 383 A HN 0.535 nan 8.150 nan 0.000 0.449 384 G N 0.038 108.762 108.800 -0.128 0.000 2.453 384 G HA2 -0.192 3.769 3.960 0.002 0.000 0.215 384 G HA3 -0.192 3.769 3.960 0.002 0.000 0.215 384 G C 1.531 176.334 174.900 -0.163 0.000 1.201 384 G CA 1.092 46.097 45.100 -0.158 0.000 0.784 384 G HN 0.471 nan 8.290 nan 0.000 0.545 385 I N 1.337 121.858 120.570 -0.082 0.000 2.145 385 I HA -0.265 3.906 4.170 0.002 0.000 0.244 385 I C 2.426 178.500 176.117 -0.072 0.000 1.075 385 I CA 1.332 62.600 61.300 -0.054 0.000 1.332 385 I CB -0.262 37.734 38.000 -0.006 0.000 1.033 385 I HN 0.103 nan 8.210 nan 0.000 0.410 386 N N 0.815 119.470 118.700 -0.076 0.000 2.381 386 N HA -0.067 4.674 4.740 0.002 0.000 0.182 386 N C 1.802 177.222 175.510 -0.150 0.000 1.025 386 N CA 1.318 54.364 53.050 -0.007 0.000 0.888 386 N CB -0.290 38.324 38.487 0.213 0.000 0.965 386 N HN 0.392 nan 8.380 nan 0.000 0.438 387 A N 0.615 123.095 122.820 -0.566 0.000 1.930 387 A HA -0.045 4.276 4.320 0.002 0.000 0.217 387 A C 2.402 179.878 177.584 -0.180 0.000 1.175 387 A CA 1.057 52.741 52.037 -0.589 0.000 0.627 387 A CB -0.549 18.009 19.000 -0.737 0.000 0.815 387 A HN 0.090 nan 8.150 nan 0.000 0.443 388 V N 0.268 120.102 119.914 -0.133 0.000 2.307 388 V HA -0.226 3.895 4.120 0.002 0.000 0.245 388 V C 2.640 178.725 176.094 -0.015 0.000 1.045 388 V CA 1.903 64.170 62.300 -0.054 0.000 1.024 388 V CB -0.875 30.919 31.823 -0.049 0.000 0.651 388 V HN 0.447 nan 8.190 nan 0.000 0.449 389 R N 0.431 120.926 120.500 -0.008 0.000 2.105 389 R HA -0.184 4.157 4.340 0.002 0.000 0.239 389 R C 2.309 178.639 176.300 0.050 0.000 1.135 389 R CA 1.626 57.740 56.100 0.023 0.000 0.967 389 R CB -0.492 29.829 30.300 0.034 0.000 0.861 389 R HN 0.436 nan 8.270 nan 0.000 0.442 390 K N 0.991 121.441 120.400 0.082 0.000 2.025 390 K HA -0.026 4.295 4.320 0.002 0.000 0.207 390 K C 2.060 178.711 176.600 0.085 0.000 1.049 390 K CA 1.074 57.430 56.287 0.115 0.000 0.933 390 K CB -0.227 32.405 32.500 0.220 0.000 0.714 390 K HN 0.062 nan 8.250 nan 0.000 0.438 391 I N 0.260 120.872 120.570 0.070 0.000 2.226 391 I HA -0.238 3.933 4.170 0.002 0.000 0.245 391 I C 1.625 177.768 176.117 0.044 0.000 1.100 391 I CA 0.621 61.956 61.300 0.058 0.000 1.374 391 I CB -0.163 37.867 38.000 0.050 0.000 1.057 391 I HN 0.119 nan 8.210 nan 0.000 0.413 392 L N 0.489 121.733 121.223 0.034 0.000 2.201 392 L HA 0.012 4.353 4.340 0.002 0.000 0.212 392 L C 1.775 178.662 176.870 0.030 0.000 1.105 392 L CA 1.589 56.446 54.840 0.027 0.000 0.775 392 L CB -1.273 40.796 42.059 0.017 0.000 0.913 392 L HN 0.468 nan 8.230 nan 0.000 0.440 393 G N -0.803 108.019 108.800 0.037 0.000 2.136 393 G HA2 -0.322 3.639 3.960 0.002 0.000 0.242 393 G HA3 -0.322 3.639 3.960 0.002 0.000 0.242 393 G C 0.635 175.554 174.900 0.031 0.000 0.989 393 G CA 0.562 45.684 45.100 0.036 0.000 0.682 393 G HN 0.351 nan 8.290 nan 0.000 0.522 394 K N 0.216 120.634 120.400 0.030 0.000 2.362 394 K HA 0.482 4.803 4.320 0.002 0.000 0.245 394 K C 0.542 177.161 176.600 0.031 0.000 1.040 394 K CA -0.491 55.812 56.287 0.026 0.000 0.961 394 K CB 0.360 32.871 32.500 0.019 0.000 1.252 394 K HN 0.301 nan 8.250 nan 0.000 0.503 395 E N 1.310 121.526 120.200 0.028 0.000 2.344 395 E HA 0.082 4.433 4.350 0.002 0.000 0.270 395 E C -0.561 176.062 176.600 0.037 0.000 1.021 395 E CA -0.017 56.401 56.400 0.029 0.000 0.887 395 E CB 0.387 30.101 29.700 0.024 0.000 0.997 395 E HN 0.271 nan 8.360 nan 0.000 0.429 396 L N 2.822 124.072 121.223 0.045 0.000 2.436 396 L HA 0.271 4.612 4.340 0.002 0.000 0.265 396 L C -0.029 176.872 176.870 0.051 0.000 1.168 396 L CA -0.613 54.265 54.840 0.063 0.000 0.815 396 L CB 0.309 42.420 42.059 0.086 0.000 1.109 396 L HN 0.472 nan 8.230 nan 0.000 0.462 397 I N 1.909 122.516 120.570 0.061 0.000 2.339 397 I HA 0.288 4.459 4.170 0.002 0.000 0.290 397 I C -0.303 175.851 176.117 0.061 0.000 0.994 397 I CA -0.091 61.242 61.300 0.054 0.000 1.191 397 I CB 1.710 39.741 38.000 0.051 0.000 1.343 397 I HN 0.110 nan 8.210 nan 0.000 0.458 398 V N 7.256 127.200 119.914 0.050 0.000 2.487 398 V HA 0.440 4.561 4.120 0.002 0.000 0.298 398 V C -0.003 176.122 176.094 0.051 0.000 1.028 398 V CA -0.750 61.582 62.300 0.054 0.000 0.860 398 V CB 1.730 33.579 31.823 0.042 0.000 0.991 398 V HN 0.448 nan 8.190 nan 0.000 0.427 399 L N 3.805 125.063 121.223 0.058 0.000 2.350 399 L HA 0.634 4.975 4.340 0.002 0.000 0.275 399 L C 1.075 177.969 176.870 0.039 0.000 1.099 399 L CA -0.023 54.848 54.840 0.052 0.000 0.808 399 L CB 1.021 43.119 42.059 0.065 0.000 1.149 399 L HN 0.775 nan 8.230 nan 0.000 0.442 400 G N 1.299 110.114 108.800 0.025 0.000 2.476 400 G HA2 0.290 4.251 3.960 0.002 0.000 0.286 400 G HA3 0.290 4.251 3.960 0.002 0.000 0.286 400 G C 0.570 175.448 174.900 -0.036 0.000 1.177 400 G CA -0.588 44.513 45.100 0.002 0.000 0.870 400 G HN 0.737 nan 8.290 nan 0.000 0.528 401 R N -0.060 120.386 120.500 -0.091 0.000 2.316 401 R HA -0.017 4.324 4.340 0.002 0.000 0.202 401 R C 0.970 177.083 176.300 -0.310 0.000 1.029 401 R CA 1.177 57.158 56.100 -0.199 0.000 1.018 401 R CB 0.223 30.368 30.300 -0.258 0.000 0.888 401 R HN 0.675 nan 8.270 nan 0.000 0.471 402 D N -0.467 119.826 120.400 -0.179 0.000 2.379 402 D HA -0.065 4.576 4.640 0.002 0.000 0.208 402 D C 1.422 177.720 176.300 -0.003 0.000 1.065 402 D CA 0.258 54.213 54.000 -0.076 0.000 0.848 402 D CB 0.130 40.940 40.800 0.016 0.000 0.949 402 D HN 0.173 nan 8.370 nan 0.000 0.509 403 Q N 0.024 119.819 119.800 -0.008 0.000 2.226 403 Q HA 0.389 4.730 4.340 0.002 0.000 0.199 403 Q C 0.330 176.363 176.000 0.055 0.000 0.945 403 Q CA 0.780 56.602 55.803 0.030 0.000 0.861 403 Q CB 0.709 29.467 28.738 0.034 0.000 0.953 403 Q HN 0.301 nan 8.270 nan 0.000 0.490 404 A N -1.404 121.445 122.820 0.048 0.000 2.604 404 A HA 0.360 4.681 4.320 0.002 0.000 0.295 404 A C -0.970 176.675 177.584 0.102 0.000 1.067 404 A CA -0.650 51.458 52.037 0.117 0.000 0.683 404 A CB 0.061 19.142 19.000 0.134 0.000 1.281 404 A HN 0.223 nan 8.150 nan 0.000 0.407 405 Y N 0.854 121.197 120.300 0.072 0.000 2.256 405 Y HA -0.186 4.366 4.550 0.003 0.000 0.288 405 Y C 2.008 177.960 175.900 0.086 0.000 1.155 405 Y CA 2.314 60.460 58.100 0.077 0.000 1.203 405 Y CB -0.255 38.255 38.460 0.084 0.000 0.980 405 Y HN 0.653 nan 8.280 nan 0.000 0.530 406 I N -0.942 119.771 120.570 0.239 0.000 2.286 406 I HA -0.249 3.922 4.170 0.002 0.000 0.248 406 I C 2.622 178.818 176.117 0.132 0.000 1.115 406 I CA 1.329 62.735 61.300 0.176 0.000 1.392 406 I CB -0.787 37.305 38.000 0.154 0.000 1.065 406 I HN 0.250 nan 8.210 nan 0.000 0.418 407 G N 0.578 109.436 108.800 0.097 0.000 2.404 407 G HA2 -0.157 3.804 3.960 0.002 0.000 0.215 407 G HA3 -0.157 3.804 3.960 0.002 0.000 0.215 407 G C 1.714 176.638 174.900 0.040 0.000 1.174 407 G CA 0.760 45.895 45.100 0.058 0.000 0.780 407 G HN 0.220 nan 8.290 nan 0.000 0.537 408 V N 0.969 120.893 119.914 0.016 0.000 2.287 408 V HA -0.169 3.952 4.120 0.002 0.000 0.248 408 V C 2.685 178.832 176.094 0.088 0.000 1.053 408 V CA 1.766 64.070 62.300 0.006 0.000 1.027 408 V CB -0.599 31.191 31.823 -0.054 0.000 0.646 408 V HN 0.400 nan 8.190 nan 0.000 0.447 409 L N -0.452 120.868 121.223 0.162 0.000 1.970 409 L HA -0.224 4.117 4.340 0.002 0.000 0.212 409 L C 2.335 179.302 176.870 0.161 0.000 1.071 409 L CA 2.046 57.037 54.840 0.251 0.000 0.751 409 L CB -0.246 41.967 42.059 0.256 0.000 0.889 409 L HN 0.217 nan 8.230 nan 0.000 0.432 410 I N -0.239 120.408 120.570 0.128 0.000 2.361 410 I HA -0.293 3.878 4.170 0.002 0.000 0.251 410 I C 2.044 178.203 176.117 0.070 0.000 1.133 410 I CA 1.503 62.867 61.300 0.106 0.000 1.413 410 I CB -0.353 37.714 38.000 0.111 0.000 1.073 410 I HN 0.418 nan 8.210 nan 0.000 0.424 411 D N 0.983 121.414 120.400 0.051 0.000 2.097 411 D HA -0.200 4.441 4.640 0.002 0.000 0.197 411 D C 1.712 178.003 176.300 -0.016 0.000 0.984 411 D CA 1.377 55.394 54.000 0.028 0.000 0.826 411 D CB 0.033 40.843 40.800 0.017 0.000 0.973 411 D HN 0.138 nan 8.370 nan 0.000 0.460 412 D N -0.184 120.179 120.400 -0.061 0.000 2.178 412 D HA -0.111 4.530 4.640 0.002 0.000 0.201 412 D C 2.055 178.177 176.300 -0.297 0.000 0.980 412 D CA 0.249 54.129 54.000 -0.200 0.000 0.842 412 D CB -0.164 40.466 40.800 -0.283 0.000 0.948 412 D HN 0.233 nan 8.370 nan 0.000 0.472 413 L N 0.725 121.828 121.223 -0.200 0.000 1.961 413 L HA -0.146 4.195 4.340 0.002 0.000 0.210 413 L C 2.346 179.216 176.870 -0.001 0.000 1.072 413 L CA 1.413 56.184 54.840 -0.115 0.000 0.749 413 L CB -0.431 41.649 42.059 0.036 0.000 0.889 413 L HN 0.104 nan 8.230 nan 0.000 0.432 414 I N -3.623 116.980 120.570 0.055 0.000 2.567 414 I HA -0.192 3.979 4.170 0.002 0.000 0.257 414 I C 2.009 178.199 176.117 0.122 0.000 1.184 414 I CA 1.306 62.678 61.300 0.119 0.000 1.451 414 I CB -0.636 37.437 38.000 0.123 0.000 1.089 414 I HN 0.173 nan 8.210 nan 0.000 0.441 415 T N 0.279 114.860 114.554 0.046 0.000 2.896 415 T HA 0.005 4.356 4.350 0.002 0.000 0.238 415 T C 0.796 175.503 174.700 0.011 0.000 1.045 415 T CA 0.260 62.374 62.100 0.023 0.000 1.248 415 T CB -0.092 68.762 68.868 -0.024 0.000 0.955 415 T HN 0.165 nan 8.240 nan 0.000 0.416 416 K N 2.856 123.218 120.400 -0.063 0.000 2.382 416 K HA 0.036 4.357 4.320 0.002 0.000 0.286 416 K C -0.637 175.964 176.600 0.002 0.000 1.062 416 K CA 0.098 56.346 56.287 -0.065 0.000 1.000 416 K CB 0.252 32.668 32.500 -0.139 0.000 0.954 416 K HN 0.095 nan 8.250 nan 0.000 0.470 417 E N 3.481 123.734 120.200 0.088 0.000 2.081 417 E HA 0.183 4.534 4.350 0.002 0.000 0.276 417 E C -1.358 175.332 176.600 0.150 0.000 0.950 417 E CA -0.310 56.200 56.400 0.185 0.000 0.776 417 E CB 1.531 31.423 29.700 0.320 0.000 1.094 417 E HN 0.430 nan 8.360 nan 0.000 0.402 418 T N 3.276 117.910 114.554 0.134 0.000 2.923 418 T HA 0.264 4.615 4.350 0.002 0.000 0.311 418 T C 0.472 175.223 174.700 0.086 0.000 1.183 418 T CA -0.650 61.510 62.100 0.101 0.000 1.020 418 T CB 1.034 69.942 68.868 0.068 0.000 1.165 418 T HN 0.535 nan 8.240 nan 0.000 0.482 419 K N 0.885 121.327 120.400 0.071 0.000 2.520 419 K HA -0.037 4.284 4.320 0.002 0.000 0.197 419 K C 0.529 177.111 176.600 -0.029 0.000 1.044 419 K CA 0.956 57.269 56.287 0.043 0.000 0.938 419 K CB 0.158 32.676 32.500 0.030 0.000 0.767 419 K HN 0.528 nan 8.250 nan 0.000 0.481 420 E N 0.532 120.715 120.200 -0.028 0.000 2.227 420 E HA 0.221 4.572 4.350 0.002 0.000 0.268 420 E C -2.598 173.969 176.600 -0.054 0.000 0.907 420 E CA -2.770 53.603 56.400 -0.046 0.000 0.786 420 E CB 1.514 31.213 29.700 -0.001 0.000 1.191 420 E HN -0.153 nan 8.360 nan 0.000 0.411 421 P HA -0.070 nan 4.420 nan 0.000 0.268 421 P C -1.210 176.131 177.300 0.068 0.000 1.204 421 P CA 0.270 63.348 63.100 -0.037 0.000 0.768 421 P CB 0.121 31.812 31.700 -0.016 0.000 0.842 422 Y N 4.285 124.568 120.300 -0.028 0.000 2.480 422 Y HA 0.138 4.689 4.550 0.002 0.000 0.341 422 Y C 0.681 176.598 175.900 0.028 0.000 1.031 422 Y CA -0.121 57.981 58.100 0.005 0.000 1.295 422 Y CB 0.488 38.958 38.460 0.017 0.000 1.162 422 Y HN 0.265 nan 8.280 nan 0.000 0.523 423 R N 5.866 126.122 120.500 -0.407 0.000 2.604 423 R HA 0.263 4.603 4.340 0.002 0.000 0.287 423 R C 0.600 176.552 176.300 -0.580 0.000 0.970 423 R CA -0.915 54.988 56.100 -0.328 0.000 0.946 423 R CB 1.325 31.651 30.300 0.043 0.000 1.127 423 R HN 0.759 nan 8.270 nan 0.000 0.473 424 M N 2.033 121.442 119.600 -0.318 0.000 2.492 424 M HA -0.028 4.453 4.480 0.002 0.000 0.262 424 M C 1.712 177.971 176.300 -0.069 0.000 1.090 424 M CA 1.139 56.312 55.300 -0.212 0.000 1.110 424 M CB -0.431 32.146 32.600 -0.038 0.000 1.407 424 M HN 0.632 nan 8.290 nan 0.000 0.470 425 F N 0.326 120.198 119.950 -0.130 0.000 2.075 425 F HA -0.173 4.355 4.527 0.002 0.000 0.297 425 F C 2.371 178.148 175.800 -0.039 0.000 1.113 425 F CA 1.977 59.935 58.000 -0.070 0.000 1.218 425 F CB -1.395 37.560 39.000 -0.074 0.000 0.984 425 F HN 0.040 nan 8.300 nan 0.000 0.472 426 T N -0.108 113.686 114.554 -1.267 0.000 2.881 426 T HA -0.138 4.213 4.350 0.002 0.000 0.270 426 T C 1.204 175.706 174.700 -0.331 0.000 1.068 426 T CA 0.921 62.496 62.100 -0.875 0.000 1.131 426 T CB -0.865 67.484 68.868 -0.865 0.000 0.871 426 T HN 0.374 nan 8.240 nan 0.000 0.479 427 S N 1.509 117.069 115.700 -0.234 0.000 2.643 427 S HA 0.069 4.540 4.470 0.002 0.000 0.329 427 S C 0.444 175.045 174.600 0.002 0.000 1.193 427 S CA -0.263 57.913 58.200 -0.040 0.000 1.293 427 S CB -0.366 62.844 63.200 0.016 0.000 1.205 427 S HN 0.335 nan 8.310 nan 0.000 0.550 428 S N 5.000 120.701 115.700 0.002 0.000 2.945 428 S HA 0.346 4.817 4.470 0.002 0.000 0.227 428 S C 0.635 175.257 174.600 0.037 0.000 1.353 428 S CA -0.218 57.995 58.200 0.022 0.000 1.236 428 S CB -0.359 62.844 63.200 0.004 0.000 1.069 428 S HN 0.960 nan 8.310 nan 0.000 0.509 429 A N 2.192 125.034 122.820 0.038 0.000 2.519 429 A HA -0.051 4.270 4.320 0.002 0.000 0.275 429 A C 1.417 179.025 177.584 0.040 0.000 1.082 429 A CA 0.126 52.167 52.037 0.007 0.000 0.841 429 A CB -0.353 18.561 19.000 -0.142 0.000 0.984 429 A HN 0.827 nan 8.150 nan 0.000 0.531 430 E N 2.045 122.291 120.200 0.076 0.000 2.273 430 E HA -0.211 4.140 4.350 0.002 0.000 0.198 430 E C 0.101 176.696 176.600 -0.009 0.000 1.002 430 E CA 1.459 57.882 56.400 0.039 0.000 0.828 430 E CB -0.350 29.362 29.700 0.020 0.000 0.747 430 E HN 0.839 nan 8.360 nan 0.000 0.491 431 H N 1.028 120.066 119.070 -0.053 0.000 3.109 431 H HA 0.239 4.796 4.556 0.002 0.000 0.266 431 H C 0.529 175.816 175.328 -0.069 0.000 1.334 431 H CA -0.144 55.870 56.048 -0.057 0.000 1.456 431 H CB 0.574 30.287 29.762 -0.081 0.000 1.587 431 H HN 0.197 nan 8.280 nan 0.000 0.500 432 R N 1.473 122.001 120.500 0.046 0.000 2.125 432 R HA 0.079 4.420 4.340 0.002 0.000 0.195 432 R C 2.110 178.446 176.300 0.061 0.000 1.138 432 R CA -0.065 56.074 56.100 0.065 0.000 1.123 432 R CB 0.184 30.509 30.300 0.043 0.000 1.049 432 R HN 0.319 nan 8.270 nan 0.000 0.503 433 L N 1.674 122.906 121.223 0.015 0.000 2.093 433 L HA -0.102 4.239 4.340 0.002 0.000 0.208 433 L C 2.334 179.212 176.870 0.013 0.000 1.085 433 L CA 1.304 56.131 54.840 -0.022 0.000 0.755 433 L CB -0.319 41.719 42.059 -0.036 0.000 0.904 433 L HN 0.275 nan 8.230 nan 0.000 0.435 434 I N -3.262 117.336 120.570 0.046 0.000 3.001 434 I HA -0.163 4.008 4.170 0.002 0.000 0.268 434 I C 1.496 177.663 176.117 0.083 0.000 1.267 434 I CA 1.187 62.525 61.300 0.062 0.000 1.472 434 I CB -0.193 37.854 38.000 0.079 0.000 1.089 434 I HN 0.126 nan 8.210 nan 0.000 0.468 435 L N 2.018 123.309 121.223 0.114 0.000 2.959 435 L HA 0.316 4.657 4.340 0.002 0.000 0.259 435 L C 0.789 177.830 176.870 0.286 0.000 1.185 435 L CA -0.475 54.482 54.840 0.194 0.000 0.998 435 L CB -0.184 41.961 42.059 0.143 0.000 1.337 435 L HN 0.300 nan 8.230 nan 0.000 0.555 436 R N -0.137 120.453 120.500 0.150 0.000 2.811 436 R HA -0.071 4.270 4.340 0.002 0.000 0.265 436 R C 1.426 177.763 176.300 0.062 0.000 1.026 436 R CA 0.234 56.385 56.100 0.085 0.000 1.142 436 R CB 0.069 30.343 30.300 -0.044 0.000 1.027 436 R HN 0.308 nan 8.270 nan 0.000 0.465 437 H N 1.489 120.586 119.070 0.045 0.000 2.387 437 H HA -0.151 4.407 4.556 0.002 0.000 0.299 437 H C 0.412 175.798 175.328 0.097 0.000 1.099 437 H CA 1.915 57.976 56.048 0.021 0.000 1.315 437 H CB -0.098 29.616 29.762 -0.081 0.000 1.380 437 H HN 0.875 nan 8.280 nan 0.000 0.513 438 D N 0.540 120.608 120.400 -0.553 0.000 2.349 438 D HA -0.097 4.544 4.640 0.002 0.000 0.224 438 D C 0.809 177.135 176.300 0.044 0.000 1.029 438 D CA 0.635 54.474 54.000 -0.269 0.000 0.879 438 D CB -0.250 40.258 40.800 -0.487 0.000 0.906 438 D HN 0.610 nan 8.370 nan 0.000 0.528 439 N N -0.593 118.139 118.700 0.053 0.000 2.194 439 N HA 0.249 4.989 4.740 0.002 0.000 0.231 439 N C 1.300 176.824 175.510 0.023 0.000 1.247 439 N CA 0.133 53.200 53.050 0.028 0.000 0.884 439 N CB -0.057 38.430 38.487 0.000 0.000 1.146 439 N HN 0.110 nan 8.380 nan 0.000 0.516 440 A N 1.625 124.531 122.820 0.144 0.000 1.948 440 A HA -0.287 4.034 4.320 0.002 0.000 0.220 440 A C 1.849 179.402 177.584 -0.052 0.000 1.177 440 A CA 2.110 54.235 52.037 0.146 0.000 0.636 440 A CB -0.692 18.518 19.000 0.349 0.000 0.815 440 A HN 0.591 nan 8.150 nan 0.000 0.449 441 D N 0.710 120.847 120.400 -0.438 0.000 2.097 441 D HA -0.178 4.463 4.640 0.002 0.000 0.197 441 D C 1.866 178.001 176.300 -0.276 0.000 0.984 441 D CA 1.588 55.232 54.000 -0.594 0.000 0.826 441 D CB -0.970 39.057 40.800 -1.287 0.000 0.973 441 D HN 0.508 nan 8.370 nan 0.000 0.460 442 L N -0.114 120.980 121.223 -0.215 0.000 2.042 442 L HA -0.103 4.238 4.340 0.002 0.000 0.210 442 L C 3.002 179.840 176.870 -0.054 0.000 1.076 442 L CA 1.340 56.116 54.840 -0.107 0.000 0.749 442 L CB -0.625 41.392 42.059 -0.071 0.000 0.893 442 L HN -0.073 nan 8.230 nan 0.000 0.432 443 R N 0.248 120.729 120.500 -0.032 0.000 2.075 443 R HA -0.058 4.283 4.340 0.002 0.000 0.232 443 R C 2.058 178.365 176.300 0.013 0.000 1.126 443 R CA 1.279 57.383 56.100 0.007 0.000 0.963 443 R CB -0.178 30.145 30.300 0.037 0.000 0.858 443 R HN 0.354 nan 8.270 nan 0.000 0.435 444 L N -1.338 119.889 121.223 0.006 0.000 2.672 444 L HA 0.214 4.555 4.340 0.002 0.000 0.236 444 L C 2.081 178.963 176.870 0.020 0.000 1.092 444 L CA -0.162 54.695 54.840 0.029 0.000 0.887 444 L CB 0.081 42.175 42.059 0.059 0.000 1.168 444 L HN -0.107 nan 8.230 nan 0.000 0.502 445 R N 1.282 121.772 120.500 -0.017 0.000 2.103 445 R HA -0.201 4.140 4.340 0.002 0.000 0.242 445 R C 2.190 178.506 176.300 0.026 0.000 1.142 445 R CA 1.711 57.803 56.100 -0.013 0.000 0.960 445 R CB -0.198 30.063 30.300 -0.066 0.000 0.858 445 R HN 0.155 nan 8.270 nan 0.000 0.439 446 K N -0.180 120.232 120.400 0.020 0.000 2.057 446 K HA -0.081 4.240 4.320 0.002 0.000 0.207 446 K C 1.886 178.543 176.600 0.096 0.000 1.049 446 K CA 1.630 57.946 56.287 0.048 0.000 0.931 446 K CB -0.099 32.414 32.500 0.022 0.000 0.714 446 K HN 0.179 nan 8.250 nan 0.000 0.440 447 I N 0.184 120.795 120.570 0.068 0.000 2.226 447 I HA -0.192 3.979 4.170 0.002 0.000 0.245 447 I C 2.426 178.584 176.117 0.069 0.000 1.100 447 I CA 1.315 62.655 61.300 0.067 0.000 1.374 447 I CB -0.731 37.302 38.000 0.055 0.000 1.057 447 I HN 0.305 nan 8.210 nan 0.000 0.413 448 G N 0.384 109.227 108.800 0.071 0.000 2.446 448 G HA2 -0.347 3.614 3.960 0.002 0.000 0.217 448 G HA3 -0.347 3.614 3.960 0.002 0.000 0.217 448 G C 1.643 176.583 174.900 0.068 0.000 1.168 448 G CA 0.967 46.106 45.100 0.065 0.000 0.771 448 G HN 0.376 nan 8.290 nan 0.000 0.551 449 Y N 1.894 122.182 120.300 -0.020 0.000 2.081 449 Y HA -0.201 4.349 4.550 0.001 0.000 0.280 449 Y C 2.412 178.300 175.900 -0.019 0.000 1.163 449 Y CA 2.312 60.392 58.100 -0.033 0.000 1.135 449 Y CB -0.528 37.896 38.460 -0.061 0.000 0.970 449 Y HN 0.319 nan 8.280 nan 0.000 0.498 450 D N -1.245 119.157 120.400 0.002 0.000 2.315 450 D HA -0.186 4.455 4.640 0.002 0.000 0.211 450 D C 1.221 177.450 176.300 -0.119 0.000 0.977 450 D CA 1.514 55.472 54.000 -0.070 0.000 0.894 450 D CB -0.221 40.602 40.800 0.038 0.000 0.910 450 D HN 0.363 nan 8.370 nan 0.000 0.490 451 C N -0.098 119.142 119.300 -0.100 0.000 2.778 451 C HA 0.306 4.767 4.460 0.002 0.000 0.294 451 C C 0.635 175.562 174.990 -0.104 0.000 1.331 451 C CA -0.861 58.110 59.018 -0.077 0.000 1.741 451 C CB -1.620 26.103 27.740 -0.028 0.000 2.106 451 C HN 0.299 nan 8.230 nan 0.000 0.603 452 N N 0.510 119.095 118.700 -0.191 0.000 2.721 452 N HA -0.155 4.586 4.740 0.002 0.000 0.249 452 N C 0.302 175.757 175.510 -0.092 0.000 1.072 452 N CA 0.672 53.613 53.050 -0.181 0.000 0.710 452 N CB -1.082 37.323 38.487 -0.138 0.000 0.993 452 N HN 0.613 nan 8.380 nan 0.000 0.547 453 L N -2.594 118.594 121.223 -0.059 0.000 2.749 453 L HA 0.297 4.638 4.340 0.002 0.000 0.242 453 L C 0.091 176.975 176.870 0.023 0.000 1.103 453 L CA 0.095 54.931 54.840 -0.008 0.000 0.906 453 L CB 0.526 42.591 42.059 0.010 0.000 1.228 453 L HN -0.070 nan 8.230 nan 0.000 0.517 454 V N 0.695 120.632 119.914 0.038 0.000 2.495 454 V HA 0.298 4.419 4.120 0.002 0.000 0.298 454 V C 0.391 176.556 176.094 0.119 0.000 1.031 454 V CA -0.777 61.571 62.300 0.080 0.000 0.871 454 V CB 1.745 33.625 31.823 0.095 0.000 0.988 454 V HN 0.299 nan 8.190 nan 0.000 0.432 455 S N 3.367 119.119 115.700 0.086 0.000 2.593 455 S HA 0.159 4.630 4.470 0.002 0.000 0.269 455 S C 1.248 175.890 174.600 0.069 0.000 1.334 455 S CA 0.074 58.327 58.200 0.087 0.000 1.015 455 S CB 1.209 64.442 63.200 0.055 0.000 0.912 455 S HN 0.664 nan 8.310 nan 0.000 0.541 456 S N 0.774 116.506 115.700 0.054 0.000 2.368 456 S HA -0.142 4.329 4.470 0.002 0.000 0.225 456 S C 1.545 176.088 174.600 -0.095 0.000 1.030 456 S CA 1.214 59.322 58.200 -0.153 0.000 0.999 456 S CB -0.644 62.533 63.200 -0.039 0.000 0.844 456 S HN 0.893 nan 8.310 nan 0.000 0.459 457 D N 1.034 121.454 120.400 0.033 0.000 2.218 457 D HA -0.138 4.503 4.640 0.002 0.000 0.204 457 D C 1.190 177.509 176.300 0.032 0.000 0.976 457 D CA 0.925 54.960 54.000 0.059 0.000 0.853 457 D CB -0.056 40.776 40.800 0.053 0.000 0.939 457 D HN 0.256 nan 8.370 nan 0.000 0.481 458 D N 0.150 120.556 120.400 0.011 0.000 2.107 458 D HA -0.104 4.537 4.640 0.002 0.000 0.204 458 D C 2.216 178.495 176.300 -0.035 0.000 0.978 458 D CA 0.290 54.293 54.000 0.005 0.000 0.852 458 D CB -0.488 40.327 40.800 0.025 0.000 1.008 458 D HN 0.204 nan 8.370 nan 0.000 0.458 459 L N 1.004 122.172 121.223 -0.092 0.000 1.990 459 L HA -0.231 4.110 4.340 0.002 0.000 0.213 459 L C 2.039 178.825 176.870 -0.140 0.000 1.072 459 L CA 2.051 56.791 54.840 -0.166 0.000 0.755 459 L CB -0.920 40.936 42.059 -0.339 0.000 0.889 459 L HN 0.163 nan 8.230 nan 0.000 0.432 460 H N -1.600 117.412 119.070 -0.097 0.000 2.457 460 H HA -0.119 4.438 4.556 0.001 0.000 0.294 460 H C 2.164 177.455 175.328 -0.061 0.000 1.064 460 H CA 0.933 56.928 56.048 -0.089 0.000 1.330 460 H CB 0.075 29.788 29.762 -0.082 0.000 1.395 460 H HN 0.309 nan 8.280 nan 0.000 0.541 461 R N 0.423 120.958 120.500 0.059 0.000 2.119 461 R HA -0.059 4.282 4.340 0.002 0.000 0.222 461 R C 2.218 178.515 176.300 -0.006 0.000 1.088 461 R CA 1.637 57.751 56.100 0.023 0.000 0.984 461 R CB -0.610 29.702 30.300 0.021 0.000 0.884 461 R HN 0.076 nan 8.270 nan 0.000 0.447 462 T N -0.227 114.311 114.554 -0.027 0.000 2.985 462 T HA 0.042 4.393 4.350 0.002 0.000 0.266 462 T C 1.198 175.876 174.700 -0.037 0.000 1.076 462 T CA 1.019 63.086 62.100 -0.055 0.000 1.135 462 T CB -0.086 68.724 68.868 -0.097 0.000 0.890 462 T HN 0.419 nan 8.240 nan 0.000 0.480 463 E N 0.777 120.966 120.200 -0.017 0.000 2.268 463 E HA -0.068 4.283 4.350 0.002 0.000 0.195 463 E C 2.265 178.860 176.600 -0.009 0.000 0.995 463 E CA 1.266 57.662 56.400 -0.006 0.000 0.836 463 E CB 0.032 29.744 29.700 0.020 0.000 0.763 463 E HN 0.605 nan 8.360 nan 0.000 0.491 464 S N 0.194 115.887 115.700 -0.013 0.000 2.486 464 S HA 0.020 4.491 4.470 0.002 0.000 0.220 464 S C 1.928 176.509 174.600 -0.031 0.000 1.011 464 S CA -0.147 58.035 58.200 -0.030 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 2.074 122.630 120.570 -0.022 0.000 2.439 465 I HA -0.015 4.156 4.170 0.002 0.000 0.251 465 I C 2.164 178.275 176.117 -0.010 0.000 1.139 465 I CA 1.034 62.324 61.300 -0.018 0.000 1.438 465 I CB -0.108 37.881 38.000 -0.019 0.000 1.085 465 I HN 0.487 nan 8.210 nan 0.000 0.427 466 I N -1.534 119.031 120.570 -0.010 0.000 2.353 466 I HA -0.192 3.979 4.170 0.002 0.000 0.248 466 I C 2.265 178.397 176.117 0.026 0.000 1.119 466 I CA 1.219 62.522 61.300 0.006 0.000 1.417 466 I CB -0.701 37.301 38.000 0.002 0.000 1.078 466 I HN -0.031 nan 8.210 nan 0.000 0.421 467 K N 1.238 121.647 120.400 0.015 0.000 2.103 467 K HA -0.133 4.188 4.320 0.002 0.000 0.207 467 K C 2.337 178.963 176.600 0.044 0.000 1.048 467 K CA 1.780 58.086 56.287 0.033 0.000 0.930 467 K CB -0.169 32.302 32.500 -0.049 0.000 0.716 467 K HN 0.362 nan 8.250 nan 0.000 0.444 468 R N 0.234 120.730 120.500 -0.007 0.000 2.090 468 R HA -0.055 4.286 4.340 0.002 0.000 0.228 468 R C 2.284 178.624 176.300 0.068 0.000 1.110 468 R CA 0.783 56.889 56.100 0.009 0.000 0.973 468 R CB -0.323 29.968 30.300 -0.015 0.000 0.869 468 R HN -0.031 nan 8.270 nan 0.000 0.440 469 V N 2.049 121.994 119.914 0.052 0.000 2.261 469 V HA -0.318 3.803 4.120 0.002 0.000 0.246 469 V C 2.484 178.617 176.094 0.065 0.000 1.047 469 V CA 2.249 64.579 62.300 0.050 0.000 1.015 469 V CB -0.692 31.152 31.823 0.035 0.000 0.642 469 V HN 0.469 nan 8.190 nan 0.000 0.446 470 Q N -0.548 119.297 119.800 0.076 0.000 2.124 470 Q HA -0.267 4.074 4.340 0.002 0.000 0.202 470 Q C 2.044 178.082 176.000 0.064 0.000 0.977 470 Q CA 2.331 58.172 55.803 0.063 0.000 0.850 470 Q CB -0.649 28.124 28.738 0.058 0.000 0.901 470 Q HN 0.685 nan 8.270 nan 0.000 0.429 471 H N -0.298 118.774 119.070 0.004 0.000 2.422 471 H HA -0.092 4.465 4.556 0.002 0.000 0.298 471 H C 2.011 177.341 175.328 0.004 0.000 1.098 471 H CA 1.521 57.571 56.048 0.003 0.000 1.315 471 H CB -0.241 29.521 29.762 0.001 0.000 1.382 471 H HN 0.497 nan 8.280 nan 0.000 0.523 472 C N -0.296 119.076 119.300 0.121 0.000 2.486 472 C HA 0.004 4.465 4.460 0.002 0.000 0.279 472 C C 2.536 177.549 174.990 0.038 0.000 1.302 472 C CA 0.317 59.376 59.018 0.068 0.000 1.720 472 C CB -1.162 26.612 27.740 0.056 0.000 2.030 472 C HN 0.520 nan 8.230 nan 0.000 0.490 473 L N 0.915 122.157 121.223 0.033 0.000 2.265 473 L HA -0.090 4.251 4.340 0.002 0.000 0.215 473 L C 2.651 179.521 176.870 0.000 0.000 1.117 473 L CA 1.097 55.947 54.840 0.018 0.000 0.782 473 L CB -0.685 41.385 42.059 0.019 0.000 0.914 473 L HN 0.402 nan 8.230 nan 0.000 0.441 474 E N 0.107 120.298 120.200 -0.016 0.000 2.051 474 E HA -0.165 4.186 4.350 0.002 0.000 0.192 474 E C 2.344 178.933 176.600 -0.017 0.000 0.991 474 E CA 1.285 57.663 56.400 -0.037 0.000 0.799 474 E CB -0.269 29.380 29.700 -0.086 0.000 0.748 474 E HN 0.350 nan 8.360 nan 0.000 0.449 475 V N 1.271 121.183 119.914 -0.003 0.000 2.719 475 V HA -0.138 3.982 4.120 0.002 0.000 0.252 475 V C 2.089 178.187 176.094 0.008 0.000 1.065 475 V CA 0.877 63.181 62.300 0.006 0.000 1.086 475 V CB -0.319 31.515 31.823 0.018 0.000 0.700 475 V HN 0.216 nan 8.190 nan 0.000 0.467 476 M N -0.288 119.319 119.600 0.010 0.000 2.630 476 M HA -0.026 4.455 4.480 0.002 0.000 0.254 476 M C 1.750 178.054 176.300 0.007 0.000 1.092 476 M CA 1.273 56.580 55.300 0.012 0.000 1.087 476 M CB -0.947 31.663 32.600 0.017 0.000 1.453 476 M HN 0.373 nan 8.290 nan 0.000 0.509 477 K N -1.170 119.231 120.400 0.003 0.000 2.287 477 K HA 0.101 4.422 4.320 0.002 0.000 0.199 477 K C 1.887 178.487 176.600 -0.001 0.000 1.061 477 K CA 0.954 57.240 56.287 -0.000 0.000 0.976 477 K CB 0.111 32.608 32.500 -0.004 0.000 0.898 477 K HN 0.186 nan 8.250 nan 0.000 0.492 478 T N 1.776 116.329 114.554 -0.002 0.000 2.812 478 T HA 0.021 4.372 4.350 0.002 0.000 0.264 478 T C 1.037 175.738 174.700 0.002 0.000 1.042 478 T CA 0.619 62.718 62.100 -0.002 0.000 1.140 478 T CB -0.169 68.697 68.868 -0.003 0.000 0.870 478 T HN 0.233 nan 8.240 nan 0.000 0.445 479 A N 2.853 125.676 122.820 0.005 0.000 2.540 479 A HA 0.317 4.638 4.320 0.002 0.000 0.239 479 A C 0.407 177.995 177.584 0.007 0.000 1.061 479 A CA -0.086 51.955 52.037 0.008 0.000 0.758 479 A CB -0.106 18.901 19.000 0.011 0.000 0.991 479 A HN 0.618 nan 8.150 nan 0.000 0.502 480 K N 0.656 121.060 120.400 0.008 0.000 2.259 480 K HA 0.721 5.042 4.320 0.002 0.000 0.249 480 K C -1.101 175.504 176.600 0.009 0.000 0.942 480 K CA -0.816 55.475 56.287 0.007 0.000 0.816 480 K CB 1.993 34.496 32.500 0.004 0.000 1.155 480 K HN 0.577 nan 8.250 nan 0.000 0.428 481 V N -1.460 118.459 119.914 0.008 0.000 2.488 481 V HA 0.334 4.455 4.120 0.002 0.000 0.293 481 V C -0.026 176.071 176.094 0.004 0.000 1.027 481 V CA -0.854 61.452 62.300 0.010 0.000 0.862 481 V CB 0.718 32.549 31.823 0.013 0.000 1.008 481 V HN 0.972 nan 8.190 nan 0.000 0.428 482 T N 2.028 116.585 114.554 0.005 0.000 2.898 482 T HA 0.362 4.713 4.350 0.002 0.000 0.301 482 T C -1.068 173.628 174.700 -0.006 0.000 1.049 482 T CA -1.104 60.996 62.100 0.000 0.000 1.095 482 T CB 1.236 70.105 68.868 0.002 0.000 0.976 482 T HN 0.612 nan 8.240 nan 0.000 0.539 483 P HA 0.062 nan 4.420 nan 0.000 0.239 483 P C 1.212 178.500 177.300 -0.020 0.000 1.184 483 P CA 0.449 63.539 63.100 -0.017 0.000 0.760 483 P CB -0.307 31.385 31.700 -0.014 0.000 0.884 484 A N 0.655 123.467 122.820 -0.013 0.000 1.929 484 A HA -0.139 4.182 4.320 0.002 0.000 0.216 484 A C 2.057 179.631 177.584 -0.017 0.000 1.176 484 A CA 1.413 53.444 52.037 -0.010 0.000 0.628 484 A CB -0.668 18.332 19.000 -0.000 0.000 0.816 484 A HN 0.130 nan 8.150 nan 0.000 0.444 485 E N -0.334 119.855 120.200 -0.018 0.000 2.166 485 E HA 0.102 4.453 4.350 0.002 0.000 0.192 485 E C 1.623 178.140 176.600 -0.139 0.000 0.967 485 E CA 0.959 57.345 56.400 -0.025 0.000 0.840 485 E CB -0.070 29.650 29.700 0.034 0.000 0.795 485 E HN 0.728 nan 8.360 nan 0.000 0.470 486 I N 0.180 120.678 120.570 -0.121 0.000 3.462 486 I HA 0.042 4.213 4.170 0.002 0.000 0.290 486 I C 1.481 177.512 176.117 -0.144 0.000 1.236 486 I CA 0.017 61.211 61.300 -0.177 0.000 1.418 486 I CB -0.081 37.863 38.000 -0.094 0.000 1.102 486 I HN -0.045 nan 8.210 nan 0.000 0.441 487 N N 1.596 120.240 118.700 -0.093 0.000 2.104 487 N HA -0.160 4.581 4.740 0.002 0.000 0.190 487 N C 2.041 177.508 175.510 -0.071 0.000 1.024 487 N CA 2.334 55.344 53.050 -0.067 0.000 0.853 487 N CB -0.402 38.059 38.487 -0.043 0.000 1.008 487 N HN 0.497 nan 8.380 nan 0.000 0.424 488 T N -1.043 113.459 114.554 -0.086 0.000 2.904 488 T HA -0.049 4.302 4.350 0.002 0.000 0.267 488 T C 2.042 176.689 174.700 -0.088 0.000 1.059 488 T CA 0.490 62.548 62.100 -0.070 0.000 1.137 488 T CB -0.447 68.390 68.868 -0.051 0.000 0.879 488 T HN 0.069 nan 8.240 nan 0.000 0.467 489 L N 0.840 121.963 121.223 -0.168 0.000 2.017 489 L HA 0.187 4.528 4.340 0.002 0.000 0.208 489 L C 2.321 179.144 176.870 -0.079 0.000 1.073 489 L CA 1.542 56.287 54.840 -0.158 0.000 0.745 489 L CB -0.619 41.247 42.059 -0.321 0.000 0.894 489 L HN 0.231 nan 8.230 nan 0.000 0.432 490 L N -1.473 119.703 121.223 -0.078 0.000 2.201 490 L HA -0.183 4.158 4.340 0.002 0.000 0.212 490 L C 2.578 179.429 176.870 -0.030 0.000 1.105 490 L CA 0.992 55.805 54.840 -0.045 0.000 0.775 490 L CB -0.492 41.541 42.059 -0.043 0.000 0.913 490 L HN 0.350 nan 8.230 nan 0.000 0.440 491 M N -0.181 119.399 119.600 -0.033 0.000 2.108 491 M HA -0.211 4.270 4.480 0.002 0.000 0.261 491 M C 1.926 178.218 176.300 -0.014 0.000 1.066 491 M CA 1.718 57.005 55.300 -0.021 0.000 1.107 491 M CB -0.384 32.203 32.600 -0.021 0.000 1.356 491 M HN 0.384 nan 8.290 nan 0.000 0.406 492 N N 0.096 118.788 118.700 -0.014 0.000 2.207 492 N HA -0.083 4.658 4.740 0.002 0.000 0.182 492 N C 1.428 176.938 175.510 -0.000 0.000 1.020 492 N CA 1.019 54.067 53.050 -0.004 0.000 0.858 492 N CB -0.297 38.191 38.487 0.002 0.000 0.991 492 N HN 0.377 nan 8.380 nan 0.000 0.427 493 K N 0.384 120.782 120.400 -0.003 0.000 2.365 493 K HA 0.026 4.347 4.320 0.002 0.000 0.199 493 K C 0.556 177.156 176.600 -0.000 0.000 1.045 493 K CA 0.497 56.785 56.287 0.001 0.000 0.962 493 K CB -0.029 32.471 32.500 0.001 0.000 0.759 493 K HN 0.245 nan 8.250 nan 0.000 0.469 494 G N 1.931 110.728 108.800 -0.004 0.000 2.295 494 G HA2 -0.246 3.715 3.960 0.002 0.000 0.287 494 G HA3 -0.246 3.715 3.960 0.002 0.000 0.287 494 G C 0.076 174.973 174.900 -0.004 0.000 1.055 494 G CA 0.214 45.312 45.100 -0.004 0.000 0.922 494 G HN 0.152 nan 8.290 nan 0.000 0.503 495 L N -0.605 120.613 121.223 -0.007 0.000 2.591 495 L HA 0.598 4.939 4.340 0.002 0.000 0.197 495 L C 1.253 178.118 176.870 -0.008 0.000 1.537 495 L CA 0.585 55.421 54.840 -0.007 0.000 3.045 495 L CB -0.190 41.865 42.059 -0.007 0.000 2.859 495 L HN 0.460 nan 8.230 nan 0.000 0.957 496 Q N 0.379 120.172 119.800 -0.011 0.000 2.278 496 Q HA 0.384 4.725 4.340 0.002 0.000 0.257 496 Q C -1.021 174.970 176.000 -0.015 0.000 0.928 496 Q CA -0.188 55.608 55.803 -0.011 0.000 0.932 496 Q CB 1.292 30.024 28.738 -0.011 0.000 1.221 496 Q HN 0.234 nan 8.270 nan 0.000 0.434 497 E N 2.557 122.749 120.200 -0.014 0.000 2.313 497 E HA 0.158 4.509 4.350 0.002 0.000 0.276 497 E C -0.941 175.649 176.600 -0.016 0.000 1.031 497 E CA -0.388 56.002 56.400 -0.016 0.000 0.857 497 E CB 0.747 30.439 29.700 -0.014 0.000 1.040 497 E HN 0.569 nan 8.360 nan 0.000 0.408 498 L N 6.201 127.413 121.223 -0.019 0.000 2.397 498 L HA 0.150 4.491 4.340 0.002 0.000 0.263 498 L C 1.065 177.926 176.870 -0.015 0.000 1.136 498 L CA -0.165 54.664 54.840 -0.017 0.000 1.019 498 L CB 0.112 42.159 42.059 -0.021 0.000 1.352 498 L HN 0.611 nan 8.230 nan 0.000 0.420 499 K N 0.569 120.962 120.400 -0.012 0.000 2.360 499 K HA -0.080 4.241 4.320 0.002 0.000 0.201 499 K C 0.770 177.365 176.600 -0.009 0.000 1.046 499 K CA 1.267 57.548 56.287 -0.010 0.000 0.940 499 K CB 0.137 32.632 32.500 -0.008 0.000 0.748 499 K HN 0.692 nan 8.250 nan 0.000 0.465 500 T N -2.913 111.635 114.554 -0.009 0.000 2.626 500 T HA 0.161 4.512 4.350 0.002 0.000 0.240 500 T C -2.493 172.203 174.700 -0.007 0.000 0.943 500 T CA -0.625 61.471 62.100 -0.007 0.000 1.268 500 T CB 0.697 69.561 68.868 -0.007 0.000 1.702 500 T HN -0.222 nan 8.240 nan 0.000 0.442 501 P HA 0.470 nan 4.420 nan 0.000 0.274 501 P C 0.092 177.389 177.300 -0.005 0.000 1.352 501 P CA -0.093 63.004 63.100 -0.005 0.000 0.947 501 P CB -0.499 31.198 31.700 -0.004 0.000 1.437 502 A N 1.288 124.105 122.820 -0.006 0.000 2.540 502 A HA -0.043 4.278 4.320 0.002 0.000 0.268 502 A C 0.915 178.497 177.584 -0.004 0.000 1.061 502 A CA 0.482 52.516 52.037 -0.006 0.000 0.821 502 A CB -0.298 18.697 19.000 -0.008 0.000 0.970 502 A HN 0.245 nan 8.150 nan 0.000 0.524 503 R N 3.835 124.334 120.500 -0.002 0.000 1.792 503 R HA 0.641 4.982 4.340 0.002 0.000 0.139 503 R C 1.290 177.590 176.300 0.001 0.000 2.091 503 R CA 0.123 56.223 56.100 0.000 0.000 1.697 503 R CB -0.974 29.327 30.300 0.001 0.000 1.340 503 R HN 1.409 nan 8.270 nan 0.000 0.481 504 A N 2.601 125.421 122.820 0.000 0.000 2.189 504 A HA -0.214 4.107 4.320 0.002 0.000 0.272 504 A C 1.163 178.748 177.584 0.002 0.000 1.349 504 A CA 0.605 52.642 52.037 -0.000 0.000 0.778 504 A CB -1.682 17.317 19.000 -0.003 0.000 1.088 504 A HN 0.539 nan 8.150 nan 0.000 0.351 505 L N -0.323 120.903 121.223 0.005 0.000 2.143 505 L HA -0.413 3.928 4.340 0.002 0.000 0.231 505 L C 2.740 179.615 176.870 0.008 0.000 1.106 505 L CA 2.527 57.372 54.840 0.009 0.000 0.827 505 L CB -0.949 41.118 42.059 0.013 0.000 0.915 505 L HN 0.782 nan 8.230 nan 0.000 0.448 506 S N -0.334 115.371 115.700 0.007 0.000 2.374 506 S HA -0.240 4.231 4.470 0.002 0.000 0.227 506 S C 1.741 176.342 174.600 0.001 0.000 1.037 506 S CA 1.629 59.833 58.200 0.007 0.000 1.024 506 S CB -0.445 62.758 63.200 0.006 0.000 0.861 506 S HN 0.281 nan 8.310 nan 0.000 0.456 507 L N 1.245 122.467 121.223 -0.002 0.000 2.265 507 L HA -0.041 4.300 4.340 0.002 0.000 0.215 507 L C 1.649 178.515 176.870 -0.006 0.000 1.117 507 L CA 1.171 56.007 54.840 -0.006 0.000 0.782 507 L CB -0.420 41.635 42.059 -0.007 0.000 0.914 507 L HN 0.258 nan 8.230 nan 0.000 0.441 508 I N 0.023 120.593 120.570 -0.001 0.000 2.244 508 I HA -0.156 4.015 4.170 0.002 0.000 0.231 508 I C 1.114 177.231 176.117 0.000 0.000 1.065 508 I CA 0.594 61.893 61.300 -0.001 0.000 1.358 508 I CB -1.242 36.760 38.000 0.004 0.000 1.130 508 I HN 0.281 nan 8.210 nan 0.000 0.411 509 K N 2.556 122.960 120.400 0.007 0.000 2.021 509 K HA 0.147 4.468 4.320 0.002 0.000 0.238 509 K C 0.428 177.028 176.600 -0.000 0.000 1.149 509 K CA 0.272 56.564 56.287 0.009 0.000 1.105 509 K CB 0.593 33.105 32.500 0.019 0.000 1.246 509 K HN 0.325 nan 8.250 nan 0.000 0.307 510 R N 0.949 121.442 120.500 -0.011 0.000 3.350 510 R HA 0.073 4.414 4.340 0.002 0.000 0.148 510 R C -1.061 175.216 176.300 -0.039 0.000 0.732 510 R CA -0.157 55.924 56.100 -0.031 0.000 1.152 510 R CB -0.345 29.936 30.300 -0.032 0.000 1.613 510 R HN 0.354 nan 8.270 nan 0.000 0.529 511 P HA 0.178 nan 4.420 nan 0.000 0.221 511 P C 0.334 177.627 177.300 -0.012 0.000 1.155 511 P CA 1.338 64.426 63.100 -0.021 0.000 0.812 511 P CB 0.487 32.180 31.700 -0.013 0.000 0.801 512 G N -1.092 107.706 108.800 -0.003 0.000 4.990 512 G HA2 0.221 4.182 3.960 0.002 0.000 0.221 512 G HA3 0.221 4.182 3.960 0.002 0.000 0.221 512 G C -0.557 174.352 174.900 0.015 0.000 0.986 512 G CA -0.258 44.846 45.100 0.008 0.000 1.002 512 G HN 0.098 nan 8.290 nan 0.000 0.531 513 I N 1.278 121.858 120.570 0.016 0.000 2.509 513 I HA 0.500 4.671 4.170 0.002 0.000 0.293 513 I C 0.420 176.555 176.117 0.030 0.000 1.020 513 I CA -0.964 60.351 61.300 0.024 0.000 1.088 513 I CB 2.188 40.200 38.000 0.020 0.000 1.267 513 I HN 0.123 nan 8.210 nan 0.000 0.430 514 S N 4.563 120.286 115.700 0.038 0.000 2.580 514 S HA 0.197 4.668 4.470 0.002 0.000 0.274 514 S C 1.016 175.638 174.600 0.038 0.000 1.329 514 S CA -0.414 57.809 58.200 0.038 0.000 1.036 514 S CB 0.853 64.075 63.200 0.036 0.000 0.919 514 S HN 0.634 nan 8.310 nan 0.000 0.515 515 L N 4.012 125.255 121.223 0.034 0.000 2.079 515 L HA -0.127 4.214 4.340 0.002 0.000 0.210 515 L C 2.394 179.282 176.870 0.030 0.000 1.081 515 L CA 1.686 56.545 54.840 0.032 0.000 0.752 515 L CB -0.348 41.729 42.059 0.030 0.000 0.896 515 L HN 0.839 nan 8.230 nan 0.000 0.433 516 Q N -0.587 119.229 119.800 0.025 0.000 2.369 516 Q HA -0.165 4.176 4.340 0.002 0.000 0.206 516 Q C 1.379 177.391 176.000 0.020 0.000 0.963 516 Q CA 1.056 56.868 55.803 0.016 0.000 0.894 516 Q CB 0.096 28.838 28.738 0.008 0.000 0.965 516 Q HN 0.587 nan 8.270 nan 0.000 0.475 517 D N 0.133 120.562 120.400 0.048 0.000 2.224 517 D HA -0.084 4.557 4.640 0.002 0.000 0.205 517 D C 1.514 177.902 176.300 0.148 0.000 0.965 517 D CA 0.879 54.939 54.000 0.100 0.000 0.852 517 D CB 0.201 41.069 40.800 0.113 0.000 0.947 517 D HN 0.307 nan 8.370 nan 0.000 0.494 518 I N -0.141 120.484 120.570 0.091 0.000 2.364 518 I HA -0.164 4.007 4.170 0.002 0.000 0.241 518 I C 1.980 178.136 176.117 0.065 0.000 1.082 518 I CA 0.207 61.561 61.300 0.090 0.000 1.401 518 I CB -0.009 38.025 38.000 0.057 0.000 1.126 518 I HN -0.123 nan 8.210 nan 0.000 0.429 519 L N 0.856 122.098 121.223 0.033 0.000 2.137 519 L HA -0.287 4.054 4.340 0.002 0.000 0.213 519 L C 2.430 179.294 176.870 -0.010 0.000 1.085 519 L CA 1.846 56.694 54.840 0.013 0.000 0.760 519 L CB -0.717 41.346 42.059 0.006 0.000 0.893 519 L HN 0.314 nan 8.230 nan 0.000 0.434 520 E N -1.902 118.273 120.200 -0.042 0.000 2.216 520 E HA -0.172 4.179 4.350 0.002 0.000 0.192 520 E C 1.741 178.217 176.600 -0.206 0.000 0.988 520 E CA 0.602 56.917 56.400 -0.142 0.000 0.834 520 E CB 0.135 29.704 29.700 -0.217 0.000 0.772 520 E HN 0.602 nan 8.360 nan 0.000 0.479 521 H N -0.740 118.333 119.070 0.005 0.000 2.639 521 H HA 0.149 4.706 4.556 0.002 0.000 0.267 521 H C 0.396 175.726 175.328 0.004 0.000 0.958 521 H CA 0.768 56.818 56.048 0.004 0.000 1.221 521 H CB 0.869 30.633 29.762 0.004 0.000 1.446 521 H HN 0.049 nan 8.280 nan 0.000 0.512 522 S N 0.183 115.946 115.700 0.106 0.000 2.502 522 S HA 0.239 4.710 4.470 0.002 0.000 0.304 522 S C 0.917 175.538 174.600 0.035 0.000 1.097 522 S CA -0.760 57.478 58.200 0.064 0.000 1.045 522 S CB 2.018 65.250 63.200 0.053 0.000 1.019 522 S HN 0.183 nan 8.310 nan 0.000 0.481 523 L N 2.890 124.130 121.223 0.028 0.000 2.217 523 L HA -0.028 4.313 4.340 0.002 0.000 0.211 523 L C 2.737 179.616 176.870 0.016 0.000 1.107 523 L CA 1.381 56.231 54.840 0.017 0.000 0.783 523 L CB -0.498 41.570 42.059 0.015 0.000 0.919 523 L HN 0.990 nan 8.230 nan 0.000 0.442 524 S N -0.635 115.076 115.700 0.018 0.000 2.359 524 S HA -0.191 4.280 4.470 0.002 0.000 0.223 524 S C 1.827 176.437 174.600 0.015 0.000 1.039 524 S CA 1.951 60.160 58.200 0.015 0.000 1.042 524 S CB -0.192 63.017 63.200 0.016 0.000 0.915 524 S HN 0.284 nan 8.310 nan 0.000 0.439 525 V N 3.520 123.445 119.914 0.018 0.000 2.302 525 V HA -0.103 4.018 4.120 0.002 0.000 0.243 525 V C 2.623 178.727 176.094 0.016 0.000 1.036 525 V CA 1.960 64.271 62.300 0.018 0.000 1.020 525 V CB -0.889 30.948 31.823 0.022 0.000 0.657 525 V HN 0.592 nan 8.190 nan 0.000 0.453 526 R N 0.799 121.307 120.500 0.014 0.000 2.127 526 R HA -0.131 4.210 4.340 0.002 0.000 0.238 526 R C 2.244 178.550 176.300 0.009 0.000 1.134 526 R CA 1.736 57.842 56.100 0.010 0.000 0.975 526 R CB -0.943 29.360 30.300 0.004 0.000 0.865 526 R HN 0.431 nan 8.270 nan 0.000 0.447 527 S N 1.188 116.894 115.700 0.010 0.000 2.383 527 S HA -0.049 4.422 4.470 0.002 0.000 0.227 527 S C 2.107 176.714 174.600 0.012 0.000 1.026 527 S CA 1.194 59.400 58.200 0.009 0.000 0.981 527 S CB -0.048 63.157 63.200 0.009 0.000 0.818 527 S HN 0.581 nan 8.310 nan 0.000 0.472 528 A N 0.215 123.044 122.820 0.014 0.000 2.081 528 A HA 0.661 4.982 4.320 0.002 0.000 0.214 528 A C 0.893 178.490 177.584 0.021 0.000 1.158 528 A CA 0.745 52.791 52.037 0.016 0.000 0.724 528 A CB 0.047 19.056 19.000 0.015 0.000 0.826 528 A HN 0.521 nan 8.150 nan 0.000 0.463 529 A N -0.520 122.311 122.820 0.019 0.000 2.626 529 A HA 0.548 4.868 4.320 0.002 0.000 0.293 529 A C -0.293 177.301 177.584 0.016 0.000 1.111 529 A CA -0.073 51.977 52.037 0.022 0.000 0.874 529 A CB 0.335 19.351 19.000 0.027 0.000 1.451 529 A HN 0.204 nan 8.150 nan 0.000 0.396 530 E N 1.882 122.089 120.200 0.012 0.000 2.583 530 E HA 0.003 4.354 4.350 0.002 0.000 0.213 530 E C 1.288 177.892 176.600 0.006 0.000 0.989 530 E CA 0.621 57.025 56.400 0.007 0.000 0.991 530 E CB 0.382 30.084 29.700 0.004 0.000 1.040 530 E HN 0.889 nan 8.360 nan 0.000 0.481 531 E N 1.010 121.215 120.200 0.008 0.000 2.107 531 E HA -0.186 4.165 4.350 0.002 0.000 0.191 531 E C 2.087 178.690 176.600 0.006 0.000 0.982 531 E CA 0.950 57.353 56.400 0.005 0.000 0.809 531 E CB -0.491 29.211 29.700 0.004 0.000 0.756 531 E HN 0.373 nan 8.360 nan 0.000 0.459 532 L N -0.055 121.174 121.223 0.011 0.000 2.141 532 L HA -0.031 4.310 4.340 0.002 0.000 0.209 532 L C 2.812 179.687 176.870 0.008 0.000 1.094 532 L CA 1.150 55.997 54.840 0.012 0.000 0.763 532 L CB -1.185 40.884 42.059 0.017 0.000 0.908 532 L HN 0.204 nan 8.230 nan 0.000 0.437 533 C N 2.084 121.388 119.300 0.006 0.000 2.388 533 C HA -0.181 4.280 4.460 0.002 0.000 0.277 533 C C 2.825 177.815 174.990 0.001 0.000 1.210 533 C CA 1.886 60.906 59.018 0.002 0.000 1.743 533 C CB -1.094 26.645 27.740 -0.000 0.000 2.047 533 C HN 0.722 nan 8.230 nan 0.000 0.458 534 N N 0.877 119.577 118.700 0.000 0.000 2.149 534 N HA -0.043 4.698 4.740 0.002 0.000 0.188 534 N C 0.327 175.838 175.510 0.001 0.000 1.019 534 N CA 1.231 54.281 53.050 -0.001 0.000 0.857 534 N CB -0.484 38.001 38.487 -0.002 0.000 0.997 534 N HN 0.645 nan 8.380 nan 0.000 0.426 535 D N -0.227 120.175 120.400 0.002 0.000 2.303 535 D HA 0.184 4.825 4.640 0.002 0.000 0.236 535 D C -1.846 174.458 176.300 0.008 0.000 1.068 535 D CA -2.072 51.931 54.000 0.005 0.000 0.830 535 D CB 2.198 43.001 40.800 0.005 0.000 1.109 535 D HN 0.013 nan 8.370 nan 0.000 0.496 536 P HA 0.091 nan 4.420 nan 0.000 0.240 536 P C 1.177 178.484 177.300 0.013 0.000 1.190 536 P CA 0.196 63.301 63.100 0.008 0.000 0.781 536 P CB 0.945 32.648 31.700 0.004 0.000 0.931 537 R N -0.144 120.367 120.500 0.019 0.000 2.062 537 R HA 0.009 4.350 4.340 0.002 0.000 0.226 537 R C 2.254 178.566 176.300 0.020 0.000 1.125 537 R CA 0.935 57.051 56.100 0.027 0.000 0.966 537 R CB -1.005 29.320 30.300 0.042 0.000 0.861 537 R HN 0.018 nan 8.270 nan 0.000 0.433 538 V N 1.450 121.374 119.914 0.017 0.000 2.252 538 V HA -0.308 3.813 4.120 0.002 0.000 0.249 538 V C 2.535 178.641 176.094 0.019 0.000 1.056 538 V CA 2.115 64.425 62.300 0.016 0.000 1.022 538 V CB -0.864 30.968 31.823 0.015 0.000 0.641 538 V HN 0.423 nan 8.190 nan 0.000 0.445 539 A N -0.615 122.215 122.820 0.017 0.000 1.927 539 A HA -0.343 3.978 4.320 0.002 0.000 0.220 539 A C 2.328 179.923 177.584 0.018 0.000 1.185 539 A CA 2.383 54.431 52.037 0.017 0.000 0.639 539 A CB -0.599 18.409 19.000 0.013 0.000 0.820 539 A HN 0.676 nan 8.150 nan 0.000 0.451 540 E N -1.038 119.169 120.200 0.012 0.000 2.072 540 E HA -0.214 4.137 4.350 0.002 0.000 0.191 540 E C 2.173 178.778 176.600 0.008 0.000 0.985 540 E CA 1.114 57.517 56.400 0.005 0.000 0.801 540 E CB -0.146 29.549 29.700 -0.007 0.000 0.750 540 E HN 0.640 nan 8.360 nan 0.000 0.452 541 Q N 0.267 120.074 119.800 0.011 0.000 2.016 541 Q HA -0.107 4.234 4.340 0.002 0.000 0.200 541 Q C 2.469 178.489 176.000 0.032 0.000 0.978 541 Q CA 1.164 56.976 55.803 0.014 0.000 0.833 541 Q CB -0.331 28.414 28.738 0.013 0.000 0.895 541 Q HN 0.243 nan 8.270 nan 0.000 0.427 542 V N 1.458 121.393 119.914 0.034 0.000 2.282 542 V HA -0.306 3.815 4.120 0.002 0.000 0.249 542 V C 2.491 178.617 176.094 0.054 0.000 1.057 542 V CA 2.213 64.538 62.300 0.042 0.000 1.032 542 V CB -0.661 31.183 31.823 0.036 0.000 0.645 542 V HN 0.459 nan 8.190 nan 0.000 0.447 543 Q N -0.830 119.001 119.800 0.052 0.000 2.234 543 Q HA -0.193 4.147 4.340 0.002 0.000 0.206 543 Q C 2.102 178.167 176.000 0.108 0.000 0.980 543 Q CA 1.780 57.622 55.803 0.065 0.000 0.869 543 Q CB -0.076 28.694 28.738 0.054 0.000 0.912 543 Q HN 0.689 nan 8.270 nan 0.000 0.436 544 I N -0.034 120.610 120.570 0.123 0.000 2.429 544 I HA -0.155 4.016 4.170 0.002 0.000 0.247 544 I C 2.100 178.355 176.117 0.229 0.000 1.099 544 I CA 0.409 61.841 61.300 0.219 0.000 1.422 544 I CB -0.159 37.901 38.000 0.100 0.000 1.112 544 I HN 0.074 nan 8.210 nan 0.000 0.430 545 E N 1.134 121.411 120.200 0.129 0.000 2.187 545 E HA -0.242 4.109 4.350 0.002 0.000 0.199 545 E C 2.108 178.775 176.600 0.112 0.000 1.004 545 E CA 1.835 58.301 56.400 0.110 0.000 0.813 545 E CB -0.176 29.565 29.700 0.068 0.000 0.736 545 E HN 0.699 nan 8.360 nan 0.000 0.468 546 I N -2.882 117.747 120.570 0.099 0.000 3.081 546 I HA 0.054 4.225 4.170 0.002 0.000 0.274 546 I C 1.946 178.094 176.117 0.051 0.000 1.178 546 I CA 0.374 61.713 61.300 0.065 0.000 1.460 546 I CB 0.014 38.039 38.000 0.041 0.000 1.137 546 I HN -0.236 nan 8.210 nan 0.000 0.443 547 K N 0.208 120.647 120.400 0.064 0.000 2.439 547 K HA 0.014 4.335 4.320 0.002 0.000 0.197 547 K C 0.085 176.542 176.600 -0.238 0.000 1.041 547 K CA 1.071 57.320 56.287 -0.063 0.000 0.970 547 K CB 0.035 32.505 32.500 -0.050 0.000 0.773 547 K HN 0.423 nan 8.250 nan 0.000 0.479 548 Y N -0.574 119.787 120.300 0.102 0.000 2.698 548 Y HA 0.074 4.625 4.550 0.002 0.000 0.261 548 Y C 1.247 177.225 175.900 0.130 0.000 1.104 548 Y CA -0.499 57.699 58.100 0.165 0.000 1.145 548 Y CB 0.609 39.150 38.460 0.134 0.000 1.191 548 Y HN -0.032 nan 8.280 nan 0.000 0.564 549 E N 0.986 121.275 120.200 0.148 0.000 2.049 549 E HA -0.162 4.189 4.350 0.002 0.000 0.198 549 E C 2.418 179.046 176.600 0.046 0.000 1.007 549 E CA 2.136 58.585 56.400 0.082 0.000 0.809 549 E CB -0.445 29.273 29.700 0.030 0.000 0.749 549 E HN 0.513 nan 8.360 nan 0.000 0.450 550 G N -0.929 107.852 108.800 -0.031 0.000 2.459 550 G HA2 -0.291 3.670 3.960 0.002 0.000 0.217 550 G HA3 -0.291 3.670 3.960 0.002 0.000 0.217 550 G C 1.367 176.174 174.900 -0.155 0.000 1.183 550 G CA 1.248 46.243 45.100 -0.175 0.000 0.776 550 G HN 0.404 nan 8.290 nan 0.000 0.552 551 Y N 0.327 120.673 120.300 0.076 0.000 2.314 551 Y HA 0.133 4.684 4.550 0.002 0.000 0.293 551 Y C 2.689 178.629 175.900 0.067 0.000 1.129 551 Y CA 0.371 58.522 58.100 0.085 0.000 1.201 551 Y CB -0.123 38.429 38.460 0.153 0.000 0.999 551 Y HN 0.125 nan 8.280 nan 0.000 0.541 552 I N -0.138 120.564 120.570 0.221 0.000 2.252 552 I HA -0.269 3.902 4.170 0.002 0.000 0.245 552 I C 2.385 178.547 176.117 0.075 0.000 1.102 552 I CA 1.330 62.709 61.300 0.132 0.000 1.385 552 I CB -0.207 37.866 38.000 0.122 0.000 1.064 552 I HN 0.040 nan 8.210 nan 0.000 0.414 553 K N 1.082 121.514 120.400 0.054 0.000 2.057 553 K HA -0.194 4.126 4.320 0.002 0.000 0.207 553 K C 2.241 178.850 176.600 0.015 0.000 1.049 553 K CA 1.405 57.707 56.287 0.025 0.000 0.931 553 K CB -0.178 32.325 32.500 0.006 0.000 0.714 553 K HN 0.043 nan 8.250 nan 0.000 0.440 554 R N 0.509 121.017 120.500 0.013 0.000 2.073 554 R HA -0.118 4.223 4.340 0.002 0.000 0.234 554 R C 1.904 178.207 176.300 0.004 0.000 1.134 554 R CA 1.924 58.028 56.100 0.006 0.000 0.952 554 R CB -0.078 30.227 30.300 0.008 0.000 0.850 554 R HN 0.297 nan 8.270 nan 0.000 0.433 555 E N -0.171 120.039 120.200 0.017 0.000 2.106 555 E HA -0.245 4.106 4.350 0.002 0.000 0.192 555 E C 2.031 178.601 176.600 -0.049 0.000 0.984 555 E CA 1.125 57.500 56.400 -0.041 0.000 0.806 555 E CB 0.030 29.719 29.700 -0.018 0.000 0.750 555 E HN 0.414 nan 8.360 nan 0.000 0.458 556 Q N 0.297 120.100 119.800 0.005 0.000 2.172 556 Q HA -0.131 4.210 4.340 0.002 0.000 0.200 556 Q C 2.058 178.072 176.000 0.024 0.000 0.964 556 Q CA 0.545 56.364 55.803 0.027 0.000 0.855 556 Q CB 0.141 28.901 28.738 0.037 0.000 0.918 556 Q HN 0.138 nan 8.270 nan 0.000 0.444 557 L N -0.770 120.459 121.223 0.009 0.000 2.093 557 L HA -0.145 4.196 4.340 0.002 0.000 0.208 557 L C 2.000 178.877 176.870 0.010 0.000 1.085 557 L CA 1.182 56.028 54.840 0.010 0.000 0.755 557 L CB -0.225 41.835 42.059 0.002 0.000 0.904 557 L HN 0.093 nan 8.230 nan 0.000 0.435 558 V N -0.880 119.027 119.914 -0.012 0.000 2.453 558 V HA -0.179 3.942 4.120 0.002 0.000 0.247 558 V C 2.639 178.761 176.094 0.047 0.000 1.048 558 V CA 1.305 63.596 62.300 -0.014 0.000 1.049 558 V CB -1.273 30.502 31.823 -0.080 0.000 0.672 558 V HN 0.486 nan 8.190 nan 0.000 0.457 559 A N 0.104 122.967 122.820 0.072 0.000 2.019 559 A HA -0.250 4.071 4.320 0.002 0.000 0.219 559 A C 1.890 179.564 177.584 0.151 0.000 1.164 559 A CA 2.173 54.376 52.037 0.277 0.000 0.644 559 A CB -0.536 18.631 19.000 0.277 0.000 0.805 559 A HN 0.541 nan 8.150 nan 0.000 0.449 560 D N -1.281 119.171 120.400 0.086 0.000 2.183 560 D HA 0.008 4.649 4.640 0.002 0.000 0.205 560 D C 2.136 178.466 176.300 0.050 0.000 0.962 560 D CA 0.742 54.777 54.000 0.058 0.000 0.849 560 D CB -0.134 40.691 40.800 0.041 0.000 0.978 560 D HN 0.259 nan 8.370 nan 0.000 0.488 561 R N 0.059 120.588 120.500 0.049 0.000 2.073 561 R HA -0.042 4.299 4.340 0.002 0.000 0.234 561 R C 1.919 178.248 176.300 0.049 0.000 1.134 561 R CA 0.838 56.963 56.100 0.041 0.000 0.952 561 R CB -0.460 29.860 30.300 0.034 0.000 0.850 561 R HN 0.112 nan 8.270 nan 0.000 0.433 562 I N 0.124 120.740 120.570 0.076 0.000 2.439 562 I HA -0.127 4.044 4.170 0.002 0.000 0.251 562 I C 2.059 178.207 176.117 0.052 0.000 1.139 562 I CA 1.261 62.606 61.300 0.076 0.000 1.438 562 I CB -0.439 37.642 38.000 0.135 0.000 1.085 562 I HN 0.211 nan 8.210 nan 0.000 0.427 563 A N 0.501 123.355 122.820 0.057 0.000 1.877 563 A HA -0.252 4.069 4.320 0.002 0.000 0.216 563 A C 2.421 180.027 177.584 0.037 0.000 1.186 563 A CA 2.011 54.072 52.037 0.042 0.000 0.620 563 A CB -0.587 18.440 19.000 0.045 0.000 0.822 563 A HN 0.368 nan 8.150 nan 0.000 0.443 564 R N 0.149 120.670 120.500 0.035 0.000 2.091 564 R HA -0.046 4.295 4.340 0.002 0.000 0.238 564 R C 1.799 178.114 176.300 0.025 0.000 1.136 564 R CA 1.858 57.974 56.100 0.027 0.000 0.959 564 R CB -0.879 29.435 30.300 0.023 0.000 0.856 564 R HN 0.476 nan 8.270 nan 0.000 0.437 565 L N 0.321 121.559 121.223 0.024 0.000 2.017 565 L HA -0.145 4.196 4.340 0.002 0.000 0.208 565 L C 1.665 178.545 176.870 0.016 0.000 1.073 565 L CA 1.598 56.449 54.840 0.017 0.000 0.745 565 L CB -0.512 41.557 42.059 0.018 0.000 0.894 565 L HN 0.239 nan 8.230 nan 0.000 0.432 566 D N -0.955 119.460 120.400 0.025 0.000 2.392 566 D HA -0.106 4.535 4.640 0.002 0.000 0.228 566 D C 1.599 177.946 176.300 0.079 0.000 1.003 566 D CA 0.748 54.772 54.000 0.039 0.000 0.917 566 D CB 0.199 41.023 40.800 0.039 0.000 0.890 566 D HN 0.071 nan 8.370 nan 0.000 0.532 567 S N -0.241 115.496 115.700 0.060 0.000 2.574 567 S HA 0.234 4.705 4.470 0.002 0.000 0.242 567 S C 0.330 174.967 174.600 0.062 0.000 0.982 567 S CA -0.328 57.914 58.200 0.069 0.000 0.977 567 S CB -0.020 63.208 63.200 0.047 0.000 0.814 567 S HN 0.129 nan 8.310 nan 0.000 0.464 568 L N 1.804 123.058 121.223 0.052 0.000 2.495 568 L HA 0.407 4.748 4.340 0.002 0.000 0.248 568 L C 0.500 177.389 176.870 0.032 0.000 1.229 568 L CA -0.435 54.423 54.840 0.031 0.000 0.942 568 L CB 0.393 42.449 42.059 -0.005 0.000 1.242 568 L HN 0.265 nan 8.230 nan 0.000 0.484 569 H N 2.076 121.151 119.070 0.007 0.000 2.533 569 H HA 0.140 4.697 4.556 0.002 0.000 0.271 569 H C 1.682 177.022 175.328 0.020 0.000 1.000 569 H CA 0.548 56.608 56.048 0.020 0.000 1.149 569 H CB 0.735 30.510 29.762 0.022 0.000 1.375 569 H HN 0.743 nan 8.280 nan 0.000 0.582 570 I N -0.518 120.096 120.570 0.074 0.000 3.578 570 I HA 0.171 4.342 4.170 0.002 0.000 0.295 570 I C -1.532 174.592 176.117 0.012 0.000 1.280 570 I CA -0.654 60.668 61.300 0.037 0.000 1.347 570 I CB -0.633 37.360 38.000 -0.011 0.000 1.051 570 I HN -0.118 nan 8.210 nan 0.000 0.460 571 P HA 0.125 nan 4.420 nan 0.000 0.271 571 P C -0.636 176.850 177.300 0.311 0.000 1.380 571 P CA 0.535 63.723 63.100 0.147 0.000 0.992 571 P CB 1.012 32.825 31.700 0.189 0.000 1.230 572 D N 2.496 123.107 120.400 0.351 0.000 3.127 572 D HA -0.010 4.630 4.640 0.002 0.000 0.177 572 D C 0.025 176.446 176.300 0.202 0.000 1.288 572 D CA -0.244 53.897 54.000 0.235 0.000 1.529 572 D CB 0.170 41.059 40.800 0.147 0.000 1.196 572 D HN 0.014 nan 8.370 nan 0.000 0.174 573 N N 0.640 119.433 118.700 0.154 0.000 3.115 573 N HA 0.118 4.859 4.740 0.002 0.000 0.305 573 N C -0.963 174.618 175.510 0.119 0.000 1.305 573 N CA -0.030 53.073 53.050 0.087 0.000 1.154 573 N CB -1.181 37.344 38.487 0.062 0.000 1.454 573 N HN 0.165 nan 8.380 nan 0.000 0.551 574 F N -1.550 118.355 119.950 -0.076 0.000 2.561 574 F HA 0.527 5.055 4.527 0.001 0.000 0.321 574 F C 0.110 175.828 175.800 -0.136 0.000 1.065 574 F CA -1.354 56.576 58.000 -0.116 0.000 0.934 574 F CB 0.645 39.547 39.000 -0.163 0.000 1.215 574 F HN -0.221 nan 8.300 nan 0.000 0.471 575 N N 2.681 121.334 118.700 -0.079 0.000 2.423 575 N HA -0.069 4.672 4.740 0.002 0.000 0.275 575 N C 0.091 175.449 175.510 -0.253 0.000 1.283 575 N CA 0.436 53.410 53.050 -0.126 0.000 0.932 575 N CB 0.236 38.725 38.487 0.004 0.000 1.185 575 N HN 0.727 nan 8.380 nan 0.000 0.483 576 Y N 0.617 120.704 120.300 -0.355 0.000 2.616 576 Y HA -0.060 4.491 4.550 0.002 0.000 0.296 576 Y C 0.833 176.681 175.900 -0.087 0.000 1.154 576 Y CA 0.614 58.556 58.100 -0.263 0.000 1.325 576 Y CB 0.336 38.625 38.460 -0.285 0.000 1.007 576 Y HN 0.395 nan 8.280 nan 0.000 0.542 577 D N -1.837 118.597 120.400 0.057 0.000 2.722 577 D HA 0.143 4.784 4.640 0.002 0.000 0.239 577 D C 0.995 177.321 176.300 0.043 0.000 1.249 577 D CA 0.245 54.273 54.000 0.046 0.000 0.830 577 D CB 0.290 41.104 40.800 0.023 0.000 1.025 577 D HN 0.029 nan 8.370 nan 0.000 0.486 578 S N -0.901 114.835 115.700 0.061 0.000 2.599 578 S HA 0.203 4.674 4.470 0.002 0.000 0.236 578 S C 0.795 175.433 174.600 0.063 0.000 1.077 578 S CA -0.313 57.924 58.200 0.062 0.000 0.906 578 S CB 0.685 63.936 63.200 0.084 0.000 0.804 578 S HN 0.185 nan 8.310 nan 0.000 0.497 579 L N 3.025 124.300 121.223 0.087 0.000 2.525 579 L HA 0.112 4.453 4.340 0.002 0.000 0.278 579 L C 1.394 178.298 176.870 0.056 0.000 1.218 579 L CA -0.216 54.672 54.840 0.080 0.000 0.878 579 L CB 0.174 42.303 42.059 0.117 0.000 1.127 579 L HN 0.088 nan 8.230 nan 0.000 0.492 580 N N 0.558 119.283 118.700 0.041 0.000 2.083 580 N HA -0.120 4.621 4.740 0.002 0.000 0.190 580 N C 0.989 176.516 175.510 0.028 0.000 1.047 580 N CA 1.281 54.349 53.050 0.029 0.000 0.845 580 N CB 0.196 38.695 38.487 0.020 0.000 1.025 580 N HN 0.561 nan 8.380 nan 0.000 0.428 581 S N -0.101 115.616 115.700 0.028 0.000 2.457 581 S HA 0.363 4.834 4.470 0.002 0.000 0.237 581 S C 0.931 175.548 174.600 0.028 0.000 1.213 581 S CA -0.439 57.775 58.200 0.024 0.000 1.218 581 S CB -0.597 62.613 63.200 0.018 0.000 0.922 581 S HN 0.216 nan 8.310 nan 0.000 0.488 582 L N 0.739 121.984 121.223 0.036 0.000 1.995 582 L HA 0.075 4.416 4.340 0.002 0.000 0.206 582 L C 2.235 179.123 176.870 0.030 0.000 1.098 582 L CA 1.413 56.278 54.840 0.043 0.000 0.762 582 L CB -0.608 41.490 42.059 0.065 0.000 0.900 582 L HN 0.587 nan 8.230 nan 0.000 0.441 583 S N -1.843 113.872 115.700 0.025 0.000 3.530 583 S HA 0.109 4.580 4.470 0.002 0.000 0.180 583 S C 0.983 175.588 174.600 0.008 0.000 0.889 583 S CA 0.479 58.689 58.200 0.018 0.000 1.478 583 S CB 0.966 64.175 63.200 0.015 0.000 0.612 583 S HN 0.411 nan 8.310 nan 0.000 0.615 584 S N -0.044 115.656 115.700 0.000 0.000 2.691 584 S HA -0.252 4.219 4.470 0.002 0.000 0.262 584 S C 0.594 175.190 174.600 -0.007 0.000 1.284 584 S CA 1.417 59.615 58.200 -0.004 0.000 1.372 584 S CB -1.986 61.213 63.200 -0.001 0.000 1.693 584 S HN 0.989 nan 8.310 nan 0.000 0.647 585 E N -0.598 119.598 120.200 -0.007 0.000 1.637 585 E HA 0.118 4.469 4.350 0.002 0.000 0.219 585 E C 1.651 178.247 176.600 -0.006 0.000 1.053 585 E CA 0.627 57.022 56.400 -0.009 0.000 1.275 585 E CB -0.909 28.789 29.700 -0.005 0.000 4.322 585 E HN 0.317 nan 8.360 nan 0.000 0.847 586 G N 2.292 111.093 108.800 0.001 0.000 2.838 586 G HA2 -0.383 3.578 3.960 0.002 0.000 0.215 586 G HA3 -0.383 3.578 3.960 0.002 0.000 0.215 586 G C 1.373 176.265 174.900 -0.014 0.000 1.327 586 G CA 1.434 46.536 45.100 0.005 0.000 0.802 586 G HN 0.250 nan 8.290 nan 0.000 0.658 587 R N 0.565 121.059 120.500 -0.009 0.000 2.153 587 R HA -0.163 4.178 4.340 0.002 0.000 0.252 587 R C 2.525 178.765 176.300 -0.098 0.000 1.158 587 R CA 2.010 58.090 56.100 -0.033 0.000 0.975 587 R CB -0.277 30.021 30.300 -0.004 0.000 0.871 587 R HN 0.599 nan 8.270 nan 0.000 0.450 588 E N -0.290 119.865 120.200 -0.075 0.000 2.152 588 E HA -0.127 4.224 4.350 0.002 0.000 0.192 588 E C 1.846 178.377 176.600 -0.114 0.000 0.983 588 E CA 0.610 56.951 56.400 -0.097 0.000 0.818 588 E CB 0.106 29.763 29.700 -0.071 0.000 0.758 588 E HN 0.260 nan 8.360 nan 0.000 0.467 589 K N 0.731 121.093 120.400 -0.063 0.000 2.155 589 K HA -0.019 4.302 4.320 0.002 0.000 0.203 589 K C 2.247 178.840 176.600 -0.013 0.000 1.052 589 K CA 0.442 56.736 56.287 0.012 0.000 0.948 589 K CB -0.085 32.466 32.500 0.085 0.000 0.728 589 K HN 0.185 nan 8.250 nan 0.000 0.448 590 L N 0.503 121.644 121.223 -0.136 0.000 2.056 590 L HA -0.126 4.215 4.340 0.002 0.000 0.207 590 L C 2.351 178.909 176.870 -0.519 0.000 1.078 590 L CA 0.883 55.538 54.840 -0.308 0.000 0.749 590 L CB -0.371 41.450 42.059 -0.397 0.000 0.901 590 L HN 0.066 nan 8.230 nan 0.000 0.433 591 L N -0.433 120.504 121.223 -0.478 0.000 2.156 591 L HA -0.173 4.168 4.340 0.002 0.000 0.208 591 L C 2.625 179.315 176.870 -0.300 0.000 1.095 591 L CA 1.042 55.628 54.840 -0.423 0.000 0.770 591 L CB -0.345 41.532 42.059 -0.303 0.000 0.914 591 L HN 0.206 nan 8.230 nan 0.000 0.439 592 K N -0.769 119.460 120.400 -0.286 0.000 1.991 592 K HA -0.150 4.171 4.320 0.002 0.000 0.207 592 K C 2.247 178.624 176.600 -0.371 0.000 1.045 592 K CA 1.184 57.264 56.287 -0.345 0.000 0.937 592 K CB -0.020 32.221 32.500 -0.431 0.000 0.720 592 K HN 0.329 nan 8.250 nan 0.000 0.438 593 H N -0.214 118.747 119.070 -0.181 0.000 2.403 593 H HA 0.021 4.578 4.556 0.002 0.000 0.298 593 H C 0.364 175.601 175.328 -0.152 0.000 1.059 593 H CA 0.986 56.940 56.048 -0.156 0.000 1.363 593 H CB 0.194 29.887 29.762 -0.114 0.000 1.410 593 H HN 0.096 nan 8.280 nan 0.000 0.528 594 R N 0.941 121.398 120.500 -0.072 0.000 3.084 594 R HA -0.094 4.247 4.340 0.002 0.000 0.258 594 R C -2.855 173.455 176.300 0.016 0.000 0.914 594 R CA -0.186 55.870 56.100 -0.074 0.000 0.646 594 R CB -1.672 28.577 30.300 -0.085 0.000 1.330 594 R HN 0.258 nan 8.270 nan 0.000 0.465 595 P HA 0.180 nan 4.420 nan 0.000 0.271 595 P C 0.286 177.617 177.300 0.051 0.000 1.220 595 P CA 0.425 63.552 63.100 0.046 0.000 0.768 595 P CB 1.315 33.041 31.700 0.045 0.000 0.848 596 A N 2.741 125.562 122.820 0.000 0.000 1.854 596 A HA -0.003 4.318 4.320 0.002 0.000 0.214 596 A C 1.211 178.631 177.584 -0.274 0.000 1.192 596 A CA 1.638 53.644 52.037 -0.051 0.000 0.611 596 A CB -0.801 18.211 19.000 0.019 0.000 0.832 596 A HN 0.546 nan 8.150 nan 0.000 0.442 597 T N -1.387 112.957 114.554 -0.351 0.000 2.918 597 T HA 0.475 4.826 4.350 0.002 0.000 0.286 597 T C 1.071 175.693 174.700 -0.129 0.000 1.026 597 T CA -0.072 61.796 62.100 -0.388 0.000 1.031 597 T CB 0.912 69.505 68.868 -0.459 0.000 1.046 597 T HN 0.535 nan 8.240 nan 0.000 0.479 598 I N 1.925 122.450 120.570 -0.076 0.000 2.830 598 I HA 0.287 4.458 4.170 0.002 0.000 0.263 598 I C 1.964 178.074 176.117 -0.011 0.000 1.230 598 I CA 1.029 62.321 61.300 -0.012 0.000 1.480 598 I CB -0.415 37.585 38.000 0.000 0.000 1.095 598 I HN 0.650 nan 8.210 nan 0.000 0.455 599 G N 0.604 109.389 108.800 -0.025 0.000 2.394 599 G HA2 -0.246 3.715 3.960 0.002 0.000 0.215 599 G HA3 -0.246 3.715 3.960 0.002 0.000 0.215 599 G C 1.607 176.496 174.900 -0.018 0.000 1.165 599 G CA 0.713 45.806 45.100 -0.012 0.000 0.784 599 G HN 0.550 nan 8.290 nan 0.000 0.535 600 Q N 0.250 120.029 119.800 -0.034 0.000 2.170 600 Q HA -0.037 4.304 4.340 0.002 0.000 0.203 600 Q C 2.665 178.642 176.000 -0.037 0.000 0.976 600 Q CA 1.382 57.163 55.803 -0.037 0.000 0.858 600 Q CB -0.250 28.462 28.738 -0.043 0.000 0.907 600 Q HN 0.422 nan 8.270 nan 0.000 0.433 601 A N 0.472 123.281 122.820 -0.018 0.000 2.014 601 A HA -0.107 4.214 4.320 0.002 0.000 0.218 601 A C 2.064 179.642 177.584 -0.010 0.000 1.163 601 A CA 1.394 53.429 52.037 -0.003 0.000 0.652 601 A CB -0.355 18.671 19.000 0.043 0.000 0.808 601 A HN 0.536 nan 8.150 nan 0.000 0.449 602 S N -0.928 114.768 115.700 -0.007 0.000 2.603 602 S HA 0.064 4.535 4.470 0.002 0.000 0.220 602 S C 1.492 176.084 174.600 -0.014 0.000 0.967 602 S CA 0.381 58.579 58.200 -0.003 0.000 0.920 602 S CB -0.170 63.034 63.200 0.007 0.000 0.773 602 S HN 0.608 nan 8.310 nan 0.000 0.529 603 R N 0.322 120.804 120.500 -0.032 0.000 2.334 603 R HA 0.331 4.672 4.340 0.002 0.000 0.212 603 R C -0.285 175.971 176.300 -0.074 0.000 0.897 603 R CA -0.164 55.911 56.100 -0.042 0.000 1.056 603 R CB 0.148 30.424 30.300 -0.041 0.000 1.046 603 R HN 0.370 nan 8.270 nan 0.000 0.513 604 I N 2.139 122.649 120.570 -0.100 0.000 2.517 604 I HA -0.086 4.085 4.170 0.002 0.000 0.285 604 I C 1.591 177.661 176.117 -0.079 0.000 1.106 604 I CA 0.173 61.382 61.300 -0.151 0.000 1.402 604 I CB 0.465 38.353 38.000 -0.186 0.000 1.399 604 I HN 0.151 nan 8.210 nan 0.000 0.535 605 L N 5.994 127.176 121.223 -0.068 0.000 2.353 605 L HA -0.070 4.271 4.340 0.002 0.000 0.220 605 L C 2.146 179.008 176.870 -0.013 0.000 1.133 605 L CA 1.281 56.103 54.840 -0.030 0.000 0.798 605 L CB -0.110 41.936 42.059 -0.021 0.000 0.922 605 L HN 0.841 nan 8.230 nan 0.000 0.445 606 G N -0.860 107.935 108.800 -0.008 0.000 2.394 606 G HA2 -0.100 3.861 3.960 0.002 0.000 0.215 606 G HA3 -0.100 3.861 3.960 0.002 0.000 0.215 606 G C 0.717 175.619 174.900 0.003 0.000 1.165 606 G CA 0.574 45.677 45.100 0.006 0.000 0.784 606 G HN 0.253 nan 8.290 nan 0.000 0.535 607 V N 1.158 121.072 119.914 -0.000 0.000 2.686 607 V HA 0.615 4.736 4.120 0.002 0.000 0.295 607 V C 0.223 176.321 176.094 0.006 0.000 1.055 607 V CA -0.407 61.897 62.300 0.007 0.000 1.050 607 V CB 1.262 33.093 31.823 0.012 0.000 0.984 607 V HN 0.404 nan 8.190 nan 0.000 0.482 608 S N 3.788 119.495 115.700 0.011 0.000 2.687 608 S HA 0.611 5.082 4.470 0.002 0.000 0.283 608 S C -1.770 172.838 174.600 0.013 0.000 1.170 608 S CA -1.165 57.041 58.200 0.010 0.000 1.008 608 S CB 1.203 64.409 63.200 0.010 0.000 1.026 608 S HN 0.664 nan 8.310 nan 0.000 0.541 609 P HA -0.001 nan 4.420 nan 0.000 0.218 609 P C 1.230 178.539 177.300 0.014 0.000 1.148 609 P CA 1.034 64.141 63.100 0.012 0.000 0.822 609 P CB -0.066 31.640 31.700 0.010 0.000 0.784 610 S N -0.875 114.833 115.700 0.014 0.000 2.461 610 S HA -0.090 4.381 4.470 0.002 0.000 0.228 610 S C 1.350 175.962 174.600 0.019 0.000 1.005 610 S CA 1.143 59.352 58.200 0.014 0.000 0.942 610 S CB -0.744 62.464 63.200 0.012 0.000 0.776 610 S HN 0.204 nan 8.310 nan 0.000 0.514 611 D N 0.804 121.218 120.400 0.023 0.000 2.137 611 D HA -0.012 4.629 4.640 0.002 0.000 0.202 611 D C 1.871 178.195 176.300 0.041 0.000 0.970 611 D CA 0.485 54.505 54.000 0.034 0.000 0.837 611 D CB -0.351 40.471 40.800 0.036 0.000 0.981 611 D HN 0.151 nan 8.370 nan 0.000 0.475 612 V N 0.063 119.998 119.914 0.035 0.000 2.759 612 V HA -0.165 3.956 4.120 0.002 0.000 0.256 612 V C 1.850 177.959 176.094 0.026 0.000 1.080 612 V CA 1.574 63.896 62.300 0.035 0.000 1.101 612 V CB -0.254 31.586 31.823 0.028 0.000 0.698 612 V HN 0.095 nan 8.190 nan 0.000 0.477 613 S N 0.321 116.034 115.700 0.020 0.000 2.423 613 S HA 0.011 4.482 4.470 0.002 0.000 0.231 613 S C 1.551 176.158 174.600 0.013 0.000 1.014 613 S CA 1.653 59.861 58.200 0.014 0.000 0.965 613 S CB -0.243 62.964 63.200 0.012 0.000 0.785 613 S HN 0.711 nan 8.310 nan 0.000 0.495 614 I N 0.186 120.768 120.570 0.020 0.000 3.419 614 I HA 0.078 4.249 4.170 0.002 0.000 0.286 614 I C 1.666 177.796 176.117 0.022 0.000 1.268 614 I CA 0.422 61.734 61.300 0.021 0.000 1.414 614 I CB -0.067 37.950 38.000 0.029 0.000 1.074 614 I HN 0.158 nan 8.210 nan 0.000 0.457 615 L N -0.070 121.171 121.223 0.029 0.000 2.446 615 L HA 0.152 4.493 4.340 0.002 0.000 0.219 615 L C 2.172 179.032 176.870 -0.018 0.000 1.116 615 L CA 1.144 55.999 54.840 0.024 0.000 0.844 615 L CB -0.044 42.054 42.059 0.065 0.000 0.970 615 L HN 0.163 nan 8.230 nan 0.000 0.457 616 M N -0.909 118.684 119.600 -0.011 0.000 2.429 616 M HA 0.063 4.544 4.480 0.002 0.000 0.265 616 M C 1.761 178.044 176.300 -0.028 0.000 1.120 616 M CA 0.916 56.204 55.300 -0.021 0.000 1.173 616 M CB -0.054 32.541 32.600 -0.008 0.000 1.343 616 M HN 0.238 nan 8.290 nan 0.000 0.464 617 I N -1.759 118.799 120.570 -0.019 0.000 3.493 617 I HA -0.095 4.076 4.170 0.002 0.000 0.311 617 I C 1.629 177.726 176.117 -0.034 0.000 1.210 617 I CA 0.658 61.945 61.300 -0.021 0.000 1.210 617 I CB -0.296 37.697 38.000 -0.011 0.000 0.993 617 I HN 0.194 nan 8.210 nan 0.000 0.539 618 R N 0.232 120.699 120.500 -0.054 0.000 2.437 618 R HA 0.477 4.818 4.340 0.002 0.000 0.184 618 R C 0.704 176.929 176.300 -0.125 0.000 0.850 618 R CA 0.258 56.306 56.100 -0.086 0.000 1.073 618 R CB 0.313 30.554 30.300 -0.098 0.000 1.336 618 R HN 0.318 nan 8.270 nan 0.000 0.640 619 L N 0.000 121.145 121.223 -0.129 0.000 2.949 619 L HA 0.000 4.341 4.340 0.002 0.000 0.249 619 L CA 0.000 54.752 54.840 -0.146 0.000 0.813 619 L CB 0.000 41.953 42.059 -0.177 0.000 0.961 619 L HN 0.000 nan 8.230 nan 0.000 0.502