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_C 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 0.000 175.247 175.328 -0.135 0.000 0.993 0 H CA 0.000 56.000 56.048 -0.080 0.000 1.023 0 H CB 0.000 29.715 29.762 -0.078 0.000 1.292 1 M N -0.447 119.025 119.600 -0.214 0.000 2.357 1 M HA 0.556 5.036 4.480 -0.000 0.000 0.232 1 M C -0.575 175.492 176.300 -0.388 0.000 0.819 1 M CA -0.848 54.321 55.300 -0.219 0.000 1.630 1 M CB 1.152 33.718 32.600 -0.056 0.000 1.242 1 M HN 0.192 nan 8.290 nan 0.000 0.838 2 Y N 0.786 121.010 120.300 -0.126 0.000 2.374 2 Y HA 0.224 4.774 4.550 -0.000 0.000 0.322 2 Y C 0.890 176.772 175.900 -0.030 0.000 1.275 2 Y CA -0.218 57.814 58.100 -0.114 0.000 1.307 2 Y CB 0.728 39.152 38.460 -0.060 0.000 1.282 2 Y HN 0.562 nan 8.280 nan 0.000 0.509 3 D N 0.036 120.553 120.400 0.196 0.000 2.355 3 D HA 0.057 4.697 4.640 -0.000 0.000 0.233 3 D C -0.494 175.885 176.300 0.133 0.000 0.997 3 D CA 1.106 55.184 54.000 0.129 0.000 0.920 3 D CB 0.093 40.951 40.800 0.096 0.000 1.063 3 D HN 0.126 nan 8.370 nan 0.000 0.465 4 V N 2.594 122.571 119.914 0.105 0.000 2.487 4 V HA 0.348 4.468 4.120 -0.000 0.000 0.298 4 V C -0.025 176.072 176.094 0.004 0.000 1.028 4 V CA -0.880 61.434 62.300 0.025 0.000 0.860 4 V CB 1.923 33.720 31.823 -0.045 0.000 0.991 4 V HN 0.098 nan 8.190 nan 0.000 0.427 5 I N 2.883 123.436 120.570 -0.028 0.000 2.362 5 I HA 0.740 4.910 4.170 -0.000 0.000 0.289 5 I C -0.719 175.344 176.117 -0.089 0.000 0.994 5 I CA -0.673 60.580 61.300 -0.078 0.000 1.158 5 I CB 1.798 39.760 38.000 -0.063 0.000 1.315 5 I HN 0.256 nan 8.210 nan 0.000 0.451 6 V N 7.210 127.071 119.914 -0.087 0.000 2.333 6 V HA 0.273 4.393 4.120 -0.000 0.000 0.274 6 V C 0.412 176.470 176.094 -0.061 0.000 1.028 6 V CA -0.700 61.559 62.300 -0.069 0.000 0.851 6 V CB 1.217 33.005 31.823 -0.058 0.000 1.000 6 V HN 0.681 nan 8.190 nan 0.000 0.456 7 V N 3.146 123.030 119.914 -0.051 0.000 2.498 7 V HA 0.965 5.085 4.120 -0.000 0.000 0.279 7 V C 0.423 176.499 176.094 -0.030 0.000 1.048 7 V CA 0.373 62.646 62.300 -0.046 0.000 0.967 7 V CB 0.535 32.333 31.823 -0.042 0.000 0.988 7 V HN 1.716 nan 8.190 nan 0.000 0.473 8 G N 3.552 112.332 108.800 -0.033 0.000 3.307 8 G HA2 0.336 4.296 3.960 -0.000 0.000 0.686 8 G HA3 0.336 4.296 3.960 -0.000 0.000 0.686 8 G C -0.055 174.839 174.900 -0.011 0.000 0.983 8 G CA -0.192 44.902 45.100 -0.011 0.000 0.804 8 G HN 2.342 nan 8.290 nan 0.000 0.531 9 A N 2.331 125.138 122.820 -0.021 0.000 3.264 9 A HA 0.784 5.104 4.320 -0.000 0.000 0.299 9 A C 1.366 178.923 177.584 -0.044 0.000 1.272 9 A CA 1.072 53.089 52.037 -0.033 0.000 1.030 9 A CB -0.237 18.735 19.000 -0.048 0.000 1.102 9 A HN 2.069 nan 8.150 nan 0.000 0.615 10 G N -0.831 107.956 108.800 -0.021 0.000 2.582 10 G HA2 0.329 4.289 3.960 -0.000 0.000 0.232 10 G HA3 0.329 4.289 3.960 -0.000 0.000 0.232 10 G C 0.608 175.422 174.900 -0.143 0.000 1.458 10 G CA -0.089 44.957 45.100 -0.089 0.000 1.062 10 G HN 0.591 nan 8.290 nan 0.000 0.566 11 H N -0.483 118.634 119.070 0.077 0.000 2.395 11 H HA 0.128 4.684 4.556 -0.000 0.000 0.299 11 H C 2.669 178.047 175.328 0.084 0.000 1.070 11 H CA 1.478 57.579 56.048 0.088 0.000 1.356 11 H CB -0.004 29.826 29.762 0.112 0.000 1.401 11 H HN 0.399 nan 8.280 nan 0.000 0.524 12 A N 0.556 123.490 122.820 0.190 0.000 1.872 12 A HA -0.048 4.272 4.320 -0.000 0.000 0.214 12 A C 2.688 180.319 177.584 0.078 0.000 1.187 12 A CA 1.388 53.502 52.037 0.130 0.000 0.614 12 A CB -1.230 17.843 19.000 0.121 0.000 0.826 12 A HN 0.486 nan 8.150 nan 0.000 0.442 13 G N -0.719 108.113 108.800 0.054 0.000 2.440 13 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.218 13 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.218 13 G C 1.606 176.508 174.900 0.004 0.000 1.154 13 G CA 1.389 46.500 45.100 0.018 0.000 0.767 13 G HN 0.517 nan 8.290 nan 0.000 0.552 14 C N 0.247 119.550 119.300 0.005 0.000 2.455 14 C HA 0.001 4.461 4.460 -0.000 0.000 0.281 14 C C 2.812 177.811 174.990 0.016 0.000 1.237 14 C CA 0.993 60.010 59.018 -0.001 0.000 1.726 14 C CB -0.628 27.109 27.740 -0.005 0.000 2.068 14 C HN 0.479 nan 8.230 nan 0.000 0.466 15 E N 0.975 121.202 120.200 0.045 0.000 2.171 15 E HA -0.191 4.159 4.350 -0.000 0.000 0.197 15 E C 2.250 178.865 176.600 0.025 0.000 0.997 15 E CA 1.587 58.017 56.400 0.050 0.000 0.810 15 E CB -0.619 29.129 29.700 0.081 0.000 0.738 15 E HN 0.693 nan 8.360 nan 0.000 0.467 16 A N 1.652 124.482 122.820 0.016 0.000 1.835 16 A HA -0.066 4.254 4.320 -0.000 0.000 0.215 16 A C 2.493 180.058 177.584 -0.032 0.000 1.199 16 A CA 2.236 54.263 52.037 -0.015 0.000 0.615 16 A CB -0.883 18.106 19.000 -0.017 0.000 0.838 16 A HN 0.284 nan 8.150 nan 0.000 0.444 17 A N -0.488 122.316 122.820 -0.027 0.000 1.908 17 A HA -0.098 4.222 4.320 -0.000 0.000 0.218 17 A C 2.210 179.779 177.584 -0.025 0.000 1.181 17 A CA 1.659 53.677 52.037 -0.032 0.000 0.627 17 A CB -0.696 18.284 19.000 -0.033 0.000 0.818 17 A HN 0.487 nan 8.150 nan 0.000 0.445 18 L N -1.028 120.185 121.223 -0.016 0.000 2.083 18 L HA -0.195 4.145 4.340 -0.000 0.000 0.209 18 L C 3.085 179.948 176.870 -0.013 0.000 1.083 18 L CA 1.041 55.874 54.840 -0.011 0.000 0.752 18 L CB -0.467 41.592 42.059 0.001 0.000 0.899 18 L HN 0.457 nan 8.230 nan 0.000 0.433 19 A N -0.560 122.252 122.820 -0.014 0.000 1.930 19 A HA -0.116 4.204 4.320 -0.000 0.000 0.217 19 A C 2.292 179.853 177.584 -0.037 0.000 1.175 19 A CA 1.458 53.482 52.037 -0.021 0.000 0.627 19 A CB -0.676 18.312 19.000 -0.020 0.000 0.815 19 A HN 0.188 nan 8.150 nan 0.000 0.443 20 V N -0.115 119.771 119.914 -0.046 0.000 2.343 20 V HA -0.226 3.894 4.120 -0.000 0.000 0.247 20 V C 3.011 179.086 176.094 -0.031 0.000 1.051 20 V CA 1.918 64.189 62.300 -0.049 0.000 1.036 20 V CB -1.235 30.556 31.823 -0.053 0.000 0.654 20 V HN 0.610 nan 8.190 nan 0.000 0.451 21 A N 0.288 123.092 122.820 -0.027 0.000 1.841 21 A HA -0.188 4.132 4.320 -0.000 0.000 0.214 21 A C 2.334 179.899 177.584 -0.033 0.000 1.195 21 A CA 1.684 53.704 52.037 -0.029 0.000 0.611 21 A CB -0.527 18.456 19.000 -0.029 0.000 0.835 21 A HN 0.474 nan 8.150 nan 0.000 0.443 22 R N -0.522 119.961 120.500 -0.028 0.000 2.193 22 R HA -0.078 4.262 4.340 -0.000 0.000 0.229 22 R C 1.824 178.102 176.300 -0.037 0.000 1.110 22 R CA 0.811 56.895 56.100 -0.028 0.000 0.988 22 R CB -0.449 29.840 30.300 -0.018 0.000 0.871 22 R HN 0.507 nan 8.270 nan 0.000 0.458 23 G N -0.294 108.483 108.800 -0.039 0.000 3.061 23 G HA2 0.144 4.104 3.960 -0.000 0.000 0.208 23 G HA3 0.144 4.104 3.960 -0.000 0.000 0.208 23 G C 0.726 175.602 174.900 -0.040 0.000 1.175 23 G CA 0.247 45.320 45.100 -0.046 0.000 0.812 23 G HN 0.419 nan 8.290 nan 0.000 0.523 24 G N -0.971 107.806 108.800 -0.037 0.000 2.246 24 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.273 24 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.273 24 G C -0.149 174.738 174.900 -0.022 0.000 1.055 24 G CA 0.240 45.320 45.100 -0.033 0.000 0.851 24 G HN 0.456 nan 8.290 nan 0.000 0.500 25 L N -0.345 120.870 121.223 -0.014 0.000 2.370 25 L HA 0.568 4.907 4.340 -0.000 0.000 0.266 25 L C 0.423 177.324 176.870 0.052 0.000 1.002 25 L CA -1.386 53.465 54.840 0.019 0.000 0.818 25 L CB 1.648 43.720 42.059 0.021 0.000 1.325 25 L HN 0.279 nan 8.230 nan 0.000 0.418 26 H N 1.747 120.834 119.070 0.027 0.000 2.975 26 H HA 0.150 4.706 4.556 -0.000 0.000 0.303 26 H C -0.782 174.641 175.328 0.159 0.000 1.023 26 H CA 0.225 56.321 56.048 0.079 0.000 1.473 26 H CB 0.737 30.517 29.762 0.030 0.000 1.498 26 H HN 0.603 nan 8.280 nan 0.000 0.549 27 C N 6.436 125.969 119.300 0.387 0.000 2.498 27 C HA 0.502 4.962 4.460 -0.000 0.000 0.316 27 C C -0.860 174.193 174.990 0.105 0.000 1.209 27 C CA -0.954 58.183 59.018 0.197 0.000 1.518 27 C CB 0.146 27.924 27.740 0.063 0.000 2.147 27 C HN 0.751 nan 8.230 nan 0.000 0.483 28 L N 6.382 127.512 121.223 -0.155 0.000 2.318 28 L HA 0.637 4.976 4.340 -0.000 0.000 0.277 28 L C -0.831 175.911 176.870 -0.214 0.000 1.008 28 L CA -0.261 54.353 54.840 -0.378 0.000 0.846 28 L CB 1.233 42.674 42.059 -1.030 0.000 1.220 28 L HN 0.723 nan 8.230 nan 0.000 0.423 29 L N 6.753 127.894 121.223 -0.137 0.000 2.295 29 L HA 0.496 4.836 4.340 -0.000 0.000 0.288 29 L C -0.657 176.153 176.870 -0.101 0.000 1.079 29 L CA 0.367 55.148 54.840 -0.098 0.000 0.830 29 L CB 0.286 42.303 42.059 -0.069 0.000 1.200 29 L HN 0.521 nan 8.230 nan 0.000 0.438 30 I N 4.592 125.105 120.570 -0.096 0.000 2.321 30 I HA 0.447 4.617 4.170 -0.000 0.000 0.291 30 I C 0.151 176.222 176.117 -0.076 0.000 0.998 30 I CA -0.205 61.043 61.300 -0.086 0.000 1.227 30 I CB 1.647 39.598 38.000 -0.082 0.000 1.368 30 I HN 0.608 nan 8.210 nan 0.000 0.466 31 T N 2.226 116.732 114.554 -0.080 0.000 2.932 31 T HA 0.223 4.573 4.350 -0.000 0.000 0.318 31 T C 0.674 175.308 174.700 -0.109 0.000 1.265 31 T CA -0.529 61.515 62.100 -0.093 0.000 1.036 31 T CB 1.636 70.456 68.868 -0.080 0.000 1.209 31 T HN 0.500 nan 8.240 nan 0.000 0.484 32 S N 2.255 117.861 115.700 -0.157 0.000 2.447 32 S HA 0.080 4.550 4.470 -0.000 0.000 0.233 32 S C 0.331 174.849 174.600 -0.136 0.000 1.006 32 S CA 0.662 58.761 58.200 -0.169 0.000 0.957 32 S CB -0.151 62.887 63.200 -0.270 0.000 0.773 32 S HN 0.776 nan 8.310 nan 0.000 0.507 33 D N -0.574 119.752 120.400 -0.124 0.000 2.470 33 D HA 0.315 4.955 4.640 -0.000 0.000 0.233 33 D C -0.005 176.259 176.300 -0.060 0.000 1.372 33 D CA -0.379 53.571 54.000 -0.084 0.000 0.994 33 D CB 0.718 41.471 40.800 -0.079 0.000 1.377 33 D HN -0.178 nan 8.370 nan 0.000 0.586 34 L N 1.910 123.103 121.223 -0.051 0.000 2.291 34 L HA 0.019 4.359 4.340 -0.000 0.000 0.214 34 L C 2.114 178.965 176.870 -0.032 0.000 1.120 34 L CA 1.096 55.910 54.840 -0.043 0.000 0.799 34 L CB -0.268 41.765 42.059 -0.044 0.000 0.925 34 L HN 0.341 nan 8.230 nan 0.000 0.446 35 S N -0.535 115.150 115.700 -0.025 0.000 2.500 35 S HA -0.009 4.461 4.470 -0.000 0.000 0.239 35 S C 1.542 176.141 174.600 -0.003 0.000 0.989 35 S CA 0.868 59.060 58.200 -0.012 0.000 0.951 35 S CB -0.189 63.006 63.200 -0.008 0.000 0.759 35 S HN 0.433 nan 8.310 nan 0.000 0.523 36 A N 0.982 123.798 122.820 -0.007 0.000 2.606 36 A HA 0.496 4.815 4.320 -0.000 0.000 0.290 36 A C 0.542 178.124 177.584 -0.003 0.000 1.174 36 A CA -0.470 51.573 52.037 0.010 0.000 0.958 36 A CB -0.069 18.950 19.000 0.033 0.000 1.194 36 A HN 0.350 nan 8.150 nan 0.000 0.526 37 V N -1.752 118.148 119.914 -0.023 0.000 2.763 37 V HA 0.445 4.564 4.120 -0.000 0.000 0.306 37 V C 0.944 177.000 176.094 -0.063 0.000 1.059 37 V CA 0.270 62.542 62.300 -0.045 0.000 1.138 37 V CB 0.149 31.941 31.823 -0.052 0.000 0.940 37 V HN 1.969 nan 8.190 nan 0.000 0.489 38 A N 2.730 125.464 122.820 -0.143 0.000 2.744 38 A HA -0.286 4.034 4.320 -0.000 0.000 0.300 38 A C 1.033 178.503 177.584 -0.189 0.000 1.512 38 A CA 1.571 53.427 52.037 -0.302 0.000 0.851 38 A CB -1.919 17.001 19.000 -0.133 0.000 0.987 38 A HN 1.509 nan 8.150 nan 0.000 0.507 39 R N -0.325 120.118 120.500 -0.094 0.000 2.570 39 R HA 0.328 4.668 4.340 -0.000 0.000 0.277 39 R C 0.547 176.830 176.300 -0.029 0.000 1.039 39 R CA 0.075 56.165 56.100 -0.016 0.000 1.065 39 R CB 0.089 30.413 30.300 0.040 0.000 0.964 39 R HN 0.524 nan 8.270 nan 0.000 0.428 40 M N 4.764 124.309 119.600 -0.093 0.000 2.664 40 M HA 0.100 4.580 4.480 -0.000 0.000 0.332 40 M C 0.783 177.108 176.300 0.040 0.000 1.354 40 M CA -0.141 55.032 55.300 -0.211 0.000 1.399 40 M CB 1.290 33.627 32.600 -0.440 0.000 1.224 40 M HN 0.699 nan 8.290 nan 0.000 0.479 41 S N 0.438 116.236 115.700 0.164 0.000 2.400 41 S HA -0.119 4.351 4.470 -0.000 0.000 0.232 41 S C 1.376 176.070 174.600 0.157 0.000 1.025 41 S CA 0.912 59.205 58.200 0.156 0.000 0.993 41 S CB 0.004 63.283 63.200 0.132 0.000 0.808 41 S HN 0.874 nan 8.310 nan 0.000 0.478 42 C N 0.700 120.123 119.300 0.204 0.000 3.106 42 C HA 0.354 4.814 4.460 -0.000 0.000 0.108 42 C C 0.547 175.558 174.990 0.036 0.000 2.515 42 C CA -0.586 58.525 59.018 0.155 0.000 1.060 42 C CB -0.636 27.123 27.740 0.031 0.000 1.835 42 C HN 0.374 nan 8.230 nan 0.000 0.578 43 N N 2.135 120.741 118.700 -0.157 0.000 2.483 43 N HA 0.162 4.902 4.740 -0.000 0.000 0.264 43 N C -2.347 172.924 175.510 -0.399 0.000 1.197 43 N CA -0.301 52.395 53.050 -0.589 0.000 0.927 43 N CB 1.056 39.321 38.487 -0.370 0.000 1.065 43 N HN 0.441 nan 8.380 nan 0.000 0.461 44 P HA 0.221 nan 4.420 nan 0.000 0.228 44 P C -1.249 175.871 177.300 -0.300 0.000 1.764 44 P CA -0.032 62.861 63.100 -0.344 0.000 0.929 44 P CB 0.012 31.541 31.700 -0.285 0.000 1.675 45 A N 0.309 122.961 122.820 -0.279 0.000 2.606 45 A HA 0.763 5.083 4.320 -0.000 0.000 0.293 45 A C -1.413 176.035 177.584 -0.227 0.000 1.082 45 A CA -0.636 51.241 52.037 -0.268 0.000 0.685 45 A CB 1.261 20.104 19.000 -0.261 0.000 1.284 45 A HN 0.084 nan 8.150 nan 0.000 0.408 46 I N 0.957 121.362 120.570 -0.276 0.000 2.498 46 I HA 0.645 4.815 4.170 -0.000 0.000 0.290 46 I C 0.617 176.639 176.117 -0.159 0.000 1.032 46 I CA 0.501 61.654 61.300 -0.245 0.000 1.073 46 I CB 2.112 39.898 38.000 -0.358 0.000 1.251 46 I HN 1.530 nan 8.210 nan 0.000 0.426 47 G N 3.754 112.526 108.800 -0.046 0.000 2.447 47 G HA2 0.400 4.360 3.960 -0.000 0.000 0.220 47 G HA3 0.400 4.360 3.960 -0.000 0.000 0.220 47 G C -0.237 174.643 174.900 -0.032 0.000 1.261 47 G CA -0.118 45.031 45.100 0.081 0.000 1.000 47 G HN 1.561 nan 8.290 nan 0.000 0.515 48 G N -3.116 105.660 108.800 -0.039 0.000 2.318 48 G HA2 0.334 4.294 3.960 -0.000 0.000 0.367 48 G HA3 0.334 4.294 3.960 -0.000 0.000 0.367 48 G C 0.903 175.759 174.900 -0.073 0.000 1.260 48 G CA 0.745 45.794 45.100 -0.086 0.000 1.055 48 G HN 1.913 nan 8.290 nan 0.000 0.484 49 V N 0.809 120.691 119.914 -0.054 0.000 2.217 49 V HA -0.030 4.090 4.120 -0.000 0.000 0.248 49 V C 3.355 179.425 176.094 -0.040 0.000 1.050 49 V CA 4.127 66.416 62.300 -0.018 0.000 1.007 49 V CB -1.282 30.572 31.823 0.051 0.000 0.639 49 V HN 1.876 nan 8.190 nan 0.000 0.452 50 A N -1.241 121.570 122.820 -0.016 0.000 2.081 50 A HA -0.003 4.317 4.320 -0.000 0.000 0.214 50 A C 2.136 179.630 177.584 -0.150 0.000 1.158 50 A CA 0.821 52.809 52.037 -0.081 0.000 0.724 50 A CB -0.254 18.786 19.000 0.068 0.000 0.826 50 A HN 0.566 nan 8.150 nan 0.000 0.463 51 K N -0.165 120.189 120.400 -0.077 0.000 2.155 51 K HA -0.029 4.291 4.320 -0.000 0.000 0.203 51 K C 2.057 178.646 176.600 -0.019 0.000 1.052 51 K CA 0.952 57.210 56.287 -0.048 0.000 0.948 51 K CB -0.276 32.192 32.500 -0.053 0.000 0.728 51 K HN 0.419 nan 8.250 nan 0.000 0.448 52 G N 1.295 110.069 108.800 -0.043 0.000 2.433 52 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.216 52 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.216 52 G C 1.360 176.202 174.900 -0.098 0.000 1.186 52 G CA 0.671 45.750 45.100 -0.035 0.000 0.779 52 G HN 0.199 nan 8.290 nan 0.000 0.543 53 Q N -0.149 119.523 119.800 -0.214 0.000 2.084 53 Q HA 0.026 4.366 4.340 -0.000 0.000 0.202 53 Q C 2.408 178.339 176.000 -0.115 0.000 0.978 53 Q CA 1.075 56.730 55.803 -0.247 0.000 0.844 53 Q CB -0.365 27.931 28.738 -0.736 0.000 0.898 53 Q HN 0.611 nan 8.270 nan 0.000 0.426 54 I N -0.171 120.330 120.570 -0.116 0.000 2.546 54 I HA -0.232 3.938 4.170 -0.000 0.000 0.255 54 I C 1.159 177.333 176.117 0.094 0.000 1.163 54 I CA 1.060 62.380 61.300 0.033 0.000 1.457 54 I CB 0.056 38.090 38.000 0.056 0.000 1.092 54 I HN 0.217 nan 8.210 nan 0.000 0.434 55 T N 0.945 115.566 114.554 0.112 0.000 2.701 55 T HA -0.106 4.244 4.350 -0.000 0.000 0.263 55 T C 1.953 176.779 174.700 0.209 0.000 1.040 55 T CA 1.092 63.303 62.100 0.186 0.000 1.147 55 T CB -0.235 68.826 68.868 0.321 0.000 0.865 55 T HN 0.374 nan 8.240 nan 0.000 0.426 56 R N 1.165 121.773 120.500 0.181 0.000 2.127 56 R HA -0.076 4.264 4.340 -0.000 0.000 0.238 56 R C 2.410 178.880 176.300 0.282 0.000 1.134 56 R CA 1.266 57.467 56.100 0.168 0.000 0.975 56 R CB -0.281 30.065 30.300 0.076 0.000 0.865 56 R HN 0.584 nan 8.270 nan 0.000 0.447 57 E N 0.560 120.892 120.200 0.220 0.000 2.106 57 E HA -0.119 4.231 4.350 -0.000 0.000 0.192 57 E C 2.035 178.746 176.600 0.185 0.000 0.984 57 E CA 0.764 57.290 56.400 0.210 0.000 0.806 57 E CB -0.081 29.730 29.700 0.185 0.000 0.750 57 E HN 0.309 nan 8.360 nan 0.000 0.458 58 I N 1.272 121.944 120.570 0.170 0.000 2.179 58 I HA -0.286 3.884 4.170 -0.000 0.000 0.242 58 I C 2.219 178.434 176.117 0.163 0.000 1.088 58 I CA 1.425 62.816 61.300 0.151 0.000 1.357 58 I CB -0.154 37.929 38.000 0.139 0.000 1.051 58 I HN 0.069 nan 8.210 nan 0.000 0.409 59 D N 0.680 121.199 120.400 0.199 0.000 2.092 59 D HA -0.201 4.439 4.640 -0.000 0.000 0.193 59 D C 2.214 178.666 176.300 0.255 0.000 0.994 59 D CA 1.571 55.705 54.000 0.223 0.000 0.828 59 D CB -0.001 40.945 40.800 0.244 0.000 0.963 59 D HN 0.308 nan 8.370 nan 0.000 0.450 60 A N -0.097 122.909 122.820 0.310 0.000 1.986 60 A HA -0.145 4.175 4.320 -0.000 0.000 0.220 60 A C 2.213 179.863 177.584 0.111 0.000 1.171 60 A CA 1.125 53.277 52.037 0.191 0.000 0.640 60 A CB -0.763 18.322 19.000 0.141 0.000 0.811 60 A HN 0.397 nan 8.150 nan 0.000 0.451 61 L N -1.748 119.547 121.223 0.119 0.000 2.492 61 L HA 0.206 4.546 4.340 -0.000 0.000 0.223 61 L C 1.466 178.385 176.870 0.081 0.000 1.132 61 L CA 0.579 55.473 54.840 0.090 0.000 0.850 61 L CB -0.013 42.099 42.059 0.089 0.000 0.966 61 L HN 0.605 nan 8.230 nan 0.000 0.454 62 G N -0.082 108.777 108.800 0.097 0.000 2.173 62 G HA2 -0.144 3.816 3.960 -0.000 0.000 0.174 62 G HA3 -0.144 3.816 3.960 -0.000 0.000 0.174 62 G C 0.266 175.213 174.900 0.078 0.000 1.025 62 G CA -0.325 44.825 45.100 0.083 0.000 0.706 62 G HN 0.458 nan 8.290 nan 0.000 0.499 63 G N -1.194 107.663 108.800 0.096 0.000 2.511 63 G HA2 0.604 4.564 3.960 -0.000 0.000 0.316 63 G HA3 0.604 4.564 3.960 -0.000 0.000 0.316 63 G C 0.565 175.524 174.900 0.098 0.000 1.210 63 G CA -0.018 45.136 45.100 0.091 0.000 0.969 63 G HN 0.040 nan 8.290 nan 0.000 0.492 64 E N -0.046 120.211 120.200 0.095 0.000 2.190 64 E HA -0.037 4.313 4.350 -0.000 0.000 0.191 64 E C 2.363 179.014 176.600 0.086 0.000 0.978 64 E CA 0.158 56.621 56.400 0.104 0.000 0.839 64 E CB -0.140 29.625 29.700 0.108 0.000 0.787 64 E HN 0.579 nan 8.360 nan 0.000 0.473 65 M N 0.254 119.913 119.600 0.097 0.000 2.143 65 M HA -0.167 4.313 4.480 -0.000 0.000 0.258 65 M C 1.879 178.191 176.300 0.021 0.000 1.071 65 M CA 2.161 57.520 55.300 0.098 0.000 1.088 65 M CB -0.274 32.410 32.600 0.140 0.000 1.360 65 M HN 0.105 nan 8.290 nan 0.000 0.404 66 G N 0.344 109.177 108.800 0.054 0.000 2.453 66 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.215 66 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.215 66 G C 1.448 176.350 174.900 0.003 0.000 1.201 66 G CA 1.088 46.228 45.100 0.065 0.000 0.784 66 G HN 0.488 nan 8.290 nan 0.000 0.545 67 K N 0.732 121.137 120.400 0.008 0.000 2.063 67 K HA -0.001 4.319 4.320 -0.000 0.000 0.208 67 K C 2.912 179.344 176.600 -0.281 0.000 1.048 67 K CA 1.122 57.385 56.287 -0.041 0.000 0.928 67 K CB -0.293 32.247 32.500 0.067 0.000 0.713 67 K HN 0.267 nan 8.250 nan 0.000 0.442 68 A N 1.228 123.803 122.820 -0.407 0.000 1.908 68 A HA -0.189 4.131 4.320 -0.000 0.000 0.218 68 A C 2.156 179.406 177.584 -0.557 0.000 1.181 68 A CA 1.547 53.046 52.037 -0.895 0.000 0.627 68 A CB -0.455 18.108 19.000 -0.727 0.000 0.818 68 A HN 0.317 nan 8.150 nan 0.000 0.445 69 I N -0.556 119.853 120.570 -0.267 0.000 2.761 69 I HA -0.077 4.093 4.170 -0.000 0.000 0.261 69 I C 1.142 177.235 176.117 -0.040 0.000 1.198 69 I CA 1.286 62.459 61.300 -0.211 0.000 1.482 69 I CB -0.176 37.533 38.000 -0.485 0.000 1.100 69 I HN 0.172 nan 8.210 nan 0.000 0.445 70 D N 0.734 121.138 120.400 0.006 0.000 2.183 70 D HA -0.006 4.634 4.640 -0.000 0.000 0.203 70 D C 2.226 178.539 176.300 0.023 0.000 0.969 70 D CA 1.304 55.385 54.000 0.136 0.000 0.842 70 D CB -0.052 40.772 40.800 0.039 0.000 0.957 70 D HN 0.442 nan 8.370 nan 0.000 0.484 71 A N -0.431 122.299 122.820 -0.149 0.000 2.014 71 A HA -0.029 4.291 4.320 -0.000 0.000 0.218 71 A C 1.901 179.421 177.584 -0.106 0.000 1.163 71 A CA 1.321 53.251 52.037 -0.178 0.000 0.652 71 A CB 0.047 18.774 19.000 -0.455 0.000 0.808 71 A HN 0.171 nan 8.150 nan 0.000 0.449 72 T N -0.759 113.731 114.554 -0.106 0.000 3.058 72 T HA 0.314 4.664 4.350 -0.000 0.000 0.278 72 T C 0.878 175.575 174.700 -0.006 0.000 0.974 72 T CA 0.210 62.280 62.100 -0.051 0.000 0.893 72 T CB 0.412 69.231 68.868 -0.082 0.000 1.138 72 T HN 0.479 nan 8.240 nan 0.000 0.529 73 G N 0.599 109.430 108.800 0.053 0.000 2.554 73 G HA2 0.433 4.393 3.960 -0.000 0.000 0.238 73 G HA3 0.433 4.393 3.960 -0.000 0.000 0.238 73 G C 0.497 175.426 174.900 0.048 0.000 1.259 73 G CA -0.154 44.931 45.100 -0.024 0.000 0.843 73 G HN 0.380 nan 8.290 nan 0.000 0.582 74 I N -0.531 120.004 120.570 -0.059 0.000 3.812 74 I HA 0.162 4.331 4.170 -0.000 0.000 0.292 74 I C 0.837 176.966 176.117 0.021 0.000 1.206 74 I CA 0.299 61.597 61.300 -0.002 0.000 1.370 74 I CB 0.527 38.507 38.000 -0.033 0.000 1.328 74 I HN 0.642 nan 8.210 nan 0.000 0.453 75 Q N 0.442 120.210 119.800 -0.054 0.000 2.289 75 Q HA 0.424 4.764 4.340 -0.000 0.000 0.270 75 Q C -1.744 174.211 176.000 -0.075 0.000 1.038 75 Q CA -0.545 55.263 55.803 0.008 0.000 0.812 75 Q CB 1.796 30.520 28.738 -0.022 0.000 1.300 75 Q HN -0.072 nan 8.270 nan 0.000 0.427 76 F N 1.741 121.685 119.950 -0.011 0.000 2.420 76 F HA 0.619 5.146 4.527 -0.000 0.000 0.342 76 F C 0.138 175.929 175.800 -0.015 0.000 1.113 76 F CA -0.486 57.519 58.000 0.007 0.000 1.059 76 F CB 1.945 40.956 39.000 0.018 0.000 1.128 76 F HN 0.586 nan 8.300 nan 0.000 0.475 77 R N 3.686 124.249 120.500 0.104 0.000 2.510 77 R HA 0.450 4.790 4.340 -0.000 0.000 0.287 77 R C -1.392 174.909 176.300 0.002 0.000 1.084 77 R CA -0.911 55.210 56.100 0.036 0.000 0.934 77 R CB 1.442 31.732 30.300 -0.016 0.000 1.201 77 R HN 0.695 nan 8.270 nan 0.000 0.431 78 M N 5.278 124.878 119.600 0.000 0.000 2.162 78 M HA 0.338 4.818 4.480 -0.000 0.000 0.356 78 M C -1.356 174.937 176.300 -0.011 0.000 1.303 78 M CA 0.027 55.313 55.300 -0.024 0.000 1.116 78 M CB 0.700 33.304 32.600 0.008 0.000 1.632 78 M HN 0.513 nan 8.290 nan 0.000 0.469 79 L N 5.357 126.557 121.223 -0.038 0.000 2.379 79 L HA 0.432 4.772 4.340 -0.000 0.000 0.269 79 L C 0.191 177.030 176.870 -0.053 0.000 1.084 79 L CA -0.867 53.944 54.840 -0.049 0.000 0.802 79 L CB 0.732 42.747 42.059 -0.074 0.000 1.175 79 L HN 0.852 nan 8.230 nan 0.000 0.448 80 N N 1.482 120.138 118.700 -0.073 0.000 2.663 80 N HA -0.184 4.556 4.740 -0.000 0.000 0.263 80 N C 0.615 175.985 175.510 -0.233 0.000 1.109 80 N CA 0.558 53.529 53.050 -0.131 0.000 0.701 80 N CB -0.722 37.678 38.487 -0.144 0.000 0.879 80 N HN 0.613 nan 8.380 nan 0.000 0.550 81 R N 0.185 120.621 120.500 -0.108 0.000 2.075 81 R HA 0.129 4.469 4.340 -0.000 0.000 0.226 81 R C 1.715 177.982 176.300 -0.056 0.000 1.114 81 R CA 1.503 57.587 56.100 -0.027 0.000 0.972 81 R CB 0.063 30.397 30.300 0.056 0.000 0.869 81 R HN 0.305 nan 8.270 nan 0.000 0.437 82 S N 0.634 116.300 115.700 -0.057 0.000 2.453 82 S HA -0.004 4.466 4.470 -0.000 0.000 0.231 82 S C 0.448 175.012 174.600 -0.059 0.000 1.005 82 S CA 0.770 58.953 58.200 -0.028 0.000 0.949 82 S CB 0.048 63.239 63.200 -0.016 0.000 0.774 82 S HN 0.167 nan 8.310 nan 0.000 0.510 83 K N 1.356 121.668 120.400 -0.146 0.000 2.273 83 K HA 0.415 4.735 4.320 -0.000 0.000 0.240 83 K C 0.852 177.335 176.600 -0.194 0.000 1.056 83 K CA -0.246 55.953 56.287 -0.147 0.000 0.910 83 K CB -0.381 32.027 32.500 -0.154 0.000 1.196 83 K HN 0.186 nan 8.250 nan 0.000 0.509 84 G N 0.273 109.006 108.800 -0.111 0.000 2.547 84 G HA2 0.225 4.185 3.960 -0.000 0.000 0.291 84 G HA3 0.225 4.185 3.960 -0.000 0.000 0.291 84 G C -1.768 173.132 174.900 0.000 0.000 1.211 84 G CA -1.277 43.809 45.100 -0.023 0.000 0.950 84 G HN 0.182 nan 8.290 nan 0.000 0.504 85 P HA -0.219 nan 4.420 nan 0.000 0.218 85 P C 1.867 179.180 177.300 0.021 0.000 1.150 85 P CA 2.273 65.428 63.100 0.092 0.000 0.841 85 P CB 0.203 31.757 31.700 -0.243 0.000 0.784 86 A N -2.110 120.664 122.820 -0.076 0.000 2.067 86 A HA -0.059 4.261 4.320 -0.000 0.000 0.217 86 A C 1.975 179.578 177.584 0.032 0.000 1.156 86 A CA 1.248 53.275 52.037 -0.017 0.000 0.683 86 A CB -0.863 18.108 19.000 -0.049 0.000 0.808 86 A HN 0.059 nan 8.150 nan 0.000 0.455 87 M N -0.789 118.800 119.600 -0.018 0.000 2.516 87 M HA 0.119 4.599 4.480 -0.000 0.000 0.259 87 M C -0.087 176.179 176.300 -0.057 0.000 1.146 87 M CA 0.252 55.522 55.300 -0.050 0.000 1.122 87 M CB -1.082 31.449 32.600 -0.115 0.000 1.341 87 M HN 0.417 nan 8.290 nan 0.000 0.478 88 H N 0.948 120.032 119.070 0.023 0.000 3.145 88 H HA 0.086 4.642 4.556 -0.000 0.000 0.288 88 H C -0.211 175.142 175.328 0.041 0.000 0.969 88 H CA 0.572 56.648 56.048 0.047 0.000 1.444 88 H CB 0.230 30.061 29.762 0.115 0.000 1.500 88 H HN 0.025 nan 8.280 nan 0.000 0.552 89 S N 6.526 122.250 115.700 0.039 0.000 2.756 89 S HA 0.233 4.703 4.470 -0.000 0.000 0.303 89 S C -2.650 171.846 174.600 -0.174 0.000 1.135 89 S CA -1.420 56.733 58.200 -0.079 0.000 1.066 89 S CB 1.652 64.811 63.200 -0.067 0.000 1.008 89 S HN 0.475 nan 8.310 nan 0.000 0.482 90 P HA 0.395 nan 4.420 nan 0.000 0.280 90 P C -0.704 176.478 177.300 -0.196 0.000 1.244 90 P CA -0.518 62.300 63.100 -0.471 0.000 0.784 90 P CB 0.715 31.790 31.700 -1.043 0.000 0.913 91 R N 2.018 122.521 120.500 0.005 0.000 2.536 91 R HA 0.698 5.038 4.340 -0.000 0.000 0.269 91 R C -2.031 174.276 176.300 0.011 0.000 1.113 91 R CA -0.594 55.578 56.100 0.121 0.000 0.948 91 R CB 1.493 31.766 30.300 -0.045 0.000 1.237 91 R HN 0.530 nan 8.270 nan 0.000 0.441 92 A N 3.227 125.954 122.820 -0.155 0.000 2.475 92 A HA 0.506 4.826 4.320 -0.000 0.000 0.301 92 A C -1.240 176.089 177.584 -0.424 0.000 1.059 92 A CA -0.833 50.897 52.037 -0.512 0.000 0.710 92 A CB 2.042 20.277 19.000 -1.276 0.000 1.288 92 A HN 0.596 nan 8.150 nan 0.000 0.408 93 Q N 0.566 120.147 119.800 -0.364 0.000 2.314 93 Q HA 0.512 4.851 4.340 -0.000 0.000 0.258 93 Q C 0.118 175.953 176.000 -0.276 0.000 0.954 93 Q CA 0.143 55.784 55.803 -0.269 0.000 0.890 93 Q CB 1.539 30.173 28.738 -0.173 0.000 1.210 93 Q HN 0.838 nan 8.270 nan 0.000 0.410 94 A N 2.275 124.952 122.820 -0.238 0.000 2.306 94 A HA 0.245 4.565 4.320 -0.000 0.000 0.330 94 A C -0.292 177.230 177.584 -0.103 0.000 1.146 94 A CA -0.642 51.287 52.037 -0.180 0.000 0.827 94 A CB 0.745 19.604 19.000 -0.235 0.000 1.178 94 A HN 0.683 nan 8.150 nan 0.000 0.490 95 D N 1.457 121.834 120.400 -0.037 0.000 2.374 95 D HA 0.103 4.743 4.640 -0.000 0.000 0.240 95 D C 0.769 177.078 176.300 0.014 0.000 1.229 95 D CA -0.081 53.915 54.000 -0.006 0.000 0.895 95 D CB 0.617 41.427 40.800 0.016 0.000 1.046 95 D HN 0.489 nan 8.370 nan 0.000 0.498 96 K N 1.483 121.871 120.400 -0.020 0.000 2.020 96 K HA -0.186 4.134 4.320 -0.000 0.000 0.212 96 K C 1.887 178.511 176.600 0.039 0.000 1.050 96 K CA 1.605 57.873 56.287 -0.031 0.000 0.929 96 K CB -0.396 32.080 32.500 -0.039 0.000 0.714 96 K HN 0.444 nan 8.250 nan 0.000 0.443 97 T N -0.004 114.574 114.554 0.039 0.000 2.821 97 T HA -0.172 4.178 4.350 -0.000 0.000 0.267 97 T C 2.006 176.745 174.700 0.065 0.000 1.046 97 T CA 1.388 63.518 62.100 0.049 0.000 1.139 97 T CB 0.050 68.940 68.868 0.037 0.000 0.871 97 T HN 0.058 nan 8.240 nan 0.000 0.454 98 Q N -0.750 119.090 119.800 0.067 0.000 2.230 98 Q HA 0.079 4.419 4.340 -0.000 0.000 0.202 98 Q C 1.735 177.790 176.000 0.092 0.000 0.963 98 Q CA 1.221 57.065 55.803 0.068 0.000 0.866 98 Q CB -0.580 28.188 28.738 0.051 0.000 0.931 98 Q HN 0.839 nan 8.270 nan 0.000 0.452 99 Y N -0.428 119.858 120.300 -0.024 0.000 2.163 99 Y HA -0.221 4.328 4.550 -0.000 0.000 0.288 99 Y C 2.534 178.443 175.900 0.016 0.000 1.136 99 Y CA 1.862 59.939 58.100 -0.039 0.000 1.147 99 Y CB -0.487 37.907 38.460 -0.110 0.000 0.987 99 Y HN 0.194 nan 8.280 nan 0.000 0.509 100 S N -0.184 115.656 115.700 0.233 0.000 2.383 100 S HA -0.181 4.289 4.470 -0.000 0.000 0.229 100 S C 1.925 176.546 174.600 0.034 0.000 1.030 100 S CA 1.537 59.813 58.200 0.126 0.000 1.002 100 S CB -0.608 62.646 63.200 0.089 0.000 0.829 100 S HN 0.402 nan 8.310 nan 0.000 0.467 101 L N 0.566 121.814 121.223 0.043 0.000 2.046 101 L HA 0.054 4.394 4.340 -0.000 0.000 0.208 101 L C 2.210 179.084 176.870 0.007 0.000 1.077 101 L CA 1.936 56.788 54.840 0.022 0.000 0.747 101 L CB -1.465 40.614 42.059 0.033 0.000 0.896 101 L HN 0.548 nan 8.230 nan 0.000 0.432 102 Y N -1.075 119.155 120.300 -0.117 0.000 2.128 102 Y HA -0.323 4.227 4.550 -0.000 0.000 0.284 102 Y C 2.541 178.341 175.900 -0.166 0.000 1.154 102 Y CA 1.754 59.763 58.100 -0.150 0.000 1.149 102 Y CB -0.035 38.291 38.460 -0.224 0.000 0.976 102 Y HN 0.074 nan 8.280 nan 0.000 0.505 103 M N 0.231 119.816 119.600 -0.025 0.000 2.159 103 M HA -0.203 4.277 4.480 -0.000 0.000 0.263 103 M C 2.326 178.558 176.300 -0.113 0.000 1.063 103 M CA 1.686 56.936 55.300 -0.082 0.000 1.110 103 M CB -1.172 31.367 32.600 -0.102 0.000 1.374 103 M HN 0.361 nan 8.290 nan 0.000 0.411 104 R N -0.065 120.379 120.500 -0.092 0.000 2.066 104 R HA -0.130 4.210 4.340 -0.000 0.000 0.232 104 R C 2.359 178.601 176.300 -0.096 0.000 1.131 104 R CA 1.486 57.537 56.100 -0.081 0.000 0.955 104 R CB -0.151 30.115 30.300 -0.058 0.000 0.851 104 R HN 0.206 nan 8.270 nan 0.000 0.432 105 R N 0.211 120.644 120.500 -0.111 0.000 2.113 105 R HA -0.161 4.179 4.340 -0.000 0.000 0.244 105 R C 2.166 178.462 176.300 -0.007 0.000 1.142 105 R CA 2.007 58.073 56.100 -0.057 0.000 0.953 105 R CB -0.220 30.000 30.300 -0.133 0.000 0.860 105 R HN 0.262 nan 8.270 nan 0.000 0.438 106 I N -0.081 120.370 120.570 -0.198 0.000 2.202 106 I HA -0.191 3.979 4.170 -0.000 0.000 0.242 106 I C 2.357 178.437 176.117 -0.061 0.000 1.091 106 I CA 1.085 62.289 61.300 -0.160 0.000 1.368 106 I CB -1.145 36.701 38.000 -0.257 0.000 1.058 106 I HN 0.041 nan 8.210 nan 0.000 0.410 107 V N 1.051 120.920 119.914 -0.075 0.000 2.407 107 V HA -0.239 3.881 4.120 -0.000 0.000 0.248 107 V C 2.387 178.439 176.094 -0.069 0.000 1.055 107 V CA 1.632 63.897 62.300 -0.060 0.000 1.049 107 V CB -0.660 31.126 31.823 -0.061 0.000 0.662 107 V HN 0.441 nan 8.190 nan 0.000 0.455 108 E N -1.050 119.089 120.200 -0.102 0.000 2.347 108 E HA -0.145 4.205 4.350 -0.000 0.000 0.196 108 E C 1.555 177.993 176.600 -0.271 0.000 1.008 108 E CA 0.746 57.034 56.400 -0.186 0.000 0.852 108 E CB -0.042 29.514 29.700 -0.240 0.000 0.783 108 E HN 0.749 nan 8.360 nan 0.000 0.505 109 H N -0.463 118.560 119.070 -0.080 0.000 2.529 109 H HA 0.153 4.709 4.556 -0.000 0.000 0.277 109 H C -0.243 175.048 175.328 -0.061 0.000 1.004 109 H CA -0.020 55.985 56.048 -0.071 0.000 1.167 109 H CB 0.460 30.170 29.762 -0.086 0.000 1.445 109 H HN -0.112 nan 8.280 nan 0.000 0.554 110 E N 1.094 121.300 120.200 0.010 0.000 2.055 110 E HA 0.149 4.499 4.350 -0.000 0.000 0.274 110 E C -1.783 174.797 176.600 -0.034 0.000 0.949 110 E CA -2.411 53.983 56.400 -0.010 0.000 0.775 110 E CB 1.072 30.761 29.700 -0.019 0.000 1.097 110 E HN 0.075 nan 8.360 nan 0.000 0.404 111 P HA -0.124 nan 4.420 nan 0.000 0.218 111 P C 0.437 177.679 177.300 -0.096 0.000 1.148 111 P CA 0.880 63.947 63.100 -0.055 0.000 0.822 111 P CB 0.348 32.019 31.700 -0.049 0.000 0.784 112 N N -0.518 118.117 118.700 -0.108 0.000 2.396 112 N HA -0.017 4.723 4.740 -0.000 0.000 0.180 112 N C 0.640 176.088 175.510 -0.103 0.000 1.028 112 N CA 0.562 53.505 53.050 -0.179 0.000 0.893 112 N CB -0.323 38.087 38.487 -0.128 0.000 0.967 112 N HN 0.253 nan 8.380 nan 0.000 0.440 113 I N 1.964 122.514 120.570 -0.033 0.000 2.379 113 I HA 0.060 4.230 4.170 -0.000 0.000 0.290 113 I C -0.337 175.809 176.117 0.047 0.000 1.063 113 I CA -0.407 60.902 61.300 0.016 0.000 1.351 113 I CB 0.482 38.472 38.000 -0.016 0.000 1.410 113 I HN -0.242 nan 8.210 nan 0.000 0.505 114 D N 6.917 127.396 120.400 0.132 0.000 2.253 114 D HA 0.600 5.240 4.640 -0.000 0.000 0.249 114 D C -0.246 176.061 176.300 0.012 0.000 1.049 114 D CA -0.213 53.861 54.000 0.123 0.000 0.929 114 D CB 1.560 42.532 40.800 0.286 0.000 1.176 114 D HN 0.278 nan 8.370 nan 0.000 0.437 115 L N 1.116 122.335 121.223 -0.006 0.000 2.342 115 L HA 0.649 4.989 4.340 -0.000 0.000 0.271 115 L C -0.789 176.054 176.870 -0.045 0.000 1.008 115 L CA -1.032 53.783 54.840 -0.041 0.000 0.818 115 L CB 1.652 43.686 42.059 -0.041 0.000 1.296 115 L HN 0.144 nan 8.230 nan 0.000 0.427 116 L N 2.199 123.384 121.223 -0.064 0.000 2.493 116 L HA 0.369 4.709 4.340 -0.000 0.000 0.265 116 L C -0.912 175.923 176.870 -0.058 0.000 0.954 116 L CA -0.249 54.558 54.840 -0.055 0.000 0.844 116 L CB 2.338 44.358 42.059 -0.065 0.000 1.302 116 L HN 0.638 nan 8.230 nan 0.000 0.405 117 Q N 3.927 123.697 119.800 -0.049 0.000 2.456 117 Q HA 0.400 4.740 4.340 -0.000 0.000 0.234 117 Q C -1.490 174.478 176.000 -0.053 0.000 1.061 117 Q CA -0.147 55.623 55.803 -0.054 0.000 0.896 117 Q CB 0.667 29.375 28.738 -0.049 0.000 1.233 117 Q HN 0.645 nan 8.270 nan 0.000 0.506 118 D N 1.163 121.527 120.400 -0.061 0.000 2.639 118 D HA 0.389 5.029 4.640 -0.000 0.000 0.271 118 D C -1.363 174.896 176.300 -0.069 0.000 1.254 118 D CA -0.290 53.676 54.000 -0.056 0.000 0.810 118 D CB 2.250 43.024 40.800 -0.042 0.000 1.351 118 D HN 0.375 nan 8.370 nan 0.000 0.427 119 T N 0.348 114.864 114.554 -0.063 0.000 2.823 119 T HA 0.474 4.824 4.350 -0.000 0.000 0.279 119 T C -0.222 174.451 174.700 -0.045 0.000 0.998 119 T CA -0.547 61.511 62.100 -0.070 0.000 0.994 119 T CB 1.481 70.303 68.868 -0.078 0.000 0.960 119 T HN 0.119 nan 8.240 nan 0.000 0.448 120 V N 4.710 124.600 119.914 -0.041 0.000 2.432 120 V HA 0.232 4.351 4.120 -0.000 0.000 0.271 120 V C 1.098 177.184 176.094 -0.014 0.000 1.046 120 V CA -0.213 62.075 62.300 -0.020 0.000 0.945 120 V CB 0.339 32.154 31.823 -0.014 0.000 0.992 120 V HN 0.901 nan 8.190 nan 0.000 0.471 121 I N 1.852 122.419 120.570 -0.005 0.000 4.025 121 I HA 0.746 4.916 4.170 -0.000 0.000 0.336 121 I C 0.714 176.835 176.117 0.008 0.000 1.390 121 I CA -0.032 61.267 61.300 -0.001 0.000 1.099 121 I CB 0.457 38.456 38.000 -0.001 0.000 1.049 121 I HN 0.600 nan 8.210 nan 0.000 0.394 122 G N 0.480 109.290 108.800 0.016 0.000 2.473 122 G HA2 0.438 4.398 3.960 -0.000 0.000 0.298 122 G HA3 0.438 4.398 3.960 -0.000 0.000 0.298 122 G C -2.039 172.893 174.900 0.053 0.000 1.575 122 G CA -0.488 44.629 45.100 0.029 0.000 0.846 122 G HN -0.050 nan 8.290 nan 0.000 0.585 123 V N 0.948 120.906 119.914 0.073 0.000 2.487 123 V HA 0.817 4.937 4.120 -0.000 0.000 0.298 123 V C -0.008 176.149 176.094 0.104 0.000 1.028 123 V CA -0.431 61.949 62.300 0.134 0.000 0.860 123 V CB 1.613 33.557 31.823 0.201 0.000 0.991 123 V HN 0.940 nan 8.190 nan 0.000 0.427 124 S N 4.711 120.442 115.700 0.052 0.000 2.578 124 S HA 0.915 5.385 4.470 -0.000 0.000 0.283 124 S C -0.254 174.320 174.600 -0.042 0.000 1.195 124 S CA 0.124 58.323 58.200 -0.002 0.000 1.050 124 S CB 1.369 64.543 63.200 -0.042 0.000 1.012 124 S HN 1.491 nan 8.310 nan 0.000 0.511 125 A N 3.666 126.479 122.820 -0.012 0.000 2.517 125 A HA 0.661 4.981 4.320 -0.000 0.000 0.297 125 A C -1.372 176.207 177.584 -0.009 0.000 1.050 125 A CA -0.918 51.114 52.037 -0.010 0.000 0.694 125 A CB 1.018 20.068 19.000 0.083 0.000 1.277 125 A HN 0.749 nan 8.150 nan 0.000 0.400 126 N N 0.905 119.590 118.700 -0.024 0.000 2.444 126 N HA 0.511 5.251 4.740 -0.000 0.000 0.262 126 N C -0.095 175.416 175.510 0.001 0.000 0.974 126 N CA 0.173 53.215 53.050 -0.014 0.000 0.933 126 N CB 1.415 39.885 38.487 -0.028 0.000 1.137 126 N HN 0.619 nan 8.380 nan 0.000 0.498 127 S N 1.741 117.444 115.700 0.005 0.000 3.549 127 S HA -0.167 4.303 4.470 -0.000 0.000 0.366 127 S C 1.198 175.805 174.600 0.011 0.000 1.012 127 S CA 0.988 59.192 58.200 0.006 0.000 1.141 127 S CB -1.614 61.588 63.200 0.003 0.000 0.910 127 S HN 1.160 nan 8.310 nan 0.000 0.471 128 G N -0.192 108.619 108.800 0.018 0.000 2.143 128 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.249 128 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.249 128 G C -0.227 174.695 174.900 0.037 0.000 0.981 128 G CA 0.749 45.861 45.100 0.020 0.000 0.665 128 G HN 0.779 nan 8.290 nan 0.000 0.528 129 K N -0.341 120.089 120.400 0.050 0.000 2.378 129 K HA 0.592 4.912 4.320 -0.000 0.000 0.252 129 K C -0.127 176.543 176.600 0.117 0.000 0.931 129 K CA -1.261 55.077 56.287 0.084 0.000 0.794 129 K CB 1.330 33.869 32.500 0.065 0.000 1.181 129 K HN 0.103 nan 8.250 nan 0.000 0.425 130 F N 2.911 122.884 119.950 0.037 0.000 2.602 130 F HA -0.105 4.422 4.527 -0.000 0.000 0.367 130 F C 0.937 176.764 175.800 0.046 0.000 1.126 130 F CA 1.374 59.404 58.000 0.050 0.000 1.321 130 F CB 0.814 39.855 39.000 0.069 0.000 1.094 130 F HN 0.689 nan 8.300 nan 0.000 0.594 131 S N 1.828 116.935 115.700 -0.987 0.000 3.313 131 S HA 0.327 4.797 4.470 -0.000 0.000 0.247 131 S C 0.196 174.166 174.600 -1.049 0.000 1.058 131 S CA 0.360 58.094 58.200 -0.776 0.000 0.794 131 S CB -0.182 62.815 63.200 -0.340 0.000 0.842 131 S HN 0.886 nan 8.310 nan 0.000 0.526 132 S N -0.395 114.758 115.700 -0.912 0.000 2.776 132 S HA 0.828 5.297 4.470 -0.000 0.000 0.292 132 S C -1.597 172.943 174.600 -0.099 0.000 1.187 132 S CA -0.649 57.298 58.200 -0.422 0.000 0.834 132 S CB 1.621 64.710 63.200 -0.185 0.000 1.199 132 S HN 0.627 nan 8.310 nan 0.000 0.514 133 V N 1.129 121.075 119.914 0.054 0.000 2.668 133 V HA 0.561 4.680 4.120 -0.000 0.000 0.304 133 V C -0.803 175.323 176.094 0.054 0.000 1.071 133 V CA -0.416 61.956 62.300 0.121 0.000 0.894 133 V CB 2.188 34.127 31.823 0.193 0.000 1.008 133 V HN 1.057 nan 8.190 nan 0.000 0.425 134 T N 4.815 119.394 114.554 0.041 0.000 2.744 134 T HA 0.507 4.857 4.350 -0.000 0.000 0.291 134 T C 0.021 174.729 174.700 0.013 0.000 0.957 134 T CA -0.256 61.856 62.100 0.021 0.000 1.002 134 T CB 1.208 70.086 68.868 0.016 0.000 0.919 134 T HN 0.682 nan 8.240 nan 0.000 0.468 135 V N 2.518 122.436 119.914 0.005 0.000 3.134 135 V HA 0.505 4.625 4.120 -0.000 0.000 0.313 135 V C 1.821 177.911 176.094 -0.006 0.000 1.069 135 V CA -0.968 61.328 62.300 -0.005 0.000 1.048 135 V CB 0.884 32.701 31.823 -0.010 0.000 1.119 135 V HN 0.821 nan 8.190 nan 0.000 0.461 136 R N 0.823 121.315 120.500 -0.013 0.000 2.103 136 R HA -0.164 4.176 4.340 -0.000 0.000 0.242 136 R C 2.341 178.637 176.300 -0.007 0.000 1.142 136 R CA 2.244 58.337 56.100 -0.012 0.000 0.960 136 R CB -0.528 29.761 30.300 -0.019 0.000 0.858 136 R HN 1.064 nan 8.270 nan 0.000 0.439 137 S N -1.302 114.393 115.700 -0.008 0.000 2.442 137 S HA -0.030 4.440 4.470 -0.000 0.000 0.236 137 S C 1.418 176.017 174.600 -0.001 0.000 1.007 137 S CA 1.131 59.328 58.200 -0.005 0.000 0.965 137 S CB -0.037 63.160 63.200 -0.005 0.000 0.773 137 S HN 0.659 nan 8.310 nan 0.000 0.504 138 G N 0.612 109.412 108.800 -0.000 0.000 2.159 138 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.227 138 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.227 138 G C 0.118 175.019 174.900 0.003 0.000 0.986 138 G CA -0.059 45.042 45.100 0.002 0.000 0.651 138 G HN 0.587 nan 8.290 nan 0.000 0.523 139 R N 0.471 120.973 120.500 0.003 0.000 2.694 139 R HA 0.546 4.886 4.340 -0.000 0.000 0.268 139 R C 0.604 176.907 176.300 0.006 0.000 1.061 139 R CA 0.629 56.732 56.100 0.005 0.000 1.133 139 R CB 0.621 30.925 30.300 0.007 0.000 1.020 139 R HN 0.550 nan 8.270 nan 0.000 0.475 140 A N 3.874 126.697 122.820 0.005 0.000 2.292 140 A HA 0.493 4.813 4.320 -0.000 0.000 0.319 140 A C -0.366 177.225 177.584 0.013 0.000 1.206 140 A CA -0.614 51.424 52.037 0.002 0.000 0.835 140 A CB 0.610 19.603 19.000 -0.012 0.000 1.164 140 A HN 0.651 nan 8.150 nan 0.000 0.505 141 I N 2.044 122.629 120.570 0.025 0.000 2.382 141 I HA 0.234 4.404 4.170 -0.000 0.000 0.286 141 I C 0.197 176.352 176.117 0.062 0.000 1.002 141 I CA -0.108 61.222 61.300 0.051 0.000 1.135 141 I CB 1.757 39.785 38.000 0.046 0.000 1.288 141 I HN 0.741 nan 8.210 nan 0.000 0.448 142 Q N 4.693 124.531 119.800 0.064 0.000 2.261 142 Q HA 0.769 5.109 4.340 -0.000 0.000 0.252 142 Q C -0.842 175.230 176.000 0.121 0.000 0.915 142 Q CA -0.424 55.395 55.803 0.028 0.000 0.915 142 Q CB 1.768 30.506 28.738 -0.001 0.000 1.204 142 Q HN 0.801 nan 8.270 nan 0.000 0.421 143 A N 2.604 125.507 122.820 0.138 0.000 2.606 143 A HA 0.330 4.650 4.320 -0.000 0.000 0.293 143 A C -0.520 177.280 177.584 0.361 0.000 1.082 143 A CA -0.708 51.511 52.037 0.304 0.000 0.685 143 A CB 1.330 20.592 19.000 0.435 0.000 1.284 143 A HN 0.819 nan 8.150 nan 0.000 0.408 144 K N -0.003 120.573 120.400 0.293 0.000 2.243 144 K HA 0.377 4.696 4.320 -0.000 0.000 0.201 144 K C 0.518 177.341 176.600 0.371 0.000 1.051 144 K CA 1.400 57.844 56.287 0.261 0.000 0.970 144 K CB 0.277 32.863 32.500 0.144 0.000 0.755 144 K HN 0.931 nan 8.250 nan 0.000 0.465 145 A N 0.656 123.651 122.820 0.292 0.000 2.577 145 A HA 0.669 4.989 4.320 -0.000 0.000 0.297 145 A C -1.801 175.632 177.584 -0.251 0.000 1.060 145 A CA -0.696 51.378 52.037 0.062 0.000 0.697 145 A CB 1.683 20.754 19.000 0.119 0.000 1.281 145 A HN 0.075 nan 8.150 nan 0.000 0.402 146 A N 2.428 124.886 122.820 -0.603 0.000 2.356 146 A HA 0.727 5.047 4.320 -0.000 0.000 0.310 146 A C -0.626 176.857 177.584 -0.169 0.000 1.075 146 A CA -0.459 51.270 52.037 -0.514 0.000 0.746 146 A CB 0.629 19.067 19.000 -0.937 0.000 1.221 146 A HN 0.820 nan 8.150 nan 0.000 0.443 147 I N 2.744 123.260 120.570 -0.090 0.000 2.331 147 I HA 0.295 4.465 4.170 -0.000 0.000 0.292 147 I C -0.907 175.219 176.117 0.016 0.000 0.998 147 I CA -0.460 60.855 61.300 0.025 0.000 1.267 147 I CB 0.981 38.966 38.000 -0.025 0.000 1.386 147 I HN 0.412 nan 8.210 nan 0.000 0.476 148 L N 6.041 127.305 121.223 0.068 0.000 2.272 148 L HA 0.539 4.879 4.340 -0.000 0.000 0.289 148 L C 0.366 177.208 176.870 -0.047 0.000 1.032 148 L CA 0.105 54.916 54.840 -0.049 0.000 0.810 148 L CB 1.488 43.415 42.059 -0.220 0.000 1.205 148 L HN 0.776 nan 8.230 nan 0.000 0.422 149 A N 2.925 125.730 122.820 -0.025 0.000 3.216 149 A HA 0.357 4.677 4.320 -0.000 0.000 0.321 149 A C 0.432 178.039 177.584 0.039 0.000 1.042 149 A CA -0.363 51.684 52.037 0.018 0.000 0.838 149 A CB -0.022 19.002 19.000 0.041 0.000 1.136 149 A HN 0.795 nan 8.150 nan 0.000 0.483 150 C N 0.246 119.565 119.300 0.033 0.000 2.791 150 C HA 0.468 4.928 4.460 -0.000 0.000 0.270 150 C C 2.058 177.138 174.990 0.149 0.000 1.257 150 C CA 0.537 59.616 59.018 0.103 0.000 1.699 150 C CB -1.439 26.344 27.740 0.072 0.000 1.904 150 C HN 1.279 nan 8.230 nan 0.000 0.603 151 G N 2.115 110.946 108.800 0.051 0.000 2.634 151 G HA2 -0.387 3.573 3.960 -0.000 0.000 0.309 151 G HA3 -0.387 3.573 3.960 -0.000 0.000 0.309 151 G C 0.852 175.594 174.900 -0.263 0.000 1.265 151 G CA 1.252 46.302 45.100 -0.084 0.000 0.998 151 G HN 0.752 nan 8.290 nan 0.000 0.551 152 T N -2.356 111.881 114.554 -0.529 0.000 3.206 152 T HA 0.518 4.868 4.350 -0.000 0.000 0.253 152 T C 1.504 175.994 174.700 -0.350 0.000 1.042 152 T CA 1.005 62.695 62.100 -0.684 0.000 0.931 152 T CB -0.069 68.330 68.868 -0.782 0.000 1.029 152 T HN 0.358 nan 8.240 nan 0.000 0.564 153 F N 0.692 120.622 119.950 -0.034 0.000 2.569 153 F HA 0.404 4.930 4.527 -0.000 0.000 0.295 153 F C 0.767 176.584 175.800 0.028 0.000 1.115 153 F CA -0.793 57.212 58.000 0.008 0.000 1.450 153 F CB -0.156 38.841 39.000 -0.005 0.000 1.107 153 F HN 0.182 nan 8.300 nan 0.000 0.563 154 L N 2.115 123.455 121.223 0.194 0.000 2.515 154 L HA 0.056 4.396 4.340 -0.000 0.000 0.281 154 L C 0.435 177.361 176.870 0.092 0.000 1.131 154 L CA -0.140 54.765 54.840 0.109 0.000 0.905 154 L CB -1.470 40.615 42.059 0.043 0.000 1.246 154 L HN 0.207 nan 8.230 nan 0.000 0.463 155 N N 2.235 120.985 118.700 0.083 0.000 2.688 155 N HA -0.169 4.571 4.740 -0.000 0.000 0.258 155 N C 0.568 176.150 175.510 0.119 0.000 1.016 155 N CA 0.983 54.082 53.050 0.083 0.000 0.747 155 N CB -0.393 38.122 38.487 0.048 0.000 0.895 155 N HN 0.823 nan 8.380 nan 0.000 0.543 156 G N -0.136 108.752 108.800 0.146 0.000 2.527 156 G HA2 0.473 4.433 3.960 -0.000 0.000 0.248 156 G HA3 0.473 4.433 3.960 -0.000 0.000 0.248 156 G C -0.088 174.887 174.900 0.125 0.000 1.231 156 G CA -0.264 44.928 45.100 0.154 0.000 0.838 156 G HN 0.271 nan 8.290 nan 0.000 0.570 157 L N 1.750 123.049 121.223 0.126 0.000 2.464 157 L HA 0.448 4.788 4.340 -0.000 0.000 0.266 157 L C -0.753 176.132 176.870 0.024 0.000 0.965 157 L CA -0.724 54.145 54.840 0.048 0.000 0.833 157 L CB 2.035 44.107 42.059 0.022 0.000 1.296 157 L HN 0.324 nan 8.230 nan 0.000 0.405 158 I N 3.882 124.412 120.570 -0.067 0.000 2.353 158 I HA 0.293 4.463 4.170 -0.000 0.000 0.293 158 I C -0.240 175.750 176.117 -0.211 0.000 0.992 158 I CA -0.364 60.896 61.300 -0.066 0.000 1.268 158 I CB 0.997 38.931 38.000 -0.109 0.000 1.387 158 I HN 0.514 nan 8.210 nan 0.000 0.478 159 H N 7.269 126.375 119.070 0.060 0.000 2.685 159 H HA 0.464 5.020 4.556 -0.000 0.000 0.307 159 H C -0.501 174.876 175.328 0.082 0.000 1.017 159 H CA -0.373 55.692 56.048 0.028 0.000 1.237 159 H CB 1.810 31.601 29.762 0.048 0.000 1.409 159 H HN 0.417 nan 8.280 nan 0.000 0.488 160 I N 2.870 123.495 120.570 0.092 0.000 2.371 160 I HA 0.233 4.402 4.170 -0.000 0.000 0.282 160 I C 1.224 177.399 176.117 0.097 0.000 1.031 160 I CA -0.197 61.190 61.300 0.144 0.000 1.180 160 I CB 1.175 39.291 38.000 0.193 0.000 1.336 160 I HN 0.835 nan 8.210 nan 0.000 0.467 161 G N 5.584 114.453 108.800 0.115 0.000 2.620 161 G HA2 -0.400 3.560 3.960 -0.000 0.000 0.315 161 G HA3 -0.400 3.560 3.960 -0.000 0.000 0.315 161 G C 0.559 175.516 174.900 0.096 0.000 1.179 161 G CA 0.921 46.076 45.100 0.092 0.000 0.971 161 G HN 0.484 nan 8.290 nan 0.000 0.544 162 M N 2.302 121.945 119.600 0.072 0.000 2.534 162 M HA 0.299 4.779 4.480 -0.000 0.000 0.263 162 M C 0.468 176.818 176.300 0.084 0.000 1.152 162 M CA 1.392 56.742 55.300 0.082 0.000 1.145 162 M CB -0.077 32.561 32.600 0.062 0.000 1.333 162 M HN 0.624 nan 8.290 nan 0.000 0.477 163 D N 0.193 120.582 120.400 -0.019 0.000 2.229 163 D HA 0.368 5.008 4.640 -0.000 0.000 0.249 163 D C -0.422 175.593 176.300 -0.475 0.000 1.027 163 D CA -0.451 53.427 54.000 -0.204 0.000 0.923 163 D CB 0.373 41.048 40.800 -0.209 0.000 1.174 163 D HN 0.324 nan 8.370 nan 0.000 0.443 164 H N -1.011 117.615 119.070 -0.740 0.000 2.865 164 H HA 0.493 5.049 4.556 -0.000 0.000 0.362 164 H C -1.612 173.255 175.328 -0.768 0.000 1.114 164 H CA -1.047 54.472 56.048 -0.883 0.000 1.208 164 H CB 0.223 29.584 29.762 -0.668 0.000 1.727 164 H HN 0.398 nan 8.280 nan 0.000 0.534 165 F N 1.002 120.888 119.950 -0.106 0.000 2.538 165 F HA 0.493 5.020 4.527 -0.000 0.000 0.325 165 F C -2.332 173.433 175.800 -0.057 0.000 1.066 165 F CA -2.637 55.303 58.000 -0.100 0.000 0.946 165 F CB 1.519 40.459 39.000 -0.100 0.000 1.199 165 F HN 0.258 nan 8.300 nan 0.000 0.473 166 P HA 0.372 nan 4.420 nan 0.000 0.269 166 P C -0.456 176.905 177.300 0.100 0.000 1.215 166 P CA -0.105 63.057 63.100 0.103 0.000 0.780 166 P CB 0.746 32.495 31.700 0.082 0.000 0.898 167 G N 0.189 109.047 108.800 0.096 0.000 2.238 167 G HA2 0.364 4.324 3.960 -0.000 0.000 0.276 167 G HA3 0.364 4.324 3.960 -0.000 0.000 0.276 167 G C 0.397 175.376 174.900 0.132 0.000 1.744 167 G CA -0.126 45.033 45.100 0.099 0.000 0.912 167 G HN 0.571 nan 8.290 nan 0.000 0.744 168 G N 0.295 109.241 108.800 0.243 0.000 2.441 168 G HA2 0.153 4.112 3.960 -0.000 0.000 0.212 168 G HA3 0.153 4.112 3.960 -0.000 0.000 0.212 168 G C 1.332 176.098 174.900 -0.224 0.000 1.164 168 G CA 1.368 46.631 45.100 0.271 0.000 0.811 168 G HN 0.731 nan 8.290 nan 0.000 0.535 169 R N -1.055 119.398 120.500 -0.078 0.000 2.196 169 R HA 0.302 4.642 4.340 -0.000 0.000 0.186 169 R C 0.550 176.912 176.300 0.104 0.000 1.163 169 R CA 0.497 56.505 56.100 -0.154 0.000 1.146 169 R CB 0.040 30.287 30.300 -0.089 0.000 1.113 169 R HN 0.267 nan 8.270 nan 0.000 0.513 170 S N -1.070 114.706 115.700 0.128 0.000 2.726 170 S HA 0.140 4.610 4.470 -0.000 0.000 0.308 170 S C 0.883 175.466 174.600 -0.027 0.000 1.115 170 S CA -0.078 58.151 58.200 0.049 0.000 0.965 170 S CB 1.619 64.900 63.200 0.136 0.000 1.145 170 S HN 0.320 nan 8.310 nan 0.000 0.532 171 T N 1.310 115.782 114.554 -0.136 0.000 2.802 171 T HA -0.169 4.181 4.350 -0.000 0.000 0.269 171 T C 1.562 176.248 174.700 -0.023 0.000 1.062 171 T CA 2.143 64.197 62.100 -0.077 0.000 1.133 171 T CB -0.735 68.054 68.868 -0.132 0.000 0.852 171 T HN 0.696 nan 8.240 nan 0.000 0.485 172 A N -0.114 122.710 122.820 0.005 0.000 2.209 172 A HA 0.224 4.544 4.320 -0.000 0.000 0.212 172 A C 0.819 178.433 177.584 0.051 0.000 1.158 172 A CA 0.449 52.501 52.037 0.024 0.000 0.742 172 A CB -0.121 18.903 19.000 0.040 0.000 0.790 172 A HN 0.655 nan 8.150 nan 0.000 0.472 173 E N -0.123 120.133 120.200 0.095 0.000 2.199 173 E HA 0.470 4.820 4.350 -0.000 0.000 0.269 173 E C -2.896 173.773 176.600 0.114 0.000 0.899 173 E CA -2.255 54.223 56.400 0.131 0.000 0.772 173 E CB 1.518 31.414 29.700 0.327 0.000 1.155 173 E HN 0.040 nan 8.360 nan 0.000 0.408 174 P HA 0.166 nan 4.420 nan 0.000 0.276 174 P C -2.492 174.856 177.300 0.080 0.000 1.230 174 P CA -1.328 61.798 63.100 0.043 0.000 0.776 174 P CB 0.129 31.825 31.700 -0.007 0.000 0.888 175 P HA 0.087 nan 4.420 nan 0.000 0.276 175 P C -0.718 176.631 177.300 0.081 0.000 1.244 175 P CA -0.117 63.080 63.100 0.163 0.000 0.801 175 P CB 0.579 32.365 31.700 0.142 0.000 1.006 176 V N 2.412 122.380 119.914 0.089 0.000 2.546 176 V HA 0.125 4.245 4.120 -0.000 0.000 0.284 176 V C 1.396 177.511 176.094 0.035 0.000 1.050 176 V CA 0.351 62.671 62.300 0.033 0.000 0.981 176 V CB 0.624 32.462 31.823 0.025 0.000 0.990 176 V HN 0.623 nan 8.190 nan 0.000 0.474 177 E N 2.989 123.198 120.200 0.015 0.000 2.367 177 E HA 0.122 4.472 4.350 -0.000 0.000 0.204 177 E C 2.043 178.643 176.600 0.000 0.000 0.840 177 E CA 0.675 57.083 56.400 0.013 0.000 1.051 177 E CB 0.422 30.133 29.700 0.019 0.000 1.051 177 E HN 0.882 nan 8.360 nan 0.000 0.509 178 G N 1.920 110.720 108.800 -0.000 0.000 2.404 178 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.215 178 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.215 178 G C 1.563 176.459 174.900 -0.007 0.000 1.174 178 G CA 0.500 45.600 45.100 -0.000 0.000 0.780 178 G HN 0.098 nan 8.290 nan 0.000 0.537 179 L N 0.576 121.793 121.223 -0.010 0.000 2.042 179 L HA -0.017 4.323 4.340 -0.000 0.000 0.210 179 L C 2.887 179.746 176.870 -0.017 0.000 1.076 179 L CA 2.446 57.280 54.840 -0.010 0.000 0.749 179 L CB -0.780 41.272 42.059 -0.011 0.000 0.893 179 L HN 0.207 nan 8.230 nan 0.000 0.432 180 T N -1.199 113.320 114.554 -0.058 0.000 2.821 180 T HA -0.153 4.197 4.350 -0.000 0.000 0.267 180 T C 1.664 176.239 174.700 -0.208 0.000 1.046 180 T CA 1.530 63.532 62.100 -0.163 0.000 1.139 180 T CB -0.035 68.602 68.868 -0.386 0.000 0.871 180 T HN 0.362 nan 8.240 nan 0.000 0.454 181 E N 0.585 120.717 120.200 -0.112 0.000 2.107 181 E HA 0.001 4.351 4.350 -0.000 0.000 0.191 181 E C 2.324 178.949 176.600 0.042 0.000 0.982 181 E CA 0.761 57.150 56.400 -0.019 0.000 0.809 181 E CB -0.360 29.349 29.700 0.014 0.000 0.756 181 E HN 0.331 nan 8.360 nan 0.000 0.459 182 S N -0.457 115.263 115.700 0.032 0.000 2.402 182 S HA -0.083 4.387 4.470 -0.000 0.000 0.229 182 S C 1.697 176.350 174.600 0.088 0.000 1.021 182 S CA 0.640 58.873 58.200 0.056 0.000 0.974 182 S CB -0.040 63.183 63.200 0.039 0.000 0.800 182 S HN 0.108 nan 8.310 nan 0.000 0.484 183 L N 1.391 122.658 121.223 0.073 0.000 2.095 183 L HA 0.276 4.615 4.340 -0.000 0.000 0.204 183 L C 2.767 179.828 176.870 0.318 0.000 1.080 183 L CA 1.421 56.321 54.840 0.099 0.000 0.759 183 L CB -0.954 40.994 42.059 -0.185 0.000 0.914 183 L HN 0.362 nan 8.230 nan 0.000 0.439 184 A N -1.401 121.598 122.820 0.297 0.000 1.940 184 A HA -0.266 4.054 4.320 -0.000 0.000 0.219 184 A C 2.562 180.313 177.584 0.279 0.000 1.176 184 A CA 1.949 54.219 52.037 0.388 0.000 0.631 184 A CB -0.969 18.281 19.000 0.416 0.000 0.814 184 A HN 0.424 nan 8.150 nan 0.000 0.446 185 S N -0.598 115.223 115.700 0.202 0.000 2.400 185 S HA -0.080 4.390 4.470 -0.000 0.000 0.232 185 S C 1.518 176.206 174.600 0.148 0.000 1.025 185 S CA 1.364 59.653 58.200 0.149 0.000 0.993 185 S CB -0.418 62.849 63.200 0.111 0.000 0.808 185 S HN 0.486 nan 8.310 nan 0.000 0.478 186 L N 0.887 122.231 121.223 0.202 0.000 2.627 186 L HA 0.283 4.623 4.340 -0.000 0.000 0.232 186 L C 1.251 178.194 176.870 0.121 0.000 1.150 186 L CA 0.310 55.261 54.840 0.186 0.000 0.917 186 L CB -0.296 41.919 42.059 0.260 0.000 1.104 186 L HN 0.586 nan 8.230 nan 0.000 0.445 187 G N -0.083 108.794 108.800 0.128 0.000 2.255 187 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.239 187 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.239 187 G C -0.333 174.522 174.900 -0.075 0.000 1.083 187 G CA -0.571 44.540 45.100 0.019 0.000 0.826 187 G HN 0.162 nan 8.290 nan 0.000 0.493 188 F N 1.713 121.774 119.950 0.184 0.000 2.467 188 F HA 0.608 5.135 4.527 -0.000 0.000 0.336 188 F C 1.009 177.047 175.800 0.398 0.000 1.123 188 F CA -0.197 57.959 58.000 0.259 0.000 0.964 188 F CB 1.999 41.139 39.000 0.234 0.000 1.136 188 F HN 0.308 nan 8.300 nan 0.000 0.447 189 S N 3.869 119.883 115.700 0.524 0.000 2.601 189 S HA 0.774 5.244 4.470 -0.000 0.000 0.271 189 S C -0.826 174.097 174.600 0.539 0.000 1.305 189 S CA -0.471 57.997 58.200 0.446 0.000 1.022 189 S CB 0.882 64.267 63.200 0.308 0.000 0.940 189 S HN 0.538 nan 8.310 nan 0.000 0.525 190 F N -1.530 118.467 119.950 0.077 0.000 2.641 190 F HA 0.884 5.410 4.527 -0.000 0.000 0.308 190 F C -0.023 175.463 175.800 -0.524 0.000 1.105 190 F CA -0.885 56.821 58.000 -0.491 0.000 0.964 190 F CB 0.976 39.599 39.000 -0.629 0.000 1.294 190 F HN 0.870 nan 8.300 nan 0.000 0.442 191 G N 1.322 109.488 108.800 -1.057 0.000 3.119 191 G HA2 0.795 4.755 3.960 -0.000 0.000 0.206 191 G HA3 0.795 4.755 3.960 -0.000 0.000 0.206 191 G C -1.525 173.191 174.900 -0.306 0.000 1.313 191 G CA -1.390 43.330 45.100 -0.634 0.000 1.010 191 G HN 0.729 nan 8.290 nan 0.000 0.578 192 R N -0.809 119.706 120.500 0.025 0.000 2.574 192 R HA 0.523 4.863 4.340 -0.000 0.000 0.288 192 R C -1.330 174.974 176.300 0.007 0.000 1.004 192 R CA -0.546 55.575 56.100 0.036 0.000 0.895 192 R CB 2.232 32.522 30.300 -0.016 0.000 1.191 192 R HN 0.289 nan 8.270 nan 0.000 0.444 193 L N 2.139 123.167 121.223 -0.325 0.000 2.319 193 L HA 0.590 4.930 4.340 -0.000 0.000 0.267 193 L C -0.562 176.050 176.870 -0.429 0.000 1.011 193 L CA -0.963 53.582 54.840 -0.492 0.000 0.818 193 L CB 2.160 43.755 42.059 -0.774 0.000 1.316 193 L HN 0.390 nan 8.230 nan 0.000 0.432 194 K N 0.758 121.046 120.400 -0.187 0.000 2.345 194 K HA 0.659 4.979 4.320 -0.000 0.000 0.255 194 K C -1.006 175.625 176.600 0.052 0.000 0.934 194 K CA -0.668 55.602 56.287 -0.027 0.000 0.801 194 K CB 2.197 34.654 32.500 -0.071 0.000 1.137 194 K HN 0.643 nan 8.250 nan 0.000 0.424 195 T N -1.580 113.066 114.554 0.153 0.000 2.909 195 T HA 0.677 5.027 4.350 -0.000 0.000 0.299 195 T C -0.020 174.717 174.700 0.061 0.000 1.073 195 T CA -1.032 61.126 62.100 0.097 0.000 0.999 195 T CB 1.831 70.768 68.868 0.115 0.000 1.098 195 T HN 0.559 nan 8.240 nan 0.000 0.477 196 G N 0.008 108.809 108.800 0.001 0.000 2.417 196 G HA2 0.612 4.572 3.960 -0.000 0.000 0.334 196 G HA3 0.612 4.572 3.960 -0.000 0.000 0.334 196 G C -0.893 173.940 174.900 -0.112 0.000 1.150 196 G CA -0.711 44.362 45.100 -0.046 0.000 0.923 196 G HN 0.908 nan 8.290 nan 0.000 0.485 197 T N 1.526 115.941 114.554 -0.231 0.000 2.876 197 T HA 0.728 5.078 4.350 -0.000 0.000 0.289 197 T C -2.641 171.917 174.700 -0.238 0.000 1.014 197 T CA -1.850 60.105 62.100 -0.242 0.000 0.986 197 T CB 2.326 70.991 68.868 -0.338 0.000 1.021 197 T HN 0.346 nan 8.240 nan 0.000 0.458 198 P HA 0.416 nan 4.420 nan 0.000 0.278 198 P C -2.788 174.405 177.300 -0.178 0.000 1.258 198 P CA -1.844 61.147 63.100 -0.181 0.000 0.811 198 P CB -0.105 31.409 31.700 -0.309 0.000 1.063 199 P HA 0.163 nan 4.420 nan 0.000 0.274 199 P C -0.462 176.786 177.300 -0.086 0.000 1.237 199 P CA 0.027 63.104 63.100 -0.038 0.000 0.793 199 P CB 0.577 32.275 31.700 -0.002 0.000 0.977 200 R N 1.886 122.373 120.500 -0.022 0.000 2.589 200 R HA 0.676 5.016 4.340 -0.000 0.000 0.293 200 R C 0.284 176.578 176.300 -0.010 0.000 0.963 200 R CA -0.905 55.195 56.100 -0.000 0.000 0.905 200 R CB 0.985 31.320 30.300 0.057 0.000 1.144 200 R HN 0.600 nan 8.270 nan 0.000 0.459 201 I N -2.411 118.151 120.570 -0.014 0.000 3.002 201 I HA 0.422 4.592 4.170 -0.000 0.000 0.310 201 I C -0.385 175.729 176.117 -0.006 0.000 1.087 201 I CA -1.105 60.178 61.300 -0.029 0.000 1.017 201 I CB 2.373 40.329 38.000 -0.074 0.000 1.226 201 I HN 0.284 nan 8.210 nan 0.000 0.443 202 D N 2.714 123.107 120.400 -0.011 0.000 2.317 202 D HA 0.155 4.795 4.640 -0.000 0.000 0.252 202 D C 0.883 177.186 176.300 0.006 0.000 1.174 202 D CA 0.004 54.007 54.000 0.004 0.000 0.866 202 D CB 1.750 42.550 40.800 -0.000 0.000 1.127 202 D HN 0.682 nan 8.370 nan 0.000 0.467 203 S N 4.574 120.296 115.700 0.037 0.000 2.374 203 S HA -0.227 4.243 4.470 -0.000 0.000 0.227 203 S C 1.741 176.405 174.600 0.107 0.000 1.037 203 S CA 1.027 59.273 58.200 0.076 0.000 1.024 203 S CB -0.131 63.134 63.200 0.109 0.000 0.861 203 S HN 0.616 nan 8.310 nan 0.000 0.456 204 R N 1.714 122.260 120.500 0.077 0.000 2.241 204 R HA 0.001 4.341 4.340 -0.000 0.000 0.224 204 R C 2.183 178.513 176.300 0.050 0.000 1.101 204 R CA 1.248 57.397 56.100 0.082 0.000 0.995 204 R CB -0.456 29.867 30.300 0.039 0.000 0.870 204 R HN 0.590 nan 8.270 nan 0.000 0.463 205 S N -0.502 115.198 115.700 0.001 0.000 2.631 205 S HA 0.118 4.588 4.470 -0.000 0.000 0.217 205 S C 0.594 175.133 174.600 -0.102 0.000 0.958 205 S CA -0.515 57.660 58.200 -0.040 0.000 0.920 205 S CB 0.272 63.444 63.200 -0.046 0.000 0.776 205 S HN -0.101 nan 8.310 nan 0.000 0.517 206 V N 2.356 122.174 119.914 -0.160 0.000 2.539 206 V HA 0.340 4.460 4.120 -0.000 0.000 0.292 206 V C -0.108 175.727 176.094 -0.432 0.000 1.045 206 V CA -0.794 61.271 62.300 -0.392 0.000 0.945 206 V CB 1.549 32.950 31.823 -0.703 0.000 0.993 206 V HN 0.321 nan 8.190 nan 0.000 0.464 207 D N 2.969 123.143 120.400 -0.377 0.000 2.453 207 D HA 0.150 4.790 4.640 -0.000 0.000 0.223 207 D C 0.227 176.356 176.300 -0.285 0.000 1.183 207 D CA -0.116 53.745 54.000 -0.231 0.000 0.933 207 D CB 0.303 41.017 40.800 -0.143 0.000 1.038 207 D HN 0.518 nan 8.370 nan 0.000 0.513 208 Y N 1.546 121.790 120.300 -0.094 0.000 2.488 208 Y HA -0.007 4.543 4.550 -0.000 0.000 0.319 208 Y C 2.120 178.005 175.900 -0.024 0.000 1.212 208 Y CA 0.254 58.303 58.100 -0.086 0.000 1.273 208 Y CB 0.227 38.621 38.460 -0.109 0.000 1.074 208 Y HN 0.271 nan 8.280 nan 0.000 0.503 209 T N -0.969 113.622 114.554 0.062 0.000 3.031 209 T HA 0.060 4.410 4.350 -0.000 0.000 0.254 209 T C 1.725 176.440 174.700 0.025 0.000 1.060 209 T CA 0.921 63.049 62.100 0.047 0.000 1.135 209 T CB 0.087 68.969 68.868 0.024 0.000 0.896 209 T HN 0.285 nan 8.240 nan 0.000 0.472 210 I N 0.494 121.058 120.570 -0.010 0.000 2.729 210 I HA 0.117 4.287 4.170 -0.000 0.000 0.256 210 I C 0.559 176.672 176.117 -0.008 0.000 1.115 210 I CA 0.103 61.392 61.300 -0.019 0.000 1.446 210 I CB -0.169 37.802 38.000 -0.048 0.000 1.176 210 I HN -0.084 nan 8.210 nan 0.000 0.446 211 V N 3.096 122.992 119.914 -0.031 0.000 2.599 211 V HA -0.023 4.097 4.120 -0.000 0.000 0.300 211 V C 0.588 176.757 176.094 0.125 0.000 1.034 211 V CA 0.141 62.447 62.300 0.011 0.000 1.115 211 V CB 0.290 32.070 31.823 -0.071 0.000 0.934 211 V HN 0.471 nan 8.190 nan 0.000 0.485 212 T N 2.205 116.831 114.554 0.121 0.000 2.780 212 T HA 0.397 4.747 4.350 -0.000 0.000 0.294 212 T C -0.220 174.577 174.700 0.162 0.000 0.949 212 T CA -0.711 61.467 62.100 0.129 0.000 1.074 212 T CB 1.053 69.962 68.868 0.069 0.000 0.910 212 T HN 0.810 nan 8.240 nan 0.000 0.501 213 E N 2.502 122.791 120.200 0.148 0.000 2.338 213 E HA 0.094 4.444 4.350 -0.000 0.000 0.272 213 E C -0.374 176.173 176.600 -0.089 0.000 1.029 213 E CA -0.555 55.830 56.400 -0.024 0.000 0.872 213 E CB 0.643 30.374 29.700 0.051 0.000 1.015 213 E HN 0.724 nan 8.360 nan 0.000 0.417 214 Q N 5.765 125.444 119.800 -0.201 0.000 2.558 214 Q HA 0.323 4.663 4.340 -0.000 0.000 0.252 214 Q C -2.493 173.438 176.000 -0.115 0.000 1.015 214 Q CA -2.326 53.419 55.803 -0.096 0.000 0.720 214 Q CB 1.515 30.239 28.738 -0.023 0.000 1.215 214 Q HN 0.427 nan 8.270 nan 0.000 0.500 215 P HA 0.136 nan 4.420 nan 0.000 0.274 215 P C 0.020 177.306 177.300 -0.024 0.000 1.237 215 P CA -0.087 62.980 63.100 -0.054 0.000 0.793 215 P CB 0.667 32.350 31.700 -0.028 0.000 0.977 216 G N 0.982 109.780 108.800 -0.004 0.000 2.491 216 G HA2 0.261 4.221 3.960 -0.000 0.000 0.242 216 G HA3 0.261 4.221 3.960 -0.000 0.000 0.242 216 G C -0.635 174.284 174.900 0.031 0.000 1.266 216 G CA -0.431 44.687 45.100 0.029 0.000 0.844 216 G HN 0.544 nan 8.290 nan 0.000 0.571 217 D N 0.246 120.669 120.400 0.039 0.000 2.350 217 D HA 0.206 4.846 4.640 -0.000 0.000 0.249 217 D C 0.489 176.801 176.300 0.021 0.000 1.119 217 D CA -0.666 53.350 54.000 0.026 0.000 0.886 217 D CB 1.119 41.934 40.800 0.025 0.000 1.195 217 D HN 0.190 nan 8.370 nan 0.000 0.437 218 V N 2.412 122.333 119.914 0.011 0.000 2.584 218 V HA -0.004 4.115 4.120 -0.000 0.000 0.303 218 V C 0.466 176.557 176.094 -0.005 0.000 1.035 218 V CA 0.676 62.977 62.300 0.002 0.000 1.172 218 V CB -0.557 31.267 31.823 0.002 0.000 0.896 218 V HN 0.918 nan 8.190 nan 0.000 0.486 219 D N 3.274 123.663 120.400 -0.018 0.000 3.061 219 D HA -0.098 4.542 4.640 -0.000 0.000 0.252 219 D C -2.355 173.920 176.300 -0.041 0.000 1.080 219 D CA -0.049 53.931 54.000 -0.033 0.000 0.871 219 D CB -0.136 40.649 40.800 -0.025 0.000 1.018 219 D HN 0.502 nan 8.370 nan 0.000 0.425 220 P HA 0.388 nan 4.420 nan 0.000 0.277 220 P C -0.601 176.625 177.300 -0.123 0.000 1.271 220 P CA -0.741 62.323 63.100 -0.060 0.000 0.795 220 P CB 0.822 32.484 31.700 -0.063 0.000 1.101 221 V N 1.782 121.632 119.914 -0.106 0.000 2.384 221 V HA 0.334 4.454 4.120 -0.000 0.000 0.287 221 V C -2.257 173.729 176.094 -0.181 0.000 1.020 221 V CA -1.810 60.396 62.300 -0.158 0.000 0.850 221 V CB 1.093 32.801 31.823 -0.191 0.000 0.987 221 V HN 0.536 nan 8.190 nan 0.000 0.436 222 P HA 0.265 nan 4.420 nan 0.000 0.271 222 P C 0.249 177.477 177.300 -0.121 0.000 1.216 222 P CA -0.155 62.868 63.100 -0.128 0.000 0.771 222 P CB 0.536 32.150 31.700 -0.144 0.000 0.864 223 F N 0.083 119.974 119.950 -0.098 0.000 2.113 223 F HA -0.072 4.455 4.527 -0.000 0.000 0.297 223 F C 1.737 177.365 175.800 -0.286 0.000 1.103 223 F CA 1.349 59.255 58.000 -0.158 0.000 1.248 223 F CB -0.531 38.442 39.000 -0.045 0.000 0.999 223 F HN 0.204 nan 8.300 nan 0.000 0.475 224 S N -0.497 115.217 115.700 0.023 0.000 2.548 224 S HA 0.112 4.582 4.470 -0.000 0.000 0.277 224 S C 0.753 175.273 174.600 -0.134 0.000 1.315 224 S CA -0.555 57.625 58.200 -0.034 0.000 1.050 224 S CB 0.158 63.391 63.200 0.055 0.000 0.918 224 S HN 0.128 nan 8.310 nan 0.000 0.497 225 F N 2.502 122.494 119.950 0.070 0.000 2.502 225 F HA 0.032 4.559 4.527 -0.000 0.000 0.298 225 F C 2.452 178.273 175.800 0.036 0.000 1.111 225 F CA 0.390 58.418 58.000 0.047 0.000 1.445 225 F CB -0.134 38.894 39.000 0.047 0.000 1.081 225 F HN 0.496 nan 8.300 nan 0.000 0.558 226 S N -1.362 114.448 115.700 0.183 0.000 2.425 226 S HA -0.005 4.465 4.470 -0.000 0.000 0.225 226 S C 1.097 175.736 174.600 0.064 0.000 1.024 226 S CA 0.073 58.342 58.200 0.115 0.000 0.951 226 S CB -0.206 63.056 63.200 0.104 0.000 0.796 226 S HN 0.094 nan 8.310 nan 0.000 0.498 227 S N 1.125 116.849 115.700 0.039 0.000 2.584 227 S HA 0.194 4.664 4.470 -0.000 0.000 0.270 227 S C 1.290 175.885 174.600 -0.009 0.000 1.346 227 S CA -0.016 58.185 58.200 0.002 0.000 1.018 227 S CB 1.165 64.350 63.200 -0.024 0.000 0.899 227 S HN 0.452 nan 8.310 nan 0.000 0.542 228 T N -0.208 114.331 114.554 -0.026 0.000 3.019 228 T HA 0.235 4.585 4.350 -0.000 0.000 0.247 228 T C 0.362 175.029 174.700 -0.056 0.000 0.992 228 T CA 0.577 62.661 62.100 -0.027 0.000 1.036 228 T CB -0.099 68.761 68.868 -0.014 0.000 1.063 228 T HN 0.704 nan 8.240 nan 0.000 0.476 229 S N 0.201 115.853 115.700 -0.079 0.000 2.588 229 S HA 0.598 5.067 4.470 -0.000 0.000 0.275 229 S C -0.230 174.265 174.600 -0.176 0.000 1.130 229 S CA -0.113 58.018 58.200 -0.115 0.000 0.855 229 S CB 1.710 64.859 63.200 -0.085 0.000 1.116 229 S HN 0.652 nan 8.310 nan 0.000 0.472 230 V N -1.582 118.173 119.914 -0.265 0.000 3.172 230 V HA 0.677 4.797 4.120 -0.000 0.000 0.343 230 V C 1.409 177.318 176.094 -0.308 0.000 1.429 230 V CA 0.301 62.355 62.300 -0.410 0.000 1.149 230 V CB -0.265 30.982 31.823 -0.960 0.000 1.106 230 V HN 1.108 nan 8.190 nan 0.000 0.526 231 A N 2.975 125.687 122.820 -0.179 0.000 1.883 231 A HA -0.214 4.106 4.320 -0.000 0.000 0.217 231 A C 1.949 179.493 177.584 -0.065 0.000 1.186 231 A CA 2.575 54.548 52.037 -0.108 0.000 0.624 231 A CB -0.865 18.090 19.000 -0.075 0.000 0.822 231 A HN 0.911 nan 8.150 nan 0.000 0.444 232 N N -0.844 117.822 118.700 -0.055 0.000 2.520 232 N HA -0.110 4.630 4.740 -0.000 0.000 0.185 232 N C 1.028 176.539 175.510 0.002 0.000 1.068 232 N CA 0.733 53.769 53.050 -0.022 0.000 0.911 232 N CB -0.271 38.204 38.487 -0.019 0.000 0.961 232 N HN 0.262 nan 8.380 nan 0.000 0.446 233 R N 0.256 120.756 120.500 -0.001 0.000 2.346 233 R HA 0.144 4.483 4.340 -0.000 0.000 0.225 233 R C -0.354 176.046 176.300 0.167 0.000 0.987 233 R CA -0.062 56.092 56.100 0.090 0.000 1.106 233 R CB -0.902 29.487 30.300 0.148 0.000 1.090 233 R HN 0.274 nan 8.270 nan 0.000 0.502 234 N N 1.275 120.035 118.700 0.100 0.000 3.034 234 N HA 0.128 4.868 4.740 -0.000 0.000 0.265 234 N C 0.723 176.267 175.510 0.058 0.000 1.166 234 N CA 0.034 53.142 53.050 0.098 0.000 1.081 234 N CB 0.562 39.089 38.487 0.066 0.000 1.378 234 N HN 0.157 nan 8.380 nan 0.000 0.520 235 L N -0.113 121.145 121.223 0.058 0.000 2.388 235 L HA 0.256 4.596 4.340 -0.000 0.000 0.209 235 L C 0.337 177.226 176.870 0.033 0.000 1.061 235 L CA 0.502 55.365 54.840 0.040 0.000 0.834 235 L CB 0.338 42.421 42.059 0.040 0.000 1.029 235 L HN 0.024 nan 8.230 nan 0.000 0.473 236 V N -1.066 118.866 119.914 0.031 0.000 2.914 236 V HA 0.525 4.644 4.120 -0.000 0.000 0.314 236 V C -0.304 175.791 176.094 0.002 0.000 1.084 236 V CA -0.796 61.524 62.300 0.033 0.000 0.963 236 V CB 1.895 33.750 31.823 0.053 0.000 1.025 236 V HN 0.202 nan 8.190 nan 0.000 0.432 237 S N 0.439 116.121 115.700 -0.032 0.000 2.621 237 S HA 0.699 5.169 4.470 -0.000 0.000 0.302 237 S C -0.370 174.061 174.600 -0.282 0.000 1.093 237 S CA -0.663 57.446 58.200 -0.152 0.000 1.017 237 S CB 1.563 64.638 63.200 -0.208 0.000 1.077 237 S HN 0.733 nan 8.310 nan 0.000 0.517 238 C N 0.600 119.724 119.300 -0.293 0.000 2.365 238 C HA 0.689 5.149 4.460 -0.000 0.000 0.374 238 C C -0.868 173.818 174.990 -0.507 0.000 1.318 238 C CA -0.515 58.386 59.018 -0.196 0.000 2.239 238 C CB -0.359 27.387 27.740 0.009 0.000 2.144 238 C HN 0.869 nan 8.230 nan 0.000 0.581 239 Y N 0.393 120.781 120.300 0.147 0.000 2.332 239 Y HA 0.529 5.079 4.550 -0.000 0.000 0.325 239 Y C -0.191 175.752 175.900 0.072 0.000 1.054 239 Y CA -0.494 57.672 58.100 0.109 0.000 1.119 239 Y CB 0.701 39.219 38.460 0.097 0.000 1.168 239 Y HN 0.346 nan 8.280 nan 0.000 0.439 240 L N 4.080 125.389 121.223 0.143 0.000 2.312 240 L HA 0.796 5.136 4.340 -0.000 0.000 0.281 240 L C -0.194 176.663 176.870 -0.021 0.000 1.070 240 L CA -0.329 54.514 54.840 0.005 0.000 0.805 240 L CB 1.369 43.423 42.059 -0.009 0.000 1.174 240 L HN 0.655 nan 8.230 nan 0.000 0.434 241 T N 0.655 115.148 114.554 -0.101 0.000 2.787 241 T HA 0.516 4.865 4.350 -0.000 0.000 0.297 241 T C -1.021 173.590 174.700 -0.148 0.000 1.221 241 T CA -1.157 60.883 62.100 -0.100 0.000 1.006 241 T CB 2.453 71.267 68.868 -0.090 0.000 1.328 241 T HN 0.625 nan 8.240 nan 0.000 0.509 242 K N -0.441 119.871 120.400 -0.147 0.000 2.395 242 K HA 0.785 5.105 4.320 -0.000 0.000 0.247 242 K C -0.502 176.033 176.600 -0.109 0.000 0.973 242 K CA -0.990 55.188 56.287 -0.183 0.000 0.828 242 K CB 1.510 33.852 32.500 -0.265 0.000 1.272 242 K HN 0.712 nan 8.250 nan 0.000 0.439 243 T N -1.248 113.266 114.554 -0.066 0.000 2.918 243 T HA 0.346 4.695 4.350 -0.000 0.000 0.283 243 T C -0.003 174.646 174.700 -0.085 0.000 1.001 243 T CA -0.591 61.463 62.100 -0.076 0.000 1.041 243 T CB 1.202 70.027 68.868 -0.071 0.000 1.028 243 T HN 0.524 nan 8.240 nan 0.000 0.511 244 T N 1.544 116.011 114.554 -0.144 0.000 2.929 244 T HA 0.269 4.619 4.350 -0.000 0.000 0.284 244 T C 1.676 176.337 174.700 -0.065 0.000 1.014 244 T CA -0.712 61.343 62.100 -0.075 0.000 1.051 244 T CB 1.473 70.302 68.868 -0.066 0.000 1.028 244 T HN 0.840 nan 8.240 nan 0.000 0.485 245 E N 1.697 121.968 120.200 0.118 0.000 2.208 245 E HA -0.319 4.031 4.350 -0.000 0.000 0.202 245 E C 1.746 178.417 176.600 0.117 0.000 1.014 245 E CA 1.408 57.950 56.400 0.237 0.000 0.819 245 E CB -0.091 29.683 29.700 0.124 0.000 0.735 245 E HN 0.583 nan 8.360 nan 0.000 0.469 246 K N 0.439 120.845 120.400 0.011 0.000 2.155 246 K HA -0.074 4.246 4.320 -0.000 0.000 0.203 246 K C 1.999 178.562 176.600 -0.062 0.000 1.052 246 K CA 1.545 57.821 56.287 -0.020 0.000 0.948 246 K CB 0.027 32.509 32.500 -0.029 0.000 0.728 246 K HN 0.152 nan 8.250 nan 0.000 0.448 247 T N -0.056 114.411 114.554 -0.146 0.000 2.708 247 T HA -0.138 4.212 4.350 -0.000 0.000 0.266 247 T C 1.364 175.968 174.700 -0.159 0.000 1.037 247 T CA 1.698 63.687 62.100 -0.185 0.000 1.146 247 T CB -0.446 68.255 68.868 -0.279 0.000 0.865 247 T HN 0.467 nan 8.240 nan 0.000 0.435 248 H N 1.036 120.123 119.070 0.028 0.000 2.387 248 H HA -0.038 4.518 4.556 -0.000 0.000 0.299 248 H C 2.222 177.515 175.328 -0.058 0.000 1.090 248 H CA 1.191 57.247 56.048 0.013 0.000 1.332 248 H CB -0.130 29.673 29.762 0.068 0.000 1.386 248 H HN 0.237 nan 8.280 nan 0.000 0.516 249 D N 0.636 121.069 120.400 0.053 0.000 2.104 249 D HA -0.134 4.506 4.640 -0.000 0.000 0.194 249 D C 2.149 178.395 176.300 -0.089 0.000 0.994 249 D CA 1.024 55.011 54.000 -0.021 0.000 0.830 249 D CB -0.233 40.562 40.800 -0.009 0.000 0.959 249 D HN 0.394 nan 8.370 nan 0.000 0.452 250 I N 0.152 120.676 120.570 -0.077 0.000 2.286 250 I HA -0.242 3.928 4.170 -0.000 0.000 0.248 250 I C 2.017 178.045 176.117 -0.149 0.000 1.115 250 I CA 0.587 61.833 61.300 -0.090 0.000 1.392 250 I CB -0.066 37.901 38.000 -0.056 0.000 1.065 250 I HN -0.029 nan 8.210 nan 0.000 0.418 251 L N 0.157 121.269 121.223 -0.185 0.000 2.240 251 L HA -0.024 4.316 4.340 -0.000 0.000 0.211 251 L C 2.484 178.901 176.870 -0.754 0.000 1.106 251 L CA 1.331 55.986 54.840 -0.308 0.000 0.793 251 L CB -0.614 41.332 42.059 -0.188 0.000 0.927 251 L HN 0.058 nan 8.230 nan 0.000 0.446 252 R N -1.068 118.948 120.500 -0.807 0.000 2.159 252 R HA -0.138 4.202 4.340 -0.000 0.000 0.237 252 R C 2.048 177.899 176.300 -0.748 0.000 1.131 252 R CA 1.588 56.978 56.100 -1.183 0.000 0.982 252 R CB -0.809 29.198 30.300 -0.489 0.000 0.868 252 R HN 0.348 nan 8.270 nan 0.000 0.453 253 T N -0.040 114.259 114.554 -0.424 0.000 2.653 253 T HA -0.183 4.167 4.350 -0.000 0.000 0.268 253 T C 1.716 176.287 174.700 -0.216 0.000 1.035 253 T CA 1.787 63.742 62.100 -0.242 0.000 1.154 253 T CB -0.342 68.431 68.868 -0.158 0.000 0.862 253 T HN 0.550 nan 8.240 nan 0.000 0.441 254 G N -0.633 108.014 108.800 -0.256 0.000 3.141 254 G HA2 0.181 4.140 3.960 -0.000 0.000 0.218 254 G HA3 0.181 4.140 3.960 -0.000 0.000 0.218 254 G C 0.943 175.815 174.900 -0.046 0.000 1.170 254 G CA -0.332 44.697 45.100 -0.119 0.000 0.769 254 G HN 0.273 nan 8.290 nan 0.000 0.546 255 F N 2.005 121.813 119.950 -0.237 0.000 2.091 255 F HA -0.069 4.458 4.527 -0.000 0.000 0.299 255 F C 1.965 177.593 175.800 -0.287 0.000 1.103 255 F CA 0.987 58.702 58.000 -0.475 0.000 1.228 255 F CB -0.346 38.132 39.000 -0.870 0.000 0.984 255 F HN 0.137 nan 8.300 nan 0.000 0.477 256 D N -0.821 119.616 120.400 0.062 0.000 2.371 256 D HA -0.047 4.593 4.640 -0.000 0.000 0.221 256 D C 2.274 178.641 176.300 0.111 0.000 0.986 256 D CA 0.514 54.591 54.000 0.128 0.000 0.899 256 D CB -0.147 40.713 40.800 0.101 0.000 0.902 256 D HN 0.279 nan 8.370 nan 0.000 0.530 257 R N 0.150 120.701 120.500 0.086 0.000 2.128 257 R HA 0.079 4.419 4.340 -0.000 0.000 0.211 257 R C 0.745 177.100 176.300 0.092 0.000 1.067 257 R CA 0.209 56.356 56.100 0.078 0.000 1.010 257 R CB 0.201 30.535 30.300 0.056 0.000 0.922 257 R HN 0.035 nan 8.270 nan 0.000 0.457 258 S N 2.812 118.577 115.700 0.108 0.000 2.481 258 S HA 0.117 4.587 4.470 -0.000 0.000 0.282 258 S C -1.944 172.715 174.600 0.100 0.000 1.243 258 S CA -1.115 57.151 58.200 0.110 0.000 1.078 258 S CB 0.934 64.210 63.200 0.127 0.000 0.916 258 S HN 0.077 nan 8.310 nan 0.000 0.495 259 P HA 0.218 nan 4.420 nan 0.000 0.253 259 P C 0.314 177.564 177.300 -0.083 0.000 1.508 259 P CA -0.041 63.014 63.100 -0.075 0.000 0.883 259 P CB -0.014 31.527 31.700 -0.266 0.000 1.519 260 L N -2.086 119.139 121.223 0.003 0.000 2.717 260 L HA 0.270 4.609 4.340 -0.000 0.000 0.239 260 L C 0.877 177.764 176.870 0.027 0.000 1.086 260 L CA -0.373 54.464 54.840 -0.005 0.000 0.897 260 L CB -0.007 42.055 42.059 0.004 0.000 1.214 260 L HN -0.083 nan 8.230 nan 0.000 0.508 261 F N 2.103 121.997 119.950 -0.094 0.000 2.593 261 F HA 0.045 4.572 4.527 -0.000 0.000 0.393 261 F C 0.548 176.266 175.800 -0.138 0.000 1.037 261 F CA 0.286 58.195 58.000 -0.151 0.000 1.195 261 F CB 0.372 39.282 39.000 -0.150 0.000 1.034 261 F HN -0.242 nan 8.300 nan 0.000 0.552 262 T N 5.568 119.744 114.554 -0.629 0.000 2.841 262 T HA 0.628 4.978 4.350 -0.000 0.000 0.285 262 T C -0.073 174.242 174.700 -0.641 0.000 0.991 262 T CA 0.382 62.159 62.100 -0.538 0.000 0.966 262 T CB 0.361 69.074 68.868 -0.258 0.000 0.962 262 T HN 1.603 nan 8.240 nan 0.000 0.438 274 P HA 0.590 nan 4.420 nan 0.000 0.207 274 P C -0.350 176.935 177.300 -0.025 0.000 1.873 274 P CA 0.309 63.404 63.100 -0.009 0.000 1.100 274 P CB 0.605 32.300 31.700 -0.007 0.000 1.831 275 S N 0.492 116.170 115.700 -0.038 0.000 2.633 275 S HA 0.217 4.687 4.470 -0.000 0.000 0.271 275 S C 0.040 174.579 174.600 -0.102 0.000 1.112 275 S CA -0.426 57.736 58.200 -0.062 0.000 0.828 275 S CB 0.706 63.889 63.200 -0.028 0.000 1.086 275 S HN 0.148 nan 8.310 nan 0.000 0.461 276 I N 1.739 122.203 120.570 -0.177 0.000 3.265 276 I HA 0.242 4.412 4.170 -0.000 0.000 0.282 276 I C 1.586 177.639 176.117 -0.107 0.000 1.207 276 I CA 1.241 62.399 61.300 -0.235 0.000 1.449 276 I CB -0.138 37.550 38.000 -0.521 0.000 1.121 276 I HN 0.721 nan 8.210 nan 0.000 0.442 277 E N 0.352 120.538 120.200 -0.024 0.000 2.031 277 E HA -0.261 4.089 4.350 -0.000 0.000 0.193 277 E C 1.747 178.308 176.600 -0.065 0.000 0.994 277 E CA 1.727 58.203 56.400 0.127 0.000 0.800 277 E CB -0.312 29.471 29.700 0.138 0.000 0.752 277 E HN 0.487 nan 8.360 nan 0.000 0.447 278 D N 0.596 120.986 120.400 -0.016 0.000 2.104 278 D HA -0.195 4.445 4.640 -0.000 0.000 0.194 278 D C 1.794 178.098 176.300 0.007 0.000 0.994 278 D CA 1.333 55.329 54.000 -0.007 0.000 0.830 278 D CB 0.056 40.851 40.800 -0.008 0.000 0.959 278 D HN -0.023 nan 8.370 nan 0.000 0.452 279 K N -0.320 120.081 120.400 0.002 0.000 2.001 279 K HA -0.138 4.182 4.320 -0.000 0.000 0.214 279 K C 2.243 178.886 176.600 0.072 0.000 1.050 279 K CA 1.630 57.933 56.287 0.028 0.000 0.934 279 K CB -0.225 32.168 32.500 -0.178 0.000 0.718 279 K HN 0.240 nan 8.250 nan 0.000 0.443 280 I N 0.102 120.675 120.570 0.005 0.000 2.361 280 I HA -0.246 3.924 4.170 -0.000 0.000 0.251 280 I C 2.506 178.697 176.117 0.123 0.000 1.133 280 I CA 0.791 62.160 61.300 0.116 0.000 1.413 280 I CB -0.278 37.862 38.000 0.233 0.000 1.073 280 I HN 0.195 nan 8.210 nan 0.000 0.424 281 S N 0.896 116.615 115.700 0.032 0.000 2.345 281 S HA -0.099 4.371 4.470 -0.000 0.000 0.220 281 S C 2.193 176.779 174.600 -0.023 0.000 1.031 281 S CA 1.233 59.422 58.200 -0.020 0.000 0.996 281 S CB -0.079 63.088 63.200 -0.056 0.000 0.882 281 S HN 0.337 nan 8.310 nan 0.000 0.445 282 R N -1.011 119.456 120.500 -0.056 0.000 2.189 282 R HA 0.075 4.415 4.340 -0.000 0.000 0.218 282 R C -0.304 175.706 176.300 -0.483 0.000 1.074 282 R CA 0.691 56.641 56.100 -0.249 0.000 0.991 282 R CB -0.038 30.109 30.300 -0.256 0.000 0.883 282 R HN 0.353 nan 8.270 nan 0.000 0.457 283 F N 0.580 120.563 119.950 0.054 0.000 2.622 283 F HA 0.286 4.813 4.527 -0.000 0.000 0.338 283 F C -1.753 174.077 175.800 0.050 0.000 1.334 283 F CA -2.199 55.843 58.000 0.069 0.000 1.179 283 F CB 1.742 40.819 39.000 0.129 0.000 1.471 283 F HN -0.147 nan 8.300 nan 0.000 0.576 284 P HA 0.015 nan 4.420 nan 0.000 0.249 284 P C 0.682 178.007 177.300 0.041 0.000 1.229 284 P CA 0.751 63.889 63.100 0.063 0.000 0.788 284 P CB 0.556 32.283 31.700 0.046 0.000 1.072 285 D N 0.231 120.679 120.400 0.079 0.000 2.183 285 D HA 0.011 4.651 4.640 -0.000 0.000 0.205 285 D C 0.712 177.021 176.300 0.016 0.000 0.962 285 D CA 0.728 54.760 54.000 0.054 0.000 0.849 285 D CB -0.016 40.832 40.800 0.080 0.000 0.978 285 D HN 0.166 nan 8.370 nan 0.000 0.488 286 K N 0.848 121.250 120.400 0.003 0.000 2.383 286 K HA 0.115 4.435 4.320 -0.000 0.000 0.286 286 K C 0.618 177.119 176.600 -0.164 0.000 1.051 286 K CA 0.009 56.225 56.287 -0.118 0.000 0.974 286 K CB 0.965 33.310 32.500 -0.258 0.000 0.968 286 K HN -0.199 nan 8.250 nan 0.000 0.475 287 S N 1.707 117.346 115.700 -0.102 0.000 2.671 287 S HA 0.025 4.495 4.470 -0.000 0.000 0.220 287 S C -0.150 174.485 174.600 0.059 0.000 0.951 287 S CA -0.054 58.130 58.200 -0.027 0.000 0.932 287 S CB 0.026 63.229 63.200 0.005 0.000 0.777 287 S HN 0.557 nan 8.310 nan 0.000 0.508 288 S N -0.268 115.396 115.700 -0.061 0.000 2.537 288 S HA 0.598 5.068 4.470 -0.000 0.000 0.271 288 S C -1.825 172.606 174.600 -0.282 0.000 1.148 288 S CA -0.630 57.546 58.200 -0.040 0.000 0.868 288 S CB 0.961 64.089 63.200 -0.119 0.000 1.115 288 S HN 0.516 nan 8.310 nan 0.000 0.461 289 H N 1.369 120.457 119.070 0.029 0.000 2.806 289 H HA 0.447 5.003 4.556 -0.000 0.000 0.367 289 H C -0.758 174.507 175.328 -0.105 0.000 1.136 289 H CA -0.719 55.331 56.048 0.004 0.000 1.178 289 H CB 1.114 30.957 29.762 0.134 0.000 1.718 289 H HN 0.563 nan 8.280 nan 0.000 0.540 290 H N 2.396 121.513 119.070 0.078 0.000 2.683 290 H HA 0.260 4.816 4.556 -0.000 0.000 0.339 290 H C -0.082 175.173 175.328 -0.121 0.000 1.081 290 H CA 0.121 56.101 56.048 -0.114 0.000 1.432 290 H CB 0.915 30.558 29.762 -0.198 0.000 1.462 290 H HN 0.507 nan 8.280 nan 0.000 0.557 291 I N -0.207 120.275 120.570 -0.146 0.000 2.582 291 I HA 0.409 4.579 4.170 -0.000 0.000 0.292 291 I C -1.314 174.651 176.117 -0.254 0.000 1.066 291 I CA -0.846 60.402 61.300 -0.086 0.000 1.053 291 I CB 1.626 39.632 38.000 0.010 0.000 1.241 291 I HN 0.110 nan 8.210 nan 0.000 0.421 292 F N 5.886 125.896 119.950 0.100 0.000 2.426 292 F HA 0.571 5.097 4.527 -0.000 0.000 0.348 292 F C -0.305 175.563 175.800 0.113 0.000 1.124 292 F CA -0.702 57.358 58.000 0.100 0.000 1.008 292 F CB 1.681 40.731 39.000 0.083 0.000 1.139 292 F HN 0.276 nan 8.300 nan 0.000 0.452 293 L N 4.256 125.641 121.223 0.270 0.000 2.278 293 L HA 0.408 4.748 4.340 -0.000 0.000 0.287 293 L C -0.443 176.609 176.870 0.303 0.000 1.072 293 L CA -0.221 54.759 54.840 0.235 0.000 0.819 293 L CB 0.635 42.791 42.059 0.161 0.000 1.176 293 L HN 0.611 nan 8.230 nan 0.000 0.435 294 E N 4.989 125.354 120.200 0.275 0.000 2.185 294 E HA 0.345 4.695 4.350 -0.000 0.000 0.261 294 E C -2.477 174.237 176.600 0.190 0.000 0.879 294 E CA -2.090 54.441 56.400 0.219 0.000 0.756 294 E CB 1.812 31.606 29.700 0.157 0.000 1.152 294 E HN 0.297 nan 8.360 nan 0.000 0.416 295 P HA -0.053 nan 4.420 nan 0.000 0.266 295 P C -0.043 177.302 177.300 0.075 0.000 1.195 295 P CA 0.283 63.464 63.100 0.135 0.000 0.768 295 P CB 0.658 32.444 31.700 0.143 0.000 0.838 296 E N 0.782 121.021 120.200 0.065 0.000 2.474 296 E HA 0.197 4.546 4.350 -0.000 0.000 0.194 296 E C 0.800 177.409 176.600 0.015 0.000 1.041 296 E CA -0.027 56.390 56.400 0.028 0.000 0.874 296 E CB 0.340 30.070 29.700 0.049 0.000 0.914 296 E HN 0.601 nan 8.360 nan 0.000 0.498 297 G N -0.357 108.461 108.800 0.029 0.000 2.576 297 G HA2 0.111 4.071 3.960 -0.000 0.000 0.290 297 G HA3 0.111 4.071 3.960 -0.000 0.000 0.290 297 G C 0.520 175.440 174.900 0.032 0.000 1.442 297 G CA -0.245 44.870 45.100 0.025 0.000 0.792 297 G HN -0.029 nan 8.290 nan 0.000 0.491 298 T N -1.913 112.658 114.554 0.028 0.000 2.867 298 T HA 0.007 4.357 4.350 -0.000 0.000 0.268 298 T C 0.711 175.428 174.700 0.029 0.000 1.057 298 T CA 1.925 64.043 62.100 0.029 0.000 1.136 298 T CB -0.110 68.773 68.868 0.026 0.000 0.874 298 T HN 0.643 nan 8.240 nan 0.000 0.466 299 D N 0.314 120.730 120.400 0.026 0.000 2.945 299 D HA 0.282 4.922 4.640 -0.000 0.000 0.369 299 D C -0.523 175.792 176.300 0.025 0.000 1.294 299 D CA -0.494 53.520 54.000 0.023 0.000 0.778 299 D CB 0.061 40.871 40.800 0.017 0.000 1.188 299 D HN 0.166 nan 8.370 nan 0.000 0.479 300 T N -1.086 113.487 114.554 0.032 0.000 2.952 300 T HA 0.356 4.706 4.350 -0.000 0.000 0.286 300 T C 0.418 175.141 174.700 0.039 0.000 1.024 300 T CA -0.574 61.546 62.100 0.034 0.000 1.029 300 T CB 2.116 71.007 68.868 0.038 0.000 1.094 300 T HN -0.060 nan 8.240 nan 0.000 0.515 301 V N 1.928 121.865 119.914 0.037 0.000 3.621 301 V HA 0.386 4.506 4.120 -0.000 0.000 0.285 301 V C 0.739 176.862 176.094 0.047 0.000 1.346 301 V CA 0.247 62.571 62.300 0.040 0.000 1.104 301 V CB -0.428 31.413 31.823 0.029 0.000 0.913 301 V HN 0.864 nan 8.190 nan 0.000 0.432 302 E N 1.416 121.648 120.200 0.052 0.000 2.289 302 E HA 0.373 4.723 4.350 -0.000 0.000 0.278 302 E C -0.476 176.173 176.600 0.081 0.000 1.032 302 E CA -0.184 56.252 56.400 0.061 0.000 0.854 302 E CB 0.884 30.622 29.700 0.063 0.000 1.046 302 E HN 0.462 nan 8.360 nan 0.000 0.409 303 M N 4.986 124.637 119.600 0.086 0.000 2.327 303 M HA 0.241 4.721 4.480 -0.000 0.000 0.298 303 M C -1.758 174.627 176.300 0.141 0.000 1.065 303 M CA -0.790 54.580 55.300 0.116 0.000 0.916 303 M CB 1.348 34.002 32.600 0.089 0.000 1.630 303 M HN 0.596 nan 8.290 nan 0.000 0.442 304 Y N 4.365 124.688 120.300 0.038 0.000 2.316 304 Y HA 0.489 5.039 4.550 -0.000 0.000 0.331 304 Y C -0.791 175.135 175.900 0.044 0.000 1.083 304 Y CA -0.276 57.844 58.100 0.033 0.000 1.206 304 Y CB 0.970 39.447 38.460 0.029 0.000 1.195 304 Y HN 0.414 nan 8.280 nan 0.000 0.497 305 V N 6.845 126.592 119.914 -0.278 0.000 2.218 305 V HA 0.096 4.216 4.120 -0.000 0.000 0.261 305 V C -0.040 175.935 176.094 -0.199 0.000 1.142 305 V CA -0.885 61.313 62.300 -0.170 0.000 0.965 305 V CB -0.367 31.331 31.823 -0.208 0.000 1.190 305 V HN 0.741 nan 8.190 nan 0.000 0.478 306 N N 3.094 121.828 118.700 0.057 0.000 2.454 306 N HA 0.338 5.078 4.740 -0.000 0.000 0.254 306 N C 1.290 176.935 175.510 0.225 0.000 1.228 306 N CA 1.765 54.944 53.050 0.215 0.000 0.900 306 N CB 0.811 39.558 38.487 0.434 0.000 1.089 306 N HN 0.872 nan 8.380 nan 0.000 0.449 307 G N 2.056 110.960 108.800 0.174 0.000 2.148 307 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.254 307 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.254 307 G C 0.098 175.081 174.900 0.138 0.000 0.981 307 G CA 0.321 45.513 45.100 0.154 0.000 0.670 307 G HN 0.594 nan 8.290 nan 0.000 0.528 308 F N 2.123 122.037 119.950 -0.061 0.000 2.841 308 F HA 0.548 5.075 4.527 -0.000 0.000 0.358 308 F C 0.875 176.614 175.800 -0.101 0.000 1.261 308 F CA -0.310 57.644 58.000 -0.077 0.000 1.233 308 F CB 0.672 39.617 39.000 -0.092 0.000 1.008 308 F HN 0.044 nan 8.300 nan 0.000 0.507 309 S N 1.181 116.829 115.700 -0.087 0.000 2.537 309 S HA 0.316 4.786 4.470 -0.000 0.000 0.286 309 S C 0.235 174.740 174.600 -0.159 0.000 1.299 309 S CA 0.505 58.641 58.200 -0.107 0.000 1.067 309 S CB 0.753 63.902 63.200 -0.085 0.000 0.864 309 S HN 0.471 nan 8.310 nan 0.000 0.494 310 T N 1.376 115.868 114.554 -0.104 0.000 2.889 310 T HA 0.439 4.789 4.350 -0.000 0.000 0.315 310 T C -0.187 174.520 174.700 0.010 0.000 1.291 310 T CA -0.661 61.385 62.100 -0.090 0.000 1.028 310 T CB 1.302 70.077 68.868 -0.155 0.000 1.235 310 T HN 0.295 nan 8.240 nan 0.000 0.491 311 S N 2.292 118.016 115.700 0.039 0.000 2.819 311 S HA 0.362 4.832 4.470 -0.000 0.000 0.249 311 S C 0.415 175.073 174.600 0.097 0.000 1.030 311 S CA -0.436 57.822 58.200 0.096 0.000 1.052 311 S CB -0.157 63.098 63.200 0.091 0.000 1.017 311 S HN 0.587 nan 8.310 nan 0.000 0.576 312 L N 2.432 123.698 121.223 0.072 0.000 2.473 312 L HA 0.237 4.577 4.340 -0.000 0.000 0.268 312 L C -2.344 174.573 176.870 0.078 0.000 1.215 312 L CA -1.904 52.974 54.840 0.062 0.000 0.823 312 L CB -0.311 41.765 42.059 0.028 0.000 1.099 312 L HN -0.066 nan 8.230 nan 0.000 0.483 313 P HA -0.060 nan 4.420 nan 0.000 0.264 313 P C 0.383 177.729 177.300 0.076 0.000 1.183 313 P CA 0.137 63.278 63.100 0.068 0.000 0.763 313 P CB 0.502 32.229 31.700 0.045 0.000 0.807 314 E N 2.862 123.118 120.200 0.093 0.000 2.108 314 E HA -0.347 4.003 4.350 -0.000 0.000 0.203 314 E C 1.256 177.895 176.600 0.066 0.000 1.022 314 E CA 2.036 58.492 56.400 0.094 0.000 0.823 314 E CB -0.110 29.651 29.700 0.101 0.000 0.744 314 E HN 0.566 nan 8.360 nan 0.000 0.456 315 D N 0.046 120.476 120.400 0.050 0.000 2.224 315 D HA -0.159 4.481 4.640 -0.000 0.000 0.205 315 D C 1.977 178.290 176.300 0.023 0.000 0.965 315 D CA 0.791 54.809 54.000 0.030 0.000 0.852 315 D CB -0.395 40.418 40.800 0.022 0.000 0.947 315 D HN 0.401 nan 8.370 nan 0.000 0.494 316 I N 0.222 120.808 120.570 0.027 0.000 2.500 316 I HA -0.178 3.992 4.170 -0.000 0.000 0.252 316 I C 2.652 178.798 176.117 0.047 0.000 1.142 316 I CA 0.496 61.806 61.300 0.016 0.000 1.451 316 I CB -0.151 37.844 38.000 -0.007 0.000 1.093 316 I HN -0.077 nan 8.210 nan 0.000 0.430 317 Q N 0.752 120.602 119.800 0.082 0.000 2.030 317 Q HA -0.210 4.130 4.340 -0.000 0.000 0.204 317 Q C 2.388 178.431 176.000 0.071 0.000 0.986 317 Q CA 1.702 57.594 55.803 0.148 0.000 0.843 317 Q CB -0.132 28.704 28.738 0.164 0.000 0.904 317 Q HN 0.517 nan 8.270 nan 0.000 0.420 318 I N 0.549 121.132 120.570 0.022 0.000 2.226 318 I HA -0.269 3.901 4.170 -0.000 0.000 0.245 318 I C 2.426 178.522 176.117 -0.035 0.000 1.100 318 I CA 0.889 62.174 61.300 -0.026 0.000 1.374 318 I CB -0.492 37.498 38.000 -0.018 0.000 1.057 318 I HN 0.177 nan 8.210 nan 0.000 0.413 319 A N 1.003 123.815 122.820 -0.013 0.000 1.940 319 A HA -0.133 4.186 4.320 -0.000 0.000 0.219 319 A C 2.409 179.979 177.584 -0.023 0.000 1.176 319 A CA 1.975 53.999 52.037 -0.021 0.000 0.631 319 A CB -1.267 17.724 19.000 -0.016 0.000 0.814 319 A HN 0.476 nan 8.150 nan 0.000 0.446 320 G N -0.447 108.359 108.800 0.012 0.000 2.394 320 G HA2 -0.031 3.929 3.960 -0.000 0.000 0.214 320 G HA3 -0.031 3.929 3.960 -0.000 0.000 0.214 320 G C 1.462 176.331 174.900 -0.051 0.000 1.176 320 G CA 0.935 46.062 45.100 0.045 0.000 0.786 320 G HN 0.365 nan 8.290 nan 0.000 0.533 321 L N 0.324 121.449 121.223 -0.163 0.000 2.042 321 L HA -0.036 4.303 4.340 -0.000 0.000 0.210 321 L C 2.992 179.742 176.870 -0.201 0.000 1.076 321 L CA 1.307 55.955 54.840 -0.319 0.000 0.749 321 L CB -0.216 41.629 42.059 -0.357 0.000 0.893 321 L HN 0.102 nan 8.230 nan 0.000 0.432 322 R N -0.908 119.512 120.500 -0.134 0.000 2.237 322 R HA -0.085 4.255 4.340 -0.000 0.000 0.219 322 R C 2.337 178.579 176.300 -0.096 0.000 1.080 322 R CA 1.250 57.285 56.100 -0.107 0.000 0.995 322 R CB -0.353 29.899 30.300 -0.079 0.000 0.875 322 R HN 0.543 nan 8.270 nan 0.000 0.462 323 S N 0.392 116.037 115.700 -0.093 0.000 2.470 323 S HA 0.034 4.504 4.470 -0.000 0.000 0.225 323 S C 1.028 175.571 174.600 -0.095 0.000 1.006 323 S CA 0.025 58.176 58.200 -0.082 0.000 0.934 323 S CB -0.158 62.998 63.200 -0.072 0.000 0.778 323 S HN 0.083 nan 8.310 nan 0.000 0.517 324 I N 4.553 125.053 120.570 -0.116 0.000 2.598 324 I HA 0.160 4.330 4.170 -0.000 0.000 0.284 324 I C -2.161 173.887 176.117 -0.114 0.000 1.140 324 I CA -2.085 59.143 61.300 -0.121 0.000 1.420 324 I CB 0.301 38.209 38.000 -0.153 0.000 1.387 324 I HN 0.079 nan 8.210 nan 0.000 0.553 325 P HA -0.029 nan 4.420 nan 0.000 0.264 325 P C 0.844 178.080 177.300 -0.107 0.000 1.183 325 P CA 0.701 63.747 63.100 -0.090 0.000 0.763 325 P CB 0.728 32.383 31.700 -0.075 0.000 0.807 326 G N 2.638 111.371 108.800 -0.111 0.000 2.241 326 G HA2 -0.252 3.707 3.960 -0.000 0.000 0.244 326 G HA3 -0.252 3.707 3.960 -0.000 0.000 0.244 326 G C 0.385 175.179 174.900 -0.176 0.000 0.998 326 G CA 0.104 45.115 45.100 -0.148 0.000 0.621 326 G HN 0.508 nan 8.290 nan 0.000 0.519 327 L N 0.301 121.431 121.223 -0.155 0.000 3.110 327 L HA 0.398 4.738 4.340 -0.000 0.000 0.266 327 L C 1.635 178.427 176.870 -0.130 0.000 1.257 327 L CA -0.186 54.558 54.840 -0.161 0.000 1.038 327 L CB 0.681 42.630 42.059 -0.184 0.000 1.395 327 L HN 0.051 nan 8.230 nan 0.000 0.566 328 E N 0.984 121.119 120.200 -0.108 0.000 2.204 328 E HA -0.138 4.212 4.350 -0.000 0.000 0.195 328 E C 0.843 177.398 176.600 -0.076 0.000 0.990 328 E CA 1.064 57.413 56.400 -0.085 0.000 0.821 328 E CB 0.162 29.820 29.700 -0.070 0.000 0.750 328 E HN 0.407 nan 8.360 nan 0.000 0.477 329 E N -0.204 119.947 120.200 -0.081 0.000 2.736 329 E HA 0.319 4.669 4.350 -0.000 0.000 0.208 329 E C -0.742 175.814 176.600 -0.073 0.000 0.996 329 E CA -0.316 56.045 56.400 -0.066 0.000 1.104 329 E CB 1.042 30.709 29.700 -0.055 0.000 1.111 329 E HN 0.079 nan 8.360 nan 0.000 0.455 330 A N 1.715 124.480 122.820 -0.091 0.000 2.492 330 A HA 0.138 4.458 4.320 -0.000 0.000 0.254 330 A C 0.049 177.590 177.584 -0.073 0.000 1.091 330 A CA 0.204 52.183 52.037 -0.097 0.000 0.768 330 A CB 0.150 19.072 19.000 -0.130 0.000 1.028 330 A HN 0.069 nan 8.150 nan 0.000 0.498 331 K N 2.446 122.811 120.400 -0.058 0.000 2.234 331 K HA 0.346 4.666 4.320 -0.000 0.000 0.277 331 K C -0.422 176.156 176.600 -0.037 0.000 1.038 331 K CA 0.006 56.270 56.287 -0.039 0.000 0.888 331 K CB 1.434 33.919 32.500 -0.025 0.000 1.091 331 K HN 0.816 nan 8.250 nan 0.000 0.467 332 M N 5.756 125.337 119.600 -0.032 0.000 2.063 332 M HA 0.201 4.681 4.480 -0.000 0.000 0.348 332 M C 0.182 176.481 176.300 -0.002 0.000 1.180 332 M CA -0.185 55.099 55.300 -0.025 0.000 1.059 332 M CB 0.541 33.124 32.600 -0.027 0.000 1.544 332 M HN 0.713 nan 8.290 nan 0.000 0.447 333 I N 3.137 123.711 120.570 0.007 0.000 2.333 333 I HA -0.083 4.087 4.170 -0.000 0.000 0.246 333 I C 0.589 176.729 176.117 0.038 0.000 1.106 333 I CA 0.962 62.275 61.300 0.021 0.000 1.411 333 I CB 0.016 38.032 38.000 0.027 0.000 1.082 333 I HN 0.636 nan 8.210 nan 0.000 0.420 334 R N 0.423 120.953 120.500 0.050 0.000 2.795 334 R HA 0.408 4.748 4.340 -0.000 0.000 0.275 334 R C -2.634 173.721 176.300 0.091 0.000 0.981 334 R CA -1.825 54.326 56.100 0.084 0.000 0.917 334 R CB 1.578 31.951 30.300 0.121 0.000 1.202 334 R HN -0.174 nan 8.270 nan 0.000 0.469 335 P HA 0.114 nan 4.420 nan 0.000 0.281 335 P C -0.273 177.141 177.300 0.189 0.000 1.249 335 P CA -0.368 62.821 63.100 0.149 0.000 0.810 335 P CB 0.907 32.709 31.700 0.170 0.000 1.008 336 G N 1.534 110.417 108.800 0.137 0.000 2.483 336 G HA2 0.449 4.409 3.960 -0.000 0.000 0.248 336 G HA3 0.449 4.409 3.960 -0.000 0.000 0.248 336 G C -0.947 174.046 174.900 0.154 0.000 1.248 336 G CA -0.160 44.978 45.100 0.063 0.000 0.838 336 G HN 0.632 nan 8.290 nan 0.000 0.566 337 Y N -1.278 119.077 120.300 0.091 0.000 2.689 337 Y HA 0.793 5.343 4.550 -0.000 0.000 0.333 337 Y C -0.256 175.704 175.900 0.100 0.000 1.190 337 Y CA -1.514 56.651 58.100 0.108 0.000 1.063 337 Y CB 1.090 39.629 38.460 0.132 0.000 1.294 337 Y HN 0.796 nan 8.280 nan 0.000 0.466 338 A N 1.322 124.395 122.820 0.421 0.000 2.374 338 A HA 0.742 5.062 4.320 -0.000 0.000 0.317 338 A C -1.857 175.998 177.584 0.452 0.000 1.094 338 A CA -0.753 51.469 52.037 0.308 0.000 0.765 338 A CB 1.364 20.466 19.000 0.170 0.000 1.268 338 A HN 0.846 nan 8.150 nan 0.000 0.438 339 I N 0.717 121.503 120.570 0.360 0.000 2.362 339 I HA 0.417 4.587 4.170 -0.000 0.000 0.289 339 I C -0.159 176.180 176.117 0.371 0.000 0.994 339 I CA -0.071 61.441 61.300 0.353 0.000 1.158 339 I CB 1.282 39.447 38.000 0.275 0.000 1.315 339 I HN 0.724 nan 8.210 nan 0.000 0.451 340 E N 7.084 127.497 120.200 0.355 0.000 2.175 340 E HA 0.453 4.803 4.350 -0.000 0.000 0.278 340 E C -1.804 174.968 176.600 0.286 0.000 0.969 340 E CA -0.559 55.994 56.400 0.255 0.000 0.796 340 E CB 1.050 30.891 29.700 0.236 0.000 1.104 340 E HN 0.581 nan 8.360 nan 0.000 0.395 341 Y N 0.530 120.875 120.300 0.074 0.000 2.625 341 Y HA 0.442 4.992 4.550 -0.000 0.000 0.338 341 Y C -1.144 174.795 175.900 0.065 0.000 1.123 341 Y CA -1.606 56.526 58.100 0.053 0.000 1.046 341 Y CB 0.663 39.136 38.460 0.021 0.000 1.299 341 Y HN 0.195 nan 8.280 nan 0.000 0.464 342 D N 2.399 122.870 120.400 0.118 0.000 2.308 342 D HA 0.351 4.990 4.640 -0.000 0.000 0.251 342 D C -0.791 175.470 176.300 -0.065 0.000 1.127 342 D CA 0.370 54.332 54.000 -0.063 0.000 0.876 342 D CB 0.919 41.583 40.800 -0.226 0.000 1.176 342 D HN 0.584 nan 8.370 nan 0.000 0.446 343 F N -0.128 119.595 119.950 -0.379 0.000 2.588 343 F HA 0.680 5.207 4.527 -0.000 0.000 0.314 343 F C -1.568 173.887 175.800 -0.575 0.000 1.069 343 F CA -1.411 56.372 58.000 -0.362 0.000 0.931 343 F CB 0.999 39.889 39.000 -0.184 0.000 1.260 343 F HN 0.029 nan 8.300 nan 0.000 0.465 344 F N 1.695 121.560 119.950 -0.141 0.000 2.411 344 F HA 0.383 4.909 4.527 -0.000 0.000 0.352 344 F C 0.079 175.786 175.800 -0.154 0.000 1.123 344 F CA -0.724 57.157 58.000 -0.197 0.000 1.044 344 F CB 0.732 39.801 39.000 0.115 0.000 1.135 344 F HN 0.551 nan 8.300 nan 0.000 0.461 345 H N 4.166 123.109 119.070 -0.212 0.000 3.192 345 H HA -0.008 4.548 4.556 -0.000 0.000 0.295 345 H C -1.709 173.391 175.328 -0.381 0.000 0.943 345 H CA -0.725 55.030 56.048 -0.488 0.000 1.416 345 H CB 0.085 28.944 29.762 -1.505 0.000 1.434 345 H HN 0.376 nan 8.280 nan 0.000 0.565 346 P HA -0.145 nan 4.420 nan 0.000 0.234 346 P C 0.661 178.047 177.300 0.144 0.000 1.167 346 P CA 0.689 63.863 63.100 0.123 0.000 0.763 346 P CB -0.053 31.744 31.700 0.161 0.000 0.835 347 W N -0.086 121.325 121.300 0.186 0.000 2.584 347 W HA 0.043 4.703 4.660 -0.000 0.000 0.264 347 W C 1.431 178.001 176.519 0.085 0.000 1.264 347 W CA 0.540 57.945 57.345 0.100 0.000 1.306 347 W CB -1.690 27.811 29.460 0.069 0.000 1.110 347 W HN -0.040 nan 8.180 nan 0.000 0.606 348 Q N 1.249 121.059 119.800 0.016 0.000 2.436 348 Q HA 0.029 4.369 4.340 -0.000 0.000 0.209 348 Q C 0.829 176.852 176.000 0.040 0.000 0.965 348 Q CA 0.786 56.632 55.803 0.073 0.000 0.910 348 Q CB -0.266 28.504 28.738 0.053 0.000 0.980 348 Q HN 0.610 nan 8.270 nan 0.000 0.491 349 I N -2.634 117.964 120.570 0.046 0.000 2.525 349 I HA 0.435 4.605 4.170 -0.000 0.000 0.301 349 I C -0.162 175.965 176.117 0.018 0.000 0.992 349 I CA -1.253 60.039 61.300 -0.013 0.000 1.162 349 I CB 1.564 39.569 38.000 0.009 0.000 1.332 349 I HN -0.250 nan 8.210 nan 0.000 0.458 350 R N 2.135 122.619 120.500 -0.027 0.000 2.652 350 R HA 0.210 4.550 4.340 -0.000 0.000 0.271 350 R C 1.260 177.576 176.300 0.025 0.000 1.129 350 R CA -0.133 55.963 56.100 -0.006 0.000 1.200 350 R CB 0.740 31.018 30.300 -0.037 0.000 1.146 350 R HN 0.816 nan 8.270 nan 0.000 0.581 351 S N -0.634 115.085 115.700 0.032 0.000 2.469 351 S HA -0.122 4.348 4.470 -0.000 0.000 0.238 351 S C 1.547 176.186 174.600 0.066 0.000 0.998 351 S CA 1.613 59.841 58.200 0.048 0.000 0.957 351 S CB -0.045 63.178 63.200 0.037 0.000 0.764 351 S HN 0.644 nan 8.310 nan 0.000 0.514 352 T N 0.899 115.489 114.554 0.060 0.000 3.107 352 T HA 0.220 4.570 4.350 -0.000 0.000 0.249 352 T C 0.837 175.632 174.700 0.159 0.000 1.096 352 T CA 0.385 62.544 62.100 0.098 0.000 1.012 352 T CB -0.309 68.607 68.868 0.080 0.000 0.977 352 T HN 0.349 nan 8.240 nan 0.000 0.527 353 M N 0.147 119.817 119.600 0.118 0.000 2.961 353 M HA -0.137 4.343 4.480 -0.000 0.000 0.198 353 M C 0.119 176.432 176.300 0.023 0.000 0.610 353 M CA 0.726 56.128 55.300 0.170 0.000 0.755 353 M CB -1.885 30.895 32.600 0.300 0.000 2.707 353 M HN 0.494 nan 8.290 nan 0.000 0.299 354 E N 1.885 121.917 120.200 -0.280 0.000 2.343 354 E HA 0.324 4.674 4.350 -0.000 0.000 0.269 354 E C 0.384 176.727 176.600 -0.428 0.000 1.047 354 E CA 0.369 56.299 56.400 -0.784 0.000 0.874 354 E CB 1.075 30.299 29.700 -0.793 0.000 1.033 354 E HN 0.333 nan 8.360 nan 0.000 0.409 355 T N 1.410 115.683 114.554 -0.468 0.000 2.910 355 T HA 0.271 4.621 4.350 -0.000 0.000 0.293 355 T C 0.947 175.521 174.700 -0.210 0.000 1.015 355 T CA -0.545 61.359 62.100 -0.327 0.000 1.094 355 T CB 1.479 70.128 68.868 -0.364 0.000 0.968 355 T HN 0.537 nan 8.240 nan 0.000 0.521 356 R N 1.517 121.928 120.500 -0.150 0.000 2.055 356 R HA 0.049 4.388 4.340 -0.000 0.000 0.228 356 R C -0.511 175.697 176.300 -0.154 0.000 1.143 356 R CA 1.131 57.161 56.100 -0.116 0.000 0.945 356 R CB -1.512 28.755 30.300 -0.055 0.000 0.841 356 R HN 0.541 nan 8.270 nan 0.000 0.429 357 P HA -0.108 nan 4.420 nan 0.000 0.219 357 P C -0.207 176.998 177.300 -0.160 0.000 1.146 357 P CA 1.107 64.007 63.100 -0.333 0.000 0.808 357 P CB 0.306 31.483 31.700 -0.872 0.000 0.779 358 V N -1.063 118.803 119.914 -0.080 0.000 2.655 358 V HA 0.264 4.384 4.120 -0.000 0.000 0.301 358 V C -0.773 175.305 176.094 -0.027 0.000 1.082 358 V CA -1.135 61.169 62.300 0.008 0.000 0.899 358 V CB 1.797 33.695 31.823 0.125 0.000 1.014 358 V HN -0.121 nan 8.190 nan 0.000 0.429 359 E N 5.249 125.442 120.200 -0.011 0.000 2.415 359 E HA 0.189 4.538 4.350 -0.000 0.000 0.262 359 E C 0.621 177.238 176.600 0.028 0.000 1.038 359 E CA 0.625 57.008 56.400 -0.028 0.000 0.921 359 E CB 0.329 30.034 29.700 0.009 0.000 0.950 359 E HN 0.874 nan 8.360 nan 0.000 0.438 360 N N 0.751 119.440 118.700 -0.019 0.000 2.863 360 N HA -0.237 4.503 4.740 -0.000 0.000 0.245 360 N C -0.906 174.655 175.510 0.084 0.000 1.001 360 N CA 0.743 53.880 53.050 0.145 0.000 0.901 360 N CB -1.155 37.484 38.487 0.253 0.000 1.124 360 N HN 0.336 nan 8.380 nan 0.000 0.582 361 L N 1.063 122.221 121.223 -0.108 0.000 2.280 361 L HA 0.560 4.900 4.340 -0.000 0.000 0.287 361 L C -0.765 175.982 176.870 -0.205 0.000 1.023 361 L CA -0.420 54.354 54.840 -0.110 0.000 0.819 361 L CB 0.447 42.465 42.059 -0.067 0.000 1.212 361 L HN -0.048 nan 8.230 nan 0.000 0.420 362 F N 4.591 124.498 119.950 -0.072 0.000 2.492 362 F HA 0.567 5.094 4.527 -0.000 0.000 0.327 362 F C -0.392 175.570 175.800 0.270 0.000 1.079 362 F CA -0.526 57.481 58.000 0.013 0.000 0.967 362 F CB 1.394 40.401 39.000 0.011 0.000 1.169 362 F HN 0.154 nan 8.300 nan 0.000 0.472 363 F N 1.801 121.817 119.950 0.110 0.000 2.467 363 F HA 0.743 5.269 4.527 -0.000 0.000 0.336 363 F C -0.047 175.819 175.800 0.110 0.000 1.123 363 F CA -1.854 56.182 58.000 0.059 0.000 0.964 363 F CB 1.362 40.371 39.000 0.014 0.000 1.136 363 F HN 0.501 nan 8.300 nan 0.000 0.447 364 A N 2.091 125.056 122.820 0.242 0.000 2.427 364 A HA 0.856 5.176 4.320 -0.000 0.000 0.298 364 A C 0.019 177.683 177.584 0.133 0.000 1.036 364 A CA 0.030 52.176 52.037 0.182 0.000 0.701 364 A CB 1.383 20.475 19.000 0.153 0.000 1.250 364 A HN 1.558 nan 8.150 nan 0.000 0.412 365 G N 0.760 109.644 108.800 0.140 0.000 2.416 365 G HA2 -0.023 3.937 3.960 -0.000 0.000 0.203 365 G HA3 -0.023 3.937 3.960 -0.000 0.000 0.203 365 G C 0.625 175.592 174.900 0.112 0.000 1.227 365 G CA 0.576 45.748 45.100 0.119 0.000 1.041 365 G HN 1.191 nan 8.290 nan 0.000 0.546 366 Q N -0.373 119.471 119.800 0.074 0.000 2.297 366 Q HA 0.148 4.488 4.340 -0.000 0.000 0.208 366 Q C 2.478 178.569 176.000 0.153 0.000 0.981 366 Q CA 2.031 57.866 55.803 0.054 0.000 0.876 366 Q CB -0.247 28.429 28.738 -0.104 0.000 0.921 366 Q HN 0.578 nan 8.270 nan 0.000 0.446 367 I N 0.140 120.793 120.570 0.138 0.000 2.756 367 I HA -0.190 3.980 4.170 -0.000 0.000 0.262 367 I C 0.406 176.692 176.117 0.282 0.000 1.225 367 I CA 0.626 62.037 61.300 0.184 0.000 1.472 367 I CB 0.079 38.104 38.000 0.041 0.000 1.094 367 I HN 0.211 nan 8.210 nan 0.000 0.454 368 N N 1.123 119.977 118.700 0.257 0.000 2.314 368 N HA 0.111 4.851 4.740 -0.000 0.000 0.200 368 N C 1.030 176.680 175.510 0.232 0.000 1.135 368 N CA 0.838 54.064 53.050 0.294 0.000 0.835 368 N CB 0.501 39.139 38.487 0.251 0.000 0.989 368 N HN 0.381 nan 8.380 nan 0.000 0.478 369 G N 0.705 109.604 108.800 0.165 0.000 2.198 369 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.260 369 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.260 369 G C 0.304 175.182 174.900 -0.036 0.000 1.025 369 G CA 1.050 46.058 45.100 -0.154 0.000 0.769 369 G HN 0.494 nan 8.290 nan 0.000 0.507 370 T N -1.036 113.567 114.554 0.081 0.000 2.936 370 T HA 0.769 5.119 4.350 -0.000 0.000 0.282 370 T C 0.353 175.089 174.700 0.059 0.000 1.003 370 T CA 0.698 62.863 62.100 0.108 0.000 1.005 370 T CB 1.636 70.595 68.868 0.152 0.000 1.097 370 T HN 1.640 nan 8.240 nan 0.000 0.532 371 S N 0.516 116.229 115.700 0.020 0.000 2.547 371 S HA 0.819 5.289 4.470 -0.000 0.000 0.281 371 S C -0.294 174.244 174.600 -0.104 0.000 1.118 371 S CA 0.075 58.249 58.200 -0.044 0.000 0.947 371 S CB 1.137 64.310 63.200 -0.045 0.000 1.053 371 S HN 1.841 nan 8.310 nan 0.000 0.482 372 G N 1.870 110.558 108.800 -0.187 0.000 2.326 372 G HA2 0.218 4.178 3.960 -0.000 0.000 0.478 372 G HA3 0.218 4.178 3.960 -0.000 0.000 0.478 372 G C -0.591 174.152 174.900 -0.263 0.000 1.551 372 G CA -0.523 44.400 45.100 -0.295 0.000 0.946 372 G HN 0.625 nan 8.290 nan 0.000 0.671 373 Y N 0.699 120.834 120.300 -0.275 0.000 2.153 373 Y HA 0.038 4.588 4.550 -0.000 0.000 0.289 373 Y C 2.778 178.553 175.900 -0.208 0.000 1.127 373 Y CA 1.985 59.811 58.100 -0.457 0.000 1.131 373 Y CB -0.584 37.372 38.460 -0.840 0.000 0.995 373 Y HN 0.695 nan 8.280 nan 0.000 0.505 374 E N 0.573 120.773 120.200 -0.001 0.000 2.058 374 E HA -0.211 4.139 4.350 -0.000 0.000 0.194 374 E C 1.952 178.586 176.600 0.056 0.000 0.997 374 E CA 1.729 58.151 56.400 0.036 0.000 0.801 374 E CB -0.344 29.366 29.700 0.017 0.000 0.746 374 E HN 0.455 nan 8.360 nan 0.000 0.450 375 E N 0.439 120.656 120.200 0.028 0.000 2.085 375 E HA -0.200 4.150 4.350 -0.000 0.000 0.194 375 E C 1.952 178.607 176.600 0.093 0.000 0.994 375 E CA 1.511 57.949 56.400 0.063 0.000 0.801 375 E CB -0.306 29.416 29.700 0.037 0.000 0.743 375 E HN 0.339 nan 8.360 nan 0.000 0.453 376 A N 0.747 123.617 122.820 0.084 0.000 1.897 376 A HA 0.021 4.341 4.320 -0.000 0.000 0.215 376 A C 2.349 180.020 177.584 0.145 0.000 1.181 376 A CA 1.555 53.665 52.037 0.121 0.000 0.620 376 A CB -0.778 18.304 19.000 0.137 0.000 0.821 376 A HN 0.285 nan 8.150 nan 0.000 0.443 377 A N 0.103 123.016 122.820 0.156 0.000 1.877 377 A HA 0.120 4.440 4.320 -0.000 0.000 0.216 377 A C 2.509 180.172 177.584 0.132 0.000 1.186 377 A CA 2.197 54.333 52.037 0.164 0.000 0.620 377 A CB -1.084 18.021 19.000 0.174 0.000 0.822 377 A HN 1.082 nan 8.150 nan 0.000 0.443 378 A N -0.813 122.081 122.820 0.125 0.000 1.940 378 A HA -0.231 4.089 4.320 -0.000 0.000 0.219 378 A C 2.123 179.779 177.584 0.121 0.000 1.176 378 A CA 1.789 53.899 52.037 0.122 0.000 0.631 378 A CB -0.544 18.532 19.000 0.126 0.000 0.814 378 A HN 0.681 nan 8.150 nan 0.000 0.446 379 Q N -0.901 118.976 119.800 0.128 0.000 2.046 379 Q HA -0.055 4.285 4.340 -0.000 0.000 0.200 379 Q C 2.283 178.357 176.000 0.123 0.000 0.975 379 Q CA 1.105 56.988 55.803 0.134 0.000 0.836 379 Q CB -0.473 28.354 28.738 0.148 0.000 0.896 379 Q HN 0.669 nan 8.270 nan 0.000 0.428 380 G N 1.288 110.157 108.800 0.114 0.000 2.469 380 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.219 380 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.219 380 G C 1.382 176.319 174.900 0.062 0.000 1.150 380 G CA 0.530 45.683 45.100 0.088 0.000 0.763 380 G HN 0.231 nan 8.290 nan 0.000 0.561 381 L N -0.238 121.029 121.223 0.074 0.000 1.989 381 L HA -0.120 4.220 4.340 -0.000 0.000 0.211 381 L C 3.055 179.952 176.870 0.045 0.000 1.071 381 L CA 1.368 56.243 54.840 0.058 0.000 0.749 381 L CB -0.182 41.923 42.059 0.077 0.000 0.890 381 L HN 0.180 nan 8.230 nan 0.000 0.431 382 M N -0.690 118.951 119.600 0.070 0.000 2.099 382 M HA -0.149 4.330 4.480 -0.000 0.000 0.262 382 M C 2.537 178.873 176.300 0.061 0.000 1.067 382 M CA 1.868 57.213 55.300 0.074 0.000 1.124 382 M CB -1.698 30.964 32.600 0.103 0.000 1.353 382 M HN 0.336 nan 8.290 nan 0.000 0.410 383 A N 0.616 123.484 122.820 0.080 0.000 1.917 383 A HA -0.093 4.227 4.320 -0.000 0.000 0.219 383 A C 2.464 179.910 177.584 -0.229 0.000 1.182 383 A CA 2.308 54.371 52.037 0.044 0.000 0.633 383 A CB -1.574 17.502 19.000 0.127 0.000 0.819 383 A HN 0.525 nan 8.150 nan 0.000 0.448 384 G N 0.047 108.766 108.800 -0.135 0.000 2.480 384 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.216 384 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.216 384 G C 1.535 176.335 174.900 -0.167 0.000 1.200 384 G CA 1.180 46.182 45.100 -0.163 0.000 0.782 384 G HN 0.484 nan 8.290 nan 0.000 0.554 385 I N 1.260 121.779 120.570 -0.085 0.000 2.145 385 I HA -0.261 3.909 4.170 -0.000 0.000 0.244 385 I C 2.437 178.510 176.117 -0.073 0.000 1.075 385 I CA 1.351 62.618 61.300 -0.055 0.000 1.332 385 I CB -0.270 37.726 38.000 -0.007 0.000 1.033 385 I HN 0.108 nan 8.210 nan 0.000 0.410 386 N N 0.799 119.454 118.700 -0.076 0.000 2.331 386 N HA -0.058 4.681 4.740 -0.000 0.000 0.180 386 N C 1.806 177.230 175.510 -0.143 0.000 1.019 386 N CA 1.307 54.356 53.050 -0.001 0.000 0.881 386 N CB -0.269 38.349 38.487 0.220 0.000 0.972 386 N HN 0.386 nan 8.380 nan 0.000 0.435 387 A N 0.615 123.096 122.820 -0.565 0.000 1.930 387 A HA -0.043 4.277 4.320 -0.000 0.000 0.217 387 A C 2.395 179.866 177.584 -0.189 0.000 1.175 387 A CA 1.039 52.714 52.037 -0.604 0.000 0.627 387 A CB -0.534 18.008 19.000 -0.763 0.000 0.815 387 A HN 0.089 nan 8.150 nan 0.000 0.443 388 V N 0.277 120.106 119.914 -0.141 0.000 2.307 388 V HA -0.229 3.891 4.120 -0.000 0.000 0.245 388 V C 2.629 178.712 176.094 -0.019 0.000 1.045 388 V CA 1.902 64.165 62.300 -0.061 0.000 1.024 388 V CB -0.886 30.904 31.823 -0.056 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 -0.009 0.000 2.105 389 R HA -0.188 4.152 4.340 -0.000 0.000 0.239 389 R C 2.302 178.633 176.300 0.052 0.000 1.135 389 R CA 1.640 57.755 56.100 0.024 0.000 0.967 389 R CB -0.493 29.830 30.300 0.038 0.000 0.861 389 R HN 0.442 nan 8.270 nan 0.000 0.442 390 K N 0.983 121.433 120.400 0.084 0.000 2.025 390 K HA -0.018 4.302 4.320 -0.000 0.000 0.207 390 K C 2.064 178.716 176.600 0.087 0.000 1.049 390 K CA 1.049 57.407 56.287 0.118 0.000 0.933 390 K CB -0.228 32.405 32.500 0.222 0.000 0.714 390 K HN 0.055 nan 8.250 nan 0.000 0.438 391 I N 0.325 120.937 120.570 0.070 0.000 2.226 391 I HA -0.242 3.928 4.170 -0.000 0.000 0.245 391 I C 1.621 177.763 176.117 0.041 0.000 1.100 391 I CA 0.634 61.968 61.300 0.057 0.000 1.374 391 I CB -0.169 37.858 38.000 0.046 0.000 1.057 391 I HN 0.121 nan 8.210 nan 0.000 0.413 392 L N 0.478 121.720 121.223 0.031 0.000 2.201 392 L HA 0.014 4.354 4.340 -0.000 0.000 0.212 392 L C 1.780 178.668 176.870 0.030 0.000 1.105 392 L CA 1.573 56.428 54.840 0.025 0.000 0.775 392 L CB -1.280 40.787 42.059 0.014 0.000 0.913 392 L HN 0.468 nan 8.230 nan 0.000 0.440 393 G N -0.790 108.034 108.800 0.039 0.000 2.136 393 G HA2 -0.322 3.637 3.960 -0.000 0.000 0.242 393 G HA3 -0.322 3.637 3.960 -0.000 0.000 0.242 393 G C 0.635 175.557 174.900 0.036 0.000 0.989 393 G CA 0.560 45.684 45.100 0.040 0.000 0.682 393 G HN 0.350 nan 8.290 nan 0.000 0.522 394 K N 0.211 120.632 120.400 0.035 0.000 2.179 394 K HA 0.482 4.802 4.320 -0.000 0.000 0.238 394 K C 0.545 177.169 176.600 0.040 0.000 1.033 394 K CA -0.522 55.784 56.287 0.032 0.000 0.926 394 K CB 0.385 32.898 32.500 0.023 0.000 1.151 394 K HN 0.312 nan 8.250 nan 0.000 0.492 395 E N 1.344 121.566 120.200 0.038 0.000 2.344 395 E HA 0.077 4.427 4.350 -0.000 0.000 0.270 395 E C -0.545 176.086 176.600 0.051 0.000 1.021 395 E CA -0.031 56.395 56.400 0.043 0.000 0.887 395 E CB 0.412 30.135 29.700 0.039 0.000 0.997 395 E HN 0.269 nan 8.360 nan 0.000 0.429 396 L N 2.802 124.063 121.223 0.063 0.000 2.453 396 L HA 0.273 4.613 4.340 -0.000 0.000 0.261 396 L C -0.013 176.898 176.870 0.069 0.000 1.179 396 L CA -0.614 54.273 54.840 0.079 0.000 0.813 396 L CB 0.294 42.415 42.059 0.103 0.000 1.110 396 L HN 0.465 nan 8.230 nan 0.000 0.466 397 I N 1.740 122.354 120.570 0.073 0.000 2.339 397 I HA 0.283 4.453 4.170 -0.000 0.000 0.290 397 I C -0.319 175.840 176.117 0.071 0.000 0.994 397 I CA -0.087 61.252 61.300 0.065 0.000 1.191 397 I CB 1.706 39.741 38.000 0.058 0.000 1.343 397 I HN 0.108 nan 8.210 nan 0.000 0.458 398 V N 7.250 127.200 119.914 0.061 0.000 2.487 398 V HA 0.440 4.560 4.120 -0.000 0.000 0.298 398 V C 0.021 176.145 176.094 0.051 0.000 1.028 398 V CA -0.759 61.576 62.300 0.058 0.000 0.860 398 V CB 1.688 33.541 31.823 0.051 0.000 0.991 398 V HN 0.448 nan 8.190 nan 0.000 0.427 399 L N 3.803 125.058 121.223 0.053 0.000 2.350 399 L HA 0.632 4.972 4.340 -0.000 0.000 0.275 399 L C 1.074 177.960 176.870 0.028 0.000 1.099 399 L CA -0.007 54.861 54.840 0.046 0.000 0.808 399 L CB 1.012 43.106 42.059 0.059 0.000 1.149 399 L HN 0.779 nan 8.230 nan 0.000 0.442 400 G N 1.311 110.121 108.800 0.015 0.000 2.476 400 G HA2 0.295 4.255 3.960 -0.000 0.000 0.286 400 G HA3 0.295 4.255 3.960 -0.000 0.000 0.286 400 G C 0.566 175.436 174.900 -0.049 0.000 1.177 400 G CA -0.593 44.500 45.100 -0.012 0.000 0.870 400 G HN 0.735 nan 8.290 nan 0.000 0.528 401 R N -0.061 120.377 120.500 -0.105 0.000 2.316 401 R HA -0.016 4.324 4.340 -0.000 0.000 0.202 401 R C 0.930 177.040 176.300 -0.318 0.000 1.029 401 R CA 1.182 57.156 56.100 -0.211 0.000 1.018 401 R CB 0.226 30.364 30.300 -0.270 0.000 0.888 401 R HN 0.673 nan 8.270 nan 0.000 0.471 402 D N -0.528 119.762 120.400 -0.183 0.000 2.379 402 D HA -0.062 4.578 4.640 -0.000 0.000 0.208 402 D C 1.429 177.724 176.300 -0.007 0.000 1.065 402 D CA 0.229 54.183 54.000 -0.078 0.000 0.848 402 D CB 0.115 40.923 40.800 0.013 0.000 0.949 402 D HN 0.162 nan 8.370 nan 0.000 0.509 403 Q N 0.049 119.842 119.800 -0.012 0.000 2.226 403 Q HA 0.386 4.726 4.340 -0.000 0.000 0.199 403 Q C 0.319 176.350 176.000 0.051 0.000 0.945 403 Q CA 0.809 56.628 55.803 0.026 0.000 0.861 403 Q CB 0.683 29.439 28.738 0.030 0.000 0.953 403 Q HN 0.305 nan 8.270 nan 0.000 0.490 404 A N -1.431 121.415 122.820 0.043 0.000 2.604 404 A HA 0.352 4.672 4.320 -0.000 0.000 0.295 404 A C -0.965 176.677 177.584 0.096 0.000 1.067 404 A CA -0.657 51.448 52.037 0.113 0.000 0.683 404 A CB 0.024 19.102 19.000 0.130 0.000 1.281 404 A HN 0.218 nan 8.150 nan 0.000 0.407 405 Y N 0.885 121.224 120.300 0.066 0.000 2.256 405 Y HA -0.201 4.349 4.550 -0.000 0.000 0.288 405 Y C 2.036 177.983 175.900 0.079 0.000 1.155 405 Y CA 2.376 60.519 58.100 0.071 0.000 1.203 405 Y CB -0.271 38.237 38.460 0.079 0.000 0.980 405 Y HN 0.657 nan 8.280 nan 0.000 0.530 406 I N -0.912 119.798 120.570 0.233 0.000 2.286 406 I HA -0.259 3.910 4.170 -0.000 0.000 0.248 406 I C 2.626 178.817 176.117 0.123 0.000 1.115 406 I CA 1.355 62.757 61.300 0.170 0.000 1.392 406 I CB -0.804 37.285 38.000 0.148 0.000 1.065 406 I HN 0.257 nan 8.210 nan 0.000 0.418 407 G N 0.555 109.407 108.800 0.088 0.000 2.402 407 G HA2 -0.157 3.803 3.960 -0.000 0.000 0.216 407 G HA3 -0.157 3.803 3.960 -0.000 0.000 0.216 407 G C 1.714 176.629 174.900 0.025 0.000 1.162 407 G CA 0.760 45.887 45.100 0.046 0.000 0.777 407 G HN 0.223 nan 8.290 nan 0.000 0.539 408 V N 0.962 120.879 119.914 0.005 0.000 2.287 408 V HA -0.173 3.947 4.120 -0.000 0.000 0.248 408 V C 2.681 178.821 176.094 0.077 0.000 1.053 408 V CA 1.785 64.082 62.300 -0.005 0.000 1.027 408 V CB -0.603 31.183 31.823 -0.063 0.000 0.646 408 V HN 0.401 nan 8.190 nan 0.000 0.447 409 L N -0.461 120.853 121.223 0.152 0.000 1.970 409 L HA -0.217 4.123 4.340 -0.000 0.000 0.212 409 L C 2.344 179.301 176.870 0.146 0.000 1.071 409 L CA 2.027 57.011 54.840 0.239 0.000 0.751 409 L CB -0.251 41.957 42.059 0.248 0.000 0.889 409 L HN 0.212 nan 8.230 nan 0.000 0.432 410 I N -0.166 120.472 120.570 0.113 0.000 2.286 410 I HA -0.307 3.863 4.170 -0.000 0.000 0.248 410 I C 2.082 178.226 176.117 0.045 0.000 1.115 410 I CA 1.578 62.930 61.300 0.087 0.000 1.392 410 I CB -0.379 37.677 38.000 0.093 0.000 1.065 410 I HN 0.426 nan 8.210 nan 0.000 0.418 411 D N 1.002 121.417 120.400 0.026 0.000 2.084 411 D HA -0.207 4.433 4.640 -0.000 0.000 0.196 411 D C 1.717 177.994 176.300 -0.038 0.000 0.985 411 D CA 1.451 55.450 54.000 -0.002 0.000 0.826 411 D CB 0.009 40.802 40.800 -0.012 0.000 0.978 411 D HN 0.151 nan 8.370 nan 0.000 0.456 412 D N -0.184 120.172 120.400 -0.075 0.000 2.149 412 D HA -0.122 4.518 4.640 -0.000 0.000 0.198 412 D C 2.064 178.181 176.300 -0.306 0.000 0.990 412 D CA 0.283 54.160 54.000 -0.205 0.000 0.839 412 D CB -0.197 40.434 40.800 -0.281 0.000 0.948 412 D HN 0.230 nan 8.370 nan 0.000 0.460 413 L N 0.708 121.798 121.223 -0.222 0.000 1.961 413 L HA -0.153 4.187 4.340 -0.000 0.000 0.210 413 L C 2.337 179.192 176.870 -0.025 0.000 1.072 413 L CA 1.452 56.209 54.840 -0.139 0.000 0.749 413 L CB -0.426 41.641 42.059 0.013 0.000 0.889 413 L HN 0.114 nan 8.230 nan 0.000 0.432 414 I N -3.735 116.850 120.570 0.026 0.000 2.567 414 I HA -0.182 3.988 4.170 -0.000 0.000 0.257 414 I C 2.022 178.188 176.117 0.082 0.000 1.184 414 I CA 1.250 62.599 61.300 0.082 0.000 1.451 414 I CB -0.638 37.408 38.000 0.077 0.000 1.089 414 I HN 0.159 nan 8.210 nan 0.000 0.441 415 T N 0.283 114.847 114.554 0.016 0.000 2.896 415 T HA 0.003 4.353 4.350 -0.000 0.000 0.238 415 T C 0.810 175.513 174.700 0.005 0.000 1.045 415 T CA 0.274 62.377 62.100 0.005 0.000 1.248 415 T CB -0.092 68.760 68.868 -0.026 0.000 0.955 415 T HN 0.163 nan 8.240 nan 0.000 0.416 416 K N 2.872 123.237 120.400 -0.058 0.000 2.351 416 K HA 0.035 4.355 4.320 -0.000 0.000 0.287 416 K C -0.633 175.963 176.600 -0.007 0.000 1.068 416 K CA 0.097 56.351 56.287 -0.055 0.000 0.998 416 K CB 0.245 32.672 32.500 -0.122 0.000 0.968 416 K HN 0.097 nan 8.250 nan 0.000 0.464 417 E N 3.478 123.719 120.200 0.068 0.000 2.081 417 E HA 0.174 4.524 4.350 -0.000 0.000 0.276 417 E C -1.341 175.333 176.600 0.123 0.000 0.950 417 E CA -0.294 56.198 56.400 0.154 0.000 0.776 417 E CB 1.496 31.358 29.700 0.270 0.000 1.094 417 E HN 0.426 nan 8.360 nan 0.000 0.402 418 T N 3.267 117.890 114.554 0.115 0.000 2.923 418 T HA 0.265 4.615 4.350 -0.000 0.000 0.311 418 T C 0.455 175.199 174.700 0.074 0.000 1.183 418 T CA -0.657 61.494 62.100 0.085 0.000 1.020 418 T CB 1.034 69.936 68.868 0.057 0.000 1.165 418 T HN 0.531 nan 8.240 nan 0.000 0.482 419 K N 0.918 121.353 120.400 0.059 0.000 2.520 419 K HA -0.024 4.296 4.320 -0.000 0.000 0.197 419 K C 0.507 177.085 176.600 -0.038 0.000 1.043 419 K CA 0.904 57.211 56.287 0.033 0.000 0.944 419 K CB 0.161 32.673 32.500 0.021 0.000 0.770 419 K HN 0.522 nan 8.250 nan 0.000 0.480 420 E N 0.569 120.747 120.200 -0.036 0.000 2.227 420 E HA 0.223 4.573 4.350 -0.000 0.000 0.268 420 E C -2.599 173.964 176.600 -0.061 0.000 0.907 420 E CA -2.762 53.606 56.400 -0.053 0.000 0.786 420 E CB 1.547 31.242 29.700 -0.008 0.000 1.191 420 E HN -0.148 nan 8.360 nan 0.000 0.411 421 P HA -0.071 nan 4.420 nan 0.000 0.268 421 P C -1.199 176.140 177.300 0.064 0.000 1.204 421 P CA 0.259 63.333 63.100 -0.044 0.000 0.768 421 P CB 0.133 31.818 31.700 -0.025 0.000 0.842 422 Y N 4.272 124.552 120.300 -0.034 0.000 2.480 422 Y HA 0.140 4.690 4.550 -0.000 0.000 0.341 422 Y C 0.687 176.600 175.900 0.022 0.000 1.031 422 Y CA -0.119 57.980 58.100 -0.001 0.000 1.295 422 Y CB 0.519 38.986 38.460 0.011 0.000 1.162 422 Y HN 0.270 nan 8.280 nan 0.000 0.523 423 R N 5.861 126.117 120.500 -0.407 0.000 2.604 423 R HA 0.263 4.603 4.340 -0.000 0.000 0.287 423 R C 0.580 176.524 176.300 -0.594 0.000 0.970 423 R CA -0.927 54.976 56.100 -0.330 0.000 0.946 423 R CB 1.349 31.672 30.300 0.039 0.000 1.127 423 R HN 0.759 nan 8.270 nan 0.000 0.473 424 M N 2.001 121.406 119.600 -0.325 0.000 2.492 424 M HA -0.029 4.451 4.480 -0.000 0.000 0.262 424 M C 1.725 177.982 176.300 -0.072 0.000 1.090 424 M CA 1.143 56.314 55.300 -0.216 0.000 1.110 424 M CB -0.452 32.124 32.600 -0.040 0.000 1.407 424 M HN 0.633 nan 8.290 nan 0.000 0.470 425 F N 0.402 120.272 119.950 -0.133 0.000 2.046 425 F HA -0.185 4.342 4.527 -0.000 0.000 0.297 425 F C 2.370 178.144 175.800 -0.043 0.000 1.123 425 F CA 2.021 59.977 58.000 -0.074 0.000 1.199 425 F CB -1.418 37.536 39.000 -0.078 0.000 0.972 425 F HN 0.048 nan 8.300 nan 0.000 0.474 426 T N -0.109 113.688 114.554 -1.262 0.000 2.929 426 T HA -0.139 4.211 4.350 -0.000 0.000 0.271 426 T C 1.185 175.684 174.700 -0.334 0.000 1.085 426 T CA 0.907 62.483 62.100 -0.874 0.000 1.125 426 T CB -0.869 67.475 68.868 -0.873 0.000 0.874 426 T HN 0.376 nan 8.240 nan 0.000 0.494 427 S N 1.448 117.003 115.700 -0.240 0.000 2.611 427 S HA 0.091 4.561 4.470 -0.000 0.000 0.317 427 S C 0.408 175.006 174.600 -0.003 0.000 1.208 427 S CA -0.293 57.878 58.200 -0.049 0.000 1.217 427 S CB -0.289 62.912 63.200 0.002 0.000 1.085 427 S HN 0.323 nan 8.310 nan 0.000 0.529 428 S N 5.029 120.729 115.700 -0.000 0.000 2.945 428 S HA 0.355 4.825 4.470 -0.000 0.000 0.227 428 S C 0.599 175.220 174.600 0.035 0.000 1.353 428 S CA -0.270 57.942 58.200 0.021 0.000 1.236 428 S CB -0.324 62.879 63.200 0.004 0.000 1.069 428 S HN 0.959 nan 8.310 nan 0.000 0.509 429 A N 2.213 125.054 122.820 0.035 0.000 2.504 429 A HA -0.044 4.276 4.320 -0.000 0.000 0.280 429 A C 1.421 179.027 177.584 0.037 0.000 1.125 429 A CA 0.115 52.154 52.037 0.003 0.000 0.873 429 A CB -0.370 18.541 19.000 -0.149 0.000 0.997 429 A HN 0.835 nan 8.150 nan 0.000 0.542 430 E N 2.021 122.268 120.200 0.077 0.000 2.273 430 E HA -0.212 4.138 4.350 -0.000 0.000 0.198 430 E C 0.097 176.695 176.600 -0.003 0.000 1.002 430 E CA 1.463 57.888 56.400 0.042 0.000 0.828 430 E CB -0.354 29.361 29.700 0.025 0.000 0.747 430 E HN 0.840 nan 8.360 nan 0.000 0.491 431 H N 1.003 120.039 119.070 -0.057 0.000 3.109 431 H HA 0.243 4.799 4.556 -0.000 0.000 0.266 431 H C 0.528 175.812 175.328 -0.072 0.000 1.334 431 H CA -0.176 55.835 56.048 -0.061 0.000 1.456 431 H CB 0.604 30.314 29.762 -0.085 0.000 1.587 431 H HN 0.192 nan 8.280 nan 0.000 0.500 432 R N 1.510 122.037 120.500 0.044 0.000 2.125 432 R HA 0.077 4.417 4.340 -0.000 0.000 0.195 432 R C 2.110 178.446 176.300 0.059 0.000 1.138 432 R CA -0.059 56.079 56.100 0.063 0.000 1.123 432 R CB 0.174 30.499 30.300 0.041 0.000 1.049 432 R HN 0.323 nan 8.270 nan 0.000 0.503 433 L N 1.675 122.906 121.223 0.014 0.000 2.083 433 L HA -0.110 4.229 4.340 -0.000 0.000 0.209 433 L C 2.328 179.206 176.870 0.013 0.000 1.083 433 L CA 1.331 56.158 54.840 -0.022 0.000 0.752 433 L CB -0.325 41.714 42.059 -0.033 0.000 0.899 433 L HN 0.279 nan 8.230 nan 0.000 0.433 434 I N -3.347 117.249 120.570 0.045 0.000 3.001 434 I HA -0.153 4.017 4.170 -0.000 0.000 0.268 434 I C 1.511 177.677 176.117 0.081 0.000 1.267 434 I CA 1.144 62.480 61.300 0.060 0.000 1.472 434 I CB -0.178 37.867 38.000 0.075 0.000 1.089 434 I HN 0.127 nan 8.210 nan 0.000 0.468 435 L N 1.986 123.276 121.223 0.112 0.000 2.959 435 L HA 0.311 4.651 4.340 -0.000 0.000 0.259 435 L C 0.795 177.837 176.870 0.286 0.000 1.185 435 L CA -0.477 54.479 54.840 0.193 0.000 0.998 435 L CB -0.158 41.985 42.059 0.140 0.000 1.337 435 L HN 0.300 nan 8.230 nan 0.000 0.555 436 R N 0.034 120.625 120.500 0.151 0.000 2.758 436 R HA -0.092 4.248 4.340 -0.000 0.000 0.263 436 R C 1.433 177.766 176.300 0.056 0.000 1.010 436 R CA 0.342 56.491 56.100 0.082 0.000 1.114 436 R CB 0.052 30.326 30.300 -0.044 0.000 0.985 436 R HN 0.320 nan 8.270 nan 0.000 0.439 437 H N 1.770 120.863 119.070 0.039 0.000 2.390 437 H HA -0.165 4.391 4.556 -0.000 0.000 0.298 437 H C 0.440 175.824 175.328 0.094 0.000 1.106 437 H CA 1.982 58.038 56.048 0.014 0.000 1.297 437 H CB -0.111 29.596 29.762 -0.091 0.000 1.375 437 H HN 0.879 nan 8.280 nan 0.000 0.509 438 D N 0.521 120.587 120.400 -0.558 0.000 2.363 438 D HA -0.096 4.544 4.640 -0.000 0.000 0.226 438 D C 0.818 177.143 176.300 0.041 0.000 1.020 438 D CA 0.645 54.482 54.000 -0.272 0.000 0.892 438 D CB -0.264 40.238 40.800 -0.497 0.000 0.900 438 D HN 0.616 nan 8.370 nan 0.000 0.531 439 N N -0.580 118.149 118.700 0.048 0.000 2.160 439 N HA 0.243 4.983 4.740 -0.000 0.000 0.226 439 N C 1.289 176.806 175.510 0.010 0.000 1.256 439 N CA 0.134 53.196 53.050 0.020 0.000 0.890 439 N CB -0.060 38.424 38.487 -0.004 0.000 1.116 439 N HN 0.117 nan 8.380 nan 0.000 0.517 440 A N 1.515 124.413 122.820 0.130 0.000 1.948 440 A HA -0.263 4.057 4.320 -0.000 0.000 0.220 440 A C 1.831 179.377 177.584 -0.063 0.000 1.177 440 A CA 2.002 54.117 52.037 0.131 0.000 0.636 440 A CB -0.628 18.571 19.000 0.331 0.000 0.815 440 A HN 0.579 nan 8.150 nan 0.000 0.449 441 D N 0.751 120.882 120.400 -0.450 0.000 2.097 441 D HA -0.173 4.466 4.640 -0.000 0.000 0.197 441 D C 1.855 177.989 176.300 -0.277 0.000 0.984 441 D CA 1.533 55.178 54.000 -0.591 0.000 0.826 441 D CB -0.956 39.086 40.800 -1.264 0.000 0.973 441 D HN 0.500 nan 8.370 nan 0.000 0.460 442 L N -0.118 120.974 121.223 -0.218 0.000 2.042 442 L HA -0.096 4.244 4.340 -0.000 0.000 0.210 442 L C 2.996 179.832 176.870 -0.057 0.000 1.076 442 L CA 1.300 56.074 54.840 -0.110 0.000 0.749 442 L CB -0.609 41.406 42.059 -0.073 0.000 0.893 442 L HN -0.075 nan 8.230 nan 0.000 0.432 443 R N 0.233 120.711 120.500 -0.036 0.000 2.075 443 R HA -0.052 4.287 4.340 -0.000 0.000 0.232 443 R C 2.041 178.347 176.300 0.011 0.000 1.126 443 R CA 1.267 57.369 56.100 0.004 0.000 0.963 443 R CB -0.160 30.160 30.300 0.034 0.000 0.858 443 R HN 0.353 nan 8.270 nan 0.000 0.435 444 L N -1.359 119.865 121.223 0.003 0.000 2.672 444 L HA 0.215 4.555 4.340 -0.000 0.000 0.236 444 L C 2.059 178.940 176.870 0.019 0.000 1.092 444 L CA -0.172 54.684 54.840 0.027 0.000 0.887 444 L CB 0.092 42.184 42.059 0.056 0.000 1.168 444 L HN -0.112 nan 8.230 nan 0.000 0.502 445 R N 1.286 121.775 120.500 -0.018 0.000 2.103 445 R HA -0.207 4.133 4.340 -0.000 0.000 0.242 445 R C 2.188 178.504 176.300 0.027 0.000 1.142 445 R CA 1.739 57.831 56.100 -0.014 0.000 0.960 445 R CB -0.209 30.052 30.300 -0.065 0.000 0.858 445 R HN 0.157 nan 8.270 nan 0.000 0.439 446 K N -0.198 120.215 120.400 0.021 0.000 2.097 446 K HA -0.070 4.250 4.320 -0.000 0.000 0.205 446 K C 1.891 178.549 176.600 0.097 0.000 1.050 446 K CA 1.582 57.899 56.287 0.050 0.000 0.938 446 K CB -0.091 32.424 32.500 0.024 0.000 0.718 446 K HN 0.181 nan 8.250 nan 0.000 0.442 447 I N 0.172 120.783 120.570 0.069 0.000 2.286 447 I HA -0.190 3.980 4.170 -0.000 0.000 0.248 447 I C 2.412 178.570 176.117 0.068 0.000 1.115 447 I CA 1.298 62.638 61.300 0.068 0.000 1.392 447 I CB -0.708 37.326 38.000 0.056 0.000 1.065 447 I HN 0.295 nan 8.210 nan 0.000 0.418 448 G N 0.382 109.224 108.800 0.071 0.000 2.446 448 G HA2 -0.340 3.619 3.960 -0.000 0.000 0.217 448 G HA3 -0.340 3.619 3.960 -0.000 0.000 0.217 448 G C 1.637 176.576 174.900 0.065 0.000 1.168 448 G CA 0.888 46.026 45.100 0.063 0.000 0.771 448 G HN 0.366 nan 8.290 nan 0.000 0.551 449 Y N 1.928 122.216 120.300 -0.020 0.000 2.081 449 Y HA -0.211 4.339 4.550 -0.000 0.000 0.280 449 Y C 2.434 178.323 175.900 -0.019 0.000 1.163 449 Y CA 2.328 60.408 58.100 -0.033 0.000 1.135 449 Y CB -0.540 37.884 38.460 -0.060 0.000 0.970 449 Y HN 0.320 nan 8.280 nan 0.000 0.498 450 D N -1.230 119.171 120.400 0.002 0.000 2.271 450 D HA -0.198 4.442 4.640 -0.000 0.000 0.207 450 D C 1.237 177.464 176.300 -0.122 0.000 0.983 450 D CA 1.577 55.535 54.000 -0.070 0.000 0.878 450 D CB -0.234 40.589 40.800 0.039 0.000 0.920 450 D HN 0.363 nan 8.370 nan 0.000 0.479 451 C N -0.038 119.201 119.300 -0.102 0.000 2.668 451 C HA 0.308 4.768 4.460 -0.000 0.000 0.301 451 C C 0.614 175.540 174.990 -0.108 0.000 1.351 451 C CA -0.884 58.087 59.018 -0.079 0.000 1.757 451 C CB -1.658 26.065 27.740 -0.030 0.000 2.179 451 C HN 0.298 nan 8.230 nan 0.000 0.586 452 N N 0.571 119.154 118.700 -0.196 0.000 2.721 452 N HA -0.156 4.584 4.740 -0.000 0.000 0.249 452 N C 0.314 175.766 175.510 -0.097 0.000 1.072 452 N CA 0.678 53.616 53.050 -0.186 0.000 0.710 452 N CB -1.034 37.368 38.487 -0.141 0.000 0.993 452 N HN 0.619 nan 8.380 nan 0.000 0.547 453 L N -2.609 118.576 121.223 -0.063 0.000 2.749 453 L HA 0.295 4.634 4.340 -0.000 0.000 0.242 453 L C 0.062 176.944 176.870 0.020 0.000 1.103 453 L CA 0.090 54.923 54.840 -0.011 0.000 0.906 453 L CB 0.535 42.598 42.059 0.006 0.000 1.228 453 L HN -0.071 nan 8.230 nan 0.000 0.517 454 V N 0.641 120.577 119.914 0.036 0.000 2.495 454 V HA 0.306 4.425 4.120 -0.000 0.000 0.298 454 V C 0.378 176.541 176.094 0.116 0.000 1.031 454 V CA -0.777 61.569 62.300 0.078 0.000 0.871 454 V CB 1.772 33.651 31.823 0.093 0.000 0.988 454 V HN 0.296 nan 8.190 nan 0.000 0.432 455 S N 3.316 119.066 115.700 0.084 0.000 2.593 455 S HA 0.168 4.638 4.470 -0.000 0.000 0.269 455 S C 1.238 175.879 174.600 0.068 0.000 1.334 455 S CA 0.077 58.328 58.200 0.085 0.000 1.015 455 S CB 1.219 64.452 63.200 0.054 0.000 0.912 455 S HN 0.663 nan 8.310 nan 0.000 0.541 456 S N 0.741 116.471 115.700 0.051 0.000 2.368 456 S HA -0.140 4.330 4.470 -0.000 0.000 0.225 456 S C 1.549 176.093 174.600 -0.094 0.000 1.030 456 S CA 1.189 59.297 58.200 -0.153 0.000 0.999 456 S CB -0.651 62.523 63.200 -0.043 0.000 0.844 456 S HN 0.893 nan 8.310 nan 0.000 0.459 457 D N 1.077 121.497 120.400 0.034 0.000 2.221 457 D HA -0.141 4.499 4.640 -0.000 0.000 0.204 457 D C 1.189 177.509 176.300 0.034 0.000 0.982 457 D CA 0.933 54.969 54.000 0.059 0.000 0.857 457 D CB -0.066 40.766 40.800 0.053 0.000 0.934 457 D HN 0.254 nan 8.370 nan 0.000 0.475 458 D N 0.121 120.528 120.400 0.012 0.000 2.107 458 D HA -0.104 4.536 4.640 -0.000 0.000 0.204 458 D C 2.214 178.495 176.300 -0.032 0.000 0.978 458 D CA 0.306 54.310 54.000 0.007 0.000 0.852 458 D CB -0.481 40.335 40.800 0.026 0.000 1.008 458 D HN 0.211 nan 8.370 nan 0.000 0.458 459 L N 0.966 122.136 121.223 -0.089 0.000 1.990 459 L HA -0.224 4.116 4.340 -0.000 0.000 0.213 459 L C 2.041 178.832 176.870 -0.131 0.000 1.072 459 L CA 2.045 56.789 54.840 -0.160 0.000 0.755 459 L CB -0.928 40.934 42.059 -0.328 0.000 0.889 459 L HN 0.159 nan 8.230 nan 0.000 0.432 460 H N -1.563 117.450 119.070 -0.095 0.000 2.457 460 H HA -0.119 4.437 4.556 -0.000 0.000 0.294 460 H C 2.169 177.461 175.328 -0.060 0.000 1.064 460 H CA 0.927 56.922 56.048 -0.087 0.000 1.330 460 H CB 0.077 29.790 29.762 -0.081 0.000 1.395 460 H HN 0.308 nan 8.280 nan 0.000 0.541 461 R N 0.451 120.989 120.500 0.062 0.000 2.115 461 R HA -0.064 4.276 4.340 -0.000 0.000 0.226 461 R C 2.231 178.529 176.300 -0.004 0.000 1.100 461 R CA 1.676 57.791 56.100 0.025 0.000 0.980 461 R CB -0.633 29.680 30.300 0.022 0.000 0.875 461 R HN 0.079 nan 8.270 nan 0.000 0.445 462 T N -0.205 114.334 114.554 -0.025 0.000 2.985 462 T HA 0.039 4.388 4.350 -0.000 0.000 0.266 462 T C 1.192 175.871 174.700 -0.036 0.000 1.076 462 T CA 1.020 63.088 62.100 -0.053 0.000 1.135 462 T CB -0.091 68.719 68.868 -0.096 0.000 0.890 462 T HN 0.422 nan 8.240 nan 0.000 0.480 463 E N 0.795 120.986 120.200 -0.015 0.000 2.268 463 E HA -0.069 4.281 4.350 -0.000 0.000 0.195 463 E C 2.270 178.865 176.600 -0.008 0.000 0.995 463 E CA 1.274 57.672 56.400 -0.004 0.000 0.836 463 E CB 0.027 29.740 29.700 0.022 0.000 0.763 463 E HN 0.610 nan 8.360 nan 0.000 0.491 464 S N 0.214 115.907 115.700 -0.012 0.000 2.486 464 S HA 0.019 4.489 4.470 -0.000 0.000 0.220 464 S C 1.933 176.515 174.600 -0.030 0.000 1.011 464 S CA -0.147 58.036 58.200 -0.029 0.000 0.921 464 S CB 0.005 63.186 63.200 -0.032 0.000 0.785 464 S HN 0.228 nan 8.310 nan 0.000 0.517 465 I N 2.080 122.638 120.570 -0.021 0.000 2.439 465 I HA -0.018 4.152 4.170 -0.000 0.000 0.251 465 I C 2.161 178.273 176.117 -0.009 0.000 1.139 465 I CA 1.038 62.328 61.300 -0.017 0.000 1.438 465 I CB -0.109 37.881 38.000 -0.018 0.000 1.085 465 I HN 0.483 nan 8.210 nan 0.000 0.427 466 I N -1.553 119.012 120.570 -0.008 0.000 2.353 466 I HA -0.191 3.979 4.170 -0.000 0.000 0.248 466 I C 2.269 178.402 176.117 0.027 0.000 1.119 466 I CA 1.217 62.521 61.300 0.006 0.000 1.417 466 I CB -0.696 37.305 38.000 0.003 0.000 1.078 466 I HN -0.031 nan 8.210 nan 0.000 0.421 467 K N 1.257 121.667 120.400 0.017 0.000 2.063 467 K HA -0.131 4.189 4.320 -0.000 0.000 0.208 467 K C 2.343 178.972 176.600 0.049 0.000 1.048 467 K CA 1.784 58.091 56.287 0.035 0.000 0.928 467 K CB -0.162 32.310 32.500 -0.046 0.000 0.713 467 K HN 0.361 nan 8.250 nan 0.000 0.442 468 R N 0.260 120.757 120.500 -0.004 0.000 2.090 468 R HA -0.058 4.282 4.340 -0.000 0.000 0.228 468 R C 2.292 178.634 176.300 0.071 0.000 1.110 468 R CA 0.810 56.919 56.100 0.014 0.000 0.973 468 R CB -0.371 29.921 30.300 -0.012 0.000 0.869 468 R HN -0.032 nan 8.270 nan 0.000 0.440 469 V N 2.113 122.059 119.914 0.054 0.000 2.255 469 V HA -0.329 3.791 4.120 -0.000 0.000 0.247 469 V C 2.498 178.631 176.094 0.065 0.000 1.051 469 V CA 2.289 64.619 62.300 0.051 0.000 1.018 469 V CB -0.724 31.120 31.823 0.036 0.000 0.641 469 V HN 0.477 nan 8.190 nan 0.000 0.445 470 Q N -0.585 119.261 119.800 0.076 0.000 2.119 470 Q HA -0.262 4.078 4.340 -0.000 0.000 0.201 470 Q C 2.049 178.085 176.000 0.059 0.000 0.972 470 Q CA 2.301 58.141 55.803 0.061 0.000 0.847 470 Q CB -0.645 28.127 28.738 0.057 0.000 0.903 470 Q HN 0.686 nan 8.270 nan 0.000 0.433 471 H N -0.246 118.826 119.070 0.004 0.000 2.422 471 H HA -0.099 4.457 4.556 -0.000 0.000 0.298 471 H C 2.028 177.359 175.328 0.004 0.000 1.098 471 H CA 1.551 57.600 56.048 0.003 0.000 1.315 471 H CB -0.263 29.500 29.762 0.001 0.000 1.382 471 H HN 0.497 nan 8.280 nan 0.000 0.523 472 C N -0.263 119.108 119.300 0.119 0.000 2.486 472 C HA -0.001 4.459 4.460 -0.000 0.000 0.279 472 C C 2.534 177.546 174.990 0.037 0.000 1.302 472 C CA 0.343 59.401 59.018 0.067 0.000 1.720 472 C CB -1.172 26.602 27.740 0.056 0.000 2.030 472 C HN 0.519 nan 8.230 nan 0.000 0.490 473 L N 0.885 122.127 121.223 0.031 0.000 2.353 473 L HA -0.082 4.258 4.340 -0.000 0.000 0.220 473 L C 2.645 179.514 176.870 -0.002 0.000 1.133 473 L CA 1.050 55.900 54.840 0.016 0.000 0.798 473 L CB -0.673 41.397 42.059 0.018 0.000 0.922 473 L HN 0.401 nan 8.230 nan 0.000 0.445 474 E N 0.124 120.313 120.200 -0.019 0.000 2.051 474 E HA -0.159 4.190 4.350 -0.000 0.000 0.192 474 E C 2.352 178.940 176.600 -0.019 0.000 0.991 474 E CA 1.276 57.652 56.400 -0.040 0.000 0.799 474 E CB -0.267 29.379 29.700 -0.089 0.000 0.748 474 E HN 0.345 nan 8.360 nan 0.000 0.449 475 V N 1.339 121.250 119.914 -0.005 0.000 2.719 475 V HA -0.153 3.967 4.120 -0.000 0.000 0.252 475 V C 2.140 178.238 176.094 0.007 0.000 1.065 475 V CA 0.913 63.216 62.300 0.004 0.000 1.086 475 V CB -0.349 31.484 31.823 0.016 0.000 0.700 475 V HN 0.215 nan 8.190 nan 0.000 0.467 476 M N -0.202 119.404 119.600 0.010 0.000 2.549 476 M HA -0.061 4.418 4.480 -0.000 0.000 0.260 476 M C 1.800 178.104 176.300 0.007 0.000 1.076 476 M CA 1.322 56.629 55.300 0.011 0.000 1.090 476 M CB -1.014 31.595 32.600 0.016 0.000 1.418 476 M HN 0.374 nan 8.290 nan 0.000 0.486 477 K N -1.145 119.256 120.400 0.002 0.000 2.276 477 K HA 0.085 4.405 4.320 -0.000 0.000 0.198 477 K C 1.868 178.467 176.600 -0.002 0.000 1.052 477 K CA 0.994 57.281 56.287 -0.001 0.000 0.984 477 K CB 0.116 32.612 32.500 -0.005 0.000 0.836 477 K HN 0.235 nan 8.250 nan 0.000 0.490 478 T N 1.636 116.189 114.554 -0.002 0.000 2.812 478 T HA 0.015 4.365 4.350 -0.000 0.000 0.264 478 T C 1.096 175.797 174.700 0.002 0.000 1.042 478 T CA 0.657 62.757 62.100 -0.001 0.000 1.140 478 T CB -0.137 68.730 68.868 -0.003 0.000 0.870 478 T HN 0.213 nan 8.240 nan 0.000 0.445 479 A N 2.582 125.404 122.820 0.005 0.000 2.483 479 A HA 0.418 4.738 4.320 -0.000 0.000 0.238 479 A C 0.357 177.945 177.584 0.007 0.000 1.070 479 A CA -0.381 51.660 52.037 0.007 0.000 0.770 479 A CB 0.057 19.064 19.000 0.011 0.000 1.008 479 A HN 0.601 nan 8.150 nan 0.000 0.497 480 K N 0.070 120.474 120.400 0.008 0.000 2.259 480 K HA 0.716 5.036 4.320 -0.000 0.000 0.249 480 K C -1.204 175.402 176.600 0.010 0.000 0.942 480 K CA -0.787 55.504 56.287 0.007 0.000 0.816 480 K CB 1.988 34.491 32.500 0.005 0.000 1.155 480 K HN 0.597 nan 8.250 nan 0.000 0.428 481 V N -1.470 118.449 119.914 0.008 0.000 2.488 481 V HA 0.335 4.455 4.120 -0.000 0.000 0.293 481 V C -0.022 176.075 176.094 0.004 0.000 1.027 481 V CA -0.839 61.467 62.300 0.010 0.000 0.862 481 V CB 0.708 32.539 31.823 0.013 0.000 1.008 481 V HN 0.974 nan 8.190 nan 0.000 0.428 482 T N 2.022 116.579 114.554 0.005 0.000 2.898 482 T HA 0.357 4.707 4.350 -0.000 0.000 0.301 482 T C -1.068 173.629 174.700 -0.006 0.000 1.049 482 T CA -1.058 61.042 62.100 0.001 0.000 1.095 482 T CB 1.214 70.084 68.868 0.003 0.000 0.976 482 T HN 0.612 nan 8.240 nan 0.000 0.539 483 P HA 0.070 nan 4.420 nan 0.000 0.239 483 P C 1.198 178.486 177.300 -0.020 0.000 1.184 483 P CA 0.438 63.528 63.100 -0.017 0.000 0.760 483 P CB -0.313 31.378 31.700 -0.014 0.000 0.884 484 A N 0.606 123.418 122.820 -0.012 0.000 1.929 484 A HA -0.133 4.187 4.320 -0.000 0.000 0.216 484 A C 2.048 179.623 177.584 -0.016 0.000 1.176 484 A CA 1.385 53.416 52.037 -0.010 0.000 0.628 484 A CB -0.642 18.358 19.000 -0.000 0.000 0.816 484 A HN 0.130 nan 8.150 nan 0.000 0.444 485 E N -0.339 119.851 120.200 -0.017 0.000 2.166 485 E HA 0.107 4.457 4.350 -0.000 0.000 0.192 485 E C 1.617 178.135 176.600 -0.136 0.000 0.967 485 E CA 0.939 57.325 56.400 -0.023 0.000 0.840 485 E CB -0.063 29.657 29.700 0.035 0.000 0.795 485 E HN 0.723 nan 8.360 nan 0.000 0.470 486 I N 0.213 120.711 120.570 -0.119 0.000 3.462 486 I HA 0.043 4.213 4.170 -0.000 0.000 0.290 486 I C 1.485 177.516 176.117 -0.142 0.000 1.236 486 I CA 0.017 61.213 61.300 -0.174 0.000 1.418 486 I CB -0.082 37.863 38.000 -0.092 0.000 1.102 486 I HN -0.043 nan 8.210 nan 0.000 0.441 487 N N 1.615 120.259 118.700 -0.093 0.000 2.104 487 N HA -0.162 4.578 4.740 -0.000 0.000 0.190 487 N C 2.051 177.519 175.510 -0.071 0.000 1.024 487 N CA 2.360 55.370 53.050 -0.066 0.000 0.853 487 N CB -0.419 38.042 38.487 -0.043 0.000 1.008 487 N HN 0.494 nan 8.380 nan 0.000 0.424 488 T N -0.966 113.537 114.554 -0.085 0.000 2.904 488 T HA -0.059 4.291 4.350 -0.000 0.000 0.267 488 T C 2.046 176.693 174.700 -0.089 0.000 1.059 488 T CA 0.537 62.594 62.100 -0.070 0.000 1.137 488 T CB -0.472 68.365 68.868 -0.052 0.000 0.879 488 T HN 0.077 nan 8.240 nan 0.000 0.467 489 L N 0.832 121.953 121.223 -0.170 0.000 2.017 489 L HA 0.177 4.517 4.340 -0.000 0.000 0.208 489 L C 2.328 179.151 176.870 -0.079 0.000 1.073 489 L CA 1.549 56.293 54.840 -0.160 0.000 0.745 489 L CB -0.625 41.239 42.059 -0.325 0.000 0.894 489 L HN 0.234 nan 8.230 nan 0.000 0.432 490 L N -1.469 119.707 121.223 -0.079 0.000 2.201 490 L HA -0.182 4.158 4.340 -0.000 0.000 0.212 490 L C 2.576 179.428 176.870 -0.030 0.000 1.105 490 L CA 1.003 55.817 54.840 -0.045 0.000 0.775 490 L CB -0.478 41.555 42.059 -0.043 0.000 0.913 490 L HN 0.353 nan 8.230 nan 0.000 0.440 491 M N -0.214 119.367 119.600 -0.033 0.000 2.108 491 M HA -0.205 4.275 4.480 -0.000 0.000 0.261 491 M C 1.915 178.207 176.300 -0.013 0.000 1.066 491 M CA 1.680 56.967 55.300 -0.021 0.000 1.107 491 M CB -0.369 32.218 32.600 -0.021 0.000 1.356 491 M HN 0.380 nan 8.290 nan 0.000 0.406 492 N N 0.137 118.829 118.700 -0.013 0.000 2.207 492 N HA -0.085 4.655 4.740 -0.000 0.000 0.182 492 N C 1.426 176.936 175.510 0.000 0.000 1.020 492 N CA 1.032 54.080 53.050 -0.003 0.000 0.858 492 N CB -0.301 38.187 38.487 0.002 0.000 0.991 492 N HN 0.375 nan 8.380 nan 0.000 0.427 493 K N 0.353 120.752 120.400 -0.002 0.000 2.365 493 K HA 0.027 4.347 4.320 -0.000 0.000 0.199 493 K C 0.565 177.166 176.600 0.000 0.000 1.045 493 K CA 0.512 56.800 56.287 0.002 0.000 0.962 493 K CB -0.022 32.479 32.500 0.002 0.000 0.759 493 K HN 0.251 nan 8.250 nan 0.000 0.469 494 G N 1.877 110.675 108.800 -0.004 0.000 2.295 494 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.287 494 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.287 494 G C 0.085 174.982 174.900 -0.004 0.000 1.055 494 G CA 0.201 45.299 45.100 -0.004 0.000 0.922 494 G HN 0.150 nan 8.290 nan 0.000 0.503 495 L N -0.556 120.663 121.223 -0.007 0.000 2.568 495 L HA 0.593 4.933 4.340 -0.000 0.000 0.187 495 L C 1.281 178.146 176.870 -0.008 0.000 1.489 495 L CA 0.636 55.472 54.840 -0.006 0.000 3.061 495 L CB -0.203 41.852 42.059 -0.007 0.000 2.895 495 L HN 0.463 nan 8.230 nan 0.000 0.999 496 Q N 0.365 120.158 119.800 -0.011 0.000 2.278 496 Q HA 0.381 4.721 4.340 -0.000 0.000 0.257 496 Q C -1.013 174.979 176.000 -0.015 0.000 0.928 496 Q CA -0.187 55.609 55.803 -0.011 0.000 0.932 496 Q CB 1.268 29.999 28.738 -0.011 0.000 1.221 496 Q HN 0.235 nan 8.270 nan 0.000 0.434 497 E N 2.579 122.771 120.200 -0.014 0.000 2.313 497 E HA 0.158 4.508 4.350 -0.000 0.000 0.276 497 E C -0.945 175.645 176.600 -0.016 0.000 1.031 497 E CA -0.387 56.004 56.400 -0.016 0.000 0.857 497 E CB 0.745 30.436 29.700 -0.014 0.000 1.040 497 E HN 0.571 nan 8.360 nan 0.000 0.408 498 L N 6.208 127.420 121.223 -0.019 0.000 2.397 498 L HA 0.151 4.491 4.340 -0.000 0.000 0.263 498 L C 1.064 177.925 176.870 -0.015 0.000 1.136 498 L CA -0.167 54.663 54.840 -0.017 0.000 1.019 498 L CB 0.124 42.170 42.059 -0.021 0.000 1.352 498 L HN 0.612 nan 8.230 nan 0.000 0.420 499 K N 0.584 120.977 120.400 -0.012 0.000 2.360 499 K HA -0.075 4.245 4.320 -0.000 0.000 0.201 499 K C 0.772 177.367 176.600 -0.009 0.000 1.046 499 K CA 1.254 57.535 56.287 -0.010 0.000 0.940 499 K CB 0.153 32.648 32.500 -0.008 0.000 0.748 499 K HN 0.691 nan 8.250 nan 0.000 0.465 500 T N -2.840 111.709 114.554 -0.009 0.000 2.630 500 T HA 0.162 4.512 4.350 -0.000 0.000 0.225 500 T C -2.485 172.211 174.700 -0.007 0.000 0.897 500 T CA -0.618 61.478 62.100 -0.007 0.000 1.316 500 T CB 0.658 69.522 68.868 -0.007 0.000 1.743 500 T HN -0.219 nan 8.240 nan 0.000 0.436 501 P HA 0.499 nan 4.420 nan 0.000 0.272 501 P C -0.105 177.192 177.300 -0.005 0.000 1.408 501 P CA -0.112 62.986 63.100 -0.005 0.000 0.996 501 P CB -0.360 31.338 31.700 -0.004 0.000 1.481 502 A N 1.353 124.170 122.820 -0.006 0.000 2.522 502 A HA 0.259 4.578 4.320 -0.000 0.000 0.256 502 A C 0.895 178.476 177.584 -0.004 0.000 1.086 502 A CA 0.168 52.202 52.037 -0.006 0.000 0.763 502 A CB 0.021 19.017 19.000 -0.007 0.000 1.024 502 A HN 0.188 nan 8.150 nan 0.000 0.502 503 R N 3.025 123.524 120.500 -0.002 0.000 3.372 503 R HA 0.472 4.812 4.340 -0.000 0.000 0.150 503 R C 0.947 177.248 176.300 0.002 0.000 0.739 503 R CA 0.318 56.419 56.100 0.001 0.000 1.041 503 R CB -1.099 29.202 30.300 0.001 0.000 1.530 503 R HN 1.315 nan 8.270 nan 0.000 0.534 504 A N 3.020 125.840 122.820 0.000 0.000 1.624 504 A HA -0.192 4.128 4.320 -0.000 0.000 0.310 504 A C 1.059 178.644 177.584 0.002 0.000 1.077 504 A CA 0.605 52.642 52.037 -0.000 0.000 1.314 504 A CB -1.031 17.967 19.000 -0.003 0.000 0.857 504 A HN 0.465 nan 8.150 nan 0.000 0.237 505 L N 1.491 122.717 121.223 0.005 0.000 2.012 505 L HA -0.223 4.117 4.340 -0.000 0.000 0.210 505 L C 2.724 179.598 176.870 0.008 0.000 1.073 505 L CA 2.181 57.026 54.840 0.009 0.000 0.748 505 L CB -0.519 41.547 42.059 0.013 0.000 0.891 505 L HN 0.811 nan 8.230 nan 0.000 0.431 506 S N 0.123 115.827 115.700 0.006 0.000 2.380 506 S HA -0.251 4.219 4.470 -0.000 0.000 0.229 506 S C 1.784 176.384 174.600 -0.000 0.000 1.043 506 S CA 1.414 59.617 58.200 0.005 0.000 1.038 506 S CB -0.464 62.738 63.200 0.004 0.000 0.872 506 S HN 0.260 nan 8.310 nan 0.000 0.456 507 L N 1.214 122.435 121.223 -0.003 0.000 2.265 507 L HA -0.032 4.308 4.340 -0.000 0.000 0.215 507 L C 1.637 178.504 176.870 -0.006 0.000 1.117 507 L CA 1.128 55.965 54.840 -0.007 0.000 0.782 507 L CB -0.395 41.660 42.059 -0.007 0.000 0.914 507 L HN 0.248 nan 8.230 nan 0.000 0.441 508 I N 0.076 120.645 120.570 -0.002 0.000 2.244 508 I HA -0.162 4.008 4.170 -0.000 0.000 0.231 508 I C 1.119 177.236 176.117 -0.000 0.000 1.065 508 I CA 0.627 61.926 61.300 -0.001 0.000 1.358 508 I CB -1.274 36.728 38.000 0.004 0.000 1.130 508 I HN 0.285 nan 8.210 nan 0.000 0.411 509 K N 2.551 122.955 120.400 0.006 0.000 2.021 509 K HA 0.142 4.462 4.320 -0.000 0.000 0.238 509 K C 0.421 177.020 176.600 -0.002 0.000 1.149 509 K CA 0.275 56.567 56.287 0.008 0.000 1.105 509 K CB 0.614 33.126 32.500 0.019 0.000 1.246 509 K HN 0.327 nan 8.250 nan 0.000 0.307 510 R N 1.034 121.526 120.500 -0.013 0.000 3.350 510 R HA 0.075 4.415 4.340 -0.000 0.000 0.148 510 R C -1.047 175.227 176.300 -0.044 0.000 0.732 510 R CA -0.168 55.911 56.100 -0.034 0.000 1.152 510 R CB -0.416 29.865 30.300 -0.032 0.000 1.613 510 R HN 0.351 nan 8.270 nan 0.000 0.529 511 P HA 0.157 nan 4.420 nan 0.000 0.221 511 P C 0.329 177.619 177.300 -0.017 0.000 1.155 511 P CA 1.395 64.480 63.100 -0.024 0.000 0.812 511 P CB 0.440 32.132 31.700 -0.014 0.000 0.801 512 G N -1.111 107.685 108.800 -0.006 0.000 5.005 512 G HA2 0.215 4.175 3.960 -0.000 0.000 0.222 512 G HA3 0.215 4.175 3.960 -0.000 0.000 0.222 512 G C -0.577 174.332 174.900 0.016 0.000 1.437 512 G CA -0.289 44.815 45.100 0.007 0.000 0.894 512 G HN 0.098 nan 8.290 nan 0.000 0.394 513 I N 1.284 121.864 120.570 0.016 0.000 2.509 513 I HA 0.493 4.663 4.170 -0.000 0.000 0.293 513 I C 0.445 176.582 176.117 0.032 0.000 1.020 513 I CA -0.958 60.357 61.300 0.025 0.000 1.088 513 I CB 2.164 40.177 38.000 0.021 0.000 1.267 513 I HN 0.132 nan 8.210 nan 0.000 0.430 514 S N 4.624 120.348 115.700 0.041 0.000 2.580 514 S HA 0.186 4.656 4.470 -0.000 0.000 0.274 514 S C 1.038 175.662 174.600 0.040 0.000 1.329 514 S CA -0.415 57.810 58.200 0.041 0.000 1.036 514 S CB 0.826 64.050 63.200 0.039 0.000 0.919 514 S HN 0.634 nan 8.310 nan 0.000 0.515 515 L N 4.138 125.383 121.223 0.037 0.000 2.079 515 L HA -0.145 4.195 4.340 -0.000 0.000 0.210 515 L C 2.388 179.277 176.870 0.031 0.000 1.081 515 L CA 1.723 56.583 54.840 0.034 0.000 0.752 515 L CB -0.341 41.737 42.059 0.032 0.000 0.896 515 L HN 0.838 nan 8.230 nan 0.000 0.433 516 Q N -0.619 119.197 119.800 0.027 0.000 2.369 516 Q HA -0.163 4.177 4.340 -0.000 0.000 0.206 516 Q C 1.373 177.386 176.000 0.022 0.000 0.963 516 Q CA 1.041 56.854 55.803 0.017 0.000 0.894 516 Q CB 0.097 28.841 28.738 0.009 0.000 0.965 516 Q HN 0.592 nan 8.270 nan 0.000 0.475 517 D N 0.130 120.560 120.400 0.049 0.000 2.224 517 D HA -0.080 4.560 4.640 -0.000 0.000 0.205 517 D C 1.518 177.908 176.300 0.149 0.000 0.965 517 D CA 0.865 54.926 54.000 0.102 0.000 0.852 517 D CB 0.202 41.070 40.800 0.114 0.000 0.947 517 D HN 0.305 nan 8.370 nan 0.000 0.494 518 I N -0.116 120.509 120.570 0.091 0.000 2.270 518 I HA -0.167 4.003 4.170 -0.000 0.000 0.239 518 I C 1.997 178.153 176.117 0.065 0.000 1.080 518 I CA 0.218 61.572 61.300 0.091 0.000 1.383 518 I CB -0.026 38.008 38.000 0.057 0.000 1.097 518 I HN -0.121 nan 8.210 nan 0.000 0.420 519 L N 0.861 122.104 121.223 0.033 0.000 2.151 519 L HA -0.291 4.049 4.340 -0.000 0.000 0.215 519 L C 2.442 179.306 176.870 -0.010 0.000 1.084 519 L CA 1.865 56.713 54.840 0.013 0.000 0.764 519 L CB -0.712 41.351 42.059 0.006 0.000 0.891 519 L HN 0.315 nan 8.230 nan 0.000 0.435 520 E N -1.921 118.253 120.200 -0.043 0.000 2.216 520 E HA -0.174 4.176 4.350 -0.000 0.000 0.192 520 E C 1.761 178.238 176.600 -0.205 0.000 0.988 520 E CA 0.610 56.925 56.400 -0.142 0.000 0.834 520 E CB 0.129 29.698 29.700 -0.217 0.000 0.772 520 E HN 0.603 nan 8.360 nan 0.000 0.479 521 H N -0.705 118.368 119.070 0.005 0.000 2.639 521 H HA 0.145 4.701 4.556 -0.000 0.000 0.267 521 H C 0.421 175.751 175.328 0.004 0.000 0.958 521 H CA 0.785 56.835 56.048 0.004 0.000 1.221 521 H CB 0.843 30.608 29.762 0.004 0.000 1.446 521 H HN 0.050 nan 8.280 nan 0.000 0.512 522 S N 0.186 115.949 115.700 0.105 0.000 2.502 522 S HA 0.237 4.707 4.470 -0.000 0.000 0.304 522 S C 0.927 175.548 174.600 0.035 0.000 1.097 522 S CA -0.761 57.477 58.200 0.063 0.000 1.045 522 S CB 2.014 65.245 63.200 0.053 0.000 1.019 522 S HN 0.184 nan 8.310 nan 0.000 0.481 523 L N 2.899 124.139 121.223 0.028 0.000 2.217 523 L HA -0.028 4.311 4.340 -0.000 0.000 0.211 523 L C 2.738 179.617 176.870 0.016 0.000 1.107 523 L CA 1.384 56.234 54.840 0.017 0.000 0.783 523 L CB -0.493 41.575 42.059 0.015 0.000 0.919 523 L HN 0.986 nan 8.230 nan 0.000 0.442 524 S N -0.678 115.033 115.700 0.018 0.000 2.365 524 S HA -0.184 4.286 4.470 -0.000 0.000 0.225 524 S C 1.822 176.431 174.600 0.015 0.000 1.039 524 S CA 1.900 60.109 58.200 0.015 0.000 1.033 524 S CB -0.170 63.039 63.200 0.016 0.000 0.887 524 S HN 0.281 nan 8.310 nan 0.000 0.447 525 V N 3.534 123.459 119.914 0.018 0.000 2.273 525 V HA -0.103 4.017 4.120 -0.000 0.000 0.242 525 V C 2.618 178.721 176.094 0.015 0.000 1.035 525 V CA 1.954 64.264 62.300 0.018 0.000 1.013 525 V CB -0.897 30.940 31.823 0.022 0.000 0.652 525 V HN 0.597 nan 8.190 nan 0.000 0.452 526 R N 0.840 121.348 120.500 0.013 0.000 2.127 526 R HA -0.139 4.201 4.340 -0.000 0.000 0.238 526 R C 2.226 178.531 176.300 0.009 0.000 1.134 526 R CA 1.765 57.871 56.100 0.009 0.000 0.975 526 R CB -0.957 29.346 30.300 0.004 0.000 0.865 526 R HN 0.432 nan 8.270 nan 0.000 0.447 527 S N 1.168 116.874 115.700 0.009 0.000 2.383 527 S HA -0.044 4.426 4.470 -0.000 0.000 0.227 527 S C 2.108 176.714 174.600 0.011 0.000 1.026 527 S CA 1.175 59.380 58.200 0.009 0.000 0.981 527 S CB -0.050 63.155 63.200 0.009 0.000 0.818 527 S HN 0.585 nan 8.310 nan 0.000 0.472 528 A N 0.221 123.048 122.820 0.012 0.000 2.072 528 A HA 0.659 4.979 4.320 -0.000 0.000 0.216 528 A C 0.877 178.472 177.584 0.018 0.000 1.156 528 A CA 0.748 52.793 52.037 0.014 0.000 0.701 528 A CB 0.035 19.043 19.000 0.014 0.000 0.816 528 A HN 0.528 nan 8.150 nan 0.000 0.458 529 A N -0.554 122.276 122.820 0.017 0.000 2.626 529 A HA 0.545 4.865 4.320 -0.000 0.000 0.293 529 A C -0.301 177.292 177.584 0.015 0.000 1.111 529 A CA -0.073 51.976 52.037 0.019 0.000 0.874 529 A CB 0.321 19.335 19.000 0.024 0.000 1.451 529 A HN 0.199 nan 8.150 nan 0.000 0.396 530 E N 1.881 122.088 120.200 0.011 0.000 2.583 530 E HA 0.006 4.356 4.350 -0.000 0.000 0.213 530 E C 1.270 177.873 176.600 0.006 0.000 0.989 530 E CA 0.625 57.029 56.400 0.007 0.000 0.991 530 E CB 0.386 30.088 29.700 0.004 0.000 1.040 530 E HN 0.887 nan 8.360 nan 0.000 0.481 531 E N 0.953 121.158 120.200 0.009 0.000 2.107 531 E HA -0.176 4.173 4.350 -0.000 0.000 0.191 531 E C 2.083 178.687 176.600 0.007 0.000 0.982 531 E CA 0.862 57.266 56.400 0.006 0.000 0.809 531 E CB -0.464 29.240 29.700 0.007 0.000 0.756 531 E HN 0.365 nan 8.360 nan 0.000 0.459 532 L N -0.066 121.164 121.223 0.012 0.000 2.141 532 L HA -0.019 4.320 4.340 -0.000 0.000 0.209 532 L C 2.805 179.680 176.870 0.009 0.000 1.094 532 L CA 1.111 55.959 54.840 0.013 0.000 0.763 532 L CB -1.167 40.903 42.059 0.018 0.000 0.908 532 L HN 0.200 nan 8.230 nan 0.000 0.437 533 C N 2.088 121.392 119.300 0.007 0.000 2.388 533 C HA -0.178 4.282 4.460 -0.000 0.000 0.277 533 C C 2.828 177.819 174.990 0.001 0.000 1.210 533 C CA 1.880 60.900 59.018 0.003 0.000 1.743 533 C CB -1.086 26.654 27.740 0.000 0.000 2.047 533 C HN 0.720 nan 8.230 nan 0.000 0.458 534 N N 0.828 119.528 118.700 0.001 0.000 2.149 534 N HA -0.047 4.693 4.740 -0.000 0.000 0.188 534 N C 0.368 175.879 175.510 0.002 0.000 1.019 534 N CA 1.197 54.247 53.050 0.000 0.000 0.857 534 N CB -0.522 37.964 38.487 -0.001 0.000 0.997 534 N HN 0.631 nan 8.380 nan 0.000 0.426 535 D N 0.363 120.765 120.400 0.004 0.000 2.373 535 D HA 0.157 4.797 4.640 -0.000 0.000 0.227 535 D C -1.763 174.542 176.300 0.009 0.000 1.091 535 D CA -2.045 51.959 54.000 0.006 0.000 0.840 535 D CB 1.867 42.671 40.800 0.006 0.000 1.060 535 D HN 0.056 nan 8.370 nan 0.000 0.502 536 P HA 0.022 nan 4.420 nan 0.000 0.231 536 P C 1.226 178.534 177.300 0.013 0.000 1.168 536 P CA 0.267 63.372 63.100 0.008 0.000 0.779 536 P CB 0.848 32.550 31.700 0.005 0.000 0.844 537 R N -0.183 120.329 120.500 0.020 0.000 2.062 537 R HA 0.000 4.340 4.340 -0.000 0.000 0.226 537 R C 2.288 178.600 176.300 0.021 0.000 1.125 537 R CA 0.948 57.065 56.100 0.028 0.000 0.966 537 R CB -1.024 29.302 30.300 0.043 0.000 0.861 537 R HN 0.034 nan 8.270 nan 0.000 0.433 538 V N 1.430 121.354 119.914 0.017 0.000 2.252 538 V HA -0.303 3.816 4.120 -0.000 0.000 0.249 538 V C 2.533 178.639 176.094 0.019 0.000 1.056 538 V CA 2.104 64.414 62.300 0.017 0.000 1.022 538 V CB -0.853 30.980 31.823 0.015 0.000 0.641 538 V HN 0.421 nan 8.190 nan 0.000 0.445 539 A N -0.607 122.223 122.820 0.017 0.000 1.917 539 A HA -0.335 3.985 4.320 -0.000 0.000 0.219 539 A C 2.332 179.927 177.584 0.019 0.000 1.182 539 A CA 2.331 54.379 52.037 0.018 0.000 0.633 539 A CB -0.579 18.429 19.000 0.014 0.000 0.819 539 A HN 0.672 nan 8.150 nan 0.000 0.448 540 E N -1.032 119.175 120.200 0.013 0.000 2.072 540 E HA -0.208 4.142 4.350 -0.000 0.000 0.191 540 E C 2.146 178.752 176.600 0.009 0.000 0.985 540 E CA 1.070 57.474 56.400 0.006 0.000 0.801 540 E CB -0.138 29.558 29.700 -0.007 0.000 0.750 540 E HN 0.636 nan 8.360 nan 0.000 0.452 541 Q N 0.277 120.084 119.800 0.012 0.000 2.020 541 Q HA -0.100 4.240 4.340 -0.000 0.000 0.198 541 Q C 2.471 178.491 176.000 0.033 0.000 0.974 541 Q CA 1.120 56.932 55.803 0.014 0.000 0.829 541 Q CB -0.324 28.422 28.738 0.012 0.000 0.894 541 Q HN 0.238 nan 8.270 nan 0.000 0.433 542 V N 1.506 121.440 119.914 0.034 0.000 2.252 542 V HA -0.314 3.806 4.120 -0.000 0.000 0.249 542 V C 2.509 178.636 176.094 0.054 0.000 1.056 542 V CA 2.254 64.579 62.300 0.042 0.000 1.022 542 V CB -0.683 31.162 31.823 0.036 0.000 0.641 542 V HN 0.462 nan 8.190 nan 0.000 0.445 543 Q N -0.818 119.014 119.800 0.053 0.000 2.181 543 Q HA -0.211 4.129 4.340 -0.000 0.000 0.205 543 Q C 2.112 178.178 176.000 0.110 0.000 0.980 543 Q CA 1.912 57.755 55.803 0.066 0.000 0.862 543 Q CB -0.105 28.667 28.738 0.056 0.000 0.905 543 Q HN 0.692 nan 8.270 nan 0.000 0.429 544 I N 0.038 120.683 120.570 0.124 0.000 2.339 544 I HA -0.165 4.005 4.170 -0.000 0.000 0.245 544 I C 2.124 178.379 176.117 0.229 0.000 1.096 544 I CA 0.480 61.913 61.300 0.221 0.000 1.408 544 I CB -0.183 37.877 38.000 0.101 0.000 1.092 544 I HN 0.078 nan 8.210 nan 0.000 0.423 545 E N 1.078 121.355 120.200 0.128 0.000 2.233 545 E HA -0.241 4.109 4.350 -0.000 0.000 0.199 545 E C 2.090 178.756 176.600 0.110 0.000 1.004 545 E CA 1.798 58.264 56.400 0.109 0.000 0.819 545 E CB -0.170 29.571 29.700 0.068 0.000 0.738 545 E HN 0.703 nan 8.360 nan 0.000 0.478 546 I N -3.023 117.606 120.570 0.098 0.000 3.339 546 I HA 0.063 4.233 4.170 -0.000 0.000 0.285 546 I C 1.942 178.088 176.117 0.049 0.000 1.201 546 I CA 0.315 61.653 61.300 0.064 0.000 1.434 546 I CB 0.032 38.057 38.000 0.041 0.000 1.152 546 I HN -0.239 nan 8.210 nan 0.000 0.443 547 K N 0.230 120.667 120.400 0.063 0.000 2.439 547 K HA 0.018 4.338 4.320 -0.000 0.000 0.197 547 K C 0.083 176.535 176.600 -0.248 0.000 1.041 547 K CA 1.075 57.320 56.287 -0.069 0.000 0.970 547 K CB 0.044 32.511 32.500 -0.053 0.000 0.773 547 K HN 0.420 nan 8.250 nan 0.000 0.479 548 Y N -0.575 119.786 120.300 0.102 0.000 2.698 548 Y HA 0.075 4.625 4.550 -0.000 0.000 0.261 548 Y C 1.244 177.221 175.900 0.128 0.000 1.104 548 Y CA -0.498 57.702 58.100 0.165 0.000 1.145 548 Y CB 0.612 39.153 38.460 0.134 0.000 1.191 548 Y HN -0.030 nan 8.280 nan 0.000 0.564 549 E N 0.961 121.248 120.200 0.144 0.000 2.038 549 E HA -0.152 4.198 4.350 -0.000 0.000 0.195 549 E C 2.427 179.051 176.600 0.040 0.000 1.000 549 E CA 2.102 58.548 56.400 0.078 0.000 0.803 549 E CB -0.449 29.268 29.700 0.027 0.000 0.750 549 E HN 0.506 nan 8.360 nan 0.000 0.448 550 G N -0.870 107.906 108.800 -0.040 0.000 2.491 550 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.218 550 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.218 550 G C 1.363 176.162 174.900 -0.169 0.000 1.180 550 G CA 1.285 46.273 45.100 -0.187 0.000 0.774 550 G HN 0.406 nan 8.290 nan 0.000 0.562 551 Y N 0.283 120.627 120.300 0.073 0.000 2.314 551 Y HA 0.146 4.696 4.550 -0.000 0.000 0.293 551 Y C 2.687 178.626 175.900 0.064 0.000 1.129 551 Y CA 0.336 58.485 58.100 0.082 0.000 1.201 551 Y CB -0.116 38.434 38.460 0.149 0.000 0.999 551 Y HN 0.125 nan 8.280 nan 0.000 0.541 552 I N -0.110 120.589 120.570 0.216 0.000 2.202 552 I HA -0.274 3.896 4.170 -0.000 0.000 0.242 552 I C 2.391 178.552 176.117 0.073 0.000 1.091 552 I CA 1.347 62.725 61.300 0.130 0.000 1.368 552 I CB -0.206 37.866 38.000 0.120 0.000 1.058 552 I HN 0.041 nan 8.210 nan 0.000 0.410 553 K N 1.049 121.479 120.400 0.051 0.000 2.057 553 K HA -0.201 4.119 4.320 -0.000 0.000 0.207 553 K C 2.241 178.848 176.600 0.012 0.000 1.049 553 K CA 1.421 57.721 56.287 0.022 0.000 0.931 553 K CB -0.179 32.322 32.500 0.003 0.000 0.714 553 K HN 0.044 nan 8.250 nan 0.000 0.440 554 R N 0.511 121.017 120.500 0.010 0.000 2.073 554 R HA -0.121 4.219 4.340 -0.000 0.000 0.234 554 R C 1.915 178.215 176.300 -0.000 0.000 1.134 554 R CA 1.941 58.043 56.100 0.003 0.000 0.952 554 R CB -0.083 30.221 30.300 0.005 0.000 0.850 554 R HN 0.297 nan 8.270 nan 0.000 0.433 555 E N -0.177 120.031 120.200 0.013 0.000 2.106 555 E HA -0.245 4.105 4.350 -0.000 0.000 0.192 555 E C 2.028 178.594 176.600 -0.055 0.000 0.984 555 E CA 1.128 57.501 56.400 -0.046 0.000 0.806 555 E CB 0.032 29.719 29.700 -0.022 0.000 0.750 555 E HN 0.414 nan 8.360 nan 0.000 0.458 556 Q N 0.272 120.072 119.800 -0.000 0.000 2.230 556 Q HA -0.127 4.213 4.340 -0.000 0.000 0.202 556 Q C 2.045 178.056 176.000 0.018 0.000 0.963 556 Q CA 0.513 56.329 55.803 0.022 0.000 0.866 556 Q CB 0.156 28.913 28.738 0.032 0.000 0.931 556 Q HN 0.138 nan 8.270 nan 0.000 0.452 557 L N -0.791 120.435 121.223 0.004 0.000 2.056 557 L HA -0.144 4.196 4.340 -0.000 0.000 0.207 557 L C 2.023 178.895 176.870 0.003 0.000 1.078 557 L CA 1.177 56.019 54.840 0.004 0.000 0.749 557 L CB -0.265 41.792 42.059 -0.003 0.000 0.901 557 L HN 0.088 nan 8.230 nan 0.000 0.433 558 V N -0.724 119.179 119.914 -0.018 0.000 2.358 558 V HA -0.220 3.900 4.120 -0.000 0.000 0.246 558 V C 2.664 178.781 176.094 0.038 0.000 1.047 558 V CA 1.398 63.686 62.300 -0.020 0.000 1.035 558 V CB -1.375 30.399 31.823 -0.083 0.000 0.658 558 V HN 0.496 nan 8.190 nan 0.000 0.452 559 A N 0.004 122.861 122.820 0.062 0.000 2.024 559 A HA -0.262 4.058 4.320 -0.000 0.000 0.220 559 A C 1.891 179.558 177.584 0.139 0.000 1.164 559 A CA 2.277 54.473 52.037 0.265 0.000 0.643 559 A CB -0.532 18.631 19.000 0.270 0.000 0.806 559 A HN 0.562 nan 8.150 nan 0.000 0.451 560 D N -0.993 119.453 120.400 0.075 0.000 2.201 560 D HA -0.062 4.578 4.640 -0.000 0.000 0.209 560 D C 2.277 178.599 176.300 0.036 0.000 0.961 560 D CA 1.298 55.326 54.000 0.048 0.000 0.861 560 D CB -0.267 40.553 40.800 0.033 0.000 0.997 560 D HN 0.659 nan 8.370 nan 0.000 0.486 561 R N 1.116 121.635 120.500 0.032 0.000 2.152 561 R HA -0.030 4.310 4.340 -0.000 0.000 0.232 561 R C 2.201 178.513 176.300 0.021 0.000 1.117 561 R CA 0.840 56.952 56.100 0.019 0.000 0.981 561 R CB -0.686 29.622 30.300 0.013 0.000 0.870 561 R HN 0.270 nan 8.270 nan 0.000 0.451 562 I N 1.005 121.599 120.570 0.039 0.000 2.202 562 I HA -0.160 4.010 4.170 -0.000 0.000 0.242 562 I C 2.314 178.440 176.117 0.015 0.000 1.091 562 I CA 1.668 62.989 61.300 0.034 0.000 1.368 562 I CB -0.289 37.748 38.000 0.061 0.000 1.058 562 I HN 0.322 nan 8.210 nan 0.000 0.410 563 A N 1.310 124.141 122.820 0.019 0.000 1.972 563 A HA -0.255 4.065 4.320 -0.000 0.000 0.219 563 A C 2.507 180.084 177.584 -0.012 0.000 1.169 563 A CA 1.721 53.761 52.037 0.004 0.000 0.635 563 A CB -0.766 18.243 19.000 0.015 0.000 0.810 563 A HN 0.574 nan 8.150 nan 0.000 0.446 564 R N -0.062 120.435 120.500 -0.006 0.000 2.070 564 R HA -0.086 4.254 4.340 -0.000 0.000 0.233 564 R C 1.921 178.200 176.300 -0.034 0.000 1.137 564 R CA 1.825 57.915 56.100 -0.017 0.000 0.945 564 R CB -0.472 29.824 30.300 -0.006 0.000 0.845 564 R HN 0.515 nan 8.270 nan 0.000 0.430 565 L N 0.728 121.937 121.223 -0.023 0.000 2.141 565 L HA -0.141 4.199 4.340 -0.000 0.000 0.209 565 L C 2.024 178.870 176.870 -0.040 0.000 1.094 565 L CA 0.959 55.783 54.840 -0.027 0.000 0.763 565 L CB -0.505 41.546 42.059 -0.013 0.000 0.908 565 L HN 0.211 nan 8.230 nan 0.000 0.437 566 D N -0.525 119.851 120.400 -0.039 0.000 2.178 566 D HA -0.167 4.473 4.640 -0.000 0.000 0.202 566 D C 2.359 178.592 176.300 -0.112 0.000 0.974 566 D CA 1.336 55.305 54.000 -0.050 0.000 0.841 566 D CB 0.067 40.848 40.800 -0.031 0.000 0.953 566 D HN 0.140 nan 8.370 nan 0.000 0.478 567 S N 0.611 116.228 115.700 -0.139 0.000 2.365 567 S HA -0.182 4.288 4.470 -0.000 0.000 0.225 567 S C 1.059 175.378 174.600 -0.469 0.000 1.039 567 S CA 0.466 58.503 58.200 -0.272 0.000 1.033 567 S CB -0.587 62.520 63.200 -0.155 0.000 0.887 567 S HN 0.289 nan 8.310 nan 0.000 0.447 568 L N 1.996 123.075 121.223 -0.239 0.000 2.865 568 L HA 0.122 4.462 4.340 -0.000 0.000 0.283 568 L C 0.975 177.766 176.870 -0.133 0.000 1.101 568 L CA 0.489 55.232 54.840 -0.161 0.000 1.061 568 L CB -0.514 41.500 42.059 -0.075 0.000 1.437 568 L HN 0.185 nan 8.230 nan 0.000 0.460 569 H N 4.438 123.521 119.070 0.021 0.000 2.502 569 H HA -0.009 4.547 4.556 -0.000 0.000 0.283 569 H C 2.002 177.351 175.328 0.035 0.000 1.015 569 H CA 1.722 57.788 56.048 0.030 0.000 1.298 569 H CB 0.192 29.970 29.762 0.027 0.000 1.411 569 H HN 0.923 nan 8.280 nan 0.000 0.556 570 I N 0.673 121.318 120.570 0.124 0.000 2.151 570 I HA -0.067 4.103 4.170 -0.000 0.000 0.243 570 I C -1.093 175.072 176.117 0.081 0.000 1.080 570 I CA 0.163 61.512 61.300 0.081 0.000 1.339 570 I CB -2.191 35.830 38.000 0.035 0.000 1.039 570 I HN -0.034 nan 8.210 nan 0.000 0.409 571 P HA -0.029 nan 4.420 nan 0.000 0.257 571 P C -0.429 177.005 177.300 0.224 0.000 1.189 571 P CA 0.890 64.072 63.100 0.137 0.000 0.780 571 P CB 1.027 32.826 31.700 0.165 0.000 0.772 572 D N 2.735 123.266 120.400 0.218 0.000 3.018 572 D HA -0.037 4.603 4.640 -0.000 0.000 0.198 572 D C 0.808 177.146 176.300 0.062 0.000 1.474 572 D CA 0.230 54.304 54.000 0.124 0.000 1.429 572 D CB -0.327 40.523 40.800 0.084 0.000 1.289 572 D HN 0.164 nan 8.370 nan 0.000 0.310 573 N N -0.062 118.687 118.700 0.082 0.000 2.276 573 N HA 0.136 4.876 4.740 -0.000 0.000 0.212 573 N C -0.449 175.070 175.510 0.015 0.000 1.127 573 N CA -0.237 52.825 53.050 0.019 0.000 0.834 573 N CB -0.105 38.398 38.487 0.027 0.000 1.014 573 N HN 0.117 nan 8.380 nan 0.000 0.491 574 F N -1.268 118.590 119.950 -0.154 0.000 2.379 574 F HA 0.540 5.067 4.527 -0.000 0.000 0.332 574 F C 0.198 175.846 175.800 -0.253 0.000 1.096 574 F CA -1.292 56.604 58.000 -0.173 0.000 1.105 574 F CB 0.479 39.378 39.000 -0.168 0.000 1.189 574 F HN -0.220 nan 8.300 nan 0.000 0.515 575 N N 2.887 121.416 118.700 -0.285 0.000 2.470 575 N HA 0.035 4.775 4.740 -0.000 0.000 0.268 575 N C 0.389 175.644 175.510 -0.425 0.000 1.136 575 N CA 0.035 52.886 53.050 -0.331 0.000 0.961 575 N CB 0.451 38.887 38.487 -0.085 0.000 1.067 575 N HN 0.723 nan 8.380 nan 0.000 0.468 576 Y N 0.883 120.947 120.300 -0.394 0.000 2.293 576 Y HA -0.110 4.440 4.550 -0.000 0.000 0.291 576 Y C 1.925 177.792 175.900 -0.056 0.000 1.137 576 Y CA 0.919 58.878 58.100 -0.235 0.000 1.202 576 Y CB 0.132 38.465 38.460 -0.211 0.000 0.990 576 Y HN 0.548 nan 8.280 nan 0.000 0.537 577 D N -0.541 119.912 120.400 0.089 0.000 2.144 577 D HA -0.151 4.489 4.640 -0.000 0.000 0.199 577 D C 1.995 178.332 176.300 0.062 0.000 0.984 577 D CA 1.524 55.561 54.000 0.061 0.000 0.834 577 D CB -0.135 40.684 40.800 0.031 0.000 0.955 577 D HN 0.247 nan 8.370 nan 0.000 0.465 578 S N 0.457 116.193 115.700 0.061 0.000 2.488 578 S HA -0.132 4.338 4.470 -0.000 0.000 0.246 578 S C 1.038 175.690 174.600 0.087 0.000 0.992 578 S CA 0.082 58.324 58.200 0.071 0.000 0.963 578 S CB -0.082 63.171 63.200 0.088 0.000 0.754 578 S HN 0.243 nan 8.310 nan 0.000 0.519 579 L N 2.160 123.450 121.223 0.112 0.000 2.367 579 L HA 0.155 4.495 4.340 -0.000 0.000 0.275 579 L C 1.401 178.311 176.870 0.067 0.000 1.129 579 L CA -0.309 54.594 54.840 0.105 0.000 0.839 579 L CB 0.694 42.842 42.059 0.148 0.000 1.133 579 L HN -0.021 nan 8.230 nan 0.000 0.453 580 N N 1.640 120.370 118.700 0.049 0.000 2.060 580 N HA -0.192 4.548 4.740 -0.000 0.000 0.195 580 N C 0.149 175.677 175.510 0.030 0.000 1.028 580 N CA 1.683 54.752 53.050 0.033 0.000 0.861 580 N CB 0.193 38.694 38.487 0.024 0.000 1.029 580 N HN 0.558 nan 8.380 nan 0.000 0.428 581 S N -1.276 114.444 115.700 0.034 0.000 2.387 581 S HA 0.323 4.793 4.470 -0.000 0.000 0.211 581 S C -0.144 174.476 174.600 0.033 0.000 1.055 581 S CA -0.857 57.359 58.200 0.027 0.000 1.133 581 S CB -0.176 63.035 63.200 0.018 0.000 1.235 581 S HN 0.215 nan 8.310 nan 0.000 0.425 582 L N 3.011 124.257 121.223 0.038 0.000 2.588 582 L HA 0.244 4.584 4.340 -0.000 0.000 0.194 582 L C 2.084 178.966 176.870 0.021 0.000 1.070 582 L CA 0.934 55.799 54.840 0.043 0.000 0.852 582 L CB -0.010 42.092 42.059 0.073 0.000 1.199 582 L HN 0.770 nan 8.230 nan 0.000 0.486 583 S N -1.552 114.156 115.700 0.012 0.000 2.836 583 S HA 0.199 4.669 4.470 -0.000 0.000 0.164 583 S C 1.202 175.792 174.600 -0.017 0.000 0.714 583 S CA 0.483 58.681 58.200 -0.004 0.000 0.906 583 S CB 0.394 63.590 63.200 -0.007 0.000 0.702 583 S HN 0.299 nan 8.310 nan 0.000 0.571 584 S N 1.671 117.360 115.700 -0.019 0.000 4.037 584 S HA -0.397 4.073 4.470 -0.000 0.000 0.541 584 S C 1.285 175.861 174.600 -0.040 0.000 1.833 584 S CA 1.502 59.685 58.200 -0.029 0.000 4.032 584 S CB -1.750 61.431 63.200 -0.031 0.000 1.234 584 S HN 0.786 nan 8.310 nan 0.000 0.625 585 E N 0.822 120.993 120.200 -0.048 0.000 2.149 585 E HA -0.278 4.072 4.350 -0.000 0.000 0.215 585 E C 2.161 178.725 176.600 -0.061 0.000 1.055 585 E CA 1.733 58.097 56.400 -0.060 0.000 0.870 585 E CB -0.961 28.698 29.700 -0.069 0.000 0.764 585 E HN 0.640 nan 8.360 nan 0.000 0.463 586 G N 0.375 109.145 108.800 -0.050 0.000 2.476 586 G HA2 -0.347 3.613 3.960 -0.000 0.000 0.218 586 G HA3 -0.347 3.613 3.960 -0.000 0.000 0.218 586 G C 1.601 176.457 174.900 -0.074 0.000 1.164 586 G CA 0.985 46.056 45.100 -0.049 0.000 0.768 586 G HN 0.210 nan 8.290 nan 0.000 0.560 587 R N 0.359 120.820 120.500 -0.065 0.000 2.115 587 R HA 0.002 4.342 4.340 -0.000 0.000 0.226 587 R C 2.407 178.615 176.300 -0.154 0.000 1.100 587 R CA 1.163 57.207 56.100 -0.094 0.000 0.980 587 R CB -0.139 30.145 30.300 -0.027 0.000 0.875 587 R HN 0.429 nan 8.270 nan 0.000 0.445 588 E N 0.058 120.190 120.200 -0.113 0.000 2.158 588 E HA -0.115 4.235 4.350 -0.000 0.000 0.191 588 E C 1.745 178.259 176.600 -0.142 0.000 0.982 588 E CA 0.595 56.924 56.400 -0.119 0.000 0.823 588 E CB 0.181 29.828 29.700 -0.089 0.000 0.766 588 E HN 0.191 nan 8.360 nan 0.000 0.468 589 K N 0.738 121.070 120.400 -0.113 0.000 2.155 589 K HA -0.020 4.300 4.320 -0.000 0.000 0.203 589 K C 2.243 178.798 176.600 -0.075 0.000 1.052 589 K CA 0.442 56.706 56.287 -0.039 0.000 0.948 589 K CB -0.079 32.434 32.500 0.021 0.000 0.728 589 K HN 0.184 nan 8.250 nan 0.000 0.448 590 L N 0.497 121.565 121.223 -0.258 0.000 2.056 590 L HA -0.127 4.213 4.340 -0.000 0.000 0.207 590 L C 2.340 178.802 176.870 -0.680 0.000 1.078 590 L CA 0.883 55.394 54.840 -0.547 0.000 0.749 590 L CB -0.362 41.142 42.059 -0.925 0.000 0.901 590 L HN 0.066 nan 8.230 nan 0.000 0.433 591 L N -0.450 120.456 121.223 -0.528 0.000 2.156 591 L HA -0.167 4.173 4.340 -0.000 0.000 0.208 591 L C 2.619 179.382 176.870 -0.178 0.000 1.095 591 L CA 1.016 55.686 54.840 -0.284 0.000 0.770 591 L CB -0.337 41.629 42.059 -0.155 0.000 0.914 591 L HN 0.204 nan 8.230 nan 0.000 0.439 592 K N -0.778 119.493 120.400 -0.216 0.000 1.991 592 K HA -0.146 4.174 4.320 -0.000 0.000 0.207 592 K C 2.235 178.671 176.600 -0.273 0.000 1.045 592 K CA 1.154 57.281 56.287 -0.266 0.000 0.937 592 K CB -0.009 32.261 32.500 -0.382 0.000 0.720 592 K HN 0.331 nan 8.250 nan 0.000 0.438 593 H N -0.213 118.796 119.070 -0.103 0.000 2.403 593 H HA 0.026 4.582 4.556 -0.000 0.000 0.298 593 H C 0.366 175.669 175.328 -0.042 0.000 1.059 593 H CA 0.968 56.976 56.048 -0.068 0.000 1.363 593 H CB 0.205 29.925 29.762 -0.069 0.000 1.410 593 H HN 0.093 nan 8.280 nan 0.000 0.528 594 R N 0.946 121.473 120.500 0.046 0.000 3.084 594 R HA -0.093 4.247 4.340 -0.000 0.000 0.258 594 R C -2.843 173.532 176.300 0.125 0.000 0.914 594 R CA -0.182 55.969 56.100 0.085 0.000 0.646 594 R CB -1.698 28.648 30.300 0.078 0.000 1.330 594 R HN 0.259 nan 8.270 nan 0.000 0.465 595 P HA 0.172 nan 4.420 nan 0.000 0.271 595 P C 0.300 177.690 177.300 0.150 0.000 1.220 595 P CA 0.444 63.617 63.100 0.122 0.000 0.768 595 P CB 1.285 33.047 31.700 0.103 0.000 0.848 596 A N 2.704 125.600 122.820 0.126 0.000 1.854 596 A HA -0.000 4.320 4.320 -0.000 0.000 0.214 596 A C 1.209 178.901 177.584 0.180 0.000 1.192 596 A CA 1.632 53.754 52.037 0.142 0.000 0.611 596 A CB -0.780 18.290 19.000 0.118 0.000 0.832 596 A HN 0.548 nan 8.150 nan 0.000 0.442 597 T N -1.388 113.264 114.554 0.162 0.000 2.888 597 T HA 0.475 4.825 4.350 -0.000 0.000 0.284 597 T C 1.063 175.806 174.700 0.073 0.000 1.017 597 T CA -0.076 62.093 62.100 0.114 0.000 1.022 597 T CB 0.921 69.835 68.868 0.077 0.000 1.013 597 T HN 0.537 nan 8.240 nan 0.000 0.465 598 I N 1.954 122.549 120.570 0.042 0.000 2.830 598 I HA 0.287 4.457 4.170 -0.000 0.000 0.263 598 I C 1.958 178.088 176.117 0.023 0.000 1.230 598 I CA 1.027 62.356 61.300 0.047 0.000 1.480 598 I CB -0.414 37.608 38.000 0.038 0.000 1.095 598 I HN 0.652 nan 8.210 nan 0.000 0.455 599 G N 0.613 109.415 108.800 0.002 0.000 2.402 599 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.216 599 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.216 599 G C 1.606 176.510 174.900 0.008 0.000 1.162 599 G CA 0.723 45.822 45.100 -0.001 0.000 0.777 599 G HN 0.550 nan 8.290 nan 0.000 0.539 600 Q N 0.252 120.065 119.800 0.021 0.000 2.170 600 Q HA -0.039 4.301 4.340 -0.000 0.000 0.203 600 Q C 2.675 178.676 176.000 0.001 0.000 0.976 600 Q CA 1.393 57.206 55.803 0.018 0.000 0.858 600 Q CB -0.253 28.509 28.738 0.041 0.000 0.907 600 Q HN 0.421 nan 8.270 nan 0.000 0.433 601 A N 0.491 123.323 122.820 0.019 0.000 2.014 601 A HA -0.111 4.209 4.320 -0.000 0.000 0.218 601 A C 2.074 179.653 177.584 -0.009 0.000 1.163 601 A CA 1.417 53.462 52.037 0.013 0.000 0.652 601 A CB -0.376 18.659 19.000 0.059 0.000 0.808 601 A HN 0.542 nan 8.150 nan 0.000 0.449 602 S N -0.882 114.815 115.700 -0.004 0.000 2.562 602 S HA 0.051 4.521 4.470 -0.000 0.000 0.221 602 S C 1.499 176.085 174.600 -0.023 0.000 0.975 602 S CA 0.447 58.640 58.200 -0.011 0.000 0.918 602 S CB -0.178 63.020 63.200 -0.003 0.000 0.772 602 S HN 0.609 nan 8.310 nan 0.000 0.531 603 R N 0.298 120.778 120.500 -0.032 0.000 2.334 603 R HA 0.330 4.670 4.340 -0.000 0.000 0.212 603 R C -0.317 175.943 176.300 -0.067 0.000 0.897 603 R CA -0.172 55.906 56.100 -0.038 0.000 1.056 603 R CB 0.160 30.444 30.300 -0.027 0.000 1.046 603 R HN 0.367 nan 8.270 nan 0.000 0.513 604 I N 2.056 122.565 120.570 -0.102 0.000 2.533 604 I HA -0.080 4.090 4.170 -0.000 0.000 0.284 604 I C 1.572 177.620 176.117 -0.115 0.000 1.109 604 I CA 0.140 61.341 61.300 -0.165 0.000 1.412 604 I CB 0.538 38.416 38.000 -0.204 0.000 1.396 604 I HN 0.146 nan 8.210 nan 0.000 0.543 605 L N 5.965 127.115 121.223 -0.122 0.000 2.362 605 L HA -0.054 4.286 4.340 -0.000 0.000 0.219 605 L C 2.146 178.935 176.870 -0.136 0.000 1.134 605 L CA 1.239 56.008 54.840 -0.119 0.000 0.807 605 L CB -0.109 41.852 42.059 -0.163 0.000 0.927 605 L HN 0.838 nan 8.230 nan 0.000 0.447 606 G N -0.805 107.920 108.800 -0.125 0.000 2.394 606 G HA2 -0.108 3.852 3.960 -0.000 0.000 0.215 606 G HA3 -0.108 3.852 3.960 -0.000 0.000 0.215 606 G C 0.725 175.578 174.900 -0.077 0.000 1.165 606 G CA 0.589 45.627 45.100 -0.105 0.000 0.784 606 G HN 0.256 nan 8.290 nan 0.000 0.535 607 V N 1.118 120.993 119.914 -0.064 0.000 2.686 607 V HA 0.620 4.739 4.120 -0.000 0.000 0.295 607 V C 0.222 176.294 176.094 -0.037 0.000 1.055 607 V CA -0.412 61.861 62.300 -0.044 0.000 1.050 607 V CB 1.264 33.067 31.823 -0.033 0.000 0.984 607 V HN 0.400 nan 8.190 nan 0.000 0.482 608 S N 3.822 119.507 115.700 -0.025 0.000 2.687 608 S HA 0.611 5.080 4.470 -0.000 0.000 0.283 608 S C -1.766 172.828 174.600 -0.010 0.000 1.170 608 S CA -1.164 57.024 58.200 -0.020 0.000 1.008 608 S CB 1.203 64.392 63.200 -0.018 0.000 1.026 608 S HN 0.663 nan 8.310 nan 0.000 0.541 609 P HA -0.001 nan 4.420 nan 0.000 0.218 609 P C 1.217 178.518 177.300 0.002 0.000 1.148 609 P CA 1.038 64.136 63.100 -0.003 0.000 0.822 609 P CB -0.065 31.633 31.700 -0.003 0.000 0.784 610 S N -0.924 114.777 115.700 0.001 0.000 2.461 610 S HA -0.084 4.386 4.470 -0.000 0.000 0.228 610 S C 1.337 175.942 174.600 0.009 0.000 1.005 610 S CA 1.097 59.299 58.200 0.004 0.000 0.942 610 S CB -0.716 62.485 63.200 0.001 0.000 0.776 610 S HN 0.200 nan 8.310 nan 0.000 0.514 611 D N 0.784 121.191 120.400 0.010 0.000 2.137 611 D HA -0.004 4.636 4.640 -0.000 0.000 0.202 611 D C 1.875 178.195 176.300 0.034 0.000 0.970 611 D CA 0.464 54.477 54.000 0.022 0.000 0.837 611 D CB -0.339 40.471 40.800 0.016 0.000 0.981 611 D HN 0.146 nan 8.370 nan 0.000 0.475 612 V N 0.077 120.006 119.914 0.027 0.000 2.759 612 V HA -0.169 3.951 4.120 -0.000 0.000 0.256 612 V C 1.861 177.970 176.094 0.025 0.000 1.080 612 V CA 1.601 63.921 62.300 0.032 0.000 1.101 612 V CB -0.258 31.578 31.823 0.022 0.000 0.698 612 V HN 0.096 nan 8.190 nan 0.000 0.477 613 S N 0.307 116.017 115.700 0.017 0.000 2.423 613 S HA 0.006 4.476 4.470 -0.000 0.000 0.231 613 S C 1.545 176.153 174.600 0.012 0.000 1.014 613 S CA 1.666 59.873 58.200 0.011 0.000 0.965 613 S CB -0.250 62.955 63.200 0.008 0.000 0.785 613 S HN 0.711 nan 8.310 nan 0.000 0.495 614 I N 0.159 120.742 120.570 0.022 0.000 3.419 614 I HA 0.084 4.254 4.170 -0.000 0.000 0.286 614 I C 1.649 177.785 176.117 0.030 0.000 1.268 614 I CA 0.404 61.719 61.300 0.024 0.000 1.414 614 I CB -0.060 37.959 38.000 0.033 0.000 1.074 614 I HN 0.157 nan 8.210 nan 0.000 0.457 615 L N -0.053 121.194 121.223 0.040 0.000 2.446 615 L HA 0.154 4.494 4.340 -0.000 0.000 0.219 615 L C 2.171 179.038 176.870 -0.005 0.000 1.116 615 L CA 1.151 56.017 54.840 0.044 0.000 0.844 615 L CB -0.046 42.072 42.059 0.098 0.000 0.970 615 L HN 0.164 nan 8.230 nan 0.000 0.457 616 M N -0.908 118.689 119.600 -0.005 0.000 2.429 616 M HA 0.062 4.542 4.480 -0.000 0.000 0.265 616 M C 1.764 178.047 176.300 -0.028 0.000 1.120 616 M CA 0.925 56.213 55.300 -0.019 0.000 1.173 616 M CB -0.065 32.530 32.600 -0.009 0.000 1.343 616 M HN 0.238 nan 8.290 nan 0.000 0.464 617 I N -1.728 118.830 120.570 -0.021 0.000 3.493 617 I HA -0.096 4.074 4.170 -0.000 0.000 0.311 617 I C 1.630 177.723 176.117 -0.038 0.000 1.210 617 I CA 0.662 61.948 61.300 -0.024 0.000 1.210 617 I CB -0.293 37.699 38.000 -0.013 0.000 0.993 617 I HN 0.194 nan 8.210 nan 0.000 0.539 618 R N 0.230 120.695 120.500 -0.059 0.000 2.437 618 R HA 0.475 4.815 4.340 -0.000 0.000 0.184 618 R C 0.709 176.932 176.300 -0.129 0.000 0.850 618 R CA 0.258 56.298 56.100 -0.098 0.000 1.073 618 R CB 0.293 30.517 30.300 -0.126 0.000 1.336 618 R HN 0.319 nan 8.270 nan 0.000 0.640 619 L N 0.000 121.150 121.223 -0.122 0.000 2.949 619 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 619 L CA 0.000 54.766 54.840 -0.124 0.000 0.813 619 L CB 0.000 41.980 42.059 -0.132 0.000 0.961 619 L HN 0.000 nan 8.230 nan 0.000 0.502