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 1xan_1_A DATA FIRST_RESID 18 DATA SEQUENCE VASYDYLVIG GGSGGLASAR RAAELGARAA VVESHKLGGT cVNVGcVPKK DATA SEQUENCE VMWNTAVHSE FMHDHADYGF PSCEGKFNWR VIKEKRDAYV SRLNAIYQNN DATA SEQUENCE LTKSHIEIIR GHAAFTSDPK PTIEVSGKKY TAPHILIATG GMPSTPHESQ DATA SEQUENCE IPGASLGITS DGFFQLEELP GRSVIVGAGY IAVEMAGILS ALGSKTSLMI DATA SEQUENCE RHDKVLRSFD SMISTNCTEE LENAGVEVLK FSQVKEVKKT LSGLEVSMVT DATA SEQUENCE AVPGRLPVMT MIPDVDCLLW AIGRVPNTKD LSLNKLGIQT DDKGHIIVDE DATA SEQUENCE FQNTNVKGIY AVGDVCGKAL LTPVAIAAGR KLAHRLFEYK EDSKLDYNNI DATA SEQUENCE PTVVFSHPPI GTVGLTEDEA IHKYGIENVK TYSTSFTPMY HAVTKRKTKC DATA SEQUENCE VMKMVCANKE EKVVGIHMQG LGCDEMLQGF AVAVKMGATK ADFDNTVAIH DATA SEQUENCE PTSSEELVTL R 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 18 V HA 0.000 nan 4.120 nan 0.000 0.244 18 V C 0.000 176.045 176.094 -0.081 0.000 1.182 18 V CA 0.000 62.241 62.300 -0.098 0.000 1.235 18 V CB 0.000 31.799 31.823 -0.039 0.000 1.184 19 A N 2.766 125.516 122.820 -0.116 0.000 2.409 19 A HA 0.767 5.087 4.320 0.000 0.000 0.262 19 A C 0.393 177.983 177.584 0.011 0.000 1.113 19 A CA 0.241 52.240 52.037 -0.063 0.000 0.790 19 A CB 0.999 20.004 19.000 0.009 0.000 1.046 19 A HN 0.951 nan 8.150 nan 0.000 0.496 20 S N 0.970 116.610 115.700 -0.100 0.000 2.549 20 S HA 0.779 5.249 4.470 0.000 0.000 0.297 20 S C -1.131 173.352 174.600 -0.195 0.000 1.115 20 S CA -0.299 57.887 58.200 -0.023 0.000 1.059 20 S CB 0.339 63.538 63.200 -0.002 0.000 1.046 20 S HN 0.522 nan 8.310 nan 0.000 0.506 21 Y N 0.525 120.901 120.300 0.126 0.000 2.669 21 Y HA 0.391 4.941 4.550 0.000 0.000 0.335 21 Y C 0.901 176.902 175.900 0.168 0.000 1.116 21 Y CA -0.834 57.343 58.100 0.128 0.000 1.081 21 Y CB 1.067 39.600 38.460 0.122 0.000 1.297 21 Y HN 0.533 nan 8.280 nan 0.000 0.484 22 D N -0.462 120.159 120.400 0.369 0.000 2.240 22 D HA -0.047 4.593 4.640 0.000 0.000 0.206 22 D C -0.817 175.825 176.300 0.571 0.000 0.963 22 D CA 1.559 55.788 54.000 0.380 0.000 0.863 22 D CB 0.494 41.440 40.800 0.242 0.000 0.973 22 D HN 0.253 nan 8.370 nan 0.000 0.501 23 Y N 0.486 120.949 120.300 0.272 0.000 2.401 23 Y HA 0.422 4.972 4.550 0.000 0.000 0.330 23 Y C -1.620 174.350 175.900 0.116 0.000 1.071 23 Y CA -0.975 57.284 58.100 0.265 0.000 1.049 23 Y CB 1.048 39.590 38.460 0.137 0.000 1.239 23 Y HN -0.269 nan 8.280 nan 0.000 0.437 24 L N 6.795 128.022 121.223 0.006 0.000 2.325 24 L HA 0.670 5.010 4.340 0.000 0.000 0.281 24 L C -1.231 175.431 176.870 -0.346 0.000 1.004 24 L CA -0.993 53.736 54.840 -0.184 0.000 0.823 24 L CB 1.411 43.448 42.059 -0.038 0.000 1.236 24 L HN 0.442 nan 8.230 nan 0.000 0.415 25 V N 5.884 125.558 119.914 -0.401 0.000 2.398 25 V HA 0.398 4.518 4.120 0.000 0.000 0.286 25 V C 0.155 176.105 176.094 -0.240 0.000 1.026 25 V CA -0.403 61.684 62.300 -0.355 0.000 0.868 25 V CB 1.850 33.458 31.823 -0.359 0.000 0.982 25 V HN 0.512 nan 8.190 nan 0.000 0.443 26 I N 4.704 125.169 120.570 -0.176 0.000 2.306 26 I HA 0.708 4.878 4.170 0.000 0.000 0.288 26 I C 0.675 176.725 176.117 -0.112 0.000 1.036 26 I CA -0.060 61.139 61.300 -0.168 0.000 1.221 26 I CB 1.127 39.019 38.000 -0.179 0.000 1.385 26 I HN 0.858 nan 8.210 nan 0.000 0.472 27 G N 3.565 112.297 108.800 -0.113 0.000 3.400 27 G HA2 0.031 3.991 3.960 0.000 0.000 0.679 27 G HA3 0.031 3.991 3.960 0.000 0.000 0.679 27 G C -0.081 174.772 174.900 -0.078 0.000 1.239 27 G CA -0.582 44.476 45.100 -0.070 0.000 1.049 27 G HN 0.931 nan 8.290 nan 0.000 0.539 28 G N 0.718 109.474 108.800 -0.073 0.000 3.882 28 G HA2 0.665 4.625 3.960 0.000 0.000 0.283 28 G HA3 0.665 4.625 3.960 0.000 0.000 0.283 28 G C 0.815 175.654 174.900 -0.101 0.000 1.283 28 G CA 0.872 45.921 45.100 -0.085 0.000 1.402 28 G HN 1.219 nan 8.290 nan 0.000 0.618 29 G N -0.065 108.682 108.800 -0.087 0.000 2.857 29 G HA2 0.403 4.363 3.960 0.000 0.000 0.217 29 G HA3 0.403 4.363 3.960 0.000 0.000 0.217 29 G C 1.205 176.040 174.900 -0.110 0.000 1.357 29 G CA 0.349 45.385 45.100 -0.107 0.000 1.033 29 G HN 0.165 nan 8.290 nan 0.000 0.571 30 S N -0.179 115.466 115.700 -0.091 0.000 2.369 30 S HA -0.162 4.308 4.470 0.000 0.000 0.225 30 S C 2.451 177.038 174.600 -0.022 0.000 1.043 30 S CA 1.959 60.121 58.200 -0.062 0.000 1.074 30 S CB -0.819 62.363 63.200 -0.031 0.000 0.962 30 S HN 0.797 nan 8.310 nan 0.000 0.433 31 G N 0.665 109.466 108.800 0.001 0.000 2.403 31 G HA2 0.064 4.024 3.960 0.000 0.000 0.216 31 G HA3 0.064 4.024 3.960 0.000 0.000 0.216 31 G C 1.405 176.319 174.900 0.023 0.000 1.154 31 G CA 0.864 45.980 45.100 0.026 0.000 0.784 31 G HN 0.570 nan 8.290 nan 0.000 0.538 32 G N 1.033 109.830 108.800 -0.005 0.000 2.404 32 G HA2 -0.129 3.831 3.960 0.000 0.000 0.215 32 G HA3 -0.129 3.831 3.960 0.000 0.000 0.215 32 G C 1.793 176.678 174.900 -0.026 0.000 1.174 32 G CA 0.710 45.793 45.100 -0.028 0.000 0.780 32 G HN 0.395 nan 8.290 nan 0.000 0.537 33 L N 0.719 121.922 121.223 -0.033 0.000 2.017 33 L HA -0.085 4.255 4.340 0.000 0.000 0.208 33 L C 3.446 180.330 176.870 0.024 0.000 1.073 33 L CA 1.141 55.973 54.840 -0.013 0.000 0.745 33 L CB -0.602 41.442 42.059 -0.026 0.000 0.894 33 L HN 0.314 nan 8.230 nan 0.000 0.432 34 A N -0.824 122.015 122.820 0.032 0.000 1.908 34 A HA -0.246 4.075 4.320 0.000 0.000 0.218 34 A C 2.562 180.185 177.584 0.064 0.000 1.181 34 A CA 2.260 54.327 52.037 0.050 0.000 0.627 34 A CB -0.690 18.338 19.000 0.046 0.000 0.818 34 A HN 0.363 nan 8.150 nan 0.000 0.445 35 S N -0.872 114.881 115.700 0.088 0.000 2.371 35 S HA 0.045 4.515 4.470 0.000 0.000 0.224 35 S C 2.207 176.941 174.600 0.222 0.000 1.029 35 S CA 1.347 59.646 58.200 0.164 0.000 0.978 35 S CB -0.436 62.898 63.200 0.224 0.000 0.833 35 S HN 0.780 nan 8.310 nan 0.000 0.466 36 A N 1.689 124.599 122.820 0.149 0.000 1.902 36 A HA -0.070 4.250 4.320 0.000 0.000 0.217 36 A C 2.195 179.810 177.584 0.052 0.000 1.181 36 A CA 1.379 53.488 52.037 0.120 0.000 0.623 36 A CB -0.556 18.444 19.000 -0.001 0.000 0.818 36 A HN 0.571 nan 8.150 nan 0.000 0.443 37 R N -1.286 119.231 120.500 0.027 0.000 2.081 37 R HA -0.112 4.228 4.340 0.000 0.000 0.235 37 R C 2.452 178.738 176.300 -0.022 0.000 1.131 37 R CA 1.573 57.673 56.100 0.000 0.000 0.960 37 R CB -0.249 30.058 30.300 0.012 0.000 0.856 37 R HN 0.417 nan 8.270 nan 0.000 0.436 38 R N 1.049 121.538 120.500 -0.017 0.000 2.092 38 R HA 0.004 4.344 4.340 0.000 0.000 0.231 38 R C 1.952 178.162 176.300 -0.151 0.000 1.119 38 R CA 1.628 57.685 56.100 -0.071 0.000 0.970 38 R CB -0.570 29.695 30.300 -0.058 0.000 0.864 38 R HN 0.226 nan 8.270 nan 0.000 0.440 39 A N 0.346 123.080 122.820 -0.143 0.000 1.877 39 A HA -0.056 4.264 4.320 0.000 0.000 0.216 39 A C 2.377 179.750 177.584 -0.351 0.000 1.186 39 A CA 1.819 53.652 52.037 -0.341 0.000 0.620 39 A CB -1.122 17.609 19.000 -0.448 0.000 0.822 39 A HN 0.461 nan 8.150 nan 0.000 0.443 40 A N -0.198 122.510 122.820 -0.187 0.000 1.908 40 A HA -0.202 4.119 4.320 0.000 0.000 0.218 40 A C 1.888 179.417 177.584 -0.092 0.000 1.181 40 A CA 1.698 53.663 52.037 -0.121 0.000 0.627 40 A CB -0.596 18.375 19.000 -0.047 0.000 0.818 40 A HN 0.648 nan 8.150 nan 0.000 0.445 41 E N -0.343 119.806 120.200 -0.085 0.000 2.160 41 E HA -0.132 4.218 4.350 0.000 0.000 0.195 41 E C 1.445 178.006 176.600 -0.065 0.000 0.991 41 E CA 0.963 57.330 56.400 -0.056 0.000 0.810 41 E CB -0.250 29.421 29.700 -0.050 0.000 0.742 41 E HN 0.641 nan 8.360 nan 0.000 0.466 42 L N -0.724 120.427 121.223 -0.119 0.000 2.599 42 L HA 0.123 4.463 4.340 0.000 0.000 0.230 42 L C 1.425 178.248 176.870 -0.078 0.000 1.141 42 L CA 0.426 55.208 54.840 -0.098 0.000 0.877 42 L CB 0.196 42.177 42.059 -0.130 0.000 1.009 42 L HN 0.315 nan 8.230 nan 0.000 0.447 43 G N -0.414 108.328 108.800 -0.098 0.000 2.201 43 G HA2 -0.217 3.743 3.960 0.000 0.000 0.212 43 G HA3 -0.217 3.743 3.960 0.000 0.000 0.212 43 G C 0.384 175.215 174.900 -0.115 0.000 0.994 43 G CA -0.159 44.902 45.100 -0.065 0.000 0.644 43 G HN 0.428 nan 8.290 nan 0.000 0.508 44 A N 0.086 122.732 122.820 -0.290 0.000 2.440 44 A HA 0.715 5.035 4.320 0.000 0.000 0.251 44 A C 0.624 178.117 177.584 -0.152 0.000 1.089 44 A CA 0.413 52.226 52.037 -0.374 0.000 0.779 44 A CB 0.386 18.732 19.000 -1.090 0.000 1.022 44 A HN 0.895 nan 8.150 nan 0.000 0.492 45 R N 1.921 122.410 120.500 -0.019 0.000 2.220 45 R HA 0.535 4.875 4.340 0.000 0.000 0.340 45 R C -0.254 176.159 176.300 0.187 0.000 1.076 45 R CA 0.741 56.903 56.100 0.103 0.000 0.920 45 R CB -0.129 30.250 30.300 0.132 0.000 1.062 45 R HN 0.854 nan 8.270 nan 0.000 0.469 46 A N 2.832 125.721 122.820 0.116 0.000 2.356 46 A HA 0.895 5.215 4.320 0.000 0.000 0.323 46 A C -1.140 176.359 177.584 -0.141 0.000 1.119 46 A CA -0.351 51.710 52.037 0.040 0.000 0.790 46 A CB 1.723 20.747 19.000 0.041 0.000 1.273 46 A HN 0.835 nan 8.150 nan 0.000 0.452 47 A N 0.535 123.116 122.820 -0.399 0.000 2.475 47 A HA 0.707 5.027 4.320 0.000 0.000 0.301 47 A C -1.245 176.100 177.584 -0.398 0.000 1.059 47 A CA -0.453 51.256 52.037 -0.547 0.000 0.710 47 A CB 1.527 19.824 19.000 -1.170 0.000 1.288 47 A HN 1.213 nan 8.150 nan 0.000 0.408 48 V N 2.043 121.774 119.914 -0.304 0.000 2.495 48 V HA 0.465 4.585 4.120 0.000 0.000 0.298 48 V C -0.385 175.556 176.094 -0.256 0.000 1.031 48 V CA -0.513 61.639 62.300 -0.248 0.000 0.871 48 V CB 1.724 33.449 31.823 -0.163 0.000 0.988 48 V HN 0.692 nan 8.190 nan 0.000 0.432 49 V N 3.986 123.746 119.914 -0.257 0.000 2.394 49 V HA 0.652 4.772 4.120 0.000 0.000 0.282 49 V C -0.302 175.689 176.094 -0.171 0.000 1.031 49 V CA -0.424 61.728 62.300 -0.246 0.000 0.881 49 V CB 1.524 33.176 31.823 -0.285 0.000 0.982 49 V HN 0.953 nan 8.190 nan 0.000 0.451 50 E N 2.773 122.890 120.200 -0.138 0.000 2.291 50 E HA 0.407 4.758 4.350 0.000 0.000 0.276 50 E C 0.328 176.874 176.600 -0.090 0.000 0.896 50 E CA -0.081 56.266 56.400 -0.088 0.000 0.774 50 E CB 2.135 31.794 29.700 -0.069 0.000 1.227 50 E HN 0.551 nan 8.360 nan 0.000 0.413 51 S N 3.493 119.146 115.700 -0.078 0.000 2.524 51 S HA 0.170 4.640 4.470 0.000 0.000 0.216 51 S C 0.783 175.107 174.600 -0.459 0.000 0.987 51 S CA 0.239 58.313 58.200 -0.210 0.000 0.909 51 S CB -0.133 62.969 63.200 -0.163 0.000 0.781 51 S HN 0.586 nan 8.310 nan 0.000 0.521 52 H N 1.259 120.323 119.070 -0.010 0.000 5.104 52 H HA 0.520 5.076 4.556 0.000 0.000 0.167 52 H C -0.516 174.800 175.328 -0.020 0.000 1.341 52 H CA -0.578 55.465 56.048 -0.008 0.000 0.513 52 H CB 0.046 29.807 29.762 -0.001 0.000 1.576 52 H HN 0.128 nan 8.280 nan 0.000 0.320 53 K N 1.384 121.863 120.400 0.132 0.000 2.221 53 K HA 0.387 4.707 4.320 0.000 0.000 0.258 53 K C -0.469 176.126 176.600 -0.009 0.000 0.944 53 K CA -0.450 55.860 56.287 0.038 0.000 0.823 53 K CB 2.048 34.565 32.500 0.028 0.000 1.113 53 K HN 0.137 nan 8.250 nan 0.000 0.431 54 L N 1.205 122.410 121.223 -0.031 0.000 2.483 54 L HA 0.041 4.381 4.340 0.000 0.000 0.276 54 L C 1.420 178.185 176.870 -0.174 0.000 1.213 54 L CA 1.027 55.819 54.840 -0.080 0.000 0.843 54 L CB 0.226 42.264 42.059 -0.035 0.000 1.107 54 L HN 1.105 nan 8.230 nan 0.000 0.487 55 G N 0.798 109.408 108.800 -0.317 0.000 2.259 55 G HA2 -0.074 3.886 3.960 0.000 0.000 0.217 55 G HA3 -0.074 3.886 3.960 0.000 0.000 0.217 55 G C 0.684 175.417 174.900 -0.277 0.000 1.001 55 G CA -0.142 44.659 45.100 -0.498 0.000 0.627 55 G HN 1.444 nan 8.290 nan 0.000 0.501 56 G N -0.674 108.029 108.800 -0.163 0.000 2.564 56 G HA2 -0.122 3.838 3.960 0.000 0.000 0.273 56 G HA3 -0.122 3.838 3.960 0.000 0.000 0.273 56 G C 1.072 175.922 174.900 -0.083 0.000 1.242 56 G CA 1.549 46.590 45.100 -0.097 0.000 0.951 56 G HN 1.350 nan 8.290 nan 0.000 0.564 57 T N -0.390 114.132 114.554 -0.052 0.000 2.684 57 T HA -0.210 4.140 4.350 0.000 0.000 0.267 57 T C 2.452 177.125 174.700 -0.045 0.000 1.036 57 T CA 2.547 64.630 62.100 -0.029 0.000 1.148 57 T CB -0.716 68.159 68.868 0.011 0.000 0.863 57 T HN 0.968 nan 8.240 nan 0.000 0.436 58 c N 1.162 119.731 118.600 -0.052 0.000 2.413 58 c HA -0.080 4.490 4.570 0.000 0.000 0.277 58 c C 2.772 176.798 174.090 -0.107 0.000 1.228 58 c CA 0.845 57.141 56.329 -0.056 0.000 1.731 58 c CB -1.212 41.269 42.510 -0.048 0.000 2.042 58 c HN 0.391 nan 8.230 nan 0.000 0.468 59 V N 1.885 121.713 119.914 -0.143 0.000 2.379 59 V HA -0.143 3.977 4.120 0.000 0.000 0.245 59 V C 2.329 178.316 176.094 -0.179 0.000 1.044 59 V CA 2.324 64.526 62.300 -0.163 0.000 1.036 59 V CB -0.720 30.987 31.823 -0.194 0.000 0.664 59 V HN 0.584 nan 8.190 nan 0.000 0.453 60 N N 0.543 119.150 118.700 -0.156 0.000 2.251 60 N HA -0.029 4.711 4.740 0.000 0.000 0.181 60 N C 1.067 176.452 175.510 -0.208 0.000 1.019 60 N CA 1.845 54.809 53.050 -0.144 0.000 0.862 60 N CB 0.535 38.973 38.487 -0.081 0.000 0.992 60 N HN 0.553 nan 8.380 nan 0.000 0.429 61 V N -3.362 116.438 119.914 -0.190 0.000 2.947 61 V HA 0.695 4.816 4.120 0.000 0.000 0.381 61 V C 0.274 176.320 176.094 -0.080 0.000 1.376 61 V CA -0.306 61.876 62.300 -0.196 0.000 1.292 61 V CB 0.580 32.489 31.823 0.144 0.000 1.295 61 V HN 0.166 nan 8.190 nan 0.000 0.617 62 G N -0.196 108.490 108.800 -0.191 0.000 3.354 62 G HA2 0.253 4.213 3.960 0.000 0.000 0.174 62 G HA3 0.253 4.213 3.960 0.000 0.000 0.174 62 G C 0.910 175.798 174.900 -0.020 0.000 1.140 62 G CA 0.629 45.732 45.100 0.004 0.000 0.897 62 G HN 0.314 nan 8.290 nan 0.000 0.685 63 c N 0.227 118.836 118.600 0.015 0.000 2.349 63 c HA -0.100 4.470 4.570 0.000 0.000 0.274 63 c C 2.856 176.919 174.090 -0.046 0.000 1.178 63 c CA 1.151 57.484 56.329 0.008 0.000 1.769 63 c CB -1.608 40.910 42.510 0.013 0.000 2.047 63 c HN 0.286 nan 8.230 nan 0.000 0.448 64 V N 3.151 123.019 119.914 -0.076 0.000 2.223 64 V HA -0.153 3.968 4.120 0.000 0.000 0.244 64 V C 0.358 176.418 176.094 -0.057 0.000 1.045 64 V CA 2.744 65.005 62.300 -0.064 0.000 1.000 64 V CB -2.191 29.562 31.823 -0.117 0.000 0.635 64 V HN 0.390 nan 8.190 nan 0.000 0.445 65 P HA -0.215 nan 4.420 nan 0.000 0.218 65 P C 1.586 178.938 177.300 0.087 0.000 1.148 65 P CA 1.551 64.537 63.100 -0.191 0.000 0.822 65 P CB -0.107 31.178 31.700 -0.692 0.000 0.784 66 K N 1.089 121.561 120.400 0.120 0.000 2.026 66 K HA -0.178 4.142 4.320 0.000 0.000 0.208 66 K C 2.133 178.844 176.600 0.186 0.000 1.048 66 K CA 1.688 58.183 56.287 0.347 0.000 0.929 66 K CB -0.466 32.205 32.500 0.285 0.000 0.713 66 K HN -0.113 nan 8.250 nan 0.000 0.439 67 K N 0.734 121.146 120.400 0.020 0.000 2.057 67 K HA -0.055 4.265 4.320 0.000 0.000 0.207 67 K C 2.007 178.676 176.600 0.115 0.000 1.049 67 K CA 1.253 57.500 56.287 -0.067 0.000 0.931 67 K CB -0.327 32.053 32.500 -0.201 0.000 0.714 67 K HN 0.000 nan 8.250 nan 0.000 0.440 68 V N 0.739 120.729 119.914 0.126 0.000 2.343 68 V HA -0.270 3.850 4.120 0.000 0.000 0.247 68 V C 2.320 178.499 176.094 0.142 0.000 1.051 68 V CA 1.720 64.097 62.300 0.128 0.000 1.036 68 V CB -0.480 31.420 31.823 0.128 0.000 0.654 68 V HN 0.342 nan 8.190 nan 0.000 0.451 69 M N -1.627 118.088 119.600 0.193 0.000 2.229 69 M HA -0.154 4.326 4.480 0.000 0.000 0.264 69 M C 1.946 178.382 176.300 0.226 0.000 1.063 69 M CA 1.387 56.801 55.300 0.189 0.000 1.114 69 M CB -1.294 31.499 32.600 0.322 0.000 1.387 69 M HN 0.628 nan 8.290 nan 0.000 0.420 70 W N 2.287 123.634 121.300 0.079 0.000 2.381 70 W HA -0.143 4.517 4.660 0.000 0.000 0.301 70 W C 1.932 178.506 176.519 0.092 0.000 1.205 70 W CA 1.390 58.787 57.345 0.086 0.000 1.285 70 W CB -0.383 29.071 29.460 -0.009 0.000 1.133 70 W HN 0.248 nan 8.180 nan 0.000 0.521 71 N N -0.387 118.410 118.700 0.162 0.000 2.223 71 N HA -0.151 4.589 4.740 0.000 0.000 0.185 71 N C 1.560 177.058 175.510 -0.022 0.000 1.016 71 N CA 2.255 55.304 53.050 -0.001 0.000 0.863 71 N CB -0.910 37.633 38.487 0.094 0.000 0.983 71 N HN 0.173 nan 8.380 nan 0.000 0.429 72 T N 0.758 115.328 114.554 0.027 0.000 2.777 72 T HA -0.002 4.348 4.350 0.000 0.000 0.266 72 T C 2.011 176.644 174.700 -0.111 0.000 1.040 72 T CA 1.252 63.357 62.100 0.008 0.000 1.141 72 T CB -0.299 68.550 68.868 -0.032 0.000 0.868 72 T HN 0.311 nan 8.240 nan 0.000 0.444 73 A N 1.093 123.825 122.820 -0.146 0.000 1.933 73 A HA -0.030 4.290 4.320 0.000 0.000 0.218 73 A C 2.571 179.972 177.584 -0.306 0.000 1.175 73 A CA 1.167 53.072 52.037 -0.220 0.000 0.628 73 A CB -1.035 17.915 19.000 -0.083 0.000 0.814 73 A HN 0.345 nan 8.150 nan 0.000 0.444 74 V N -0.293 119.410 119.914 -0.352 0.000 2.392 74 V HA -0.273 3.847 4.120 0.000 0.000 0.249 74 V C 2.452 178.446 176.094 -0.166 0.000 1.059 74 V CA 2.106 64.177 62.300 -0.381 0.000 1.051 74 V CB -1.026 30.451 31.823 -0.577 0.000 0.658 74 V HN 0.642 nan 8.190 nan 0.000 0.455 75 H N -0.602 118.396 119.070 -0.120 0.000 2.353 75 H HA -0.132 4.424 4.556 0.000 0.000 0.300 75 H C 2.697 177.939 175.328 -0.143 0.000 1.090 75 H CA 1.933 57.945 56.048 -0.060 0.000 1.327 75 H CB -0.294 29.423 29.762 -0.074 0.000 1.383 75 H HN 0.434 nan 8.280 nan 0.000 0.508 76 S N 0.218 115.851 115.700 -0.111 0.000 2.370 76 S HA -0.162 4.308 4.470 0.000 0.000 0.226 76 S C 2.017 176.381 174.600 -0.393 0.000 1.033 76 S CA 1.511 59.556 58.200 -0.259 0.000 1.011 76 S CB 0.022 63.043 63.200 -0.299 0.000 0.852 76 S HN 0.479 nan 8.310 nan 0.000 0.457 77 E N -0.640 119.360 120.200 -0.333 0.000 2.072 77 E HA -0.043 4.307 4.350 0.000 0.000 0.190 77 E C 1.660 178.107 176.600 -0.256 0.000 0.982 77 E CA 1.161 57.383 56.400 -0.297 0.000 0.803 77 E CB -0.192 29.265 29.700 -0.405 0.000 0.755 77 E HN 0.539 nan 8.360 nan 0.000 0.453 78 F N 0.389 120.240 119.950 -0.164 0.000 2.365 78 F HA -0.056 4.471 4.527 0.000 0.000 0.300 78 F C 2.141 177.809 175.800 -0.220 0.000 1.090 78 F CA 0.867 58.812 58.000 -0.091 0.000 1.408 78 F CB -0.164 38.771 39.000 -0.108 0.000 1.060 78 F HN 0.016 nan 8.300 nan 0.000 0.534 79 M N -1.018 118.412 119.600 -0.285 0.000 2.279 79 M HA -0.221 4.260 4.480 0.000 0.000 0.264 79 M C 2.030 178.034 176.300 -0.492 0.000 1.062 79 M CA 1.168 56.026 55.300 -0.738 0.000 1.099 79 M CB -0.383 31.904 32.600 -0.522 0.000 1.394 79 M HN 0.115 nan 8.290 nan 0.000 0.426 80 H N -0.177 118.826 119.070 -0.112 0.000 2.489 80 H HA -0.077 4.479 4.556 0.000 0.000 0.293 80 H C 0.952 176.330 175.328 0.084 0.000 1.066 80 H CA 1.083 57.122 56.048 -0.015 0.000 1.305 80 H CB -0.246 29.515 29.762 -0.002 0.000 1.386 80 H HN 0.410 nan 8.280 nan 0.000 0.551 81 D N -0.947 119.612 120.400 0.265 0.000 2.349 81 D HA 0.002 4.642 4.640 0.000 0.000 0.214 81 D C 1.631 178.240 176.300 0.515 0.000 1.063 81 D CA 0.041 54.292 54.000 0.417 0.000 0.847 81 D CB -0.207 40.968 40.800 0.624 0.000 0.933 81 D HN 0.568 nan 8.370 nan 0.000 0.513 82 H N 1.072 120.328 119.070 0.310 0.000 2.289 82 H HA -0.121 4.435 4.556 0.000 0.000 0.296 82 H C 2.110 177.680 175.328 0.404 0.000 1.091 82 H CA 1.271 57.525 56.048 0.343 0.000 1.274 82 H CB 0.304 30.187 29.762 0.202 0.000 1.364 82 H HN 0.136 nan 8.280 nan 0.000 0.490 83 A N 1.004 124.064 122.820 0.400 0.000 1.933 83 A HA -0.190 4.130 4.320 0.000 0.000 0.218 83 A C 1.825 179.524 177.584 0.191 0.000 1.175 83 A CA 1.849 54.039 52.037 0.257 0.000 0.628 83 A CB -0.213 18.894 19.000 0.179 0.000 0.814 83 A HN 0.358 nan 8.150 nan 0.000 0.444 84 D N -1.586 118.932 120.400 0.196 0.000 2.178 84 D HA -0.115 4.525 4.640 0.000 0.000 0.201 84 D C 0.901 177.184 176.300 -0.028 0.000 0.980 84 D CA 1.144 55.178 54.000 0.057 0.000 0.842 84 D CB -0.231 40.583 40.800 0.024 0.000 0.948 84 D HN 0.627 nan 8.370 nan 0.000 0.472 85 Y N -0.326 120.072 120.300 0.163 0.000 2.461 85 Y HA 0.265 4.815 4.550 0.000 0.000 0.277 85 Y C 1.713 177.564 175.900 -0.081 0.000 1.182 85 Y CA 0.394 58.574 58.100 0.132 0.000 1.276 85 Y CB 0.655 39.323 38.460 0.347 0.000 1.087 85 Y HN 0.039 nan 8.280 nan 0.000 0.519 86 G N -0.885 107.926 108.800 0.018 0.000 2.157 86 G HA2 -0.271 3.689 3.960 0.000 0.000 0.239 86 G HA3 -0.271 3.689 3.960 0.000 0.000 0.239 86 G C -0.096 174.630 174.900 -0.290 0.000 0.982 86 G CA -0.409 44.580 45.100 -0.184 0.000 0.650 86 G HN 0.173 nan 8.290 nan 0.000 0.527 87 F N 2.002 122.009 119.950 0.095 0.000 2.399 87 F HA 0.608 5.135 4.527 0.000 0.000 0.328 87 F C -1.107 174.743 175.800 0.083 0.000 1.084 87 F CA -2.255 55.776 58.000 0.053 0.000 1.053 87 F CB 1.154 40.137 39.000 -0.028 0.000 1.209 87 F HN -0.119 nan 8.300 nan 0.000 0.502 88 P HA 0.078 nan 4.420 nan 0.000 0.274 88 P C -0.753 176.675 177.300 0.213 0.000 1.231 88 P CA -0.273 62.936 63.100 0.181 0.000 0.790 88 P CB 1.058 32.836 31.700 0.130 0.000 0.951 89 S N 0.869 116.670 115.700 0.169 0.000 2.548 89 S HA 0.178 4.648 4.470 0.000 0.000 0.277 89 S C 0.164 174.842 174.600 0.131 0.000 1.315 89 S CA -0.405 57.891 58.200 0.161 0.000 1.050 89 S CB -0.273 62.999 63.200 0.120 0.000 0.918 89 S HN 0.434 nan 8.310 nan 0.000 0.497 90 C N 4.074 123.454 119.300 0.133 0.000 2.394 90 C HA 0.215 4.676 4.460 0.000 0.000 0.362 90 C C 1.884 176.915 174.990 0.069 0.000 1.268 90 C CA -0.878 58.199 59.018 0.097 0.000 1.828 90 C CB -0.807 26.993 27.740 0.100 0.000 2.442 90 C HN 1.077 nan 8.230 nan 0.000 0.549 91 E N 3.217 123.453 120.200 0.059 0.000 2.063 91 E HA -0.067 4.284 4.350 0.000 0.000 0.221 91 E C 1.253 177.882 176.600 0.048 0.000 1.052 91 E CA 1.913 58.342 56.400 0.050 0.000 0.891 91 E CB -0.169 29.555 29.700 0.041 0.000 0.792 91 E HN 0.829 nan 8.360 nan 0.000 0.482 92 G N 0.620 109.449 108.800 0.048 0.000 3.504 92 G HA2 0.071 4.032 3.960 0.000 0.000 0.157 92 G HA3 0.071 4.032 3.960 0.000 0.000 0.157 92 G C -1.138 173.806 174.900 0.073 0.000 1.245 92 G CA -0.331 44.802 45.100 0.055 0.000 1.410 92 G HN 0.355 nan 8.290 nan 0.000 0.731 93 K N 0.828 121.270 120.400 0.071 0.000 2.441 93 K HA 0.111 4.431 4.320 0.000 0.000 0.273 93 K C -0.597 176.077 176.600 0.124 0.000 1.090 93 K CA -0.086 56.255 56.287 0.090 0.000 1.158 93 K CB 0.111 32.640 32.500 0.048 0.000 0.847 93 K HN 0.194 nan 8.250 nan 0.000 0.483 94 F N 3.643 123.612 119.950 0.030 0.000 2.412 94 F HA 0.250 4.777 4.527 0.000 0.000 0.348 94 F C -0.337 175.503 175.800 0.067 0.000 1.102 94 F CA -1.036 56.987 58.000 0.039 0.000 1.196 94 F CB 0.909 39.943 39.000 0.055 0.000 1.144 94 F HN 0.710 nan 8.300 nan 0.000 0.541 95 N N 7.168 125.361 118.700 -0.845 0.000 2.558 95 N HA 0.024 4.764 4.740 0.000 0.000 0.242 95 N C 0.594 175.485 175.510 -1.032 0.000 0.979 95 N CA -0.574 52.064 53.050 -0.686 0.000 0.931 95 N CB 0.113 38.411 38.487 -0.315 0.000 1.122 95 N HN 0.923 nan 8.380 nan 0.000 0.508 96 W N 5.512 126.216 121.300 -0.994 0.000 2.338 96 W HA -0.175 4.485 4.660 0.000 0.000 0.304 96 W C 1.446 177.818 176.519 -0.246 0.000 1.212 96 W CA 1.520 58.551 57.345 -0.524 0.000 1.264 96 W CB 0.171 29.553 29.460 -0.129 0.000 1.142 96 W HN 0.691 nan 8.180 nan 0.000 0.512 97 R N 0.130 120.676 120.500 0.077 0.000 2.189 97 R HA -0.090 4.250 4.340 0.000 0.000 0.223 97 R C 1.803 178.079 176.300 -0.040 0.000 1.092 97 R CA 1.472 57.609 56.100 0.062 0.000 0.989 97 R CB -1.076 29.268 30.300 0.073 0.000 0.876 97 R HN 0.067 nan 8.270 nan 0.000 0.457 98 V N 1.488 121.338 119.914 -0.107 0.000 2.307 98 V HA -0.211 3.909 4.120 0.000 0.000 0.245 98 V C 2.234 178.279 176.094 -0.083 0.000 1.045 98 V CA 1.688 63.933 62.300 -0.091 0.000 1.024 98 V CB -0.386 31.369 31.823 -0.114 0.000 0.651 98 V HN 0.295 nan 8.190 nan 0.000 0.449 99 I N -0.393 120.107 120.570 -0.118 0.000 2.500 99 I HA -0.090 4.081 4.170 0.000 0.000 0.252 99 I C 2.330 178.377 176.117 -0.117 0.000 1.142 99 I CA 1.474 62.720 61.300 -0.090 0.000 1.451 99 I CB -0.541 37.435 38.000 -0.040 0.000 1.093 99 I HN 0.123 nan 8.210 nan 0.000 0.430 100 K N 0.706 120.998 120.400 -0.180 0.000 2.057 100 K HA -0.216 4.104 4.320 0.000 0.000 0.207 100 K C 1.837 178.428 176.600 -0.014 0.000 1.049 100 K CA 1.833 58.047 56.287 -0.121 0.000 0.931 100 K CB -0.063 32.414 32.500 -0.040 0.000 0.714 100 K HN 0.474 nan 8.250 nan 0.000 0.440 101 E N 0.216 120.411 120.200 -0.007 0.000 2.107 101 E HA -0.127 4.223 4.350 0.000 0.000 0.191 101 E C 1.982 178.593 176.600 0.018 0.000 0.982 101 E CA 1.010 57.419 56.400 0.014 0.000 0.809 101 E CB 0.116 29.822 29.700 0.010 0.000 0.756 101 E HN 0.279 nan 8.360 nan 0.000 0.459 102 K N 0.621 121.025 120.400 0.006 0.000 2.155 102 K HA -0.073 4.247 4.320 0.000 0.000 0.203 102 K C 2.205 178.838 176.600 0.055 0.000 1.052 102 K CA 0.526 56.824 56.287 0.017 0.000 0.948 102 K CB -0.009 32.486 32.500 -0.008 0.000 0.728 102 K HN -0.021 nan 8.250 nan 0.000 0.448 103 R N 1.355 121.886 120.500 0.050 0.000 2.066 103 R HA -0.146 4.195 4.340 0.000 0.000 0.232 103 R C 1.325 177.685 176.300 0.101 0.000 1.131 103 R CA 1.809 57.966 56.100 0.095 0.000 0.955 103 R CB -0.035 30.299 30.300 0.057 0.000 0.851 103 R HN 0.078 nan 8.270 nan 0.000 0.432 104 D N 0.417 120.855 120.400 0.064 0.000 2.123 104 D HA -0.139 4.501 4.640 0.000 0.000 0.196 104 D C 1.726 178.059 176.300 0.055 0.000 0.992 104 D CA 1.570 55.600 54.000 0.050 0.000 0.833 104 D CB -0.295 40.534 40.800 0.048 0.000 0.954 104 D HN 0.381 nan 8.370 nan 0.000 0.455 105 A N 0.136 122.998 122.820 0.070 0.000 1.908 105 A HA -0.239 4.082 4.320 0.000 0.000 0.218 105 A C 2.191 179.851 177.584 0.126 0.000 1.181 105 A CA 1.312 53.395 52.037 0.076 0.000 0.627 105 A CB -1.005 18.033 19.000 0.065 0.000 0.818 105 A HN 0.328 nan 8.150 nan 0.000 0.445 106 Y N 0.609 120.908 120.300 -0.003 0.000 2.242 106 Y HA -0.119 4.431 4.550 0.000 0.000 0.291 106 Y C 2.323 178.225 175.900 0.003 0.000 1.137 106 Y CA 1.389 59.488 58.100 -0.002 0.000 1.181 106 Y CB -0.534 37.923 38.460 -0.005 0.000 0.989 106 Y HN 0.064 nan 8.280 nan 0.000 0.527 107 V N -0.729 119.130 119.914 -0.091 0.000 2.427 107 V HA -0.264 3.856 4.120 0.000 0.000 0.248 107 V C 2.442 178.480 176.094 -0.093 0.000 1.051 107 V CA 2.034 64.224 62.300 -0.183 0.000 1.048 107 V CB -0.859 30.895 31.823 -0.115 0.000 0.666 107 V HN 0.371 nan 8.190 nan 0.000 0.456 108 S N -0.409 115.276 115.700 -0.025 0.000 2.368 108 S HA -0.185 4.285 4.470 0.000 0.000 0.225 108 S C 2.082 176.682 174.600 0.000 0.000 1.030 108 S CA 1.376 59.575 58.200 -0.002 0.000 0.999 108 S CB -0.294 62.917 63.200 0.018 0.000 0.844 108 S HN 0.540 nan 8.310 nan 0.000 0.459 109 R N 0.706 121.212 120.500 0.010 0.000 2.081 109 R HA 0.010 4.350 4.340 0.000 0.000 0.235 109 R C 2.234 178.518 176.300 -0.026 0.000 1.131 109 R CA 1.066 57.178 56.100 0.020 0.000 0.960 109 R CB -0.571 29.788 30.300 0.098 0.000 0.856 109 R HN 0.374 nan 8.270 nan 0.000 0.436 110 L N 0.508 121.677 121.223 -0.091 0.000 2.056 110 L HA -0.169 4.172 4.340 0.000 0.000 0.207 110 L C 1.794 178.726 176.870 0.104 0.000 1.078 110 L CA 1.482 56.285 54.840 -0.062 0.000 0.749 110 L CB -0.597 41.397 42.059 -0.108 0.000 0.901 110 L HN 0.281 nan 8.230 nan 0.000 0.433 111 N N 0.128 118.874 118.700 0.077 0.000 2.104 111 N HA -0.194 4.546 4.740 0.000 0.000 0.190 111 N C 1.902 177.464 175.510 0.086 0.000 1.024 111 N CA 1.174 54.288 53.050 0.107 0.000 0.853 111 N CB -0.195 38.314 38.487 0.036 0.000 1.008 111 N HN 0.330 nan 8.380 nan 0.000 0.424 112 A N 0.889 123.727 122.820 0.031 0.000 1.969 112 A HA -0.050 4.270 4.320 0.000 0.000 0.218 112 A C 2.107 179.680 177.584 -0.018 0.000 1.169 112 A CA 0.858 52.900 52.037 0.009 0.000 0.635 112 A CB -0.474 18.526 19.000 0.000 0.000 0.810 112 A HN 0.199 nan 8.150 nan 0.000 0.445 113 I N -1.966 118.566 120.570 -0.063 0.000 2.252 113 I HA -0.253 3.917 4.170 0.000 0.000 0.245 113 I C 2.298 178.294 176.117 -0.202 0.000 1.102 113 I CA 1.333 62.535 61.300 -0.164 0.000 1.385 113 I CB -0.378 37.462 38.000 -0.268 0.000 1.064 113 I HN 0.375 nan 8.210 nan 0.000 0.414 114 Y N 0.633 120.907 120.300 -0.044 0.000 2.242 114 Y HA -0.276 4.274 4.550 0.000 0.000 0.291 114 Y C 2.742 178.616 175.900 -0.044 0.000 1.137 114 Y CA 1.552 59.625 58.100 -0.045 0.000 1.181 114 Y CB -0.550 37.880 38.460 -0.049 0.000 0.989 114 Y HN 0.220 nan 8.280 nan 0.000 0.527 115 Q N 0.436 120.297 119.800 0.101 0.000 2.050 115 Q HA -0.231 4.109 4.340 0.000 0.000 0.202 115 Q C 2.256 178.259 176.000 0.005 0.000 0.980 115 Q CA 1.693 57.521 55.803 0.042 0.000 0.840 115 Q CB -0.335 28.418 28.738 0.025 0.000 0.898 115 Q HN 0.521 nan 8.270 nan 0.000 0.424 116 N N -0.166 118.525 118.700 -0.016 0.000 2.149 116 N HA -0.189 4.551 4.740 0.000 0.000 0.188 116 N C 1.242 176.720 175.510 -0.052 0.000 1.019 116 N CA 1.432 54.460 53.050 -0.037 0.000 0.857 116 N CB -0.136 38.322 38.487 -0.048 0.000 0.997 116 N HN 0.389 nan 8.380 nan 0.000 0.426 117 N N 0.282 118.949 118.700 -0.054 0.000 2.166 117 N HA -0.075 4.665 4.740 0.000 0.000 0.186 117 N C 1.859 177.341 175.510 -0.047 0.000 1.019 117 N CA 0.627 53.644 53.050 -0.056 0.000 0.856 117 N CB 0.084 38.540 38.487 -0.051 0.000 0.993 117 N HN 0.228 nan 8.380 nan 0.000 0.426 118 L N 0.495 121.705 121.223 -0.022 0.000 2.044 118 L HA -0.131 4.209 4.340 0.000 0.000 0.205 118 L C 2.845 179.677 176.870 -0.064 0.000 1.075 118 L CA 1.391 56.211 54.840 -0.032 0.000 0.747 118 L CB -1.156 40.894 42.059 -0.015 0.000 0.903 118 L HN 0.409 nan 8.230 nan 0.000 0.435 119 T N -2.384 112.137 114.554 -0.056 0.000 2.720 119 T HA -0.249 4.101 4.350 0.000 0.000 0.268 119 T C 1.816 176.426 174.700 -0.150 0.000 1.037 119 T CA 1.151 63.214 62.100 -0.062 0.000 1.144 119 T CB -0.310 68.539 68.868 -0.031 0.000 0.864 119 T HN 0.213 nan 8.240 nan 0.000 0.444 120 K N 0.971 121.273 120.400 -0.164 0.000 2.360 120 K HA 0.073 4.393 4.320 0.000 0.000 0.201 120 K C 2.099 178.420 176.600 -0.465 0.000 1.046 120 K CA 1.157 57.295 56.287 -0.248 0.000 0.945 120 K CB -0.059 32.354 32.500 -0.146 0.000 0.750 120 K HN 0.339 nan 8.250 nan 0.000 0.464 121 S N -0.580 114.900 115.700 -0.367 0.000 2.556 121 S HA 0.054 4.524 4.470 0.000 0.000 0.216 121 S C -0.507 173.904 174.600 -0.316 0.000 0.970 121 S CA -0.201 57.801 58.200 -0.330 0.000 0.912 121 S CB -0.016 63.107 63.200 -0.128 0.000 0.790 121 S HN 0.410 nan 8.310 nan 0.000 0.504 122 H N -0.390 118.679 119.070 -0.002 0.000 2.936 122 H HA -0.121 4.435 4.556 0.000 0.000 0.276 122 H C -0.398 174.936 175.328 0.010 0.000 1.216 122 H CA 0.422 56.474 56.048 0.007 0.000 1.132 122 H CB -2.219 27.549 29.762 0.010 0.000 1.303 122 H HN 0.373 nan 8.280 nan 0.000 0.370 123 I N 1.298 121.887 120.570 0.031 0.000 2.395 123 I HA 0.094 4.264 4.170 0.000 0.000 0.289 123 I C 0.914 177.029 176.117 -0.003 0.000 1.023 123 I CA -0.109 61.196 61.300 0.008 0.000 1.350 123 I CB 1.159 39.141 38.000 -0.031 0.000 1.409 123 I HN 0.249 nan 8.210 nan 0.000 0.507 124 E N 6.608 126.799 120.200 -0.015 0.000 2.313 124 E HA 0.367 4.717 4.350 0.000 0.000 0.276 124 E C -0.985 175.549 176.600 -0.111 0.000 1.031 124 E CA -0.344 56.040 56.400 -0.026 0.000 0.857 124 E CB 0.826 30.543 29.700 0.027 0.000 1.040 124 E HN 0.413 nan 8.360 nan 0.000 0.408 125 I N 6.127 126.648 120.570 -0.082 0.000 2.330 125 I HA 0.266 4.436 4.170 0.000 0.000 0.289 125 I C -0.408 175.636 176.117 -0.122 0.000 1.001 125 I CA -0.518 60.717 61.300 -0.108 0.000 1.193 125 I CB 0.971 38.931 38.000 -0.066 0.000 1.345 125 I HN 0.457 nan 8.210 nan 0.000 0.461 126 I N 6.468 126.921 120.570 -0.196 0.000 2.312 126 I HA 0.328 4.499 4.170 0.000 0.000 0.290 126 I C 0.116 176.134 176.117 -0.164 0.000 1.008 126 I CA -0.639 60.533 61.300 -0.212 0.000 1.226 126 I CB 0.860 38.599 38.000 -0.436 0.000 1.371 126 I HN 0.463 nan 8.210 nan 0.000 0.468 127 R N 4.241 124.681 120.500 -0.100 0.000 2.308 127 R HA 0.759 5.099 4.340 0.000 0.000 0.305 127 R C 0.180 176.435 176.300 -0.075 0.000 1.053 127 R CA 0.046 56.095 56.100 -0.085 0.000 0.957 127 R CB 1.290 31.555 30.300 -0.058 0.000 1.022 127 R HN 0.912 nan 8.270 nan 0.000 0.461 128 G N 0.728 109.475 108.800 -0.088 0.000 2.361 128 G HA2 -0.070 3.891 3.960 0.000 0.000 0.331 128 G HA3 -0.070 3.891 3.960 0.000 0.000 0.331 128 G C -1.887 172.984 174.900 -0.047 0.000 1.324 128 G CA -1.042 44.025 45.100 -0.056 0.000 0.984 128 G HN 0.728 nan 8.290 nan 0.000 0.586 129 H N 0.326 119.348 119.070 -0.080 0.000 2.604 129 H HA 0.743 5.299 4.556 0.000 0.000 0.306 129 H C 0.524 175.816 175.328 -0.060 0.000 1.075 129 H CA 0.592 56.603 56.048 -0.061 0.000 1.357 129 H CB 0.978 30.719 29.762 -0.035 0.000 1.426 129 H HN 0.956 nan 8.280 nan 0.000 0.470 130 A N 4.015 126.472 122.820 -0.605 0.000 2.316 130 A HA 0.756 5.077 4.320 0.000 0.000 0.284 130 A C -0.633 176.612 177.584 -0.565 0.000 1.115 130 A CA 0.001 51.758 52.037 -0.467 0.000 0.812 130 A CB 0.301 19.058 19.000 -0.406 0.000 1.064 130 A HN 0.965 nan 8.150 nan 0.000 0.489 131 A N 1.113 123.757 122.820 -0.295 0.000 2.517 131 A HA 0.666 4.987 4.320 0.000 0.000 0.297 131 A C -0.828 176.663 177.584 -0.155 0.000 1.050 131 A CA -0.593 51.358 52.037 -0.143 0.000 0.694 131 A CB 0.484 19.534 19.000 0.084 0.000 1.277 131 A HN 0.639 nan 8.150 nan 0.000 0.400 132 F N 1.393 121.354 119.950 0.019 0.000 2.490 132 F HA 0.436 4.963 4.527 0.000 0.000 0.336 132 F C 1.731 177.550 175.800 0.032 0.000 1.178 132 F CA 1.266 59.281 58.000 0.024 0.000 1.301 132 F CB 1.135 40.145 39.000 0.017 0.000 1.175 132 F HN 0.696 nan 8.300 nan 0.000 0.593 133 T N -2.694 112.003 114.554 0.238 0.000 2.922 133 T HA 0.335 4.685 4.350 0.000 0.000 0.281 133 T C 0.677 175.451 174.700 0.123 0.000 1.005 133 T CA -0.237 61.947 62.100 0.140 0.000 0.982 133 T CB 1.198 70.122 68.868 0.094 0.000 1.158 133 T HN 0.480 nan 8.240 nan 0.000 0.566 134 S N -0.967 114.780 115.700 0.078 0.000 2.593 134 S HA 0.118 4.589 4.470 0.000 0.000 0.217 134 S C 0.149 174.775 174.600 0.044 0.000 0.966 134 S CA -0.494 57.737 58.200 0.053 0.000 0.914 134 S CB -0.533 62.691 63.200 0.039 0.000 0.776 134 S HN 0.678 nan 8.310 nan 0.000 0.523 135 D N 3.420 123.852 120.400 0.055 0.000 2.443 135 D HA 0.134 4.774 4.640 0.000 0.000 0.239 135 D C -1.414 174.909 176.300 0.038 0.000 1.136 135 D CA -1.268 52.758 54.000 0.044 0.000 0.879 135 D CB 0.840 41.670 40.800 0.051 0.000 1.195 135 D HN 0.051 nan 8.370 nan 0.000 0.443 136 P HA -0.156 nan 4.420 nan 0.000 0.211 136 P C 0.034 177.344 177.300 0.016 0.000 1.181 136 P CA 1.573 64.682 63.100 0.014 0.000 0.929 136 P CB 0.111 31.817 31.700 0.011 0.000 0.789 137 K N 0.239 120.653 120.400 0.024 0.000 2.298 137 K HA 0.270 4.590 4.320 0.000 0.000 0.280 137 K C -2.538 174.097 176.600 0.057 0.000 1.032 137 K CA -1.903 54.402 56.287 0.029 0.000 0.958 137 K CB -0.219 32.299 32.500 0.029 0.000 0.978 137 K HN -0.075 nan 8.250 nan 0.000 0.472 138 P HA -0.042 nan 4.420 nan 0.000 0.258 138 P C -1.173 176.238 177.300 0.186 0.000 1.172 138 P CA 0.376 63.555 63.100 0.132 0.000 0.762 138 P CB 0.628 32.394 31.700 0.110 0.000 0.764 139 T N 3.878 118.570 114.554 0.230 0.000 2.933 139 T HA 0.622 4.972 4.350 0.000 0.000 0.305 139 T C -0.064 174.733 174.700 0.162 0.000 1.092 139 T CA -0.539 61.664 62.100 0.171 0.000 1.008 139 T CB 0.805 69.739 68.868 0.110 0.000 1.102 139 T HN 0.279 nan 8.240 nan 0.000 0.469 140 I N -0.552 120.060 120.570 0.069 0.000 2.910 140 I HA 0.872 5.042 4.170 0.000 0.000 0.310 140 I C -0.583 175.569 176.117 0.058 0.000 1.043 140 I CA -0.908 60.361 61.300 -0.052 0.000 1.053 140 I CB 2.258 40.115 38.000 -0.237 0.000 1.242 140 I HN 0.586 nan 8.210 nan 0.000 0.452 141 E N 3.114 123.332 120.200 0.030 0.000 2.234 141 E HA 0.641 4.991 4.350 0.000 0.000 0.266 141 E C -1.956 174.697 176.600 0.088 0.000 0.877 141 E CA -0.792 55.657 56.400 0.081 0.000 0.758 141 E CB 2.549 32.279 29.700 0.049 0.000 1.170 141 E HN 0.607 nan 8.360 nan 0.000 0.415 142 V N 3.224 123.244 119.914 0.176 0.000 2.488 142 V HA 0.212 4.332 4.120 0.000 0.000 0.293 142 V C -0.120 176.057 176.094 0.139 0.000 1.027 142 V CA -0.798 61.578 62.300 0.126 0.000 0.862 142 V CB 1.411 33.287 31.823 0.087 0.000 1.008 142 V HN 0.895 nan 8.190 nan 0.000 0.428 143 S N 3.873 119.626 115.700 0.087 0.000 3.628 143 S HA -0.185 4.285 4.470 0.000 0.000 0.373 143 S C 1.521 176.156 174.600 0.059 0.000 0.968 143 S CA 1.535 59.775 58.200 0.067 0.000 1.215 143 S CB -1.223 62.013 63.200 0.060 0.000 0.912 143 S HN 2.278 nan 8.310 nan 0.000 0.495 144 G N -0.175 108.655 108.800 0.050 0.000 2.304 144 G HA2 -0.329 3.631 3.960 0.000 0.000 0.252 144 G HA3 -0.329 3.631 3.960 0.000 0.000 0.252 144 G C -0.021 174.880 174.900 0.001 0.000 1.014 144 G CA 0.772 45.887 45.100 0.025 0.000 0.619 144 G HN 0.638 nan 8.290 nan 0.000 0.525 145 K N 0.860 121.264 120.400 0.007 0.000 2.118 145 K HA 0.522 4.843 4.320 0.000 0.000 0.267 145 K C 0.025 176.501 176.600 -0.206 0.000 0.991 145 K CA -0.437 55.777 56.287 -0.123 0.000 0.916 145 K CB 1.501 33.911 32.500 -0.150 0.000 1.041 145 K HN 0.216 nan 8.250 nan 0.000 0.455 146 K N 2.022 122.211 120.400 -0.351 0.000 2.138 146 K HA 0.399 4.719 4.320 0.000 0.000 0.263 146 K C -1.023 175.270 176.600 -0.512 0.000 0.965 146 K CA -0.610 55.522 56.287 -0.258 0.000 0.868 146 K CB 1.022 33.455 32.500 -0.112 0.000 1.083 146 K HN 0.401 nan 8.250 nan 0.000 0.443 147 Y N -0.494 119.835 120.300 0.048 0.000 2.524 147 Y HA 0.407 4.957 4.550 0.000 0.000 0.347 147 Y C 0.199 176.156 175.900 0.095 0.000 1.005 147 Y CA -0.785 57.374 58.100 0.099 0.000 1.025 147 Y CB 2.684 41.204 38.460 0.099 0.000 1.275 147 Y HN 0.530 nan 8.280 nan 0.000 0.460 148 T N 0.860 115.588 114.554 0.290 0.000 2.816 148 T HA 0.924 5.274 4.350 0.000 0.000 0.299 148 T C -1.821 173.028 174.700 0.249 0.000 1.230 148 T CA -0.351 61.877 62.100 0.213 0.000 1.007 148 T CB 1.436 70.386 68.868 0.136 0.000 1.289 148 T HN 1.078 nan 8.240 nan 0.000 0.508 149 A N 2.423 125.370 122.820 0.212 0.000 2.594 149 A HA 0.704 5.024 4.320 0.000 0.000 0.296 149 A C -2.494 175.191 177.584 0.169 0.000 1.056 149 A CA -0.990 51.191 52.037 0.240 0.000 0.693 149 A CB 1.027 20.219 19.000 0.319 0.000 1.278 149 A HN 0.557 nan 8.150 nan 0.000 0.408 150 P HA -0.045 nan 4.420 nan 0.000 0.225 150 P C -0.156 176.983 177.300 -0.268 0.000 1.148 150 P CA 1.285 64.323 63.100 -0.103 0.000 0.779 150 P CB -0.011 31.589 31.700 -0.166 0.000 0.780 151 H N -0.218 119.077 119.070 0.375 0.000 2.823 151 H HA 0.446 5.002 4.556 0.000 0.000 0.332 151 H C -0.201 175.462 175.328 0.560 0.000 0.980 151 H CA -0.652 55.736 56.048 0.568 0.000 1.286 151 H CB 1.563 31.687 29.762 0.605 0.000 1.541 151 H HN 0.011 nan 8.280 nan 0.000 0.521 152 I N 4.202 125.092 120.570 0.533 0.000 2.436 152 I HA 0.123 4.293 4.170 0.000 0.000 0.289 152 I C -0.586 175.745 176.117 0.357 0.000 1.010 152 I CA -0.866 60.626 61.300 0.321 0.000 1.098 152 I CB 2.286 40.439 38.000 0.255 0.000 1.266 152 I HN 0.194 nan 8.210 nan 0.000 0.434 153 L N 8.332 129.654 121.223 0.165 0.000 2.296 153 L HA 0.587 4.927 4.340 0.000 0.000 0.286 153 L C -0.762 176.164 176.870 0.093 0.000 1.023 153 L CA -0.021 54.931 54.840 0.187 0.000 0.812 153 L CB 1.138 43.220 42.059 0.039 0.000 1.223 153 L HN 0.394 nan 8.230 nan 0.000 0.421 154 I N 5.794 126.455 120.570 0.151 0.000 2.312 154 I HA 0.524 4.694 4.170 0.000 0.000 0.290 154 I C 0.246 176.416 176.117 0.088 0.000 1.008 154 I CA -0.223 61.145 61.300 0.114 0.000 1.226 154 I CB 1.479 39.582 38.000 0.173 0.000 1.371 154 I HN 0.817 nan 8.210 nan 0.000 0.468 155 A N 3.550 126.395 122.820 0.041 0.000 3.176 155 A HA 0.257 4.577 4.320 0.000 0.000 0.265 155 A C 0.913 178.512 177.584 0.024 0.000 0.936 155 A CA -0.351 51.711 52.037 0.041 0.000 1.033 155 A CB -0.349 18.665 19.000 0.023 0.000 1.158 155 A HN 0.739 nan 8.150 nan 0.000 0.485 156 T N -2.920 111.656 114.554 0.036 0.000 3.113 156 T HA 0.405 4.756 4.350 0.000 0.000 0.256 156 T C 1.430 176.156 174.700 0.044 0.000 1.131 156 T CA 1.065 63.185 62.100 0.032 0.000 1.074 156 T CB -0.312 68.579 68.868 0.038 0.000 0.944 156 T HN 2.000 nan 8.240 nan 0.000 0.516 157 G N 0.606 109.439 108.800 0.055 0.000 2.564 157 G HA2 0.193 4.153 3.960 0.000 0.000 0.273 157 G HA3 0.193 4.153 3.960 0.000 0.000 0.273 157 G C 0.150 175.092 174.900 0.070 0.000 1.242 157 G CA -0.211 44.925 45.100 0.061 0.000 0.951 157 G HN 1.269 nan 8.290 nan 0.000 0.564 158 G N -2.045 106.793 108.800 0.063 0.000 3.021 158 G HA2 0.972 4.933 3.960 0.000 0.000 0.290 158 G HA3 0.972 4.933 3.960 0.000 0.000 0.290 158 G C -0.424 174.500 174.900 0.041 0.000 1.291 158 G CA 0.258 45.395 45.100 0.062 0.000 0.834 158 G HN 1.943 nan 8.290 nan 0.000 0.564 159 M N -2.213 117.411 119.600 0.039 0.000 2.682 159 M HA 0.572 5.052 4.480 0.000 0.000 0.272 159 M C -3.267 173.053 176.300 0.033 0.000 1.232 159 M CA -1.742 53.575 55.300 0.028 0.000 0.849 159 M CB 1.972 34.577 32.600 0.009 0.000 1.695 159 M HN 0.186 nan 8.290 nan 0.000 0.481 160 P HA 0.178 nan 4.420 nan 0.000 0.271 160 P C -0.924 176.385 177.300 0.017 0.000 1.216 160 P CA -0.080 63.043 63.100 0.038 0.000 0.776 160 P CB 1.053 32.786 31.700 0.055 0.000 0.881 161 S N 1.470 117.176 115.700 0.011 0.000 2.554 161 S HA 0.603 5.073 4.470 0.000 0.000 0.278 161 S C -0.414 174.141 174.600 -0.075 0.000 1.242 161 S CA -0.258 57.927 58.200 -0.024 0.000 1.051 161 S CB -0.229 62.965 63.200 -0.010 0.000 0.986 161 S HN 0.525 nan 8.310 nan 0.000 0.502 162 T N 2.828 117.286 114.554 -0.159 0.000 2.900 162 T HA 0.673 5.024 4.350 0.000 0.000 0.295 162 T C -3.084 171.367 174.700 -0.416 0.000 1.044 162 T CA -1.814 60.074 62.100 -0.354 0.000 0.995 162 T CB 1.031 69.728 68.868 -0.286 0.000 1.072 162 T HN 0.378 nan 8.240 nan 0.000 0.473 163 P HA 0.218 nan 4.420 nan 0.000 0.272 163 P C -0.243 176.887 177.300 -0.283 0.000 1.223 163 P CA -0.391 62.429 63.100 -0.466 0.000 0.784 163 P CB 0.254 31.502 31.700 -0.753 0.000 0.923 164 H N 1.312 120.261 119.070 -0.202 0.000 2.610 164 H HA 0.011 4.567 4.556 0.000 0.000 0.336 164 H C 1.013 176.284 175.328 -0.095 0.000 1.087 164 H CA -0.025 55.949 56.048 -0.124 0.000 1.405 164 H CB 1.278 30.988 29.762 -0.087 0.000 1.460 164 H HN 0.541 nan 8.280 nan 0.000 0.538 165 E N 1.716 121.909 120.200 -0.011 0.000 2.219 165 E HA -0.194 4.156 4.350 0.000 0.000 0.198 165 E C 1.974 178.594 176.600 0.033 0.000 0.998 165 E CA 1.690 58.093 56.400 0.006 0.000 0.818 165 E CB 0.162 29.860 29.700 -0.003 0.000 0.741 165 E HN 0.657 nan 8.360 nan 0.000 0.477 166 S N -0.206 115.530 115.700 0.060 0.000 2.383 166 S HA -0.287 4.183 4.470 0.000 0.000 0.227 166 S C 2.083 176.700 174.600 0.027 0.000 1.026 166 S CA 1.232 59.457 58.200 0.042 0.000 0.981 166 S CB -0.458 62.766 63.200 0.041 0.000 0.818 166 S HN 0.522 nan 8.310 nan 0.000 0.472 167 Q N 0.835 120.653 119.800 0.030 0.000 2.163 167 Q HA 0.278 4.618 4.340 0.000 0.000 0.198 167 Q C 0.405 176.414 176.000 0.015 0.000 0.954 167 Q CA 0.713 56.522 55.803 0.009 0.000 0.851 167 Q CB -0.103 28.630 28.738 -0.008 0.000 0.928 167 Q HN 0.621 nan 8.270 nan 0.000 0.459 168 I N 2.216 122.794 120.570 0.015 0.000 2.493 168 I HA 0.400 4.570 4.170 0.000 0.000 0.279 168 I C -2.523 173.627 176.117 0.055 0.000 1.045 168 I CA -2.807 58.519 61.300 0.043 0.000 1.106 168 I CB 2.079 40.111 38.000 0.053 0.000 1.216 168 I HN -0.038 nan 8.210 nan 0.000 0.459 169 P HA 0.101 nan 4.420 nan 0.000 0.264 169 P C 0.907 178.251 177.300 0.074 0.000 1.193 169 P CA 0.701 63.832 63.100 0.051 0.000 0.763 169 P CB 0.673 32.398 31.700 0.041 0.000 0.810 170 G N 2.945 111.787 108.800 0.070 0.000 2.157 170 G HA2 -0.313 3.648 3.960 0.000 0.000 0.248 170 G HA3 -0.313 3.648 3.960 0.000 0.000 0.248 170 G C 1.162 176.156 174.900 0.156 0.000 0.979 170 G CA 0.321 45.475 45.100 0.089 0.000 0.650 170 G HN 0.639 nan 8.290 nan 0.000 0.529 171 A N 0.847 123.769 122.820 0.171 0.000 1.978 171 A HA 0.129 4.450 4.320 0.000 0.000 0.220 171 A C 2.642 180.414 177.584 0.314 0.000 1.170 171 A CA 2.679 54.896 52.037 0.300 0.000 0.636 171 A CB -0.774 18.212 19.000 -0.022 0.000 0.810 171 A HN 1.793 nan 8.150 nan 0.000 0.448 172 S N -0.379 115.402 115.700 0.134 0.000 2.584 172 S HA 0.035 4.506 4.470 0.000 0.000 0.240 172 S C 1.430 176.104 174.600 0.123 0.000 0.975 172 S CA 1.080 59.342 58.200 0.103 0.000 0.949 172 S CB -0.567 62.653 63.200 0.033 0.000 0.761 172 S HN 0.477 nan 8.310 nan 0.000 0.536 173 L N 0.865 122.172 121.223 0.140 0.000 2.492 173 L HA 0.274 4.614 4.340 0.000 0.000 0.223 173 L C 1.582 178.497 176.870 0.074 0.000 1.132 173 L CA 0.162 55.053 54.840 0.085 0.000 0.850 173 L CB -0.597 41.496 42.059 0.056 0.000 0.966 173 L HN 0.451 nan 8.230 nan 0.000 0.454 174 G N 0.359 109.253 108.800 0.157 0.000 2.477 174 G HA2 0.573 4.533 3.960 0.000 0.000 0.304 174 G HA3 0.573 4.533 3.960 0.000 0.000 0.304 174 G C -0.406 174.575 174.900 0.135 0.000 1.175 174 G CA -0.514 44.596 45.100 0.017 0.000 0.907 174 G HN 0.107 nan 8.290 nan 0.000 0.509 175 I N -1.778 118.823 120.570 0.053 0.000 3.100 175 I HA 0.850 5.021 4.170 0.000 0.000 0.312 175 I C 0.455 176.662 176.117 0.150 0.000 1.063 175 I CA -0.937 60.426 61.300 0.105 0.000 1.031 175 I CB 2.276 40.308 38.000 0.054 0.000 1.243 175 I HN 0.603 nan 8.210 nan 0.000 0.483 176 T N -1.433 113.206 114.554 0.142 0.000 2.844 176 T HA 0.304 4.654 4.350 0.000 0.000 0.274 176 T C 1.069 175.828 174.700 0.097 0.000 0.991 176 T CA -0.014 62.168 62.100 0.135 0.000 0.983 176 T CB 1.056 70.000 68.868 0.126 0.000 1.310 176 T HN 0.791 nan 8.240 nan 0.000 0.596 177 S N 0.010 115.749 115.700 0.066 0.000 2.419 177 S HA -0.149 4.321 4.470 0.000 0.000 0.233 177 S C 1.281 175.965 174.600 0.141 0.000 1.016 177 S CA 1.294 59.511 58.200 0.029 0.000 0.974 177 S CB -0.875 62.329 63.200 0.006 0.000 0.786 177 S HN 0.699 nan 8.310 nan 0.000 0.492 178 D N 2.349 122.858 120.400 0.181 0.000 2.097 178 D HA 0.009 4.649 4.640 0.000 0.000 0.195 178 D C 2.237 178.664 176.300 0.212 0.000 0.989 178 D CA 1.505 55.645 54.000 0.234 0.000 0.827 178 D CB -1.094 39.792 40.800 0.144 0.000 0.966 178 D HN 0.540 nan 8.370 nan 0.000 0.456 179 G N -0.092 108.794 108.800 0.143 0.000 2.432 179 G HA2 -0.275 3.685 3.960 0.000 0.000 0.219 179 G HA3 -0.275 3.685 3.960 0.000 0.000 0.219 179 G C 1.499 176.456 174.900 0.096 0.000 1.135 179 G CA 0.317 45.482 45.100 0.109 0.000 0.767 179 G HN 0.267 nan 8.290 nan 0.000 0.550 180 F N 0.962 120.856 119.950 -0.092 0.000 2.154 180 F HA -0.041 4.486 4.527 0.000 0.000 0.301 180 F C 1.807 177.504 175.800 -0.173 0.000 1.087 180 F CA 1.147 59.026 58.000 -0.202 0.000 1.274 180 F CB -0.110 38.639 39.000 -0.418 0.000 1.009 180 F HN 0.112 nan 8.300 nan 0.000 0.485 181 F N 0.243 120.337 119.950 0.241 0.000 2.802 181 F HA 0.047 4.574 4.527 0.000 0.000 0.300 181 F C 1.991 177.840 175.800 0.082 0.000 1.168 181 F CA 0.555 58.642 58.000 0.145 0.000 1.433 181 F CB -0.635 38.480 39.000 0.192 0.000 1.115 181 F HN 0.137 nan 8.300 nan 0.000 0.582 182 Q N -0.307 119.596 119.800 0.171 0.000 2.352 182 Q HA 0.193 4.533 4.340 0.000 0.000 0.212 182 Q C 0.497 176.542 176.000 0.075 0.000 0.888 182 Q CA -0.062 55.816 55.803 0.124 0.000 0.934 182 Q CB 0.606 29.402 28.738 0.098 0.000 1.093 182 Q HN 0.318 nan 8.270 nan 0.000 0.523 183 L N 1.958 123.194 121.223 0.021 0.000 2.540 183 L HA -0.060 4.280 4.340 0.000 0.000 0.276 183 L C 1.072 177.996 176.870 0.090 0.000 1.212 183 L CA 0.647 55.454 54.840 -0.056 0.000 0.893 183 L CB 0.317 42.222 42.059 -0.257 0.000 1.138 183 L HN 0.178 nan 8.230 nan 0.000 0.491 184 E N 1.841 122.028 120.200 -0.021 0.000 2.476 184 E HA 0.102 4.452 4.350 0.000 0.000 0.199 184 E C -0.351 176.215 176.600 -0.057 0.000 1.021 184 E CA 0.113 56.556 56.400 0.072 0.000 0.907 184 E CB 0.693 30.418 29.700 0.041 0.000 0.974 184 E HN 0.573 nan 8.360 nan 0.000 0.489 185 E N 0.783 120.728 120.200 -0.425 0.000 2.383 185 E HA 0.224 4.574 4.350 0.000 0.000 0.275 185 E C -1.082 174.894 176.600 -1.039 0.000 0.918 185 E CA -1.008 55.071 56.400 -0.535 0.000 0.764 185 E CB 2.326 31.859 29.700 -0.277 0.000 1.252 185 E HN -0.075 nan 8.360 nan 0.000 0.449 186 L N 3.004 123.703 121.223 -0.873 0.000 2.418 186 L HA 0.275 4.615 4.340 0.000 0.000 0.274 186 L C -2.411 174.200 176.870 -0.431 0.000 1.135 186 L CA -0.959 53.395 54.840 -0.809 0.000 0.870 186 L CB 0.035 42.013 42.059 -0.135 0.000 1.154 186 L HN 0.220 nan 8.230 nan 0.000 0.462 187 P HA 0.234 nan 4.420 nan 0.000 0.271 187 P C 0.507 177.728 177.300 -0.132 0.000 1.216 187 P CA -0.168 62.798 63.100 -0.223 0.000 0.776 187 P CB 0.979 32.567 31.700 -0.187 0.000 0.881 188 G N 1.775 110.517 108.800 -0.097 0.000 2.408 188 G HA2 -0.088 3.872 3.960 0.000 0.000 0.215 188 G HA3 -0.088 3.872 3.960 0.000 0.000 0.215 188 G C 0.496 175.369 174.900 -0.045 0.000 1.156 188 G CA 0.522 45.587 45.100 -0.058 0.000 0.793 188 G HN 0.445 nan 8.290 nan 0.000 0.535 189 R N 0.403 120.870 120.500 -0.055 0.000 2.502 189 R HA 0.524 4.864 4.340 0.000 0.000 0.300 189 R C -1.230 175.035 176.300 -0.058 0.000 0.984 189 R CA -0.349 55.722 56.100 -0.048 0.000 0.882 189 R CB 1.556 31.829 30.300 -0.046 0.000 1.180 189 R HN 0.134 nan 8.270 nan 0.000 0.444 190 S N 1.693 117.362 115.700 -0.051 0.000 2.548 190 S HA 0.719 5.190 4.470 0.000 0.000 0.286 190 S C -1.104 173.455 174.600 -0.068 0.000 1.098 190 S CA -0.872 57.292 58.200 -0.060 0.000 0.930 190 S CB 2.087 65.263 63.200 -0.040 0.000 1.070 190 S HN 0.241 nan 8.310 nan 0.000 0.480 191 V N 2.605 122.458 119.914 -0.102 0.000 2.407 191 V HA 0.473 4.593 4.120 0.000 0.000 0.291 191 V C -1.126 174.874 176.094 -0.157 0.000 1.018 191 V CA -0.533 61.694 62.300 -0.122 0.000 0.842 191 V CB 1.088 32.824 31.823 -0.146 0.000 0.996 191 V HN 0.844 nan 8.190 nan 0.000 0.426 192 I N 5.381 125.879 120.570 -0.120 0.000 2.359 192 I HA 0.449 4.619 4.170 0.000 0.000 0.294 192 I C -0.065 175.985 176.117 -0.112 0.000 0.987 192 I CA -0.268 60.960 61.300 -0.120 0.000 1.225 192 I CB 1.914 39.866 38.000 -0.080 0.000 1.366 192 I HN 0.289 nan 8.210 nan 0.000 0.466 193 V N 5.704 125.549 119.914 -0.115 0.000 2.357 193 V HA 0.958 5.078 4.120 0.000 0.000 0.284 193 V C 0.358 176.486 176.094 0.057 0.000 1.018 193 V CA -0.282 62.000 62.300 -0.030 0.000 0.841 193 V CB 0.669 32.480 31.823 -0.021 0.000 0.991 193 V HN 1.022 nan 8.190 nan 0.000 0.437 194 G N 3.607 112.429 108.800 0.037 0.000 2.333 194 G HA2 0.522 4.482 3.960 0.000 0.000 0.330 194 G HA3 0.522 4.482 3.960 0.000 0.000 0.330 194 G C -0.357 174.544 174.900 0.002 0.000 1.465 194 G CA 0.083 45.206 45.100 0.039 0.000 0.996 194 G HN 1.144 nan 8.290 nan 0.000 0.655 195 A N -0.533 122.290 122.820 0.004 0.000 2.585 195 A HA 0.770 5.090 4.320 0.000 0.000 0.266 195 A C 1.168 178.736 177.584 -0.025 0.000 1.178 195 A CA 1.318 53.345 52.037 -0.017 0.000 0.966 195 A CB 0.062 19.059 19.000 -0.004 0.000 1.170 195 A HN 2.061 nan 8.150 nan 0.000 0.558 196 G N -1.380 107.412 108.800 -0.014 0.000 2.543 196 G HA2 0.340 4.300 3.960 0.000 0.000 0.290 196 G HA3 0.340 4.300 3.960 0.000 0.000 0.290 196 G C 0.691 175.575 174.900 -0.026 0.000 1.310 196 G CA 0.119 45.227 45.100 0.014 0.000 1.025 196 G HN 0.621 nan 8.290 nan 0.000 0.502 197 Y N -1.013 119.257 120.300 -0.050 0.000 2.274 197 Y HA -0.067 4.484 4.550 0.000 0.000 0.290 197 Y C 2.264 178.142 175.900 -0.036 0.000 1.145 197 Y CA 1.382 59.438 58.100 -0.073 0.000 1.203 197 Y CB -0.401 38.044 38.460 -0.024 0.000 0.984 197 Y HN 0.221 nan 8.280 nan 0.000 0.533 198 I N 1.002 121.085 120.570 -0.812 0.000 2.226 198 I HA -0.268 3.902 4.170 0.000 0.000 0.245 198 I C 2.832 178.779 176.117 -0.283 0.000 1.100 198 I CA 1.231 62.169 61.300 -0.603 0.000 1.374 198 I CB -0.675 36.989 38.000 -0.559 0.000 1.057 198 I HN 0.447 nan 8.210 nan 0.000 0.413 199 A N 0.435 123.133 122.820 -0.202 0.000 1.877 199 A HA -0.156 4.164 4.320 0.000 0.000 0.216 199 A C 2.422 179.948 177.584 -0.097 0.000 1.186 199 A CA 1.773 53.735 52.037 -0.125 0.000 0.620 199 A CB -1.003 17.950 19.000 -0.078 0.000 0.822 199 A HN 0.224 nan 8.150 nan 0.000 0.443 200 V N 0.218 120.084 119.914 -0.080 0.000 2.332 200 V HA -0.290 3.831 4.120 0.000 0.000 0.248 200 V C 2.437 178.528 176.094 -0.005 0.000 1.055 200 V CA 2.368 64.643 62.300 -0.042 0.000 1.038 200 V CB -0.895 30.897 31.823 -0.052 0.000 0.651 200 V HN 0.638 nan 8.190 nan 0.000 0.450 201 E N -0.523 119.669 120.200 -0.013 0.000 2.051 201 E HA -0.198 4.152 4.350 0.000 0.000 0.192 201 E C 2.340 178.938 176.600 -0.003 0.000 0.991 201 E CA 1.390 57.812 56.400 0.037 0.000 0.799 201 E CB -0.197 29.537 29.700 0.057 0.000 0.748 201 E HN 0.432 nan 8.360 nan 0.000 0.449 202 M N 0.454 119.964 119.600 -0.150 0.000 2.086 202 M HA -0.125 4.355 4.480 0.000 0.000 0.261 202 M C 2.564 178.824 176.300 -0.066 0.000 1.067 202 M CA 1.326 56.461 55.300 -0.275 0.000 1.116 202 M CB -1.058 31.309 32.600 -0.388 0.000 1.348 202 M HN 0.106 nan 8.290 nan 0.000 0.407 203 A N 0.649 123.451 122.820 -0.030 0.000 1.908 203 A HA -0.055 4.265 4.320 0.000 0.000 0.218 203 A C 2.473 180.102 177.584 0.076 0.000 1.181 203 A CA 2.145 54.193 52.037 0.017 0.000 0.627 203 A CB -1.514 17.484 19.000 -0.002 0.000 0.818 203 A HN 0.542 nan 8.150 nan 0.000 0.445 204 G N -0.270 108.608 108.800 0.130 0.000 2.422 204 G HA2 -0.142 3.818 3.960 0.000 0.000 0.218 204 G HA3 -0.142 3.818 3.960 0.000 0.000 0.218 204 G C 1.516 176.569 174.900 0.255 0.000 1.146 204 G CA 1.118 46.369 45.100 0.252 0.000 0.769 204 G HN 0.484 nan 8.290 nan 0.000 0.547 205 I N 0.133 120.870 120.570 0.278 0.000 2.233 205 I HA -0.049 4.121 4.170 0.000 0.000 0.243 205 I C 2.680 178.930 176.117 0.221 0.000 1.093 205 I CA 0.513 61.977 61.300 0.274 0.000 1.380 205 I CB -0.165 38.035 38.000 0.333 0.000 1.067 205 I HN 0.098 nan 8.210 nan 0.000 0.413 206 L N -0.330 121.043 121.223 0.249 0.000 2.046 206 L HA -0.236 4.104 4.340 0.000 0.000 0.208 206 L C 2.732 179.675 176.870 0.121 0.000 1.077 206 L CA 1.434 56.418 54.840 0.239 0.000 0.747 206 L CB -0.535 41.650 42.059 0.210 0.000 0.896 206 L HN 0.238 nan 8.230 nan 0.000 0.432 207 S N -0.530 115.213 115.700 0.072 0.000 2.355 207 S HA -0.162 4.308 4.470 0.000 0.000 0.222 207 S C 2.132 176.723 174.600 -0.014 0.000 1.031 207 S CA 1.202 59.416 58.200 0.023 0.000 0.993 207 S CB -0.107 63.099 63.200 0.010 0.000 0.859 207 S HN 0.439 nan 8.310 nan 0.000 0.453 208 A N 1.237 124.018 122.820 -0.066 0.000 1.933 208 A HA 0.059 4.379 4.320 0.000 0.000 0.218 208 A C 2.019 179.522 177.584 -0.136 0.000 1.175 208 A CA 1.289 53.233 52.037 -0.156 0.000 0.628 208 A CB -0.682 18.117 19.000 -0.334 0.000 0.814 208 A HN 0.586 nan 8.150 nan 0.000 0.444 209 L N -1.597 119.565 121.223 -0.101 0.000 2.610 209 L HA 0.171 4.511 4.340 0.000 0.000 0.232 209 L C 1.649 178.519 176.870 -0.000 0.000 1.149 209 L CA 0.600 55.342 54.840 -0.163 0.000 0.872 209 L CB -0.149 41.833 42.059 -0.128 0.000 0.992 209 L HN 0.620 nan 8.230 nan 0.000 0.447 210 G N -0.961 107.857 108.800 0.029 0.000 2.192 210 G HA2 -0.231 3.729 3.960 0.000 0.000 0.193 210 G HA3 -0.231 3.729 3.960 0.000 0.000 0.193 210 G C 0.308 175.238 174.900 0.050 0.000 0.999 210 G CA 0.106 45.240 45.100 0.055 0.000 0.659 210 G HN 0.224 nan 8.290 nan 0.000 0.503 211 S N 0.110 115.840 115.700 0.050 0.000 2.545 211 S HA 0.510 4.980 4.470 0.000 0.000 0.275 211 S C 0.547 175.153 174.600 0.010 0.000 1.299 211 S CA -0.006 58.207 58.200 0.022 0.000 1.048 211 S CB 0.920 64.133 63.200 0.022 0.000 0.938 211 S HN 0.570 nan 8.310 nan 0.000 0.496 212 K N 3.605 124.002 120.400 -0.004 0.000 2.278 212 K HA 0.194 4.514 4.320 0.000 0.000 0.289 212 K C -0.668 175.923 176.600 -0.015 0.000 1.080 212 K CA 0.174 56.455 56.287 -0.010 0.000 0.934 212 K CB -0.217 32.274 32.500 -0.015 0.000 1.093 212 K HN 0.491 nan 8.250 nan 0.000 0.459 213 T N 2.827 117.375 114.554 -0.011 0.000 2.823 213 T HA 0.386 4.736 4.350 0.000 0.000 0.279 213 T C -0.770 173.917 174.700 -0.022 0.000 0.998 213 T CA -0.757 61.334 62.100 -0.014 0.000 0.994 213 T CB 1.528 70.397 68.868 0.002 0.000 0.960 213 T HN 0.454 nan 8.240 nan 0.000 0.448 214 S N 2.120 117.800 115.700 -0.033 0.000 2.513 214 S HA 0.657 5.127 4.470 0.000 0.000 0.299 214 S C -1.175 173.398 174.600 -0.044 0.000 1.087 214 S CA -0.726 57.452 58.200 -0.036 0.000 1.012 214 S CB 1.380 64.555 63.200 -0.042 0.000 1.044 214 S HN 0.561 nan 8.310 nan 0.000 0.485 215 L N 3.505 124.704 121.223 -0.040 0.000 2.316 215 L HA 0.584 4.924 4.340 0.000 0.000 0.280 215 L C -0.722 176.121 176.870 -0.044 0.000 1.006 215 L CA -0.306 54.507 54.840 -0.045 0.000 0.836 215 L CB 1.121 43.157 42.059 -0.038 0.000 1.221 215 L HN 0.778 nan 8.230 nan 0.000 0.418 216 M N 7.136 126.707 119.600 -0.047 0.000 2.084 216 M HA 0.498 4.978 4.480 0.000 0.000 0.351 216 M C -0.883 175.401 176.300 -0.027 0.000 1.240 216 M CA -0.424 54.854 55.300 -0.037 0.000 1.083 216 M CB 0.457 33.034 32.600 -0.037 0.000 1.593 216 M HN 0.687 nan 8.290 nan 0.000 0.463 217 I N 1.495 122.038 120.570 -0.044 0.000 2.740 217 I HA 0.489 4.659 4.170 0.000 0.000 0.303 217 I C 0.238 176.299 176.117 -0.093 0.000 1.044 217 I CA -1.017 60.252 61.300 -0.052 0.000 1.064 217 I CB 2.052 40.009 38.000 -0.071 0.000 1.249 217 I HN 0.707 nan 8.210 nan 0.000 0.433 218 R N 1.426 121.880 120.500 -0.076 0.000 2.189 218 R HA 0.116 4.456 4.340 0.000 0.000 0.218 218 R C 0.588 176.590 176.300 -0.497 0.000 1.074 218 R CA 0.848 56.840 56.100 -0.181 0.000 0.991 218 R CB -0.176 30.051 30.300 -0.122 0.000 0.883 218 R HN 0.687 nan 8.270 nan 0.000 0.457 219 H N -0.677 118.173 119.070 -0.367 0.000 3.751 219 H HA 0.084 4.640 4.556 0.000 0.000 0.287 219 H C 0.453 175.113 175.328 -1.113 0.000 1.629 219 H CA -0.232 55.357 56.048 -0.765 0.000 1.526 219 H CB 0.489 30.058 29.762 -0.321 0.000 1.032 219 H HN 0.059 nan 8.280 nan 0.000 0.828 220 D N -0.012 120.012 120.400 -0.626 0.000 2.417 220 D HA 0.124 4.764 4.640 0.000 0.000 0.207 220 D C 0.030 176.237 176.300 -0.155 0.000 1.075 220 D CA 0.294 54.057 54.000 -0.394 0.000 0.851 220 D CB 1.154 41.887 40.800 -0.112 0.000 0.976 220 D HN 0.137 nan 8.370 nan 0.000 0.505 221 K N 0.225 120.555 120.400 -0.117 0.000 2.482 221 K HA 0.476 4.796 4.320 0.000 0.000 0.257 221 K C -0.612 175.943 176.600 -0.074 0.000 0.969 221 K CA -1.048 55.193 56.287 -0.077 0.000 0.842 221 K CB 3.385 35.852 32.500 -0.055 0.000 1.359 221 K HN -0.068 nan 8.250 nan 0.000 0.441 222 V N -0.587 119.281 119.914 -0.077 0.000 2.997 222 V HA 0.449 4.569 4.120 0.000 0.000 0.311 222 V C 0.417 176.443 176.094 -0.113 0.000 1.066 222 V CA -0.887 61.361 62.300 -0.086 0.000 1.039 222 V CB 0.383 32.149 31.823 -0.095 0.000 1.081 222 V HN 0.824 nan 8.190 nan 0.000 0.467 223 L N 0.008 121.151 121.223 -0.133 0.000 3.677 223 L HA -0.196 4.144 4.340 0.000 0.000 0.464 223 L C 1.768 178.629 176.870 -0.014 0.000 1.278 223 L CA 0.515 55.238 54.840 -0.194 0.000 0.806 223 L CB -1.253 40.435 42.059 -0.619 0.000 1.610 223 L HN 0.833 nan 8.230 nan 0.000 0.867 224 R N 0.156 120.662 120.500 0.010 0.000 2.237 224 R HA -0.099 4.241 4.340 0.000 0.000 0.219 224 R C 2.043 178.382 176.300 0.064 0.000 1.080 224 R CA 1.398 57.502 56.100 0.006 0.000 0.995 224 R CB -0.125 30.129 30.300 -0.077 0.000 0.875 224 R HN 0.764 nan 8.270 nan 0.000 0.462 225 S N -0.416 115.385 115.700 0.168 0.000 2.558 225 S HA 0.074 4.544 4.470 0.000 0.000 0.217 225 S C 0.446 175.131 174.600 0.143 0.000 0.975 225 S CA -0.157 58.127 58.200 0.140 0.000 0.912 225 S CB -0.035 63.243 63.200 0.129 0.000 0.776 225 S HN -0.041 nan 8.310 nan 0.000 0.526 226 F N 2.705 122.623 119.950 -0.054 0.000 2.368 226 F HA 0.460 4.987 4.527 0.000 0.000 0.315 226 F C 0.893 176.610 175.800 -0.138 0.000 1.145 226 F CA -2.163 55.791 58.000 -0.077 0.000 1.095 226 F CB 0.065 39.032 39.000 -0.054 0.000 1.286 226 F HN 0.042 nan 8.300 nan 0.000 0.530 227 D N -0.185 120.151 120.400 -0.106 0.000 2.478 227 D HA -0.008 4.632 4.640 0.000 0.000 0.234 227 D C 1.130 177.382 176.300 -0.080 0.000 1.154 227 D CA 0.701 54.551 54.000 -0.250 0.000 0.874 227 D CB 0.830 41.234 40.800 -0.659 0.000 1.198 227 D HN 0.518 nan 8.370 nan 0.000 0.455 228 S N 3.523 119.181 115.700 -0.070 0.000 2.419 228 S HA -0.285 4.185 4.470 0.000 0.000 0.233 228 S C 1.994 176.580 174.600 -0.023 0.000 1.016 228 S CA 0.884 59.065 58.200 -0.032 0.000 0.974 228 S CB -0.378 62.804 63.200 -0.029 0.000 0.786 228 S HN 0.725 nan 8.310 nan 0.000 0.492 229 M N 0.662 120.244 119.600 -0.030 0.000 2.159 229 M HA -0.048 4.432 4.480 0.000 0.000 0.263 229 M C 1.555 177.856 176.300 0.003 0.000 1.063 229 M CA 1.572 56.868 55.300 -0.007 0.000 1.110 229 M CB -0.233 32.371 32.600 0.008 0.000 1.374 229 M HN 0.288 nan 8.290 nan 0.000 0.411 230 I N 0.291 120.868 120.570 0.012 0.000 2.286 230 I HA -0.179 3.991 4.170 0.000 0.000 0.245 230 I C 2.620 178.727 176.117 -0.016 0.000 1.104 230 I CA 1.549 62.865 61.300 0.027 0.000 1.397 230 I CB -1.656 36.413 38.000 0.114 0.000 1.072 230 I HN 0.399 nan 8.210 nan 0.000 0.417 231 S N 0.122 115.814 115.700 -0.014 0.000 2.382 231 S HA -0.151 4.319 4.470 0.000 0.000 0.228 231 S C 1.992 176.566 174.600 -0.043 0.000 1.027 231 S CA 1.732 59.903 58.200 -0.049 0.000 0.991 231 S CB -1.064 62.118 63.200 -0.030 0.000 0.823 231 S HN 0.403 nan 8.310 nan 0.000 0.469 232 T N 2.543 117.082 114.554 -0.025 0.000 2.701 232 T HA -0.045 4.305 4.350 0.000 0.000 0.263 232 T C 1.846 176.534 174.700 -0.021 0.000 1.040 232 T CA 1.609 63.697 62.100 -0.019 0.000 1.147 232 T CB -0.722 68.140 68.868 -0.010 0.000 0.865 232 T HN 0.578 nan 8.240 nan 0.000 0.426 233 N N 0.088 118.777 118.700 -0.018 0.000 2.166 233 N HA -0.099 4.641 4.740 0.000 0.000 0.186 233 N C 2.035 177.530 175.510 -0.026 0.000 1.019 233 N CA 1.111 54.150 53.050 -0.019 0.000 0.856 233 N CB -0.560 37.919 38.487 -0.013 0.000 0.993 233 N HN 0.393 nan 8.380 nan 0.000 0.426 234 C N -0.514 118.762 119.300 -0.039 0.000 2.440 234 C HA -0.011 4.449 4.460 0.000 0.000 0.278 234 C C 2.465 177.430 174.990 -0.043 0.000 1.295 234 C CA 1.491 60.480 59.018 -0.050 0.000 1.738 234 C CB -1.494 26.189 27.740 -0.095 0.000 1.987 234 C HN 0.521 nan 8.230 nan 0.000 0.492 235 T N 0.610 115.137 114.554 -0.045 0.000 2.777 235 T HA -0.139 4.211 4.350 0.000 0.000 0.266 235 T C 1.567 176.251 174.700 -0.027 0.000 1.040 235 T CA 1.750 63.826 62.100 -0.039 0.000 1.141 235 T CB -0.330 68.513 68.868 -0.041 0.000 0.868 235 T HN 0.696 nan 8.240 nan 0.000 0.444 236 E N 0.926 121.112 120.200 -0.023 0.000 2.072 236 E HA -0.118 4.232 4.350 0.000 0.000 0.191 236 E C 2.411 179.000 176.600 -0.019 0.000 0.985 236 E CA 0.723 57.112 56.400 -0.019 0.000 0.801 236 E CB -0.063 29.627 29.700 -0.017 0.000 0.750 236 E HN 0.420 nan 8.360 nan 0.000 0.452 237 E N 0.857 121.047 120.200 -0.017 0.000 2.153 237 E HA -0.146 4.204 4.350 0.000 0.000 0.194 237 E C 2.269 178.868 176.600 -0.003 0.000 0.988 237 E CA 0.607 57.001 56.400 -0.010 0.000 0.811 237 E CB -0.118 29.582 29.700 0.002 0.000 0.746 237 E HN 0.313 nan 8.360 nan 0.000 0.466 238 L N 0.829 122.051 121.223 -0.002 0.000 2.017 238 L HA -0.199 4.141 4.340 0.000 0.000 0.208 238 L C 2.394 179.258 176.870 -0.010 0.000 1.073 238 L CA 1.335 56.176 54.840 0.002 0.000 0.745 238 L CB -0.328 41.727 42.059 -0.006 0.000 0.894 238 L HN 0.099 nan 8.230 nan 0.000 0.432 239 E N -0.169 120.020 120.200 -0.017 0.000 2.077 239 E HA -0.192 4.158 4.350 0.000 0.000 0.193 239 E C 1.882 178.466 176.600 -0.027 0.000 0.989 239 E CA 1.053 57.441 56.400 -0.020 0.000 0.800 239 E CB -0.147 29.542 29.700 -0.019 0.000 0.746 239 E HN 0.460 nan 8.360 nan 0.000 0.452 240 N N 0.828 119.511 118.700 -0.029 0.000 2.223 240 N HA -0.112 4.628 4.740 0.000 0.000 0.185 240 N C 1.380 176.859 175.510 -0.051 0.000 1.016 240 N CA 1.168 54.194 53.050 -0.040 0.000 0.863 240 N CB -0.145 38.317 38.487 -0.042 0.000 0.983 240 N HN 0.112 nan 8.380 nan 0.000 0.429 241 A N -0.521 122.274 122.820 -0.043 0.000 2.251 241 A HA 0.454 4.774 4.320 0.000 0.000 0.209 241 A C 1.428 178.980 177.584 -0.054 0.000 1.187 241 A CA 0.731 52.735 52.037 -0.055 0.000 0.823 241 A CB -0.241 18.736 19.000 -0.037 0.000 0.846 241 A HN 0.315 nan 8.150 nan 0.000 0.486 242 G N -1.771 107.003 108.800 -0.044 0.000 2.159 242 G HA2 -0.177 3.783 3.960 0.000 0.000 0.227 242 G HA3 -0.177 3.783 3.960 0.000 0.000 0.227 242 G C 0.097 174.982 174.900 -0.025 0.000 0.986 242 G CA 0.005 45.082 45.100 -0.038 0.000 0.651 242 G HN 0.718 nan 8.290 nan 0.000 0.523 243 V N 1.303 121.206 119.914 -0.019 0.000 2.461 243 V HA 0.412 4.532 4.120 0.000 0.000 0.275 243 V C 0.766 176.849 176.094 -0.018 0.000 1.047 243 V CA -0.179 62.113 62.300 -0.014 0.000 0.955 243 V CB 1.711 33.531 31.823 -0.005 0.000 0.988 243 V HN 0.419 nan 8.190 nan 0.000 0.471 244 E N 4.577 124.766 120.200 -0.019 0.000 2.070 244 E HA 0.265 4.615 4.350 0.000 0.000 0.282 244 E C -0.989 175.598 176.600 -0.022 0.000 1.104 244 E CA -0.464 55.924 56.400 -0.019 0.000 0.876 244 E CB 1.031 30.719 29.700 -0.019 0.000 1.055 244 E HN 0.530 nan 8.360 nan 0.000 0.401 245 V N 7.081 126.982 119.914 -0.022 0.000 2.389 245 V HA 0.130 4.250 4.120 0.000 0.000 0.264 245 V C 0.280 176.360 176.094 -0.024 0.000 1.049 245 V CA -0.394 61.889 62.300 -0.028 0.000 0.932 245 V CB 0.646 32.450 31.823 -0.032 0.000 1.011 245 V HN 0.649 nan 8.190 nan 0.000 0.475 246 L N 6.470 127.676 121.223 -0.027 0.000 2.282 246 L HA 0.397 4.737 4.340 0.000 0.000 0.287 246 L C 0.468 177.320 176.870 -0.030 0.000 1.075 246 L CA -0.245 54.585 54.840 -0.016 0.000 0.839 246 L CB 0.165 42.215 42.059 -0.015 0.000 1.219 246 L HN 0.564 nan 8.230 nan 0.000 0.434 247 K N 2.809 123.195 120.400 -0.023 0.000 2.154 247 K HA 0.344 4.664 4.320 0.000 0.000 0.264 247 K C -0.020 176.580 176.600 0.000 0.000 1.008 247 K CA -0.668 55.557 56.287 -0.102 0.000 0.937 247 K CB 0.461 32.898 32.500 -0.104 0.000 1.002 247 K HN 0.249 nan 8.250 nan 0.000 0.469 248 F N -0.260 119.671 119.950 -0.032 0.000 3.079 248 F HA -0.284 4.243 4.527 0.000 0.000 0.274 248 F C -0.261 175.507 175.800 -0.053 0.000 0.940 248 F CA 0.459 58.416 58.000 -0.071 0.000 0.932 248 F CB -2.007 36.960 39.000 -0.055 0.000 0.891 248 F HN 0.270 nan 8.300 nan 0.000 0.722 249 S N -0.439 115.288 115.700 0.046 0.000 2.568 249 S HA 0.830 5.300 4.470 0.000 0.000 0.293 249 S C -0.313 174.304 174.600 0.030 0.000 1.089 249 S CA -0.906 57.320 58.200 0.044 0.000 0.945 249 S CB 2.947 66.165 63.200 0.030 0.000 1.077 249 S HN 0.376 nan 8.310 nan 0.000 0.485 250 Q N -0.385 119.441 119.800 0.044 0.000 2.418 250 Q HA 0.662 5.002 4.340 0.000 0.000 0.282 250 Q C -1.649 174.397 176.000 0.077 0.000 1.044 250 Q CA -1.062 54.780 55.803 0.066 0.000 0.813 250 Q CB 1.020 29.798 28.738 0.067 0.000 1.428 250 Q HN 0.365 nan 8.270 nan 0.000 0.402 251 V N 2.652 122.642 119.914 0.125 0.000 2.572 251 V HA 0.039 4.159 4.120 0.000 0.000 0.291 251 V C 1.018 177.188 176.094 0.127 0.000 1.039 251 V CA 0.271 62.653 62.300 0.137 0.000 1.055 251 V CB 0.960 32.928 31.823 0.241 0.000 0.969 251 V HN 0.871 nan 8.190 nan 0.000 0.482 252 K N 3.424 123.877 120.400 0.088 0.000 2.214 252 K HA 0.151 4.471 4.320 0.000 0.000 0.201 252 K C 0.548 177.195 176.600 0.078 0.000 1.049 252 K CA 0.693 57.022 56.287 0.070 0.000 0.978 252 K CB 0.575 33.103 32.500 0.046 0.000 0.842 252 K HN 0.942 nan 8.250 nan 0.000 0.474 253 E N -0.769 119.480 120.200 0.082 0.000 2.409 253 E HA 0.272 4.622 4.350 0.000 0.000 0.280 253 E C -1.660 174.986 176.600 0.078 0.000 1.079 253 E CA -1.040 55.411 56.400 0.084 0.000 0.840 253 E CB 1.802 31.536 29.700 0.056 0.000 1.309 253 E HN -0.137 nan 8.360 nan 0.000 0.447 254 V N 1.211 121.175 119.914 0.084 0.000 2.709 254 V HA 0.615 4.735 4.120 0.000 0.000 0.308 254 V C -0.831 175.289 176.094 0.044 0.000 1.062 254 V CA -0.691 61.644 62.300 0.059 0.000 0.901 254 V CB 1.654 33.528 31.823 0.084 0.000 1.003 254 V HN 0.817 nan 8.190 nan 0.000 0.425 255 K N 1.753 122.167 120.400 0.022 0.000 2.502 255 K HA 0.782 5.102 4.320 0.000 0.000 0.257 255 K C -1.161 175.443 176.600 0.006 0.000 0.938 255 K CA -1.158 55.139 56.287 0.017 0.000 0.819 255 K CB 2.359 34.867 32.500 0.015 0.000 1.333 255 K HN 0.313 nan 8.250 nan 0.000 0.434 256 K N 2.093 122.497 120.400 0.006 0.000 2.316 256 K HA 0.158 4.478 4.320 0.000 0.000 0.289 256 K C -0.545 176.053 176.600 -0.004 0.000 1.070 256 K CA 0.040 56.326 56.287 -0.001 0.000 0.928 256 K CB 0.553 33.053 32.500 0.001 0.000 1.039 256 K HN 0.811 nan 8.250 nan 0.000 0.480 257 T N 0.622 115.171 114.554 -0.008 0.000 2.892 257 T HA 0.289 4.639 4.350 0.000 0.000 0.280 257 T C 1.469 176.163 174.700 -0.010 0.000 1.004 257 T CA -0.757 61.338 62.100 -0.008 0.000 0.950 257 T CB 0.324 69.186 68.868 -0.010 0.000 1.309 257 T HN 0.449 nan 8.240 nan 0.000 0.592 258 L N 0.088 121.305 121.223 -0.010 0.000 2.265 258 L HA 0.058 4.398 4.340 0.000 0.000 0.215 258 L C 0.801 177.662 176.870 -0.014 0.000 1.117 258 L CA 0.878 55.712 54.840 -0.010 0.000 0.782 258 L CB -0.237 41.817 42.059 -0.009 0.000 0.914 258 L HN 0.636 nan 8.230 nan 0.000 0.441 259 S N -0.207 115.483 115.700 -0.016 0.000 2.386 259 S HA 0.580 5.050 4.470 0.000 0.000 0.152 259 S C 0.042 174.627 174.600 -0.025 0.000 1.511 259 S CA -0.005 58.183 58.200 -0.021 0.000 1.246 259 S CB 1.250 64.439 63.200 -0.020 0.000 1.338 259 S HN 0.552 nan 8.310 nan 0.000 0.409 260 G N 1.630 110.414 108.800 -0.027 0.000 2.549 260 G HA2 -0.078 3.882 3.960 0.000 0.000 0.404 260 G HA3 -0.078 3.882 3.960 0.000 0.000 0.404 260 G C -1.241 173.642 174.900 -0.029 0.000 1.292 260 G CA -1.092 43.988 45.100 -0.033 0.000 0.935 260 G HN 0.529 nan 8.290 nan 0.000 0.512 261 L N -0.008 121.193 121.223 -0.036 0.000 2.352 261 L HA 0.767 5.107 4.340 0.000 0.000 0.269 261 L C 0.438 177.290 176.870 -0.032 0.000 1.034 261 L CA -0.720 54.100 54.840 -0.032 0.000 0.806 261 L CB 1.826 43.858 42.059 -0.045 0.000 1.244 261 L HN 0.771 nan 8.230 nan 0.000 0.447 262 E N 0.941 121.128 120.200 -0.022 0.000 2.185 262 E HA 0.444 4.794 4.350 0.000 0.000 0.261 262 E C -1.678 174.912 176.600 -0.016 0.000 0.879 262 E CA -0.586 55.802 56.400 -0.019 0.000 0.756 262 E CB 1.961 31.655 29.700 -0.010 0.000 1.152 262 E HN 0.292 nan 8.360 nan 0.000 0.416 263 V N 3.635 123.534 119.914 -0.025 0.000 2.370 263 V HA 0.306 4.426 4.120 0.000 0.000 0.279 263 V C -0.218 175.872 176.094 -0.007 0.000 1.029 263 V CA -0.628 61.658 62.300 -0.023 0.000 0.870 263 V CB 1.548 33.337 31.823 -0.057 0.000 0.984 263 V HN 0.649 nan 8.190 nan 0.000 0.451 264 S N 7.175 122.881 115.700 0.010 0.000 2.457 264 S HA 0.775 5.245 4.470 0.000 0.000 0.289 264 S C -0.226 174.388 174.600 0.023 0.000 1.163 264 S CA -0.615 57.595 58.200 0.015 0.000 1.078 264 S CB 0.966 64.179 63.200 0.022 0.000 0.987 264 S HN 0.801 nan 8.310 nan 0.000 0.482 265 M N 1.259 120.870 119.600 0.018 0.000 2.572 265 M HA 0.802 5.282 4.480 0.000 0.000 0.299 265 M C -1.667 174.648 176.300 0.024 0.000 1.205 265 M CA -0.994 54.321 55.300 0.025 0.000 0.876 265 M CB 1.633 34.243 32.600 0.017 0.000 1.728 265 M HN 0.203 nan 8.290 nan 0.000 0.458 266 V N 1.254 121.187 119.914 0.031 0.000 2.459 266 V HA 0.554 4.674 4.120 0.000 0.000 0.295 266 V C -0.419 175.697 176.094 0.036 0.000 1.029 266 V CA -0.348 61.969 62.300 0.028 0.000 0.874 266 V CB 1.908 33.747 31.823 0.026 0.000 0.985 266 V HN 0.993 nan 8.190 nan 0.000 0.438 267 T N 4.345 118.920 114.554 0.035 0.000 2.772 267 T HA 0.626 4.976 4.350 0.000 0.000 0.288 267 T C 0.013 174.737 174.700 0.040 0.000 0.994 267 T CA -0.230 61.904 62.100 0.056 0.000 0.951 267 T CB 1.299 70.199 68.868 0.053 0.000 0.933 267 T HN 0.846 nan 8.240 nan 0.000 0.447 268 A N 3.898 126.748 122.820 0.050 0.000 2.802 268 A HA 0.607 4.927 4.320 0.000 0.000 0.344 268 A C 0.020 177.531 177.584 -0.123 0.000 1.215 268 A CA -0.560 51.466 52.037 -0.019 0.000 0.821 268 A CB 0.171 19.161 19.000 -0.016 0.000 1.099 268 A HN 0.673 nan 8.150 nan 0.000 0.479 269 V N 3.369 123.177 119.914 -0.177 0.000 2.508 269 V HA 0.161 4.281 4.120 0.000 0.000 0.281 269 V C -2.044 173.793 176.094 -0.429 0.000 1.041 269 V CA -1.126 60.902 62.300 -0.453 0.000 1.016 269 V CB 0.872 32.568 31.823 -0.211 0.000 0.984 269 V HN 0.654 nan 8.190 nan 0.000 0.478 270 P HA 0.194 nan 4.420 nan 0.000 0.262 270 P C 0.877 178.051 177.300 -0.210 0.000 1.182 270 P CA 1.365 64.263 63.100 -0.336 0.000 0.761 270 P CB 0.488 31.984 31.700 -0.340 0.000 0.795 271 G N 1.933 110.653 108.800 -0.133 0.000 2.157 271 G HA2 -0.228 3.733 3.960 0.000 0.000 0.248 271 G HA3 -0.228 3.733 3.960 0.000 0.000 0.248 271 G C 0.159 175.013 174.900 -0.076 0.000 0.979 271 G CA -0.364 44.682 45.100 -0.089 0.000 0.650 271 G HN 0.579 nan 8.290 nan 0.000 0.529 272 R N -1.225 119.223 120.500 -0.087 0.000 2.855 272 R HA 0.719 5.059 4.340 0.000 0.000 0.266 272 R C -0.158 176.109 176.300 -0.056 0.000 1.034 272 R CA -1.064 54.998 56.100 -0.063 0.000 0.944 272 R CB 1.157 31.419 30.300 -0.064 0.000 1.219 272 R HN 0.107 nan 8.270 nan 0.000 0.474 273 L N 2.982 124.182 121.223 -0.038 0.000 2.395 273 L HA 0.348 4.688 4.340 0.000 0.000 0.269 273 L C -1.740 175.113 176.870 -0.028 0.000 1.133 273 L CA -1.819 53.003 54.840 -0.030 0.000 0.812 273 L CB 0.671 42.717 42.059 -0.021 0.000 1.125 273 L HN 0.322 nan 8.230 nan 0.000 0.452 274 P HA 0.039 nan 4.420 nan 0.000 0.268 274 P C -0.922 176.374 177.300 -0.006 0.000 1.205 274 P CA -0.018 63.073 63.100 -0.014 0.000 0.771 274 P CB 1.574 33.268 31.700 -0.010 0.000 0.858 275 V N 4.167 124.082 119.914 0.001 0.000 2.709 275 V HA 0.461 4.581 4.120 0.000 0.000 0.308 275 V C -0.617 175.482 176.094 0.008 0.000 1.062 275 V CA -1.010 61.292 62.300 0.003 0.000 0.901 275 V CB 1.939 33.763 31.823 0.003 0.000 1.003 275 V HN 0.428 nan 8.190 nan 0.000 0.425 276 M N 4.747 124.351 119.600 0.007 0.000 2.264 276 M HA 0.526 5.006 4.480 0.000 0.000 0.352 276 M C -0.428 175.876 176.300 0.007 0.000 1.173 276 M CA 0.036 55.342 55.300 0.009 0.000 1.075 276 M CB 1.596 34.201 32.600 0.009 0.000 1.621 276 M HN 0.859 nan 8.290 nan 0.000 0.457 277 T N 3.422 117.981 114.554 0.008 0.000 2.906 277 T HA 0.587 4.937 4.350 0.000 0.000 0.295 277 T C -1.047 173.654 174.700 0.002 0.000 1.061 277 T CA -0.628 61.474 62.100 0.004 0.000 1.000 277 T CB 2.044 70.915 68.868 0.004 0.000 1.103 277 T HN 0.549 nan 8.240 nan 0.000 0.486 278 M N 2.601 122.200 119.600 -0.002 0.000 2.167 278 M HA 0.552 5.032 4.480 0.000 0.000 0.333 278 M C -1.219 175.075 176.300 -0.010 0.000 1.030 278 M CA -0.590 54.707 55.300 -0.004 0.000 0.963 278 M CB 0.747 33.345 32.600 -0.004 0.000 1.589 278 M HN 0.482 nan 8.290 nan 0.000 0.431 279 I N 7.615 128.175 120.570 -0.017 0.000 2.307 279 I HA 0.405 4.575 4.170 0.000 0.000 0.289 279 I C -2.167 173.934 176.117 -0.027 0.000 1.021 279 I CA -1.587 59.699 61.300 -0.024 0.000 1.224 279 I CB 0.934 38.913 38.000 -0.035 0.000 1.376 279 I HN 0.441 nan 8.210 nan 0.000 0.470 280 P HA 0.261 nan 4.420 nan 0.000 0.285 280 P C -0.873 176.410 177.300 -0.028 0.000 1.285 280 P CA -0.234 62.852 63.100 -0.023 0.000 0.854 280 P CB 1.081 32.771 31.700 -0.017 0.000 1.180 281 D N -1.957 118.426 120.400 -0.028 0.000 2.708 281 D HA -0.107 4.534 4.640 0.000 0.000 0.236 281 D C -0.284 175.992 176.300 -0.040 0.000 1.146 281 D CA 0.667 54.648 54.000 -0.031 0.000 0.662 281 D CB -1.978 38.806 40.800 -0.027 0.000 1.059 281 D HN 0.064 nan 8.370 nan 0.000 0.428 282 V N 1.045 120.931 119.914 -0.047 0.000 2.461 282 V HA 0.068 4.188 4.120 0.000 0.000 0.275 282 V C 1.448 177.504 176.094 -0.064 0.000 1.047 282 V CA -0.202 62.062 62.300 -0.060 0.000 0.955 282 V CB 1.765 33.544 31.823 -0.073 0.000 0.988 282 V HN 0.028 nan 8.190 nan 0.000 0.471 283 D N 1.916 122.274 120.400 -0.070 0.000 2.216 283 D HA 0.041 4.681 4.640 0.000 0.000 0.208 283 D C 0.510 176.758 176.300 -0.087 0.000 0.960 283 D CA 0.883 54.837 54.000 -0.077 0.000 0.861 283 D CB 0.559 41.307 40.800 -0.086 0.000 0.985 283 D HN 0.548 nan 8.370 nan 0.000 0.493 284 C N 1.518 120.761 119.300 -0.094 0.000 2.446 284 C HA 0.584 5.044 4.460 0.000 0.000 0.329 284 C C -1.336 173.577 174.990 -0.129 0.000 1.166 284 C CA -0.932 58.026 59.018 -0.100 0.000 1.341 284 C CB -0.018 27.667 27.740 -0.093 0.000 1.970 284 C HN 0.122 nan 8.230 nan 0.000 0.452 285 L N 7.025 128.145 121.223 -0.171 0.000 2.298 285 L HA 0.717 5.057 4.340 0.000 0.000 0.284 285 L C -0.995 175.672 176.870 -0.339 0.000 1.013 285 L CA -0.184 54.476 54.840 -0.299 0.000 0.824 285 L CB 1.214 43.053 42.059 -0.368 0.000 1.221 285 L HN 0.789 nan 8.230 nan 0.000 0.418 286 L N 5.546 126.575 121.223 -0.322 0.000 2.319 286 L HA 0.498 4.838 4.340 0.000 0.000 0.281 286 L C -1.318 175.421 176.870 -0.218 0.000 1.005 286 L CA -0.423 54.293 54.840 -0.207 0.000 0.828 286 L CB 0.912 42.924 42.059 -0.078 0.000 1.227 286 L HN 0.685 nan 8.230 nan 0.000 0.415 287 W N 4.987 126.278 121.300 -0.015 0.000 2.345 287 W HA 0.507 5.167 4.660 0.000 0.000 0.308 287 W C 0.408 176.907 176.519 -0.032 0.000 1.273 287 W CA -0.591 56.743 57.345 -0.019 0.000 1.243 287 W CB 1.284 30.737 29.460 -0.011 0.000 1.260 287 W HN 0.594 nan 8.180 nan 0.000 0.509 288 A N 5.087 128.020 122.820 0.190 0.000 3.253 288 A HA 0.276 4.596 4.320 0.000 0.000 0.290 288 A C 0.482 178.112 177.584 0.076 0.000 0.950 288 A CA -0.442 51.636 52.037 0.069 0.000 0.986 288 A CB -0.704 18.281 19.000 -0.025 0.000 1.104 288 A HN 0.798 nan 8.150 nan 0.000 0.481 289 I N -3.813 116.832 120.570 0.124 0.000 3.860 289 I HA 0.615 4.785 4.170 0.000 0.000 0.319 289 I C 0.690 176.841 176.117 0.058 0.000 1.279 289 I CA 0.325 61.682 61.300 0.096 0.000 1.220 289 I CB 0.560 38.626 38.000 0.110 0.000 1.027 289 I HN 0.396 nan 8.210 nan 0.000 0.428 290 G N 0.968 109.797 108.800 0.048 0.000 2.320 290 G HA2 0.349 4.309 3.960 0.000 0.000 0.297 290 G HA3 0.349 4.309 3.960 0.000 0.000 0.297 290 G C -1.737 173.192 174.900 0.048 0.000 1.344 290 G CA -1.051 44.079 45.100 0.049 0.000 0.851 290 G HN 0.071 nan 8.290 nan 0.000 0.567 291 R N -0.892 119.648 120.500 0.067 0.000 2.686 291 R HA 0.764 5.104 4.340 0.000 0.000 0.286 291 R C -1.186 175.157 176.300 0.072 0.000 0.969 291 R CA -0.800 55.342 56.100 0.071 0.000 0.898 291 R CB 2.090 32.448 30.300 0.096 0.000 1.183 291 R HN 0.819 nan 8.270 nan 0.000 0.456 292 V N 3.788 123.726 119.914 0.040 0.000 2.680 292 V HA 0.553 4.673 4.120 0.000 0.000 0.309 292 V C -2.231 173.861 176.094 -0.004 0.000 1.052 292 V CA -2.521 59.776 62.300 -0.005 0.000 0.908 292 V CB 2.485 34.295 31.823 -0.021 0.000 1.001 292 V HN 0.596 nan 8.190 nan 0.000 0.431 293 P HA 0.165 nan 4.420 nan 0.000 0.274 293 P C -0.918 176.387 177.300 0.008 0.000 1.231 293 P CA -0.361 62.740 63.100 0.002 0.000 0.790 293 P CB 0.636 32.317 31.700 -0.031 0.000 0.951 294 N N 1.521 120.247 118.700 0.044 0.000 2.868 294 N HA 0.109 4.849 4.740 0.000 0.000 0.252 294 N C 0.563 176.114 175.510 0.068 0.000 1.130 294 N CA 0.211 53.293 53.050 0.053 0.000 1.026 294 N CB -0.168 38.355 38.487 0.060 0.000 1.335 294 N HN 0.447 nan 8.380 nan 0.000 0.516 295 T N -2.423 112.167 114.554 0.060 0.000 3.046 295 T HA 0.106 4.456 4.350 0.000 0.000 0.270 295 T C 1.450 176.199 174.700 0.082 0.000 0.920 295 T CA -0.284 61.862 62.100 0.077 0.000 0.874 295 T CB 0.328 69.231 68.868 0.059 0.000 1.214 295 T HN 0.126 nan 8.240 nan 0.000 0.536 296 K N 1.822 122.261 120.400 0.064 0.000 2.103 296 K HA -0.122 4.198 4.320 0.000 0.000 0.207 296 K C 0.522 177.173 176.600 0.086 0.000 1.048 296 K CA 1.638 57.960 56.287 0.058 0.000 0.930 296 K CB -0.260 32.263 32.500 0.037 0.000 0.716 296 K HN 0.354 nan 8.250 nan 0.000 0.444 297 D N 0.524 120.999 120.400 0.125 0.000 2.342 297 D HA 0.037 4.677 4.640 0.000 0.000 0.221 297 D C 1.350 177.814 176.300 0.273 0.000 1.101 297 D CA 0.057 54.161 54.000 0.174 0.000 0.837 297 D CB 0.380 41.250 40.800 0.117 0.000 0.938 297 D HN 0.230 nan 8.370 nan 0.000 0.508 298 L N -0.054 121.289 121.223 0.200 0.000 2.509 298 L HA -0.003 4.337 4.340 0.000 0.000 0.222 298 L C 0.530 177.557 176.870 0.263 0.000 1.123 298 L CA 0.161 55.115 54.840 0.191 0.000 0.856 298 L CB -0.073 42.120 42.059 0.223 0.000 0.985 298 L HN -0.152 nan 8.230 nan 0.000 0.456 299 S N -0.154 115.666 115.700 0.200 0.000 3.749 299 S HA -0.167 4.303 4.470 0.000 0.000 0.348 299 S C 1.206 175.911 174.600 0.174 0.000 1.045 299 S CA 0.188 58.491 58.200 0.172 0.000 1.051 299 S CB -1.759 61.546 63.200 0.174 0.000 0.898 299 S HN 0.343 nan 8.310 nan 0.000 0.472 300 L N 1.291 122.597 121.223 0.138 0.000 2.079 300 L HA -0.225 4.115 4.340 0.000 0.000 0.210 300 L C 2.567 179.412 176.870 -0.042 0.000 1.081 300 L CA 1.881 56.728 54.840 0.013 0.000 0.752 300 L CB -0.634 41.434 42.059 0.015 0.000 0.896 300 L HN 0.703 nan 8.230 nan 0.000 0.433 301 N N 0.790 119.492 118.700 0.004 0.000 2.272 301 N HA -0.254 4.487 4.740 0.000 0.000 0.185 301 N C 1.481 176.984 175.510 -0.013 0.000 1.014 301 N CA 1.333 54.380 53.050 -0.006 0.000 0.870 301 N CB -0.376 38.118 38.487 0.011 0.000 0.975 301 N HN 0.418 nan 8.380 nan 0.000 0.433 302 K N 0.243 120.646 120.400 0.004 0.000 2.280 302 K HA 0.074 4.394 4.320 0.000 0.000 0.202 302 K C 1.593 178.174 176.600 -0.033 0.000 1.047 302 K CA 0.725 57.017 56.287 0.008 0.000 0.942 302 K CB 0.068 32.602 32.500 0.057 0.000 0.739 302 K HN 0.253 nan 8.250 nan 0.000 0.457 303 L N -1.002 120.162 121.223 -0.098 0.000 2.766 303 L HA 0.206 4.546 4.340 0.000 0.000 0.242 303 L C 0.715 177.512 176.870 -0.122 0.000 1.136 303 L CA -0.060 54.695 54.840 -0.141 0.000 0.933 303 L CB 0.794 42.682 42.059 -0.285 0.000 1.241 303 L HN 0.298 nan 8.230 nan 0.000 0.522 304 G N 1.648 110.391 108.800 -0.094 0.000 2.198 304 G HA2 -0.281 3.679 3.960 0.000 0.000 0.257 304 G HA3 -0.281 3.679 3.960 0.000 0.000 0.257 304 G C 0.126 174.976 174.900 -0.084 0.000 1.042 304 G CA -0.169 44.889 45.100 -0.071 0.000 0.791 304 G HN 0.284 nan 8.290 nan 0.000 0.502 305 I N 0.750 121.250 120.570 -0.116 0.000 2.452 305 I HA 0.100 4.270 4.170 0.000 0.000 0.287 305 I C 1.230 177.313 176.117 -0.057 0.000 1.079 305 I CA -0.063 61.169 61.300 -0.113 0.000 1.387 305 I CB 0.734 38.628 38.000 -0.176 0.000 1.404 305 I HN 0.227 nan 8.210 nan 0.000 0.522 306 Q N 5.026 124.803 119.800 -0.039 0.000 2.337 306 Q HA 0.177 4.517 4.340 0.000 0.000 0.270 306 Q C -0.057 175.945 176.000 0.002 0.000 1.002 306 Q CA 0.250 56.044 55.803 -0.016 0.000 0.888 306 Q CB 0.916 29.648 28.738 -0.010 0.000 1.222 306 Q HN 0.734 nan 8.270 nan 0.000 0.400 307 T N -1.384 113.176 114.554 0.010 0.000 2.883 307 T HA 0.428 4.778 4.350 0.000 0.000 0.296 307 T C -0.654 174.064 174.700 0.030 0.000 1.117 307 T CA -1.158 60.959 62.100 0.028 0.000 1.006 307 T CB 1.548 70.427 68.868 0.019 0.000 1.191 307 T HN 0.552 nan 8.240 nan 0.000 0.508 308 D N -0.226 120.206 120.400 0.052 0.000 2.511 308 D HA 0.222 4.862 4.640 0.000 0.000 0.276 308 D C 0.806 177.120 176.300 0.023 0.000 1.220 308 D CA -0.530 53.499 54.000 0.049 0.000 1.077 308 D CB 0.124 40.979 40.800 0.091 0.000 1.126 308 D HN 0.588 nan 8.370 nan 0.000 0.583 309 D N -1.020 119.391 120.400 0.018 0.000 2.310 309 D HA -0.147 4.493 4.640 0.000 0.000 0.212 309 D C 0.934 177.218 176.300 -0.026 0.000 0.965 309 D CA 0.761 54.759 54.000 -0.003 0.000 0.879 309 D CB -0.147 40.652 40.800 -0.002 0.000 0.921 309 D HN 0.183 nan 8.370 nan 0.000 0.510 310 K N -0.343 120.033 120.400 -0.041 0.000 2.444 310 K HA 0.228 4.548 4.320 0.000 0.000 0.193 310 K C 1.468 177.925 176.600 -0.239 0.000 1.024 310 K CA 0.645 56.852 56.287 -0.133 0.000 1.077 310 K CB 0.545 32.952 32.500 -0.155 0.000 0.833 310 K HN 0.364 nan 8.250 nan 0.000 0.517 311 G N 1.510 110.217 108.800 -0.155 0.000 2.175 311 G HA2 -0.243 3.717 3.960 0.000 0.000 0.244 311 G HA3 -0.243 3.717 3.960 0.000 0.000 0.244 311 G C -0.297 174.534 174.900 -0.115 0.000 0.982 311 G CA -0.063 44.963 45.100 -0.124 0.000 0.641 311 G HN 0.496 nan 8.290 nan 0.000 0.527 312 H N -0.217 118.865 119.070 0.020 0.000 2.707 312 H HA 0.525 5.081 4.556 0.000 0.000 0.359 312 H C 1.044 176.383 175.328 0.019 0.000 1.113 312 H CA -0.029 56.032 56.048 0.022 0.000 1.422 312 H CB 0.883 30.654 29.762 0.014 0.000 1.443 312 H HN 0.264 nan 8.280 nan 0.000 0.591 313 I N 3.818 124.486 120.570 0.164 0.000 2.441 313 I HA 0.015 4.185 4.170 0.000 0.000 0.287 313 I C -0.033 176.130 176.117 0.077 0.000 1.049 313 I CA -0.305 61.052 61.300 0.094 0.000 1.381 313 I CB 0.619 38.671 38.000 0.086 0.000 1.409 313 I HN 0.354 nan 8.210 nan 0.000 0.523 314 I N 7.307 127.906 120.570 0.048 0.000 2.441 314 I HA 0.289 4.459 4.170 0.000 0.000 0.287 314 I C 0.242 176.374 176.117 0.026 0.000 1.049 314 I CA -0.134 61.181 61.300 0.026 0.000 1.381 314 I CB 0.957 38.967 38.000 0.017 0.000 1.409 314 I HN 0.289 nan 8.210 nan 0.000 0.523 315 V N 2.688 122.614 119.914 0.019 0.000 3.130 315 V HA 0.695 4.815 4.120 0.000 0.000 0.310 315 V C -0.613 175.499 176.094 0.030 0.000 1.158 315 V CA -0.967 61.359 62.300 0.044 0.000 1.029 315 V CB 2.125 33.991 31.823 0.072 0.000 1.057 315 V HN 0.723 nan 8.190 nan 0.000 0.436 316 D N 0.659 121.102 120.400 0.072 0.000 2.507 316 D HA 0.197 4.838 4.640 0.000 0.000 0.280 316 D C 1.063 177.383 176.300 0.034 0.000 1.219 316 D CA 0.186 54.225 54.000 0.064 0.000 1.085 316 D CB 0.312 41.190 40.800 0.130 0.000 1.134 316 D HN 0.837 nan 8.370 nan 0.000 0.583 317 E N -0.843 119.336 120.200 -0.035 0.000 2.338 317 E HA -0.141 4.209 4.350 0.000 0.000 0.197 317 E C 0.775 177.225 176.600 -0.251 0.000 1.007 317 E CA 0.735 57.021 56.400 -0.189 0.000 0.849 317 E CB -0.502 28.987 29.700 -0.352 0.000 0.774 317 E HN 0.403 nan 8.360 nan 0.000 0.506 318 F N 0.912 120.916 119.950 0.091 0.000 2.664 318 F HA 0.212 4.739 4.527 0.000 0.000 0.303 318 F C 0.420 176.295 175.800 0.126 0.000 1.092 318 F CA -0.189 57.867 58.000 0.093 0.000 1.305 318 F CB 0.599 39.646 39.000 0.077 0.000 1.054 318 F HN -0.170 nan 8.300 nan 0.000 0.565 319 Q N -1.087 118.873 119.800 0.267 0.000 2.424 319 Q HA -0.205 4.135 4.340 0.000 0.000 0.234 319 Q C -0.786 175.411 176.000 0.328 0.000 0.748 319 Q CA 0.399 56.355 55.803 0.254 0.000 1.286 319 Q CB -2.409 26.476 28.738 0.245 0.000 1.494 319 Q HN 0.372 nan 8.270 nan 0.000 0.683 320 N N 1.800 120.698 118.700 0.329 0.000 2.530 320 N HA 0.199 4.939 4.740 0.000 0.000 0.273 320 N C 0.846 176.426 175.510 0.117 0.000 1.173 320 N CA 0.843 54.053 53.050 0.266 0.000 0.967 320 N CB 0.957 39.579 38.487 0.225 0.000 1.109 320 N HN 0.386 nan 8.380 nan 0.000 0.453 321 T N -1.402 113.161 114.554 0.016 0.000 2.891 321 T HA 0.142 4.492 4.350 0.000 0.000 0.294 321 T C 1.304 175.990 174.700 -0.024 0.000 1.065 321 T CA -0.622 61.472 62.100 -0.010 0.000 0.936 321 T CB 0.341 69.175 68.868 -0.057 0.000 1.415 321 T HN 0.526 nan 8.240 nan 0.000 0.572 322 N N -0.452 118.227 118.700 -0.036 0.000 2.515 322 N HA 0.002 4.742 4.740 0.000 0.000 0.185 322 N C -0.015 175.462 175.510 -0.055 0.000 1.109 322 N CA 0.057 53.087 53.050 -0.033 0.000 0.903 322 N CB -0.350 38.120 38.487 -0.029 0.000 0.969 322 N HN 0.385 nan 8.380 nan 0.000 0.450 323 V N 1.283 121.142 119.914 -0.091 0.000 2.398 323 V HA 0.211 4.332 4.120 0.000 0.000 0.286 323 V C 0.298 176.310 176.094 -0.138 0.000 1.026 323 V CA -1.050 61.182 62.300 -0.112 0.000 0.868 323 V CB 1.340 33.071 31.823 -0.153 0.000 0.982 323 V HN 0.012 nan 8.190 nan 0.000 0.443 324 K N 2.968 123.307 120.400 -0.102 0.000 2.484 324 K HA 0.387 4.707 4.320 0.000 0.000 0.280 324 K C 1.243 177.756 176.600 -0.145 0.000 1.013 324 K CA 1.102 57.329 56.287 -0.100 0.000 1.029 324 K CB 0.326 32.800 32.500 -0.045 0.000 0.902 324 K HN 1.133 nan 8.250 nan 0.000 0.481 325 G N 2.411 111.088 108.800 -0.205 0.000 2.176 325 G HA2 -0.246 3.714 3.960 0.000 0.000 0.253 325 G HA3 -0.246 3.714 3.960 0.000 0.000 0.253 325 G C 0.033 174.693 174.900 -0.400 0.000 0.979 325 G CA -0.236 44.753 45.100 -0.186 0.000 0.641 325 G HN 0.522 nan 8.290 nan 0.000 0.530 326 I N 0.271 120.450 120.570 -0.652 0.000 2.436 326 I HA 0.593 4.763 4.170 0.000 0.000 0.289 326 I C -0.271 175.438 176.117 -0.679 0.000 1.010 326 I CA -1.079 59.931 61.300 -0.483 0.000 1.098 326 I CB 1.457 39.324 38.000 -0.222 0.000 1.266 326 I HN 0.038 nan 8.210 nan 0.000 0.434 327 Y N 3.881 124.272 120.300 0.152 0.000 2.633 327 Y HA 0.854 5.404 4.550 0.000 0.000 0.339 327 Y C 0.042 176.020 175.900 0.130 0.000 1.045 327 Y CA -1.186 57.000 58.100 0.143 0.000 1.098 327 Y CB 1.878 40.445 38.460 0.178 0.000 1.296 327 Y HN 0.576 nan 8.280 nan 0.000 0.494 328 A N 0.794 123.780 122.820 0.277 0.000 2.517 328 A HA 0.810 5.130 4.320 0.000 0.000 0.297 328 A C -1.476 176.216 177.584 0.179 0.000 1.050 328 A CA -0.562 51.589 52.037 0.191 0.000 0.694 328 A CB 1.097 20.180 19.000 0.137 0.000 1.277 328 A HN 1.153 nan 8.150 nan 0.000 0.400 329 V N -0.526 119.480 119.914 0.153 0.000 3.130 329 V HA 1.026 5.146 4.120 0.000 0.000 0.310 329 V C 0.453 176.617 176.094 0.117 0.000 1.158 329 V CA 0.152 62.538 62.300 0.144 0.000 1.029 329 V CB 0.945 32.853 31.823 0.141 0.000 1.057 329 V HN 2.959 nan 8.190 nan 0.000 0.436 330 G N 1.786 110.658 108.800 0.120 0.000 2.615 330 G HA2 -0.167 3.794 3.960 0.000 0.000 0.218 330 G HA3 -0.167 3.794 3.960 0.000 0.000 0.218 330 G C -0.040 174.917 174.900 0.095 0.000 1.339 330 G CA 0.555 45.714 45.100 0.099 0.000 0.884 330 G HN 1.061 nan 8.290 nan 0.000 0.559 331 D N -0.737 119.716 120.400 0.089 0.000 2.190 331 D HA -0.059 4.581 4.640 0.000 0.000 0.200 331 D C 2.483 178.862 176.300 0.131 0.000 0.992 331 D CA 1.393 55.453 54.000 0.099 0.000 0.854 331 D CB -0.193 40.666 40.800 0.099 0.000 0.936 331 D HN 0.528 nan 8.370 nan 0.000 0.462 332 V N -0.149 119.842 119.914 0.128 0.000 2.720 332 V HA -0.231 3.889 4.120 0.000 0.000 0.256 332 V C 1.776 177.991 176.094 0.202 0.000 1.082 332 V CA 1.318 63.716 62.300 0.163 0.000 1.101 332 V CB -0.227 31.668 31.823 0.120 0.000 0.693 332 V HN 0.335 nan 8.190 nan 0.000 0.479 333 C N 0.320 119.686 119.300 0.111 0.000 2.618 333 C HA 0.420 4.880 4.460 0.000 0.000 0.264 333 C C 2.032 176.924 174.990 -0.162 0.000 1.334 333 C CA 0.140 59.176 59.018 0.030 0.000 1.731 333 C CB -0.984 26.763 27.740 0.012 0.000 1.852 333 C HN 0.832 nan 8.230 nan 0.000 0.566 334 G N 1.771 110.452 108.800 -0.198 0.000 2.166 334 G HA2 -0.282 3.678 3.960 0.000 0.000 0.260 334 G HA3 -0.282 3.678 3.960 0.000 0.000 0.260 334 G C -0.058 174.653 174.900 -0.314 0.000 0.986 334 G CA 0.891 45.659 45.100 -0.554 0.000 0.683 334 G HN 0.742 nan 8.290 nan 0.000 0.527 335 K N -1.605 118.694 120.400 -0.169 0.000 2.397 335 K HA 0.781 5.101 4.320 0.000 0.000 0.253 335 K C 0.416 177.018 176.600 0.003 0.000 0.932 335 K CA -0.139 56.075 56.287 -0.122 0.000 0.795 335 K CB 2.058 34.426 32.500 -0.220 0.000 1.159 335 K HN 1.703 nan 8.250 nan 0.000 0.424 336 A N 3.501 126.342 122.820 0.034 0.000 2.303 336 A HA -0.125 4.195 4.320 0.000 0.000 0.286 336 A C -0.157 177.479 177.584 0.086 0.000 1.429 336 A CA 0.333 52.422 52.037 0.086 0.000 0.738 336 A CB -2.052 17.064 19.000 0.194 0.000 1.149 336 A HN 0.751 nan 8.150 nan 0.000 0.364 337 L N 1.013 122.281 121.223 0.076 0.000 2.388 337 L HA 0.311 4.651 4.340 0.000 0.000 0.252 337 L C 0.259 177.185 176.870 0.094 0.000 1.357 337 L CA 0.358 55.256 54.840 0.097 0.000 1.214 337 L CB -0.701 41.435 42.059 0.128 0.000 1.392 337 L HN 0.561 nan 8.230 nan 0.000 0.432 338 L N -0.241 121.020 121.223 0.064 0.000 2.371 338 L HA 0.369 4.709 4.340 0.000 0.000 0.262 338 L C 1.218 178.112 176.870 0.039 0.000 1.006 338 L CA -0.463 54.400 54.840 0.039 0.000 0.818 338 L CB 2.177 44.234 42.059 -0.003 0.000 1.354 338 L HN 0.026 nan 8.230 nan 0.000 0.415 339 T N 0.861 115.436 114.554 0.035 0.000 2.708 339 T HA -0.054 4.296 4.350 0.000 0.000 0.266 339 T C -1.133 173.576 174.700 0.015 0.000 1.037 339 T CA 1.740 63.855 62.100 0.025 0.000 1.146 339 T CB -0.445 68.436 68.868 0.022 0.000 0.865 339 T HN 0.454 nan 8.240 nan 0.000 0.435 340 P HA 0.030 nan 4.420 nan 0.000 0.222 340 P C 1.395 178.681 177.300 -0.023 0.000 1.147 340 P CA 0.469 63.566 63.100 -0.005 0.000 0.790 340 P CB -0.086 31.608 31.700 -0.010 0.000 0.780 341 V N 0.109 120.009 119.914 -0.023 0.000 2.379 341 V HA -0.192 3.929 4.120 0.000 0.000 0.245 341 V C 2.450 178.537 176.094 -0.013 0.000 1.044 341 V CA 2.117 64.388 62.300 -0.049 0.000 1.036 341 V CB -1.667 30.153 31.823 -0.005 0.000 0.664 341 V HN 0.093 nan 8.190 nan 0.000 0.453 342 A N 0.094 122.931 122.820 0.028 0.000 1.902 342 A HA -0.175 4.145 4.320 0.000 0.000 0.217 342 A C 2.199 179.803 177.584 0.033 0.000 1.181 342 A CA 1.927 53.992 52.037 0.047 0.000 0.623 342 A CB -0.551 18.476 19.000 0.046 0.000 0.818 342 A HN 0.489 nan 8.150 nan 0.000 0.443 343 I N -0.341 120.240 120.570 0.018 0.000 2.142 343 I HA -0.295 3.875 4.170 0.000 0.000 0.240 343 I C 3.007 179.133 176.117 0.016 0.000 1.078 343 I CA 1.174 62.486 61.300 0.021 0.000 1.343 343 I CB -0.383 37.628 38.000 0.018 0.000 1.046 343 I HN 0.369 nan 8.210 nan 0.000 0.405 344 A N 0.645 123.457 122.820 -0.014 0.000 1.902 344 A HA -0.152 4.168 4.320 0.000 0.000 0.217 344 A C 2.525 180.093 177.584 -0.028 0.000 1.181 344 A CA 1.852 53.868 52.037 -0.034 0.000 0.623 344 A CB -0.849 18.099 19.000 -0.086 0.000 0.818 344 A HN 0.443 nan 8.150 nan 0.000 0.443 345 A N -0.497 122.303 122.820 -0.032 0.000 1.902 345 A HA 0.136 4.456 4.320 0.000 0.000 0.217 345 A C 2.403 180.023 177.584 0.060 0.000 1.181 345 A CA 1.896 53.941 52.037 0.012 0.000 0.623 345 A CB -1.356 17.684 19.000 0.068 0.000 0.818 345 A HN 0.718 nan 8.150 nan 0.000 0.443 346 G N -0.602 108.238 108.800 0.067 0.000 2.418 346 G HA2 -0.215 3.745 3.960 0.000 0.000 0.217 346 G HA3 -0.215 3.745 3.960 0.000 0.000 0.217 346 G C 1.797 176.751 174.900 0.090 0.000 1.158 346 G CA 0.907 46.062 45.100 0.091 0.000 0.771 346 G HN 0.562 nan 8.290 nan 0.000 0.545 347 R N 0.011 120.560 120.500 0.082 0.000 2.073 347 R HA 0.049 4.389 4.340 0.000 0.000 0.229 347 R C 2.601 179.007 176.300 0.177 0.000 1.120 347 R CA 0.934 57.105 56.100 0.119 0.000 0.967 347 R CB -0.133 30.242 30.300 0.124 0.000 0.862 347 R HN 0.102 nan 8.270 nan 0.000 0.436 348 K N 0.801 121.267 120.400 0.110 0.000 2.147 348 K HA -0.146 4.174 4.320 0.000 0.000 0.205 348 K C 2.028 178.674 176.600 0.076 0.000 1.049 348 K CA 0.880 57.224 56.287 0.094 0.000 0.936 348 K CB -0.333 32.187 32.500 0.034 0.000 0.722 348 K HN 0.107 nan 8.250 nan 0.000 0.446 349 L N 0.980 122.226 121.223 0.037 0.000 2.056 349 L HA -0.045 4.295 4.340 0.000 0.000 0.207 349 L C 2.189 178.957 176.870 -0.170 0.000 1.078 349 L CA 1.798 56.602 54.840 -0.059 0.000 0.749 349 L CB -0.779 41.257 42.059 -0.039 0.000 0.901 349 L HN 0.115 nan 8.230 nan 0.000 0.433 350 A N -1.314 121.450 122.820 -0.094 0.000 1.908 350 A HA -0.258 4.062 4.320 0.000 0.000 0.218 350 A C 2.231 179.685 177.584 -0.218 0.000 1.181 350 A CA 1.830 53.778 52.037 -0.147 0.000 0.627 350 A CB -1.020 17.918 19.000 -0.104 0.000 0.818 350 A HN 0.678 nan 8.150 nan 0.000 0.445 351 H N -1.108 117.899 119.070 -0.104 0.000 2.423 351 H HA -0.088 4.468 4.556 0.000 0.000 0.297 351 H C 2.307 177.517 175.328 -0.196 0.000 1.075 351 H CA 1.710 57.691 56.048 -0.112 0.000 1.342 351 H CB -0.057 29.669 29.762 -0.059 0.000 1.395 351 H HN 0.577 nan 8.280 nan 0.000 0.530 352 R N 0.867 121.299 120.500 -0.114 0.000 2.075 352 R HA -0.056 4.285 4.340 0.000 0.000 0.232 352 R C 2.272 178.304 176.300 -0.446 0.000 1.126 352 R CA 0.796 56.776 56.100 -0.200 0.000 0.963 352 R CB -0.018 30.200 30.300 -0.136 0.000 0.858 352 R HN 0.200 nan 8.270 nan 0.000 0.435 353 L N -0.835 119.961 121.223 -0.712 0.000 2.095 353 L HA 0.016 4.357 4.340 0.000 0.000 0.204 353 L C 1.498 177.454 176.870 -1.523 0.000 1.080 353 L CA 0.849 54.957 54.840 -1.219 0.000 0.759 353 L CB -0.147 40.822 42.059 -1.817 0.000 0.914 353 L HN 0.157 nan 8.230 nan 0.000 0.439 354 F N -0.973 118.552 119.950 -0.708 0.000 2.720 354 F HA 0.108 4.635 4.527 0.000 0.000 0.301 354 F C 2.101 177.515 175.800 -0.643 0.000 1.103 354 F CA 0.075 57.670 58.000 -0.675 0.000 1.291 354 F CB 0.124 38.844 39.000 -0.466 0.000 1.086 354 F HN -0.001 nan 8.300 nan 0.000 0.592 355 E N -1.221 118.716 120.200 -0.439 0.000 2.562 355 E HA 0.033 4.383 4.350 0.000 0.000 0.214 355 E C -0.213 176.343 176.600 -0.073 0.000 0.979 355 E CA 0.036 56.345 56.400 -0.152 0.000 1.002 355 E CB 0.177 29.896 29.700 0.033 0.000 1.048 355 E HN 0.288 nan 8.360 nan 0.000 0.488 356 Y N -0.550 119.712 120.300 -0.064 0.000 4.177 356 Y HA -0.271 4.279 4.550 0.000 0.000 0.227 356 Y C -0.327 175.548 175.900 -0.043 0.000 1.154 356 Y CA 0.716 58.774 58.100 -0.070 0.000 1.887 356 Y CB -2.209 36.225 38.460 -0.044 0.000 1.594 356 Y HN -0.001 nan 8.280 nan 0.000 0.668 357 K N 1.812 122.225 120.400 0.021 0.000 2.150 357 K HA 0.117 4.437 4.320 0.000 0.000 0.261 357 K C 1.027 177.634 176.600 0.011 0.000 1.127 357 K CA 0.286 56.595 56.287 0.037 0.000 0.989 357 K CB 0.151 32.678 32.500 0.044 0.000 1.475 357 K HN 0.560 nan 8.250 nan 0.000 0.391 358 E N 1.370 121.571 120.200 0.002 0.000 2.401 358 E HA -0.216 4.134 4.350 0.000 0.000 0.199 358 E C 0.584 177.189 176.600 0.008 0.000 1.023 358 E CA 1.216 57.581 56.400 -0.059 0.000 0.859 358 E CB 0.063 29.714 29.700 -0.082 0.000 0.780 358 E HN 0.500 nan 8.360 nan 0.000 0.523 359 D N 0.909 121.372 120.400 0.105 0.000 2.349 359 D HA -0.032 4.608 4.640 0.000 0.000 0.214 359 D C 0.198 176.634 176.300 0.228 0.000 1.063 359 D CA -0.149 53.982 54.000 0.218 0.000 0.847 359 D CB 0.154 41.028 40.800 0.125 0.000 0.933 359 D HN 0.005 nan 8.370 nan 0.000 0.513 360 S N 0.646 116.450 115.700 0.174 0.000 2.443 360 S HA 0.277 4.747 4.470 0.000 0.000 0.284 360 S C -0.214 174.500 174.600 0.189 0.000 1.206 360 S CA -0.411 57.863 58.200 0.123 0.000 1.074 360 S CB -0.197 63.048 63.200 0.077 0.000 0.963 360 S HN 0.434 nan 8.310 nan 0.000 0.501 361 K N 3.047 123.501 120.400 0.091 0.000 2.597 361 K HA 0.496 4.817 4.320 0.000 0.000 0.282 361 K C -1.710 174.865 176.600 -0.042 0.000 0.975 361 K CA -1.140 55.164 56.287 0.029 0.000 0.867 361 K CB 0.523 32.934 32.500 -0.148 0.000 1.465 361 K HN 0.374 nan 8.250 nan 0.000 0.417 362 L N 1.567 122.750 121.223 -0.067 0.000 2.326 362 L HA 0.364 4.704 4.340 0.000 0.000 0.278 362 L C -0.829 175.938 176.870 -0.172 0.000 1.092 362 L CA 0.348 55.079 54.840 -0.182 0.000 0.810 362 L CB 1.138 42.977 42.059 -0.367 0.000 1.153 362 L HN 0.753 nan 8.230 nan 0.000 0.439 363 D N 2.826 123.127 120.400 -0.165 0.000 2.347 363 D HA 0.089 4.729 4.640 0.000 0.000 0.235 363 D C 0.006 176.231 176.300 -0.126 0.000 1.149 363 D CA 0.161 54.115 54.000 -0.077 0.000 0.850 363 D CB 0.445 41.212 40.800 -0.056 0.000 1.061 363 D HN 0.487 nan 8.370 nan 0.000 0.487 364 Y N 2.106 122.376 120.300 -0.051 0.000 2.553 364 Y HA 0.115 4.665 4.550 0.000 0.000 0.303 364 Y C 0.421 176.297 175.900 -0.039 0.000 1.194 364 Y CA -0.050 58.024 58.100 -0.044 0.000 1.305 364 Y CB -0.392 38.039 38.460 -0.048 0.000 1.045 364 Y HN 0.300 nan 8.280 nan 0.000 0.514 365 N N -0.008 118.728 118.700 0.061 0.000 2.492 365 N HA 0.163 4.903 4.740 0.000 0.000 0.289 365 N C -0.378 175.135 175.510 0.005 0.000 1.133 365 N CA -0.502 52.569 53.050 0.035 0.000 0.961 365 N CB 0.368 38.874 38.487 0.031 0.000 1.186 365 N HN 0.114 nan 8.380 nan 0.000 0.493 366 N N -0.425 118.277 118.700 0.004 0.000 2.735 366 N HA -0.186 4.555 4.740 0.000 0.000 0.248 366 N C -1.197 174.297 175.510 -0.026 0.000 1.083 366 N CA 0.075 53.120 53.050 -0.008 0.000 0.703 366 N CB -1.116 37.373 38.487 0.002 0.000 1.005 366 N HN 0.455 nan 8.380 nan 0.000 0.550 367 I N 1.598 122.148 120.570 -0.034 0.000 2.371 367 I HA 0.257 4.427 4.170 0.000 0.000 0.290 367 I C -1.634 174.450 176.117 -0.055 0.000 1.028 367 I CA -1.593 59.677 61.300 -0.050 0.000 1.345 367 I CB 0.683 38.655 38.000 -0.046 0.000 1.407 367 I HN -0.084 nan 8.210 nan 0.000 0.501 368 P HA 0.349 nan 4.420 nan 0.000 0.286 368 P C -1.041 176.215 177.300 -0.074 0.000 1.261 368 P CA -0.354 62.713 63.100 -0.055 0.000 0.821 368 P CB 1.612 33.294 31.700 -0.031 0.000 1.013 369 T N 0.595 115.095 114.554 -0.090 0.000 2.912 369 T HA 0.418 4.768 4.350 0.000 0.000 0.299 369 T C -0.661 173.963 174.700 -0.128 0.000 1.052 369 T CA -0.471 61.559 62.100 -0.116 0.000 0.996 369 T CB 1.493 70.280 68.868 -0.136 0.000 1.070 369 T HN 0.130 nan 8.240 nan 0.000 0.465 370 V N 2.646 122.432 119.914 -0.214 0.000 2.487 370 V HA 0.516 4.636 4.120 0.000 0.000 0.298 370 V C -0.487 175.303 176.094 -0.507 0.000 1.028 370 V CA -0.734 61.332 62.300 -0.390 0.000 0.860 370 V CB 2.015 33.485 31.823 -0.588 0.000 0.991 370 V HN 0.760 nan 8.190 nan 0.000 0.427 371 V N 5.359 125.014 119.914 -0.432 0.000 2.370 371 V HA 0.386 4.506 4.120 0.000 0.000 0.283 371 V C -0.207 175.565 176.094 -0.536 0.000 1.023 371 V CA -0.359 61.749 62.300 -0.319 0.000 0.857 371 V CB 1.274 33.008 31.823 -0.147 0.000 0.985 371 V HN 0.741 nan 8.190 nan 0.000 0.443 372 F N 3.900 123.655 119.950 -0.326 0.000 2.666 372 F HA 0.201 4.729 4.527 0.000 0.000 0.362 372 F C 1.439 177.010 175.800 -0.383 0.000 1.190 372 F CA -0.147 57.419 58.000 -0.722 0.000 1.328 372 F CB -0.375 37.925 39.000 -1.166 0.000 1.682 372 F HN 0.586 nan 8.300 nan 0.000 0.623 373 S N -0.826 114.810 115.700 -0.106 0.000 2.623 373 S HA 0.437 4.908 4.470 0.000 0.000 0.278 373 S C -0.399 174.199 174.600 -0.004 0.000 1.148 373 S CA -0.791 57.406 58.200 -0.005 0.000 1.028 373 S CB 0.854 64.050 63.200 -0.006 0.000 1.145 373 S HN 0.356 nan 8.310 nan 0.000 0.523 374 H N 1.184 120.393 119.070 0.231 0.000 2.860 374 H HA 0.455 5.011 4.556 0.000 0.000 0.312 374 H C -2.745 172.623 175.328 0.066 0.000 0.995 374 H CA -1.478 54.667 56.048 0.161 0.000 1.311 374 H CB 0.939 30.737 29.762 0.060 0.000 1.478 374 H HN 0.438 nan 8.280 nan 0.000 0.508 375 P HA 0.115 nan 4.420 nan 0.000 0.274 375 P C -2.478 174.892 177.300 0.115 0.000 1.246 375 P CA -1.426 61.764 63.100 0.151 0.000 0.795 375 P CB 0.228 31.985 31.700 0.096 0.000 1.006 376 P HA 0.198 nan 4.420 nan 0.000 0.274 376 P C -0.548 176.696 177.300 -0.095 0.000 1.237 376 P CA 0.282 63.347 63.100 -0.058 0.000 0.793 376 P CB 0.669 32.279 31.700 -0.150 0.000 0.977 377 I N 0.436 120.903 120.570 -0.172 0.000 2.493 377 I HA 0.558 4.728 4.170 0.000 0.000 0.298 377 I C 0.751 176.802 176.117 -0.111 0.000 0.998 377 I CA -0.458 60.789 61.300 -0.089 0.000 1.137 377 I CB 2.046 40.016 38.000 -0.051 0.000 1.310 377 I HN 0.355 nan 8.210 nan 0.000 0.445 378 G N 2.379 111.159 108.800 -0.032 0.000 2.590 378 G HA2 0.615 4.575 3.960 0.000 0.000 0.310 378 G HA3 0.615 4.575 3.960 0.000 0.000 0.310 378 G C -1.220 173.691 174.900 0.018 0.000 1.347 378 G CA -0.354 44.724 45.100 -0.036 0.000 0.963 378 G HN 0.475 nan 8.290 nan 0.000 0.494 379 T N -0.219 114.336 114.554 0.001 0.000 2.956 379 T HA 0.642 4.992 4.350 0.000 0.000 0.312 379 T C -1.673 172.980 174.700 -0.077 0.000 1.151 379 T CA -0.483 61.611 62.100 -0.009 0.000 1.024 379 T CB 1.893 70.811 68.868 0.084 0.000 1.140 379 T HN 1.181 nan 8.240 nan 0.000 0.473 380 V N 4.159 123.991 119.914 -0.136 0.000 2.891 380 V HA 0.823 4.943 4.120 0.000 0.000 0.304 380 V C 0.270 176.290 176.094 -0.123 0.000 1.171 380 V CA 1.113 63.353 62.300 -0.100 0.000 0.943 380 V CB 1.051 32.844 31.823 -0.050 0.000 1.037 380 V HN 1.801 nan 8.190 nan 0.000 0.427 381 G N 4.919 113.686 108.800 -0.055 0.000 2.545 381 G HA2 -0.119 3.841 3.960 0.000 0.000 0.216 381 G HA3 -0.119 3.841 3.960 0.000 0.000 0.216 381 G C -0.793 174.137 174.900 0.049 0.000 1.314 381 G CA -0.241 44.850 45.100 -0.015 0.000 0.906 381 G HN 1.238 nan 8.290 nan 0.000 0.563 382 L N 1.559 122.835 121.223 0.089 0.000 2.371 382 L HA 0.523 4.863 4.340 0.000 0.000 0.272 382 L C 1.723 178.739 176.870 0.243 0.000 1.124 382 L CA -0.143 54.777 54.840 0.134 0.000 0.816 382 L CB 1.187 43.330 42.059 0.140 0.000 1.129 382 L HN 1.027 nan 8.230 nan 0.000 0.448 383 T N -2.384 112.232 114.554 0.104 0.000 2.788 383 T HA 0.051 4.401 4.350 0.000 0.000 0.287 383 T C 0.929 175.642 174.700 0.021 0.000 1.007 383 T CA -0.515 61.540 62.100 -0.075 0.000 1.005 383 T CB 1.234 70.003 68.868 -0.164 0.000 1.012 383 T HN 0.767 nan 8.240 nan 0.000 0.530 384 E N 0.147 120.331 120.200 -0.027 0.000 2.118 384 E HA -0.220 4.130 4.350 0.000 0.000 0.195 384 E C 1.270 177.889 176.600 0.030 0.000 0.992 384 E CA 1.531 57.942 56.400 0.019 0.000 0.804 384 E CB -0.116 29.581 29.700 -0.006 0.000 0.741 384 E HN 0.672 nan 8.360 nan 0.000 0.458 385 D N 0.341 120.746 120.400 0.008 0.000 2.149 385 D HA -0.120 4.520 4.640 0.000 0.000 0.201 385 D C 1.675 178.008 176.300 0.055 0.000 0.972 385 D CA 0.898 54.912 54.000 0.024 0.000 0.835 385 D CB -0.082 40.716 40.800 -0.004 0.000 0.966 385 D HN 0.360 nan 8.370 nan 0.000 0.476 386 E N 0.698 120.926 120.200 0.046 0.000 2.150 386 E HA -0.069 4.281 4.350 0.000 0.000 0.193 386 E C 2.045 178.717 176.600 0.120 0.000 0.985 386 E CA 0.823 57.264 56.400 0.068 0.000 0.814 386 E CB 0.050 29.774 29.700 0.041 0.000 0.752 386 E HN 0.160 nan 8.360 nan 0.000 0.466 387 A N 1.036 123.946 122.820 0.150 0.000 1.929 387 A HA -0.105 4.215 4.320 0.000 0.000 0.216 387 A C 2.139 179.873 177.584 0.250 0.000 1.176 387 A CA 0.746 52.944 52.037 0.269 0.000 0.628 387 A CB -0.408 18.727 19.000 0.225 0.000 0.816 387 A HN 0.116 nan 8.150 nan 0.000 0.444 388 I N -1.171 119.488 120.570 0.149 0.000 2.226 388 I HA -0.265 3.905 4.170 0.000 0.000 0.245 388 I C 2.570 178.744 176.117 0.097 0.000 1.100 388 I CA 1.618 62.986 61.300 0.112 0.000 1.374 388 I CB -0.409 37.635 38.000 0.075 0.000 1.057 388 I HN 0.536 nan 8.210 nan 0.000 0.413 389 H N 1.383 120.461 119.070 0.014 0.000 2.423 389 H HA -0.165 4.391 4.556 0.000 0.000 0.297 389 H C 2.158 177.447 175.328 -0.064 0.000 1.075 389 H CA 1.547 57.583 56.048 -0.020 0.000 1.342 389 H CB 0.301 30.046 29.762 -0.027 0.000 1.395 389 H HN 0.269 nan 8.280 nan 0.000 0.530 390 K N -0.547 119.776 120.400 -0.127 0.000 2.186 390 K HA -0.082 4.239 4.320 0.000 0.000 0.202 390 K C 1.007 177.297 176.600 -0.518 0.000 1.052 390 K CA 0.862 56.926 56.287 -0.371 0.000 0.965 390 K CB 0.225 32.454 32.500 -0.451 0.000 0.746 390 K HN 0.202 nan 8.250 nan 0.000 0.457 391 Y N -0.556 119.714 120.300 -0.050 0.000 2.498 391 Y HA 0.322 4.872 4.550 0.000 0.000 0.259 391 Y C 0.550 176.421 175.900 -0.049 0.000 1.086 391 Y CA 0.243 58.317 58.100 -0.042 0.000 1.287 391 Y CB 1.418 39.865 38.460 -0.022 0.000 1.146 391 Y HN 0.165 nan 8.280 nan 0.000 0.523 392 G N 0.678 109.525 108.800 0.078 0.000 2.911 392 G HA2 -0.162 3.798 3.960 0.000 0.000 0.686 392 G HA3 -0.162 3.798 3.960 0.000 0.000 0.686 392 G C 0.357 175.287 174.900 0.050 0.000 1.136 392 G CA -0.381 44.739 45.100 0.032 0.000 0.764 392 G HN 0.042 nan 8.290 nan 0.000 0.626 393 I N 1.370 121.957 120.570 0.029 0.000 2.181 393 I HA -0.262 3.909 4.170 0.000 0.000 0.247 393 I C 2.858 178.980 176.117 0.009 0.000 1.081 393 I CA 2.632 63.944 61.300 0.020 0.000 1.340 393 I CB -0.602 37.404 38.000 0.010 0.000 1.036 393 I HN 0.922 nan 8.210 nan 0.000 0.417 394 E N 0.870 121.075 120.200 0.008 0.000 2.265 394 E HA -0.212 4.138 4.350 0.000 0.000 0.196 394 E C 0.904 177.503 176.600 -0.002 0.000 0.996 394 E CA 1.100 57.500 56.400 0.000 0.000 0.832 394 E CB -0.490 29.211 29.700 0.002 0.000 0.756 394 E HN 0.550 nan 8.360 nan 0.000 0.491 395 N N 0.762 119.470 118.700 0.013 0.000 2.235 395 N HA 0.123 4.863 4.740 0.000 0.000 0.209 395 N C -0.647 174.841 175.510 -0.037 0.000 1.122 395 N CA 0.061 53.112 53.050 0.002 0.000 0.845 395 N CB 1.553 40.069 38.487 0.049 0.000 1.004 395 N HN -0.025 nan 8.380 nan 0.000 0.499 396 V N 1.119 121.016 119.914 -0.028 0.000 2.487 396 V HA 0.336 4.456 4.120 0.000 0.000 0.298 396 V C -0.220 175.828 176.094 -0.076 0.000 1.028 396 V CA -0.751 61.517 62.300 -0.053 0.000 0.860 396 V CB 2.269 34.093 31.823 0.002 0.000 0.991 396 V HN -0.084 nan 8.190 nan 0.000 0.427 397 K N 3.324 123.658 120.400 -0.110 0.000 2.426 397 K HA 0.719 5.039 4.320 0.000 0.000 0.254 397 K C -0.404 176.062 176.600 -0.224 0.000 0.936 397 K CA -0.252 55.924 56.287 -0.186 0.000 0.801 397 K CB 1.896 34.275 32.500 -0.201 0.000 1.139 397 K HN 0.855 nan 8.250 nan 0.000 0.424 398 T N 0.477 114.865 114.554 -0.276 0.000 2.912 398 T HA 0.612 4.963 4.350 0.000 0.000 0.288 398 T C -0.862 173.614 174.700 -0.373 0.000 1.030 398 T CA -0.562 61.417 62.100 -0.201 0.000 1.020 398 T CB 0.655 69.477 68.868 -0.077 0.000 1.056 398 T HN 0.355 nan 8.240 nan 0.000 0.480 399 Y N 0.816 121.091 120.300 -0.042 0.000 2.425 399 Y HA 0.635 5.185 4.550 0.000 0.000 0.344 399 Y C 0.542 176.431 175.900 -0.019 0.000 0.969 399 Y CA -0.605 57.474 58.100 -0.035 0.000 1.052 399 Y CB 2.526 40.950 38.460 -0.060 0.000 1.215 399 Y HN 1.121 nan 8.280 nan 0.000 0.451 400 S N 0.661 116.446 115.700 0.143 0.000 2.651 400 S HA 0.882 5.352 4.470 0.000 0.000 0.279 400 S C -0.966 173.704 174.600 0.117 0.000 1.148 400 S CA -0.818 57.447 58.200 0.109 0.000 0.837 400 S CB 2.393 65.638 63.200 0.076 0.000 1.138 400 S HN 0.626 nan 8.310 nan 0.000 0.478 401 T N -0.141 114.494 114.554 0.136 0.000 2.889 401 T HA 0.718 5.068 4.350 0.000 0.000 0.315 401 T C -1.837 172.997 174.700 0.224 0.000 1.291 401 T CA -0.332 61.876 62.100 0.180 0.000 1.028 401 T CB 1.720 70.706 68.868 0.198 0.000 1.235 401 T HN 1.090 nan 8.240 nan 0.000 0.491 402 S N 2.592 118.443 115.700 0.251 0.000 2.677 402 S HA 0.825 5.295 4.470 0.000 0.000 0.283 402 S C -1.498 173.275 174.600 0.288 0.000 1.159 402 S CA -0.694 57.613 58.200 0.178 0.000 1.001 402 S CB 0.181 63.432 63.200 0.085 0.000 1.032 402 S HN 0.706 nan 8.310 nan 0.000 0.487 403 F N 0.333 120.321 119.950 0.063 0.000 2.711 403 F HA 0.733 5.260 4.527 0.000 0.000 0.313 403 F C -0.687 175.169 175.800 0.093 0.000 1.141 403 F CA -0.953 57.091 58.000 0.073 0.000 0.941 403 F CB 0.953 40.000 39.000 0.078 0.000 1.349 403 F HN 0.250 nan 8.300 nan 0.000 0.464 404 T N 2.684 117.370 114.554 0.221 0.000 2.743 404 T HA 0.476 4.826 4.350 0.000 0.000 0.292 404 T C -2.643 172.253 174.700 0.326 0.000 0.972 404 T CA -1.076 61.120 62.100 0.160 0.000 0.967 404 T CB 0.908 69.868 68.868 0.154 0.000 0.926 404 T HN 0.326 nan 8.240 nan 0.000 0.459 405 P HA 0.053 nan 4.420 nan 0.000 0.266 405 P C 1.115 178.627 177.300 0.352 0.000 1.193 405 P CA -0.147 63.188 63.100 0.392 0.000 0.770 405 P CB 0.472 32.357 31.700 0.308 0.000 0.836 406 M N 3.130 122.913 119.600 0.305 0.000 2.260 406 M HA -0.257 4.223 4.480 0.000 0.000 0.261 406 M C 1.625 178.036 176.300 0.184 0.000 1.066 406 M CA 1.753 57.181 55.300 0.214 0.000 1.082 406 M CB -0.521 32.181 32.600 0.169 0.000 1.388 406 M HN 0.403 nan 8.290 nan 0.000 0.419 407 Y N 0.104 120.472 120.300 0.114 0.000 2.256 407 Y HA -0.280 4.270 4.550 0.000 0.000 0.288 407 Y C 1.719 177.666 175.900 0.079 0.000 1.155 407 Y CA 1.940 60.088 58.100 0.081 0.000 1.203 407 Y CB -0.320 38.115 38.460 -0.042 0.000 0.980 407 Y HN 0.366 nan 8.280 nan 0.000 0.530 408 H N -0.587 118.576 119.070 0.156 0.000 2.526 408 H HA 0.336 4.892 4.556 0.000 0.000 0.274 408 H C 2.075 177.407 175.328 0.005 0.000 0.999 408 H CA 0.490 56.581 56.048 0.072 0.000 1.157 408 H CB -0.079 29.790 29.762 0.178 0.000 1.407 408 H HN 0.505 nan 8.280 nan 0.000 0.568 409 A N 1.049 123.923 122.820 0.090 0.000 2.070 409 A HA -0.095 4.225 4.320 0.000 0.000 0.220 409 A C 2.111 179.678 177.584 -0.029 0.000 1.159 409 A CA 1.732 53.797 52.037 0.046 0.000 0.656 409 A CB -0.370 18.654 19.000 0.041 0.000 0.800 409 A HN 0.278 nan 8.150 nan 0.000 0.453 410 V N -3.125 116.714 119.914 -0.125 0.000 3.380 410 V HA 0.274 4.394 4.120 0.000 0.000 0.307 410 V C 0.447 176.419 176.094 -0.203 0.000 1.434 410 V CA 0.496 62.669 62.300 -0.213 0.000 1.075 410 V CB -0.813 30.773 31.823 -0.394 0.000 0.954 410 V HN 0.484 nan 8.190 nan 0.000 0.444 411 T N -2.918 111.591 114.554 -0.075 0.000 2.918 411 T HA 0.519 4.869 4.350 0.000 0.000 0.286 411 T C 0.478 175.211 174.700 0.054 0.000 1.026 411 T CA -0.502 61.614 62.100 0.027 0.000 1.031 411 T CB 2.430 71.417 68.868 0.199 0.000 1.046 411 T HN 0.161 nan 8.240 nan 0.000 0.479 412 K N -0.163 120.269 120.400 0.053 0.000 2.167 412 K HA 0.094 4.414 4.320 0.000 0.000 0.203 412 K C 1.315 177.923 176.600 0.013 0.000 1.052 412 K CA 0.364 56.666 56.287 0.026 0.000 0.956 412 K CB 0.129 32.643 32.500 0.024 0.000 0.735 412 K HN 0.472 nan 8.250 nan 0.000 0.451 413 R N 1.585 122.113 120.500 0.047 0.000 2.490 413 R HA 0.088 4.428 4.340 0.000 0.000 0.278 413 R C -0.768 175.453 176.300 -0.131 0.000 1.069 413 R CA 0.017 56.114 56.100 -0.005 0.000 1.080 413 R CB 0.550 30.893 30.300 0.072 0.000 1.030 413 R HN -0.193 nan 8.270 nan 0.000 0.491 414 K N 2.079 122.310 120.400 -0.281 0.000 2.508 414 K HA 0.354 4.675 4.320 0.000 0.000 0.260 414 K C -1.002 175.323 176.600 -0.458 0.000 0.949 414 K CA -0.748 55.200 56.287 -0.565 0.000 0.834 414 K CB 2.277 34.623 32.500 -0.256 0.000 1.365 414 K HN 0.883 nan 8.250 nan 0.000 0.437 415 T N -1.953 112.291 114.554 -0.518 0.000 2.883 415 T HA 0.558 4.908 4.350 0.000 0.000 0.296 415 T C -0.560 174.095 174.700 -0.075 0.000 1.117 415 T CA -0.905 61.107 62.100 -0.148 0.000 1.006 415 T CB 2.629 71.521 68.868 0.040 0.000 1.191 415 T HN 0.414 nan 8.240 nan 0.000 0.508 416 K N -0.521 119.843 120.400 -0.060 0.000 2.238 416 K HA 0.692 5.012 4.320 0.000 0.000 0.239 416 K C -1.369 175.131 176.600 -0.166 0.000 0.987 416 K CA -0.949 55.278 56.287 -0.101 0.000 0.857 416 K CB 1.925 34.376 32.500 -0.082 0.000 1.154 416 K HN 0.814 nan 8.250 nan 0.000 0.439 417 C N 3.429 122.502 119.300 -0.378 0.000 2.346 417 C HA 0.634 5.094 4.460 0.000 0.000 0.326 417 C C -1.011 173.737 174.990 -0.403 0.000 1.224 417 C CA -0.477 58.252 59.018 -0.480 0.000 1.408 417 C CB -0.223 26.962 27.740 -0.925 0.000 2.089 417 C HN 0.502 nan 8.230 nan 0.000 0.456 418 V N 5.327 125.151 119.914 -0.149 0.000 2.555 418 V HA 0.782 4.902 4.120 0.000 0.000 0.302 418 V C -0.556 175.559 176.094 0.035 0.000 1.038 418 V CA -0.602 61.681 62.300 -0.029 0.000 0.887 418 V CB 1.560 33.381 31.823 -0.004 0.000 0.991 418 V HN 0.933 nan 8.190 nan 0.000 0.434 419 M N 4.099 123.755 119.600 0.093 0.000 2.457 419 M HA 0.654 5.134 4.480 0.000 0.000 0.300 419 M C -0.904 175.447 176.300 0.084 0.000 1.141 419 M CA -0.545 54.808 55.300 0.087 0.000 0.901 419 M CB 2.837 35.503 32.600 0.110 0.000 1.687 419 M HN 0.843 nan 8.290 nan 0.000 0.449 420 K N 2.962 123.406 120.400 0.074 0.000 2.513 420 K HA 0.682 5.002 4.320 0.000 0.000 0.251 420 K C -1.895 174.732 176.600 0.045 0.000 0.939 420 K CA -0.528 55.813 56.287 0.091 0.000 0.793 420 K CB 2.422 35.008 32.500 0.143 0.000 1.241 420 K HN 0.853 nan 8.250 nan 0.000 0.431 421 M N 5.344 124.965 119.600 0.034 0.000 2.243 421 M HA 0.382 4.862 4.480 0.000 0.000 0.324 421 M C -1.622 174.692 176.300 0.023 0.000 1.031 421 M CA -0.842 54.431 55.300 -0.044 0.000 0.949 421 M CB 1.597 34.132 32.600 -0.109 0.000 1.615 421 M HN 0.381 nan 8.290 nan 0.000 0.430 422 V N 5.125 125.032 119.914 -0.011 0.000 2.350 422 V HA 0.381 4.501 4.120 0.000 0.000 0.276 422 V C -0.454 175.613 176.094 -0.046 0.000 1.028 422 V CA -0.587 61.718 62.300 0.008 0.000 0.860 422 V CB 0.814 32.679 31.823 0.071 0.000 0.990 422 V HN 0.965 nan 8.190 nan 0.000 0.453 423 C N 4.194 123.466 119.300 -0.046 0.000 2.391 423 C HA 0.936 5.396 4.460 0.000 0.000 0.339 423 C C 0.633 175.521 174.990 -0.169 0.000 1.205 423 C CA -0.592 58.374 59.018 -0.086 0.000 1.937 423 C CB 1.044 28.787 27.740 0.004 0.000 2.341 423 C HN 0.983 nan 8.230 nan 0.000 0.516 424 A N 3.087 125.743 122.820 -0.273 0.000 2.401 424 A HA 0.835 5.155 4.320 0.000 0.000 0.310 424 A C -0.336 177.064 177.584 -0.307 0.000 1.075 424 A CA -0.368 51.392 52.037 -0.462 0.000 0.746 424 A CB 0.452 18.756 19.000 -1.161 0.000 1.277 424 A HN 1.141 nan 8.150 nan 0.000 0.425 425 N N -0.037 118.527 118.700 -0.225 0.000 6.481 425 N HA -0.197 4.543 4.740 0.000 0.000 0.407 425 N C 0.847 176.319 175.510 -0.064 0.000 0.969 425 N CA 0.732 53.720 53.050 -0.105 0.000 1.867 425 N CB -0.082 38.355 38.487 -0.083 0.000 0.742 425 N HN 0.850 nan 8.380 nan 0.000 0.489 426 K N 1.346 121.726 120.400 -0.033 0.000 2.044 426 K HA -0.259 4.061 4.320 0.000 0.000 0.210 426 K C 1.507 178.099 176.600 -0.014 0.000 1.049 426 K CA 2.184 58.460 56.287 -0.017 0.000 0.927 426 K CB -0.171 32.325 32.500 -0.007 0.000 0.713 426 K HN 0.633 nan 8.250 nan 0.000 0.443 427 E N 0.997 121.186 120.200 -0.019 0.000 2.418 427 E HA -0.146 4.204 4.350 0.000 0.000 0.197 427 E C -0.490 176.099 176.600 -0.019 0.000 1.026 427 E CA 0.581 56.973 56.400 -0.013 0.000 0.862 427 E CB -0.389 29.306 29.700 -0.009 0.000 0.799 427 E HN 0.375 nan 8.360 nan 0.000 0.518 428 E N 1.055 121.234 120.200 -0.036 0.000 2.246 428 E HA -0.195 4.155 4.350 0.000 0.000 0.211 428 E C -0.506 176.057 176.600 -0.062 0.000 1.278 428 E CA 0.514 56.890 56.400 -0.040 0.000 0.694 428 E CB -1.397 28.310 29.700 0.011 0.000 1.166 428 E HN 0.291 nan 8.360 nan 0.000 0.370 429 K N 1.018 121.365 120.400 -0.087 0.000 2.416 429 K HA 0.164 4.484 4.320 0.000 0.000 0.283 429 K C 0.010 176.548 176.600 -0.102 0.000 1.037 429 K CA -0.253 55.989 56.287 -0.074 0.000 0.995 429 K CB 0.768 33.219 32.500 -0.082 0.000 0.938 429 K HN 0.017 nan 8.250 nan 0.000 0.475 430 V N 6.931 126.792 119.914 -0.089 0.000 2.403 430 V HA -0.039 4.081 4.120 0.000 0.000 0.265 430 V C 1.089 177.138 176.094 -0.075 0.000 1.034 430 V CA 0.014 62.230 62.300 -0.140 0.000 1.036 430 V CB 0.529 32.205 31.823 -0.245 0.000 1.032 430 V HN 0.774 nan 8.190 nan 0.000 0.478 431 V N 2.225 122.092 119.914 -0.078 0.000 3.660 431 V HA 0.636 4.756 4.120 0.000 0.000 0.276 431 V C 0.779 176.864 176.094 -0.014 0.000 1.317 431 V CA 0.751 63.039 62.300 -0.020 0.000 1.097 431 V CB 0.106 31.932 31.823 0.005 0.000 0.863 431 V HN 0.795 nan 8.190 nan 0.000 0.438 432 G N 0.074 108.830 108.800 -0.073 0.000 2.768 432 G HA2 0.680 4.640 3.960 0.000 0.000 0.297 432 G HA3 0.680 4.640 3.960 0.000 0.000 0.297 432 G C -1.631 173.057 174.900 -0.353 0.000 1.430 432 G CA -0.617 44.383 45.100 -0.166 0.000 1.030 432 G HN 0.171 nan 8.290 nan 0.000 0.553 433 I N 2.458 122.673 120.570 -0.591 0.000 2.499 433 I HA 0.435 4.605 4.170 0.000 0.000 0.288 433 I C -1.008 174.684 176.117 -0.708 0.000 1.048 433 I CA -0.886 60.118 61.300 -0.492 0.000 1.062 433 I CB 2.386 40.235 38.000 -0.251 0.000 1.238 433 I HN 0.429 nan 8.210 nan 0.000 0.426 434 H N 7.903 126.956 119.070 -0.029 0.000 2.759 434 H HA 0.726 5.282 4.556 0.000 0.000 0.354 434 H C -0.864 174.465 175.328 0.002 0.000 1.074 434 H CA -0.749 55.298 56.048 -0.002 0.000 1.226 434 H CB 2.316 32.087 29.762 0.014 0.000 1.648 434 H HN 0.587 nan 8.280 nan 0.000 0.529 435 M N 0.980 120.642 119.600 0.103 0.000 2.603 435 M HA 0.470 4.950 4.480 0.000 0.000 0.275 435 M C -1.853 174.473 176.300 0.044 0.000 1.226 435 M CA -0.904 54.432 55.300 0.060 0.000 0.870 435 M CB 3.583 36.200 32.600 0.028 0.000 1.716 435 M HN 0.471 nan 8.290 nan 0.000 0.482 436 Q N 0.885 120.697 119.800 0.019 0.000 2.315 436 Q HA 0.814 5.154 4.340 0.000 0.000 0.273 436 Q C -1.241 174.750 176.000 -0.015 0.000 1.053 436 Q CA -0.173 55.632 55.803 0.002 0.000 0.817 436 Q CB 2.815 31.552 28.738 -0.002 0.000 1.326 436 Q HN 1.256 nan 8.270 nan 0.000 0.423 437 G N 1.805 110.608 108.800 0.006 0.000 2.339 437 G HA2 0.148 4.109 3.960 0.000 0.000 0.302 437 G HA3 0.148 4.109 3.960 0.000 0.000 0.302 437 G C -1.620 173.320 174.900 0.067 0.000 1.425 437 G CA -1.106 43.999 45.100 0.008 0.000 0.899 437 G HN 0.609 nan 8.290 nan 0.000 0.619 438 L N 1.224 122.498 121.223 0.086 0.000 2.559 438 L HA 0.339 4.679 4.340 0.000 0.000 0.274 438 L C 1.781 178.729 176.870 0.130 0.000 1.205 438 L CA 1.784 56.696 54.840 0.119 0.000 0.907 438 L CB 0.555 42.671 42.059 0.096 0.000 1.153 438 L HN 2.002 nan 8.230 nan 0.000 0.490 439 G N 1.684 110.576 108.800 0.153 0.000 2.199 439 G HA2 -0.294 3.666 3.960 0.000 0.000 0.254 439 G HA3 -0.294 3.666 3.960 0.000 0.000 0.254 439 G C 0.872 175.847 174.900 0.126 0.000 0.982 439 G CA 0.210 45.395 45.100 0.142 0.000 0.632 439 G HN 0.712 nan 8.290 nan 0.000 0.529 440 C N 2.071 121.433 119.300 0.102 0.000 2.419 440 C HA 0.029 4.489 4.460 0.000 0.000 0.283 440 C C 2.708 177.709 174.990 0.018 0.000 1.373 440 C CA 1.380 60.438 59.018 0.067 0.000 1.781 440 C CB -0.796 26.965 27.740 0.036 0.000 1.886 440 C HN 0.781 nan 8.230 nan 0.000 0.520 441 D N 0.923 121.320 120.400 -0.004 0.000 2.144 441 D HA -0.149 4.491 4.640 0.000 0.000 0.200 441 D C 1.562 177.874 176.300 0.021 0.000 0.978 441 D CA 1.311 55.262 54.000 -0.081 0.000 0.833 441 D CB -0.531 40.222 40.800 -0.077 0.000 0.961 441 D HN 0.423 nan 8.370 nan 0.000 0.470 442 E N -0.358 119.889 120.200 0.077 0.000 2.447 442 E HA 0.084 4.434 4.350 0.000 0.000 0.195 442 E C 1.976 178.616 176.600 0.067 0.000 1.028 442 E CA -0.124 56.320 56.400 0.075 0.000 0.876 442 E CB 0.108 29.858 29.700 0.084 0.000 0.885 442 E HN 0.392 nan 8.360 nan 0.000 0.500 443 M N 0.301 119.961 119.600 0.099 0.000 2.288 443 M HA -0.065 4.416 4.480 0.000 0.000 0.266 443 M C 1.973 178.406 176.300 0.221 0.000 1.072 443 M CA 0.620 56.016 55.300 0.160 0.000 1.132 443 M CB 0.149 32.883 32.600 0.223 0.000 1.386 443 M HN 0.093 nan 8.290 nan 0.000 0.432 444 L N 0.734 122.056 121.223 0.167 0.000 2.093 444 L HA -0.198 4.143 4.340 0.000 0.000 0.208 444 L C 2.296 179.240 176.870 0.122 0.000 1.085 444 L CA 1.870 56.820 54.840 0.183 0.000 0.755 444 L CB -0.753 41.351 42.059 0.075 0.000 0.904 444 L HN 0.335 nan 8.230 nan 0.000 0.435 445 Q N -0.326 119.499 119.800 0.042 0.000 2.096 445 Q HA -0.190 4.150 4.340 0.000 0.000 0.208 445 Q C 2.100 178.078 176.000 -0.036 0.000 0.993 445 Q CA 2.377 58.181 55.803 0.001 0.000 0.862 445 Q CB -0.957 27.773 28.738 -0.013 0.000 0.915 445 Q HN 0.556 nan 8.270 nan 0.000 0.416 446 G N -1.310 107.419 108.800 -0.118 0.000 2.402 446 G HA2 -0.222 3.738 3.960 0.000 0.000 0.216 446 G HA3 -0.222 3.738 3.960 0.000 0.000 0.216 446 G C 0.985 175.749 174.900 -0.228 0.000 1.162 446 G CA 0.741 45.702 45.100 -0.233 0.000 0.777 446 G HN 0.398 nan 8.290 nan 0.000 0.539 447 F N 1.750 121.675 119.950 -0.041 0.000 2.293 447 F HA 0.130 4.657 4.527 0.000 0.000 0.300 447 F C 2.923 178.737 175.800 0.024 0.000 1.086 447 F CA 0.582 58.575 58.000 -0.013 0.000 1.375 447 F CB -0.308 38.740 39.000 0.081 0.000 1.045 447 F HN 0.238 nan 8.300 nan 0.000 0.516 448 A N -0.194 122.721 122.820 0.158 0.000 1.969 448 A HA -0.076 4.244 4.320 0.000 0.000 0.218 448 A C 2.346 179.957 177.584 0.045 0.000 1.169 448 A CA 1.598 53.686 52.037 0.085 0.000 0.635 448 A CB -1.083 17.941 19.000 0.040 0.000 0.810 448 A HN 0.174 nan 8.150 nan 0.000 0.445 449 V N -0.159 119.759 119.914 0.008 0.000 2.358 449 V HA -0.220 3.900 4.120 0.000 0.000 0.246 449 V C 3.043 179.135 176.094 -0.003 0.000 1.047 449 V CA 1.833 64.122 62.300 -0.018 0.000 1.035 449 V CB -1.214 30.576 31.823 -0.056 0.000 0.658 449 V HN 0.596 nan 8.190 nan 0.000 0.452 450 A N -0.149 122.671 122.820 -0.000 0.000 1.902 450 A HA -0.159 4.161 4.320 0.000 0.000 0.217 450 A C 2.393 180.047 177.584 0.118 0.000 1.181 450 A CA 2.097 54.148 52.037 0.023 0.000 0.623 450 A CB -0.695 18.270 19.000 -0.059 0.000 0.818 450 A HN 0.331 nan 8.150 nan 0.000 0.443 451 V N 0.168 120.179 119.914 0.162 0.000 2.343 451 V HA -0.225 3.895 4.120 0.000 0.000 0.247 451 V C 2.562 178.700 176.094 0.074 0.000 1.051 451 V CA 2.387 64.771 62.300 0.140 0.000 1.036 451 V CB -0.598 31.296 31.823 0.117 0.000 0.654 451 V HN 0.614 nan 8.190 nan 0.000 0.451 452 K N 0.220 120.649 120.400 0.048 0.000 2.147 452 K HA -0.092 4.228 4.320 0.000 0.000 0.205 452 K C 1.934 178.547 176.600 0.022 0.000 1.049 452 K CA 1.722 58.023 56.287 0.023 0.000 0.936 452 K CB -0.367 32.135 32.500 0.004 0.000 0.722 452 K HN 0.412 nan 8.250 nan 0.000 0.446 453 M N -1.304 118.311 119.600 0.026 0.000 2.476 453 M HA 0.086 4.566 4.480 0.000 0.000 0.262 453 M C 0.682 177.002 176.300 0.033 0.000 1.079 453 M CA 1.055 56.367 55.300 0.021 0.000 1.104 453 M CB 0.281 32.888 32.600 0.011 0.000 1.409 453 M HN 0.410 nan 8.290 nan 0.000 0.467 454 G N 0.995 109.825 108.800 0.051 0.000 2.167 454 G HA2 -0.091 3.869 3.960 0.000 0.000 0.194 454 G HA3 -0.091 3.869 3.960 0.000 0.000 0.194 454 G C 0.027 174.969 174.900 0.070 0.000 1.027 454 G CA -0.156 44.975 45.100 0.052 0.000 0.717 454 G HN 0.679 nan 8.290 nan 0.000 0.501 455 A N 0.056 122.946 122.820 0.117 0.000 2.466 455 A HA 0.754 5.074 4.320 0.000 0.000 0.238 455 A C 1.092 178.763 177.584 0.144 0.000 1.074 455 A CA 1.305 53.448 52.037 0.176 0.000 0.774 455 A CB 0.310 19.517 19.000 0.346 0.000 1.015 455 A HN 1.927 nan 8.150 nan 0.000 0.498 456 T N -1.124 113.507 114.554 0.128 0.000 2.938 456 T HA 0.481 4.831 4.350 0.000 0.000 0.285 456 T C 0.870 175.602 174.700 0.053 0.000 1.028 456 T CA -0.304 61.825 62.100 0.048 0.000 1.005 456 T CB 1.217 70.103 68.868 0.030 0.000 1.157 456 T HN 0.532 nan 8.240 nan 0.000 0.550 457 K N 0.582 120.950 120.400 -0.053 0.000 2.097 457 K HA 0.075 4.396 4.320 0.000 0.000 0.206 457 K C 2.293 178.893 176.600 -0.001 0.000 1.049 457 K CA 1.747 57.960 56.287 -0.123 0.000 0.933 457 K CB -1.089 31.304 32.500 -0.178 0.000 0.717 457 K HN 0.710 nan 8.250 nan 0.000 0.442 458 A N 0.889 123.722 122.820 0.022 0.000 1.972 458 A HA -0.169 4.151 4.320 0.000 0.000 0.219 458 A C 1.684 179.316 177.584 0.080 0.000 1.169 458 A CA 1.903 53.961 52.037 0.036 0.000 0.635 458 A CB -0.552 18.461 19.000 0.022 0.000 0.810 458 A HN 0.422 nan 8.150 nan 0.000 0.446 459 D N -0.765 119.713 120.400 0.130 0.000 2.097 459 D HA -0.119 4.521 4.640 0.000 0.000 0.197 459 D C 1.619 178.014 176.300 0.158 0.000 0.984 459 D CA 1.149 55.225 54.000 0.127 0.000 0.826 459 D CB -0.379 40.506 40.800 0.142 0.000 0.973 459 D HN 0.437 nan 8.370 nan 0.000 0.460 460 F N 1.839 121.791 119.950 0.002 0.000 2.102 460 F HA -0.140 4.387 4.527 0.000 0.000 0.298 460 F C 2.208 178.006 175.800 -0.003 0.000 1.105 460 F CA 1.016 59.030 58.000 0.022 0.000 1.239 460 F CB -0.556 38.445 39.000 0.002 0.000 0.991 460 F HN -0.142 nan 8.300 nan 0.000 0.474 461 D N -0.417 120.084 120.400 0.169 0.000 2.221 461 D HA -0.146 4.494 4.640 0.000 0.000 0.204 461 D C 1.523 177.846 176.300 0.039 0.000 0.982 461 D CA 0.966 55.003 54.000 0.061 0.000 0.857 461 D CB -0.446 40.356 40.800 0.003 0.000 0.934 461 D HN 0.256 nan 8.370 nan 0.000 0.475 462 N N -0.153 118.571 118.700 0.040 0.000 2.336 462 N HA -0.005 4.736 4.740 0.000 0.000 0.189 462 N C -0.277 175.236 175.510 0.005 0.000 1.113 462 N CA 0.269 53.329 53.050 0.016 0.000 0.858 462 N CB 0.580 39.075 38.487 0.013 0.000 0.970 462 N HN 0.030 nan 8.380 nan 0.000 0.471 463 T N 0.992 115.549 114.554 0.006 0.000 2.767 463 T HA 0.266 4.616 4.350 0.000 0.000 0.288 463 T C 0.549 175.248 174.700 -0.001 0.000 0.963 463 T CA -0.405 61.685 62.100 -0.017 0.000 1.019 463 T CB 2.201 71.037 68.868 -0.053 0.000 0.923 463 T HN -0.251 nan 8.240 nan 0.000 0.468 464 V N 3.418 123.328 119.914 -0.007 0.000 2.655 464 V HA 0.328 4.448 4.120 0.000 0.000 0.300 464 V C 0.973 177.073 176.094 0.011 0.000 1.044 464 V CA -0.496 61.805 62.300 0.001 0.000 1.095 464 V CB 0.314 32.135 31.823 -0.003 0.000 0.952 464 V HN 1.091 nan 8.190 nan 0.000 0.485 465 A N 6.198 129.032 122.820 0.023 0.000 2.366 465 A HA 0.628 4.948 4.320 0.000 0.000 0.249 465 A C -0.246 177.372 177.584 0.058 0.000 1.084 465 A CA -0.328 51.737 52.037 0.046 0.000 0.794 465 A CB 0.116 19.143 19.000 0.046 0.000 1.034 465 A HN 0.752 nan 8.150 nan 0.000 0.491 466 I N 1.235 121.851 120.570 0.076 0.000 2.330 466 I HA 0.272 4.442 4.170 0.000 0.000 0.289 466 I C -0.301 175.893 176.117 0.128 0.000 1.001 466 I CA -0.132 61.214 61.300 0.078 0.000 1.193 466 I CB 1.157 39.185 38.000 0.047 0.000 1.345 466 I HN 0.799 nan 8.210 nan 0.000 0.461 467 H N 7.563 126.645 119.070 0.020 0.000 2.524 467 H HA 0.631 5.187 4.556 0.000 0.000 0.353 467 H C -2.533 172.811 175.328 0.027 0.000 1.136 467 H CA -1.920 54.141 56.048 0.023 0.000 1.193 467 H CB 1.644 31.414 29.762 0.013 0.000 1.558 467 H HN 0.304 nan 8.280 nan 0.000 0.515 468 P HA 0.311 nan 4.420 nan 0.000 0.297 468 P C -1.272 175.977 177.300 -0.086 0.000 1.331 468 P CA -0.600 62.213 63.100 -0.480 0.000 0.803 468 P CB 1.383 32.759 31.700 -0.539 0.000 0.929 469 T N -2.066 112.512 114.554 0.039 0.000 2.812 469 T HA 0.382 4.732 4.350 0.000 0.000 0.294 469 T C 0.678 175.466 174.700 0.147 0.000 1.159 469 T CA -0.540 61.615 62.100 0.092 0.000 1.008 469 T CB 1.190 70.115 68.868 0.094 0.000 1.289 469 T HN -0.047 nan 8.240 nan 0.000 0.514 470 S N 0.433 116.254 115.700 0.203 0.000 2.425 470 S HA -0.006 4.464 4.470 0.000 0.000 0.225 470 S C 2.297 177.053 174.600 0.260 0.000 1.024 470 S CA 0.958 59.343 58.200 0.308 0.000 0.951 470 S CB -0.459 62.965 63.200 0.374 0.000 0.796 470 S HN 0.919 nan 8.310 nan 0.000 0.498 471 S N 2.756 118.593 115.700 0.228 0.000 2.419 471 S HA -0.213 4.257 4.470 0.000 0.000 0.233 471 S C 1.719 176.470 174.600 0.251 0.000 1.016 471 S CA 1.306 59.671 58.200 0.275 0.000 0.974 471 S CB -0.653 62.722 63.200 0.291 0.000 0.786 471 S HN 0.796 nan 8.310 nan 0.000 0.492 472 E N 1.119 121.421 120.200 0.170 0.000 2.333 472 E HA -0.169 4.181 4.350 0.000 0.000 0.198 472 E C 1.522 178.167 176.600 0.074 0.000 1.007 472 E CA 1.050 57.527 56.400 0.128 0.000 0.845 472 E CB -0.304 29.461 29.700 0.109 0.000 0.766 472 E HN 0.448 nan 8.360 nan 0.000 0.507 473 E N 1.062 121.282 120.200 0.034 0.000 2.204 473 E HA -0.090 4.260 4.350 0.000 0.000 0.195 473 E C 2.115 178.720 176.600 0.009 0.000 0.990 473 E CA 0.600 56.975 56.400 -0.041 0.000 0.821 473 E CB -0.138 29.491 29.700 -0.117 0.000 0.750 473 E HN 0.443 nan 8.360 nan 0.000 0.477 474 L N 0.716 121.961 121.223 0.038 0.000 2.291 474 L HA -0.075 4.265 4.340 0.000 0.000 0.214 474 L C 2.019 178.955 176.870 0.110 0.000 1.120 474 L CA 0.624 55.453 54.840 -0.018 0.000 0.799 474 L CB 0.052 41.938 42.059 -0.289 0.000 0.925 474 L HN 0.038 nan 8.230 nan 0.000 0.446 475 V N -5.098 114.910 119.914 0.156 0.000 3.542 475 V HA 0.114 4.234 4.120 0.000 0.000 0.296 475 V C 1.206 177.338 176.094 0.064 0.000 1.364 475 V CA 0.678 63.085 62.300 0.177 0.000 1.118 475 V CB -0.249 31.678 31.823 0.173 0.000 0.972 475 V HN 0.418 nan 8.190 nan 0.000 0.430 476 T N -1.888 112.675 114.554 0.014 0.000 3.339 476 T HA 0.487 4.837 4.350 0.000 0.000 0.292 476 T C 0.051 174.718 174.700 -0.055 0.000 1.012 476 T CA -0.274 61.810 62.100 -0.026 0.000 0.937 476 T CB -0.324 68.526 68.868 -0.029 0.000 1.164 476 T HN 0.305 nan 8.240 nan 0.000 0.509 477 L N 1.706 122.876 121.223 -0.088 0.000 2.397 477 L HA 0.572 4.912 4.340 0.000 0.000 0.271 477 L C 0.789 177.570 176.870 -0.148 0.000 1.148 477 L CA -0.417 54.362 54.840 -0.101 0.000 0.825 477 L CB 0.699 42.672 42.059 -0.143 0.000 1.117 477 L HN 0.195 nan 8.230 nan 0.000 0.456 478 R N 0.000 120.491 120.500 -0.014 0.000 2.786 478 R HA 0.000 4.340 4.340 0.000 0.000 0.208 478 R CA 0.000 56.126 56.100 0.043 0.000 0.921 478 R CB 0.000 30.311 30.300 0.018 0.000 0.687 478 R HN 0.000 nan 8.270 nan 0.000 0.535