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 1r27_1_D DATA FIRST_RESID 1 DATA SEQUENCE MKIRSQVGMV LNLDKCIGCH TCSVTCKNVW TSREGVEYAW FNNVETKPGQ DATA SEQUENCE GFPTDWENQE KYKGGWIRKI NGKLQPRMGN RAMLLGKIFA NPHLPGIDDY DATA SEQUENCE YEPFDFDYQN LHTAPEGSKS QPIARPRSLI TGERMAKIEK GPNWEDDLGG DATA SEQUENCE EFDKLAKDKN FDNIQKAMYS QFENTFMMYL PRLCEHCLNP ACVATCPSGA DATA SEQUENCE IYKREEDGIV LIDQDKCRGW RMCITGCPYK KIYFNWKSGK SEKCIFCYPR DATA SEQUENCE IEAGQPTVCS ETCVGRIRYL GVLLYDADAI ERAASTENEK DLYQRQLDVF DATA SEQUENCE LDPNDPKVIE QAIKDGIPLS VIEAAQQSPV YKMAMEWKLA LPLHPEYRTL DATA SEQUENCE PMVWYVPPLS PIQSAADAGE LGSNGILPDV ESLRIPVQYL ANLLTAGDTK DATA SEQUENCE PVLRALKRML AMRHYKRAET VDGKVDTRAL EEVGLTEAQA QEMYRYLAIA DATA SEQUENCE NYEDRFVVPS SHREL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.284 176.300 -0.026 0.000 1.140 1 M CA 0.000 55.290 55.300 -0.016 0.000 0.988 1 M CB 0.000 32.591 32.600 -0.015 0.000 1.302 2 K N 1.628 122.006 120.400 -0.036 0.000 2.637 2 K HA 0.634 4.954 4.320 0.001 0.000 0.248 2 K C -1.952 174.583 176.600 -0.110 0.000 0.971 2 K CA -0.406 55.846 56.287 -0.058 0.000 0.858 2 K CB 1.179 33.653 32.500 -0.044 0.000 1.170 2 K HN 0.724 nan 8.250 nan 0.000 0.443 3 I N 4.541 125.037 120.570 -0.123 0.000 2.416 3 I HA 0.381 4.551 4.170 0.001 0.000 0.288 3 I C 0.376 176.331 176.117 -0.271 0.000 1.051 3 I CA -0.168 61.020 61.300 -0.187 0.000 1.375 3 I CB 0.759 38.686 38.000 -0.123 0.000 1.407 3 I HN 0.550 nan 8.210 nan 0.000 0.516 4 R N 3.424 123.611 120.500 -0.522 0.000 2.837 4 R HA 0.610 4.951 4.340 0.001 0.000 0.271 4 R C -0.597 175.393 176.300 -0.518 0.000 0.993 4 R CA -0.690 55.089 56.100 -0.535 0.000 0.931 4 R CB 2.571 32.499 30.300 -0.619 0.000 1.206 4 R HN 0.770 nan 8.270 nan 0.000 0.474 5 S N 0.588 116.188 115.700 -0.166 0.000 2.568 5 S HA 0.551 5.021 4.470 0.001 0.000 0.302 5 S C -0.793 173.893 174.600 0.145 0.000 1.082 5 S CA -0.803 57.404 58.200 0.011 0.000 1.009 5 S CB 2.416 65.613 63.200 -0.006 0.000 1.069 5 S HN 0.618 nan 8.310 nan 0.000 0.500 6 Q N 0.998 120.889 119.800 0.152 0.000 2.386 6 Q HA 0.464 4.805 4.340 0.001 0.000 0.274 6 Q C -2.082 173.910 176.000 -0.014 0.000 1.011 6 Q CA -0.796 55.047 55.803 0.066 0.000 0.867 6 Q CB 2.089 30.873 28.738 0.076 0.000 1.409 6 Q HN 0.687 nan 8.270 nan 0.000 0.395 7 V N 3.106 122.992 119.914 -0.046 0.000 2.405 7 V HA 0.454 4.574 4.120 0.001 0.000 0.264 7 V C 0.750 176.809 176.094 -0.059 0.000 1.048 7 V CA 0.279 62.585 62.300 0.010 0.000 0.966 7 V CB 0.458 32.380 31.823 0.165 0.000 1.015 7 V HN 0.755 nan 8.190 nan 0.000 0.477 8 G N 4.421 113.177 108.800 -0.073 0.000 2.504 8 G HA2 0.624 4.584 3.960 0.001 0.000 0.288 8 G HA3 0.624 4.584 3.960 0.001 0.000 0.288 8 G C -0.689 174.229 174.900 0.030 0.000 1.182 8 G CA -0.616 44.417 45.100 -0.112 0.000 0.894 8 G HN 0.614 nan 8.290 nan 0.000 0.521 9 M N 0.976 120.606 119.600 0.050 0.000 2.393 9 M HA 0.606 5.087 4.480 0.001 0.000 0.299 9 M C -1.693 174.647 176.300 0.065 0.000 1.103 9 M CA -0.687 54.690 55.300 0.128 0.000 0.910 9 M CB 2.346 35.083 32.600 0.229 0.000 1.659 9 M HN 0.278 nan 8.290 nan 0.000 0.445 10 V N 5.354 125.331 119.914 0.104 0.000 2.588 10 V HA 0.540 4.660 4.120 0.001 0.000 0.304 10 V C -0.843 175.324 176.094 0.122 0.000 1.042 10 V CA -0.827 61.527 62.300 0.090 0.000 0.877 10 V CB 2.152 34.035 31.823 0.100 0.000 0.996 10 V HN 0.696 nan 8.190 nan 0.000 0.425 11 L N 4.033 125.239 121.223 -0.029 0.000 2.305 11 L HA 0.490 4.831 4.340 0.001 0.000 0.284 11 L C 0.003 176.973 176.870 0.166 0.000 1.013 11 L CA -0.333 54.533 54.840 0.042 0.000 0.819 11 L CB 1.599 43.587 42.059 -0.118 0.000 1.227 11 L HN 0.636 nan 8.230 nan 0.000 0.417 12 N N 3.989 122.832 118.700 0.239 0.000 2.555 12 N HA 0.152 4.892 4.740 0.001 0.000 0.244 12 N C 0.985 176.623 175.510 0.214 0.000 1.114 12 N CA -0.126 53.061 53.050 0.227 0.000 0.963 12 N CB 0.646 39.287 38.487 0.257 0.000 1.276 12 N HN 0.598 nan 8.380 nan 0.000 0.510 13 L N 1.336 122.701 121.223 0.236 0.000 2.265 13 L HA -0.134 4.207 4.340 0.001 0.000 0.215 13 L C 1.499 178.476 176.870 0.179 0.000 1.117 13 L CA 0.836 55.813 54.840 0.229 0.000 0.782 13 L CB -0.195 42.007 42.059 0.238 0.000 0.914 13 L HN 0.466 nan 8.230 nan 0.000 0.441 14 D N 0.452 120.943 120.400 0.151 0.000 2.178 14 D HA -0.170 4.471 4.640 0.001 0.000 0.201 14 D C 1.987 178.362 176.300 0.125 0.000 0.980 14 D CA 1.211 55.285 54.000 0.123 0.000 0.842 14 D CB 0.242 41.104 40.800 0.103 0.000 0.948 14 D HN 0.147 nan 8.370 nan 0.000 0.472 15 K N -0.699 119.782 120.400 0.134 0.000 2.367 15 K HA 0.111 4.431 4.320 0.001 0.000 0.194 15 K C 0.202 176.870 176.600 0.113 0.000 1.027 15 K CA -0.249 56.108 56.287 0.116 0.000 1.075 15 K CB 0.278 32.846 32.500 0.113 0.000 0.845 15 K HN 0.144 nan 8.250 nan 0.000 0.529 16 C N 2.548 121.933 119.300 0.141 0.000 2.648 16 C HA 0.120 4.580 4.460 0.001 0.000 0.419 16 C C 1.743 176.798 174.990 0.108 0.000 1.352 16 C CA -0.461 58.631 59.018 0.122 0.000 1.816 16 C CB -0.743 27.101 27.740 0.174 0.000 2.598 16 C HN 0.493 nan 8.230 nan 0.000 0.598 17 I N 3.510 124.071 120.570 -0.014 0.000 3.976 17 I HA 0.342 4.513 4.170 0.001 0.000 0.337 17 I C 1.324 177.168 176.117 -0.455 0.000 1.359 17 I CA 0.440 61.685 61.300 -0.091 0.000 1.098 17 I CB -0.799 37.176 38.000 -0.041 0.000 1.027 17 I HN 0.858 nan 8.210 nan 0.000 0.394 18 G N 2.767 111.163 108.800 -0.673 0.000 2.323 18 G HA2 -0.335 3.626 3.960 0.001 0.000 0.292 18 G HA3 -0.335 3.626 3.960 0.001 0.000 0.292 18 G C 0.788 175.381 174.900 -0.513 0.000 1.040 18 G CA 0.492 44.950 45.100 -1.069 0.000 0.942 18 G HN 0.826 nan 8.290 nan 0.000 0.506 19 C N -3.261 115.884 119.300 -0.260 0.000 2.495 19 C HA 0.322 4.782 4.460 0.001 0.000 0.275 19 C C 1.733 176.783 174.990 0.101 0.000 1.392 19 C CA 0.881 59.868 59.018 -0.052 0.000 1.766 19 C CB -0.729 26.989 27.740 -0.037 0.000 1.933 19 C HN 0.906 nan 8.230 nan 0.000 0.519 20 H N -0.257 118.772 119.070 -0.068 0.000 3.415 20 H HA -0.181 4.376 4.556 0.001 0.000 0.213 20 H C 1.343 176.679 175.328 0.013 0.000 1.091 20 H CA 1.320 57.352 56.048 -0.028 0.000 1.182 20 H CB -2.158 27.565 29.762 -0.065 0.000 1.160 20 H HN 0.594 nan 8.280 nan 0.000 0.319 21 T N 0.277 114.885 114.554 0.091 0.000 2.759 21 T HA -0.212 4.139 4.350 0.001 0.000 0.269 21 T C 2.336 177.085 174.700 0.081 0.000 1.042 21 T CA 1.841 63.985 62.100 0.074 0.000 1.140 21 T CB -0.589 68.303 68.868 0.041 0.000 0.864 21 T HN 0.788 nan 8.240 nan 0.000 0.455 22 C N 1.349 120.695 119.300 0.077 0.000 2.422 22 C HA -0.014 4.447 4.460 0.001 0.000 0.279 22 C C 2.935 178.009 174.990 0.140 0.000 1.305 22 C CA 0.399 59.469 59.018 0.088 0.000 1.757 22 C CB -1.498 26.288 27.740 0.078 0.000 1.962 22 C HN 0.389 nan 8.230 nan 0.000 0.499 23 S N 1.461 117.275 115.700 0.190 0.000 2.371 23 S HA -0.056 4.415 4.470 0.001 0.000 0.224 23 S C 1.998 176.798 174.600 0.334 0.000 1.029 23 S CA 1.474 59.861 58.200 0.312 0.000 0.978 23 S CB -0.388 63.020 63.200 0.346 0.000 0.833 23 S HN 0.588 nan 8.310 nan 0.000 0.466 24 V N 2.612 122.681 119.914 0.259 0.000 2.358 24 V HA -0.177 3.944 4.120 0.001 0.000 0.246 24 V C 2.933 179.061 176.094 0.058 0.000 1.047 24 V CA 2.082 64.492 62.300 0.185 0.000 1.035 24 V CB -1.605 30.298 31.823 0.132 0.000 0.658 24 V HN 0.752 nan 8.190 nan 0.000 0.452 25 T N -2.633 111.947 114.554 0.043 0.000 2.821 25 T HA -0.261 4.090 4.350 0.001 0.000 0.267 25 T C 1.996 176.669 174.700 -0.045 0.000 1.046 25 T CA 1.564 63.652 62.100 -0.020 0.000 1.139 25 T CB -1.055 67.803 68.868 -0.016 0.000 0.871 25 T HN 0.489 nan 8.240 nan 0.000 0.454 26 C N 1.548 120.871 119.300 0.039 0.000 2.446 26 C HA 0.118 4.578 4.460 0.001 0.000 0.277 26 C C 2.823 177.788 174.990 -0.041 0.000 1.275 26 C CA 1.221 60.301 59.018 0.103 0.000 1.727 26 C CB -1.154 26.719 27.740 0.222 0.000 2.010 26 C HN 0.757 nan 8.230 nan 0.000 0.486 27 K N 0.955 121.273 120.400 -0.136 0.000 2.009 27 K HA -0.148 4.173 4.320 0.001 0.000 0.210 27 K C 1.887 178.307 176.600 -0.299 0.000 1.049 27 K CA 2.320 58.397 56.287 -0.351 0.000 0.929 27 K CB -0.348 31.834 32.500 -0.530 0.000 0.714 27 K HN 0.475 nan 8.250 nan 0.000 0.440 28 N N 0.193 118.758 118.700 -0.224 0.000 2.094 28 N HA -0.155 4.585 4.740 0.001 0.000 0.191 28 N C 1.725 177.060 175.510 -0.291 0.000 1.023 28 N CA 1.604 54.523 53.050 -0.220 0.000 0.857 28 N CB -0.285 38.103 38.487 -0.166 0.000 1.013 28 N HN 0.085 nan 8.380 nan 0.000 0.426 29 V N -1.114 118.565 119.914 -0.392 0.000 2.331 29 V HA -0.088 4.033 4.120 0.001 0.000 0.242 29 V C 1.636 177.337 176.094 -0.654 0.000 1.034 29 V CA 1.258 63.159 62.300 -0.665 0.000 1.027 29 V CB -0.512 30.665 31.823 -1.077 0.000 0.667 29 V HN 0.330 nan 8.190 nan 0.000 0.457 30 W N 0.321 121.515 121.300 -0.178 0.000 2.762 30 W HA 0.114 4.775 4.660 0.001 0.000 0.265 30 W C 1.562 177.871 176.519 -0.349 0.000 1.263 30 W CA 0.838 58.067 57.345 -0.193 0.000 1.411 30 W CB -0.038 29.379 29.460 -0.072 0.000 1.065 30 W HN 0.289 nan 8.180 nan 0.000 0.609 31 T N -3.975 110.401 114.554 -0.296 0.000 3.415 31 T HA 0.267 4.617 4.350 0.001 0.000 0.282 31 T C 0.136 174.588 174.700 -0.415 0.000 1.007 31 T CA -0.383 61.433 62.100 -0.474 0.000 0.958 31 T CB -0.085 68.277 68.868 -0.843 0.000 1.171 31 T HN -0.235 nan 8.240 nan 0.000 0.500 32 S N 2.206 117.725 115.700 -0.301 0.000 3.548 32 S HA 0.422 4.892 4.470 0.001 0.000 0.195 32 S C 0.069 174.548 174.600 -0.202 0.000 1.432 32 S CA -0.719 57.329 58.200 -0.254 0.000 1.087 32 S CB -0.127 62.945 63.200 -0.214 0.000 1.337 32 S HN 0.497 nan 8.310 nan 0.000 0.505 33 R N 0.958 121.325 120.500 -0.222 0.000 2.698 33 R HA 0.316 4.656 4.340 0.001 0.000 0.275 33 R C -0.696 175.469 176.300 -0.225 0.000 1.001 33 R CA -0.864 55.117 56.100 -0.199 0.000 0.896 33 R CB 1.668 31.850 30.300 -0.197 0.000 1.218 33 R HN 0.356 nan 8.270 nan 0.000 0.462 34 E N 0.530 120.597 120.200 -0.223 0.000 2.415 34 E HA 0.168 4.519 4.350 0.001 0.000 0.263 34 E C 0.526 176.776 176.600 -0.583 0.000 0.995 34 E CA 1.295 57.520 56.400 -0.292 0.000 0.915 34 E CB 0.409 29.963 29.700 -0.243 0.000 0.951 34 E HN 0.750 nan 8.360 nan 0.000 0.449 35 G N 2.503 110.790 108.800 -0.856 0.000 2.339 35 G HA2 -0.293 3.668 3.960 0.001 0.000 0.209 35 G HA3 -0.293 3.668 3.960 0.001 0.000 0.209 35 G C 0.577 175.175 174.900 -0.503 0.000 1.015 35 G CA 0.120 44.431 45.100 -1.316 0.000 0.635 35 G HN 1.096 nan 8.290 nan 0.000 0.499 36 V N -0.812 118.919 119.914 -0.305 0.000 3.166 36 V HA 0.480 4.601 4.120 0.001 0.000 0.332 36 V C 1.798 177.670 176.094 -0.371 0.000 1.434 36 V CA 1.059 63.169 62.300 -0.316 0.000 1.121 36 V CB 0.737 32.337 31.823 -0.372 0.000 1.062 36 V HN 0.449 nan 8.190 nan 0.000 0.489 37 E N 2.412 122.520 120.200 -0.153 0.000 2.153 37 E HA -0.273 4.078 4.350 0.001 0.000 0.194 37 E C 1.817 178.327 176.600 -0.150 0.000 0.988 37 E CA 2.223 58.524 56.400 -0.164 0.000 0.811 37 E CB -0.808 28.887 29.700 -0.007 0.000 0.746 37 E HN 0.903 nan 8.360 nan 0.000 0.466 38 Y N 0.667 120.914 120.300 -0.087 0.000 2.511 38 Y HA 0.563 5.114 4.550 0.001 0.000 0.279 38 Y C 0.931 176.926 175.900 0.159 0.000 1.157 38 Y CA -0.135 57.970 58.100 0.008 0.000 1.300 38 Y CB -0.035 38.309 38.460 -0.193 0.000 1.052 38 Y HN 0.059 nan 8.280 nan 0.000 0.529 39 A N 0.625 122.853 122.820 -0.986 0.000 2.301 39 A HA 0.432 4.752 4.320 0.001 0.000 0.298 39 A C -1.660 175.396 177.584 -0.879 0.000 1.185 39 A CA -0.449 50.936 52.037 -1.086 0.000 0.830 39 A CB -0.171 18.088 19.000 -1.234 0.000 1.112 39 A HN 0.514 nan 8.150 nan 0.000 0.508 40 W N 3.436 124.438 121.300 -0.496 0.000 2.443 40 W HA 0.429 5.089 4.660 0.001 0.000 0.303 40 W C 0.482 177.024 176.519 0.037 0.000 0.991 40 W CA -0.736 56.481 57.345 -0.213 0.000 1.522 40 W CB 0.278 29.648 29.460 -0.150 0.000 1.315 40 W HN 0.825 nan 8.180 nan 0.000 0.419 41 F N 1.121 121.073 119.950 0.003 0.000 2.147 41 F HA -0.294 4.233 4.527 0.001 0.000 0.301 41 F C 1.277 177.222 175.800 0.240 0.000 1.084 41 F CA 0.954 59.044 58.000 0.150 0.000 1.268 41 F CB -0.056 38.999 39.000 0.091 0.000 1.009 41 F HN 0.194 nan 8.300 nan 0.000 0.486 42 N N 0.654 119.615 118.700 0.435 0.000 2.372 42 N HA 0.151 4.892 4.740 0.001 0.000 0.285 42 N C -1.349 174.368 175.510 0.345 0.000 1.008 42 N CA -0.682 52.571 53.050 0.339 0.000 0.880 42 N CB 0.773 39.423 38.487 0.273 0.000 1.239 42 N HN 0.055 nan 8.380 nan 0.000 0.484 43 N N 2.032 120.905 118.700 0.288 0.000 2.284 43 N HA 0.375 5.116 4.740 0.001 0.000 0.289 43 N C -1.816 173.786 175.510 0.153 0.000 1.179 43 N CA -0.571 52.598 53.050 0.198 0.000 0.774 43 N CB 1.756 40.349 38.487 0.177 0.000 1.548 43 N HN 0.136 nan 8.380 nan 0.000 0.473 44 V N 0.765 120.730 119.914 0.086 0.000 2.417 44 V HA 0.414 4.534 4.120 0.001 0.000 0.291 44 V C -0.196 175.991 176.094 0.154 0.000 1.024 44 V CA -0.606 61.701 62.300 0.011 0.000 0.861 44 V CB 1.255 32.797 31.823 -0.468 0.000 0.985 44 V HN 0.689 nan 8.190 nan 0.000 0.436 45 E N 1.900 122.231 120.200 0.218 0.000 2.199 45 E HA 0.505 4.855 4.350 0.001 0.000 0.269 45 E C -0.820 175.940 176.600 0.267 0.000 0.899 45 E CA -0.617 55.946 56.400 0.272 0.000 0.772 45 E CB 2.089 31.990 29.700 0.335 0.000 1.155 45 E HN 0.629 nan 8.360 nan 0.000 0.408 46 T N 3.556 118.254 114.554 0.241 0.000 2.806 46 T HA 0.268 4.619 4.350 0.001 0.000 0.290 46 T C -0.226 174.503 174.700 0.048 0.000 0.966 46 T CA -0.673 61.501 62.100 0.125 0.000 1.060 46 T CB 0.541 69.484 68.868 0.124 0.000 0.927 46 T HN 0.066 nan 8.240 nan 0.000 0.485 47 K N 3.542 123.919 120.400 -0.039 0.000 2.203 47 K HA 0.473 4.794 4.320 0.001 0.000 0.251 47 K C -2.725 173.737 176.600 -0.231 0.000 0.944 47 K CA -2.671 53.596 56.287 -0.034 0.000 0.829 47 K CB 1.566 34.128 32.500 0.103 0.000 1.125 47 K HN 0.255 nan 8.250 nan 0.000 0.430 48 P HA 0.236 nan 4.420 nan 0.000 0.269 48 P C -0.319 176.942 177.300 -0.065 0.000 1.209 48 P CA 0.012 62.995 63.100 -0.196 0.000 0.776 48 P CB 0.693 32.230 31.700 -0.271 0.000 0.876 49 G N 1.123 109.940 108.800 0.029 0.000 2.338 49 G HA2 0.111 4.072 3.960 0.001 0.000 0.295 49 G HA3 0.111 4.072 3.960 0.001 0.000 0.295 49 G C -0.478 174.480 174.900 0.095 0.000 1.461 49 G CA -0.488 44.651 45.100 0.065 0.000 0.817 49 G HN 0.363 nan 8.290 nan 0.000 0.556 50 Q N -0.550 119.322 119.800 0.119 0.000 2.396 50 Q HA 0.375 4.715 4.340 0.001 0.000 0.209 50 Q C 1.428 177.560 176.000 0.221 0.000 0.906 50 Q CA 0.568 56.437 55.803 0.110 0.000 0.927 50 Q CB 0.878 29.678 28.738 0.103 0.000 1.069 50 Q HN 1.749 nan 8.270 nan 0.000 0.523 51 G N 1.874 110.869 108.800 0.326 0.000 2.642 51 G HA2 -0.304 3.656 3.960 0.001 0.000 0.231 51 G HA3 -0.304 3.656 3.960 0.001 0.000 0.231 51 G C -1.069 174.169 174.900 0.564 0.000 1.338 51 G CA -0.306 45.103 45.100 0.515 0.000 0.883 51 G HN 0.266 nan 8.290 nan 0.000 0.570 52 F N 3.275 123.467 119.950 0.405 0.000 2.496 52 F HA 0.646 5.173 4.527 0.001 0.000 0.341 52 F C -1.873 174.062 175.800 0.224 0.000 1.134 52 F CA -2.032 56.158 58.000 0.317 0.000 0.968 52 F CB 2.153 41.327 39.000 0.290 0.000 1.205 52 F HN 0.503 nan 8.300 nan 0.000 0.436 53 P HA 0.105 nan 4.420 nan 0.000 0.274 53 P C -0.554 176.812 177.300 0.110 0.000 1.246 53 P CA -0.244 62.676 63.100 -0.300 0.000 0.795 53 P CB 0.717 31.916 31.700 -0.835 0.000 1.006 54 T N 1.686 116.328 114.554 0.146 0.000 2.750 54 T HA -0.053 4.298 4.350 0.001 0.000 0.277 54 T C 0.524 175.375 174.700 0.252 0.000 0.996 54 T CA 1.342 63.570 62.100 0.213 0.000 1.195 54 T CB -1.217 67.746 68.868 0.159 0.000 0.963 54 T HN 0.681 nan 8.240 nan 0.000 0.516 55 D N 1.530 122.051 120.400 0.202 0.000 2.947 55 D HA -0.143 4.498 4.640 0.001 0.000 0.224 55 D C 1.034 177.427 176.300 0.155 0.000 1.132 55 D CA 0.916 54.984 54.000 0.113 0.000 0.801 55 D CB -1.048 39.824 40.800 0.121 0.000 1.097 55 D HN 0.845 nan 8.370 nan 0.000 0.431 56 W N -0.154 121.157 121.300 0.017 0.000 2.364 56 W HA -0.110 4.550 4.660 0.001 0.000 0.281 56 W C 1.244 177.690 176.519 -0.122 0.000 1.219 56 W CA 1.181 58.398 57.345 -0.214 0.000 1.220 56 W CB -0.857 28.465 29.460 -0.231 0.000 1.127 56 W HN 0.275 nan 8.180 nan 0.000 0.556 57 E N 0.847 120.569 120.200 -0.797 0.000 2.418 57 E HA -0.124 4.227 4.350 0.001 0.000 0.197 57 E C 0.478 176.876 176.600 -0.337 0.000 1.026 57 E CA 0.221 56.153 56.400 -0.779 0.000 0.862 57 E CB -0.321 28.757 29.700 -1.037 0.000 0.799 57 E HN 0.314 nan 8.360 nan 0.000 0.518 58 N N 1.466 120.070 118.700 -0.160 0.000 2.508 58 N HA -0.039 4.701 4.740 0.001 0.000 0.253 58 N C 0.776 176.267 175.510 -0.032 0.000 1.145 58 N CA -0.369 52.634 53.050 -0.078 0.000 0.973 58 N CB 0.346 38.805 38.487 -0.048 0.000 1.305 58 N HN -0.037 nan 8.380 nan 0.000 0.506 59 Q N 1.369 121.111 119.800 -0.096 0.000 2.369 59 Q HA -0.097 4.243 4.340 0.001 0.000 0.206 59 Q C 0.829 176.762 176.000 -0.112 0.000 0.963 59 Q CA 0.923 56.656 55.803 -0.116 0.000 0.894 59 Q CB 0.184 28.819 28.738 -0.173 0.000 0.965 59 Q HN 0.655 nan 8.270 nan 0.000 0.475 60 E N 0.647 120.786 120.200 -0.102 0.000 2.208 60 E HA -0.093 4.258 4.350 0.001 0.000 0.193 60 E C 1.730 178.233 176.600 -0.162 0.000 0.988 60 E CA 0.856 57.187 56.400 -0.116 0.000 0.828 60 E CB 0.093 29.741 29.700 -0.086 0.000 0.763 60 E HN 0.282 nan 8.360 nan 0.000 0.478 61 K N -0.996 119.299 120.400 -0.175 0.000 2.099 61 K HA -0.017 4.303 4.320 0.001 0.000 0.203 61 K C 1.200 177.579 176.600 -0.368 0.000 1.047 61 K CA 0.735 56.849 56.287 -0.287 0.000 0.963 61 K CB 0.003 32.287 32.500 -0.360 0.000 0.759 61 K HN 0.142 nan 8.250 nan 0.000 0.451 62 Y N 0.987 121.194 120.300 -0.154 0.000 2.500 62 Y HA 0.159 4.710 4.550 0.001 0.000 0.270 62 Y C -0.044 175.723 175.900 -0.221 0.000 1.134 62 Y CA -0.113 57.899 58.100 -0.147 0.000 1.293 62 Y CB 0.779 39.172 38.460 -0.111 0.000 1.063 62 Y HN -0.060 nan 8.280 nan 0.000 0.534 63 K N -0.010 120.301 120.400 -0.148 0.000 3.117 63 K HA -0.149 4.172 4.320 0.001 0.000 0.269 63 K C 0.167 176.670 176.600 -0.161 0.000 1.098 63 K CA 0.769 56.932 56.287 -0.206 0.000 0.785 63 K CB -2.118 30.180 32.500 -0.337 0.000 1.242 63 K HN 0.481 nan 8.250 nan 0.000 0.491 64 G N -0.533 108.160 108.800 -0.178 0.000 2.502 64 G HA2 0.672 4.633 3.960 0.001 0.000 0.305 64 G HA3 0.672 4.633 3.960 0.001 0.000 0.305 64 G C 0.686 175.404 174.900 -0.304 0.000 1.190 64 G CA 0.703 45.654 45.100 -0.248 0.000 0.933 64 G HN 0.804 nan 8.290 nan 0.000 0.503 65 G N -1.159 107.450 108.800 -0.318 0.000 2.681 65 G HA2 -0.090 3.870 3.960 0.001 0.000 0.220 65 G HA3 -0.090 3.870 3.960 0.001 0.000 0.220 65 G C -0.521 174.275 174.900 -0.173 0.000 1.353 65 G CA 0.004 44.974 45.100 -0.217 0.000 0.872 65 G HN 0.860 nan 8.290 nan 0.000 0.557 66 W N -0.507 120.797 121.300 0.007 0.000 2.655 66 W HA 0.722 5.382 4.660 0.001 0.000 0.358 66 W C 0.367 176.898 176.519 0.019 0.000 1.100 66 W CA -0.507 56.849 57.345 0.019 0.000 1.195 66 W CB 1.285 30.769 29.460 0.040 0.000 1.403 66 W HN 0.700 nan 8.180 nan 0.000 0.589 67 I N -0.852 119.900 120.570 0.304 0.000 2.689 67 I HA 0.594 4.765 4.170 0.001 0.000 0.299 67 I C -0.688 175.519 176.117 0.150 0.000 1.059 67 I CA -2.033 59.367 61.300 0.168 0.000 1.055 67 I CB 1.945 40.004 38.000 0.098 0.000 1.243 67 I HN 0.429 nan 8.210 nan 0.000 0.425 68 R N 3.852 124.406 120.500 0.090 0.000 2.229 68 R HA 0.466 4.807 4.340 0.001 0.000 0.328 68 R C -0.568 175.760 176.300 0.046 0.000 1.009 68 R CA -0.544 55.589 56.100 0.055 0.000 0.864 68 R CB 0.802 31.118 30.300 0.028 0.000 1.085 68 R HN 0.725 nan 8.270 nan 0.000 0.453 69 K N 3.731 124.158 120.400 0.045 0.000 2.138 69 K HA 0.104 4.425 4.320 0.001 0.000 0.251 69 K C 1.293 177.906 176.600 0.022 0.000 1.015 69 K CA -0.775 55.534 56.287 0.036 0.000 0.917 69 K CB 0.646 33.170 32.500 0.039 0.000 1.021 69 K HN 0.497 nan 8.250 nan 0.000 0.485 70 I N 2.147 122.728 120.570 0.018 0.000 2.315 70 I HA -0.285 3.886 4.170 0.001 0.000 0.251 70 I C 1.729 177.851 176.117 0.010 0.000 1.125 70 I CA 1.520 62.827 61.300 0.012 0.000 1.392 70 I CB -1.156 36.850 38.000 0.011 0.000 1.065 70 I HN 0.678 nan 8.210 nan 0.000 0.424 71 N N 1.224 119.931 118.700 0.012 0.000 2.521 71 N HA -0.041 4.699 4.740 0.001 0.000 0.188 71 N C 1.459 176.972 175.510 0.005 0.000 1.146 71 N CA 1.026 54.081 53.050 0.008 0.000 0.893 71 N CB -0.206 38.288 38.487 0.011 0.000 0.975 71 N HN 0.401 nan 8.380 nan 0.000 0.451 72 G N -0.262 108.541 108.800 0.005 0.000 2.179 72 G HA2 -0.255 3.705 3.960 0.001 0.000 0.260 72 G HA3 -0.255 3.705 3.960 0.001 0.000 0.260 72 G C -0.183 174.713 174.900 -0.008 0.000 0.977 72 G CA 0.143 45.241 45.100 -0.003 0.000 0.641 72 G HN 0.377 nan 8.290 nan 0.000 0.533 73 K N 0.164 120.566 120.400 0.004 0.000 2.110 73 K HA 0.636 4.957 4.320 0.001 0.000 0.263 73 K C 0.804 177.416 176.600 0.021 0.000 0.975 73 K CA -0.632 55.657 56.287 0.003 0.000 0.895 73 K CB 1.527 34.038 32.500 0.018 0.000 1.060 73 K HN 0.239 nan 8.250 nan 0.000 0.448 74 L N 1.589 122.814 121.223 0.002 0.000 2.399 74 L HA 0.319 4.659 4.340 0.001 0.000 0.266 74 L C 0.341 177.353 176.870 0.238 0.000 1.114 74 L CA -0.247 54.629 54.840 0.060 0.000 0.804 74 L CB 0.839 42.785 42.059 -0.189 0.000 1.146 74 L HN 0.533 nan 8.230 nan 0.000 0.451 75 Q N 2.698 122.728 119.800 0.385 0.000 2.353 75 Q HA 0.411 4.752 4.340 0.001 0.000 0.275 75 Q C -2.705 173.479 176.000 0.306 0.000 1.029 75 Q CA -1.753 54.253 55.803 0.338 0.000 0.848 75 Q CB 3.160 31.996 28.738 0.162 0.000 1.390 75 Q HN 0.222 nan 8.270 nan 0.000 0.401 76 P HA 0.015 nan 4.420 nan 0.000 0.266 76 P C -0.296 176.957 177.300 -0.079 0.000 1.195 76 P CA 0.153 63.121 63.100 -0.221 0.000 0.768 76 P CB 0.497 32.000 31.700 -0.329 0.000 0.838 77 R N 4.098 124.542 120.500 -0.094 0.000 2.193 77 R HA -0.118 4.222 4.340 0.001 0.000 0.229 77 R C 1.586 177.837 176.300 -0.081 0.000 1.110 77 R CA 1.356 57.420 56.100 -0.061 0.000 0.988 77 R CB -0.384 29.869 30.300 -0.078 0.000 0.871 77 R HN 0.538 nan 8.270 nan 0.000 0.458 78 M N -1.664 117.875 119.600 -0.102 0.000 2.618 78 M HA 0.273 4.754 4.480 0.001 0.000 0.240 78 M C 0.239 176.521 176.300 -0.029 0.000 1.123 78 M CA 0.840 56.100 55.300 -0.067 0.000 1.060 78 M CB 0.730 33.295 32.600 -0.059 0.000 1.535 78 M HN 0.105 nan 8.290 nan 0.000 0.507 79 G N 1.708 110.490 108.800 -0.030 0.000 2.392 79 G HA2 -0.136 3.825 3.960 0.001 0.000 0.677 79 G HA3 -0.136 3.825 3.960 0.001 0.000 0.677 79 G C -1.236 173.662 174.900 -0.004 0.000 1.334 79 G CA -0.471 44.624 45.100 -0.008 0.000 0.961 79 G HN 0.793 nan 8.290 nan 0.000 0.616 80 N N -0.841 117.864 118.700 0.009 0.000 2.327 80 N HA 0.332 5.073 4.740 0.001 0.000 0.257 80 N C 1.400 176.917 175.510 0.011 0.000 1.281 80 N CA -0.138 52.923 53.050 0.019 0.000 0.942 80 N CB 1.112 39.613 38.487 0.023 0.000 1.199 80 N HN 0.677 nan 8.380 nan 0.000 0.532 81 R N -0.274 120.237 120.500 0.019 0.000 2.139 81 R HA -0.183 4.158 4.340 0.001 0.000 0.243 81 R C 2.066 178.366 176.300 0.000 0.000 1.145 81 R CA 1.822 57.930 56.100 0.013 0.000 0.976 81 R CB -0.653 29.662 30.300 0.024 0.000 0.866 81 R HN 0.753 nan 8.270 nan 0.000 0.449 82 A N 0.030 122.851 122.820 0.001 0.000 1.898 82 A HA -0.154 4.167 4.320 0.001 0.000 0.216 82 A C 2.186 179.763 177.584 -0.012 0.000 1.181 82 A CA 1.487 53.519 52.037 -0.007 0.000 0.620 82 A CB -0.426 18.571 19.000 -0.005 0.000 0.819 82 A HN 0.448 nan 8.150 nan 0.000 0.442 83 M N -0.735 118.861 119.600 -0.007 0.000 2.254 83 M HA 0.019 4.500 4.480 0.001 0.000 0.265 83 M C 1.886 178.178 176.300 -0.012 0.000 1.066 83 M CA 0.925 56.221 55.300 -0.006 0.000 1.123 83 M CB -0.210 32.391 32.600 0.002 0.000 1.388 83 M HN 0.436 nan 8.290 nan 0.000 0.425 84 L N -0.033 121.180 121.223 -0.018 0.000 1.961 84 L HA -0.252 4.088 4.340 0.001 0.000 0.210 84 L C 2.208 179.042 176.870 -0.061 0.000 1.072 84 L CA 1.421 56.243 54.840 -0.029 0.000 0.749 84 L CB -0.732 41.315 42.059 -0.021 0.000 0.889 84 L HN 0.321 nan 8.230 nan 0.000 0.432 85 L N -0.454 120.724 121.223 -0.075 0.000 2.265 85 L HA -0.142 4.198 4.340 0.001 0.000 0.215 85 L C 2.487 179.316 176.870 -0.068 0.000 1.117 85 L CA 1.003 55.760 54.840 -0.139 0.000 0.782 85 L CB -0.860 41.133 42.059 -0.110 0.000 0.914 85 L HN 0.346 nan 8.230 nan 0.000 0.441 86 G N -0.289 108.499 108.800 -0.020 0.000 2.403 86 G HA2 -0.180 3.780 3.960 0.001 0.000 0.216 86 G HA3 -0.180 3.780 3.960 0.001 0.000 0.216 86 G C 1.559 176.491 174.900 0.054 0.000 1.154 86 G CA 0.100 45.218 45.100 0.029 0.000 0.784 86 G HN 0.302 nan 8.290 nan 0.000 0.538 87 K N 0.016 120.412 120.400 -0.008 0.000 2.555 87 K HA 0.216 4.537 4.320 0.001 0.000 0.193 87 K C 1.933 178.491 176.600 -0.071 0.000 1.032 87 K CA -0.089 56.186 56.287 -0.020 0.000 1.004 87 K CB -0.025 32.465 32.500 -0.017 0.000 0.804 87 K HN 0.349 nan 8.250 nan 0.000 0.496 88 I N -0.149 120.323 120.570 -0.163 0.000 2.493 88 I HA -0.225 3.946 4.170 0.001 0.000 0.254 88 I C 1.363 177.216 176.117 -0.440 0.000 1.160 88 I CA 1.403 62.443 61.300 -0.434 0.000 1.445 88 I CB -0.037 37.423 38.000 -0.899 0.000 1.086 88 I HN 0.100 nan 8.210 nan 0.000 0.433 89 F N 0.544 120.404 119.950 -0.149 0.000 2.437 89 F HA 0.329 4.857 4.527 0.001 0.000 0.288 89 F C 1.038 176.793 175.800 -0.075 0.000 1.085 89 F CA 0.078 58.021 58.000 -0.095 0.000 1.430 89 F CB 0.116 39.061 39.000 -0.091 0.000 1.120 89 F HN -0.150 nan 8.300 nan 0.000 0.556 90 A N 0.511 123.390 122.820 0.098 0.000 2.446 90 A HA 0.493 4.814 4.320 0.001 0.000 0.282 90 A C -1.321 176.243 177.584 -0.033 0.000 1.102 90 A CA -0.515 51.532 52.037 0.017 0.000 0.737 90 A CB 0.395 19.404 19.000 0.014 0.000 1.212 90 A HN 0.043 nan 8.150 nan 0.000 0.434 91 N N 4.189 122.852 118.700 -0.061 0.000 2.569 91 N HA 0.372 5.112 4.740 0.001 0.000 0.254 91 N C -1.970 173.449 175.510 -0.151 0.000 1.004 91 N CA -1.753 51.244 53.050 -0.087 0.000 0.904 91 N CB 2.013 40.473 38.487 -0.044 0.000 1.165 91 N HN 0.373 nan 8.380 nan 0.000 0.513 92 P HA 0.033 nan 4.420 nan 0.000 0.242 92 P C 0.036 177.078 177.300 -0.429 0.000 1.197 92 P CA 0.716 63.587 63.100 -0.381 0.000 0.765 92 P CB 0.342 31.767 31.700 -0.460 0.000 0.936 93 H N -0.910 118.145 119.070 -0.026 0.000 2.652 93 H HA 0.261 4.818 4.556 0.001 0.000 0.274 93 H C 0.990 176.340 175.328 0.037 0.000 1.021 93 H CA -0.461 55.574 56.048 -0.021 0.000 1.187 93 H CB 0.147 29.898 29.762 -0.017 0.000 1.505 93 H HN 0.155 nan 8.280 nan 0.000 0.530 94 L N 3.466 124.746 121.223 0.095 0.000 2.540 94 L HA 0.043 4.383 4.340 0.001 0.000 0.276 94 L C -1.786 175.164 176.870 0.134 0.000 1.212 94 L CA -1.412 53.489 54.840 0.101 0.000 0.893 94 L CB 0.002 42.075 42.059 0.023 0.000 1.138 94 L HN -0.108 nan 8.230 nan 0.000 0.491 95 P HA 0.085 nan 4.420 nan 0.000 0.268 95 P C 0.067 177.460 177.300 0.155 0.000 1.204 95 P CA -0.136 63.073 63.100 0.182 0.000 0.768 95 P CB 0.776 32.482 31.700 0.010 0.000 0.842 96 G N 1.506 110.364 108.800 0.097 0.000 2.547 96 G HA2 0.169 4.130 3.960 0.001 0.000 0.291 96 G HA3 0.169 4.130 3.960 0.001 0.000 0.291 96 G C 0.800 175.794 174.900 0.157 0.000 1.211 96 G CA -0.520 44.634 45.100 0.091 0.000 0.950 96 G HN 0.483 nan 8.290 nan 0.000 0.504 97 I N -0.537 120.089 120.570 0.093 0.000 2.454 97 I HA -0.090 4.080 4.170 0.001 0.000 0.254 97 I C 1.641 177.835 176.117 0.128 0.000 1.156 97 I CA 1.197 62.542 61.300 0.073 0.000 1.433 97 I CB -0.006 37.912 38.000 -0.137 0.000 1.082 97 I HN 0.359 nan 8.210 nan 0.000 0.432 98 D N 0.334 120.780 120.400 0.077 0.000 2.347 98 D HA -0.100 4.541 4.640 0.001 0.000 0.215 98 D C 1.565 177.923 176.300 0.095 0.000 0.976 98 D CA 0.638 54.684 54.000 0.078 0.000 0.884 98 D CB -0.166 40.651 40.800 0.029 0.000 0.915 98 D HN 0.410 nan 8.370 nan 0.000 0.526 99 D N -0.623 119.811 120.400 0.056 0.000 2.234 99 D HA -0.081 4.559 4.640 0.001 0.000 0.205 99 D C 1.324 177.595 176.300 -0.047 0.000 0.962 99 D CA 0.686 54.670 54.000 -0.027 0.000 0.855 99 D CB 0.232 40.962 40.800 -0.117 0.000 0.951 99 D HN 0.312 nan 8.370 nan 0.000 0.500 100 Y N -0.375 120.055 120.300 0.217 0.000 2.414 100 Y HA 0.134 4.684 4.550 0.001 0.000 0.248 100 Y C 0.440 176.723 175.900 0.638 0.000 1.054 100 Y CA 0.019 58.368 58.100 0.414 0.000 1.156 100 Y CB 0.010 38.739 38.460 0.448 0.000 1.051 100 Y HN -0.090 nan 8.280 nan 0.000 0.485 101 Y N -2.123 118.478 120.300 0.501 0.000 2.721 101 Y HA 0.257 4.807 4.550 0.001 0.000 0.357 101 Y C -1.298 174.743 175.900 0.234 0.000 1.183 101 Y CA -1.877 56.404 58.100 0.302 0.000 1.231 101 Y CB 0.528 39.184 38.460 0.326 0.000 1.390 101 Y HN 0.163 nan 8.280 nan 0.000 0.488 102 E N 5.690 125.957 120.200 0.113 0.000 2.129 102 E HA 0.349 4.699 4.350 0.001 0.000 0.283 102 E C -2.380 174.236 176.600 0.027 0.000 1.080 102 E CA -2.195 54.185 56.400 -0.033 0.000 0.867 102 E CB 0.863 30.579 29.700 0.027 0.000 1.056 102 E HN 0.444 nan 8.360 nan 0.000 0.404 103 P HA -0.005 nan 4.420 nan 0.000 0.266 103 P C -0.987 176.341 177.300 0.047 0.000 1.195 103 P CA 0.281 63.305 63.100 -0.127 0.000 0.768 103 P CB 0.122 31.757 31.700 -0.110 0.000 0.838 104 F N -0.017 120.005 119.950 0.120 0.000 2.640 104 F HA 0.844 5.372 4.527 0.002 0.000 0.324 104 F C -0.645 175.097 175.800 -0.097 0.000 1.077 104 F CA -1.156 56.815 58.000 -0.048 0.000 0.965 104 F CB 1.183 40.098 39.000 -0.140 0.000 1.351 104 F HN 0.149 nan 8.300 nan 0.000 0.487 105 D N -0.634 119.771 120.400 0.009 0.000 2.744 105 D HA 0.590 5.230 4.640 0.001 0.000 0.304 105 D C -1.937 174.078 176.300 -0.475 0.000 1.179 105 D CA -0.508 53.468 54.000 -0.041 0.000 1.024 105 D CB 2.410 43.248 40.800 0.064 0.000 1.453 105 D HN 0.411 nan 8.370 nan 0.000 0.529 106 F N 0.084 120.006 119.950 -0.046 0.000 2.588 106 F HA 0.272 4.799 4.527 0.001 0.000 0.310 106 F C 0.120 175.669 175.800 -0.418 0.000 1.082 106 F CA -0.836 56.969 58.000 -0.325 0.000 0.929 106 F CB 1.724 40.348 39.000 -0.628 0.000 1.254 106 F HN -0.034 nan 8.300 nan 0.000 0.455 107 D N 2.581 122.932 120.400 -0.082 0.000 2.688 107 D HA 0.046 4.686 4.640 0.001 0.000 0.228 107 D C 0.838 177.143 176.300 0.009 0.000 1.116 107 D CA 0.362 54.352 54.000 -0.016 0.000 1.023 107 D CB -0.268 40.546 40.800 0.023 0.000 1.100 107 D HN 0.457 nan 8.370 nan 0.000 0.487 108 Y N 0.715 121.120 120.300 0.176 0.000 2.207 108 Y HA -0.213 4.337 4.550 0.001 0.000 0.287 108 Y C 2.442 178.459 175.900 0.195 0.000 1.156 108 Y CA 0.866 59.071 58.100 0.175 0.000 1.182 108 Y CB -0.127 38.429 38.460 0.160 0.000 0.979 108 Y HN 0.172 nan 8.280 nan 0.000 0.521 109 Q N 0.181 120.130 119.800 0.249 0.000 2.234 109 Q HA -0.221 4.120 4.340 0.001 0.000 0.206 109 Q C 1.842 177.963 176.000 0.201 0.000 0.980 109 Q CA 1.347 57.236 55.803 0.143 0.000 0.869 109 Q CB -0.673 28.091 28.738 0.043 0.000 0.912 109 Q HN 0.532 nan 8.270 nan 0.000 0.436 110 N N 0.395 119.193 118.700 0.162 0.000 2.289 110 N HA -0.106 4.635 4.740 0.001 0.000 0.184 110 N C 1.593 177.185 175.510 0.138 0.000 1.016 110 N CA 0.691 53.815 53.050 0.122 0.000 0.872 110 N CB -0.125 38.411 38.487 0.082 0.000 0.973 110 N HN 0.218 nan 8.380 nan 0.000 0.433 111 L N -1.073 120.264 121.223 0.190 0.000 2.141 111 L HA -0.120 4.220 4.340 0.001 0.000 0.209 111 L C 1.642 178.550 176.870 0.065 0.000 1.094 111 L CA 1.011 55.918 54.840 0.113 0.000 0.763 111 L CB -0.448 41.672 42.059 0.101 0.000 0.908 111 L HN 0.309 nan 8.230 nan 0.000 0.437 112 H N -1.178 117.928 119.070 0.061 0.000 2.384 112 H HA -0.048 4.509 4.556 0.001 0.000 0.300 112 H C 2.261 177.611 175.328 0.037 0.000 1.057 112 H CA 1.640 57.716 56.048 0.047 0.000 1.370 112 H CB -0.137 29.655 29.762 0.050 0.000 1.417 112 H HN 0.279 nan 8.280 nan 0.000 0.527 113 T N -1.851 112.810 114.554 0.177 0.000 3.086 113 T HA 0.426 4.777 4.350 0.001 0.000 0.250 113 T C 1.084 175.826 174.700 0.070 0.000 1.074 113 T CA 0.058 62.220 62.100 0.103 0.000 0.988 113 T CB -0.359 68.559 68.868 0.083 0.000 0.988 113 T HN 0.373 nan 8.240 nan 0.000 0.530 114 A N 4.113 126.972 122.820 0.066 0.000 2.584 114 A HA 0.409 4.729 4.320 0.001 0.000 0.239 114 A C -1.369 176.236 177.584 0.035 0.000 1.043 114 A CA -0.887 51.177 52.037 0.045 0.000 0.756 114 A CB -0.314 18.708 19.000 0.038 0.000 0.963 114 A HN 0.472 nan 8.150 nan 0.000 0.511 115 P HA 0.129 nan 4.420 nan 0.000 0.274 115 P C -0.115 177.196 177.300 0.019 0.000 1.237 115 P CA -0.466 62.648 63.100 0.024 0.000 0.793 115 P CB 0.540 32.253 31.700 0.021 0.000 0.977 116 E N 0.292 120.502 120.200 0.016 0.000 2.442 116 E HA 0.173 4.524 4.350 0.001 0.000 0.262 116 E C 0.916 177.523 176.600 0.011 0.000 1.004 116 E CA 0.686 57.094 56.400 0.013 0.000 0.928 116 E CB -0.426 29.281 29.700 0.012 0.000 0.937 116 E HN 0.794 nan 8.360 nan 0.000 0.446 117 G N 2.976 111.781 108.800 0.010 0.000 2.160 117 G HA2 -0.276 3.684 3.960 0.001 0.000 0.251 117 G HA3 -0.276 3.684 3.960 0.001 0.000 0.251 117 G C 0.059 174.965 174.900 0.009 0.000 1.008 117 G CA 0.373 45.478 45.100 0.009 0.000 0.724 117 G HN 0.495 nan 8.290 nan 0.000 0.514 118 S N 0.137 115.843 115.700 0.011 0.000 2.549 118 S HA 0.268 4.738 4.470 0.001 0.000 0.286 118 S C 1.539 176.145 174.600 0.009 0.000 1.314 118 S CA -0.206 58.001 58.200 0.012 0.000 1.062 118 S CB 1.208 64.417 63.200 0.014 0.000 0.865 118 S HN 0.305 nan 8.310 nan 0.000 0.498 119 K N 1.255 121.661 120.400 0.009 0.000 2.288 119 K HA 0.014 4.335 4.320 0.001 0.000 0.201 119 K C 0.965 177.569 176.600 0.007 0.000 1.048 119 K CA 0.466 56.758 56.287 0.008 0.000 0.956 119 K CB -0.202 32.302 32.500 0.008 0.000 0.746 119 K HN 0.765 nan 8.250 nan 0.000 0.461 120 S N -1.137 114.568 115.700 0.008 0.000 2.651 120 S HA 0.218 4.688 4.470 0.001 0.000 0.279 120 S C -0.586 174.019 174.600 0.008 0.000 1.148 120 S CA -0.995 57.209 58.200 0.008 0.000 0.837 120 S CB 2.114 65.319 63.200 0.008 0.000 1.138 120 S HN 0.087 nan 8.310 nan 0.000 0.478 121 Q N 1.143 120.947 119.800 0.007 0.000 2.274 121 Q HA 0.235 4.575 4.340 0.001 0.000 0.280 121 Q C -2.218 173.789 176.000 0.010 0.000 1.047 121 Q CA -1.103 54.704 55.803 0.006 0.000 0.907 121 Q CB -0.097 28.643 28.738 0.003 0.000 1.171 121 Q HN 0.419 nan 8.270 nan 0.000 0.381 122 P HA 0.120 nan 4.420 nan 0.000 0.269 122 P C -0.960 176.352 177.300 0.021 0.000 1.209 122 P CA -0.029 63.083 63.100 0.021 0.000 0.776 122 P CB 0.519 32.235 31.700 0.026 0.000 0.876 123 I N 0.972 121.558 120.570 0.027 0.000 3.095 123 I HA 0.610 4.780 4.170 0.001 0.000 0.310 123 I C -1.307 174.829 176.117 0.032 0.000 1.196 123 I CA -1.186 60.128 61.300 0.023 0.000 0.985 123 I CB 2.138 40.148 38.000 0.016 0.000 1.250 123 I HN 0.337 nan 8.210 nan 0.000 0.446 124 A N 5.367 128.199 122.820 0.020 0.000 2.273 124 A HA 0.726 5.046 4.320 0.001 0.000 0.320 124 A C -0.284 177.349 177.584 0.082 0.000 1.358 124 A CA -0.546 51.500 52.037 0.016 0.000 0.910 124 A CB 0.124 19.082 19.000 -0.069 0.000 1.159 124 A HN 0.643 nan 8.150 nan 0.000 0.526 125 R N 2.907 123.463 120.500 0.093 0.000 2.528 125 R HA 0.439 4.779 4.340 0.001 0.000 0.271 125 R C -2.448 173.929 176.300 0.129 0.000 1.056 125 R CA -1.739 54.437 56.100 0.126 0.000 1.117 125 R CB 0.785 31.117 30.300 0.053 0.000 1.085 125 R HN 0.498 nan 8.270 nan 0.000 0.530 126 P HA 0.127 nan 4.420 nan 0.000 0.274 126 P C -1.131 176.059 177.300 -0.184 0.000 1.231 126 P CA -0.172 62.740 63.100 -0.313 0.000 0.790 126 P CB 1.060 32.538 31.700 -0.369 0.000 0.951 127 R N 0.887 121.266 120.500 -0.203 0.000 2.651 127 R HA 0.381 4.722 4.340 0.001 0.000 0.278 127 R C -0.631 175.645 176.300 -0.040 0.000 1.010 127 R CA -0.650 55.400 56.100 -0.083 0.000 0.896 127 R CB 1.721 31.990 30.300 -0.050 0.000 1.211 127 R HN 0.469 nan 8.270 nan 0.000 0.456 128 S N 3.217 118.908 115.700 -0.015 0.000 2.531 128 S HA 0.154 4.625 4.470 0.001 0.000 0.279 128 S C 1.127 175.730 174.600 0.004 0.000 1.305 128 S CA -0.444 57.760 58.200 0.006 0.000 1.058 128 S CB 0.551 63.735 63.200 -0.027 0.000 0.899 128 S HN 0.638 nan 8.310 nan 0.000 0.493 129 L N 5.195 126.430 121.223 0.020 0.000 2.554 129 L HA 0.051 4.391 4.340 0.001 0.000 0.226 129 L C 1.300 178.186 176.870 0.028 0.000 1.137 129 L CA 0.131 55.002 54.840 0.052 0.000 0.863 129 L CB -0.188 41.922 42.059 0.084 0.000 0.985 129 L HN 0.697 nan 8.230 nan 0.000 0.451 130 I N -0.673 119.827 120.570 -0.116 0.000 2.681 130 I HA -0.096 4.075 4.170 0.001 0.000 0.247 130 I C 2.562 178.544 176.117 -0.225 0.000 1.091 130 I CA 1.695 62.789 61.300 -0.343 0.000 1.442 130 I CB -1.167 36.540 38.000 -0.488 0.000 1.219 130 I HN 0.251 nan 8.210 nan 0.000 0.451 131 T N -1.706 112.761 114.554 -0.145 0.000 3.065 131 T HA 0.189 4.540 4.350 0.001 0.000 0.252 131 T C 1.629 176.305 174.700 -0.041 0.000 1.099 131 T CA 0.775 62.820 62.100 -0.091 0.000 1.063 131 T CB 0.161 68.981 68.868 -0.080 0.000 0.948 131 T HN 0.508 nan 8.240 nan 0.000 0.506 132 G N 1.237 110.022 108.800 -0.025 0.000 2.189 132 G HA2 -0.250 3.711 3.960 0.001 0.000 0.267 132 G HA3 -0.250 3.711 3.960 0.001 0.000 0.267 132 G C -0.175 174.721 174.900 -0.007 0.000 0.975 132 G CA 0.428 45.528 45.100 -0.001 0.000 0.644 132 G HN 0.682 nan 8.290 nan 0.000 0.537 133 E N -0.290 119.899 120.200 -0.018 0.000 2.250 133 E HA 0.506 4.856 4.350 0.001 0.000 0.269 133 E C 0.593 177.182 176.600 -0.020 0.000 1.018 133 E CA -1.133 55.257 56.400 -0.016 0.000 0.873 133 E CB 0.934 30.622 29.700 -0.020 0.000 1.134 133 E HN 0.253 nan 8.360 nan 0.000 0.403 134 R N 1.714 122.204 120.500 -0.016 0.000 2.585 134 R HA 0.011 4.352 4.340 0.001 0.000 0.275 134 R C -0.713 175.572 176.300 -0.025 0.000 1.018 134 R CA 0.849 56.938 56.100 -0.020 0.000 1.072 134 R CB 0.177 30.471 30.300 -0.010 0.000 0.953 134 R HN 0.464 nan 8.270 nan 0.000 0.419 135 M N 4.796 124.374 119.600 -0.038 0.000 2.205 135 M HA 0.316 4.797 4.480 0.001 0.000 0.344 135 M C 0.856 177.137 176.300 -0.031 0.000 1.085 135 M CA -0.420 54.856 55.300 -0.040 0.000 1.001 135 M CB 2.178 34.740 32.600 -0.064 0.000 1.626 135 M HN 0.905 nan 8.290 nan 0.000 0.442 136 A N 3.718 126.526 122.820 -0.020 0.000 1.930 136 A HA 0.006 4.326 4.320 0.001 0.000 0.217 136 A C 0.854 178.434 177.584 -0.005 0.000 1.175 136 A CA 1.452 53.484 52.037 -0.008 0.000 0.627 136 A CB 0.212 19.210 19.000 -0.004 0.000 0.815 136 A HN 0.742 nan 8.150 nan 0.000 0.443 137 K N -0.866 119.526 120.400 -0.015 0.000 2.557 137 K HA 0.525 4.845 4.320 0.001 0.000 0.261 137 K C -1.864 174.716 176.600 -0.033 0.000 0.932 137 K CA -0.640 55.643 56.287 -0.006 0.000 0.829 137 K CB 1.288 33.798 32.500 0.017 0.000 1.358 137 K HN 0.163 nan 8.250 nan 0.000 0.430 138 I N 3.819 124.365 120.570 -0.039 0.000 2.352 138 I HA 0.117 4.287 4.170 0.001 0.000 0.290 138 I C 0.809 176.925 176.117 -0.002 0.000 1.036 138 I CA 0.082 61.326 61.300 -0.094 0.000 1.336 138 I CB 1.142 39.000 38.000 -0.236 0.000 1.407 138 I HN 0.641 nan 8.210 nan 0.000 0.497 139 E N 5.576 125.676 120.200 -0.168 0.000 2.562 139 E HA 0.196 4.546 4.350 0.001 0.000 0.214 139 E C -0.110 175.897 176.600 -0.988 0.000 0.979 139 E CA 0.002 56.216 56.400 -0.309 0.000 1.002 139 E CB 1.178 30.791 29.700 -0.145 0.000 1.048 139 E HN 0.476 nan 8.360 nan 0.000 0.488 140 K N -0.217 119.517 120.400 -1.110 0.000 2.587 140 K HA 0.529 4.850 4.320 0.001 0.000 0.276 140 K C -1.349 175.037 176.600 -0.356 0.000 0.956 140 K CA -0.532 55.027 56.287 -1.214 0.000 0.857 140 K CB 2.141 34.381 32.500 -0.433 0.000 1.431 140 K HN 0.082 nan 8.250 nan 0.000 0.420 141 G N 1.002 109.785 108.800 -0.028 0.000 2.682 141 G HA2 0.433 4.393 3.960 0.001 0.000 0.290 141 G HA3 0.433 4.393 3.960 0.001 0.000 0.290 141 G C -2.534 172.244 174.900 -0.203 0.000 1.425 141 G CA -1.024 44.077 45.100 0.001 0.000 0.807 141 G HN 0.366 nan 8.290 nan 0.000 0.482 142 P HA -0.033 nan 4.420 nan 0.000 0.233 142 P C 0.378 177.456 177.300 -0.369 0.000 1.167 142 P CA 0.879 63.593 63.100 -0.644 0.000 0.770 142 P CB 0.486 31.372 31.700 -1.357 0.000 0.837 143 N N -1.332 117.235 118.700 -0.221 0.000 2.517 143 N HA 0.032 4.772 4.740 0.001 0.000 0.285 143 N C 0.873 176.428 175.510 0.075 0.000 1.528 143 N CA -0.546 52.453 53.050 -0.085 0.000 0.892 143 N CB 0.010 38.327 38.487 -0.282 0.000 1.356 143 N HN 0.005 nan 8.380 nan 0.000 0.495 144 W N 1.213 122.493 121.300 -0.035 0.000 2.342 144 W HA -0.125 4.535 4.660 0.000 0.000 0.297 144 W C 0.515 177.060 176.519 0.043 0.000 1.213 144 W CA 1.255 58.611 57.345 0.019 0.000 1.251 144 W CB 0.360 29.858 29.460 0.063 0.000 1.136 144 W HN 0.346 nan 8.180 nan 0.000 0.526 145 E N 0.019 120.350 120.200 0.218 0.000 2.494 145 E HA -0.076 4.275 4.350 0.001 0.000 0.193 145 E C 0.018 176.666 176.600 0.079 0.000 1.074 145 E CA -0.204 56.275 56.400 0.132 0.000 0.867 145 E CB -0.323 29.477 29.700 0.166 0.000 0.924 145 E HN 0.082 nan 8.360 nan 0.000 0.502 146 D N 1.942 122.381 120.400 0.065 0.000 2.648 146 D HA -0.143 4.498 4.640 0.001 0.000 0.229 146 D C -0.349 176.002 176.300 0.084 0.000 1.119 146 D CA 0.633 54.693 54.000 0.101 0.000 0.850 146 D CB 0.284 41.109 40.800 0.042 0.000 1.169 146 D HN -0.040 nan 8.370 nan 0.000 0.489 147 D N 3.380 123.869 120.400 0.148 0.000 2.697 147 D HA -0.220 4.420 4.640 0.001 0.000 0.235 147 D C 0.440 176.767 176.300 0.044 0.000 1.167 147 D CA 0.691 54.753 54.000 0.104 0.000 0.656 147 D CB -1.044 39.829 40.800 0.122 0.000 1.025 147 D HN 0.656 nan 8.370 nan 0.000 0.419 148 L N -2.688 118.549 121.223 0.024 0.000 3.634 148 L HA -0.216 4.124 4.340 0.001 0.000 0.423 148 L C 1.147 178.039 176.870 0.038 0.000 1.253 148 L CA 0.742 55.597 54.840 0.026 0.000 0.885 148 L CB -1.830 40.251 42.059 0.038 0.000 1.789 148 L HN 0.448 nan 8.230 nan 0.000 0.904 149 G N 0.417 109.227 108.800 0.016 0.000 2.360 149 G HA2 0.540 4.501 3.960 0.001 0.000 0.279 149 G HA3 0.540 4.501 3.960 0.001 0.000 0.279 149 G C 0.636 175.549 174.900 0.021 0.000 1.189 149 G CA 0.636 45.727 45.100 -0.017 0.000 0.941 149 G HN 0.879 nan 8.290 nan 0.000 0.445 150 G N 2.045 110.870 108.800 0.042 0.000 2.484 150 G HA2 0.109 4.070 3.960 0.001 0.000 0.685 150 G HA3 0.109 4.070 3.960 0.001 0.000 0.685 150 G C -0.510 174.443 174.900 0.088 0.000 1.294 150 G CA -1.040 44.107 45.100 0.078 0.000 0.879 150 G HN 0.768 nan 8.290 nan 0.000 0.646 151 E N 0.136 120.392 120.200 0.093 0.000 2.452 151 E HA 0.306 4.657 4.350 0.001 0.000 0.261 151 E C 1.027 177.701 176.600 0.124 0.000 0.987 151 E CA -0.067 56.401 56.400 0.113 0.000 0.926 151 E CB 0.425 30.181 29.700 0.094 0.000 0.934 151 E HN 0.501 nan 8.360 nan 0.000 0.452 152 F N 2.926 122.894 119.950 0.031 0.000 2.065 152 F HA -0.263 4.264 4.527 0.001 0.000 0.298 152 F C 1.424 177.237 175.800 0.022 0.000 1.112 152 F CA 1.947 59.961 58.000 0.022 0.000 1.212 152 F CB 0.081 39.091 39.000 0.016 0.000 0.975 152 F HN 0.480 nan 8.300 nan 0.000 0.476 153 D N 0.013 120.495 120.400 0.137 0.000 2.315 153 D HA -0.198 4.443 4.640 0.001 0.000 0.211 153 D C 2.073 178.350 176.300 -0.039 0.000 0.977 153 D CA 1.052 55.075 54.000 0.038 0.000 0.894 153 D CB -0.327 40.521 40.800 0.080 0.000 0.910 153 D HN 0.391 nan 8.370 nan 0.000 0.490 154 K N 0.096 120.477 120.400 -0.032 0.000 2.128 154 K HA 0.071 4.392 4.320 0.001 0.000 0.202 154 K C 2.134 178.700 176.600 -0.056 0.000 1.050 154 K CA 0.121 56.399 56.287 -0.016 0.000 0.966 154 K CB 0.111 32.630 32.500 0.031 0.000 0.759 154 K HN 0.050 nan 8.250 nan 0.000 0.454 155 L N 0.700 121.844 121.223 -0.131 0.000 2.141 155 L HA -0.071 4.270 4.340 0.001 0.000 0.209 155 L C 2.287 179.038 176.870 -0.199 0.000 1.094 155 L CA 0.971 55.712 54.840 -0.164 0.000 0.763 155 L CB -0.395 41.517 42.059 -0.245 0.000 0.908 155 L HN 0.207 nan 8.230 nan 0.000 0.437 156 A N -0.371 122.236 122.820 -0.355 0.000 2.248 156 A HA -0.099 4.222 4.320 0.001 0.000 0.210 156 A C 1.965 179.552 177.584 0.005 0.000 1.174 156 A CA 0.759 52.667 52.037 -0.215 0.000 0.750 156 A CB -0.345 18.370 19.000 -0.476 0.000 0.780 156 A HN 0.289 nan 8.150 nan 0.000 0.478 157 K N 0.662 121.058 120.400 -0.007 0.000 2.525 157 K HA -0.051 4.270 4.320 0.001 0.000 0.192 157 K C -0.027 176.609 176.600 0.059 0.000 1.029 157 K CA -0.004 56.297 56.287 0.023 0.000 1.029 157 K CB -0.122 32.382 32.500 0.007 0.000 0.814 157 K HN 0.462 nan 8.250 nan 0.000 0.503 158 D N 2.513 122.976 120.400 0.105 0.000 2.658 158 D HA -0.125 4.516 4.640 0.001 0.000 0.230 158 D C 0.931 177.282 176.300 0.084 0.000 1.118 158 D CA 0.607 54.668 54.000 0.100 0.000 0.848 158 D CB 0.924 41.839 40.800 0.193 0.000 1.160 158 D HN -0.019 nan 8.370 nan 0.000 0.497 159 K N 3.256 123.638 120.400 -0.031 0.000 2.280 159 K HA -0.145 4.176 4.320 0.001 0.000 0.202 159 K C 1.223 177.787 176.600 -0.060 0.000 1.047 159 K CA 1.293 57.547 56.287 -0.055 0.000 0.942 159 K CB 0.042 32.459 32.500 -0.139 0.000 0.739 159 K HN 0.425 nan 8.250 nan 0.000 0.457 160 N N -0.686 117.929 118.700 -0.141 0.000 2.550 160 N HA -0.041 4.699 4.740 0.001 0.000 0.186 160 N C 0.333 175.729 175.510 -0.190 0.000 1.110 160 N CA 0.417 53.264 53.050 -0.339 0.000 0.912 160 N CB 0.041 38.013 38.487 -0.858 0.000 0.968 160 N HN 0.120 nan 8.380 nan 0.000 0.448 161 F N 0.824 120.792 119.950 0.029 0.000 2.664 161 F HA 0.106 4.634 4.527 0.001 0.000 0.301 161 F C 0.233 176.072 175.800 0.065 0.000 1.126 161 F CA -0.705 57.375 58.000 0.134 0.000 1.373 161 F CB 0.247 39.340 39.000 0.154 0.000 1.042 161 F HN -0.069 nan 8.300 nan 0.000 0.535 162 D N 0.741 121.253 120.400 0.187 0.000 2.382 162 D HA 0.010 4.651 4.640 0.001 0.000 0.245 162 D C 0.564 176.928 176.300 0.108 0.000 1.120 162 D CA 0.443 54.508 54.000 0.108 0.000 0.890 162 D CB 0.364 41.187 40.800 0.039 0.000 1.201 162 D HN 0.131 nan 8.370 nan 0.000 0.433 163 N N 0.631 119.384 118.700 0.087 0.000 2.741 163 N HA -0.213 4.528 4.740 0.001 0.000 0.251 163 N C -0.610 174.970 175.510 0.117 0.000 1.112 163 N CA 0.717 53.814 53.050 0.078 0.000 0.750 163 N CB -1.151 37.367 38.487 0.051 0.000 1.119 163 N HN 0.487 nan 8.380 nan 0.000 0.561 164 I N 0.968 121.642 120.570 0.172 0.000 2.499 164 I HA 0.110 4.281 4.170 0.001 0.000 0.288 164 I C -0.233 175.998 176.117 0.189 0.000 1.048 164 I CA -0.886 60.557 61.300 0.238 0.000 1.062 164 I CB 1.749 40.007 38.000 0.429 0.000 1.238 164 I HN -0.189 nan 8.210 nan 0.000 0.426 165 Q N 5.929 125.829 119.800 0.166 0.000 2.301 165 Q HA 0.091 4.431 4.340 0.001 0.000 0.262 165 Q C 0.490 176.569 176.000 0.132 0.000 1.168 165 Q CA 0.124 55.991 55.803 0.105 0.000 0.908 165 Q CB -0.104 28.680 28.738 0.076 0.000 1.348 165 Q HN 0.445 nan 8.270 nan 0.000 0.441 166 K N 1.886 122.302 120.400 0.025 0.000 2.057 166 K HA -0.166 4.155 4.320 0.001 0.000 0.206 166 K C 1.888 178.528 176.600 0.066 0.000 1.050 166 K CA 0.947 57.213 56.287 -0.034 0.000 0.935 166 K CB -0.309 32.052 32.500 -0.232 0.000 0.715 166 K HN 0.600 nan 8.250 nan 0.000 0.439 167 A N 2.943 125.770 122.820 0.011 0.000 1.899 167 A HA -0.378 3.942 4.320 0.001 0.000 0.230 167 A C 2.316 179.851 177.584 -0.081 0.000 1.593 167 A CA 3.129 55.153 52.037 -0.020 0.000 0.728 167 A CB -1.228 17.755 19.000 -0.029 0.000 0.848 167 A HN 0.574 nan 8.150 nan 0.000 0.490 168 M N -2.730 116.769 119.600 -0.169 0.000 2.149 168 M HA -0.154 4.327 4.480 0.001 0.000 0.261 168 M C 1.920 178.005 176.300 -0.358 0.000 1.064 168 M CA 2.293 57.411 55.300 -0.302 0.000 1.102 168 M CB -0.814 31.521 32.600 -0.442 0.000 1.369 168 M HN 0.403 nan 8.290 nan 0.000 0.408 169 Y N 0.565 120.844 120.300 -0.035 0.000 2.632 169 Y HA 0.071 4.621 4.550 0.001 0.000 0.301 169 Y C 2.653 178.139 175.900 -0.689 0.000 1.172 169 Y CA 0.670 58.706 58.100 -0.106 0.000 1.328 169 Y CB -0.247 38.385 38.460 0.286 0.000 1.016 169 Y HN 0.413 nan 8.280 nan 0.000 0.529 170 S N -0.270 115.155 115.700 -0.458 0.000 2.593 170 S HA 0.040 4.511 4.470 0.001 0.000 0.217 170 S C 0.445 174.826 174.600 -0.365 0.000 0.966 170 S CA -0.101 57.718 58.200 -0.634 0.000 0.914 170 S CB -0.133 62.981 63.200 -0.143 0.000 0.776 170 S HN 0.395 nan 8.310 nan 0.000 0.523 171 Q N 0.185 119.829 119.800 -0.261 0.000 2.257 171 Q HA 0.338 4.678 4.340 0.001 0.000 0.255 171 Q C 0.274 176.235 176.000 -0.065 0.000 0.920 171 Q CA -0.512 55.225 55.803 -0.111 0.000 0.927 171 Q CB 0.980 29.671 28.738 -0.079 0.000 1.229 171 Q HN 0.359 nan 8.270 nan 0.000 0.433 172 F N 3.453 123.334 119.950 -0.116 0.000 2.063 172 F HA -0.358 4.170 4.527 0.001 0.000 0.297 172 F C 1.975 177.745 175.800 -0.049 0.000 1.099 172 F CA 2.460 60.414 58.000 -0.076 0.000 1.220 172 F CB 0.176 39.147 39.000 -0.047 0.000 0.972 172 F HN 0.704 nan 8.300 nan 0.000 0.487 173 E N -0.197 119.990 120.200 -0.022 0.000 2.267 173 E HA -0.259 4.092 4.350 0.001 0.000 0.197 173 E C 1.126 177.650 176.600 -0.127 0.000 0.998 173 E CA 1.794 58.132 56.400 -0.103 0.000 0.830 173 E CB -1.299 28.410 29.700 0.016 0.000 0.751 173 E HN 0.675 nan 8.360 nan 0.000 0.491 174 N N 0.529 119.169 118.700 -0.100 0.000 2.230 174 N HA 0.042 4.782 4.740 0.001 0.000 0.202 174 N C -0.410 175.150 175.510 0.083 0.000 1.119 174 N CA -0.136 52.908 53.050 -0.010 0.000 0.851 174 N CB 0.517 38.977 38.487 -0.046 0.000 0.990 174 N HN -0.039 nan 8.380 nan 0.000 0.497 175 T N 1.657 116.160 114.554 -0.086 0.000 2.939 175 T HA 0.070 4.421 4.350 0.001 0.000 0.319 175 T C -0.363 174.391 174.700 0.089 0.000 1.082 175 T CA 0.639 62.690 62.100 -0.081 0.000 1.133 175 T CB 0.021 68.752 68.868 -0.229 0.000 1.019 175 T HN 0.226 nan 8.240 nan 0.000 0.548 176 F N 1.369 121.306 119.950 -0.021 0.000 2.665 176 F HA 0.706 5.234 4.527 0.001 0.000 0.308 176 F C -1.264 174.481 175.800 -0.092 0.000 1.112 176 F CA -1.672 56.290 58.000 -0.062 0.000 0.972 176 F CB 1.362 40.317 39.000 -0.074 0.000 1.295 176 F HN 0.638 nan 8.300 nan 0.000 0.440 177 M N 4.824 124.434 119.600 0.017 0.000 2.465 177 M HA 0.780 5.260 4.480 0.001 0.000 0.284 177 M C -1.815 174.373 176.300 -0.185 0.000 1.212 177 M CA -0.752 54.439 55.300 -0.182 0.000 0.910 177 M CB 2.823 35.280 32.600 -0.239 0.000 1.725 177 M HN 1.011 nan 8.290 nan 0.000 0.477 178 M N 0.557 119.980 119.600 -0.295 0.000 2.704 178 M HA 0.742 5.223 4.480 0.001 0.000 0.284 178 M C -2.122 173.860 176.300 -0.531 0.000 1.275 178 M CA -0.793 54.315 55.300 -0.320 0.000 0.811 178 M CB 2.270 34.843 32.600 -0.044 0.000 1.741 178 M HN 0.741 nan 8.290 nan 0.000 0.458 179 Y N 0.456 120.808 120.300 0.087 0.000 2.429 179 Y HA 0.720 5.271 4.550 0.001 0.000 0.342 179 Y C -1.070 174.890 175.900 0.100 0.000 1.004 179 Y CA -0.936 57.212 58.100 0.080 0.000 1.075 179 Y CB 2.136 40.623 38.460 0.045 0.000 1.214 179 Y HN 0.599 nan 8.280 nan 0.000 0.455 180 L N 6.019 127.397 121.223 0.258 0.000 2.384 180 L HA 0.617 4.958 4.340 0.001 0.000 0.261 180 L C -3.018 173.996 176.870 0.240 0.000 1.024 180 L CA -2.295 52.671 54.840 0.211 0.000 0.899 180 L CB 0.958 43.123 42.059 0.177 0.000 1.243 180 L HN 0.283 nan 8.230 nan 0.000 0.449 181 P HA 0.492 nan 4.420 nan 0.000 0.285 181 P C -1.521 175.986 177.300 0.345 0.000 1.259 181 P CA -0.356 62.891 63.100 0.245 0.000 0.794 181 P CB 0.898 32.724 31.700 0.210 0.000 0.940 182 R N 2.871 123.536 120.500 0.276 0.000 2.643 182 R HA 0.767 5.108 4.340 0.001 0.000 0.269 182 R C -1.192 175.246 176.300 0.230 0.000 1.037 182 R CA -0.958 55.315 56.100 0.289 0.000 0.894 182 R CB 0.951 31.395 30.300 0.239 0.000 1.238 182 R HN 0.421 nan 8.270 nan 0.000 0.459 183 L N -1.098 120.250 121.223 0.208 0.000 2.218 183 L HA 0.745 5.085 4.340 0.001 0.000 0.243 183 L C -0.327 176.600 176.870 0.095 0.000 1.132 183 L CA -1.315 53.642 54.840 0.194 0.000 1.052 183 L CB 0.679 42.875 42.059 0.228 0.000 1.599 183 L HN 0.746 nan 8.230 nan 0.000 0.468 184 C N 0.883 120.212 119.300 0.047 0.000 2.644 184 C HA 0.235 4.696 4.460 0.001 0.000 0.417 184 C C 1.556 176.471 174.990 -0.125 0.000 1.304 184 C CA -0.085 58.839 59.018 -0.157 0.000 2.035 184 C CB 0.041 27.527 27.740 -0.423 0.000 2.673 184 C HN 0.818 nan 8.230 nan 0.000 0.602 185 E N 1.854 121.907 120.200 -0.244 0.000 2.481 185 E HA -0.001 4.350 4.350 0.001 0.000 0.195 185 E C 0.582 177.152 176.600 -0.050 0.000 1.047 185 E CA 0.326 56.638 56.400 -0.147 0.000 0.867 185 E CB -0.313 29.177 29.700 -0.350 0.000 0.858 185 E HN 0.829 nan 8.360 nan 0.000 0.513 186 H N -0.293 118.714 119.070 -0.105 0.000 2.527 186 H HA -0.169 4.388 4.556 0.001 0.000 0.321 186 H C 0.221 175.490 175.328 -0.097 0.000 1.092 186 H CA 0.550 56.514 56.048 -0.141 0.000 1.118 186 H CB -2.415 27.171 29.762 -0.293 0.000 1.536 186 H HN 0.205 nan 8.280 nan 0.000 0.407 187 C N 0.540 119.844 119.300 0.007 0.000 2.692 187 C HA -0.058 4.403 4.460 0.001 0.000 0.409 187 C C 2.664 177.674 174.990 0.032 0.000 1.284 187 C CA -0.319 58.738 59.018 0.065 0.000 1.909 187 C CB 0.003 27.832 27.740 0.149 0.000 2.713 187 C HN 0.583 nan 8.230 nan 0.000 0.649 188 L N 1.135 122.362 121.223 0.007 0.000 2.270 188 L HA 0.036 4.377 4.340 0.001 0.000 0.210 188 L C 1.178 178.059 176.870 0.018 0.000 1.104 188 L CA 1.137 55.933 54.840 -0.073 0.000 0.804 188 L CB -0.384 41.563 42.059 -0.186 0.000 0.937 188 L HN 0.753 nan 8.230 nan 0.000 0.450 189 N N 0.438 119.184 118.700 0.076 0.000 2.757 189 N HA 0.165 4.906 4.740 0.001 0.000 0.296 189 N C -2.557 173.160 175.510 0.345 0.000 1.874 189 N CA -2.070 51.051 53.050 0.118 0.000 0.885 189 N CB 0.675 39.129 38.487 -0.055 0.000 1.242 189 N HN -0.106 nan 8.380 nan 0.000 0.488 190 P HA 0.018 nan 4.420 nan 0.000 0.263 190 P C 0.310 177.808 177.300 0.331 0.000 1.195 190 P CA 0.119 63.383 63.100 0.274 0.000 0.762 190 P CB 1.411 33.191 31.700 0.133 0.000 0.799 191 A N 3.863 126.795 122.820 0.188 0.000 2.016 191 A HA -0.125 4.196 4.320 0.001 0.000 0.217 191 A C 2.267 179.720 177.584 -0.219 0.000 1.162 191 A CA 1.323 53.188 52.037 -0.286 0.000 0.662 191 A CB -1.425 17.295 19.000 -0.467 0.000 0.812 191 A HN 0.736 nan 8.150 nan 0.000 0.450 192 C N -1.841 117.414 119.300 -0.075 0.000 2.432 192 C HA -0.034 4.427 4.460 0.001 0.000 0.277 192 C C 2.294 177.268 174.990 -0.027 0.000 1.249 192 C CA 0.878 59.859 59.018 -0.062 0.000 1.725 192 C CB -1.598 26.114 27.740 -0.046 0.000 2.028 192 C HN 0.278 nan 8.230 nan 0.000 0.477 193 V N 2.216 122.141 119.914 0.018 0.000 2.407 193 V HA -0.137 3.984 4.120 0.001 0.000 0.248 193 V C 3.154 179.284 176.094 0.061 0.000 1.055 193 V CA 2.273 64.609 62.300 0.059 0.000 1.049 193 V CB -1.355 30.528 31.823 0.100 0.000 0.662 193 V HN 0.730 nan 8.190 nan 0.000 0.455 194 A N 0.441 123.277 122.820 0.027 0.000 2.014 194 A HA -0.137 4.184 4.320 0.001 0.000 0.218 194 A C 2.257 179.806 177.584 -0.058 0.000 1.163 194 A CA 1.877 53.913 52.037 -0.001 0.000 0.652 194 A CB -0.608 18.309 19.000 -0.139 0.000 0.808 194 A HN 0.622 nan 8.150 nan 0.000 0.449 195 T N -4.626 109.874 114.554 -0.090 0.000 3.144 195 T HA 0.194 4.544 4.350 0.001 0.000 0.249 195 T C 0.361 175.083 174.700 0.036 0.000 1.089 195 T CA 0.288 62.353 62.100 -0.057 0.000 0.989 195 T CB -0.907 67.898 68.868 -0.105 0.000 0.992 195 T HN 0.343 nan 8.240 nan 0.000 0.540 196 C N 3.141 122.485 119.300 0.074 0.000 2.294 196 C HA 0.570 5.031 4.460 0.001 0.000 0.319 196 C C -1.528 173.572 174.990 0.183 0.000 1.164 196 C CA -2.020 57.091 59.018 0.154 0.000 1.497 196 C CB 0.505 28.311 27.740 0.111 0.000 2.061 196 C HN 0.237 nan 8.230 nan 0.000 0.438 197 P HA -0.133 nan 4.420 nan 0.000 0.221 197 P C 1.561 179.018 177.300 0.262 0.000 1.145 197 P CA 1.634 64.874 63.100 0.234 0.000 0.795 197 P CB 0.150 31.971 31.700 0.202 0.000 0.775 198 S N -1.949 113.937 115.700 0.310 0.000 2.496 198 S HA 0.189 4.660 4.470 0.001 0.000 0.224 198 S C 1.649 176.288 174.600 0.066 0.000 0.996 198 S CA 0.539 58.828 58.200 0.149 0.000 0.927 198 S CB -1.181 61.974 63.200 -0.075 0.000 0.774 198 S HN 0.269 nan 8.310 nan 0.000 0.524 199 G N 0.697 109.545 108.800 0.080 0.000 2.160 199 G HA2 -0.162 3.798 3.960 0.001 0.000 0.244 199 G HA3 -0.162 3.798 3.960 0.001 0.000 0.244 199 G C 0.810 175.746 174.900 0.060 0.000 1.022 199 G CA 0.153 45.295 45.100 0.069 0.000 0.741 199 G HN 1.142 nan 8.290 nan 0.000 0.508 200 A N -0.778 122.065 122.820 0.038 0.000 1.968 200 A HA 0.457 4.777 4.320 0.001 0.000 0.217 200 A C 1.297 178.973 177.584 0.154 0.000 1.169 200 A CA 1.162 53.223 52.037 0.040 0.000 0.638 200 A CB -0.000 18.972 19.000 -0.046 0.000 0.812 200 A HN 0.817 nan 8.150 nan 0.000 0.446 201 I N 0.616 121.263 120.570 0.128 0.000 2.331 201 I HA 0.424 4.594 4.170 0.001 0.000 0.292 201 I C -0.603 175.628 176.117 0.191 0.000 0.998 201 I CA -0.680 60.684 61.300 0.108 0.000 1.267 201 I CB 0.710 38.728 38.000 0.029 0.000 1.386 201 I HN 0.471 nan 8.210 nan 0.000 0.476 202 Y N 3.452 123.748 120.300 -0.007 0.000 2.588 202 Y HA 0.585 5.136 4.550 0.001 0.000 0.343 202 Y C -0.943 174.961 175.900 0.005 0.000 1.065 202 Y CA -1.429 56.673 58.100 0.003 0.000 1.038 202 Y CB 1.345 39.800 38.460 -0.009 0.000 1.297 202 Y HN 0.369 nan 8.280 nan 0.000 0.467 203 K N 3.183 123.627 120.400 0.073 0.000 2.316 203 K HA 0.429 4.749 4.320 0.001 0.000 0.267 203 K C -0.783 175.873 176.600 0.093 0.000 1.025 203 K CA -0.668 55.626 56.287 0.012 0.000 0.896 203 K CB 0.742 33.278 32.500 0.059 0.000 1.124 203 K HN 0.868 nan 8.250 nan 0.000 0.451 204 R N 2.680 123.202 120.500 0.037 0.000 2.538 204 R HA -0.044 4.297 4.340 0.001 0.000 0.282 204 R C 0.848 177.197 176.300 0.081 0.000 1.009 204 R CA 0.345 56.504 56.100 0.098 0.000 1.063 204 R CB 0.489 30.803 30.300 0.024 0.000 0.945 204 R HN 0.710 nan 8.270 nan 0.000 0.414 205 E N 2.749 122.998 120.200 0.083 0.000 2.152 205 E HA -0.230 4.121 4.350 0.001 0.000 0.192 205 E C 1.480 178.105 176.600 0.042 0.000 0.983 205 E CA 1.402 57.840 56.400 0.063 0.000 0.818 205 E CB 0.143 29.869 29.700 0.043 0.000 0.758 205 E HN 0.710 nan 8.360 nan 0.000 0.467 206 E N 1.722 121.944 120.200 0.036 0.000 2.077 206 E HA -0.204 4.146 4.350 0.001 0.000 0.193 206 E C 0.924 177.544 176.600 0.033 0.000 0.989 206 E CA 1.800 58.217 56.400 0.028 0.000 0.800 206 E CB -0.078 29.640 29.700 0.032 0.000 0.746 206 E HN 0.253 nan 8.360 nan 0.000 0.452 207 D N -2.133 118.286 120.400 0.032 0.000 2.516 207 D HA 0.183 4.823 4.640 0.001 0.000 0.241 207 D C 1.128 177.426 176.300 -0.004 0.000 1.246 207 D CA 0.172 54.185 54.000 0.022 0.000 0.808 207 D CB 0.571 41.381 40.800 0.017 0.000 1.147 207 D HN 0.314 nan 8.370 nan 0.000 0.527 208 G N 0.847 109.664 108.800 0.029 0.000 2.168 208 G HA2 -0.318 3.642 3.960 0.001 0.000 0.263 208 G HA3 -0.318 3.642 3.960 0.001 0.000 0.263 208 G C 0.171 175.029 174.900 -0.070 0.000 0.977 208 G CA 0.290 45.401 45.100 0.019 0.000 0.659 208 G HN 0.473 nan 8.290 nan 0.000 0.533 209 I N 1.106 121.602 120.570 -0.123 0.000 2.533 209 I HA 0.214 4.384 4.170 0.001 0.000 0.284 209 I C 0.850 176.930 176.117 -0.062 0.000 1.109 209 I CA -0.338 60.865 61.300 -0.161 0.000 1.412 209 I CB 1.125 39.026 38.000 -0.165 0.000 1.396 209 I HN -0.117 nan 8.210 nan 0.000 0.543 210 V N 8.290 128.295 119.914 0.151 0.000 2.406 210 V HA 0.370 4.491 4.120 0.001 0.000 0.272 210 V C 0.249 176.226 176.094 -0.195 0.000 1.043 210 V CA -0.240 62.011 62.300 -0.082 0.000 0.915 210 V CB 0.933 32.705 31.823 -0.086 0.000 0.988 210 V HN 0.481 nan 8.190 nan 0.000 0.466 211 L N 5.337 126.272 121.223 -0.480 0.000 2.350 211 L HA 0.656 4.996 4.340 0.001 0.000 0.260 211 L C -0.753 175.896 176.870 -0.369 0.000 1.015 211 L CA -0.772 53.800 54.840 -0.446 0.000 0.821 211 L CB 2.685 44.410 42.059 -0.557 0.000 1.370 211 L HN 0.411 nan 8.230 nan 0.000 0.416 212 I N 1.106 121.587 120.570 -0.149 0.000 2.354 212 I HA 0.147 4.317 4.170 0.001 0.000 0.286 212 I C -0.348 175.808 176.117 0.065 0.000 1.007 212 I CA -0.442 60.845 61.300 -0.023 0.000 1.167 212 I CB 1.407 39.394 38.000 -0.020 0.000 1.320 212 I HN 0.522 nan 8.210 nan 0.000 0.458 213 D N 6.626 127.132 120.400 0.177 0.000 2.389 213 D HA -0.045 4.595 4.640 0.001 0.000 0.263 213 D C 1.027 177.356 176.300 0.049 0.000 1.255 213 D CA 0.288 54.380 54.000 0.155 0.000 0.914 213 D CB 1.123 41.993 40.800 0.117 0.000 1.116 213 D HN 0.433 nan 8.370 nan 0.000 0.502 214 Q N 2.874 122.697 119.800 0.039 0.000 2.170 214 Q HA -0.121 4.220 4.340 0.001 0.000 0.203 214 Q C 1.006 176.996 176.000 -0.017 0.000 0.976 214 Q CA 1.049 56.856 55.803 0.008 0.000 0.858 214 Q CB 0.151 28.898 28.738 0.016 0.000 0.907 214 Q HN 0.627 nan 8.270 nan 0.000 0.433 215 D N 0.522 120.913 120.400 -0.015 0.000 2.149 215 D HA -0.082 4.558 4.640 0.001 0.000 0.201 215 D C 1.497 177.763 176.300 -0.057 0.000 0.972 215 D CA 0.935 54.916 54.000 -0.032 0.000 0.835 215 D CB 0.123 40.907 40.800 -0.026 0.000 0.966 215 D HN 0.289 nan 8.370 nan 0.000 0.476 216 K N -0.113 120.249 120.400 -0.065 0.000 2.314 216 K HA 0.051 4.371 4.320 0.001 0.000 0.198 216 K C 0.971 177.463 176.600 -0.179 0.000 1.045 216 K CA -0.185 56.038 56.287 -0.106 0.000 0.988 216 K CB 0.226 32.674 32.500 -0.086 0.000 0.783 216 K HN 0.047 nan 8.250 nan 0.000 0.484 217 C N 2.156 121.370 119.300 -0.144 0.000 2.642 217 C HA 0.106 4.566 4.460 0.001 0.000 0.420 217 C C 1.136 175.972 174.990 -0.256 0.000 1.349 217 C CA -0.132 58.770 59.018 -0.194 0.000 1.821 217 C CB -0.221 27.468 27.740 -0.085 0.000 2.637 217 C HN 0.382 nan 8.230 nan 0.000 0.605 218 R N 2.900 123.135 120.500 -0.442 0.000 2.565 218 R HA 0.217 4.558 4.340 0.001 0.000 0.347 218 R C 1.343 177.510 176.300 -0.220 0.000 1.010 218 R CA 0.663 56.509 56.100 -0.424 0.000 1.126 218 R CB -0.043 29.790 30.300 -0.779 0.000 1.331 218 R HN 1.248 nan 8.270 nan 0.000 0.552 219 G N 0.870 109.624 108.800 -0.078 0.000 2.198 219 G HA2 -0.235 3.726 3.960 0.001 0.000 0.260 219 G HA3 -0.235 3.726 3.960 0.001 0.000 0.260 219 G C 0.552 175.557 174.900 0.175 0.000 1.025 219 G CA 0.372 45.572 45.100 0.167 0.000 0.769 219 G HN 0.294 nan 8.290 nan 0.000 0.507 220 W N -0.331 120.967 121.300 -0.003 0.000 2.402 220 W HA 0.088 4.749 4.660 0.001 0.000 0.286 220 W C 1.967 178.442 176.519 -0.074 0.000 1.221 220 W CA 1.038 58.343 57.345 -0.066 0.000 1.257 220 W CB -0.436 28.987 29.460 -0.061 0.000 1.120 220 W HN 0.593 nan 8.180 nan 0.000 0.551 221 R N -1.965 118.645 120.500 0.184 0.000 3.951 221 R HA -0.276 4.064 4.340 0.001 0.000 0.352 221 R C 1.002 177.341 176.300 0.064 0.000 1.178 221 R CA 1.046 57.194 56.100 0.080 0.000 0.949 221 R CB -2.124 28.142 30.300 -0.057 0.000 1.452 221 R HN 0.144 nan 8.270 nan 0.000 0.540 222 M N -0.418 119.238 119.600 0.095 0.000 2.296 222 M HA -0.123 4.357 4.480 0.001 0.000 0.265 222 M C 2.534 178.846 176.300 0.020 0.000 1.064 222 M CA 1.958 57.287 55.300 0.048 0.000 1.109 222 M CB -0.263 32.367 32.600 0.049 0.000 1.396 222 M HN 0.582 nan 8.290 nan 0.000 0.430 223 C N -0.843 118.477 119.300 0.034 0.000 2.425 223 C HA -0.093 4.367 4.460 0.001 0.000 0.277 223 C C 2.413 177.389 174.990 -0.023 0.000 1.280 223 C CA 0.218 59.234 59.018 -0.002 0.000 1.744 223 C CB -1.646 26.103 27.740 0.015 0.000 1.989 223 C HN 0.535 nan 8.230 nan 0.000 0.491 224 I N 1.766 122.338 120.570 0.003 0.000 2.286 224 I HA -0.171 4.000 4.170 0.001 0.000 0.248 224 I C 2.809 178.906 176.117 -0.034 0.000 1.115 224 I CA 2.022 63.315 61.300 -0.011 0.000 1.392 224 I CB -0.791 37.236 38.000 0.045 0.000 1.065 224 I HN 0.403 nan 8.210 nan 0.000 0.418 225 T N 0.383 114.931 114.554 -0.010 0.000 2.770 225 T HA -0.056 4.294 4.350 0.001 0.000 0.263 225 T C 1.963 176.618 174.700 -0.075 0.000 1.039 225 T CA 1.347 63.444 62.100 -0.005 0.000 1.142 225 T CB -0.631 68.258 68.868 0.035 0.000 0.868 225 T HN 0.544 nan 8.240 nan 0.000 0.435 226 G N 0.476 109.218 108.800 -0.097 0.000 2.440 226 G HA2 -0.221 3.739 3.960 0.001 0.000 0.218 226 G HA3 -0.221 3.739 3.960 0.001 0.000 0.218 226 G C 1.005 175.792 174.900 -0.189 0.000 1.154 226 G CA 0.663 45.661 45.100 -0.169 0.000 0.767 226 G HN 0.599 nan 8.290 nan 0.000 0.552 227 C N 3.438 122.657 119.300 -0.135 0.000 2.663 227 C HA 0.335 4.796 4.460 0.001 0.000 0.398 227 C C -0.024 174.865 174.990 -0.169 0.000 1.356 227 C CA -1.351 57.606 59.018 -0.102 0.000 1.629 227 C CB 0.714 28.413 27.740 -0.068 0.000 2.402 227 C HN 0.326 nan 8.230 nan 0.000 0.598 228 P HA -0.056 nan 4.420 nan 0.000 0.233 228 P C 0.283 177.297 177.300 -0.476 0.000 1.167 228 P CA 1.363 64.091 63.100 -0.620 0.000 0.770 228 P CB -0.051 30.942 31.700 -1.177 0.000 0.837 229 Y N -0.328 119.961 120.300 -0.020 0.000 2.458 229 Y HA 0.228 4.779 4.550 0.001 0.000 0.256 229 Y C 0.995 176.730 175.900 -0.275 0.000 1.159 229 Y CA -0.297 57.790 58.100 -0.022 0.000 1.261 229 Y CB -0.070 38.379 38.460 -0.018 0.000 1.119 229 Y HN -0.250 nan 8.280 nan 0.000 0.524 230 K N 1.016 121.348 120.400 -0.113 0.000 3.278 230 K HA -0.210 4.110 4.320 0.001 0.000 0.270 230 K C -0.159 176.240 176.600 -0.335 0.000 0.955 230 K CA 0.390 56.529 56.287 -0.247 0.000 0.723 230 K CB -0.983 31.333 32.500 -0.308 0.000 1.382 230 K HN 0.307 nan 8.250 nan 0.000 0.461 231 K N -0.090 120.157 120.400 -0.255 0.000 2.440 231 K HA 0.315 4.636 4.320 0.001 0.000 0.206 231 K C 0.703 177.095 176.600 -0.347 0.000 1.025 231 K CA -0.044 56.095 56.287 -0.247 0.000 1.135 231 K CB 0.537 33.002 32.500 -0.058 0.000 0.856 231 K HN 0.316 nan 8.250 nan 0.000 0.502 232 I N 1.423 121.727 120.570 -0.444 0.000 2.378 232 I HA 0.253 4.424 4.170 0.001 0.000 0.291 232 I C -0.885 175.024 176.117 -0.347 0.000 0.992 232 I CA -1.029 60.119 61.300 -0.254 0.000 1.154 232 I CB 0.966 38.898 38.000 -0.113 0.000 1.315 232 I HN -0.066 nan 8.210 nan 0.000 0.448 233 Y N 5.316 125.700 120.300 0.140 0.000 2.429 233 Y HA 0.377 4.928 4.550 0.001 0.000 0.342 233 Y C -0.208 175.847 175.900 0.257 0.000 1.004 233 Y CA -0.975 57.232 58.100 0.177 0.000 1.075 233 Y CB 1.358 39.834 38.460 0.026 0.000 1.214 233 Y HN 0.348 nan 8.280 nan 0.000 0.455 234 F N 3.949 124.095 119.950 0.327 0.000 2.456 234 F HA 0.242 4.769 4.527 0.001 0.000 0.358 234 F C 0.203 176.196 175.800 0.322 0.000 1.095 234 F CA -0.763 57.400 58.000 0.272 0.000 1.216 234 F CB 0.474 39.624 39.000 0.251 0.000 1.125 234 F HN 0.498 nan 8.300 nan 0.000 0.549 235 N N 7.935 126.400 118.700 -0.391 0.000 2.469 235 N HA -0.002 4.739 4.740 0.001 0.000 0.239 235 N C 1.013 176.039 175.510 -0.808 0.000 1.053 235 N CA -0.513 52.287 53.050 -0.417 0.000 0.937 235 N CB 0.207 38.497 38.487 -0.328 0.000 1.163 235 N HN 0.848 nan 8.380 nan 0.000 0.509 236 W N 3.439 124.444 121.300 -0.491 0.000 2.468 236 W HA -0.050 4.611 4.660 0.001 0.000 0.262 236 W C 0.800 177.188 176.519 -0.218 0.000 1.241 236 W CA 0.087 57.212 57.345 -0.366 0.000 1.232 236 W CB -0.287 29.153 29.460 -0.034 0.000 1.124 236 W HN 0.384 nan 8.180 nan 0.000 0.597 237 K N 1.962 121.961 120.400 -0.668 0.000 2.137 237 K HA -0.096 4.225 4.320 0.001 0.000 0.202 237 K C 2.481 178.905 176.600 -0.293 0.000 1.052 237 K CA 2.146 58.114 56.287 -0.531 0.000 0.961 237 K CB -0.439 31.575 32.500 -0.810 0.000 0.741 237 K HN 0.080 nan 8.250 nan 0.000 0.452 238 S N -1.437 114.068 115.700 -0.325 0.000 2.503 238 S HA 0.163 4.633 4.470 0.001 0.000 0.217 238 S C 1.346 175.849 174.600 -0.161 0.000 0.999 238 S CA 0.415 58.491 58.200 -0.207 0.000 0.914 238 S CB 0.081 63.167 63.200 -0.191 0.000 0.782 238 S HN 0.443 nan 8.310 nan 0.000 0.520 239 G N 1.034 109.680 108.800 -0.257 0.000 2.160 239 G HA2 -0.236 3.725 3.960 0.001 0.000 0.251 239 G HA3 -0.236 3.725 3.960 0.001 0.000 0.251 239 G C -0.157 174.756 174.900 0.023 0.000 1.008 239 G CA 0.502 45.558 45.100 -0.074 0.000 0.724 239 G HN 0.646 nan 8.290 nan 0.000 0.514 240 K N -0.506 119.802 120.400 -0.153 0.000 2.444 240 K HA 0.683 5.004 4.320 0.001 0.000 0.252 240 K C -0.426 176.180 176.600 0.010 0.000 0.993 240 K CA -0.737 55.548 56.287 -0.002 0.000 0.847 240 K CB 1.847 34.325 32.500 -0.037 0.000 1.340 240 K HN 0.069 nan 8.250 nan 0.000 0.446 241 S N 0.926 116.704 115.700 0.130 0.000 2.578 241 S HA 0.326 4.797 4.470 0.001 0.000 0.283 241 S C -0.802 173.859 174.600 0.102 0.000 1.195 241 S CA -0.733 57.571 58.200 0.173 0.000 1.050 241 S CB 1.095 64.416 63.200 0.202 0.000 1.012 241 S HN 0.402 nan 8.310 nan 0.000 0.511 242 E N 0.891 121.180 120.200 0.148 0.000 2.392 242 E HA 0.611 4.961 4.350 0.001 0.000 0.269 242 E C -1.010 175.644 176.600 0.091 0.000 0.924 242 E CA -0.962 55.523 56.400 0.142 0.000 0.784 242 E CB 2.141 31.999 29.700 0.264 0.000 1.292 242 E HN 0.642 nan 8.360 nan 0.000 0.447 243 K N -0.995 119.240 120.400 -0.275 0.000 2.615 243 K HA 0.370 4.691 4.320 0.001 0.000 0.291 243 K C -0.751 175.032 176.600 -1.361 0.000 1.017 243 K CA -0.917 54.956 56.287 -0.691 0.000 0.882 243 K CB 1.101 33.411 32.500 -0.318 0.000 1.522 243 K HN 0.618 nan 8.250 nan 0.000 0.412 244 C N 2.536 121.136 119.300 -1.167 0.000 2.465 244 C HA 0.125 4.585 4.460 0.001 0.000 0.402 244 C C 1.581 176.404 174.990 -0.278 0.000 1.448 244 C CA -0.123 58.504 59.018 -0.653 0.000 1.589 244 C CB -1.635 26.043 27.740 -0.103 0.000 2.535 244 C HN 0.779 nan 8.230 nan 0.000 0.600 245 I N 3.234 123.662 120.570 -0.236 0.000 3.904 245 I HA 0.355 4.526 4.170 0.001 0.000 0.333 245 I C 0.826 176.999 176.117 0.095 0.000 1.361 245 I CA -0.321 60.947 61.300 -0.053 0.000 1.116 245 I CB -0.552 37.328 38.000 -0.201 0.000 1.028 245 I HN 0.691 nan 8.210 nan 0.000 0.398 246 F N 2.100 121.984 119.950 -0.110 0.000 3.100 246 F HA -0.335 4.192 4.527 0.001 0.000 0.283 246 F C 1.060 176.770 175.800 -0.150 0.000 0.900 246 F CA 0.108 57.999 58.000 -0.182 0.000 1.010 246 F CB -1.824 36.863 39.000 -0.522 0.000 1.029 246 F HN 0.503 nan 8.300 nan 0.000 0.637 247 C N -0.048 119.091 119.300 -0.269 0.000 3.744 247 C HA -0.306 4.155 4.460 0.001 0.000 0.288 247 C C 2.075 176.960 174.990 -0.174 0.000 1.423 247 C CA 1.022 59.882 59.018 -0.264 0.000 2.060 247 C CB -3.156 24.532 27.740 -0.085 0.000 1.337 247 C HN 0.849 nan 8.230 nan 0.000 0.640 248 Y N -0.088 120.152 120.300 -0.101 0.000 2.241 248 Y HA -0.085 4.465 4.550 0.001 0.000 0.286 248 Y C -0.283 175.620 175.900 0.005 0.000 1.166 248 Y CA 1.730 59.816 58.100 -0.023 0.000 1.203 248 Y CB -1.977 36.467 38.460 -0.027 0.000 0.977 248 Y HN 0.353 nan 8.280 nan 0.000 0.529 249 P HA -0.126 nan 4.420 nan 0.000 0.219 249 P C 1.116 178.423 177.300 0.011 0.000 1.146 249 P CA 2.031 65.081 63.100 -0.084 0.000 0.808 249 P CB 0.012 31.647 31.700 -0.108 0.000 0.779 250 R N -1.258 119.243 120.500 0.000 0.000 2.075 250 R HA 0.086 4.426 4.340 0.001 0.000 0.220 250 R C 2.146 178.446 176.300 0.000 0.000 1.118 250 R CA 0.756 56.855 56.100 -0.002 0.000 0.986 250 R CB -0.826 29.460 30.300 -0.023 0.000 0.884 250 R HN 0.122 nan 8.270 nan 0.000 0.439 251 I N 2.092 122.669 120.570 0.011 0.000 2.194 251 I HA -0.250 3.921 4.170 0.001 0.000 0.246 251 I C 1.921 178.075 176.117 0.062 0.000 1.093 251 I CA 1.661 62.987 61.300 0.044 0.000 1.355 251 I CB -0.980 37.093 38.000 0.121 0.000 1.046 251 I HN 0.260 nan 8.210 nan 0.000 0.413 252 E N 0.759 121.011 120.200 0.086 0.000 2.153 252 E HA -0.130 4.220 4.350 0.001 0.000 0.194 252 E C 1.906 178.529 176.600 0.039 0.000 0.988 252 E CA 1.213 57.660 56.400 0.079 0.000 0.811 252 E CB -0.117 29.654 29.700 0.117 0.000 0.746 252 E HN 0.483 nan 8.360 nan 0.000 0.466 253 A N 0.251 123.087 122.820 0.028 0.000 2.307 253 A HA 0.345 4.665 4.320 0.001 0.000 0.218 253 A C 1.500 179.082 177.584 -0.003 0.000 1.228 253 A CA 0.563 52.604 52.037 0.007 0.000 0.857 253 A CB -0.193 18.812 19.000 0.008 0.000 0.897 253 A HN 0.284 nan 8.150 nan 0.000 0.495 254 G N -1.041 107.761 108.800 0.002 0.000 2.147 254 G HA2 -0.197 3.763 3.960 0.001 0.000 0.244 254 G HA3 -0.197 3.763 3.960 0.001 0.000 0.244 254 G C -0.087 174.816 174.900 0.005 0.000 1.005 254 G CA 0.305 45.407 45.100 0.003 0.000 0.713 254 G HN 0.487 nan 8.290 nan 0.000 0.515 255 Q N -0.470 119.323 119.800 -0.013 0.000 2.241 255 Q HA 0.582 4.922 4.340 0.001 0.000 0.262 255 Q C -2.459 173.472 176.000 -0.115 0.000 1.014 255 Q CA -1.934 53.845 55.803 -0.041 0.000 0.885 255 Q CB 1.576 30.292 28.738 -0.036 0.000 1.311 255 Q HN 0.210 nan 8.270 nan 0.000 0.461 256 P HA 0.075 nan 4.420 nan 0.000 0.274 256 P C -0.270 176.819 177.300 -0.352 0.000 1.246 256 P CA -0.196 62.648 63.100 -0.427 0.000 0.795 256 P CB 0.310 31.441 31.700 -0.949 0.000 1.006 257 T N -2.168 112.141 114.554 -0.409 0.000 2.802 257 T HA 0.064 4.414 4.350 0.001 0.000 0.305 257 T C 1.337 175.895 174.700 -0.236 0.000 1.053 257 T CA -0.436 61.454 62.100 -0.351 0.000 1.058 257 T CB -0.129 68.423 68.868 -0.527 0.000 0.988 257 T HN 0.036 nan 8.240 nan 0.000 0.539 258 V N 1.144 121.002 119.914 -0.092 0.000 2.343 258 V HA -0.202 3.919 4.120 0.001 0.000 0.247 258 V C 3.119 179.178 176.094 -0.058 0.000 1.051 258 V CA 2.149 64.419 62.300 -0.051 0.000 1.036 258 V CB -1.293 30.551 31.823 0.036 0.000 0.654 258 V HN 1.195 nan 8.190 nan 0.000 0.451 259 C N -1.287 117.995 119.300 -0.030 0.000 2.437 259 C HA -0.021 4.440 4.460 0.001 0.000 0.283 259 C C 2.791 177.759 174.990 -0.037 0.000 1.424 259 C CA 0.479 59.495 59.018 -0.003 0.000 1.782 259 C CB -1.350 26.418 27.740 0.046 0.000 1.833 259 C HN 0.465 nan 8.230 nan 0.000 0.532 260 S N 0.908 116.528 115.700 -0.132 0.000 2.356 260 S HA -0.100 4.371 4.470 0.001 0.000 0.219 260 S C 1.926 176.425 174.600 -0.169 0.000 1.036 260 S CA 1.258 59.370 58.200 -0.147 0.000 0.965 260 S CB -0.436 62.566 63.200 -0.329 0.000 0.864 260 S HN 0.798 nan 8.310 nan 0.000 0.471 261 E N 0.858 120.846 120.200 -0.354 0.000 2.153 261 E HA -0.149 4.202 4.350 0.001 0.000 0.194 261 E C 1.584 178.190 176.600 0.010 0.000 0.988 261 E CA 1.548 57.824 56.400 -0.206 0.000 0.811 261 E CB -0.025 29.557 29.700 -0.197 0.000 0.746 261 E HN 0.630 nan 8.360 nan 0.000 0.466 262 T N -1.829 112.716 114.554 -0.014 0.000 3.107 262 T HA 0.050 4.401 4.350 0.001 0.000 0.249 262 T C 0.853 175.575 174.700 0.036 0.000 1.096 262 T CA -0.143 61.966 62.100 0.016 0.000 1.012 262 T CB -0.557 68.310 68.868 -0.002 0.000 0.977 262 T HN 0.165 nan 8.240 nan 0.000 0.527 263 C N 2.908 122.239 119.300 0.051 0.000 2.667 263 C HA 0.297 4.758 4.460 0.001 0.000 0.392 263 C C 2.082 177.102 174.990 0.049 0.000 1.332 263 C CA -0.566 58.484 59.018 0.053 0.000 1.594 263 C CB -1.598 26.180 27.740 0.065 0.000 2.345 263 C HN 0.501 nan 8.230 nan 0.000 0.594 264 V N 6.304 126.237 119.914 0.033 0.000 2.490 264 V HA -0.052 4.069 4.120 0.001 0.000 0.250 264 V C 2.448 178.556 176.094 0.022 0.000 1.061 264 V CA 2.375 64.690 62.300 0.026 0.000 1.064 264 V CB -1.020 30.812 31.823 0.016 0.000 0.670 264 V HN 1.047 nan 8.190 nan 0.000 0.461 265 G N -0.667 108.146 108.800 0.021 0.000 2.744 265 G HA2 -0.090 3.871 3.960 0.001 0.000 0.211 265 G HA3 -0.090 3.871 3.960 0.001 0.000 0.211 265 G C 0.841 175.753 174.900 0.020 0.000 1.143 265 G CA 0.012 45.127 45.100 0.024 0.000 0.788 265 G HN 0.543 nan 8.290 nan 0.000 0.534 266 R N -0.725 119.779 120.500 0.005 0.000 3.332 266 R HA -0.192 4.148 4.340 0.001 0.000 0.263 266 R C 1.197 177.448 176.300 -0.081 0.000 1.053 266 R CA 0.857 56.926 56.100 -0.053 0.000 0.705 266 R CB -2.475 27.792 30.300 -0.055 0.000 1.166 266 R HN 0.672 nan 8.270 nan 0.000 0.427 267 I N -2.963 117.595 120.570 -0.021 0.000 4.070 267 I HA 0.127 4.297 4.170 0.001 0.000 0.328 267 I C 0.366 176.519 176.117 0.060 0.000 1.298 267 I CA -0.022 61.322 61.300 0.073 0.000 1.173 267 I CB 0.288 38.365 38.000 0.128 0.000 1.051 267 I HN 0.050 nan 8.210 nan 0.000 0.409 268 R N 1.335 121.793 120.500 -0.070 0.000 2.312 268 R HA 0.506 4.847 4.340 0.001 0.000 0.311 268 R C -1.676 174.499 176.300 -0.208 0.000 1.004 268 R CA -0.444 55.661 56.100 0.008 0.000 0.902 268 R CB 1.055 31.415 30.300 0.100 0.000 1.073 268 R HN 0.148 nan 8.270 nan 0.000 0.457 269 Y N 2.302 122.658 120.300 0.094 0.000 2.429 269 Y HA 0.469 5.020 4.550 0.001 0.000 0.342 269 Y C -0.029 175.949 175.900 0.130 0.000 1.004 269 Y CA -0.899 57.240 58.100 0.065 0.000 1.075 269 Y CB 1.834 40.310 38.460 0.028 0.000 1.214 269 Y HN 0.243 nan 8.280 nan 0.000 0.455 270 L N 2.395 123.795 121.223 0.296 0.000 2.386 270 L HA 0.940 5.281 4.340 0.001 0.000 0.271 270 L C -0.099 176.869 176.870 0.164 0.000 0.993 270 L CA -0.685 54.294 54.840 0.231 0.000 0.819 270 L CB 2.351 44.550 42.059 0.234 0.000 1.294 270 L HN 0.844 nan 8.230 nan 0.000 0.414 271 G N 1.430 110.287 108.800 0.095 0.000 2.673 271 G HA2 0.514 4.475 3.960 0.001 0.000 0.292 271 G HA3 0.514 4.475 3.960 0.001 0.000 0.292 271 G C -1.544 173.354 174.900 -0.003 0.000 1.450 271 G CA -0.556 44.570 45.100 0.043 0.000 0.837 271 G HN 0.232 nan 8.290 nan 0.000 0.505 272 V N 0.881 120.789 119.914 -0.011 0.000 2.686 272 V HA 0.479 4.599 4.120 0.001 0.000 0.295 272 V C 0.240 176.294 176.094 -0.068 0.000 1.055 272 V CA -0.067 62.218 62.300 -0.025 0.000 1.050 272 V CB 1.148 32.964 31.823 -0.011 0.000 0.984 272 V HN 0.551 nan 8.190 nan 0.000 0.482 273 L N 5.175 126.359 121.223 -0.065 0.000 2.410 273 L HA 0.549 4.890 4.340 0.001 0.000 0.270 273 L C -0.849 176.061 176.870 0.066 0.000 0.983 273 L CA -0.468 54.317 54.840 -0.091 0.000 0.822 273 L CB 2.021 43.876 42.059 -0.340 0.000 1.285 273 L HN 0.431 nan 8.230 nan 0.000 0.409 274 L N 3.999 125.272 121.223 0.082 0.000 2.295 274 L HA 0.520 4.861 4.340 0.001 0.000 0.285 274 L C -0.898 176.119 176.870 0.245 0.000 1.035 274 L CA -0.701 54.190 54.840 0.086 0.000 0.806 274 L CB 1.021 43.081 42.059 0.001 0.000 1.214 274 L HN 0.491 nan 8.230 nan 0.000 0.426 275 Y N -0.395 119.976 120.300 0.119 0.000 2.609 275 Y HA 0.546 5.097 4.550 0.001 0.000 0.342 275 Y C -0.947 174.990 175.900 0.063 0.000 1.058 275 Y CA -1.620 56.568 58.100 0.147 0.000 1.055 275 Y CB 1.259 39.845 38.460 0.209 0.000 1.292 275 Y HN 0.417 nan 8.280 nan 0.000 0.476 276 D N 1.598 122.089 120.400 0.151 0.000 2.411 276 D HA 0.397 5.038 4.640 0.001 0.000 0.225 276 D C 0.794 177.170 176.300 0.127 0.000 1.156 276 D CA 0.149 54.176 54.000 0.045 0.000 0.874 276 D CB 1.540 42.362 40.800 0.037 0.000 1.034 276 D HN 0.853 nan 8.370 nan 0.000 0.502 277 A N 4.037 126.887 122.820 0.051 0.000 1.978 277 A HA -0.178 4.143 4.320 0.001 0.000 0.220 277 A C 1.665 179.303 177.584 0.089 0.000 1.170 277 A CA 1.204 53.331 52.037 0.148 0.000 0.636 277 A CB -0.148 18.892 19.000 0.067 0.000 0.810 277 A HN 0.591 nan 8.150 nan 0.000 0.448 278 D N -0.226 120.197 120.400 0.039 0.000 2.312 278 D HA 0.063 4.704 4.640 0.001 0.000 0.211 278 D C 1.721 178.029 176.300 0.013 0.000 0.964 278 D CA 1.148 55.160 54.000 0.020 0.000 0.877 278 D CB -0.064 40.739 40.800 0.005 0.000 0.924 278 D HN 0.485 nan 8.370 nan 0.000 0.515 279 A N -0.028 122.803 122.820 0.020 0.000 2.267 279 A HA 0.148 4.469 4.320 0.001 0.000 0.213 279 A C 2.100 179.673 177.584 -0.019 0.000 1.192 279 A CA -0.228 51.807 52.037 -0.004 0.000 0.851 279 A CB -0.138 18.857 19.000 -0.008 0.000 0.881 279 A HN 0.088 nan 8.150 nan 0.000 0.494 280 I N -0.300 120.270 120.570 -0.000 0.000 2.163 280 I HA -0.281 3.889 4.170 0.001 0.000 0.243 280 I C 2.480 178.553 176.117 -0.073 0.000 1.085 280 I CA 1.861 63.142 61.300 -0.032 0.000 1.347 280 I CB -0.252 37.747 38.000 -0.002 0.000 1.044 280 I HN 0.512 nan 8.210 nan 0.000 0.408 281 E N 1.295 121.455 120.200 -0.067 0.000 2.049 281 E HA -0.310 4.040 4.350 0.001 0.000 0.198 281 E C 2.422 178.962 176.600 -0.101 0.000 1.007 281 E CA 1.571 57.910 56.400 -0.102 0.000 0.809 281 E CB -0.088 29.570 29.700 -0.071 0.000 0.749 281 E HN 0.288 nan 8.360 nan 0.000 0.450 282 R N -0.002 120.457 120.500 -0.069 0.000 2.081 282 R HA -0.156 4.184 4.340 0.001 0.000 0.235 282 R C 2.226 178.483 176.300 -0.071 0.000 1.131 282 R CA 1.290 57.353 56.100 -0.062 0.000 0.960 282 R CB -0.280 29.993 30.300 -0.044 0.000 0.856 282 R HN 0.212 nan 8.270 nan 0.000 0.436 283 A N 0.888 123.662 122.820 -0.076 0.000 1.858 283 A HA -0.117 4.203 4.320 0.001 0.000 0.216 283 A C 2.379 179.910 177.584 -0.089 0.000 1.190 283 A CA 1.777 53.765 52.037 -0.081 0.000 0.617 283 A CB -0.953 17.991 19.000 -0.092 0.000 0.827 283 A HN 0.529 nan 8.150 nan 0.000 0.443 284 A N -0.005 122.744 122.820 -0.119 0.000 2.019 284 A HA -0.016 4.305 4.320 0.001 0.000 0.219 284 A C 2.078 179.571 177.584 -0.152 0.000 1.164 284 A CA 1.981 53.926 52.037 -0.153 0.000 0.644 284 A CB -0.693 18.150 19.000 -0.260 0.000 0.805 284 A HN 1.024 nan 8.150 nan 0.000 0.449 285 S N -1.321 114.299 115.700 -0.133 0.000 2.583 285 S HA 0.200 4.671 4.470 0.001 0.000 0.239 285 S C 0.564 175.128 174.600 -0.059 0.000 0.966 285 S CA 0.301 58.440 58.200 -0.102 0.000 0.973 285 S CB -0.753 62.384 63.200 -0.105 0.000 0.794 285 S HN 0.367 nan 8.310 nan 0.000 0.463 286 T N 1.837 116.360 114.554 -0.053 0.000 2.940 286 T HA 0.064 4.415 4.350 0.001 0.000 0.309 286 T C 1.180 175.866 174.700 -0.023 0.000 1.056 286 T CA 0.151 62.229 62.100 -0.036 0.000 1.137 286 T CB 0.748 69.595 68.868 -0.035 0.000 0.976 286 T HN 0.599 nan 8.240 nan 0.000 0.547 287 E N 3.385 123.575 120.200 -0.017 0.000 2.023 287 E HA -0.203 4.148 4.350 0.001 0.000 0.196 287 E C 0.649 177.247 176.600 -0.004 0.000 1.003 287 E CA 1.005 57.399 56.400 -0.009 0.000 0.809 287 E CB -0.037 29.659 29.700 -0.007 0.000 0.755 287 E HN 0.625 nan 8.360 nan 0.000 0.449 288 N N 0.674 119.371 118.700 -0.005 0.000 2.444 288 N HA -0.026 4.715 4.740 0.001 0.000 0.271 288 N C 0.056 175.566 175.510 -0.000 0.000 1.069 288 N CA 0.218 53.267 53.050 -0.001 0.000 0.965 288 N CB 1.049 39.535 38.487 -0.001 0.000 1.092 288 N HN 0.168 nan 8.380 nan 0.000 0.476 289 E N 2.605 122.806 120.200 0.002 0.000 2.130 289 E HA -0.219 4.132 4.350 0.001 0.000 0.196 289 E C 0.678 177.280 176.600 0.003 0.000 0.998 289 E CA 1.227 57.629 56.400 0.003 0.000 0.806 289 E CB 0.102 29.802 29.700 -0.000 0.000 0.738 289 E HN 0.638 nan 8.360 nan 0.000 0.459 290 K N 0.577 120.979 120.400 0.003 0.000 2.515 290 K HA -0.102 4.219 4.320 0.001 0.000 0.196 290 K C 0.814 177.436 176.600 0.037 0.000 1.038 290 K CA 0.703 56.998 56.287 0.013 0.000 0.967 290 K CB 0.157 32.661 32.500 0.007 0.000 0.780 290 K HN 0.107 nan 8.250 nan 0.000 0.483 291 D N 0.411 120.823 120.400 0.020 0.000 2.360 291 D HA 0.035 4.676 4.640 0.001 0.000 0.210 291 D C 1.662 177.965 176.300 0.005 0.000 1.047 291 D CA 0.227 54.233 54.000 0.011 0.000 0.854 291 D CB 0.226 41.021 40.800 -0.008 0.000 0.936 291 D HN 0.108 nan 8.370 nan 0.000 0.514 292 L N 0.434 121.669 121.223 0.020 0.000 2.042 292 L HA -0.233 4.108 4.340 0.001 0.000 0.210 292 L C 2.478 179.378 176.870 0.050 0.000 1.076 292 L CA 1.180 56.031 54.840 0.019 0.000 0.749 292 L CB -0.550 41.522 42.059 0.022 0.000 0.893 292 L HN 0.081 nan 8.230 nan 0.000 0.432 293 Y N 1.076 121.344 120.300 -0.053 0.000 2.097 293 Y HA -0.355 4.196 4.550 0.001 0.000 0.282 293 Y C 2.697 178.609 175.900 0.019 0.000 1.152 293 Y CA 2.152 60.219 58.100 -0.055 0.000 1.136 293 Y CB -0.615 37.783 38.460 -0.104 0.000 0.975 293 Y HN 0.143 nan 8.280 nan 0.000 0.498 294 Q N 0.450 120.024 119.800 -0.376 0.000 2.119 294 Q HA -0.121 4.220 4.340 0.001 0.000 0.201 294 Q C 2.121 177.980 176.000 -0.236 0.000 0.972 294 Q CA 1.575 57.114 55.803 -0.439 0.000 0.847 294 Q CB -0.228 28.355 28.738 -0.258 0.000 0.903 294 Q HN 0.263 nan 8.270 nan 0.000 0.433 295 R N 0.077 120.492 120.500 -0.143 0.000 2.152 295 R HA -0.139 4.202 4.340 0.001 0.000 0.232 295 R C 2.049 178.254 176.300 -0.158 0.000 1.117 295 R CA 1.587 57.615 56.100 -0.119 0.000 0.981 295 R CB -0.460 29.792 30.300 -0.080 0.000 0.870 295 R HN 0.586 nan 8.270 nan 0.000 0.451 296 Q N 0.446 120.156 119.800 -0.150 0.000 2.096 296 Q HA -0.001 4.339 4.340 0.001 0.000 0.197 296 Q C 2.126 177.820 176.000 -0.509 0.000 0.964 296 Q CA 0.756 56.409 55.803 -0.249 0.000 0.838 296 Q CB 0.026 28.762 28.738 -0.005 0.000 0.906 296 Q HN 0.249 nan 8.270 nan 0.000 0.444 297 L N 1.049 122.111 121.223 -0.268 0.000 2.079 297 L HA -0.230 4.111 4.340 0.001 0.000 0.210 297 L C 1.662 178.401 176.870 -0.218 0.000 1.081 297 L CA 1.169 55.894 54.840 -0.193 0.000 0.752 297 L CB -0.444 41.535 42.059 -0.133 0.000 0.896 297 L HN 0.270 nan 8.230 nan 0.000 0.433 298 D N -0.478 119.798 120.400 -0.207 0.000 2.309 298 D HA -0.120 4.520 4.640 0.001 0.000 0.212 298 D C 2.064 178.287 176.300 -0.128 0.000 0.968 298 D CA 1.278 55.199 54.000 -0.132 0.000 0.882 298 D CB 0.027 40.761 40.800 -0.110 0.000 0.918 298 D HN 0.378 nan 8.370 nan 0.000 0.503 299 V N -2.495 117.268 119.914 -0.253 0.000 3.506 299 V HA 0.140 4.261 4.120 0.001 0.000 0.263 299 V C 0.426 176.509 176.094 -0.017 0.000 1.203 299 V CA -0.029 62.176 62.300 -0.158 0.000 1.133 299 V CB -0.714 30.989 31.823 -0.200 0.000 0.802 299 V HN -0.242 nan 8.190 nan 0.000 0.459 300 F N 1.930 121.904 119.950 0.041 0.000 2.427 300 F HA 0.680 5.208 4.527 0.001 0.000 0.352 300 F C 0.285 176.140 175.800 0.091 0.000 1.100 300 F CA -1.550 56.489 58.000 0.065 0.000 1.191 300 F CB 0.506 39.492 39.000 -0.022 0.000 1.128 300 F HN -0.027 nan 8.300 nan 0.000 0.533 301 L N 2.285 123.695 121.223 0.311 0.000 2.334 301 L HA 0.387 4.728 4.340 0.001 0.000 0.270 301 L C -0.010 176.958 176.870 0.164 0.000 1.018 301 L CA -1.106 53.844 54.840 0.183 0.000 0.811 301 L CB 1.197 43.311 42.059 0.092 0.000 1.271 301 L HN 0.392 nan 8.230 nan 0.000 0.443 302 D N 3.204 123.656 120.400 0.088 0.000 2.336 302 D HA 0.102 4.743 4.640 0.001 0.000 0.249 302 D C -1.609 174.610 176.300 -0.134 0.000 1.213 302 D CA -1.702 52.275 54.000 -0.038 0.000 0.870 302 D CB 1.535 42.342 40.800 0.012 0.000 1.076 302 D HN 0.260 nan 8.370 nan 0.000 0.483 303 P HA -0.041 nan 4.420 nan 0.000 0.234 303 P C 0.409 177.614 177.300 -0.157 0.000 1.167 303 P CA 0.387 63.365 63.100 -0.203 0.000 0.763 303 P CB 0.586 32.123 31.700 -0.271 0.000 0.835 304 N N -0.309 118.295 118.700 -0.160 0.000 2.254 304 N HA -0.005 4.736 4.740 0.001 0.000 0.190 304 N C 0.348 175.820 175.510 -0.065 0.000 1.107 304 N CA 0.245 53.232 53.050 -0.105 0.000 0.869 304 N CB 0.007 38.431 38.487 -0.105 0.000 0.983 304 N HN 0.189 nan 8.380 nan 0.000 0.487 305 D N 1.806 122.171 120.400 -0.058 0.000 2.339 305 D HA 0.105 4.746 4.640 0.001 0.000 0.256 305 D C -1.647 174.634 176.300 -0.032 0.000 1.214 305 D CA -1.820 52.159 54.000 -0.034 0.000 0.877 305 D CB 1.905 42.692 40.800 -0.022 0.000 1.111 305 D HN -0.038 nan 8.370 nan 0.000 0.478 306 P HA -0.179 nan 4.420 nan 0.000 0.217 306 P C 0.960 178.247 177.300 -0.022 0.000 1.151 306 P CA 1.325 64.411 63.100 -0.023 0.000 0.849 306 P CB 0.414 32.103 31.700 -0.017 0.000 0.787 307 K N -0.815 119.574 120.400 -0.019 0.000 2.031 307 K HA -0.031 4.289 4.320 0.001 0.000 0.205 307 K C 1.963 178.550 176.600 -0.021 0.000 1.049 307 K CA 0.835 57.111 56.287 -0.018 0.000 0.939 307 K CB -1.360 31.132 32.500 -0.013 0.000 0.717 307 K HN -0.054 nan 8.250 nan 0.000 0.438 308 V N 1.306 121.207 119.914 -0.023 0.000 2.287 308 V HA -0.250 3.871 4.120 0.001 0.000 0.248 308 V C 2.123 178.196 176.094 -0.035 0.000 1.053 308 V CA 1.706 63.990 62.300 -0.027 0.000 1.027 308 V CB -0.427 31.380 31.823 -0.028 0.000 0.646 308 V HN 0.241 nan 8.190 nan 0.000 0.447 309 I N 0.009 120.556 120.570 -0.038 0.000 2.163 309 I HA -0.304 3.866 4.170 0.001 0.000 0.243 309 I C 2.618 178.714 176.117 -0.035 0.000 1.085 309 I CA 2.224 63.501 61.300 -0.040 0.000 1.347 309 I CB -0.410 37.567 38.000 -0.038 0.000 1.044 309 I HN 0.449 nan 8.210 nan 0.000 0.408 310 E N 0.745 120.927 120.200 -0.030 0.000 2.051 310 E HA -0.323 4.027 4.350 0.001 0.000 0.192 310 E C 2.186 178.769 176.600 -0.029 0.000 0.991 310 E CA 1.421 57.805 56.400 -0.027 0.000 0.799 310 E CB -0.011 29.676 29.700 -0.022 0.000 0.748 310 E HN 0.307 nan 8.360 nan 0.000 0.449 311 Q N 0.689 120.471 119.800 -0.030 0.000 2.050 311 Q HA -0.125 4.215 4.340 0.001 0.000 0.202 311 Q C 1.918 177.894 176.000 -0.041 0.000 0.980 311 Q CA 2.166 57.950 55.803 -0.032 0.000 0.840 311 Q CB -0.613 28.107 28.738 -0.031 0.000 0.898 311 Q HN 0.358 nan 8.270 nan 0.000 0.424 312 A N 0.302 123.095 122.820 -0.045 0.000 1.908 312 A HA -0.184 4.137 4.320 0.001 0.000 0.218 312 A C 2.172 179.727 177.584 -0.049 0.000 1.181 312 A CA 1.718 53.723 52.037 -0.053 0.000 0.627 312 A CB -0.852 18.116 19.000 -0.054 0.000 0.818 312 A HN 0.503 nan 8.150 nan 0.000 0.445 313 I N -0.947 119.598 120.570 -0.043 0.000 2.315 313 I HA -0.242 3.929 4.170 0.001 0.000 0.248 313 I C 2.529 178.622 176.117 -0.040 0.000 1.117 313 I CA 1.394 62.670 61.300 -0.041 0.000 1.404 313 I CB -0.290 37.688 38.000 -0.037 0.000 1.071 313 I HN 0.315 nan 8.210 nan 0.000 0.419 314 K N 0.631 121.010 120.400 -0.036 0.000 2.026 314 K HA -0.183 4.138 4.320 0.001 0.000 0.208 314 K C 1.146 177.725 176.600 -0.036 0.000 1.048 314 K CA 1.372 57.639 56.287 -0.033 0.000 0.929 314 K CB -0.099 32.383 32.500 -0.030 0.000 0.713 314 K HN 0.268 nan 8.250 nan 0.000 0.439 315 D N -0.478 119.897 120.400 -0.042 0.000 2.338 315 D HA 0.010 4.650 4.640 0.001 0.000 0.239 315 D C 0.746 177.018 176.300 -0.047 0.000 1.095 315 D CA 0.756 54.728 54.000 -0.047 0.000 0.888 315 D CB 0.377 41.141 40.800 -0.061 0.000 0.899 315 D HN 0.476 nan 8.370 nan 0.000 0.525 316 G N 0.975 109.748 108.800 -0.045 0.000 2.136 316 G HA2 -0.246 3.715 3.960 0.001 0.000 0.242 316 G HA3 -0.246 3.715 3.960 0.001 0.000 0.242 316 G C 0.222 175.093 174.900 -0.048 0.000 0.989 316 G CA -0.460 44.613 45.100 -0.045 0.000 0.682 316 G HN 0.257 nan 8.290 nan 0.000 0.522 317 I N 1.347 121.887 120.570 -0.050 0.000 2.337 317 I HA 0.256 4.427 4.170 0.001 0.000 0.291 317 I C -1.587 174.503 176.117 -0.046 0.000 1.046 317 I CA -2.830 58.443 61.300 -0.045 0.000 1.324 317 I CB 0.334 38.305 38.000 -0.049 0.000 1.409 317 I HN -0.120 nan 8.210 nan 0.000 0.494 318 P HA -0.029 nan 4.420 nan 0.000 0.266 318 P C 0.942 178.224 177.300 -0.031 0.000 1.193 318 P CA -0.247 62.807 63.100 -0.077 0.000 0.770 318 P CB 0.778 32.426 31.700 -0.088 0.000 0.836 319 L N 3.504 124.704 121.223 -0.038 0.000 2.042 319 L HA -0.214 4.127 4.340 0.001 0.000 0.210 319 L C 2.114 178.997 176.870 0.022 0.000 1.076 319 L CA 2.475 57.308 54.840 -0.011 0.000 0.749 319 L CB -1.412 40.639 42.059 -0.013 0.000 0.893 319 L HN 0.441 nan 8.230 nan 0.000 0.432 320 S N -2.087 113.657 115.700 0.073 0.000 2.419 320 S HA -0.150 4.320 4.470 0.001 0.000 0.235 320 S C 1.872 176.515 174.600 0.072 0.000 1.019 320 S CA 1.313 59.574 58.200 0.101 0.000 0.982 320 S CB -1.108 62.214 63.200 0.202 0.000 0.789 320 S HN 0.275 nan 8.310 nan 0.000 0.490 321 V N 1.902 121.857 119.914 0.068 0.000 2.407 321 V HA -0.003 4.117 4.120 0.001 0.000 0.245 321 V C 2.403 178.500 176.094 0.005 0.000 1.041 321 V CA 1.379 63.703 62.300 0.041 0.000 1.040 321 V CB -0.651 31.197 31.823 0.041 0.000 0.671 321 V HN 0.479 nan 8.190 nan 0.000 0.455 322 I N 0.179 120.744 120.570 -0.008 0.000 2.226 322 I HA -0.240 3.930 4.170 0.001 0.000 0.245 322 I C 2.526 178.620 176.117 -0.038 0.000 1.100 322 I CA 1.670 62.950 61.300 -0.033 0.000 1.374 322 I CB -0.454 37.525 38.000 -0.036 0.000 1.057 322 I HN 0.394 nan 8.210 nan 0.000 0.413 323 E N 1.106 121.295 120.200 -0.018 0.000 2.153 323 E HA -0.197 4.154 4.350 0.001 0.000 0.194 323 E C 2.316 178.905 176.600 -0.018 0.000 0.988 323 E CA 1.237 57.627 56.400 -0.017 0.000 0.811 323 E CB -0.188 29.513 29.700 0.002 0.000 0.746 323 E HN 0.530 nan 8.360 nan 0.000 0.466 324 A N 1.533 124.349 122.820 -0.006 0.000 1.930 324 A HA -0.015 4.306 4.320 0.001 0.000 0.217 324 A C 2.396 179.963 177.584 -0.029 0.000 1.175 324 A CA 1.368 53.404 52.037 -0.001 0.000 0.627 324 A CB -0.463 18.546 19.000 0.016 0.000 0.815 324 A HN 0.277 nan 8.150 nan 0.000 0.443 325 A N -0.489 122.298 122.820 -0.055 0.000 2.019 325 A HA -0.178 4.142 4.320 0.001 0.000 0.219 325 A C 2.000 179.479 177.584 -0.174 0.000 1.164 325 A CA 1.497 53.471 52.037 -0.105 0.000 0.644 325 A CB -0.481 18.453 19.000 -0.111 0.000 0.805 325 A HN 0.668 nan 8.150 nan 0.000 0.449 326 Q N -0.866 118.849 119.800 -0.142 0.000 2.436 326 Q HA -0.038 4.302 4.340 0.001 0.000 0.209 326 Q C 0.868 176.795 176.000 -0.120 0.000 0.965 326 Q CA 0.761 56.466 55.803 -0.163 0.000 0.910 326 Q CB 0.120 28.793 28.738 -0.109 0.000 0.980 326 Q HN 0.598 nan 8.270 nan 0.000 0.491 327 Q N -0.296 119.462 119.800 -0.070 0.000 2.179 327 Q HA 0.152 4.493 4.340 0.001 0.000 0.213 327 Q C -0.135 175.859 176.000 -0.009 0.000 0.833 327 Q CA -0.022 55.773 55.803 -0.013 0.000 0.990 327 Q CB 1.196 29.954 28.738 0.033 0.000 1.132 327 Q HN 0.031 nan 8.270 nan 0.000 0.493 328 S N 3.578 119.237 115.700 -0.067 0.000 2.481 328 S HA 0.089 4.560 4.470 0.001 0.000 0.282 328 S C -1.278 173.260 174.600 -0.104 0.000 1.243 328 S CA -1.020 57.147 58.200 -0.055 0.000 1.078 328 S CB 0.711 63.868 63.200 -0.071 0.000 0.916 328 S HN 0.087 nan 8.310 nan 0.000 0.495 329 P HA -0.031 nan 4.420 nan 0.000 0.222 329 P C 1.432 178.590 177.300 -0.237 0.000 1.153 329 P CA 0.542 63.540 63.100 -0.170 0.000 0.798 329 P CB 0.049 31.851 31.700 0.171 0.000 0.796 330 V N -0.742 119.092 119.914 -0.133 0.000 2.453 330 V HA -0.225 3.896 4.120 0.001 0.000 0.247 330 V C 2.578 178.491 176.094 -0.302 0.000 1.048 330 V CA 1.503 63.688 62.300 -0.191 0.000 1.049 330 V CB -1.432 30.294 31.823 -0.163 0.000 0.672 330 V HN -0.010 nan 8.190 nan 0.000 0.457 331 Y N 1.233 121.302 120.300 -0.385 0.000 2.181 331 Y HA -0.224 4.326 4.550 0.001 0.000 0.288 331 Y C 2.497 178.115 175.900 -0.471 0.000 1.146 331 Y CA 1.834 59.687 58.100 -0.410 0.000 1.164 331 Y CB -0.072 38.189 38.460 -0.332 0.000 0.982 331 Y HN 0.161 nan 8.280 nan 0.000 0.515 332 K N -0.356 119.767 120.400 -0.461 0.000 2.026 332 K HA -0.205 4.116 4.320 0.001 0.000 0.208 332 K C 2.063 178.027 176.600 -1.060 0.000 1.048 332 K CA 2.108 57.804 56.287 -0.986 0.000 0.929 332 K CB -0.285 31.320 32.500 -1.493 0.000 0.713 332 K HN 0.393 nan 8.250 nan 0.000 0.439 333 M N 0.019 119.225 119.600 -0.657 0.000 2.319 333 M HA -0.084 4.396 4.480 0.001 0.000 0.265 333 M C 2.234 178.474 176.300 -0.100 0.000 1.068 333 M CA 1.274 56.442 55.300 -0.220 0.000 1.118 333 M CB -0.021 32.511 32.600 -0.113 0.000 1.395 333 M HN 0.224 nan 8.290 nan 0.000 0.435 334 A N -0.398 122.288 122.820 -0.223 0.000 1.924 334 A HA 0.067 4.387 4.320 0.001 0.000 0.211 334 A C 2.069 179.574 177.584 -0.131 0.000 1.198 334 A CA 0.674 52.654 52.037 -0.096 0.000 0.657 334 A CB -0.023 18.753 19.000 -0.373 0.000 0.852 334 A HN 0.268 nan 8.150 nan 0.000 0.454 335 M N -0.823 118.511 119.600 -0.443 0.000 2.299 335 M HA 0.075 4.556 4.480 0.001 0.000 0.264 335 M C 2.060 178.166 176.300 -0.323 0.000 1.095 335 M CA 1.516 56.528 55.300 -0.480 0.000 1.165 335 M CB -1.026 30.905 32.600 -1.115 0.000 1.349 335 M HN 0.675 nan 8.290 nan 0.000 0.446 336 E N -0.323 119.631 120.200 -0.409 0.000 2.024 336 E HA -0.148 4.202 4.350 0.001 0.000 0.190 336 E C 1.731 178.303 176.600 -0.046 0.000 0.974 336 E CA 0.946 57.187 56.400 -0.265 0.000 0.810 336 E CB 0.130 29.564 29.700 -0.443 0.000 0.775 336 E HN 0.427 nan 8.360 nan 0.000 0.453 337 W N 0.927 122.198 121.300 -0.048 0.000 2.905 337 W HA 0.161 4.821 4.660 0.001 0.000 0.251 337 W C 0.200 176.726 176.519 0.011 0.000 1.305 337 W CA 0.077 57.410 57.345 -0.021 0.000 1.465 337 W CB 0.078 29.517 29.460 -0.035 0.000 1.122 337 W HN 0.085 nan 8.180 nan 0.000 0.659 338 K N 0.009 120.525 120.400 0.193 0.000 3.071 338 K HA -0.214 4.107 4.320 0.001 0.000 0.265 338 K C 0.674 177.396 176.600 0.203 0.000 1.060 338 K CA 0.695 57.103 56.287 0.203 0.000 0.767 338 K CB -2.192 30.421 32.500 0.188 0.000 1.241 338 K HN 0.336 nan 8.250 nan 0.000 0.486 339 L N -1.114 120.238 121.223 0.215 0.000 2.253 339 L HA 0.132 4.473 4.340 0.001 0.000 0.205 339 L C 1.201 178.173 176.870 0.171 0.000 1.078 339 L CA 0.742 55.689 54.840 0.178 0.000 0.805 339 L CB 0.040 42.217 42.059 0.197 0.000 0.963 339 L HN 0.283 nan 8.230 nan 0.000 0.459 340 A N 0.972 123.928 122.820 0.226 0.000 2.331 340 A HA 0.671 4.992 4.320 0.001 0.000 0.283 340 A C -0.569 177.256 177.584 0.402 0.000 1.142 340 A CA -0.188 52.037 52.037 0.312 0.000 0.812 340 A CB 0.453 19.658 19.000 0.342 0.000 1.074 340 A HN 0.166 nan 8.150 nan 0.000 0.497 341 L N 3.233 124.563 121.223 0.179 0.000 2.371 341 L HA 0.529 4.870 4.340 0.001 0.000 0.262 341 L C -2.308 174.158 176.870 -0.673 0.000 1.006 341 L CA -2.294 52.358 54.840 -0.314 0.000 0.818 341 L CB 2.814 44.651 42.059 -0.370 0.000 1.354 341 L HN 0.510 nan 8.230 nan 0.000 0.415 342 P HA 0.091 nan 4.420 nan 0.000 0.274 342 P C -1.049 175.992 177.300 -0.432 0.000 1.237 342 P CA -0.475 61.888 63.100 -1.229 0.000 0.793 342 P CB 1.364 32.403 31.700 -1.102 0.000 0.977 343 L N 3.713 124.865 121.223 -0.118 0.000 2.265 343 L HA 0.277 4.618 4.340 0.001 0.000 0.288 343 L C 0.415 177.324 176.870 0.066 0.000 1.058 343 L CA -0.168 54.655 54.840 -0.028 0.000 0.809 343 L CB -0.984 41.206 42.059 0.217 0.000 1.179 343 L HN 0.412 nan 8.230 nan 0.000 0.429 344 H N 5.140 124.118 119.070 -0.153 0.000 2.394 344 H HA -0.122 4.435 4.556 0.001 0.000 0.322 344 H C -1.676 173.422 175.328 -0.384 0.000 1.012 344 H CA 0.783 56.560 56.048 -0.451 0.000 1.084 344 H CB -0.770 28.412 29.762 -0.967 0.000 1.597 344 H HN 0.632 nan 8.280 nan 0.000 0.375 345 P HA -0.177 nan 4.420 nan 0.000 0.223 345 P C 1.437 178.723 177.300 -0.024 0.000 1.144 345 P CA 1.387 64.462 63.100 -0.042 0.000 0.783 345 P CB 0.253 31.911 31.700 -0.070 0.000 0.771 346 E N -0.509 119.624 120.200 -0.112 0.000 2.338 346 E HA -0.192 4.159 4.350 0.001 0.000 0.197 346 E C 1.161 177.824 176.600 0.104 0.000 1.007 346 E CA 0.957 57.336 56.400 -0.036 0.000 0.849 346 E CB -1.051 28.611 29.700 -0.064 0.000 0.774 346 E HN 0.269 nan 8.360 nan 0.000 0.506 347 Y N 1.258 121.610 120.300 0.087 0.000 2.509 347 Y HA 0.122 4.672 4.550 0.001 0.000 0.293 347 Y C 0.953 176.987 175.900 0.222 0.000 1.133 347 Y CA 0.496 58.656 58.100 0.100 0.000 1.283 347 Y CB -0.320 38.148 38.460 0.014 0.000 1.001 347 Y HN 0.027 nan 8.280 nan 0.000 0.555 348 R N -0.779 119.896 120.500 0.293 0.000 3.656 348 R HA -0.176 4.164 4.340 0.001 0.000 0.297 348 R C 0.866 177.262 176.300 0.159 0.000 1.166 348 R CA 0.898 57.092 56.100 0.158 0.000 0.799 348 R CB -2.542 27.792 30.300 0.056 0.000 1.285 348 R HN 0.493 nan 8.270 nan 0.000 0.477 349 T N -2.861 111.891 114.554 0.330 0.000 3.040 349 T HA 0.252 4.602 4.350 0.001 0.000 0.250 349 T C 0.604 175.438 174.700 0.224 0.000 1.058 349 T CA 0.145 62.459 62.100 0.358 0.000 0.988 349 T CB 0.346 69.520 68.868 0.510 0.000 0.993 349 T HN 0.158 nan 8.240 nan 0.000 0.519 350 L N 1.690 123.030 121.223 0.195 0.000 3.664 350 L HA -0.063 4.278 4.340 0.001 0.000 0.560 350 L C -2.164 174.849 176.870 0.239 0.000 1.285 350 L CA -0.001 54.942 54.840 0.172 0.000 0.864 350 L CB -1.647 40.443 42.059 0.051 0.000 1.512 350 L HN 0.318 nan 8.230 nan 0.000 0.853 351 P HA 0.007 nan 4.420 nan 0.000 0.268 351 P C 0.597 178.160 177.300 0.440 0.000 1.208 351 P CA 0.029 63.306 63.100 0.296 0.000 0.777 351 P CB 0.624 32.477 31.700 0.254 0.000 0.875 352 M N 0.694 120.452 119.600 0.263 0.000 2.412 352 M HA 0.153 4.634 4.480 0.001 0.000 0.315 352 M C -0.275 176.114 176.300 0.148 0.000 1.092 352 M CA -0.113 55.281 55.300 0.157 0.000 0.974 352 M CB 0.208 32.800 32.600 -0.012 0.000 1.437 352 M HN 0.005 nan 8.290 nan 0.000 0.524 353 V N 0.988 121.089 119.914 0.312 0.000 2.326 353 V HA 0.320 4.440 4.120 0.001 0.000 0.281 353 V C -0.965 175.374 176.094 0.408 0.000 1.015 353 V CA -0.660 61.780 62.300 0.233 0.000 0.823 353 V CB 1.298 33.211 31.823 0.151 0.000 1.009 353 V HN 0.295 nan 8.190 nan 0.000 0.436 354 W N 3.706 124.960 121.300 -0.077 0.000 2.485 354 W HA 0.729 5.390 4.660 0.001 0.000 0.364 354 W C -0.485 175.908 176.519 -0.210 0.000 1.171 354 W CA -1.381 55.969 57.345 0.009 0.000 1.304 354 W CB 0.839 30.341 29.460 0.070 0.000 1.335 354 W HN 0.397 nan 8.180 nan 0.000 0.643 355 Y N -0.435 120.012 120.300 0.245 0.000 2.524 355 Y HA 0.514 5.064 4.550 0.001 0.000 0.347 355 Y C -0.340 175.631 175.900 0.118 0.000 1.005 355 Y CA -1.411 56.784 58.100 0.158 0.000 1.025 355 Y CB 1.593 40.107 38.460 0.090 0.000 1.275 355 Y HN -0.144 nan 8.280 nan 0.000 0.460 356 V N 5.269 125.341 119.914 0.263 0.000 2.383 356 V HA 0.320 4.440 4.120 0.001 0.000 0.275 356 V C -2.070 174.118 176.094 0.158 0.000 1.036 356 V CA -2.143 60.263 62.300 0.177 0.000 0.889 356 V CB 1.140 33.053 31.823 0.150 0.000 0.985 356 V HN 0.518 nan 8.190 nan 0.000 0.459 357 P HA 0.199 nan 4.420 nan 0.000 0.269 357 P C -2.739 174.603 177.300 0.071 0.000 1.215 357 P CA -1.237 61.900 63.100 0.062 0.000 0.780 357 P CB 0.264 31.969 31.700 0.007 0.000 0.898 358 P HA 0.323 nan 4.420 nan 0.000 0.290 358 P C -0.248 177.073 177.300 0.034 0.000 1.275 358 P CA -0.364 62.776 63.100 0.066 0.000 0.841 358 P CB 1.209 32.956 31.700 0.079 0.000 1.042 359 L N 1.489 122.736 121.223 0.040 0.000 2.469 359 L HA 0.537 4.878 4.340 0.001 0.000 0.253 359 L C 1.090 177.971 176.870 0.019 0.000 1.143 359 L CA -0.093 54.761 54.840 0.023 0.000 0.804 359 L CB 0.783 42.863 42.059 0.035 0.000 1.214 359 L HN 0.617 nan 8.230 nan 0.000 0.476 360 S N -1.282 114.422 115.700 0.007 0.000 2.643 360 S HA 0.595 5.065 4.470 0.001 0.000 0.270 360 S C -2.941 171.664 174.600 0.009 0.000 1.166 360 S CA -1.270 56.934 58.200 0.008 0.000 0.815 360 S CB 1.307 64.495 63.200 -0.021 0.000 1.139 360 S HN 0.251 nan 8.310 nan 0.000 0.472 361 P HA 0.331 nan 4.420 nan 0.000 0.270 361 P C -0.081 177.222 177.300 0.006 0.000 1.223 361 P CA -0.655 62.453 63.100 0.014 0.000 0.785 361 P CB 0.104 31.813 31.700 0.015 0.000 0.923 362 I N -1.769 118.805 120.570 0.007 0.000 3.004 362 I HA 0.177 4.348 4.170 0.001 0.000 0.287 362 I C 0.111 176.229 176.117 0.003 0.000 1.144 362 I CA -0.812 60.490 61.300 0.003 0.000 1.353 362 I CB 0.021 38.024 38.000 0.006 0.000 1.417 362 I HN 0.303 nan 8.210 nan 0.000 0.602 363 Q N 2.614 122.416 119.800 0.003 0.000 2.395 363 Q HA 0.166 4.507 4.340 0.001 0.000 0.271 363 Q C -0.192 175.807 176.000 -0.001 0.000 1.026 363 Q CA -0.098 55.707 55.803 0.004 0.000 0.900 363 Q CB 0.562 29.302 28.738 0.003 0.000 1.266 363 Q HN 0.689 nan 8.270 nan 0.000 0.430 364 S N 0.343 116.039 115.700 -0.007 0.000 2.580 364 S HA 0.426 4.897 4.470 0.001 0.000 0.274 364 S C 0.192 174.789 174.600 -0.006 0.000 1.329 364 S CA 0.016 58.211 58.200 -0.008 0.000 1.036 364 S CB 1.212 64.402 63.200 -0.017 0.000 0.919 364 S HN 0.740 nan 8.310 nan 0.000 0.515 365 A N 0.817 123.636 122.820 -0.001 0.000 2.709 365 A HA 0.673 4.993 4.320 0.001 0.000 0.212 365 A C 1.047 178.632 177.584 0.002 0.000 1.280 365 A CA 0.759 52.795 52.037 -0.002 0.000 1.034 365 A CB -0.781 18.218 19.000 -0.002 0.000 1.255 365 A HN 1.711 nan 8.150 nan 0.000 0.547 366 A N 0.750 123.574 122.820 0.007 0.000 1.470 366 A HA -0.256 4.065 4.320 0.001 0.000 0.224 366 A C 0.413 178.002 177.584 0.008 0.000 0.453 366 A CA 1.503 53.546 52.037 0.009 0.000 1.102 366 A CB -2.506 16.498 19.000 0.007 0.000 1.462 366 A HN 1.227 nan 8.150 nan 0.000 0.719 367 D N 0.591 120.994 120.400 0.005 0.000 2.304 367 D HA 0.557 5.197 4.640 0.001 0.000 0.250 367 D C 0.871 177.175 176.300 0.006 0.000 1.107 367 D CA 0.269 54.273 54.000 0.005 0.000 0.885 367 D CB 1.447 42.249 40.800 0.004 0.000 1.192 367 D HN 1.076 nan 8.370 nan 0.000 0.436 368 A N 2.506 125.330 122.820 0.007 0.000 2.216 368 A HA 0.278 4.599 4.320 0.001 0.000 0.214 368 A C 1.387 178.976 177.584 0.008 0.000 1.160 368 A CA 0.923 52.965 52.037 0.008 0.000 0.725 368 A CB -1.146 17.860 19.000 0.009 0.000 0.784 368 A HN 1.201 nan 8.150 nan 0.000 0.472 369 G N -0.658 108.146 108.800 0.006 0.000 2.804 369 G HA2 -0.100 3.860 3.960 0.001 0.000 0.230 369 G HA3 -0.100 3.860 3.960 0.001 0.000 0.230 369 G C -0.449 174.455 174.900 0.007 0.000 1.386 369 G CA 0.115 45.219 45.100 0.006 0.000 0.875 369 G HN 0.939 nan 8.290 nan 0.000 0.557 370 E N -1.362 118.842 120.200 0.008 0.000 2.423 370 E HA 0.702 5.052 4.350 0.001 0.000 0.269 370 E C -0.613 175.994 176.600 0.011 0.000 0.948 370 E CA -1.277 55.129 56.400 0.009 0.000 0.802 370 E CB 0.784 30.488 29.700 0.008 0.000 1.339 370 E HN 0.461 nan 8.360 nan 0.000 0.445 371 L N 1.536 122.767 121.223 0.014 0.000 2.540 371 L HA 0.296 4.636 4.340 0.001 0.000 0.276 371 L C 0.840 177.719 176.870 0.015 0.000 1.212 371 L CA 1.111 55.962 54.840 0.019 0.000 0.893 371 L CB -0.145 41.928 42.059 0.023 0.000 1.138 371 L HN 0.736 nan 8.230 nan 0.000 0.491 372 G N 0.968 109.777 108.800 0.015 0.000 2.857 372 G HA2 0.384 4.344 3.960 0.001 0.000 0.217 372 G HA3 0.384 4.344 3.960 0.001 0.000 0.217 372 G C 0.749 175.646 174.900 -0.004 0.000 1.357 372 G CA 0.052 45.154 45.100 0.003 0.000 1.033 372 G HN 0.537 nan 8.290 nan 0.000 0.571 373 S N 0.472 116.156 115.700 -0.027 0.000 2.370 373 S HA -0.126 4.345 4.470 0.001 0.000 0.226 373 S C 1.649 176.180 174.600 -0.116 0.000 1.033 373 S CA 1.141 59.301 58.200 -0.066 0.000 1.011 373 S CB -0.193 62.957 63.200 -0.083 0.000 0.852 373 S HN 0.503 nan 8.310 nan 0.000 0.457 374 N N 1.092 119.742 118.700 -0.082 0.000 2.322 374 N HA 0.259 4.999 4.740 0.001 0.000 0.216 374 N C 1.087 176.706 175.510 0.181 0.000 1.144 374 N CA 0.646 53.678 53.050 -0.031 0.000 0.830 374 N CB 0.161 38.650 38.487 0.003 0.000 1.034 374 N HN 0.445 nan 8.380 nan 0.000 0.484 375 G N 2.209 111.078 108.800 0.115 0.000 2.543 375 G HA2 -0.362 3.599 3.960 0.001 0.000 0.286 375 G HA3 -0.362 3.599 3.960 0.001 0.000 0.286 375 G C 0.903 175.842 174.900 0.066 0.000 1.153 375 G CA 0.336 45.498 45.100 0.104 0.000 0.968 375 G HN 0.382 nan 8.290 nan 0.000 0.544 376 I N 0.122 120.727 120.570 0.059 0.000 3.251 376 I HA 0.440 4.610 4.170 0.001 0.000 0.277 376 I C 1.211 177.354 176.117 0.043 0.000 1.268 376 I CA 0.063 61.386 61.300 0.040 0.000 1.449 376 I CB -0.287 37.730 38.000 0.027 0.000 1.083 376 I HN 0.280 nan 8.210 nan 0.000 0.464 377 L N 1.629 122.889 121.223 0.062 0.000 2.456 377 L HA 0.443 4.784 4.340 0.001 0.000 0.257 377 L C -2.116 174.782 176.870 0.047 0.000 1.162 377 L CA -1.883 52.993 54.840 0.060 0.000 0.808 377 L CB -0.016 42.095 42.059 0.086 0.000 1.136 377 L HN -0.128 nan 8.230 nan 0.000 0.466 378 P HA 0.095 nan 4.420 nan 0.000 0.272 378 P C -1.383 175.926 177.300 0.014 0.000 1.223 378 P CA -0.260 62.853 63.100 0.022 0.000 0.784 378 P CB 0.553 32.264 31.700 0.019 0.000 0.923 379 D N 0.744 121.146 120.400 0.003 0.000 2.163 379 D HA 0.034 4.675 4.640 0.001 0.000 0.248 379 D C 1.280 177.576 176.300 -0.006 0.000 1.035 379 D CA -0.475 53.520 54.000 -0.008 0.000 0.872 379 D CB 2.108 42.900 40.800 -0.013 0.000 1.183 379 D HN 0.023 nan 8.370 nan 0.000 0.445 380 V N 2.878 122.786 119.914 -0.009 0.000 2.370 380 V HA -0.313 3.807 4.120 0.001 0.000 0.252 380 V C 1.555 177.642 176.094 -0.012 0.000 1.068 380 V CA 2.130 64.425 62.300 -0.009 0.000 1.061 380 V CB -0.188 31.628 31.823 -0.010 0.000 0.656 380 V HN 0.468 nan 8.190 nan 0.000 0.455 381 E N 0.590 120.784 120.200 -0.010 0.000 2.338 381 E HA -0.087 4.264 4.350 0.001 0.000 0.197 381 E C 1.988 178.584 176.600 -0.006 0.000 1.007 381 E CA 1.176 57.571 56.400 -0.008 0.000 0.849 381 E CB -0.190 29.506 29.700 -0.007 0.000 0.774 381 E HN 0.850 nan 8.360 nan 0.000 0.506 382 S N -0.470 115.226 115.700 -0.006 0.000 2.557 382 S HA 0.193 4.663 4.470 0.001 0.000 0.223 382 S C 0.538 175.134 174.600 -0.007 0.000 0.969 382 S CA -0.458 57.740 58.200 -0.004 0.000 0.927 382 S CB -0.109 63.091 63.200 -0.001 0.000 0.806 382 S HN 0.025 nan 8.310 nan 0.000 0.489 383 L N 2.903 124.117 121.223 -0.015 0.000 2.456 383 L HA 0.260 4.601 4.340 0.001 0.000 0.272 383 L C 2.061 178.907 176.870 -0.040 0.000 1.189 383 L CA -0.483 54.341 54.840 -0.027 0.000 0.846 383 L CB 0.500 42.537 42.059 -0.037 0.000 1.111 383 L HN 0.383 nan 8.230 nan 0.000 0.475 384 R N 3.046 123.520 120.500 -0.043 0.000 2.235 384 R HA 0.075 4.416 4.340 0.001 0.000 0.213 384 R C 0.388 176.581 176.300 -0.178 0.000 1.059 384 R CA 0.603 56.679 56.100 -0.040 0.000 0.997 384 R CB -0.193 30.113 30.300 0.010 0.000 0.884 384 R HN 0.467 nan 8.270 nan 0.000 0.462 385 I N 4.815 125.196 120.570 -0.315 0.000 2.379 385 I HA 0.160 4.331 4.170 0.001 0.000 0.290 385 I C -1.833 173.992 176.117 -0.488 0.000 1.063 385 I CA -2.554 58.322 61.300 -0.707 0.000 1.351 385 I CB 1.174 38.852 38.000 -0.537 0.000 1.410 385 I HN -0.009 nan 8.210 nan 0.000 0.505 386 P HA -0.085 nan 4.420 nan 0.000 0.260 386 P C 0.773 177.984 177.300 -0.148 0.000 1.185 386 P CA 0.302 63.273 63.100 -0.215 0.000 0.763 386 P CB 1.292 32.888 31.700 -0.173 0.000 0.776 387 V N 3.150 123.017 119.914 -0.078 0.000 2.720 387 V HA -0.240 3.880 4.120 0.001 0.000 0.256 387 V C 2.535 178.601 176.094 -0.047 0.000 1.082 387 V CA 2.201 64.464 62.300 -0.062 0.000 1.101 387 V CB -0.802 30.994 31.823 -0.046 0.000 0.693 387 V HN 0.494 nan 8.190 nan 0.000 0.479 388 Q N -0.567 119.224 119.800 -0.016 0.000 2.119 388 Q HA -0.239 4.102 4.340 0.001 0.000 0.201 388 Q C 1.921 177.895 176.000 -0.044 0.000 0.972 388 Q CA 2.360 58.155 55.803 -0.013 0.000 0.847 388 Q CB -0.703 28.058 28.738 0.039 0.000 0.903 388 Q HN 0.811 nan 8.270 nan 0.000 0.433 389 Y N 0.052 120.253 120.300 -0.166 0.000 2.128 389 Y HA -0.203 4.347 4.550 0.001 0.000 0.284 389 Y C 1.600 177.368 175.900 -0.219 0.000 1.154 389 Y CA 1.911 59.866 58.100 -0.242 0.000 1.149 389 Y CB -0.137 38.089 38.460 -0.391 0.000 0.976 389 Y HN 0.149 nan 8.280 nan 0.000 0.505 390 L N -0.441 120.743 121.223 -0.066 0.000 2.141 390 L HA -0.191 4.150 4.340 0.001 0.000 0.209 390 L C 2.744 179.481 176.870 -0.220 0.000 1.094 390 L CA 1.008 55.770 54.840 -0.131 0.000 0.763 390 L CB -0.915 41.103 42.059 -0.070 0.000 0.908 390 L HN 0.333 nan 8.230 nan 0.000 0.437 391 A N 0.248 122.956 122.820 -0.186 0.000 1.930 391 A HA -0.177 4.144 4.320 0.001 0.000 0.217 391 A C 2.045 179.488 177.584 -0.236 0.000 1.175 391 A CA 1.616 53.538 52.037 -0.192 0.000 0.627 391 A CB -0.467 18.455 19.000 -0.130 0.000 0.815 391 A HN 0.411 nan 8.150 nan 0.000 0.443 392 N N -0.272 118.274 118.700 -0.256 0.000 2.223 392 N HA -0.118 4.623 4.740 0.001 0.000 0.185 392 N C 1.528 176.825 175.510 -0.356 0.000 1.016 392 N CA 1.370 54.265 53.050 -0.258 0.000 0.863 392 N CB -0.438 37.891 38.487 -0.264 0.000 0.983 392 N HN 0.449 nan 8.380 nan 0.000 0.429 393 L N 0.230 121.158 121.223 -0.491 0.000 2.095 393 L HA 0.108 4.448 4.340 0.001 0.000 0.204 393 L C 1.675 178.117 176.870 -0.714 0.000 1.080 393 L CA 1.369 55.800 54.840 -0.681 0.000 0.759 393 L CB -0.083 41.655 42.059 -0.534 0.000 0.914 393 L HN 0.058 nan 8.230 nan 0.000 0.439 394 L N -1.924 119.019 121.223 -0.467 0.000 2.609 394 L HA 0.196 4.537 4.340 0.001 0.000 0.230 394 L C 0.669 177.304 176.870 -0.393 0.000 1.064 394 L CA 0.788 55.380 54.840 -0.413 0.000 0.873 394 L CB -0.097 41.765 42.059 -0.329 0.000 1.139 394 L HN 0.317 nan 8.230 nan 0.000 0.490 395 T N -2.991 111.366 114.554 -0.329 0.000 3.533 395 T HA 0.568 4.919 4.350 0.001 0.000 0.275 395 T C 0.704 175.295 174.700 -0.181 0.000 1.000 395 T CA 0.134 62.064 62.100 -0.284 0.000 1.015 395 T CB 0.831 69.519 68.868 -0.301 0.000 1.153 395 T HN 0.177 nan 8.240 nan 0.000 0.504 396 A N 0.180 122.895 122.820 -0.174 0.000 2.748 396 A HA 0.115 4.435 4.320 0.001 0.000 0.297 396 A C 1.978 179.507 177.584 -0.092 0.000 1.508 396 A CA 1.249 53.218 52.037 -0.113 0.000 0.799 396 A CB -2.106 16.850 19.000 -0.074 0.000 1.011 396 A HN 2.385 nan 8.150 nan 0.000 0.500 397 G N -1.556 107.176 108.800 -0.114 0.000 2.225 397 G HA2 -0.207 3.753 3.960 0.001 0.000 0.254 397 G HA3 -0.207 3.753 3.960 0.001 0.000 0.254 397 G C 0.007 174.864 174.900 -0.070 0.000 0.988 397 G CA 0.960 46.009 45.100 -0.085 0.000 0.625 397 G HN 1.660 nan 8.290 nan 0.000 0.527 398 D N 1.574 121.930 120.400 -0.074 0.000 2.338 398 D HA 0.444 5.085 4.640 0.001 0.000 0.255 398 D C 1.969 178.227 176.300 -0.070 0.000 1.237 398 D CA 0.664 54.632 54.000 -0.054 0.000 0.883 398 D CB 0.767 41.545 40.800 -0.036 0.000 1.087 398 D HN 0.326 nan 8.370 nan 0.000 0.485 399 T N 1.049 115.573 114.554 -0.051 0.000 3.113 399 T HA -0.096 4.254 4.350 0.001 0.000 0.263 399 T C 1.629 176.304 174.700 -0.043 0.000 1.143 399 T CA 0.574 62.643 62.100 -0.052 0.000 1.090 399 T CB 0.084 68.932 68.868 -0.033 0.000 0.922 399 T HN 0.363 nan 8.240 nan 0.000 0.521 400 K N 1.703 122.086 120.400 -0.029 0.000 2.002 400 K HA -0.027 4.293 4.320 0.001 0.000 0.209 400 K C -0.722 175.870 176.600 -0.013 0.000 1.048 400 K CA 1.228 57.509 56.287 -0.010 0.000 0.930 400 K CB -0.815 31.691 32.500 0.010 0.000 0.714 400 K HN 0.289 nan 8.250 nan 0.000 0.438 401 P HA -0.123 nan 4.420 nan 0.000 0.218 401 P C 1.277 178.526 177.300 -0.084 0.000 1.149 401 P CA 0.927 63.993 63.100 -0.057 0.000 0.817 401 P CB 0.133 31.707 31.700 -0.210 0.000 0.785 402 V N -0.673 119.179 119.914 -0.104 0.000 2.379 402 V HA -0.194 3.926 4.120 0.001 0.000 0.245 402 V C 2.400 178.468 176.094 -0.044 0.000 1.044 402 V CA 1.506 63.754 62.300 -0.087 0.000 1.036 402 V CB -1.195 30.568 31.823 -0.101 0.000 0.664 402 V HN 0.066 nan 8.190 nan 0.000 0.453 403 L N -0.248 120.955 121.223 -0.034 0.000 2.046 403 L HA -0.187 4.153 4.340 0.001 0.000 0.208 403 L C 2.750 179.617 176.870 -0.004 0.000 1.077 403 L CA 1.844 56.673 54.840 -0.018 0.000 0.747 403 L CB -0.575 41.475 42.059 -0.015 0.000 0.896 403 L HN 0.273 nan 8.230 nan 0.000 0.432 404 R N 0.264 120.766 120.500 0.004 0.000 2.073 404 R HA -0.193 4.148 4.340 0.001 0.000 0.234 404 R C 2.346 178.663 176.300 0.029 0.000 1.134 404 R CA 1.507 57.621 56.100 0.022 0.000 0.952 404 R CB -0.255 30.069 30.300 0.040 0.000 0.850 404 R HN 0.335 nan 8.270 nan 0.000 0.433 405 A N 1.116 123.953 122.820 0.027 0.000 1.865 405 A HA -0.156 4.165 4.320 0.001 0.000 0.217 405 A C 2.221 179.824 177.584 0.032 0.000 1.191 405 A CA 1.463 53.525 52.037 0.041 0.000 0.623 405 A CB -0.659 18.360 19.000 0.032 0.000 0.826 405 A HN 0.359 nan 8.150 nan 0.000 0.444 406 L N -0.939 120.293 121.223 0.016 0.000 2.093 406 L HA -0.164 4.176 4.340 0.001 0.000 0.208 406 L C 2.629 179.508 176.870 0.014 0.000 1.085 406 L CA 1.737 56.585 54.840 0.014 0.000 0.755 406 L CB -0.392 41.667 42.059 -0.000 0.000 0.904 406 L HN 0.396 nan 8.230 nan 0.000 0.435 407 K N 0.161 120.567 120.400 0.009 0.000 2.097 407 K HA -0.139 4.182 4.320 0.001 0.000 0.205 407 K C 2.313 178.918 176.600 0.008 0.000 1.050 407 K CA 1.138 57.428 56.287 0.005 0.000 0.938 407 K CB 0.090 32.590 32.500 0.000 0.000 0.718 407 K HN 0.231 nan 8.250 nan 0.000 0.442 408 R N -0.175 120.333 120.500 0.014 0.000 2.092 408 R HA -0.031 4.309 4.340 0.001 0.000 0.231 408 R C 2.332 178.635 176.300 0.005 0.000 1.119 408 R CA 1.386 57.490 56.100 0.007 0.000 0.970 408 R CB -0.152 30.158 30.300 0.016 0.000 0.864 408 R HN 0.219 nan 8.270 nan 0.000 0.440 409 M N 0.380 119.991 119.600 0.018 0.000 2.132 409 M HA -0.147 4.334 4.480 0.001 0.000 0.263 409 M C 2.141 178.465 176.300 0.041 0.000 1.065 409 M CA 1.593 56.908 55.300 0.026 0.000 1.122 409 M CB -0.171 32.451 32.600 0.036 0.000 1.365 409 M HN 0.120 nan 8.290 nan 0.000 0.411 410 L N -0.450 120.796 121.223 0.038 0.000 2.141 410 L HA -0.139 4.201 4.340 0.001 0.000 0.209 410 L C 2.777 179.690 176.870 0.071 0.000 1.094 410 L CA 0.909 55.779 54.840 0.049 0.000 0.763 410 L CB -0.793 41.284 42.059 0.030 0.000 0.908 410 L HN 0.297 nan 8.230 nan 0.000 0.437 411 A N -0.168 122.682 122.820 0.050 0.000 1.898 411 A HA -0.264 4.057 4.320 0.001 0.000 0.216 411 A C 2.344 180.004 177.584 0.126 0.000 1.181 411 A CA 1.777 53.854 52.037 0.067 0.000 0.620 411 A CB -0.499 18.510 19.000 0.014 0.000 0.819 411 A HN 0.420 nan 8.150 nan 0.000 0.442 412 M N -0.485 119.167 119.600 0.086 0.000 2.108 412 M HA -0.213 4.268 4.480 0.001 0.000 0.261 412 M C 2.240 178.634 176.300 0.158 0.000 1.066 412 M CA 1.824 57.196 55.300 0.121 0.000 1.107 412 M CB -0.213 32.425 32.600 0.063 0.000 1.356 412 M HN 0.406 nan 8.290 nan 0.000 0.406 413 R N -1.049 119.525 120.500 0.124 0.000 2.081 413 R HA -0.196 4.144 4.340 0.001 0.000 0.235 413 R C 2.522 178.881 176.300 0.099 0.000 1.131 413 R CA 1.702 57.863 56.100 0.101 0.000 0.960 413 R CB -1.067 29.288 30.300 0.091 0.000 0.856 413 R HN 0.615 nan 8.270 nan 0.000 0.436 414 H N 0.110 119.212 119.070 0.054 0.000 2.321 414 H HA -0.201 4.355 4.556 0.001 0.000 0.300 414 H C 1.911 177.278 175.328 0.065 0.000 1.087 414 H CA 1.956 58.032 56.048 0.048 0.000 1.319 414 H CB -0.151 29.642 29.762 0.051 0.000 1.379 414 H HN 0.221 nan 8.280 nan 0.000 0.501 415 Y N 2.041 122.348 120.300 0.012 0.000 2.145 415 Y HA -0.166 4.385 4.550 0.001 0.000 0.286 415 Y C 2.298 178.120 175.900 -0.130 0.000 1.145 415 Y CA 1.695 59.761 58.100 -0.057 0.000 1.148 415 Y CB -0.171 38.284 38.460 -0.008 0.000 0.981 415 Y HN 0.008 nan 8.280 nan 0.000 0.507 416 K N 0.420 120.674 120.400 -0.244 0.000 2.211 416 K HA -0.135 4.186 4.320 0.001 0.000 0.203 416 K C 2.272 178.697 176.600 -0.292 0.000 1.050 416 K CA 1.254 57.312 56.287 -0.383 0.000 0.945 416 K CB -0.397 31.943 32.500 -0.266 0.000 0.732 416 K HN 0.396 nan 8.250 nan 0.000 0.451 417 R N 0.783 121.159 120.500 -0.207 0.000 2.066 417 R HA -0.052 4.289 4.340 0.001 0.000 0.232 417 R C 2.200 178.373 176.300 -0.212 0.000 1.131 417 R CA 1.290 57.286 56.100 -0.173 0.000 0.955 417 R CB -0.190 30.032 30.300 -0.129 0.000 0.851 417 R HN 0.121 nan 8.270 nan 0.000 0.432 418 A N 1.139 123.791 122.820 -0.281 0.000 1.917 418 A HA -0.269 4.052 4.320 0.001 0.000 0.219 418 A C 2.045 179.493 177.584 -0.228 0.000 1.182 418 A CA 1.916 53.804 52.037 -0.249 0.000 0.633 418 A CB -0.679 18.158 19.000 -0.271 0.000 0.819 418 A HN 0.649 nan 8.150 nan 0.000 0.448 419 E N -0.494 119.516 120.200 -0.316 0.000 2.047 419 E HA -0.172 4.179 4.350 0.001 0.000 0.191 419 E C 1.968 178.438 176.600 -0.217 0.000 0.987 419 E CA 1.880 58.098 56.400 -0.303 0.000 0.799 419 E CB -0.197 29.222 29.700 -0.469 0.000 0.752 419 E HN 0.690 nan 8.360 nan 0.000 0.449 420 T N -2.403 112.023 114.554 -0.212 0.000 3.081 420 T HA 0.098 4.448 4.350 0.001 0.000 0.255 420 T C 1.599 176.237 174.700 -0.104 0.000 1.113 420 T CA 0.526 62.538 62.100 -0.147 0.000 1.082 420 T CB 0.677 69.460 68.868 -0.140 0.000 0.939 420 T HN 0.038 nan 8.240 nan 0.000 0.506 421 V N 1.100 120.949 119.914 -0.109 0.000 2.911 421 V HA 0.144 4.265 4.120 0.001 0.000 0.237 421 V C 1.891 177.940 176.094 -0.073 0.000 1.156 421 V CA 0.710 62.963 62.300 -0.078 0.000 1.180 421 V CB 0.262 32.041 31.823 -0.072 0.000 0.932 421 V HN 0.332 nan 8.190 nan 0.000 0.483 422 D N 0.596 120.942 120.400 -0.089 0.000 2.348 422 D HA 0.137 4.778 4.640 0.001 0.000 0.211 422 D C 1.754 178.010 176.300 -0.073 0.000 0.998 422 D CA 1.122 55.078 54.000 -0.074 0.000 0.873 422 D CB 0.454 41.208 40.800 -0.078 0.000 0.925 422 D HN 0.500 nan 8.370 nan 0.000 0.524 423 G N 2.271 111.017 108.800 -0.090 0.000 2.225 423 G HA2 -0.315 3.646 3.960 0.001 0.000 0.267 423 G HA3 -0.315 3.646 3.960 0.001 0.000 0.267 423 G C 0.278 175.131 174.900 -0.078 0.000 1.024 423 G CA 1.060 46.110 45.100 -0.083 0.000 0.784 423 G HN 0.493 nan 8.290 nan 0.000 0.507 424 K N -1.622 118.723 120.400 -0.092 0.000 2.395 424 K HA 0.797 5.118 4.320 0.001 0.000 0.245 424 K C -0.715 175.834 176.600 -0.084 0.000 1.017 424 K CA -1.163 55.082 56.287 -0.070 0.000 0.852 424 K CB 2.328 34.797 32.500 -0.050 0.000 1.311 424 K HN 0.130 nan 8.250 nan 0.000 0.452 425 V N 1.854 121.748 119.914 -0.033 0.000 2.333 425 V HA 0.191 4.312 4.120 0.001 0.000 0.274 425 V C -0.985 175.142 176.094 0.055 0.000 1.028 425 V CA -0.318 61.990 62.300 0.015 0.000 0.851 425 V CB 0.808 32.661 31.823 0.050 0.000 1.000 425 V HN 0.783 nan 8.190 nan 0.000 0.456 426 D N 3.493 123.951 120.400 0.096 0.000 2.473 426 D HA 0.271 4.911 4.640 0.001 0.000 0.253 426 D C 0.692 177.146 176.300 0.258 0.000 1.233 426 D CA -0.240 53.839 54.000 0.132 0.000 0.908 426 D CB 2.100 42.938 40.800 0.063 0.000 1.170 426 D HN 0.589 nan 8.370 nan 0.000 0.558 427 T N 0.670 115.333 114.554 0.182 0.000 3.176 427 T HA 0.133 4.484 4.350 0.001 0.000 0.263 427 T C 1.520 176.266 174.700 0.076 0.000 1.021 427 T CA -0.361 61.806 62.100 0.112 0.000 0.905 427 T CB 0.309 69.188 68.868 0.019 0.000 1.057 427 T HN 0.288 nan 8.240 nan 0.000 0.558 428 R N 1.339 121.909 120.500 0.117 0.000 2.097 428 R HA -0.099 4.242 4.340 0.001 0.000 0.236 428 R C 2.523 178.821 176.300 -0.003 0.000 1.135 428 R CA 1.919 58.051 56.100 0.053 0.000 0.934 428 R CB -0.878 29.459 30.300 0.060 0.000 0.846 428 R HN 0.468 nan 8.270 nan 0.000 0.431 429 A N 1.209 124.020 122.820 -0.016 0.000 1.908 429 A HA -0.142 4.178 4.320 0.001 0.000 0.218 429 A C 2.314 179.881 177.584 -0.027 0.000 1.181 429 A CA 1.435 53.428 52.037 -0.073 0.000 0.627 429 A CB -0.603 18.340 19.000 -0.095 0.000 0.818 429 A HN 0.375 nan 8.150 nan 0.000 0.445 430 L N -0.856 120.357 121.223 -0.017 0.000 2.012 430 L HA -0.243 4.097 4.340 0.001 0.000 0.210 430 L C 2.611 179.449 176.870 -0.054 0.000 1.073 430 L CA 1.899 56.695 54.840 -0.073 0.000 0.748 430 L CB -0.833 41.118 42.059 -0.181 0.000 0.891 430 L HN 0.480 nan 8.230 nan 0.000 0.431 431 E N 0.063 120.239 120.200 -0.039 0.000 2.058 431 E HA -0.293 4.058 4.350 0.001 0.000 0.194 431 E C 2.121 178.709 176.600 -0.020 0.000 0.997 431 E CA 1.472 57.857 56.400 -0.026 0.000 0.801 431 E CB -0.093 29.598 29.700 -0.014 0.000 0.746 431 E HN 0.440 nan 8.360 nan 0.000 0.450 432 E N 0.424 120.610 120.200 -0.024 0.000 2.153 432 E HA -0.162 4.188 4.350 0.001 0.000 0.194 432 E C 1.866 178.457 176.600 -0.016 0.000 0.988 432 E CA 1.476 57.863 56.400 -0.022 0.000 0.811 432 E CB 0.217 29.897 29.700 -0.034 0.000 0.746 432 E HN 0.249 nan 8.360 nan 0.000 0.466 433 V N -3.463 116.440 119.914 -0.017 0.000 3.647 433 V HA 0.402 4.523 4.120 0.001 0.000 0.279 433 V C 1.087 177.182 176.094 0.002 0.000 1.314 433 V CA 0.461 62.757 62.300 -0.006 0.000 1.125 433 V CB 0.001 31.820 31.823 -0.007 0.000 0.907 433 V HN 0.275 nan 8.190 nan 0.000 0.434 434 G N 0.717 109.514 108.800 -0.004 0.000 2.160 434 G HA2 -0.221 3.740 3.960 0.001 0.000 0.244 434 G HA3 -0.221 3.740 3.960 0.001 0.000 0.244 434 G C -0.233 174.669 174.900 0.003 0.000 1.022 434 G CA 0.512 45.614 45.100 0.003 0.000 0.741 434 G HN 0.584 nan 8.290 nan 0.000 0.508 435 L N 0.966 122.176 121.223 -0.022 0.000 2.325 435 L HA 0.689 5.029 4.340 0.001 0.000 0.278 435 L C 1.222 178.048 176.870 -0.073 0.000 1.023 435 L CA -0.448 54.370 54.840 -0.038 0.000 0.811 435 L CB 1.850 43.864 42.059 -0.074 0.000 1.249 435 L HN 0.360 nan 8.230 nan 0.000 0.431 436 T N -2.590 111.928 114.554 -0.059 0.000 2.881 436 T HA 0.222 4.572 4.350 0.001 0.000 0.278 436 T C 0.812 175.420 174.700 -0.153 0.000 0.982 436 T CA -0.689 61.365 62.100 -0.077 0.000 0.989 436 T CB 1.474 70.329 68.868 -0.021 0.000 1.058 436 T HN 0.634 nan 8.240 nan 0.000 0.529 437 E N 0.473 120.569 120.200 -0.173 0.000 2.077 437 E HA -0.139 4.212 4.350 0.001 0.000 0.193 437 E C 2.433 178.968 176.600 -0.108 0.000 0.989 437 E CA 1.186 57.434 56.400 -0.253 0.000 0.800 437 E CB -0.405 29.227 29.700 -0.113 0.000 0.746 437 E HN 0.803 nan 8.360 nan 0.000 0.452 438 A N 1.266 124.071 122.820 -0.024 0.000 1.908 438 A HA -0.271 4.049 4.320 0.001 0.000 0.218 438 A C 2.045 179.656 177.584 0.045 0.000 1.181 438 A CA 1.498 53.558 52.037 0.037 0.000 0.627 438 A CB -0.454 18.581 19.000 0.058 0.000 0.818 438 A HN 0.209 nan 8.150 nan 0.000 0.445 439 Q N -0.689 119.122 119.800 0.018 0.000 2.050 439 Q HA -0.095 4.246 4.340 0.001 0.000 0.202 439 Q C 2.468 178.348 176.000 -0.199 0.000 0.980 439 Q CA 1.365 57.174 55.803 0.009 0.000 0.840 439 Q CB -0.415 28.348 28.738 0.041 0.000 0.898 439 Q HN 0.673 nan 8.270 nan 0.000 0.424 440 A N 1.144 123.845 122.820 -0.199 0.000 1.940 440 A HA -0.263 4.057 4.320 0.001 0.000 0.219 440 A C 1.981 179.538 177.584 -0.044 0.000 1.176 440 A CA 1.575 53.494 52.037 -0.196 0.000 0.631 440 A CB -0.477 18.349 19.000 -0.290 0.000 0.814 440 A HN 0.355 nan 8.150 nan 0.000 0.446 441 Q N -1.199 118.624 119.800 0.037 0.000 2.119 441 Q HA -0.178 4.163 4.340 0.001 0.000 0.201 441 Q C 2.087 178.181 176.000 0.157 0.000 0.972 441 Q CA 1.503 57.390 55.803 0.140 0.000 0.847 441 Q CB -0.081 28.741 28.738 0.141 0.000 0.903 441 Q HN 0.864 nan 8.270 nan 0.000 0.433 442 E N 0.360 120.624 120.200 0.106 0.000 2.158 442 E HA -0.128 4.223 4.350 0.001 0.000 0.191 442 E C 1.926 178.568 176.600 0.070 0.000 0.982 442 E CA 0.493 57.034 56.400 0.235 0.000 0.823 442 E CB 0.113 30.052 29.700 0.398 0.000 0.766 442 E HN 0.302 nan 8.360 nan 0.000 0.468 443 M N -0.276 119.029 119.600 -0.491 0.000 2.117 443 M HA -0.182 4.299 4.480 0.001 0.000 0.262 443 M C 2.155 178.346 176.300 -0.181 0.000 1.065 443 M CA 1.492 56.285 55.300 -0.845 0.000 1.114 443 M CB -0.378 31.676 32.600 -0.910 0.000 1.361 443 M HN 0.249 nan 8.290 nan 0.000 0.408 444 Y N 0.956 121.176 120.300 -0.133 0.000 2.145 444 Y HA -0.270 4.281 4.550 0.001 0.000 0.286 444 Y C 2.571 178.485 175.900 0.024 0.000 1.145 444 Y CA 1.989 60.073 58.100 -0.027 0.000 1.148 444 Y CB -0.386 38.076 38.460 0.005 0.000 0.981 444 Y HN 0.113 nan 8.280 nan 0.000 0.507 445 R N -1.094 119.455 120.500 0.081 0.000 2.083 445 R HA -0.243 4.097 4.340 0.001 0.000 0.237 445 R C 1.907 178.135 176.300 -0.119 0.000 1.137 445 R CA 2.273 58.352 56.100 -0.035 0.000 0.951 445 R CB -0.841 29.503 30.300 0.074 0.000 0.851 445 R HN 0.446 nan 8.270 nan 0.000 0.434 446 Y N 0.403 120.717 120.300 0.023 0.000 2.286 446 Y HA -0.030 4.521 4.550 0.001 0.000 0.293 446 Y C 2.088 178.037 175.900 0.082 0.000 1.124 446 Y CA 1.078 59.237 58.100 0.098 0.000 1.178 446 Y CB 0.090 38.677 38.460 0.211 0.000 1.010 446 Y HN 0.037 nan 8.280 nan 0.000 0.536 447 L N -1.918 119.372 121.223 0.111 0.000 2.249 447 L HA 0.074 4.414 4.340 0.001 0.000 0.207 447 L C 2.352 179.220 176.870 -0.004 0.000 1.090 447 L CA 0.798 55.687 54.840 0.082 0.000 0.802 447 L CB -0.478 41.595 42.059 0.024 0.000 0.947 447 L HN 0.133 nan 8.230 nan 0.000 0.453 448 A N 0.162 122.863 122.820 -0.198 0.000 1.881 448 A HA 0.040 4.360 4.320 0.001 0.000 0.210 448 A C 2.082 179.501 177.584 -0.275 0.000 1.239 448 A CA 0.411 52.270 52.037 -0.296 0.000 0.629 448 A CB -0.225 18.387 19.000 -0.646 0.000 0.906 448 A HN 0.098 nan 8.150 nan 0.000 0.460 449 I N -0.239 120.101 120.570 -0.383 0.000 2.202 449 I HA -0.050 4.121 4.170 0.001 0.000 0.242 449 I C 1.781 177.813 176.117 -0.143 0.000 1.091 449 I CA 1.302 62.465 61.300 -0.228 0.000 1.368 449 I CB -1.723 36.148 38.000 -0.215 0.000 1.058 449 I HN 0.528 nan 8.210 nan 0.000 0.410 450 A N 2.637 125.375 122.820 -0.136 0.000 2.312 450 A HA -0.225 4.095 4.320 0.001 0.000 0.286 450 A C 0.407 177.910 177.584 -0.135 0.000 1.425 450 A CA 0.287 52.269 52.037 -0.093 0.000 0.748 450 A CB -2.391 16.596 19.000 -0.022 0.000 1.126 450 A HN 0.556 nan 8.150 nan 0.000 0.368 451 N N -0.719 117.897 118.700 -0.141 0.000 2.416 451 N HA 0.130 4.871 4.740 0.001 0.000 0.246 451 N C 1.040 176.496 175.510 -0.090 0.000 1.260 451 N CA 0.467 53.467 53.050 -0.082 0.000 0.897 451 N CB 0.081 38.529 38.487 -0.065 0.000 1.110 451 N HN 0.573 nan 8.380 nan 0.000 0.439 452 Y N 1.710 121.929 120.300 -0.135 0.000 2.102 452 Y HA -0.298 4.253 4.550 0.001 0.000 0.280 452 Y C 2.237 178.072 175.900 -0.108 0.000 1.178 452 Y CA 2.094 60.120 58.100 -0.122 0.000 1.146 452 Y CB 0.087 38.551 38.460 0.007 0.000 0.968 452 Y HN 0.649 nan 8.280 nan 0.000 0.504 453 E N -0.889 119.395 120.200 0.139 0.000 2.333 453 E HA -0.200 4.151 4.350 0.001 0.000 0.198 453 E C 0.896 177.476 176.600 -0.032 0.000 1.007 453 E CA 1.521 57.969 56.400 0.080 0.000 0.845 453 E CB -0.323 29.438 29.700 0.103 0.000 0.766 453 E HN 0.556 nan 8.360 nan 0.000 0.507 454 D N 0.671 120.997 120.400 -0.123 0.000 2.355 454 D HA 0.079 4.720 4.640 0.001 0.000 0.206 454 D C 1.913 178.193 176.300 -0.034 0.000 1.010 454 D CA 0.194 54.124 54.000 -0.117 0.000 0.875 454 D CB 0.083 40.637 40.800 -0.410 0.000 0.966 454 D HN 0.195 nan 8.370 nan 0.000 0.512 455 R N -0.230 120.046 120.500 -0.373 0.000 2.100 455 R HA 0.067 4.407 4.340 0.001 0.000 0.220 455 R C -0.009 175.888 176.300 -0.672 0.000 1.091 455 R CA 0.622 56.289 56.100 -0.720 0.000 0.986 455 R CB 0.190 29.563 30.300 -1.544 0.000 0.888 455 R HN 0.074 nan 8.270 nan 0.000 0.444 456 F N 0.020 119.851 119.950 -0.199 0.000 2.460 456 F HA 0.336 4.863 4.527 0.001 0.000 0.341 456 F C -0.322 175.425 175.800 -0.088 0.000 1.130 456 F CA -1.309 56.583 58.000 -0.180 0.000 0.962 456 F CB 1.832 40.620 39.000 -0.354 0.000 1.171 456 F HN -0.399 nan 8.300 nan 0.000 0.436 457 V N 4.486 124.487 119.914 0.145 0.000 2.315 457 V HA 0.382 4.503 4.120 0.001 0.000 0.265 457 V C -0.650 175.495 176.094 0.085 0.000 1.019 457 V CA -0.572 61.788 62.300 0.100 0.000 0.824 457 V CB 1.134 33.009 31.823 0.087 0.000 1.072 457 V HN 0.517 nan 8.190 nan 0.000 0.448 458 V N 6.254 126.214 119.914 0.077 0.000 2.409 458 V HA 0.505 4.626 4.120 0.001 0.000 0.291 458 V C -1.943 174.176 176.094 0.042 0.000 1.020 458 V CA -1.514 60.822 62.300 0.058 0.000 0.848 458 V CB 2.237 34.086 31.823 0.045 0.000 0.990 458 V HN 0.599 nan 8.190 nan 0.000 0.430 459 P HA 0.301 nan 4.420 nan 0.000 0.281 459 P C -0.173 177.128 177.300 0.001 0.000 1.249 459 P CA -0.209 62.903 63.100 0.020 0.000 0.810 459 P CB 1.461 33.181 31.700 0.034 0.000 1.008 460 S N 0.374 116.044 115.700 -0.050 0.000 2.614 460 S HA 0.128 4.599 4.470 0.001 0.000 0.265 460 S C 1.096 175.649 174.600 -0.078 0.000 1.303 460 S CA -0.106 58.048 58.200 -0.076 0.000 1.000 460 S CB 0.043 63.163 63.200 -0.134 0.000 0.935 460 S HN 0.515 nan 8.310 nan 0.000 0.551 461 S N -0.422 115.263 115.700 -0.025 0.000 2.634 461 S HA 0.120 4.591 4.470 0.001 0.000 0.221 461 S C 0.241 174.911 174.600 0.116 0.000 0.952 461 S CA -0.341 57.891 58.200 0.052 0.000 0.930 461 S CB -0.957 62.283 63.200 0.067 0.000 0.780 461 S HN 0.849 nan 8.310 nan 0.000 0.498 462 H N 1.335 120.419 119.070 0.023 0.000 2.672 462 H HA -0.081 4.475 4.556 0.001 0.000 0.325 462 H C 0.648 175.988 175.328 0.019 0.000 1.158 462 H CA 0.658 56.717 56.048 0.018 0.000 1.134 462 H CB -1.020 28.749 29.762 0.012 0.000 1.553 462 H HN 0.456 nan 8.280 nan 0.000 0.419 463 R N 1.235 121.783 120.500 0.079 0.000 2.285 463 R HA -0.093 4.247 4.340 0.001 0.000 0.213 463 R C 1.984 178.321 176.300 0.062 0.000 1.068 463 R CA 1.013 57.152 56.100 0.066 0.000 1.004 463 R CB 0.124 30.452 30.300 0.047 0.000 0.873 463 R HN 0.660 nan 8.270 nan 0.000 0.467 464 E N 0.806 121.050 120.200 0.074 0.000 2.347 464 E HA -0.080 4.271 4.350 0.001 0.000 0.196 464 E C 0.794 177.427 176.600 0.055 0.000 1.008 464 E CA 0.453 56.889 56.400 0.061 0.000 0.852 464 E CB -0.144 29.596 29.700 0.067 0.000 0.783 464 E HN 0.247 nan 8.360 nan 0.000 0.505 465 L N 0.000 121.263 121.223 0.067 0.000 2.949 465 L HA 0.000 4.341 4.340 0.001 0.000 0.249 465 L CA 0.000 54.864 54.840 0.040 0.000 0.813 465 L CB 0.000 42.078 42.059 0.031 0.000 0.961 465 L HN 0.000 nan 8.230 nan 0.000 0.502