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 3eyj_1_A DATA FIRST_RESID 9 DATA SEQUENCE GNPIICLGHH AVENGTSVKT LTDNHVEVVS AKELVETKHT DELcPSPLKL DATA SEQUENCE VDGQDcDLIN GALGSPGcDR LQDTTWDVFI ERPTAVDTcY PFDVPDYQSL DATA SEQUENCE RSILASSGSL EFIAEQFTWN GVKVDGSSSA cLRGGRNSFF SRLNWLTKAT DATA SEQUENCE NXGNYGPINV TKENTGSYVR LYLWGVHHPS SDNEQTDLYK VATGRVTVST DATA SEQUENCE RSDQISIVPN IGSRPRVRNQ SGRISIYWTL VNPGDSIIFN SIGNLIAPRG DATA SEQUENCE HYKISKXSTK STVLKSDKRI GScTSPcLTD KGSIQSDKPF QNVSRIAIGN DATA SEQUENCE cPKYVKQGSL MLATGMRNIP G 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 9 G HA2 0.000 nan 3.960 nan 0.000 0.244 9 G HA3 0.000 3.975 3.960 0.025 0.000 0.244 9 G C 0.000 174.900 174.900 0.000 0.000 0.946 9 G CA 0.000 45.100 45.100 0.000 0.000 0.502 10 N N 1.657 120.357 118.700 0.001 0.000 2.492 10 N HA 0.602 5.357 4.740 0.025 0.000 0.289 10 N C -2.239 173.271 175.510 0.001 0.000 1.133 10 N CA -0.881 52.170 53.050 0.001 0.000 0.961 10 N CB 1.592 40.079 38.487 0.001 0.000 1.186 10 N HN 0.263 nan 8.380 nan 0.000 0.493 11 P HA 0.232 nan 4.420 nan 0.000 0.269 11 P C -0.277 177.024 177.300 0.001 0.000 1.209 11 P CA -0.153 62.947 63.100 0.001 0.000 0.776 11 P CB 0.548 32.248 31.700 0.001 0.000 0.876 12 I N -0.547 120.024 120.570 0.001 0.000 2.785 12 I HA 0.694 4.879 4.170 0.025 0.000 0.302 12 I C -1.153 174.965 176.117 0.001 0.000 1.069 12 I CA -1.340 59.960 61.300 0.001 0.000 1.045 12 I CB 2.342 40.343 38.000 0.001 0.000 1.236 12 I HN 0.251 nan 8.210 nan 0.000 0.429 13 I N 5.002 125.574 120.570 0.002 0.000 2.499 13 I HA 0.515 4.700 4.170 0.025 0.000 0.288 13 I C -1.148 174.971 176.117 0.004 0.000 1.048 13 I CA -0.198 61.104 61.300 0.003 0.000 1.062 13 I CB 1.347 39.349 38.000 0.004 0.000 1.238 13 I HN 0.776 nan 8.210 nan 0.000 0.426 14 C N 7.019 126.320 119.300 0.003 0.000 2.411 14 C HA 0.628 5.103 4.460 0.025 0.000 0.330 14 C C -0.174 174.820 174.990 0.007 0.000 1.224 14 C CA -0.708 58.312 59.018 0.004 0.000 1.770 14 C CB 1.137 28.875 27.740 -0.002 0.000 2.297 14 C HN 0.563 nan 8.230 nan 0.000 0.507 15 L N 2.615 123.847 121.223 0.014 0.000 2.317 15 L HA 0.828 5.183 4.340 0.025 0.000 0.281 15 L C 0.633 177.522 176.870 0.031 0.000 1.024 15 L CA 0.398 55.253 54.840 0.025 0.000 0.810 15 L CB 1.293 43.371 42.059 0.032 0.000 1.240 15 L HN 0.934 nan 8.230 nan 0.000 0.427 16 G N -0.003 108.817 108.800 0.035 0.000 2.687 16 G HA2 0.687 4.662 3.960 0.025 0.000 0.291 16 G HA3 0.687 4.662 3.960 0.025 0.000 0.291 16 G C -1.896 173.043 174.900 0.064 0.000 1.420 16 G CA -0.511 44.590 45.100 0.002 0.000 0.796 16 G HN 0.731 nan 8.290 nan 0.000 0.485 17 H N -1.798 117.292 119.070 0.034 0.000 2.949 17 H HA 0.727 5.298 4.556 0.025 0.000 0.356 17 H C -0.382 174.990 175.328 0.072 0.000 1.212 17 H CA -1.117 54.969 56.048 0.064 0.000 1.136 17 H CB 1.239 31.015 29.762 0.023 0.000 1.869 17 H HN 0.737 nan 8.280 nan 0.000 0.556 18 H N 0.945 120.080 119.070 0.107 0.000 2.505 18 H HA 0.793 5.364 4.556 0.025 0.000 0.351 18 H C -1.084 174.306 175.328 0.103 0.000 1.151 18 H CA -0.458 55.617 56.048 0.044 0.000 1.339 18 H CB 1.020 30.808 29.762 0.042 0.000 1.483 18 H HN 0.881 nan 8.280 nan 0.000 0.558 19 A N 2.348 125.145 122.820 -0.037 0.000 2.566 19 A HA 0.621 4.956 4.320 0.025 0.000 0.292 19 A C -0.572 177.017 177.584 0.009 0.000 1.112 19 A CA -0.155 51.842 52.037 -0.068 0.000 0.707 19 A CB 1.609 20.587 19.000 -0.036 0.000 1.302 19 A HN 0.906 nan 8.150 nan 0.000 0.409 20 V N -1.727 118.188 119.914 0.003 0.000 3.074 20 V HA 0.608 4.743 4.120 0.025 0.000 0.314 20 V C 0.872 176.973 176.094 0.012 0.000 1.117 20 V CA -0.190 62.126 62.300 0.025 0.000 1.014 20 V CB 1.522 33.368 31.823 0.039 0.000 1.057 20 V HN 1.068 nan 8.190 nan 0.000 0.438 21 E N 1.141 121.350 120.200 0.015 0.000 2.031 21 E HA -0.099 4.266 4.350 0.025 0.000 0.193 21 E C 0.069 176.675 176.600 0.009 0.000 0.994 21 E CA 1.397 57.803 56.400 0.011 0.000 0.800 21 E CB 0.131 29.838 29.700 0.011 0.000 0.752 21 E HN 0.810 nan 8.360 nan 0.000 0.447 22 N N 0.522 119.228 118.700 0.010 0.000 2.546 22 N HA 0.215 4.970 4.740 0.025 0.000 0.238 22 N C -0.330 175.181 175.510 0.003 0.000 0.984 22 N CA -0.024 53.031 53.050 0.008 0.000 0.935 22 N CB 1.536 40.028 38.487 0.009 0.000 1.122 22 N HN 0.118 nan 8.380 nan 0.000 0.510 23 G N 0.442 109.239 108.800 -0.005 0.000 2.588 23 G HA2 0.412 4.387 3.960 0.025 0.000 0.278 23 G HA3 0.412 4.387 3.960 0.025 0.000 0.278 23 G C -0.398 174.486 174.900 -0.027 0.000 1.307 23 G CA -0.050 45.039 45.100 -0.018 0.000 1.016 23 G HN 0.332 nan 8.290 nan 0.000 0.503 24 T N -0.689 113.840 114.554 -0.042 0.000 2.876 24 T HA 0.489 4.854 4.350 0.025 0.000 0.289 24 T C -0.158 174.480 174.700 -0.104 0.000 1.014 24 T CA -0.329 61.738 62.100 -0.056 0.000 0.986 24 T CB 1.682 70.529 68.868 -0.036 0.000 1.021 24 T HN 0.496 nan 8.240 nan 0.000 0.458 25 S N 1.935 117.541 115.700 -0.156 0.000 2.513 25 S HA 0.658 5.143 4.470 0.025 0.000 0.276 25 S C -0.015 174.483 174.600 -0.170 0.000 1.254 25 S CA -0.600 57.431 58.200 -0.281 0.000 1.053 25 S CB -0.114 62.772 63.200 -0.524 0.000 0.958 25 S HN 0.674 nan 8.310 nan 0.000 0.491 26 V N 2.644 122.471 119.914 -0.145 0.000 3.141 26 V HA 0.723 4.858 4.120 0.025 0.000 0.312 26 V C -0.972 175.089 176.094 -0.056 0.000 1.157 26 V CA -1.180 61.075 62.300 -0.075 0.000 1.041 26 V CB 1.621 33.414 31.823 -0.048 0.000 1.071 26 V HN 0.785 nan 8.190 nan 0.000 0.441 27 K N 1.237 121.622 120.400 -0.026 0.000 2.123 27 K HA 0.755 5.090 4.320 0.025 0.000 0.259 27 K C -0.106 176.488 176.600 -0.010 0.000 0.960 27 K CA -0.146 56.135 56.287 -0.010 0.000 0.872 27 K CB 1.900 34.398 32.500 -0.004 0.000 1.079 27 K HN 1.101 nan 8.250 nan 0.000 0.440 28 T N -2.203 112.348 114.554 -0.005 0.000 2.693 28 T HA 0.317 4.682 4.350 0.025 0.000 0.278 28 T C 1.132 175.830 174.700 -0.003 0.000 0.994 28 T CA -0.935 61.161 62.100 -0.006 0.000 1.033 28 T CB 0.291 69.154 68.868 -0.007 0.000 1.342 28 T HN 0.398 nan 8.240 nan 0.000 0.538 29 L N 0.742 121.963 121.223 -0.003 0.000 2.275 29 L HA 0.043 4.398 4.340 0.025 0.000 0.215 29 L C 2.650 179.519 176.870 -0.001 0.000 1.119 29 L CA 1.723 56.561 54.840 -0.003 0.000 0.790 29 L CB -0.660 41.397 42.059 -0.003 0.000 0.919 29 L HN 1.018 nan 8.230 nan 0.000 0.443 30 T N -6.552 108.002 114.554 0.000 0.000 2.959 30 T HA 0.118 4.483 4.350 0.025 0.000 0.254 30 T C 0.337 175.041 174.700 0.007 0.000 1.003 30 T CA -0.362 61.739 62.100 0.002 0.000 0.950 30 T CB 0.511 69.379 68.868 0.001 0.000 1.090 30 T HN -0.026 nan 8.240 nan 0.000 0.503 31 D N 0.309 120.714 120.400 0.009 0.000 2.787 31 D HA 0.405 5.060 4.640 0.025 0.000 0.246 31 D C -0.004 176.313 176.300 0.028 0.000 1.150 31 D CA -0.511 53.501 54.000 0.021 0.000 0.864 31 D CB 2.046 42.858 40.800 0.021 0.000 1.481 31 D HN -0.212 nan 8.370 nan 0.000 0.509 32 N N 1.002 119.731 118.700 0.048 0.000 2.354 32 N HA -0.084 4.671 4.740 0.025 0.000 0.179 32 N C -0.263 175.313 175.510 0.110 0.000 1.021 32 N CA 0.751 53.839 53.050 0.063 0.000 0.887 32 N CB -0.011 38.512 38.487 0.059 0.000 0.974 32 N HN 0.498 nan 8.380 nan 0.000 0.437 33 H N -0.464 118.602 119.070 -0.007 0.000 3.108 33 H HA 0.505 5.076 4.556 0.025 0.000 0.329 33 H C -1.645 173.678 175.328 -0.007 0.000 0.978 33 H CA -0.490 55.554 56.048 -0.006 0.000 1.413 33 H CB 0.797 30.555 29.762 -0.006 0.000 1.670 33 H HN -0.344 nan 8.280 nan 0.000 0.512 34 V N 4.358 124.199 119.914 -0.123 0.000 2.686 34 V HA 0.202 4.337 4.120 0.025 0.000 0.306 34 V C -0.358 175.654 176.094 -0.136 0.000 1.065 34 V CA -0.956 61.299 62.300 -0.074 0.000 0.894 34 V CB 1.863 33.661 31.823 -0.040 0.000 1.004 34 V HN 0.802 nan 8.190 nan 0.000 0.424 35 E N 3.729 123.871 120.200 -0.096 0.000 2.130 35 E HA 0.606 4.971 4.350 0.025 0.000 0.284 35 E C -0.609 175.951 176.600 -0.067 0.000 1.018 35 E CA -0.432 55.911 56.400 -0.096 0.000 0.817 35 E CB 1.551 31.215 29.700 -0.059 0.000 1.078 35 E HN 0.672 nan 8.360 nan 0.000 0.396 36 V N 1.590 121.464 119.914 -0.067 0.000 3.103 36 V HA 0.359 4.494 4.120 0.025 0.000 0.318 36 V C 0.981 177.048 176.094 -0.045 0.000 1.114 36 V CA -0.783 61.483 62.300 -0.056 0.000 1.020 36 V CB 1.463 33.257 31.823 -0.048 0.000 1.085 36 V HN 0.566 nan 8.190 nan 0.000 0.446 37 V N 1.212 121.098 119.914 -0.046 0.000 2.515 37 V HA 0.028 4.163 4.120 0.025 0.000 0.250 37 V C 1.113 177.212 176.094 0.008 0.000 1.058 37 V CA 2.037 64.320 62.300 -0.028 0.000 1.064 37 V CB -0.466 31.319 31.823 -0.062 0.000 0.675 37 V HN 1.228 nan 8.190 nan 0.000 0.461 38 S N -1.680 114.025 115.700 0.008 0.000 2.565 38 S HA 0.839 5.324 4.470 0.025 0.000 0.269 38 S C -0.938 173.665 174.600 0.004 0.000 1.153 38 S CA -0.072 58.137 58.200 0.015 0.000 0.835 38 S CB 2.360 65.581 63.200 0.035 0.000 1.122 38 S HN 0.909 nan 8.310 nan 0.000 0.462 39 A N 1.194 124.016 122.820 0.003 0.000 2.612 39 A HA 0.851 5.186 4.320 0.025 0.000 0.293 39 A C -1.426 176.160 177.584 0.004 0.000 1.075 39 A CA -0.832 51.204 52.037 -0.000 0.000 0.680 39 A CB 1.773 20.767 19.000 -0.010 0.000 1.279 39 A HN 0.979 nan 8.150 nan 0.000 0.411 40 K N 0.875 121.279 120.400 0.007 0.000 2.324 40 K HA 0.498 4.833 4.320 0.025 0.000 0.253 40 K C -0.881 175.728 176.600 0.016 0.000 0.932 40 K CA -0.415 55.878 56.287 0.009 0.000 0.799 40 K CB 1.669 34.174 32.500 0.007 0.000 1.154 40 K HN 0.716 nan 8.250 nan 0.000 0.425 41 E N 3.961 124.171 120.200 0.017 0.000 2.324 41 E HA 0.055 4.420 4.350 0.025 0.000 0.271 41 E C -0.160 176.463 176.600 0.039 0.000 1.028 41 E CA 0.272 56.688 56.400 0.028 0.000 0.890 41 E CB 0.639 30.353 29.700 0.023 0.000 1.004 41 E HN 0.630 nan 8.360 nan 0.000 0.431 42 L N 3.587 124.853 121.223 0.071 0.000 2.693 42 L HA 0.244 4.599 4.340 0.025 0.000 0.235 42 L C -0.280 176.681 176.870 0.152 0.000 1.127 42 L CA -0.192 54.706 54.840 0.096 0.000 0.914 42 L CB 0.596 42.752 42.059 0.162 0.000 1.193 42 L HN 0.307 nan 8.230 nan 0.000 0.502 43 V N 0.664 120.656 119.914 0.130 0.000 2.328 43 V HA 0.191 4.326 4.120 0.025 0.000 0.278 43 V C 0.008 176.150 176.094 0.080 0.000 1.021 43 V CA -0.628 61.750 62.300 0.130 0.000 0.838 43 V CB 1.508 33.379 31.823 0.079 0.000 0.999 43 V HN 0.070 nan 8.190 nan 0.000 0.447 44 E N 3.511 123.761 120.200 0.082 0.000 2.290 44 E HA 0.217 4.582 4.350 0.025 0.000 0.277 44 E C 1.045 177.693 176.600 0.079 0.000 1.035 44 E CA 0.479 56.920 56.400 0.068 0.000 0.873 44 E CB 1.340 31.079 29.700 0.065 0.000 1.029 44 E HN 0.821 nan 8.360 nan 0.000 0.419 45 T N 0.876 115.470 114.554 0.067 0.000 2.959 45 T HA 0.213 4.578 4.350 0.025 0.000 0.254 45 T C 0.608 175.357 174.700 0.081 0.000 1.003 45 T CA -0.233 61.913 62.100 0.076 0.000 0.950 45 T CB 0.066 68.965 68.868 0.051 0.000 1.090 45 T HN 0.268 nan 8.240 nan 0.000 0.503 46 K N 1.658 122.087 120.400 0.047 0.000 2.123 46 K HA 0.446 4.781 4.320 0.025 0.000 0.248 46 K C -0.502 176.126 176.600 0.046 0.000 0.969 46 K CA -0.861 55.413 56.287 -0.022 0.000 0.882 46 K CB 0.772 33.238 32.500 -0.058 0.000 1.080 46 K HN 0.575 nan 8.250 nan 0.000 0.441 47 H N -0.586 118.497 119.070 0.022 0.000 2.985 47 H HA 0.162 4.734 4.556 0.026 0.000 0.360 47 H C 0.017 175.353 175.328 0.013 0.000 1.221 47 H CA -0.491 55.569 56.048 0.019 0.000 1.121 47 H CB 1.414 31.190 29.762 0.023 0.000 1.854 47 H HN 0.732 nan 8.280 nan 0.000 0.551 48 T N -2.681 111.966 114.554 0.155 0.000 2.995 48 T HA -0.082 4.283 4.350 0.025 0.000 0.269 48 T C 0.738 175.498 174.700 0.099 0.000 1.091 48 T CA 1.419 63.565 62.100 0.077 0.000 1.128 48 T CB -0.289 68.617 68.868 0.063 0.000 0.891 48 T HN 0.791 nan 8.240 nan 0.000 0.492 49 D N 0.295 120.841 120.400 0.243 0.000 2.328 49 D HA -0.162 4.493 4.640 0.025 0.000 0.167 49 D C -0.272 176.080 176.300 0.086 0.000 1.205 49 D CA 1.689 55.798 54.000 0.183 0.000 1.128 49 D CB -1.212 39.646 40.800 0.097 0.000 1.157 49 D HN 0.778 nan 8.370 nan 0.000 0.468 50 E N -0.092 120.144 120.200 0.060 0.000 2.221 50 E HA 0.545 4.910 4.350 0.025 0.000 0.268 50 E C -0.228 176.385 176.600 0.022 0.000 0.933 50 E CA -0.979 55.438 56.400 0.029 0.000 0.809 50 E CB 1.557 31.267 29.700 0.016 0.000 1.190 50 E HN 0.158 nan 8.360 nan 0.000 0.406 51 L N 1.842 123.066 121.223 0.003 0.000 2.313 51 L HA 0.198 4.553 4.340 0.025 0.000 0.282 51 L C -0.274 176.595 176.870 -0.001 0.000 1.092 51 L CA -0.706 54.132 54.840 -0.004 0.000 0.831 51 L CB 0.290 42.336 42.059 -0.022 0.000 1.159 51 L HN 0.491 nan 8.230 nan 0.000 0.442 52 c N 5.289 123.893 118.600 0.006 0.000 2.576 52 c HA 0.195 4.780 4.570 0.025 0.000 0.401 52 c C -0.905 173.187 174.090 0.004 0.000 1.314 52 c CA -0.722 55.611 56.329 0.007 0.000 1.855 52 c CB 0.134 42.651 42.510 0.013 0.000 2.537 52 c HN 0.616 nan 8.230 nan 0.000 0.578 53 P HA 0.062 nan 4.420 nan 0.000 0.253 53 P C -0.201 177.104 177.300 0.008 0.000 1.260 53 P CA 0.735 63.836 63.100 0.002 0.000 0.800 53 P CB 0.162 31.861 31.700 -0.003 0.000 1.162 54 S N 0.444 116.149 115.700 0.010 0.000 2.540 54 S HA 0.403 4.888 4.470 0.025 0.000 0.275 54 S C -2.458 172.149 174.600 0.013 0.000 1.123 54 S CA -0.944 57.263 58.200 0.012 0.000 0.907 54 S CB 2.307 65.512 63.200 0.009 0.000 1.081 54 S HN -0.048 nan 8.310 nan 0.000 0.476 55 P HA 0.210 nan 4.420 nan 0.000 0.255 55 P C -0.312 177.000 177.300 0.020 0.000 1.248 55 P CA 0.047 63.156 63.100 0.015 0.000 0.807 55 P CB 0.087 31.794 31.700 0.012 0.000 1.150 56 L N 0.524 121.762 121.223 0.024 0.000 2.397 56 L HA 0.236 4.591 4.340 0.025 0.000 0.271 56 L C 1.043 177.938 176.870 0.043 0.000 1.148 56 L CA -0.456 54.405 54.840 0.036 0.000 0.825 56 L CB 0.441 42.524 42.059 0.041 0.000 1.117 56 L HN -0.148 nan 8.230 nan 0.000 0.456 57 K N 4.016 124.452 120.400 0.060 0.000 2.316 57 K HA 0.416 4.751 4.320 0.025 0.000 0.289 57 K C -1.010 175.654 176.600 0.107 0.000 1.070 57 K CA -0.359 55.972 56.287 0.073 0.000 0.928 57 K CB 0.423 32.969 32.500 0.077 0.000 1.039 57 K HN 0.477 nan 8.250 nan 0.000 0.480 58 L N 4.076 125.335 121.223 0.059 0.000 2.331 58 L HA 0.519 4.874 4.340 0.025 0.000 0.275 58 L C -0.648 176.210 176.870 -0.020 0.000 1.022 58 L CA -1.249 53.601 54.840 0.016 0.000 0.812 58 L CB 1.948 43.987 42.059 -0.033 0.000 1.257 58 L HN 0.290 nan 8.230 nan 0.000 0.435 59 V N 1.085 120.912 119.914 -0.145 0.000 2.482 59 V HA 0.204 4.339 4.120 0.025 0.000 0.295 59 V C -0.870 174.847 176.094 -0.627 0.000 1.026 59 V CA -0.550 61.578 62.300 -0.287 0.000 0.856 59 V CB 1.946 33.660 31.823 -0.181 0.000 1.001 59 V HN 0.649 nan 8.190 nan 0.000 0.424 60 D N 3.800 123.934 120.400 -0.444 0.000 2.380 60 D HA 0.293 4.948 4.640 0.025 0.000 0.230 60 D C 1.353 177.363 176.300 -0.483 0.000 1.154 60 D CA 0.387 54.126 54.000 -0.436 0.000 0.859 60 D CB 1.843 42.507 40.800 -0.227 0.000 1.045 60 D HN 0.594 nan 8.370 nan 0.000 0.495 61 G N 3.358 111.764 108.800 -0.655 0.000 2.462 61 G HA2 -0.253 3.722 3.960 0.025 0.000 0.220 61 G HA3 -0.253 3.722 3.960 0.025 0.000 0.220 61 G C 0.910 175.749 174.900 -0.101 0.000 1.121 61 G CA 1.194 46.110 45.100 -0.307 0.000 0.758 61 G HN 0.738 nan 8.290 nan 0.000 0.559 62 Q N -1.018 118.714 119.800 -0.115 0.000 2.024 62 Q HA -0.266 4.089 4.340 0.025 0.000 0.378 62 Q C 0.787 176.775 176.000 -0.020 0.000 0.665 62 Q CA 1.882 57.649 55.803 -0.060 0.000 0.962 62 Q CB -1.222 27.485 28.738 -0.051 0.000 2.463 62 Q HN 0.433 nan 8.270 nan 0.000 0.806 63 D N -0.402 119.997 120.400 -0.001 0.000 2.349 63 D HA 0.215 4.870 4.640 0.025 0.000 0.214 63 D C -0.243 176.081 176.300 0.039 0.000 1.063 63 D CA 0.265 54.275 54.000 0.015 0.000 0.847 63 D CB 0.162 40.969 40.800 0.012 0.000 0.933 63 D HN 0.149 nan 8.370 nan 0.000 0.513 64 c N 2.312 120.946 118.600 0.057 0.000 2.329 64 c HA 0.336 4.921 4.570 0.025 0.000 0.329 64 c C 0.356 174.523 174.090 0.129 0.000 1.275 64 c CA -1.078 55.307 56.329 0.092 0.000 1.726 64 c CB 0.849 43.422 42.510 0.105 0.000 2.291 64 c HN 0.327 nan 8.230 nan 0.000 0.514 65 D N 1.699 122.168 120.400 0.114 0.000 2.433 65 D HA 0.166 4.821 4.640 0.025 0.000 0.255 65 D C 0.925 177.220 176.300 -0.008 0.000 1.226 65 D CA -0.760 53.304 54.000 0.107 0.000 1.015 65 D CB 0.357 41.215 40.800 0.097 0.000 1.091 65 D HN 0.228 nan 8.370 nan 0.000 0.527 66 L N -0.182 120.896 121.223 -0.243 0.000 2.046 66 L HA -0.004 4.351 4.340 0.025 0.000 0.208 66 L C 1.919 178.559 176.870 -0.383 0.000 1.077 66 L CA 1.513 55.956 54.840 -0.661 0.000 0.747 66 L CB -0.572 40.933 42.059 -0.924 0.000 0.896 66 L HN 0.611 nan 8.230 nan 0.000 0.432 67 I N -0.656 119.764 120.570 -0.250 0.000 2.233 67 I HA -0.259 3.926 4.170 0.025 0.000 0.243 67 I C 2.137 178.194 176.117 -0.100 0.000 1.093 67 I CA 0.964 62.130 61.300 -0.223 0.000 1.380 67 I CB -0.487 37.346 38.000 -0.279 0.000 1.067 67 I HN 0.339 nan 8.210 nan 0.000 0.413 68 N N 1.228 119.958 118.700 0.049 0.000 2.137 68 N HA -0.159 4.596 4.740 0.025 0.000 0.190 68 N C 1.842 177.371 175.510 0.031 0.000 1.017 68 N CA 1.734 54.845 53.050 0.101 0.000 0.859 68 N CB -0.499 38.099 38.487 0.185 0.000 1.002 68 N HN 0.451 nan 8.380 nan 0.000 0.428 69 G N 0.274 109.068 108.800 -0.010 0.000 2.408 69 G HA2 -0.130 3.845 3.960 0.025 0.000 0.217 69 G HA3 -0.130 3.845 3.960 0.025 0.000 0.217 69 G C 1.623 176.511 174.900 -0.019 0.000 1.150 69 G CA 1.018 46.120 45.100 0.003 0.000 0.776 69 G HN 0.441 nan 8.290 nan 0.000 0.542 70 A N 0.272 123.029 122.820 -0.104 0.000 1.968 70 A HA 0.253 4.588 4.320 0.025 0.000 0.217 70 A C 2.352 179.934 177.584 -0.003 0.000 1.169 70 A CA 0.814 52.806 52.037 -0.076 0.000 0.638 70 A CB -0.231 18.613 19.000 -0.261 0.000 0.812 70 A HN 0.345 nan 8.150 nan 0.000 0.446 71 L N -1.437 119.713 121.223 -0.121 0.000 2.240 71 L HA 0.151 4.506 4.340 0.025 0.000 0.211 71 L C 1.497 178.322 176.870 -0.075 0.000 1.106 71 L CA 0.721 55.430 54.840 -0.218 0.000 0.793 71 L CB -0.364 41.383 42.059 -0.521 0.000 0.927 71 L HN 0.581 nan 8.230 nan 0.000 0.446 72 G N 0.468 109.267 108.800 -0.001 0.000 2.356 72 G HA2 -0.199 3.776 3.960 0.025 0.000 0.233 72 G HA3 -0.199 3.776 3.960 0.025 0.000 0.233 72 G C -0.026 174.901 174.900 0.044 0.000 1.105 72 G CA -0.050 45.056 45.100 0.009 0.000 0.861 72 G HN 0.194 nan 8.290 nan 0.000 0.493 73 S N 0.481 116.226 115.700 0.075 0.000 2.603 73 S HA 0.488 4.973 4.470 0.025 0.000 0.268 73 S C -0.434 174.164 174.600 -0.004 0.000 1.317 73 S CA -0.649 57.561 58.200 0.016 0.000 1.012 73 S CB 1.435 64.692 63.200 0.095 0.000 0.926 73 S HN 0.145 nan 8.310 nan 0.000 0.539 74 P HA -0.145 nan 4.420 nan 0.000 0.218 74 P C 1.334 178.641 177.300 0.012 0.000 1.154 74 P CA 1.334 64.427 63.100 -0.011 0.000 0.872 74 P CB -0.123 31.567 31.700 -0.016 0.000 0.790 75 G N -2.169 106.644 108.800 0.022 0.000 2.920 75 G HA2 -0.101 3.874 3.960 0.025 0.000 0.208 75 G HA3 -0.101 3.874 3.960 0.025 0.000 0.208 75 G C 0.872 175.793 174.900 0.035 0.000 1.159 75 G CA 0.197 45.314 45.100 0.028 0.000 0.784 75 G HN 0.296 nan 8.290 nan 0.000 0.535 76 c N 0.636 119.261 118.600 0.042 0.000 2.754 76 c HA 0.206 4.791 4.570 0.025 0.000 0.276 76 c C 1.647 175.770 174.090 0.055 0.000 1.264 76 c CA -0.961 55.401 56.329 0.055 0.000 1.700 76 c CB -0.169 42.380 42.510 0.065 0.000 1.885 76 c HN 0.316 nan 8.230 nan 0.000 0.607 77 D N 2.240 122.666 120.400 0.043 0.000 2.218 77 D HA -0.124 4.532 4.640 0.025 0.000 0.204 77 D C 2.214 178.545 176.300 0.053 0.000 0.976 77 D CA 0.874 54.901 54.000 0.045 0.000 0.853 77 D CB -0.301 40.520 40.800 0.036 0.000 0.939 77 D HN 0.652 nan 8.370 nan 0.000 0.481 78 R N 0.424 120.952 120.500 0.047 0.000 2.357 78 R HA 0.034 4.390 4.340 0.025 0.000 0.202 78 R C 1.501 177.843 176.300 0.070 0.000 1.047 78 R CA 0.452 56.581 56.100 0.048 0.000 1.034 78 R CB -0.391 29.927 30.300 0.029 0.000 0.875 78 R HN 0.197 nan 8.270 nan 0.000 0.473 79 L N 1.246 122.525 121.223 0.092 0.000 2.653 79 L HA 0.152 4.507 4.340 0.025 0.000 0.231 79 L C 0.165 177.136 176.870 0.168 0.000 1.153 79 L CA 0.065 54.990 54.840 0.141 0.000 0.933 79 L CB 0.131 42.284 42.059 0.157 0.000 1.175 79 L HN 0.290 nan 8.230 nan 0.000 0.473 80 Q N -0.064 119.817 119.800 0.134 0.000 2.261 80 Q HA 0.105 4.460 4.340 0.025 0.000 0.252 80 Q C -0.142 175.951 176.000 0.155 0.000 0.915 80 Q CA -0.389 55.504 55.803 0.149 0.000 0.915 80 Q CB 1.179 29.984 28.738 0.112 0.000 1.204 80 Q HN 0.059 nan 8.270 nan 0.000 0.421 81 D N 0.146 120.656 120.400 0.184 0.000 3.079 81 D HA -0.145 4.510 4.640 0.025 0.000 0.214 81 D C -0.411 175.977 176.300 0.146 0.000 1.145 81 D CA 1.670 55.758 54.000 0.147 0.000 0.958 81 D CB -1.204 39.657 40.800 0.102 0.000 1.117 81 D HN 0.722 nan 8.370 nan 0.000 0.416 82 T N -1.929 112.754 114.554 0.214 0.000 2.899 82 T HA 0.571 4.936 4.350 0.025 0.000 0.295 82 T C 0.589 175.456 174.700 0.279 0.000 1.033 82 T CA -0.002 62.254 62.100 0.261 0.000 1.084 82 T CB 2.027 71.094 68.868 0.331 0.000 0.979 82 T HN 0.204 nan 8.240 nan 0.000 0.532 83 T N -0.372 114.319 114.554 0.229 0.000 2.906 83 T HA 0.753 5.118 4.350 0.025 0.000 0.295 83 T C -1.341 173.489 174.700 0.216 0.000 1.061 83 T CA -1.139 60.979 62.100 0.030 0.000 1.000 83 T CB 1.398 70.209 68.868 -0.096 0.000 1.103 83 T HN 1.106 nan 8.240 nan 0.000 0.486 84 W N 0.632 121.960 121.300 0.046 0.000 3.146 84 W HA 0.677 5.349 4.660 0.021 0.000 0.319 84 W C -0.551 175.986 176.519 0.031 0.000 1.258 84 W CA -0.961 56.408 57.345 0.041 0.000 1.189 84 W CB 0.391 29.898 29.460 0.079 0.000 1.412 84 W HN 0.441 nan 8.180 nan 0.000 0.567 85 D N 0.786 121.339 120.400 0.254 0.000 2.162 85 D HA 0.026 4.681 4.640 0.025 0.000 0.205 85 D C 0.047 176.575 176.300 0.379 0.000 0.964 85 D CA 1.290 55.411 54.000 0.200 0.000 0.847 85 D CB 0.418 41.286 40.800 0.113 0.000 0.988 85 D HN 0.099 nan 8.370 nan 0.000 0.480 86 V N 1.250 121.389 119.914 0.376 0.000 2.525 86 V HA 0.250 4.385 4.120 0.025 0.000 0.299 86 V C -0.782 175.326 176.094 0.024 0.000 1.034 86 V CA -0.999 61.447 62.300 0.243 0.000 0.863 86 V CB 2.143 34.023 31.823 0.094 0.000 0.999 86 V HN -0.075 nan 8.190 nan 0.000 0.423 87 F N 5.386 125.051 119.950 -0.475 0.000 2.410 87 F HA 0.643 5.186 4.527 0.027 0.000 0.348 87 F C 0.028 175.604 175.800 -0.374 0.000 1.106 87 F CA -0.281 57.254 58.000 -0.775 0.000 1.163 87 F CB 0.912 39.057 39.000 -1.425 0.000 1.129 87 F HN 0.372 nan 8.300 nan 0.000 0.516 88 I N 5.939 126.188 120.570 -0.535 0.000 2.328 88 I HA 0.185 4.370 4.170 0.025 0.000 0.287 88 I C -0.452 175.565 176.117 -0.167 0.000 1.012 88 I CA -0.278 60.870 61.300 -0.253 0.000 1.195 88 I CB 1.010 38.864 38.000 -0.243 0.000 1.350 88 I HN 0.543 nan 8.210 nan 0.000 0.464 89 E N 6.302 126.523 120.200 0.035 0.000 2.283 89 E HA 0.378 4.743 4.350 0.025 0.000 0.278 89 E C -0.464 176.138 176.600 0.003 0.000 1.027 89 E CA -0.860 55.583 56.400 0.072 0.000 0.843 89 E CB 1.204 30.963 29.700 0.098 0.000 1.062 89 E HN 0.298 nan 8.360 nan 0.000 0.401 90 R N 2.533 123.032 120.500 -0.002 0.000 2.598 90 R HA 0.238 4.593 4.340 0.025 0.000 0.279 90 R C -1.837 174.459 176.300 -0.007 0.000 0.984 90 R CA -2.570 53.520 56.100 -0.017 0.000 0.999 90 R CB 0.034 30.319 30.300 -0.026 0.000 1.114 90 R HN 0.354 nan 8.270 nan 0.000 0.493 91 P HA -0.015 nan 4.420 nan 0.000 0.237 91 P C 0.804 178.096 177.300 -0.013 0.000 1.178 91 P CA 0.817 63.908 63.100 -0.015 0.000 0.766 91 P CB 0.228 31.917 31.700 -0.018 0.000 0.876 92 T N -3.920 110.627 114.554 -0.010 0.000 3.107 92 T HA 0.399 4.764 4.350 0.025 0.000 0.249 92 T C 0.889 175.589 174.700 -0.001 0.000 1.096 92 T CA -0.255 61.840 62.100 -0.008 0.000 1.012 92 T CB -0.634 68.228 68.868 -0.010 0.000 0.977 92 T HN 0.039 nan 8.240 nan 0.000 0.527 93 A N 1.813 124.636 122.820 0.006 0.000 2.540 93 A HA 0.551 4.886 4.320 0.025 0.000 0.239 93 A C 0.451 178.046 177.584 0.018 0.000 1.061 93 A CA -0.209 51.841 52.037 0.021 0.000 0.758 93 A CB -0.136 18.887 19.000 0.039 0.000 0.991 93 A HN 1.084 nan 8.150 nan 0.000 0.502 94 V N -0.007 119.924 119.914 0.028 0.000 2.914 94 V HA 0.586 4.721 4.120 0.025 0.000 0.314 94 V C -0.701 175.422 176.094 0.048 0.000 1.084 94 V CA -1.322 60.992 62.300 0.023 0.000 0.963 94 V CB 1.920 33.751 31.823 0.014 0.000 1.025 94 V HN 0.745 nan 8.190 nan 0.000 0.432 95 D N 2.437 122.861 120.400 0.040 0.000 2.345 95 D HA 0.457 5.112 4.640 0.025 0.000 0.247 95 D C 1.001 177.341 176.300 0.067 0.000 1.108 95 D CA 0.701 54.750 54.000 0.080 0.000 0.894 95 D CB 1.871 42.696 40.800 0.042 0.000 1.203 95 D HN 1.050 nan 8.370 nan 0.000 0.430 96 T N -2.811 111.796 114.554 0.087 0.000 3.130 96 T HA 0.192 4.557 4.350 0.025 0.000 0.288 96 T C 0.485 175.194 174.700 0.015 0.000 0.936 96 T CA -0.310 61.815 62.100 0.042 0.000 0.897 96 T CB -0.348 68.538 68.868 0.029 0.000 1.178 96 T HN 0.393 nan 8.240 nan 0.000 0.543 97 c N 0.544 119.162 118.600 0.031 0.000 2.967 97 c HA 0.731 5.316 4.570 0.025 0.000 0.372 97 c C -0.393 173.747 174.090 0.083 0.000 1.455 97 c CA -1.462 54.811 56.329 -0.093 0.000 1.638 97 c CB 0.847 43.019 42.510 -0.564 0.000 2.096 97 c HN 0.576 nan 8.230 nan 0.000 0.466 98 Y N 3.734 124.015 120.300 -0.031 0.000 2.895 98 Y HA 0.113 4.677 4.550 0.024 0.000 0.334 98 Y C -1.574 174.547 175.900 0.368 0.000 1.261 98 Y CA -0.094 58.131 58.100 0.209 0.000 1.560 98 Y CB 0.401 39.054 38.460 0.321 0.000 1.253 98 Y HN 0.447 nan 8.280 nan 0.000 0.582 99 P HA 0.026 nan 4.420 nan 0.000 0.267 99 P C -1.183 176.342 177.300 0.376 0.000 1.205 99 P CA 0.530 63.697 63.100 0.112 0.000 0.765 99 P CB 0.115 31.763 31.700 -0.086 0.000 0.828 100 F N 0.637 120.712 119.950 0.208 0.000 2.629 100 F HA 0.744 5.285 4.527 0.023 0.000 0.316 100 F C -1.088 174.770 175.800 0.096 0.000 1.081 100 F CA -1.405 56.707 58.000 0.187 0.000 0.954 100 F CB 1.586 40.683 39.000 0.162 0.000 1.337 100 F HN 0.247 nan 8.300 nan 0.000 0.474 101 D N -0.440 120.064 120.400 0.174 0.000 2.601 101 D HA 0.611 5.266 4.640 0.025 0.000 0.230 101 D C -1.783 174.609 176.300 0.154 0.000 1.106 101 D CA -0.877 53.152 54.000 0.048 0.000 0.873 101 D CB 2.359 43.152 40.800 -0.011 0.000 1.515 101 D HN 0.524 nan 8.370 nan 0.000 0.468 102 V N 1.386 121.395 119.914 0.159 0.000 2.349 102 V HA 0.446 4.581 4.120 0.025 0.000 0.284 102 V C -2.346 173.784 176.094 0.060 0.000 1.014 102 V CA -1.593 60.773 62.300 0.110 0.000 0.826 102 V CB 1.158 33.124 31.823 0.239 0.000 1.009 102 V HN 0.570 nan 8.190 nan 0.000 0.431 103 P HA 0.107 nan 4.420 nan 0.000 0.264 103 P C 0.261 177.608 177.300 0.080 0.000 1.193 103 P CA 0.433 63.501 63.100 -0.053 0.000 0.763 103 P CB 0.234 31.827 31.700 -0.179 0.000 0.810 104 D N 1.811 122.284 120.400 0.123 0.000 2.686 104 D HA -0.273 4.382 4.640 0.025 0.000 0.235 104 D C 0.526 176.976 176.300 0.251 0.000 1.160 104 D CA 0.535 54.656 54.000 0.200 0.000 0.645 104 D CB -1.358 39.586 40.800 0.240 0.000 1.039 104 D HN 0.484 nan 8.370 nan 0.000 0.423 105 Y N 0.502 120.837 120.300 0.059 0.000 2.102 105 Y HA -0.376 4.185 4.550 0.018 0.000 0.280 105 Y C 2.136 178.008 175.900 -0.046 0.000 1.178 105 Y CA 2.633 60.736 58.100 0.004 0.000 1.146 105 Y CB -0.095 38.354 38.460 -0.019 0.000 0.968 105 Y HN 0.256 nan 8.280 nan 0.000 0.504 106 Q N -0.414 119.516 119.800 0.217 0.000 2.135 106 Q HA -0.167 4.188 4.340 0.025 0.000 0.204 106 Q C 2.463 178.441 176.000 -0.037 0.000 0.981 106 Q CA 2.001 57.870 55.803 0.109 0.000 0.856 106 Q CB -0.351 28.454 28.738 0.111 0.000 0.902 106 Q HN 0.347 nan 8.270 nan 0.000 0.425 107 S N 0.114 115.801 115.700 -0.021 0.000 2.395 107 S HA -0.037 4.448 4.470 0.025 0.000 0.225 107 S C 1.634 175.996 174.600 -0.395 0.000 1.027 107 S CA 0.530 58.690 58.200 -0.068 0.000 0.965 107 S CB -0.175 63.126 63.200 0.169 0.000 0.812 107 S HN 0.262 nan 8.310 nan 0.000 0.482 108 L N 2.247 123.040 121.223 -0.716 0.000 2.056 108 L HA 0.065 4.420 4.340 0.025 0.000 0.207 108 L C 2.262 178.746 176.870 -0.643 0.000 1.078 108 L CA 1.682 55.884 54.840 -1.063 0.000 0.749 108 L CB -0.510 40.909 42.059 -1.067 0.000 0.901 108 L HN 0.120 nan 8.230 nan 0.000 0.433 109 R N -1.216 118.967 120.500 -0.529 0.000 2.081 109 R HA -0.170 4.185 4.340 0.025 0.000 0.235 109 R C 2.505 178.644 176.300 -0.268 0.000 1.131 109 R CA 1.546 57.403 56.100 -0.405 0.000 0.960 109 R CB -0.351 29.761 30.300 -0.314 0.000 0.856 109 R HN 0.529 nan 8.270 nan 0.000 0.436 110 S N 0.048 115.620 115.700 -0.213 0.000 2.387 110 S HA -0.057 4.428 4.470 0.025 0.000 0.226 110 S C 1.929 176.448 174.600 -0.134 0.000 1.026 110 S CA 0.884 59.008 58.200 -0.128 0.000 0.972 110 S CB -0.099 63.055 63.200 -0.076 0.000 0.814 110 S HN 0.340 nan 8.310 nan 0.000 0.477 111 I N 1.103 121.544 120.570 -0.216 0.000 2.252 111 I HA -0.139 4.046 4.170 0.025 0.000 0.245 111 I C 2.219 178.226 176.117 -0.185 0.000 1.102 111 I CA 0.915 62.096 61.300 -0.199 0.000 1.385 111 I CB -0.294 37.528 38.000 -0.297 0.000 1.064 111 I HN 0.305 nan 8.210 nan 0.000 0.414 112 L N 0.496 121.570 121.223 -0.249 0.000 1.976 112 L HA -0.229 4.126 4.340 0.025 0.000 0.209 112 L C 2.898 179.766 176.870 -0.003 0.000 1.071 112 L CA 1.571 56.295 54.840 -0.194 0.000 0.746 112 L CB -0.884 40.996 42.059 -0.298 0.000 0.890 112 L HN 0.230 nan 8.230 nan 0.000 0.432 113 A N -0.775 122.043 122.820 -0.003 0.000 1.927 113 A HA -0.307 4.028 4.320 0.025 0.000 0.220 113 A C 2.547 180.276 177.584 0.240 0.000 1.185 113 A CA 2.486 54.632 52.037 0.183 0.000 0.639 113 A CB -0.871 18.155 19.000 0.044 0.000 0.820 113 A HN 0.429 nan 8.150 nan 0.000 0.451 114 S N -0.285 115.450 115.700 0.059 0.000 2.406 114 S HA -0.120 4.365 4.470 0.025 0.000 0.228 114 S C 2.244 176.807 174.600 -0.060 0.000 1.020 114 S CA 1.709 59.918 58.200 0.014 0.000 0.965 114 S CB -0.555 62.639 63.200 -0.010 0.000 0.798 114 S HN 0.913 nan 8.310 nan 0.000 0.488 115 S N 0.326 115.964 115.700 -0.103 0.000 2.423 115 S HA 0.168 4.653 4.470 0.025 0.000 0.231 115 S C 1.717 176.092 174.600 -0.375 0.000 1.014 115 S CA 1.283 59.374 58.200 -0.182 0.000 0.965 115 S CB -1.108 61.997 63.200 -0.159 0.000 0.785 115 S HN 1.460 nan 8.310 nan 0.000 0.495 116 G N 0.083 108.531 108.800 -0.586 0.000 2.160 116 G HA2 -0.203 3.772 3.960 0.025 0.000 0.251 116 G HA3 -0.203 3.772 3.960 0.025 0.000 0.251 116 G C -0.010 173.757 174.900 -1.888 0.000 1.008 116 G CA 0.456 44.673 45.100 -1.472 0.000 0.724 116 G HN 1.342 nan 8.290 nan 0.000 0.514 117 S N -1.353 113.539 115.700 -1.347 0.000 2.543 117 S HA 0.669 5.154 4.470 0.025 0.000 0.271 117 S C 0.074 174.550 174.600 -0.208 0.000 1.148 117 S CA -0.684 57.114 58.200 -0.670 0.000 0.914 117 S CB 1.313 64.311 63.200 -0.336 0.000 1.096 117 S HN 0.593 nan 8.310 nan 0.000 0.471 118 L N 3.645 124.938 121.223 0.117 0.000 3.110 118 L HA 0.342 4.697 4.340 0.025 0.000 0.266 118 L C 0.240 177.344 176.870 0.390 0.000 1.257 118 L CA -0.123 54.868 54.840 0.252 0.000 1.038 118 L CB 0.275 42.543 42.059 0.348 0.000 1.395 118 L HN 0.738 nan 8.230 nan 0.000 0.566 119 E N 0.355 120.720 120.200 0.275 0.000 1.941 119 E HA 0.050 4.415 4.350 0.025 0.000 0.275 119 E C -0.500 176.248 176.600 0.246 0.000 1.113 119 E CA -0.615 55.915 56.400 0.217 0.000 0.878 119 E CB 0.468 30.212 29.700 0.074 0.000 1.070 119 E HN 0.013 nan 8.360 nan 0.000 0.399 120 F N 3.592 123.561 119.950 0.031 0.000 2.538 120 F HA 0.189 4.730 4.527 0.024 0.000 0.371 120 F C -0.217 175.420 175.800 -0.271 0.000 1.087 120 F CA -0.750 57.064 58.000 -0.309 0.000 1.250 120 F CB 0.467 39.277 39.000 -0.318 0.000 1.110 120 F HN 0.409 nan 8.300 nan 0.000 0.570 121 I N 6.524 126.512 120.570 -0.970 0.000 2.291 121 I HA 0.299 4.484 4.170 0.025 0.000 0.290 121 I C 0.216 175.707 176.117 -1.043 0.000 1.050 121 I CA -0.054 60.733 61.300 -0.856 0.000 1.245 121 I CB 0.516 37.989 38.000 -0.878 0.000 1.405 121 I HN 0.708 nan 8.210 nan 0.000 0.478 122 A N 6.477 128.973 122.820 -0.540 0.000 2.440 122 A HA 0.489 4.824 4.320 0.025 0.000 0.251 122 A C 0.045 177.524 177.584 -0.174 0.000 1.089 122 A CA -0.171 51.703 52.037 -0.272 0.000 0.779 122 A CB 0.220 19.230 19.000 0.018 0.000 1.022 122 A HN 0.711 nan 8.150 nan 0.000 0.492 123 E N 0.768 120.937 120.200 -0.052 0.000 2.256 123 E HA 0.308 4.673 4.350 0.025 0.000 0.267 123 E C -0.835 175.705 176.600 -0.099 0.000 0.892 123 E CA -0.714 55.614 56.400 -0.120 0.000 0.775 123 E CB 1.897 31.466 29.700 -0.219 0.000 1.207 123 E HN 0.763 nan 8.360 nan 0.000 0.420 124 Q N 2.273 121.941 119.800 -0.219 0.000 2.279 124 Q HA 0.302 4.657 4.340 0.025 0.000 0.256 124 Q C -1.465 174.278 176.000 -0.428 0.000 0.937 124 Q CA -0.096 55.605 55.803 -0.170 0.000 0.933 124 Q CB 0.475 29.139 28.738 -0.123 0.000 1.189 124 Q HN 0.337 nan 8.270 nan 0.000 0.417 125 F N 0.781 120.620 119.950 -0.185 0.000 2.546 125 F HA 0.330 4.872 4.527 0.025 0.000 0.320 125 F C 0.225 175.666 175.800 -0.599 0.000 1.076 125 F CA -0.820 56.859 58.000 -0.534 0.000 0.928 125 F CB 2.261 40.686 39.000 -0.959 0.000 1.189 125 F HN 0.429 nan 8.300 nan 0.000 0.465 126 T N -1.309 112.976 114.554 -0.448 0.000 2.929 126 T HA 0.312 4.677 4.350 0.025 0.000 0.331 126 T C -1.163 173.338 174.700 -0.333 0.000 1.120 126 T CA -0.572 61.347 62.100 -0.302 0.000 0.973 126 T CB -0.414 68.362 68.868 -0.154 0.000 1.036 126 T HN 0.452 nan 8.240 nan 0.000 0.502 127 W N 2.906 124.234 121.300 0.048 0.000 2.422 127 W HA 0.382 5.057 4.660 0.024 0.000 0.349 127 W C 0.285 176.780 176.519 -0.040 0.000 1.062 127 W CA -1.069 56.268 57.345 -0.013 0.000 1.497 127 W CB 0.109 29.543 29.460 -0.043 0.000 1.407 127 W HN 0.429 nan 8.180 nan 0.000 0.393 128 N N 2.131 120.903 118.700 0.120 0.000 2.430 128 N HA 0.280 5.035 4.740 0.025 0.000 0.265 128 N C 0.800 176.320 175.510 0.017 0.000 1.100 128 N CA 0.704 53.784 53.050 0.050 0.000 0.961 128 N CB 1.485 39.986 38.487 0.023 0.000 1.075 128 N HN 0.743 nan 8.380 nan 0.000 0.478 129 G N 0.444 109.243 108.800 -0.002 0.000 2.141 129 G HA2 -0.172 3.803 3.960 0.025 0.000 0.195 129 G HA3 -0.172 3.803 3.960 0.025 0.000 0.195 129 G C -0.295 174.545 174.900 -0.100 0.000 1.012 129 G CA 0.244 45.322 45.100 -0.036 0.000 0.696 129 G HN 0.683 nan 8.290 nan 0.000 0.508 130 V N -4.281 115.581 119.914 -0.087 0.000 3.147 130 V HA 0.762 4.897 4.120 0.025 0.000 0.306 130 V C 0.243 176.314 176.094 -0.038 0.000 1.209 130 V CA -1.915 60.309 62.300 -0.127 0.000 1.023 130 V CB 1.736 33.383 31.823 -0.292 0.000 1.059 130 V HN 0.242 nan 8.190 nan 0.000 0.435 131 K N 1.039 121.421 120.400 -0.030 0.000 2.258 131 K HA 0.616 4.951 4.320 0.025 0.000 0.264 131 K C -0.276 176.312 176.600 -0.020 0.000 1.007 131 K CA -0.016 56.255 56.287 -0.027 0.000 0.941 131 K CB 1.618 34.084 32.500 -0.058 0.000 0.966 131 K HN 0.971 nan 8.250 nan 0.000 0.480 132 V N -1.731 118.180 119.914 -0.004 0.000 3.113 132 V HA 0.387 4.522 4.120 0.025 0.000 0.316 132 V C -0.664 175.431 176.094 0.001 0.000 1.125 132 V CA -0.888 61.423 62.300 0.017 0.000 1.026 132 V CB 1.778 33.661 31.823 0.100 0.000 1.080 132 V HN 0.854 nan 8.190 nan 0.000 0.444 133 D N 0.415 120.832 120.400 0.028 0.000 2.746 133 D HA -0.105 4.550 4.640 0.025 0.000 0.236 133 D C 0.625 176.887 176.300 -0.064 0.000 1.129 133 D CA 1.449 55.468 54.000 0.033 0.000 0.691 133 D CB -1.376 39.453 40.800 0.047 0.000 1.077 133 D HN 1.405 nan 8.370 nan 0.000 0.432 134 G N -0.233 108.472 108.800 -0.160 0.000 2.664 134 G HA2 0.449 4.424 3.960 0.025 0.000 0.242 134 G HA3 0.449 4.424 3.960 0.025 0.000 0.242 134 G C 0.461 175.157 174.900 -0.340 0.000 1.225 134 G CA 0.571 45.431 45.100 -0.401 0.000 0.849 134 G HN 0.578 nan 8.290 nan 0.000 0.581 135 S N -1.657 113.830 115.700 -0.355 0.000 2.671 135 S HA 0.814 5.299 4.470 0.025 0.000 0.277 135 S C -0.722 173.819 174.600 -0.097 0.000 1.165 135 S CA -0.617 57.518 58.200 -0.110 0.000 0.822 135 S CB 2.111 65.294 63.200 -0.029 0.000 1.150 135 S HN 1.019 nan 8.310 nan 0.000 0.479 136 S N -0.311 115.450 115.700 0.102 0.000 2.537 136 S HA 0.543 5.028 4.470 0.025 0.000 0.270 136 S C 0.576 175.262 174.600 0.143 0.000 1.142 136 S CA -0.045 58.253 58.200 0.162 0.000 0.870 136 S CB 1.657 65.124 63.200 0.445 0.000 1.112 136 S HN 1.225 nan 8.310 nan 0.000 0.466 137 S N 2.109 117.876 115.700 0.111 0.000 2.561 137 S HA 0.085 4.570 4.470 0.025 0.000 0.225 137 S C 1.461 176.115 174.600 0.090 0.000 0.977 137 S CA 0.589 58.836 58.200 0.079 0.000 0.926 137 S CB -0.182 63.049 63.200 0.052 0.000 0.769 137 S HN 0.850 nan 8.310 nan 0.000 0.533 138 A N -0.244 122.661 122.820 0.142 0.000 2.208 138 A HA 0.332 4.667 4.320 0.025 0.000 0.209 138 A C 0.987 178.632 177.584 0.101 0.000 1.161 138 A CA 0.241 52.342 52.037 0.108 0.000 0.782 138 A CB -0.610 18.442 19.000 0.087 0.000 0.816 138 A HN 0.628 nan 8.150 nan 0.000 0.477 139 c N 1.122 119.792 118.600 0.117 0.000 2.801 139 c HA 0.639 5.224 4.570 0.025 0.000 0.296 139 c C -0.757 173.360 174.090 0.046 0.000 1.054 139 c CA -0.972 55.385 56.329 0.047 0.000 1.442 139 c CB -1.230 41.288 42.510 0.013 0.000 1.860 139 c HN 0.400 nan 8.230 nan 0.000 0.459 140 L N 4.923 126.163 121.223 0.028 0.000 2.295 140 L HA 0.636 4.991 4.340 0.025 0.000 0.285 140 L C 0.279 177.160 176.870 0.017 0.000 1.035 140 L CA -0.346 54.511 54.840 0.028 0.000 0.806 140 L CB 1.125 43.198 42.059 0.024 0.000 1.214 140 L HN 0.502 nan 8.230 nan 0.000 0.426 141 R N 1.618 122.131 120.500 0.022 0.000 2.360 141 R HA 0.431 4.786 4.340 0.025 0.000 0.318 141 R C 0.541 176.852 176.300 0.019 0.000 0.950 141 R CA -0.032 56.079 56.100 0.019 0.000 0.837 141 R CB 1.593 31.907 30.300 0.022 0.000 1.165 141 R HN 0.871 nan 8.270 nan 0.000 0.458 142 G N 2.364 111.174 108.800 0.016 0.000 2.283 142 G HA2 -0.283 3.692 3.960 0.025 0.000 0.280 142 G HA3 -0.283 3.692 3.960 0.025 0.000 0.280 142 G C 0.799 175.707 174.900 0.014 0.000 1.029 142 G CA 0.700 45.809 45.100 0.015 0.000 0.840 142 G HN 1.254 nan 8.290 nan 0.000 0.505 143 G N -1.741 107.068 108.800 0.015 0.000 2.225 143 G HA2 -0.248 3.727 3.960 0.025 0.000 0.254 143 G HA3 -0.248 3.727 3.960 0.025 0.000 0.254 143 G C 0.488 175.398 174.900 0.015 0.000 0.988 143 G CA 0.987 46.095 45.100 0.014 0.000 0.625 143 G HN 1.235 nan 8.290 nan 0.000 0.527 144 R N 0.319 120.830 120.500 0.018 0.000 2.668 144 R HA 0.539 4.894 4.340 0.025 0.000 0.279 144 R C -0.392 175.923 176.300 0.026 0.000 0.976 144 R CA -1.036 55.075 56.100 0.018 0.000 0.978 144 R CB 0.501 30.811 30.300 0.017 0.000 1.133 144 R HN 0.120 nan 8.270 nan 0.000 0.484 145 N N 0.570 119.285 118.700 0.025 0.000 2.407 145 N HA 0.051 4.806 4.740 0.025 0.000 0.250 145 N C -0.324 175.219 175.510 0.056 0.000 1.236 145 N CA 0.395 53.469 53.050 0.039 0.000 0.879 145 N CB 0.928 39.427 38.487 0.021 0.000 1.088 145 N HN 0.561 nan 8.380 nan 0.000 0.450 146 S N 0.091 115.847 115.700 0.093 0.000 2.724 146 S HA 0.750 5.236 4.470 0.025 0.000 0.278 146 S C -2.039 172.702 174.600 0.235 0.000 1.190 146 S CA -0.683 57.590 58.200 0.123 0.000 0.860 146 S CB 0.406 63.649 63.200 0.072 0.000 1.206 146 S HN 0.326 nan 8.310 nan 0.000 0.507 147 F N 0.405 120.341 119.950 -0.022 0.000 2.711 147 F HA 0.643 5.186 4.527 0.026 0.000 0.313 147 F C -1.607 174.140 175.800 -0.089 0.000 1.141 147 F CA -1.534 56.427 58.000 -0.064 0.000 0.941 147 F CB 0.765 39.821 39.000 0.093 0.000 1.349 147 F HN 0.628 nan 8.300 nan 0.000 0.464 148 F N 2.352 121.793 119.950 -0.848 0.000 2.580 148 F HA 0.064 4.607 4.527 0.027 0.000 0.398 148 F C 1.804 177.466 175.800 -0.231 0.000 1.023 148 F CA 0.922 58.606 58.000 -0.526 0.000 1.188 148 F CB 0.049 38.631 39.000 -0.698 0.000 1.005 148 F HN 0.483 nan 8.300 nan 0.000 0.546 149 S N 2.739 118.442 115.700 0.006 0.000 2.440 149 S HA -0.183 4.302 4.470 0.025 0.000 0.238 149 S C 1.709 176.275 174.600 -0.055 0.000 1.010 149 S CA 0.799 59.004 58.200 0.007 0.000 0.972 149 S CB -0.082 63.110 63.200 -0.014 0.000 0.774 149 S HN 0.621 nan 8.310 nan 0.000 0.501 150 R N 0.435 120.844 120.500 -0.152 0.000 2.362 150 R HA 0.491 4.846 4.340 0.025 0.000 0.227 150 R C 0.077 176.332 176.300 -0.076 0.000 0.905 150 R CA -0.007 55.892 56.100 -0.334 0.000 1.067 150 R CB -0.517 29.382 30.300 -0.669 0.000 1.078 150 R HN 0.438 nan 8.270 nan 0.000 0.516 151 L N 0.760 122.004 121.223 0.034 0.000 2.330 151 L HA 0.432 4.787 4.340 0.025 0.000 0.271 151 L C -0.088 176.987 176.870 0.342 0.000 1.013 151 L CA -0.965 53.959 54.840 0.140 0.000 0.816 151 L CB 1.529 43.618 42.059 0.050 0.000 1.287 151 L HN -0.167 nan 8.230 nan 0.000 0.435 152 N N 1.190 120.029 118.700 0.232 0.000 2.518 152 N HA 0.123 4.878 4.740 0.025 0.000 0.254 152 N C -1.379 174.176 175.510 0.075 0.000 0.979 152 N CA -0.474 52.668 53.050 0.153 0.000 0.930 152 N CB 1.102 39.591 38.487 0.004 0.000 1.152 152 N HN 0.433 nan 8.380 nan 0.000 0.505 153 W N 6.969 128.152 121.300 -0.195 0.000 2.585 153 W HA 0.272 4.949 4.660 0.028 0.000 0.337 153 W C -0.679 175.695 176.519 -0.241 0.000 1.226 153 W CA -0.758 56.355 57.345 -0.386 0.000 1.463 153 W CB -0.276 28.637 29.460 -0.911 0.000 1.458 153 W HN 0.388 nan 8.180 nan 0.000 0.458 154 L N 6.733 128.132 121.223 0.293 0.000 2.349 154 L HA 0.418 4.773 4.340 0.025 0.000 0.275 154 L C 1.025 178.137 176.870 0.404 0.000 1.115 154 L CA -0.163 54.783 54.840 0.177 0.000 0.820 154 L CB 0.796 42.844 42.059 -0.019 0.000 1.135 154 L HN 0.293 nan 8.230 nan 0.000 0.445 155 T N -1.164 113.503 114.554 0.188 0.000 2.864 155 T HA 0.401 4.767 4.350 0.025 0.000 0.289 155 T C -0.556 174.267 174.700 0.204 0.000 1.082 155 T CA -1.253 60.970 62.100 0.206 0.000 1.009 155 T CB 1.646 70.428 68.868 -0.144 0.000 1.234 155 T HN 0.597 nan 8.240 nan 0.000 0.526 156 K N 0.602 121.144 120.400 0.237 0.000 2.414 156 K HA 0.502 4.837 4.320 0.025 0.000 0.272 156 K C 0.343 176.972 176.600 0.049 0.000 0.993 156 K CA -0.576 55.831 56.287 0.200 0.000 0.964 156 K CB 0.096 32.702 32.500 0.175 0.000 0.925 156 K HN 0.803 nan 8.250 nan 0.000 0.487 157 A N 2.756 125.593 122.820 0.029 0.000 2.511 157 A HA 0.102 4.438 4.320 0.025 0.000 0.242 157 A C -0.208 177.375 177.584 -0.001 0.000 1.069 157 A CA -0.137 51.901 52.037 0.002 0.000 0.763 157 A CB -0.082 18.920 19.000 0.002 0.000 1.001 157 A HN 0.723 nan 8.150 nan 0.000 0.498 158 T N 4.996 119.542 114.554 -0.014 0.000 2.727 158 T HA 0.429 4.794 4.350 0.025 0.000 0.298 158 T C -0.041 174.651 174.700 -0.013 0.000 0.942 158 T CA 0.010 62.098 62.100 -0.020 0.000 0.997 158 T CB -0.487 68.361 68.868 -0.033 0.000 0.917 158 T HN 0.847 nan 8.240 nan 0.000 0.487 162 N N -0.635 118.102 118.700 0.060 0.000 2.415 162 N HA 0.121 4.876 4.740 0.025 0.000 0.248 162 N C -0.828 174.766 175.510 0.140 0.000 1.271 162 N CA 0.064 53.172 53.050 0.098 0.000 0.913 162 N CB 0.742 39.276 38.487 0.079 0.000 1.129 162 N HN 0.456 nan 8.380 nan 0.000 0.444 163 Y N 0.627 120.963 120.300 0.060 0.000 2.736 163 Y HA 0.252 4.817 4.550 0.025 0.000 0.339 163 Y C 1.025 176.967 175.900 0.070 0.000 1.301 163 Y CA -0.671 57.477 58.100 0.081 0.000 1.676 163 Y CB -0.508 38.024 38.460 0.120 0.000 1.725 163 Y HN 0.558 nan 8.280 nan 0.000 0.466 164 G N 6.329 115.128 108.800 -0.001 0.000 2.138 164 G HA2 -0.011 3.964 3.960 0.025 0.000 0.244 164 G HA3 -0.011 3.964 3.960 0.025 0.000 0.244 164 G C -2.453 172.448 174.900 0.001 0.000 1.166 164 G CA -0.967 44.138 45.100 0.008 0.000 0.902 164 G HN 0.503 nan 8.290 nan 0.000 0.460 165 P HA 0.084 nan 4.420 nan 0.000 0.266 165 P C -0.061 177.283 177.300 0.074 0.000 1.195 165 P CA 0.176 63.337 63.100 0.100 0.000 0.768 165 P CB 0.952 32.702 31.700 0.083 0.000 0.838 166 I N 3.098 123.733 120.570 0.108 0.000 2.359 166 I HA 0.279 4.464 4.170 0.025 0.000 0.294 166 I C 0.601 176.800 176.117 0.137 0.000 0.987 166 I CA -0.060 61.324 61.300 0.139 0.000 1.225 166 I CB 0.840 38.949 38.000 0.181 0.000 1.366 166 I HN 0.325 nan 8.210 nan 0.000 0.466 167 N N 5.277 124.056 118.700 0.132 0.000 2.827 167 N HA 0.334 5.089 4.740 0.025 0.000 0.240 167 N C -1.766 173.797 175.510 0.088 0.000 1.352 167 N CA -0.181 52.925 53.050 0.093 0.000 0.760 167 N CB 1.007 39.522 38.487 0.046 0.000 1.426 167 N HN 0.205 nan 8.380 nan 0.000 0.561 168 V N 1.044 121.046 119.914 0.146 0.000 2.581 168 V HA 0.723 4.858 4.120 0.025 0.000 0.303 168 V C 0.066 176.245 176.094 0.143 0.000 1.041 168 V CA -0.516 61.841 62.300 0.095 0.000 0.907 168 V CB 1.851 33.679 31.823 0.009 0.000 0.994 168 V HN 0.539 nan 8.190 nan 0.000 0.442 169 T N 4.252 118.851 114.554 0.075 0.000 2.912 169 T HA 0.576 4.941 4.350 0.025 0.000 0.299 169 T C -1.195 173.532 174.700 0.046 0.000 1.052 169 T CA -0.754 61.377 62.100 0.052 0.000 0.996 169 T CB 1.429 70.289 68.868 -0.012 0.000 1.070 169 T HN 0.498 nan 8.240 nan 0.000 0.465 170 K N 3.190 123.619 120.400 0.049 0.000 2.345 170 K HA 0.380 4.715 4.320 0.025 0.000 0.255 170 K C -0.694 175.901 176.600 -0.008 0.000 0.934 170 K CA -0.651 55.651 56.287 0.025 0.000 0.801 170 K CB 2.181 34.747 32.500 0.110 0.000 1.137 170 K HN 0.784 nan 8.250 nan 0.000 0.424 171 E N 2.482 122.668 120.200 -0.024 0.000 2.156 171 E HA 0.085 4.451 4.350 0.025 0.000 0.279 171 E C -0.527 176.047 176.600 -0.042 0.000 0.965 171 E CA -0.545 55.833 56.400 -0.036 0.000 0.789 171 E CB 0.779 30.454 29.700 -0.043 0.000 1.098 171 E HN 0.279 nan 8.360 nan 0.000 0.397 172 N N 3.451 122.119 118.700 -0.055 0.000 2.406 172 N HA 0.009 4.764 4.740 0.025 0.000 0.269 172 N C -0.154 175.286 175.510 -0.117 0.000 1.210 172 N CA 0.288 53.272 53.050 -0.110 0.000 0.966 172 N CB 0.631 39.043 38.487 -0.125 0.000 1.293 172 N HN 0.396 nan 8.380 nan 0.000 0.491 173 T N 0.233 114.718 114.554 -0.114 0.000 3.065 173 T HA 0.167 4.532 4.350 0.025 0.000 0.252 173 T C 1.044 175.680 174.700 -0.107 0.000 1.099 173 T CA 0.126 62.173 62.100 -0.089 0.000 1.063 173 T CB 0.195 69.025 68.868 -0.063 0.000 0.948 173 T HN 0.465 nan 8.240 nan 0.000 0.506 174 G N 1.263 109.951 108.800 -0.187 0.000 2.531 174 G HA2 0.395 4.370 3.960 0.025 0.000 0.281 174 G HA3 0.395 4.370 3.960 0.025 0.000 0.281 174 G C 0.763 175.546 174.900 -0.196 0.000 1.382 174 G CA -0.057 44.919 45.100 -0.206 0.000 1.045 174 G HN 0.281 nan 8.290 nan 0.000 0.533 175 S N -1.724 113.901 115.700 -0.125 0.000 2.539 175 S HA 0.270 4.755 4.470 0.025 0.000 0.221 175 S C 0.080 174.698 174.600 0.029 0.000 0.987 175 S CA -0.298 57.889 58.200 -0.023 0.000 0.929 175 S CB -0.317 62.913 63.200 0.050 0.000 0.832 175 S HN 0.695 nan 8.310 nan 0.000 0.492 176 Y N -0.673 119.631 120.300 0.006 0.000 2.587 176 Y HA 0.834 5.398 4.550 0.024 0.000 0.337 176 Y C -0.618 175.285 175.900 0.006 0.000 1.065 176 Y CA -1.987 56.119 58.100 0.010 0.000 1.126 176 Y CB 0.626 39.097 38.460 0.018 0.000 1.279 176 Y HN -0.160 nan 8.280 nan 0.000 0.489 177 V N 3.670 123.711 119.914 0.213 0.000 2.488 177 V HA 0.331 4.466 4.120 0.025 0.000 0.277 177 V C 0.141 176.369 176.094 0.224 0.000 1.046 177 V CA -0.668 61.711 62.300 0.131 0.000 0.986 177 V CB 0.292 32.191 31.823 0.128 0.000 0.989 177 V HN 0.751 nan 8.190 nan 0.000 0.475 178 R N 3.897 124.443 120.500 0.078 0.000 2.428 178 R HA 0.608 4.963 4.340 0.025 0.000 0.294 178 R C -0.887 175.490 176.300 0.130 0.000 1.000 178 R CA -0.846 55.269 56.100 0.026 0.000 0.960 178 R CB 1.483 31.537 30.300 -0.410 0.000 1.076 178 R HN 0.517 nan 8.270 nan 0.000 0.475 179 L N 3.133 124.453 121.223 0.162 0.000 2.319 179 L HA 0.355 4.710 4.340 0.025 0.000 0.281 179 L C -1.568 175.469 176.870 0.277 0.000 1.005 179 L CA -0.454 54.553 54.840 0.279 0.000 0.828 179 L CB 0.743 42.962 42.059 0.267 0.000 1.227 179 L HN 0.441 nan 8.230 nan 0.000 0.415 180 Y N 5.461 126.057 120.300 0.493 0.000 2.335 180 Y HA 0.504 5.068 4.550 0.023 0.000 0.339 180 Y C -0.228 176.042 175.900 0.617 0.000 0.987 180 Y CA -0.462 57.989 58.100 0.585 0.000 1.140 180 Y CB 1.363 40.224 38.460 0.668 0.000 1.173 180 Y HN 0.420 nan 8.280 nan 0.000 0.486 181 L N 5.490 127.093 121.223 0.634 0.000 2.264 181 L HA 0.417 4.772 4.340 0.025 0.000 0.289 181 L C -0.614 176.511 176.870 0.424 0.000 1.044 181 L CA -0.567 54.511 54.840 0.397 0.000 0.807 181 L CB 0.475 42.670 42.059 0.228 0.000 1.192 181 L HN 0.697 nan 8.230 nan 0.000 0.425 182 W N 2.357 123.794 121.300 0.228 0.000 3.018 182 W HA 0.842 5.519 4.660 0.027 0.000 0.352 182 W C -0.772 175.817 176.519 0.116 0.000 1.230 182 W CA -1.072 56.354 57.345 0.136 0.000 1.162 182 W CB 1.423 31.023 29.460 0.232 0.000 1.483 182 W HN 0.525 nan 8.180 nan 0.000 0.584 183 G N -0.216 108.768 108.800 0.307 0.000 2.788 183 G HA2 0.677 4.652 3.960 0.025 0.000 0.293 183 G HA3 0.677 4.652 3.960 0.025 0.000 0.293 183 G C -2.312 172.737 174.900 0.248 0.000 1.392 183 G CA -0.839 44.346 45.100 0.141 0.000 0.810 183 G HN 0.513 nan 8.290 nan 0.000 0.508 184 V N 0.349 120.343 119.914 0.133 0.000 2.623 184 V HA 0.369 4.504 4.120 0.025 0.000 0.304 184 V C -0.808 175.214 176.094 -0.120 0.000 1.054 184 V CA -0.836 61.460 62.300 -0.006 0.000 0.882 184 V CB 1.673 33.479 31.823 -0.027 0.000 1.002 184 V HN 0.883 nan 8.190 nan 0.000 0.424 185 H N 4.974 123.870 119.070 -0.290 0.000 2.668 185 H HA 0.354 4.925 4.556 0.025 0.000 0.303 185 H C -0.901 174.309 175.328 -0.198 0.000 1.074 185 H CA -0.602 55.322 56.048 -0.206 0.000 1.406 185 H CB 0.661 30.342 29.762 -0.136 0.000 1.442 185 H HN 0.696 nan 8.280 nan 0.000 0.482 186 H N 7.011 125.905 119.070 -0.293 0.000 2.690 186 H HA 0.197 4.768 4.556 0.025 0.000 0.289 186 H C -2.335 172.740 175.328 -0.422 0.000 1.089 186 H CA -1.866 54.028 56.048 -0.258 0.000 1.299 186 H CB 1.145 30.884 29.762 -0.039 0.000 1.405 186 H HN 0.555 nan 8.280 nan 0.000 0.463 187 P HA 0.008 nan 4.420 nan 0.000 0.277 187 P C 0.751 178.100 177.300 0.080 0.000 1.240 187 P CA -0.364 62.692 63.100 -0.073 0.000 0.798 187 P CB 0.914 32.667 31.700 0.089 0.000 0.979 188 S N -0.600 115.188 115.700 0.147 0.000 2.593 188 S HA 0.183 4.668 4.470 0.025 0.000 0.217 188 S C 0.530 175.183 174.600 0.089 0.000 0.966 188 S CA 0.184 58.454 58.200 0.116 0.000 0.914 188 S CB -0.760 62.517 63.200 0.129 0.000 0.776 188 S HN 0.623 nan 8.310 nan 0.000 0.523 189 S N -0.569 115.186 115.700 0.092 0.000 2.615 189 S HA 0.391 4.876 4.470 0.025 0.000 0.268 189 S C -0.670 173.972 174.600 0.070 0.000 1.146 189 S CA -0.681 57.562 58.200 0.070 0.000 0.818 189 S CB 0.478 63.715 63.200 0.062 0.000 1.111 189 S HN -0.086 nan 8.310 nan 0.000 0.465 190 D N 1.011 121.443 120.400 0.053 0.000 2.144 190 D HA -0.055 4.600 4.640 0.025 0.000 0.200 190 D C 1.400 177.728 176.300 0.048 0.000 0.978 190 D CA 1.529 55.559 54.000 0.049 0.000 0.833 190 D CB -0.588 40.234 40.800 0.037 0.000 0.961 190 D HN 0.575 nan 8.370 nan 0.000 0.470 191 N N 1.024 119.749 118.700 0.041 0.000 2.043 191 N HA -0.160 4.595 4.740 0.025 0.000 0.193 191 N C 1.652 177.181 175.510 0.032 0.000 1.037 191 N CA 1.050 54.119 53.050 0.031 0.000 0.851 191 N CB -0.208 38.294 38.487 0.027 0.000 1.027 191 N HN 0.285 nan 8.380 nan 0.000 0.422 192 E N 0.343 120.578 120.200 0.057 0.000 2.058 192 E HA -0.332 4.033 4.350 0.025 0.000 0.194 192 E C 1.947 178.588 176.600 0.069 0.000 0.997 192 E CA 1.220 57.663 56.400 0.073 0.000 0.801 192 E CB -0.014 29.776 29.700 0.150 0.000 0.746 192 E HN 0.278 nan 8.360 nan 0.000 0.450 193 Q N 0.310 120.181 119.800 0.119 0.000 2.014 193 Q HA -0.208 4.147 4.340 0.025 0.000 0.207 193 Q C 2.169 178.226 176.000 0.096 0.000 0.993 193 Q CA 3.397 59.308 55.803 0.181 0.000 0.850 193 Q CB -0.786 28.040 28.738 0.146 0.000 0.916 193 Q HN 0.421 nan 8.270 nan 0.000 0.417 194 T N -2.003 112.580 114.554 0.048 0.000 2.777 194 T HA -0.124 4.241 4.350 0.025 0.000 0.266 194 T C 1.422 176.103 174.700 -0.032 0.000 1.040 194 T CA 1.259 63.371 62.100 0.020 0.000 1.141 194 T CB -0.584 68.298 68.868 0.022 0.000 0.868 194 T HN 0.253 nan 8.240 nan 0.000 0.444 195 D N 1.110 121.479 120.400 -0.052 0.000 2.182 195 D HA 0.006 4.661 4.640 0.025 0.000 0.201 195 D C 1.984 178.179 176.300 -0.176 0.000 0.986 195 D CA 0.823 54.770 54.000 -0.087 0.000 0.847 195 D CB -0.126 40.628 40.800 -0.075 0.000 0.942 195 D HN 0.418 nan 8.370 nan 0.000 0.467 196 L N -1.663 119.374 121.223 -0.310 0.000 2.286 196 L HA 0.012 4.367 4.340 0.025 0.000 0.203 196 L C 1.195 177.639 176.870 -0.709 0.000 1.068 196 L CA 0.529 54.963 54.840 -0.677 0.000 0.811 196 L CB 0.093 41.467 42.059 -1.142 0.000 0.989 196 L HN 0.032 nan 8.230 nan 0.000 0.467 197 Y N -1.607 118.696 120.300 0.006 0.000 2.527 197 Y HA 0.198 4.763 4.550 0.026 0.000 0.247 197 Y C 1.456 177.329 175.900 -0.045 0.000 1.138 197 Y CA -0.198 57.843 58.100 -0.099 0.000 1.228 197 Y CB 0.609 38.878 38.460 -0.319 0.000 1.252 197 Y HN -0.002 nan 8.280 nan 0.000 0.531 198 K N -0.230 120.212 120.400 0.071 0.000 9.188 198 K HA -0.264 4.071 4.320 0.025 0.000 0.503 198 K C 0.086 176.721 176.600 0.059 0.000 0.367 198 K CA 1.525 57.851 56.287 0.064 0.000 1.958 198 K CB -1.640 30.915 32.500 0.092 0.000 0.698 198 K HN 0.008 nan 8.250 nan 0.000 1.029 199 V N 1.589 121.539 119.914 0.060 0.000 3.083 199 V HA -0.003 4.132 4.120 0.025 0.000 0.303 199 V C 1.905 178.021 176.094 0.037 0.000 1.151 199 V CA 1.077 63.399 62.300 0.036 0.000 1.275 199 V CB 1.049 32.876 31.823 0.006 0.000 0.950 199 V HN 0.616 nan 8.190 nan 0.000 0.506 200 A N 2.913 125.749 122.820 0.027 0.000 2.072 200 A HA 0.188 4.523 4.320 0.025 0.000 0.216 200 A C 1.020 178.617 177.584 0.021 0.000 1.156 200 A CA 0.841 52.895 52.037 0.029 0.000 0.701 200 A CB 0.058 19.072 19.000 0.023 0.000 0.816 200 A HN 0.791 nan 8.150 nan 0.000 0.458 201 T N -0.135 114.421 114.554 0.002 0.000 2.949 201 T HA 0.535 4.900 4.350 0.025 0.000 0.300 201 T C 0.256 174.924 174.700 -0.053 0.000 0.988 201 T CA -0.096 61.994 62.100 -0.016 0.000 0.993 201 T CB 1.444 70.307 68.868 -0.009 0.000 0.984 201 T HN 0.380 nan 8.240 nan 0.000 0.442 202 G N 1.614 110.353 108.800 -0.100 0.000 2.563 202 G HA2 0.712 4.687 3.960 0.025 0.000 0.283 202 G HA3 0.712 4.687 3.960 0.025 0.000 0.283 202 G C -0.585 174.236 174.900 -0.131 0.000 1.309 202 G CA -0.541 44.452 45.100 -0.178 0.000 1.022 202 G HN 0.738 nan 8.290 nan 0.000 0.501 203 R N -1.568 118.847 120.500 -0.142 0.000 2.633 203 R HA 0.417 4.772 4.340 0.025 0.000 0.256 203 R C -2.196 174.046 176.300 -0.098 0.000 1.131 203 R CA -0.454 55.588 56.100 -0.098 0.000 0.994 203 R CB 1.749 32.012 30.300 -0.063 0.000 1.261 203 R HN 0.441 nan 8.270 nan 0.000 0.446 204 V N 3.060 122.914 119.914 -0.099 0.000 2.483 204 V HA 0.496 4.632 4.120 0.025 0.000 0.297 204 V C -0.637 175.363 176.094 -0.156 0.000 1.027 204 V CA -0.627 61.605 62.300 -0.113 0.000 0.855 204 V CB 2.060 33.837 31.823 -0.076 0.000 0.995 204 V HN 0.811 nan 8.190 nan 0.000 0.424 205 T N 4.233 118.672 114.554 -0.191 0.000 2.815 205 T HA 0.602 4.967 4.350 0.025 0.000 0.289 205 T C -0.430 174.050 174.700 -0.367 0.000 1.000 205 T CA -0.456 61.509 62.100 -0.225 0.000 0.958 205 T CB 1.606 70.386 68.868 -0.147 0.000 0.944 205 T HN 0.330 nan 8.240 nan 0.000 0.442 206 V N 3.750 123.367 119.914 -0.495 0.000 2.417 206 V HA 0.810 4.945 4.120 0.025 0.000 0.291 206 V C -0.070 175.777 176.094 -0.411 0.000 1.024 206 V CA -0.705 61.185 62.300 -0.684 0.000 0.861 206 V CB 1.501 32.618 31.823 -1.176 0.000 0.985 206 V HN 1.083 nan 8.190 nan 0.000 0.436 207 S N 2.176 117.630 115.700 -0.410 0.000 2.556 207 S HA 0.861 5.346 4.470 0.025 0.000 0.271 207 S C -0.476 173.986 174.600 -0.230 0.000 1.135 207 S CA -0.527 57.524 58.200 -0.247 0.000 0.858 207 S CB 2.238 65.329 63.200 -0.181 0.000 1.114 207 S HN 0.909 nan 8.310 nan 0.000 0.468 208 T N -1.021 113.447 114.554 -0.142 0.000 2.883 208 T HA 0.551 4.916 4.350 0.025 0.000 0.284 208 T C 0.945 175.599 174.700 -0.076 0.000 1.041 208 T CA -1.127 60.909 62.100 -0.106 0.000 1.007 208 T CB 1.118 69.951 68.868 -0.060 0.000 1.220 208 T HN 0.568 nan 8.240 nan 0.000 0.552 209 R N 0.325 120.791 120.500 -0.057 0.000 2.139 209 R HA -0.082 4.274 4.340 0.025 0.000 0.243 209 R C 2.248 178.527 176.300 -0.035 0.000 1.145 209 R CA 1.899 57.972 56.100 -0.044 0.000 0.976 209 R CB -0.380 29.898 30.300 -0.035 0.000 0.866 209 R HN 0.813 nan 8.270 nan 0.000 0.449 210 S N -0.912 114.772 115.700 -0.028 0.000 2.526 210 S HA 0.030 4.515 4.470 0.025 0.000 0.220 210 S C 0.148 174.738 174.600 -0.017 0.000 1.017 210 S CA -0.464 57.726 58.200 -0.018 0.000 0.930 210 S CB 0.363 63.559 63.200 -0.007 0.000 0.856 210 S HN 0.308 nan 8.310 nan 0.000 0.497 211 D N 0.157 120.542 120.400 -0.024 0.000 2.570 211 D HA 0.446 5.101 4.640 0.025 0.000 0.244 211 D C -1.135 175.138 176.300 -0.045 0.000 1.178 211 D CA -0.505 53.480 54.000 -0.025 0.000 0.881 211 D CB 1.779 42.573 40.800 -0.009 0.000 1.453 211 D HN 0.355 nan 8.370 nan 0.000 0.447 212 Q N 0.274 120.047 119.800 -0.045 0.000 2.522 212 Q HA 0.555 4.911 4.340 0.025 0.000 0.285 212 Q C -2.019 173.951 176.000 -0.050 0.000 0.982 212 Q CA -0.892 54.871 55.803 -0.066 0.000 0.805 212 Q CB 2.069 30.763 28.738 -0.074 0.000 1.457 212 Q HN 0.603 nan 8.270 nan 0.000 0.394 213 I N 2.031 122.564 120.570 -0.063 0.000 2.560 213 I HA 0.290 4.475 4.170 0.025 0.000 0.283 213 I C -1.176 174.903 176.117 -0.063 0.000 1.115 213 I CA -0.466 60.822 61.300 -0.019 0.000 1.066 213 I CB 2.190 40.269 38.000 0.131 0.000 1.221 213 I HN 0.592 nan 8.210 nan 0.000 0.450 214 S N 7.080 122.738 115.700 -0.069 0.000 2.552 214 S HA 0.712 5.197 4.470 0.025 0.000 0.314 214 S C -0.803 173.752 174.600 -0.076 0.000 1.099 214 S CA -0.490 57.660 58.200 -0.082 0.000 1.070 214 S CB 0.800 63.959 63.200 -0.069 0.000 0.998 214 S HN 0.342 nan 8.310 nan 0.000 0.474 215 I N 4.867 125.385 120.570 -0.086 0.000 2.509 215 I HA 0.451 4.636 4.170 0.025 0.000 0.293 215 I C -0.527 175.563 176.117 -0.047 0.000 1.020 215 I CA -0.951 60.308 61.300 -0.068 0.000 1.088 215 I CB 1.769 39.696 38.000 -0.121 0.000 1.267 215 I HN 0.312 nan 8.210 nan 0.000 0.430 216 V N 7.311 127.219 119.914 -0.008 0.000 2.347 216 V HA 0.382 4.517 4.120 0.025 0.000 0.280 216 V C -2.132 173.980 176.094 0.029 0.000 1.021 216 V CA -1.623 60.670 62.300 -0.011 0.000 0.847 216 V CB 1.333 33.157 31.823 0.001 0.000 0.990 216 V HN 0.592 nan 8.190 nan 0.000 0.444 217 P HA 0.224 nan 4.420 nan 0.000 0.271 217 P C -0.909 176.482 177.300 0.152 0.000 1.218 217 P CA -0.233 62.847 63.100 -0.033 0.000 0.780 217 P CB 0.410 31.972 31.700 -0.230 0.000 0.901 218 N N 1.256 120.192 118.700 0.394 0.000 2.362 218 N HA 0.433 5.188 4.740 0.025 0.000 0.298 218 N C -1.092 174.504 175.510 0.143 0.000 1.048 218 N CA -0.676 52.482 53.050 0.180 0.000 0.858 218 N CB 0.829 39.368 38.487 0.086 0.000 1.218 218 N HN 0.198 nan 8.380 nan 0.000 0.488 219 I N 1.026 121.643 120.570 0.078 0.000 2.336 219 I HA 0.730 4.915 4.170 0.025 0.000 0.292 219 I C 0.757 176.902 176.117 0.048 0.000 0.991 219 I CA -0.372 60.966 61.300 0.064 0.000 1.227 219 I CB 1.132 39.165 38.000 0.056 0.000 1.366 219 I HN 0.876 nan 8.210 nan 0.000 0.466 220 G N 3.231 112.061 108.800 0.049 0.000 2.342 220 G HA2 0.292 4.267 3.960 0.025 0.000 0.297 220 G HA3 0.292 4.267 3.960 0.025 0.000 0.297 220 G C -1.654 173.270 174.900 0.041 0.000 1.313 220 G CA -0.584 44.538 45.100 0.037 0.000 0.830 220 G HN 0.384 nan 8.290 nan 0.000 0.506 221 S N -0.109 115.609 115.700 0.030 0.000 2.499 221 S HA 0.705 5.190 4.470 0.025 0.000 0.279 221 S C 0.102 174.713 174.600 0.019 0.000 1.219 221 S CA -0.430 57.788 58.200 0.031 0.000 1.062 221 S CB 1.240 64.455 63.200 0.025 0.000 0.978 221 S HN 0.549 nan 8.310 nan 0.000 0.489 222 R N 2.154 122.667 120.500 0.022 0.000 2.832 222 R HA 0.563 4.918 4.340 0.025 0.000 0.271 222 R C -2.874 173.427 176.300 0.002 0.000 0.996 222 R CA -2.141 53.963 56.100 0.006 0.000 0.977 222 R CB 0.106 30.410 30.300 0.006 0.000 1.168 222 R HN 0.315 nan 8.270 nan 0.000 0.482 223 P HA -0.069 nan 4.420 nan 0.000 0.263 223 P C -0.637 176.653 177.300 -0.016 0.000 1.175 223 P CA 0.307 63.399 63.100 -0.014 0.000 0.761 223 P CB 0.472 32.158 31.700 -0.023 0.000 0.794 224 R N 1.922 122.414 120.500 -0.013 0.000 2.484 224 R HA 0.175 4.530 4.340 0.025 0.000 0.293 224 R C -0.538 175.743 176.300 -0.031 0.000 1.023 224 R CA 0.043 56.133 56.100 -0.017 0.000 1.037 224 R CB 0.060 30.355 30.300 -0.007 0.000 0.951 224 R HN 0.281 nan 8.270 nan 0.000 0.418 225 V N 4.639 124.523 119.914 -0.050 0.000 2.444 225 V HA 0.227 4.362 4.120 0.025 0.000 0.294 225 V C 0.710 176.769 176.094 -0.060 0.000 1.022 225 V CA -0.773 61.492 62.300 -0.057 0.000 0.850 225 V CB 1.491 33.269 31.823 -0.075 0.000 0.992 225 V HN 0.851 nan 8.190 nan 0.000 0.426 226 R N 3.667 124.147 120.500 -0.035 0.000 3.502 226 R HA -0.257 4.098 4.340 0.025 0.000 0.266 226 R C 1.010 177.300 176.300 -0.016 0.000 1.077 226 R CA 0.963 57.051 56.100 -0.020 0.000 0.718 226 R CB -1.304 28.986 30.300 -0.017 0.000 1.120 226 R HN 0.979 nan 8.270 nan 0.000 0.457 227 N N -1.563 117.128 118.700 -0.014 0.000 2.965 227 N HA -0.189 4.566 4.740 0.025 0.000 0.232 227 N C -1.085 174.426 175.510 0.002 0.000 0.913 227 N CA 1.892 54.942 53.050 0.000 0.000 0.981 227 N CB -0.261 38.235 38.487 0.015 0.000 1.077 227 N HN 0.424 nan 8.380 nan 0.000 0.589 228 Q N -0.408 119.369 119.800 -0.039 0.000 2.256 228 Q HA 0.414 4.769 4.340 0.025 0.000 0.257 228 Q C 0.615 176.591 176.000 -0.040 0.000 0.936 228 Q CA 0.046 55.815 55.803 -0.058 0.000 0.903 228 Q CB 1.616 30.190 28.738 -0.274 0.000 1.263 228 Q HN 0.208 nan 8.270 nan 0.000 0.440 229 S N 1.086 116.810 115.700 0.039 0.000 2.523 229 S HA 0.231 4.716 4.470 0.025 0.000 0.217 229 S C 0.639 175.303 174.600 0.106 0.000 0.996 229 S CA 0.267 58.500 58.200 0.054 0.000 0.921 229 S CB 0.344 63.582 63.200 0.062 0.000 0.829 229 S HN 0.659 nan 8.310 nan 0.000 0.495 230 G N 1.105 110.028 108.800 0.205 0.000 2.543 230 G HA2 0.634 4.609 3.960 0.025 0.000 0.290 230 G HA3 0.634 4.609 3.960 0.025 0.000 0.290 230 G C -0.647 174.458 174.900 0.342 0.000 1.310 230 G CA -0.559 44.747 45.100 0.345 0.000 1.025 230 G HN 0.307 nan 8.290 nan 0.000 0.502 231 R N -1.548 119.241 120.500 0.482 0.000 2.799 231 R HA 0.518 4.873 4.340 0.025 0.000 0.270 231 R C -1.297 175.399 176.300 0.660 0.000 1.010 231 R CA -0.800 55.603 56.100 0.505 0.000 0.916 231 R CB 1.700 32.163 30.300 0.272 0.000 1.228 231 R HN 0.440 nan 8.270 nan 0.000 0.469 232 I N 0.450 121.375 120.570 0.590 0.000 2.465 232 I HA 0.277 4.462 4.170 0.025 0.000 0.291 232 I C -0.196 176.128 176.117 0.345 0.000 1.014 232 I CA -0.379 61.162 61.300 0.401 0.000 1.093 232 I CB 2.274 40.435 38.000 0.268 0.000 1.267 232 I HN 0.288 nan 8.210 nan 0.000 0.431 233 S N 6.482 122.363 115.700 0.302 0.000 2.438 233 S HA 0.517 5.002 4.470 0.025 0.000 0.293 233 S C -0.187 174.438 174.600 0.041 0.000 1.141 233 S CA -0.526 57.803 58.200 0.214 0.000 1.080 233 S CB 0.650 64.100 63.200 0.417 0.000 0.978 233 S HN 0.240 nan 8.310 nan 0.000 0.479 234 I N 4.012 124.491 120.570 -0.151 0.000 2.365 234 I HA 0.378 4.563 4.170 0.025 0.000 0.291 234 I C -0.466 175.309 176.117 -0.570 0.000 1.004 234 I CA -0.333 60.800 61.300 -0.278 0.000 1.311 234 I CB 0.180 38.039 38.000 -0.235 0.000 1.401 234 I HN 0.577 nan 8.210 nan 0.000 0.491 235 Y N 4.821 124.740 120.300 -0.635 0.000 2.633 235 Y HA 0.590 5.155 4.550 0.025 0.000 0.339 235 Y C -0.285 175.243 175.900 -0.621 0.000 1.045 235 Y CA -0.635 56.980 58.100 -0.807 0.000 1.098 235 Y CB 1.932 39.441 38.460 -1.584 0.000 1.296 235 Y HN 0.655 nan 8.280 nan 0.000 0.494 236 W N -0.853 120.300 121.300 -0.245 0.000 3.107 236 W HA 0.825 5.490 4.660 0.009 0.000 0.331 236 W C -2.175 174.541 176.519 0.328 0.000 1.204 236 W CA -1.047 56.326 57.345 0.045 0.000 1.184 236 W CB 1.389 30.872 29.460 0.038 0.000 1.421 236 W HN 0.372 nan 8.180 nan 0.000 0.544 237 T N 3.508 118.447 114.554 0.643 0.000 2.921 237 T HA 0.550 4.915 4.350 0.025 0.000 0.297 237 T C -0.705 174.292 174.700 0.495 0.000 1.013 237 T CA -0.632 61.746 62.100 0.463 0.000 0.990 237 T CB 1.179 70.303 68.868 0.426 0.000 1.023 237 T HN 0.468 nan 8.240 nan 0.000 0.447 238 L N 2.319 123.760 121.223 0.363 0.000 2.360 238 L HA 0.825 5.180 4.340 0.025 0.000 0.271 238 L C -0.557 176.448 176.870 0.224 0.000 1.057 238 L CA -0.993 54.035 54.840 0.312 0.000 0.803 238 L CB 1.343 43.560 42.059 0.262 0.000 1.207 238 L HN 0.349 nan 8.230 nan 0.000 0.445 239 V N 1.581 121.611 119.914 0.193 0.000 2.532 239 V HA 0.293 4.428 4.120 0.025 0.000 0.294 239 V C -0.396 175.728 176.094 0.050 0.000 1.036 239 V CA -1.013 61.357 62.300 0.116 0.000 0.876 239 V CB 1.384 33.298 31.823 0.151 0.000 1.012 239 V HN 0.660 nan 8.190 nan 0.000 0.432 240 N N 4.463 123.181 118.700 0.030 0.000 2.415 240 N HA 0.271 5.026 4.740 0.025 0.000 0.248 240 N C -2.564 172.924 175.510 -0.037 0.000 1.271 240 N CA -1.283 51.770 53.050 0.004 0.000 0.913 240 N CB 0.502 38.996 38.487 0.012 0.000 1.129 240 N HN 0.321 nan 8.380 nan 0.000 0.444 241 P HA 0.001 nan 4.420 nan 0.000 0.261 241 P C 0.873 178.142 177.300 -0.052 0.000 1.173 241 P CA 0.959 64.012 63.100 -0.078 0.000 0.760 241 P CB 0.220 31.883 31.700 -0.062 0.000 0.783 242 G N 1.626 110.391 108.800 -0.058 0.000 2.268 242 G HA2 -0.214 3.761 3.960 0.025 0.000 0.240 242 G HA3 -0.214 3.761 3.960 0.025 0.000 0.240 242 G C 0.301 175.177 174.900 -0.039 0.000 1.010 242 G CA 0.159 45.234 45.100 -0.043 0.000 0.618 242 G HN 0.606 nan 8.290 nan 0.000 0.516 243 D N 0.629 121.006 120.400 -0.037 0.000 2.423 243 D HA 0.726 5.381 4.640 0.025 0.000 0.255 243 D C 0.183 176.459 176.300 -0.041 0.000 1.174 243 D CA 0.268 54.248 54.000 -0.034 0.000 1.008 243 D CB 1.361 42.147 40.800 -0.023 0.000 1.101 243 D HN 0.175 nan 8.370 nan 0.000 0.516 244 S N 0.097 115.767 115.700 -0.050 0.000 2.568 244 S HA 0.553 5.038 4.470 0.025 0.000 0.293 244 S C -0.492 174.045 174.600 -0.106 0.000 1.089 244 S CA -0.705 57.456 58.200 -0.065 0.000 0.945 244 S CB 1.406 64.568 63.200 -0.063 0.000 1.077 244 S HN 0.462 nan 8.310 nan 0.000 0.485 245 I N 2.502 122.980 120.570 -0.153 0.000 2.441 245 I HA 0.587 4.772 4.170 0.025 0.000 0.295 245 I C -1.588 174.323 176.117 -0.344 0.000 0.994 245 I CA -1.078 60.036 61.300 -0.309 0.000 1.144 245 I CB 0.735 38.459 38.000 -0.461 0.000 1.314 245 I HN 0.600 nan 8.210 nan 0.000 0.445 246 I N 6.986 127.296 120.570 -0.434 0.000 2.474 246 I HA 0.331 4.516 4.170 0.025 0.000 0.294 246 I C -1.253 174.524 176.117 -0.567 0.000 1.005 246 I CA -0.549 60.552 61.300 -0.331 0.000 1.113 246 I CB 1.734 39.626 38.000 -0.180 0.000 1.289 246 I HN 0.386 nan 8.210 nan 0.000 0.436 247 F N 4.690 124.564 119.950 -0.128 0.000 2.361 247 F HA 0.368 4.910 4.527 0.025 0.000 0.364 247 F C 0.424 176.183 175.800 -0.068 0.000 1.117 247 F CA -0.478 57.429 58.000 -0.155 0.000 1.071 247 F CB 0.749 39.716 39.000 -0.055 0.000 1.188 247 F HN 0.406 nan 8.300 nan 0.000 0.464 248 N N 2.349 121.046 118.700 -0.006 0.000 2.399 248 N HA 0.450 5.205 4.740 0.025 0.000 0.280 248 N C -1.598 173.915 175.510 0.004 0.000 1.008 248 N CA 0.010 53.066 53.050 0.009 0.000 0.894 248 N CB 1.612 40.072 38.487 -0.044 0.000 1.273 248 N HN 0.585 nan 8.380 nan 0.000 0.486 249 S N 3.280 119.020 115.700 0.067 0.000 2.562 249 S HA 0.308 4.793 4.470 0.025 0.000 0.274 249 S C 0.225 174.938 174.600 0.187 0.000 1.160 249 S CA -0.679 57.570 58.200 0.082 0.000 0.933 249 S CB 0.669 63.918 63.200 0.082 0.000 1.100 249 S HN 0.563 nan 8.310 nan 0.000 0.468 250 I N 1.849 122.486 120.570 0.111 0.000 3.928 250 I HA 0.755 4.940 4.170 0.025 0.000 0.335 250 I C 0.663 176.731 176.117 -0.081 0.000 1.325 250 I CA -0.196 61.196 61.300 0.153 0.000 1.107 250 I CB 0.345 38.383 38.000 0.064 0.000 1.014 250 I HN 0.709 nan 8.210 nan 0.000 0.400 251 G N 0.468 109.068 108.800 -0.333 0.000 2.384 251 G HA2 0.256 4.231 3.960 0.025 0.000 0.300 251 G HA3 0.256 4.231 3.960 0.025 0.000 0.300 251 G C -0.573 173.895 174.900 -0.721 0.000 1.582 251 G CA -0.464 44.048 45.100 -0.981 0.000 0.875 251 G HN 0.090 nan 8.290 nan 0.000 0.628 252 N N -2.469 115.544 118.700 -1.146 0.000 2.878 252 N HA -0.174 4.581 4.740 0.025 0.000 0.247 252 N C 0.240 175.531 175.510 -0.365 0.000 1.021 252 N CA 1.050 53.532 53.050 -0.947 0.000 0.873 252 N CB -1.169 36.904 38.487 -0.691 0.000 1.128 252 N HN 1.096 nan 8.380 nan 0.000 0.571 253 L N 1.573 122.688 121.223 -0.180 0.000 2.410 253 L HA 0.273 4.628 4.340 0.025 0.000 0.273 253 L C -0.106 176.701 176.870 -0.104 0.000 1.144 253 L CA 0.040 54.832 54.840 -0.081 0.000 0.863 253 L CB 0.242 42.258 42.059 -0.071 0.000 1.140 253 L HN 0.063 nan 8.230 nan 0.000 0.463 254 I N 6.259 126.786 120.570 -0.073 0.000 2.297 254 I HA 0.357 4.542 4.170 0.025 0.000 0.291 254 I C 0.588 176.658 176.117 -0.079 0.000 1.033 254 I CA -0.207 61.029 61.300 -0.107 0.000 1.253 254 I CB 0.358 38.300 38.000 -0.097 0.000 1.396 254 I HN 0.784 nan 8.210 nan 0.000 0.476 255 A N 10.256 132.920 122.820 -0.259 0.000 2.293 255 A HA 0.820 5.155 4.320 0.025 0.000 0.302 255 A C -2.404 175.036 177.584 -0.239 0.000 1.119 255 A CA -1.311 50.424 52.037 -0.504 0.000 0.823 255 A CB 0.512 18.748 19.000 -1.274 0.000 1.097 255 A HN 0.448 nan 8.150 nan 0.000 0.491 256 P HA 0.357 nan 4.420 nan 0.000 0.279 256 P C -0.541 176.827 177.300 0.113 0.000 1.252 256 P CA -0.377 62.743 63.100 0.033 0.000 0.811 256 P CB 1.006 32.791 31.700 0.141 0.000 1.035 257 R N 0.587 121.342 120.500 0.424 0.000 2.509 257 R HA 0.489 4.844 4.340 0.025 0.000 0.300 257 R C 0.849 177.590 176.300 0.735 0.000 0.985 257 R CA -0.066 56.393 56.100 0.598 0.000 1.092 257 R CB 0.392 30.980 30.300 0.479 0.000 1.237 257 R HN 0.799 nan 8.270 nan 0.000 0.546 258 G N 0.667 109.905 108.800 0.729 0.000 2.302 258 G HA2 -0.051 3.924 3.960 0.025 0.000 0.264 258 G HA3 -0.051 3.924 3.960 0.025 0.000 0.264 258 G C -1.637 173.203 174.900 -0.101 0.000 1.335 258 G CA -0.791 44.391 45.100 0.137 0.000 0.982 258 G HN 0.293 nan 8.290 nan 0.000 0.473 259 H N -1.578 116.993 119.070 -0.831 0.000 2.990 259 H HA 0.671 5.242 4.556 0.025 0.000 0.336 259 H C -1.791 173.178 175.328 -0.598 0.000 1.306 259 H CA -0.846 54.819 56.048 -0.638 0.000 1.118 259 H CB 1.206 30.396 29.762 -0.954 0.000 1.856 259 H HN 0.575 nan 8.280 nan 0.000 0.538 260 Y N 0.475 120.806 120.300 0.053 0.000 2.453 260 Y HA 0.264 4.830 4.550 0.026 0.000 0.326 260 Y C 0.683 176.659 175.900 0.127 0.000 1.186 260 Y CA -0.843 57.290 58.100 0.055 0.000 1.200 260 Y CB 1.863 40.382 38.460 0.098 0.000 1.247 260 Y HN 0.498 nan 8.280 nan 0.000 0.482 261 K N 2.988 123.480 120.400 0.153 0.000 2.248 261 K HA 0.312 4.647 4.320 0.025 0.000 0.281 261 K C -1.192 175.420 176.600 0.020 0.000 1.054 261 K CA -0.446 55.827 56.287 -0.023 0.000 0.903 261 K CB 0.333 32.549 32.500 -0.474 0.000 1.077 261 K HN 0.503 nan 8.250 nan 0.000 0.474 262 I N 4.591 125.222 120.570 0.102 0.000 2.337 262 I HA 0.023 4.208 4.170 0.025 0.000 0.291 262 I C 0.379 176.513 176.117 0.029 0.000 1.046 262 I CA 0.063 61.396 61.300 0.054 0.000 1.324 262 I CB 0.503 38.558 38.000 0.092 0.000 1.409 262 I HN 0.678 nan 8.210 nan 0.000 0.494 263 S N 6.836 122.518 115.700 -0.029 0.000 2.541 263 S HA 0.509 4.994 4.470 0.025 0.000 0.283 263 S C 0.071 174.661 174.600 -0.017 0.000 1.196 263 S CA -0.930 57.254 58.200 -0.026 0.000 1.062 263 S CB 2.007 65.167 63.200 -0.066 0.000 1.009 263 S HN 0.459 nan 8.310 nan 0.000 0.502 267 T N -0.713 113.827 114.554 -0.024 0.000 3.268 267 T HA 0.464 4.829 4.350 0.025 0.000 0.258 267 T C 0.326 175.005 174.700 -0.036 0.000 0.966 267 T CA 0.092 62.171 62.100 -0.035 0.000 0.952 267 T CB -0.141 68.691 68.868 -0.059 0.000 1.132 267 T HN 1.126 nan 8.240 nan 0.000 0.536 268 K N -0.070 120.323 120.400 -0.011 0.000 3.467 268 K HA -0.171 4.165 4.320 0.025 0.000 0.309 268 K C -0.466 176.146 176.600 0.019 0.000 1.350 268 K CA 0.928 57.218 56.287 0.004 0.000 0.934 268 K CB -2.033 30.467 32.500 -0.001 0.000 1.312 268 K HN 0.469 nan 8.250 nan 0.000 0.461 269 S N -0.524 115.186 115.700 0.016 0.000 2.730 269 S HA 0.731 5.216 4.470 0.025 0.000 0.284 269 S C -0.080 174.615 174.600 0.158 0.000 1.153 269 S CA 0.125 58.380 58.200 0.091 0.000 0.995 269 S CB 1.921 65.120 63.200 -0.001 0.000 1.058 269 S HN 0.442 nan 8.310 nan 0.000 0.552 270 T N -0.679 114.046 114.554 0.285 0.000 2.663 270 T HA 0.420 4.785 4.350 0.025 0.000 0.305 270 T C -2.079 172.735 174.700 0.190 0.000 1.660 270 T CA -0.416 61.801 62.100 0.195 0.000 0.976 270 T CB 0.855 69.788 68.868 0.108 0.000 1.705 270 T HN 0.531 nan 8.240 nan 0.000 0.494 271 V N 2.489 122.454 119.914 0.085 0.000 2.680 271 V HA 0.923 5.058 4.120 0.025 0.000 0.309 271 V C -1.360 174.751 176.094 0.028 0.000 1.052 271 V CA -0.704 61.621 62.300 0.042 0.000 0.908 271 V CB 1.472 33.285 31.823 -0.016 0.000 1.001 271 V HN 0.915 nan 8.190 nan 0.000 0.431 272 L N 5.709 126.943 121.223 0.017 0.000 2.365 272 L HA 0.624 4.979 4.340 0.025 0.000 0.273 272 L C -0.445 176.420 176.870 -0.008 0.000 1.000 272 L CA -0.244 54.594 54.840 -0.003 0.000 0.819 272 L CB 1.720 43.770 42.059 -0.015 0.000 1.284 272 L HN 0.730 nan 8.230 nan 0.000 0.418 273 K N 3.332 123.724 120.400 -0.014 0.000 2.354 273 K HA 0.524 4.859 4.320 0.025 0.000 0.257 273 K C -0.909 175.673 176.600 -0.030 0.000 1.062 273 K CA -0.090 56.188 56.287 -0.015 0.000 0.971 273 K CB 0.725 33.218 32.500 -0.011 0.000 1.305 273 K HN 0.757 nan 8.250 nan 0.000 0.449 274 S N 1.362 117.041 115.700 -0.036 0.000 2.704 274 S HA 0.299 4.784 4.470 0.025 0.000 0.296 274 S C -0.247 174.329 174.600 -0.040 0.000 1.138 274 S CA -0.618 57.556 58.200 -0.043 0.000 0.875 274 S CB 1.339 64.509 63.200 -0.049 0.000 1.151 274 S HN 0.704 nan 8.310 nan 0.000 0.500 275 D N 0.119 120.497 120.400 -0.037 0.000 2.500 275 D HA 0.148 4.803 4.640 0.025 0.000 0.218 275 D C -0.413 175.871 176.300 -0.028 0.000 1.140 275 D CA -0.065 53.916 54.000 -0.031 0.000 0.830 275 D CB 0.041 40.826 40.800 -0.025 0.000 1.055 275 D HN 0.284 nan 8.370 nan 0.000 0.512 276 K N 1.466 121.850 120.400 -0.027 0.000 2.382 276 K HA 0.210 4.545 4.320 0.025 0.000 0.275 276 K C 0.511 177.097 176.600 -0.022 0.000 1.009 276 K CA -0.195 56.081 56.287 -0.018 0.000 0.970 276 K CB 1.151 33.643 32.500 -0.013 0.000 0.934 276 K HN 0.152 nan 8.250 nan 0.000 0.479 277 R N 1.472 121.963 120.500 -0.015 0.000 2.539 277 R HA 0.244 4.599 4.340 0.025 0.000 0.275 277 R C 0.399 176.687 176.300 -0.020 0.000 1.077 277 R CA -0.399 55.689 56.100 -0.020 0.000 1.097 277 R CB 0.336 30.628 30.300 -0.014 0.000 1.018 277 R HN 0.472 nan 8.270 nan 0.000 0.483 278 I N 2.247 122.800 120.570 -0.029 0.000 2.452 278 I HA 0.054 4.239 4.170 0.025 0.000 0.287 278 I C 1.228 177.335 176.117 -0.016 0.000 1.079 278 I CA 0.261 61.545 61.300 -0.027 0.000 1.387 278 I CB 0.886 38.862 38.000 -0.040 0.000 1.404 278 I HN 0.736 nan 8.210 nan 0.000 0.522 279 G N 3.276 112.071 108.800 -0.008 0.000 2.630 279 G HA2 0.307 4.282 3.960 0.025 0.000 0.223 279 G HA3 0.307 4.282 3.960 0.025 0.000 0.223 279 G C 0.461 175.359 174.900 -0.003 0.000 1.434 279 G CA 0.071 45.169 45.100 -0.003 0.000 1.057 279 G HN 0.613 nan 8.290 nan 0.000 0.570 280 S N -1.883 113.817 115.700 -0.000 0.000 2.819 280 S HA 0.133 4.618 4.470 0.025 0.000 0.249 280 S C 0.931 175.533 174.600 0.003 0.000 1.030 280 S CA 0.025 58.225 58.200 0.001 0.000 1.052 280 S CB -1.223 61.977 63.200 0.000 0.000 1.017 280 S HN 0.943 nan 8.310 nan 0.000 0.576 281 c N 1.404 120.007 118.600 0.005 0.000 2.633 281 c HA 0.752 5.337 4.570 0.025 0.000 0.345 281 c C 0.502 174.597 174.090 0.008 0.000 1.384 281 c CA -0.410 55.924 56.329 0.007 0.000 2.418 281 c CB -0.210 42.307 42.510 0.011 0.000 2.425 281 c HN 0.359 nan 8.230 nan 0.000 0.705 282 T N 1.560 116.119 114.554 0.009 0.000 2.812 282 T HA 0.664 5.029 4.350 0.025 0.000 0.282 282 T C -0.536 174.171 174.700 0.012 0.000 0.990 282 T CA -0.018 62.087 62.100 0.010 0.000 0.960 282 T CB 1.174 70.047 68.868 0.008 0.000 0.948 282 T HN 1.168 nan 8.240 nan 0.000 0.438 283 S N 3.472 119.180 115.700 0.014 0.000 2.560 283 S HA 0.504 4.989 4.470 0.025 0.000 0.283 283 S C -2.757 171.853 174.600 0.017 0.000 1.141 283 S CA -1.084 57.126 58.200 0.016 0.000 0.902 283 S CB 1.815 65.028 63.200 0.022 0.000 1.104 283 S HN 0.352 nan 8.310 nan 0.000 0.454 284 P HA 0.305 nan 4.420 nan 0.000 0.262 284 P C -0.060 177.251 177.300 0.019 0.000 1.304 284 P CA 0.053 63.163 63.100 0.016 0.000 0.859 284 P CB -0.311 31.397 31.700 0.013 0.000 1.310 285 c N 1.250 119.863 118.600 0.021 0.000 2.442 285 c HA 0.533 5.118 4.570 0.025 0.000 0.335 285 c C -1.024 173.079 174.090 0.021 0.000 1.134 285 c CA -0.835 55.508 56.329 0.023 0.000 1.344 285 c CB -0.645 41.881 42.510 0.028 0.000 1.956 285 c HN 0.011 nan 8.230 nan 0.000 0.438 286 L N 6.051 127.283 121.223 0.015 0.000 2.317 286 L HA 0.691 5.046 4.340 0.025 0.000 0.281 286 L C 0.759 177.623 176.870 -0.009 0.000 1.024 286 L CA 0.027 54.870 54.840 0.004 0.000 0.810 286 L CB 2.180 44.240 42.059 0.002 0.000 1.240 286 L HN 0.859 nan 8.230 nan 0.000 0.427 287 T N -3.150 111.386 114.554 -0.030 0.000 2.910 287 T HA 0.219 4.584 4.350 0.025 0.000 0.287 287 T C 0.679 175.334 174.700 -0.075 0.000 1.050 287 T CA -0.655 61.411 62.100 -0.056 0.000 1.011 287 T CB 1.774 70.596 68.868 -0.077 0.000 1.195 287 T HN 0.662 nan 8.240 nan 0.000 0.540 288 D N 0.025 120.374 120.400 -0.086 0.000 2.310 288 D HA -0.062 4.593 4.640 0.025 0.000 0.212 288 D C 1.171 177.405 176.300 -0.110 0.000 0.965 288 D CA 0.730 54.681 54.000 -0.083 0.000 0.879 288 D CB -0.073 40.681 40.800 -0.076 0.000 0.921 288 D HN 0.472 nan 8.370 nan 0.000 0.510 289 K N -0.150 120.143 120.400 -0.178 0.000 2.374 289 K HA 0.388 4.723 4.320 0.025 0.000 0.196 289 K C 0.687 177.089 176.600 -0.331 0.000 1.023 289 K CA 0.379 56.486 56.287 -0.300 0.000 1.103 289 K CB 1.262 33.471 32.500 -0.486 0.000 0.848 289 K HN 0.325 nan 8.250 nan 0.000 0.528 290 G N -1.040 107.661 108.800 -0.165 0.000 2.331 290 G HA2 -0.091 3.884 3.960 0.025 0.000 0.402 290 G HA3 -0.091 3.884 3.960 0.025 0.000 0.402 290 G C -1.080 173.820 174.900 -0.000 0.000 1.275 290 G CA -0.977 44.105 45.100 -0.030 0.000 1.003 290 G HN -0.067 nan 8.290 nan 0.000 0.500 291 S N -0.762 114.975 115.700 0.063 0.000 2.617 291 S HA 0.743 5.228 4.470 0.025 0.000 0.283 291 S C 0.186 174.839 174.600 0.088 0.000 1.189 291 S CA -0.411 57.821 58.200 0.054 0.000 1.036 291 S CB 1.203 64.428 63.200 0.041 0.000 1.014 291 S HN 0.578 nan 8.310 nan 0.000 0.522 292 I N 2.269 122.879 120.570 0.066 0.000 2.362 292 I HA 0.277 4.462 4.170 0.025 0.000 0.289 292 I C -0.378 175.768 176.117 0.048 0.000 0.994 292 I CA -0.278 61.066 61.300 0.073 0.000 1.158 292 I CB 1.417 39.460 38.000 0.071 0.000 1.315 292 I HN 0.490 nan 8.210 nan 0.000 0.451 293 Q N 5.344 125.170 119.800 0.043 0.000 2.508 293 Q HA 0.489 4.845 4.340 0.025 0.000 0.247 293 Q C -0.814 175.198 176.000 0.021 0.000 1.047 293 Q CA -0.308 55.511 55.803 0.026 0.000 0.783 293 Q CB 1.950 30.701 28.738 0.022 0.000 1.172 293 Q HN 0.589 nan 8.270 nan 0.000 0.515 294 S N 1.012 116.721 115.700 0.016 0.000 2.565 294 S HA 0.277 4.762 4.470 0.025 0.000 0.269 294 S C -1.045 173.552 174.600 -0.004 0.000 1.153 294 S CA -0.635 57.571 58.200 0.009 0.000 0.835 294 S CB 1.161 64.372 63.200 0.018 0.000 1.122 294 S HN 0.659 nan 8.310 nan 0.000 0.462 295 D N 1.445 121.837 120.400 -0.012 0.000 2.395 295 D HA 0.201 4.856 4.640 0.025 0.000 0.213 295 D C -0.020 176.251 176.300 -0.047 0.000 1.110 295 D CA -0.094 53.890 54.000 -0.026 0.000 0.835 295 D CB 0.012 40.799 40.800 -0.022 0.000 0.965 295 D HN 0.350 nan 8.370 nan 0.000 0.505 296 K N 1.101 121.476 120.400 -0.042 0.000 2.295 296 K HA 0.170 4.505 4.320 0.025 0.000 0.270 296 K C -1.666 174.847 176.600 -0.146 0.000 1.011 296 K CA -1.360 54.886 56.287 -0.068 0.000 0.953 296 K CB 1.053 33.542 32.500 -0.017 0.000 0.956 296 K HN -0.099 nan 8.250 nan 0.000 0.477 297 P HA -0.057 nan 4.420 nan 0.000 0.220 297 P C -0.457 176.435 177.300 -0.681 0.000 1.152 297 P CA 1.171 63.903 63.100 -0.613 0.000 0.812 297 P CB 0.284 31.352 31.700 -1.053 0.000 0.792 298 F N -0.895 119.056 119.950 0.001 0.000 2.618 298 F HA 0.580 5.121 4.527 0.024 0.000 0.332 298 F C 0.070 175.868 175.800 -0.002 0.000 1.061 298 F CA -1.049 56.945 58.000 -0.009 0.000 0.974 298 F CB 1.470 40.449 39.000 -0.035 0.000 1.310 298 F HN -0.309 nan 8.300 nan 0.000 0.491 299 Q N -0.358 119.563 119.800 0.202 0.000 2.472 299 Q HA 0.324 4.679 4.340 0.025 0.000 0.281 299 Q C -1.103 174.933 176.000 0.060 0.000 0.997 299 Q CA -0.910 54.972 55.803 0.132 0.000 0.828 299 Q CB 1.449 30.280 28.738 0.155 0.000 1.443 299 Q HN 0.485 nan 8.270 nan 0.000 0.390 300 N N 0.714 119.467 118.700 0.089 0.000 2.322 300 N HA 0.010 4.765 4.740 0.025 0.000 0.181 300 N C 0.561 176.239 175.510 0.280 0.000 1.088 300 N CA 0.758 53.855 53.050 0.077 0.000 0.885 300 N CB 0.063 38.581 38.487 0.053 0.000 1.013 300 N HN 0.334 nan 8.380 nan 0.000 0.472 301 V N -0.512 119.562 119.914 0.266 0.000 2.270 301 V HA 0.039 4.174 4.120 0.025 0.000 0.245 301 V C 0.956 177.129 176.094 0.130 0.000 1.043 301 V CA 1.377 63.791 62.300 0.190 0.000 1.014 301 V CB -0.593 31.316 31.823 0.144 0.000 0.645 301 V HN 0.497 nan 8.190 nan 0.000 0.447 302 S N -1.916 113.849 115.700 0.109 0.000 2.542 302 S HA 0.325 4.810 4.470 0.025 0.000 0.276 302 S C 0.645 174.950 174.600 -0.491 0.000 1.148 302 S CA -0.633 57.457 58.200 -0.182 0.000 0.886 302 S CB 1.453 64.572 63.200 -0.135 0.000 1.109 302 S HN 0.431 nan 8.310 nan 0.000 0.458 303 R N 2.497 122.487 120.500 -0.851 0.000 2.189 303 R HA 0.141 4.496 4.340 0.025 0.000 0.223 303 R C 0.375 176.516 176.300 -0.265 0.000 1.092 303 R CA 0.928 56.611 56.100 -0.696 0.000 0.989 303 R CB -0.664 29.300 30.300 -0.561 0.000 0.876 303 R HN 0.568 nan 8.270 nan 0.000 0.457 304 I N 2.293 122.740 120.570 -0.204 0.000 2.278 304 I HA 0.207 4.392 4.170 0.025 0.000 0.296 304 I C -0.286 175.790 176.117 -0.068 0.000 1.121 304 I CA -0.303 60.933 61.300 -0.107 0.000 1.267 304 I CB 1.102 39.047 38.000 -0.093 0.000 1.447 304 I HN 0.189 nan 8.210 nan 0.000 0.509 305 A N 8.043 130.843 122.820 -0.034 0.000 2.414 305 A HA 0.768 5.103 4.320 0.025 0.000 0.286 305 A C -0.755 176.835 177.584 0.010 0.000 1.073 305 A CA -0.367 51.669 52.037 -0.002 0.000 0.727 305 A CB 0.792 19.809 19.000 0.027 0.000 1.215 305 A HN 0.594 nan 8.150 nan 0.000 0.430 306 I N 2.571 123.148 120.570 0.012 0.000 2.406 306 I HA 0.689 4.874 4.170 0.025 0.000 0.290 306 I C 0.838 176.970 176.117 0.025 0.000 0.999 306 I CA 0.403 61.715 61.300 0.021 0.000 1.124 306 I CB 1.856 39.869 38.000 0.023 0.000 1.289 306 I HN 1.182 nan 8.210 nan 0.000 0.441 307 G N 5.445 114.261 108.800 0.027 0.000 2.416 307 G HA2 -0.217 3.758 3.960 0.025 0.000 0.203 307 G HA3 -0.217 3.758 3.960 0.025 0.000 0.203 307 G C -0.749 174.164 174.900 0.023 0.000 1.227 307 G CA -0.740 44.375 45.100 0.026 0.000 1.041 307 G HN 0.596 nan 8.290 nan 0.000 0.546 308 N N 0.929 119.641 118.700 0.019 0.000 2.482 308 N HA 0.503 5.258 4.740 0.025 0.000 0.242 308 N C -0.491 175.029 175.510 0.016 0.000 1.100 308 N CA 0.147 53.206 53.050 0.015 0.000 0.946 308 N CB -0.517 37.976 38.487 0.010 0.000 1.227 308 N HN 0.753 nan 8.380 nan 0.000 0.508 309 c N 3.156 121.769 118.600 0.022 0.000 2.707 309 c HA 0.596 5.181 4.570 0.025 0.000 0.313 309 c C -2.033 172.073 174.090 0.027 0.000 1.209 309 c CA -1.187 55.160 56.329 0.031 0.000 1.635 309 c CB 1.612 44.149 42.510 0.046 0.000 2.206 309 c HN 0.576 nan 8.230 nan 0.000 0.485 310 P HA 0.167 nan 4.420 nan 0.000 0.269 310 P C -0.741 176.617 177.300 0.097 0.000 1.209 310 P CA -0.003 63.111 63.100 0.023 0.000 0.776 310 P CB 0.337 32.058 31.700 0.036 0.000 0.876 311 K N 1.950 122.431 120.400 0.134 0.000 2.298 311 K HA 0.107 4.442 4.320 0.025 0.000 0.280 311 K C -0.102 176.660 176.600 0.271 0.000 1.032 311 K CA -0.327 56.093 56.287 0.220 0.000 0.958 311 K CB 0.173 32.831 32.500 0.264 0.000 0.978 311 K HN 0.429 nan 8.250 nan 0.000 0.472 312 Y N 3.293 123.662 120.300 0.114 0.000 2.526 312 Y HA 0.126 4.692 4.550 0.026 0.000 0.330 312 Y C -0.049 175.888 175.900 0.062 0.000 1.156 312 Y CA -0.191 57.959 58.100 0.083 0.000 1.419 312 Y CB 0.408 38.896 38.460 0.047 0.000 1.250 312 Y HN 0.362 nan 8.280 nan 0.000 0.540 313 V N 3.219 122.691 119.914 -0.736 0.000 3.158 313 V HA 0.532 4.667 4.120 0.025 0.000 0.311 313 V C 0.207 175.811 176.094 -0.816 0.000 1.181 313 V CA -1.130 60.807 62.300 -0.606 0.000 1.054 313 V CB 2.276 33.859 31.823 -0.400 0.000 1.085 313 V HN 0.749 nan 8.190 nan 0.000 0.446 314 K N -0.759 119.387 120.400 -0.423 0.000 2.314 314 K HA 0.188 4.523 4.320 0.025 0.000 0.198 314 K C 0.332 176.822 176.600 -0.183 0.000 1.045 314 K CA 0.370 56.501 56.287 -0.261 0.000 0.988 314 K CB 0.091 32.519 32.500 -0.119 0.000 0.783 314 K HN 0.735 nan 8.250 nan 0.000 0.484 315 Q N -0.552 119.135 119.800 -0.188 0.000 2.352 315 Q HA 0.126 4.481 4.340 0.025 0.000 0.260 315 Q C 1.028 176.974 176.000 -0.090 0.000 0.976 315 Q CA 0.113 55.844 55.803 -0.120 0.000 0.881 315 Q CB 1.148 29.811 28.738 -0.125 0.000 1.235 315 Q HN 0.245 nan 8.270 nan 0.000 0.419 316 G N 0.215 108.988 108.800 -0.046 0.000 2.939 316 G HA2 0.114 4.089 3.960 0.025 0.000 0.210 316 G HA3 0.114 4.089 3.960 0.025 0.000 0.210 316 G C 0.056 174.953 174.900 -0.005 0.000 1.160 316 G CA 0.112 45.202 45.100 -0.017 0.000 0.770 316 G HN 0.440 nan 8.290 nan 0.000 0.543 317 S N -0.721 114.971 115.700 -0.013 0.000 2.562 317 S HA 0.602 5.087 4.470 0.025 0.000 0.274 317 S C -1.633 172.964 174.600 -0.006 0.000 1.160 317 S CA -0.620 57.580 58.200 0.001 0.000 0.933 317 S CB 0.839 64.042 63.200 0.005 0.000 1.100 317 S HN 0.076 nan 8.310 nan 0.000 0.468 318 L N 4.994 126.226 121.223 0.015 0.000 2.471 318 L HA 0.500 4.855 4.340 0.025 0.000 0.263 318 L C -0.693 176.198 176.870 0.035 0.000 0.985 318 L CA -0.506 54.344 54.840 0.017 0.000 0.868 318 L CB 1.644 43.715 42.059 0.019 0.000 1.203 318 L HN 0.512 nan 8.230 nan 0.000 0.429 319 M N 4.093 123.702 119.600 0.016 0.000 2.120 319 M HA 0.295 4.790 4.480 0.025 0.000 0.354 319 M C -0.457 175.852 176.300 0.014 0.000 1.287 319 M CA -0.554 54.754 55.300 0.012 0.000 1.103 319 M CB 1.405 34.001 32.600 -0.006 0.000 1.623 319 M HN 0.316 nan 8.290 nan 0.000 0.471 320 L N 3.782 125.018 121.223 0.022 0.000 2.265 320 L HA 0.557 4.912 4.340 0.025 0.000 0.288 320 L C 0.187 177.061 176.870 0.007 0.000 1.058 320 L CA -0.073 54.778 54.840 0.020 0.000 0.809 320 L CB 0.882 42.958 42.059 0.028 0.000 1.179 320 L HN 0.836 nan 8.230 nan 0.000 0.429 321 A N 3.123 125.942 122.820 -0.000 0.000 2.511 321 A HA 0.420 4.755 4.320 0.025 0.000 0.242 321 A C 0.859 178.443 177.584 0.001 0.000 1.069 321 A CA 0.521 52.555 52.037 -0.006 0.000 0.763 321 A CB -0.156 18.836 19.000 -0.015 0.000 1.001 321 A HN 0.913 nan 8.150 nan 0.000 0.498 322 T N -0.475 114.082 114.554 0.004 0.000 3.275 322 T HA 0.549 4.914 4.350 0.025 0.000 0.298 322 T C 0.394 175.107 174.700 0.021 0.000 0.988 322 T CA 0.326 62.432 62.100 0.011 0.000 0.936 322 T CB -0.113 68.763 68.868 0.013 0.000 1.159 322 T HN 1.512 nan 8.240 nan 0.000 0.519 323 G N 1.665 110.474 108.800 0.014 0.000 2.682 323 G HA2 0.612 4.587 3.960 0.025 0.000 0.290 323 G HA3 0.612 4.587 3.960 0.025 0.000 0.290 323 G C -0.465 174.426 174.900 -0.014 0.000 1.425 323 G CA -1.242 43.873 45.100 0.024 0.000 0.807 323 G HN 0.522 nan 8.290 nan 0.000 0.482 324 M N 0.021 119.600 119.600 -0.036 0.000 2.103 324 M HA 0.525 5.020 4.480 0.025 0.000 0.291 324 M C 0.376 176.611 176.300 -0.107 0.000 1.216 324 M CA -0.251 54.995 55.300 -0.091 0.000 1.132 324 M CB 0.551 33.064 32.600 -0.146 0.000 1.396 324 M HN 0.283 nan 8.290 nan 0.000 0.479 325 R N 1.990 122.417 120.500 -0.122 0.000 2.585 325 R HA 0.023 4.378 4.340 0.025 0.000 0.275 325 R C -0.708 175.538 176.300 -0.090 0.000 1.018 325 R CA 0.185 56.227 56.100 -0.097 0.000 1.072 325 R CB -0.234 30.012 30.300 -0.091 0.000 0.953 325 R HN 0.657 nan 8.270 nan 0.000 0.419 326 N N 2.826 121.492 118.700 -0.056 0.000 2.439 326 N HA 0.182 4.937 4.740 0.025 0.000 0.249 326 N C -1.213 174.297 175.510 -0.000 0.000 1.003 326 N CA -0.293 52.736 53.050 -0.035 0.000 0.942 326 N CB 0.514 38.979 38.487 -0.037 0.000 1.115 326 N HN 0.356 nan 8.380 nan 0.000 0.505 327 I N 5.741 126.335 120.570 0.040 0.000 2.668 327 I HA 0.315 4.500 4.170 0.025 0.000 0.276 327 I C -1.618 174.514 176.117 0.026 0.000 1.139 327 I CA -1.401 59.927 61.300 0.046 0.000 1.133 327 I CB 1.648 39.697 38.000 0.082 0.000 1.327 327 I HN 0.512 nan 8.210 nan 0.000 0.520 328 P HA 0.111 nan 4.420 nan 0.000 0.225 328 P C 0.855 178.153 177.300 -0.004 0.000 1.156 328 P CA 0.451 63.550 63.100 -0.002 0.000 0.787 328 P CB 0.414 32.115 31.700 0.002 0.000 0.802 329 G N 0.000 108.802 108.800 0.003 0.000 5.446 329 G HA2 0.000 3.975 3.960 0.025 0.000 0.244 329 G HA3 0.000 3.975 3.960 0.025 0.000 0.244 329 G CA 0.000 45.101 45.100 0.001 0.000 0.502 329 G HN 0.000 nan 8.290 nan 0.000 0.925