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 2jan_1_C DATA FIRST_RESID 5 DATA SEQUENCE ILDELSWRGL IAQSTDLDTL AAEAQRGPMT VYAGFDPTAP SLHAGHLVPL DATA SEQUENCE LTLRRFQRAG HRPIVLAGGA TGMIGDXXXX XXXXXXXXXT VAEWTERIRG DATA SEQUENCE QLERFVDFDD SPMGAIVENN LEWTGSLSAI EFLRDIGKHF SVNVMLARDT DATA SEQUENCE IRRRLAGEGI SYTEFSYLLL QANDYVELHR RHGCTLQIGG ADQWGNIIAG DATA SEQUENCE VRLVRQKLGA TVHALTVPLV TAADGTKFGK STGGGSLWLD PQMTSPYAWY DATA SEQUENCE QYFVNTADAD VIRYLRWFTF LSADELAELE QATAQRPQQR AAQRRLASEL DATA SEQUENCE TVLVHGEAAT AAVEHASRAL FGRGELARLD EATLAAALRE TTVAELKPGS DATA SEQUENCE PDGIVDLLVA SGLSASKGAA RRTIHEGGVS VNNIRVDNEE WVPQSSDFLH DATA SEQUENCE GRWLVLRRGK RSIAGVERIG 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 5 I HA 0.000 nan 4.170 nan 0.000 0.288 5 I C 0.000 176.026 176.117 -0.151 0.000 1.063 5 I CA 0.000 61.246 61.300 -0.090 0.000 1.566 5 I CB 0.000 37.960 38.000 -0.066 0.000 1.214 6 L N 2.340 123.515 121.223 -0.080 0.000 2.265 6 L HA -0.046 4.294 4.340 0.000 0.000 0.215 6 L C 1.775 178.622 176.870 -0.039 0.000 1.117 6 L CA 1.923 56.726 54.840 -0.062 0.000 0.782 6 L CB -1.186 40.865 42.059 -0.014 0.000 0.914 6 L HN 0.383 nan 8.230 nan 0.000 0.441 7 D N -0.855 119.547 120.400 0.002 0.000 2.103 7 D HA -0.123 4.517 4.640 0.000 0.000 0.199 7 D C 2.036 178.404 176.300 0.114 0.000 0.978 7 D CA 0.662 54.705 54.000 0.071 0.000 0.829 7 D CB 0.137 40.995 40.800 0.097 0.000 0.981 7 D HN 0.273 nan 8.370 nan 0.000 0.464 8 E N 1.034 121.263 120.200 0.047 0.000 2.021 8 E HA -0.140 4.210 4.350 0.000 0.000 0.200 8 E C 2.534 178.855 176.600 -0.465 0.000 1.015 8 E CA 0.506 56.842 56.400 -0.107 0.000 0.824 8 E CB -0.574 29.065 29.700 -0.101 0.000 0.762 8 E HN 0.308 nan 8.360 nan 0.000 0.454 9 L N 0.830 121.846 121.223 -0.346 0.000 2.189 9 L HA -0.212 4.128 4.340 0.000 0.000 0.214 9 L C 2.712 179.397 176.870 -0.308 0.000 1.097 9 L CA 1.140 55.761 54.840 -0.365 0.000 0.764 9 L CB -0.450 41.447 42.059 -0.269 0.000 0.900 9 L HN 0.103 nan 8.230 nan 0.000 0.436 10 S N -0.055 115.532 115.700 -0.188 0.000 2.377 10 S HA -0.139 4.331 4.470 0.000 0.000 0.223 10 S C 1.857 176.449 174.600 -0.013 0.000 1.030 10 S CA 0.834 58.987 58.200 -0.077 0.000 0.970 10 S CB -0.254 62.945 63.200 -0.003 0.000 0.830 10 S HN 0.621 nan 8.310 nan 0.000 0.473 11 W N 1.706 122.991 121.300 -0.025 0.000 2.402 11 W HA 0.029 4.689 4.660 0.000 0.000 0.286 11 W C 1.530 178.056 176.519 0.011 0.000 1.221 11 W CA 0.344 57.684 57.345 -0.008 0.000 1.257 11 W CB -0.750 28.703 29.460 -0.011 0.000 1.120 11 W HN 0.249 nan 8.180 nan 0.000 0.551 12 R N 0.987 121.079 120.500 -0.680 0.000 2.280 12 R HA 0.059 4.399 4.340 0.000 0.000 0.207 12 R C 1.807 178.051 176.300 -0.092 0.000 1.043 12 R CA 0.953 56.691 56.100 -0.603 0.000 1.006 12 R CB -0.706 29.061 30.300 -0.889 0.000 0.885 12 R HN 0.386 nan 8.270 nan 0.000 0.467 13 G N 0.904 109.659 108.800 -0.075 0.000 2.160 13 G HA2 -0.255 3.705 3.960 0.000 0.000 0.244 13 G HA3 -0.255 3.705 3.960 0.000 0.000 0.244 13 G C 0.463 175.264 174.900 -0.165 0.000 1.022 13 G CA -0.073 45.046 45.100 0.030 0.000 0.741 13 G HN 0.304 nan 8.290 nan 0.000 0.508 14 L N -0.366 120.645 121.223 -0.355 0.000 2.567 14 L HA 0.364 4.704 4.340 0.000 0.000 0.225 14 L C 1.359 178.014 176.870 -0.358 0.000 1.119 14 L CA 0.193 54.703 54.840 -0.550 0.000 0.871 14 L CB 0.182 41.915 42.059 -0.543 0.000 1.036 14 L HN 0.317 nan 8.230 nan 0.000 0.459 15 I N 0.292 120.726 120.570 -0.227 0.000 2.256 15 I HA 0.109 4.279 4.170 0.000 0.000 0.294 15 I C 1.351 177.384 176.117 -0.139 0.000 1.127 15 I CA -0.342 60.869 61.300 -0.149 0.000 1.247 15 I CB 1.105 39.049 38.000 -0.093 0.000 1.460 15 I HN 0.037 nan 8.210 nan 0.000 0.511 16 A N 5.283 128.009 122.820 -0.158 0.000 1.845 16 A HA -0.104 4.216 4.320 0.000 0.000 0.215 16 A C 1.060 178.542 177.584 -0.170 0.000 1.195 16 A CA 1.424 53.372 52.037 -0.149 0.000 0.616 16 A CB -0.005 18.908 19.000 -0.144 0.000 0.832 16 A HN 0.707 nan 8.150 nan 0.000 0.443 17 Q N -2.243 117.451 119.800 -0.176 0.000 2.501 17 Q HA 0.555 4.895 4.340 0.000 0.000 0.288 17 Q C -1.584 174.358 176.000 -0.098 0.000 1.051 17 Q CA -0.169 55.450 55.803 -0.307 0.000 0.788 17 Q CB 2.112 30.407 28.738 -0.738 0.000 1.469 17 Q HN 0.627 nan 8.270 nan 0.000 0.416 18 S N -0.878 114.783 115.700 -0.065 0.000 2.597 18 S HA 0.433 4.903 4.470 0.000 0.000 0.274 18 S C -0.395 174.368 174.600 0.273 0.000 1.132 18 S CA -0.494 57.825 58.200 0.198 0.000 0.835 18 S CB 0.773 64.031 63.200 0.098 0.000 1.092 18 S HN 0.798 nan 8.310 nan 0.000 0.457 19 T N -1.173 113.575 114.554 0.322 0.000 2.689 19 T HA 0.386 4.736 4.350 0.000 0.000 0.308 19 T C 0.062 174.867 174.700 0.174 0.000 1.021 19 T CA -0.062 62.185 62.100 0.246 0.000 0.973 19 T CB -0.414 68.577 68.868 0.206 0.000 1.113 19 T HN 0.799 nan 8.240 nan 0.000 0.522 20 D N 0.140 120.629 120.400 0.148 0.000 2.581 20 D HA -0.037 4.603 4.640 0.000 0.000 0.238 20 D C 0.998 177.354 176.300 0.094 0.000 1.145 20 D CA -0.131 53.932 54.000 0.105 0.000 0.866 20 D CB 0.207 41.062 40.800 0.093 0.000 1.151 20 D HN 0.399 nan 8.370 nan 0.000 0.500 21 L N 3.926 125.181 121.223 0.053 0.000 2.109 21 L HA -0.082 4.258 4.340 0.000 0.000 0.207 21 L C 1.361 178.240 176.870 0.014 0.000 1.086 21 L CA 1.589 56.445 54.840 0.027 0.000 0.760 21 L CB -0.676 41.393 42.059 0.017 0.000 0.910 21 L HN 0.596 nan 8.230 nan 0.000 0.437 22 D N -0.992 119.422 120.400 0.024 0.000 2.117 22 D HA -0.128 4.512 4.640 0.000 0.000 0.198 22 D C 1.914 178.228 176.300 0.023 0.000 0.982 22 D CA 1.657 55.670 54.000 0.021 0.000 0.828 22 D CB 0.063 40.877 40.800 0.024 0.000 0.967 22 D HN 0.284 nan 8.370 nan 0.000 0.464 23 T N 1.648 116.231 114.554 0.049 0.000 2.833 23 T HA -0.138 4.212 4.350 0.000 0.000 0.269 23 T C 1.886 176.595 174.700 0.015 0.000 1.054 23 T CA 0.474 62.625 62.100 0.085 0.000 1.135 23 T CB -0.171 68.798 68.868 0.168 0.000 0.869 23 T HN 0.022 nan 8.240 nan 0.000 0.466 24 L N 1.599 122.759 121.223 -0.106 0.000 2.044 24 L HA 0.263 4.604 4.340 0.000 0.000 0.205 24 L C 2.644 179.396 176.870 -0.196 0.000 1.075 24 L CA 1.806 56.406 54.840 -0.400 0.000 0.747 24 L CB -1.357 40.535 42.059 -0.279 0.000 0.903 24 L HN 0.195 nan 8.230 nan 0.000 0.435 25 A N -0.091 122.685 122.820 -0.075 0.000 1.892 25 A HA -0.189 4.131 4.320 0.000 0.000 0.218 25 A C 2.484 180.065 177.584 -0.005 0.000 1.188 25 A CA 2.250 54.275 52.037 -0.020 0.000 0.631 25 A CB -1.339 17.662 19.000 0.002 0.000 0.822 25 A HN 0.617 nan 8.150 nan 0.000 0.447 26 A N -0.191 122.626 122.820 -0.004 0.000 1.917 26 A HA -0.251 4.069 4.320 0.000 0.000 0.219 26 A C 1.990 179.587 177.584 0.021 0.000 1.182 26 A CA 2.359 54.406 52.037 0.016 0.000 0.633 26 A CB -0.586 18.430 19.000 0.027 0.000 0.819 26 A HN 0.657 nan 8.150 nan 0.000 0.448 27 E N -0.039 120.156 120.200 -0.009 0.000 2.150 27 E HA -0.007 4.343 4.350 0.000 0.000 0.193 27 E C 1.931 178.549 176.600 0.031 0.000 0.985 27 E CA 1.420 57.825 56.400 0.009 0.000 0.814 27 E CB -0.379 29.298 29.700 -0.037 0.000 0.752 27 E HN 0.496 nan 8.360 nan 0.000 0.466 28 A N 1.319 124.151 122.820 0.020 0.000 1.845 28 A HA -0.278 4.042 4.320 0.000 0.000 0.215 28 A C 2.262 179.958 177.584 0.185 0.000 1.195 28 A CA 2.032 54.137 52.037 0.114 0.000 0.616 28 A CB -0.991 18.073 19.000 0.106 0.000 0.832 28 A HN 0.553 nan 8.150 nan 0.000 0.443 29 Q N -0.720 119.147 119.800 0.111 0.000 2.124 29 Q HA -0.205 4.135 4.340 0.000 0.000 0.202 29 Q C 2.148 178.195 176.000 0.078 0.000 0.977 29 Q CA 1.479 57.334 55.803 0.087 0.000 0.850 29 Q CB -0.492 28.280 28.738 0.057 0.000 0.901 29 Q HN 0.618 nan 8.270 nan 0.000 0.429 30 R N 1.133 121.677 120.500 0.073 0.000 2.153 30 R HA -0.123 4.218 4.340 0.000 0.000 0.252 30 R C 0.487 176.831 176.300 0.073 0.000 1.158 30 R CA 1.446 57.585 56.100 0.065 0.000 0.975 30 R CB -0.088 30.250 30.300 0.064 0.000 0.871 30 R HN 0.503 nan 8.270 nan 0.000 0.450 31 G N -1.685 107.176 108.800 0.102 0.000 2.321 31 G HA2 0.070 4.030 3.960 0.000 0.000 0.298 31 G HA3 0.070 4.030 3.960 0.000 0.000 0.298 31 G C -2.967 172.037 174.900 0.173 0.000 1.385 31 G CA -1.121 44.041 45.100 0.104 0.000 0.856 31 G HN -0.107 nan 8.290 nan 0.000 0.584 32 P HA 0.131 nan 4.420 nan 0.000 0.259 32 P C 0.499 177.970 177.300 0.284 0.000 1.211 32 P CA 0.439 63.689 63.100 0.250 0.000 0.810 32 P CB 0.054 31.818 31.700 0.106 0.000 0.815 33 M N 2.038 121.874 119.600 0.394 0.000 2.207 33 M HA 0.122 4.602 4.480 0.000 0.000 0.311 33 M C 0.721 177.095 176.300 0.124 0.000 1.127 33 M CA 0.780 56.159 55.300 0.132 0.000 1.181 33 M CB 0.101 32.635 32.600 -0.111 0.000 1.409 33 M HN 0.195 nan 8.290 nan 0.000 0.461 34 T N 1.854 116.453 114.554 0.074 0.000 2.788 34 T HA 0.493 4.843 4.350 0.000 0.000 0.296 34 T C -0.387 174.322 174.700 0.016 0.000 1.009 34 T CA -0.645 61.493 62.100 0.064 0.000 0.949 34 T CB 0.529 69.450 68.868 0.088 0.000 0.946 34 T HN 0.347 nan 8.240 nan 0.000 0.453 35 V N 4.730 124.608 119.914 -0.059 0.000 2.617 35 V HA 0.646 4.766 4.120 0.000 0.000 0.298 35 V C -0.516 175.562 176.094 -0.027 0.000 1.048 35 V CA -0.933 61.261 62.300 -0.177 0.000 0.964 35 V CB 0.881 32.417 31.823 -0.478 0.000 1.004 35 V HN 0.873 nan 8.190 nan 0.000 0.466 36 Y N 1.907 122.097 120.300 -0.184 0.000 2.605 36 Y HA 0.929 5.479 4.550 0.000 0.000 0.343 36 Y C -0.550 175.279 175.900 -0.118 0.000 1.036 36 Y CA -1.226 56.803 58.100 -0.118 0.000 1.065 36 Y CB 1.937 40.334 38.460 -0.104 0.000 1.288 36 Y HN 0.808 nan 8.280 nan 0.000 0.481 37 A N 1.524 124.407 122.820 0.104 0.000 2.488 37 A HA 0.724 5.044 4.320 0.000 0.000 0.298 37 A C -0.495 177.192 177.584 0.171 0.000 1.044 37 A CA -0.393 51.619 52.037 -0.042 0.000 0.693 37 A CB 0.951 19.957 19.000 0.011 0.000 1.272 37 A HN 1.512 nan 8.150 nan 0.000 0.402 38 G N 0.032 108.794 108.800 -0.063 0.000 2.448 38 G HA2 0.626 4.586 3.960 0.000 0.000 0.285 38 G HA3 0.626 4.586 3.960 0.000 0.000 0.285 38 G C -1.050 173.669 174.900 -0.302 0.000 1.176 38 G CA -0.270 44.851 45.100 0.035 0.000 0.852 38 G HN 0.451 nan 8.290 nan 0.000 0.530 39 F N -0.565 119.421 119.950 0.059 0.000 2.581 39 F HA 0.264 4.791 4.527 0.000 0.000 0.311 39 F C -0.412 175.345 175.800 -0.071 0.000 1.113 39 F CA -1.034 56.986 58.000 0.034 0.000 0.935 39 F CB 2.580 41.635 39.000 0.091 0.000 1.232 39 F HN 0.484 nan 8.300 nan 0.000 0.445 40 D N 4.728 125.207 120.400 0.132 0.000 2.325 40 D HA 0.257 4.898 4.640 0.000 0.000 0.251 40 D C -1.780 174.439 176.300 -0.135 0.000 1.196 40 D CA -1.789 52.217 54.000 0.011 0.000 0.866 40 D CB 1.259 42.117 40.800 0.095 0.000 1.101 40 D HN 0.164 nan 8.370 nan 0.000 0.476 41 P HA -0.001 nan 4.420 nan 0.000 0.255 41 P C 0.958 177.954 177.300 -0.506 0.000 1.248 41 P CA 0.266 62.662 63.100 -1.173 0.000 0.807 41 P CB 0.129 30.883 31.700 -1.577 0.000 1.150 42 T N -2.322 112.128 114.554 -0.172 0.000 2.867 42 T HA 0.063 4.413 4.350 0.000 0.000 0.268 42 T C 1.177 175.940 174.700 0.104 0.000 1.057 42 T CA 0.477 62.562 62.100 -0.026 0.000 1.136 42 T CB -0.934 67.933 68.868 -0.002 0.000 0.874 42 T HN 0.135 nan 8.240 nan 0.000 0.466 43 A N 3.442 126.390 122.820 0.213 0.000 2.498 43 A HA 0.404 4.724 4.320 0.000 0.000 0.239 43 A C -0.463 177.321 177.584 0.332 0.000 1.068 43 A CA -1.022 51.221 52.037 0.342 0.000 0.766 43 A CB 0.202 19.537 19.000 0.558 0.000 1.003 43 A HN 0.369 nan 8.150 nan 0.000 0.497 44 P HA 0.049 nan 4.420 nan 0.000 0.236 44 P C 0.280 177.587 177.300 0.011 0.000 1.177 44 P CA 0.950 64.066 63.100 0.028 0.000 0.773 44 P CB 0.399 31.992 31.700 -0.178 0.000 0.878 45 S N -1.253 114.536 115.700 0.149 0.000 2.588 45 S HA 0.464 4.934 4.470 0.000 0.000 0.269 45 S C -1.289 173.644 174.600 0.554 0.000 1.157 45 S CA -0.800 57.546 58.200 0.244 0.000 0.824 45 S CB 0.352 63.673 63.200 0.201 0.000 1.126 45 S HN -0.120 nan 8.310 nan 0.000 0.464 46 L N 3.478 124.914 121.223 0.355 0.000 2.371 46 L HA 0.503 4.843 4.340 0.000 0.000 0.272 46 L C 0.278 177.499 176.870 0.585 0.000 1.124 46 L CA -0.422 54.668 54.840 0.416 0.000 0.816 46 L CB 0.559 42.674 42.059 0.093 0.000 1.129 46 L HN 0.903 nan 8.230 nan 0.000 0.448 47 H N 0.426 119.840 119.070 0.574 0.000 2.869 47 H HA 0.587 5.143 4.556 0.000 0.000 0.342 47 H C 0.716 176.155 175.328 0.184 0.000 1.250 47 H CA -0.399 55.762 56.048 0.188 0.000 1.217 47 H CB 0.844 30.383 29.762 -0.373 0.000 1.917 47 H HN 0.478 nan 8.280 nan 0.000 0.586 48 A N 0.133 123.112 122.820 0.266 0.000 2.009 48 A HA -0.191 4.129 4.320 0.000 0.000 0.222 48 A C 2.283 179.992 177.584 0.208 0.000 1.175 48 A CA 2.227 54.353 52.037 0.148 0.000 0.651 48 A CB -1.830 16.890 19.000 -0.467 0.000 0.815 48 A HN 0.927 nan 8.150 nan 0.000 0.459 49 G N -2.014 106.842 108.800 0.093 0.000 2.509 49 G HA2 -0.111 3.849 3.960 0.000 0.000 0.218 49 G HA3 -0.111 3.849 3.960 0.000 0.000 0.218 49 G C 1.127 175.927 174.900 -0.167 0.000 1.124 49 G CA 1.016 46.111 45.100 -0.008 0.000 0.776 49 G HN 0.816 nan 8.290 nan 0.000 0.547 50 H N -0.602 118.436 119.070 -0.053 0.000 2.539 50 H HA 0.300 4.856 4.556 0.000 0.000 0.267 50 H C 2.288 177.679 175.328 0.106 0.000 0.982 50 H CA -0.327 55.743 56.048 0.037 0.000 1.146 50 H CB 0.305 30.110 29.762 0.070 0.000 1.382 50 H HN 0.212 nan 8.280 nan 0.000 0.577 51 L N -0.273 121.130 121.223 0.300 0.000 2.046 51 L HA -0.164 4.176 4.340 0.000 0.000 0.208 51 L C 1.972 179.081 176.870 0.398 0.000 1.077 51 L CA 0.779 55.860 54.840 0.401 0.000 0.747 51 L CB -0.147 42.191 42.059 0.466 0.000 0.896 51 L HN 0.229 nan 8.230 nan 0.000 0.432 52 V N -0.183 119.930 119.914 0.332 0.000 2.255 52 V HA -0.120 4.000 4.120 0.000 0.000 0.243 52 V C -0.171 175.987 176.094 0.106 0.000 1.038 52 V CA 1.646 64.059 62.300 0.189 0.000 1.008 52 V CB -1.477 30.352 31.823 0.010 0.000 0.645 52 V HN 0.264 nan 8.190 nan 0.000 0.449 53 P HA -0.217 nan 4.420 nan 0.000 0.216 53 P C 1.978 179.363 177.300 0.142 0.000 1.167 53 P CA 1.817 64.954 63.100 0.062 0.000 0.914 53 P CB -0.114 31.588 31.700 0.004 0.000 0.793 54 L N -1.876 119.437 121.223 0.151 0.000 2.042 54 L HA -0.188 4.152 4.340 0.000 0.000 0.210 54 L C 2.581 179.598 176.870 0.245 0.000 1.076 54 L CA 1.377 56.232 54.840 0.025 0.000 0.749 54 L CB -0.883 40.787 42.059 -0.648 0.000 0.893 54 L HN -0.015 nan 8.230 nan 0.000 0.432 55 L N -0.962 120.486 121.223 0.374 0.000 2.093 55 L HA -0.182 4.158 4.340 0.000 0.000 0.208 55 L C 2.559 179.601 176.870 0.286 0.000 1.085 55 L CA 1.323 56.439 54.840 0.460 0.000 0.755 55 L CB -0.610 41.706 42.059 0.429 0.000 0.904 55 L HN 0.278 nan 8.230 nan 0.000 0.435 56 T N 0.027 114.694 114.554 0.189 0.000 2.821 56 T HA -0.125 4.225 4.350 0.000 0.000 0.267 56 T C 1.964 176.857 174.700 0.322 0.000 1.046 56 T CA 0.959 63.157 62.100 0.164 0.000 1.139 56 T CB -0.147 68.784 68.868 0.104 0.000 0.871 56 T HN 0.183 nan 8.240 nan 0.000 0.454 57 L N 0.700 122.092 121.223 0.281 0.000 2.012 57 L HA -0.122 4.218 4.340 0.000 0.000 0.210 57 L C 2.890 179.947 176.870 0.313 0.000 1.073 57 L CA 1.505 56.515 54.840 0.284 0.000 0.748 57 L CB -0.522 41.648 42.059 0.185 0.000 0.891 57 L HN 0.192 nan 8.230 nan 0.000 0.431 58 R N 0.439 121.128 120.500 0.315 0.000 2.103 58 R HA -0.213 4.127 4.340 0.000 0.000 0.242 58 R C 2.428 178.921 176.300 0.321 0.000 1.142 58 R CA 1.675 57.964 56.100 0.314 0.000 0.960 58 R CB -0.144 30.393 30.300 0.395 0.000 0.858 58 R HN 0.288 nan 8.270 nan 0.000 0.439 59 R N -0.825 119.866 120.500 0.317 0.000 2.096 59 R HA -0.131 4.209 4.340 0.000 0.000 0.235 59 R C 2.211 178.561 176.300 0.084 0.000 1.127 59 R CA 1.722 57.935 56.100 0.187 0.000 0.968 59 R CB -0.350 29.921 30.300 -0.048 0.000 0.861 59 R HN 0.244 nan 8.270 nan 0.000 0.440 60 F N 0.963 121.004 119.950 0.152 0.000 2.234 60 F HA -0.155 4.372 4.527 0.000 0.000 0.299 60 F C 2.763 178.685 175.800 0.204 0.000 1.087 60 F CA 1.324 59.448 58.000 0.206 0.000 1.340 60 F CB -0.176 38.911 39.000 0.145 0.000 1.031 60 F HN 0.071 nan 8.300 nan 0.000 0.500 61 Q N 0.073 120.054 119.800 0.301 0.000 2.049 61 Q HA -0.146 4.194 4.340 0.000 0.000 0.198 61 Q C 2.422 178.477 176.000 0.092 0.000 0.971 61 Q CA 1.108 57.013 55.803 0.169 0.000 0.833 61 Q CB -0.006 28.801 28.738 0.114 0.000 0.896 61 Q HN 0.277 nan 8.270 nan 0.000 0.434 62 R N -0.260 120.301 120.500 0.101 0.000 2.103 62 R HA -0.136 4.204 4.340 0.000 0.000 0.242 62 R C 2.015 178.333 176.300 0.030 0.000 1.142 62 R CA 1.232 57.369 56.100 0.061 0.000 0.960 62 R CB -0.333 30.029 30.300 0.104 0.000 0.858 62 R HN 0.233 nan 8.270 nan 0.000 0.439 63 A N -0.259 122.580 122.820 0.032 0.000 2.239 63 A HA 0.113 4.433 4.320 0.000 0.000 0.209 63 A C 1.338 178.794 177.584 -0.213 0.000 1.171 63 A CA 1.099 53.113 52.037 -0.039 0.000 0.768 63 A CB -0.141 18.860 19.000 0.002 0.000 0.790 63 A HN 0.537 nan 8.150 nan 0.000 0.478 64 G N -1.970 106.726 108.800 -0.173 0.000 2.163 64 G HA2 -0.161 3.799 3.960 0.000 0.000 0.213 64 G HA3 -0.161 3.799 3.960 0.000 0.000 0.213 64 G C 0.066 174.812 174.900 -0.256 0.000 0.991 64 G CA 0.137 45.102 45.100 -0.224 0.000 0.653 64 G HN 0.661 nan 8.290 nan 0.000 0.518 65 H N -0.304 118.838 119.070 0.120 0.000 2.517 65 H HA 0.603 5.159 4.556 0.000 0.000 0.346 65 H C 0.501 175.880 175.328 0.086 0.000 1.222 65 H CA -0.266 55.857 56.048 0.124 0.000 1.314 65 H CB 1.044 30.931 29.762 0.209 0.000 1.609 65 H HN 0.308 nan 8.280 nan 0.000 0.571 66 R N 1.948 122.567 120.500 0.198 0.000 2.294 66 R HA 0.288 4.628 4.340 0.000 0.000 0.319 66 R C -2.809 173.527 176.300 0.059 0.000 0.984 66 R CA -1.701 54.453 56.100 0.089 0.000 0.861 66 R CB 1.047 31.383 30.300 0.060 0.000 1.104 66 R HN 0.369 nan 8.270 nan 0.000 0.451 67 P HA 0.320 nan 4.420 nan 0.000 0.298 67 P C -0.854 176.432 177.300 -0.024 0.000 1.314 67 P CA -0.423 62.682 63.100 0.007 0.000 0.854 67 P CB 1.597 33.309 31.700 0.020 0.000 1.019 68 I N 2.517 123.105 120.570 0.028 0.000 2.433 68 I HA 0.305 4.475 4.170 0.000 0.000 0.292 68 I C -0.131 176.068 176.117 0.137 0.000 1.001 68 I CA -1.236 60.083 61.300 0.032 0.000 1.119 68 I CB 2.392 40.387 38.000 -0.008 0.000 1.289 68 I HN -0.034 nan 8.210 nan 0.000 0.438 69 V N 6.952 126.944 119.914 0.131 0.000 2.348 69 V HA 0.202 4.322 4.120 0.000 0.000 0.270 69 V C -0.176 176.061 176.094 0.238 0.000 1.037 69 V CA -0.521 61.911 62.300 0.221 0.000 0.872 69 V CB 1.404 33.259 31.823 0.054 0.000 1.002 69 V HN 0.365 nan 8.190 nan 0.000 0.464 70 L N 6.382 127.798 121.223 0.321 0.000 2.268 70 L HA 0.653 4.993 4.340 0.000 0.000 0.289 70 L C 0.662 177.645 176.870 0.188 0.000 1.064 70 L CA -0.116 54.843 54.840 0.199 0.000 0.824 70 L CB 0.733 42.878 42.059 0.144 0.000 1.202 70 L HN 0.673 nan 8.230 nan 0.000 0.433 71 A N 4.020 126.881 122.820 0.067 0.000 2.404 71 A HA 0.510 4.830 4.320 0.000 0.000 0.273 71 A C 0.912 178.397 177.584 -0.166 0.000 1.144 71 A CA 0.120 52.084 52.037 -0.121 0.000 0.806 71 A CB -0.113 18.767 19.000 -0.200 0.000 1.080 71 A HN 0.955 nan 8.150 nan 0.000 0.509 72 G N 2.298 111.003 108.800 -0.158 0.000 3.213 72 G HA2 0.362 4.322 3.960 0.000 0.000 0.263 72 G HA3 0.362 4.322 3.960 0.000 0.000 0.263 72 G C 0.938 175.736 174.900 -0.170 0.000 0.829 72 G CA 0.346 45.379 45.100 -0.112 0.000 1.983 72 G HN 1.039 nan 8.290 nan 0.000 0.616 73 G N 1.204 109.873 108.800 -0.218 0.000 2.422 73 G HA2 0.007 3.967 3.960 0.000 0.000 0.218 73 G HA3 0.007 3.967 3.960 0.000 0.000 0.218 73 G C 1.918 176.723 174.900 -0.158 0.000 1.140 73 G CA 1.275 46.251 45.100 -0.206 0.000 0.775 73 G HN 0.671 nan 8.290 nan 0.000 0.545 74 A N 0.689 123.415 122.820 -0.158 0.000 1.859 74 A HA -0.129 4.191 4.320 0.000 0.000 0.217 74 A C 2.542 180.083 177.584 -0.071 0.000 1.198 74 A CA 2.751 54.717 52.037 -0.118 0.000 0.629 74 A CB -1.184 17.751 19.000 -0.109 0.000 0.830 74 A HN 0.304 nan 8.150 nan 0.000 0.446 75 T N -0.393 114.144 114.554 -0.029 0.000 2.777 75 T HA 0.014 4.364 4.350 0.000 0.000 0.266 75 T C 1.977 176.641 174.700 -0.061 0.000 1.040 75 T CA 1.306 63.397 62.100 -0.016 0.000 1.141 75 T CB -0.718 68.178 68.868 0.048 0.000 0.868 75 T HN 0.626 nan 8.240 nan 0.000 0.444 76 G N 1.160 109.912 108.800 -0.080 0.000 2.469 76 G HA2 -0.256 3.704 3.960 0.000 0.000 0.220 76 G HA3 -0.256 3.704 3.960 0.000 0.000 0.220 76 G C 1.513 176.368 174.900 -0.075 0.000 1.136 76 G CA 0.891 45.938 45.100 -0.090 0.000 0.759 76 G HN 0.454 nan 8.290 nan 0.000 0.562 77 M N -0.564 118.989 119.600 -0.077 0.000 2.419 77 M HA 0.255 4.735 4.480 0.000 0.000 0.264 77 M C 2.129 178.395 176.300 -0.056 0.000 1.082 77 M CA 0.775 56.036 55.300 -0.066 0.000 1.119 77 M CB 0.009 32.565 32.600 -0.073 0.000 1.398 77 M HN 0.242 nan 8.290 nan 0.000 0.453 78 I N -0.285 120.251 120.570 -0.057 0.000 2.296 78 I HA 0.132 4.302 4.170 0.000 0.000 0.242 78 I C 1.427 177.516 176.117 -0.045 0.000 1.087 78 I CA 0.985 62.254 61.300 -0.051 0.000 1.393 78 I CB -0.293 37.675 38.000 -0.053 0.000 1.093 78 I HN 0.508 nan 8.210 nan 0.000 0.421 79 G N 0.635 109.402 108.800 -0.054 0.000 2.545 79 G HA2 -0.198 3.762 3.960 0.000 0.000 0.216 79 G HA3 -0.198 3.762 3.960 0.000 0.000 0.216 79 G C -0.938 173.929 174.900 -0.055 0.000 1.314 79 G CA -0.020 45.051 45.100 -0.048 0.000 0.906 79 G HN 0.353 nan 8.290 nan 0.000 0.563 95 V N 2.304 122.205 119.914 -0.022 0.000 2.809 95 V HA 0.091 4.212 4.120 0.000 0.000 0.256 95 V C 2.593 178.778 176.094 0.153 0.000 1.080 95 V CA 1.976 64.278 62.300 0.004 0.000 1.102 95 V CB -1.006 30.765 31.823 -0.088 0.000 0.705 95 V HN 0.632 nan 8.190 nan 0.000 0.475 96 A N -0.221 122.655 122.820 0.094 0.000 1.832 96 A HA -0.121 4.199 4.320 0.000 0.000 0.214 96 A C 2.173 179.814 177.584 0.096 0.000 1.242 96 A CA 1.201 53.287 52.037 0.082 0.000 0.603 96 A CB -0.640 18.381 19.000 0.035 0.000 0.902 96 A HN 0.418 nan 8.150 nan 0.000 0.455 97 E N -1.337 118.909 120.200 0.077 0.000 2.136 97 E HA -0.332 4.018 4.350 0.000 0.000 0.208 97 E C 1.685 178.347 176.600 0.103 0.000 1.035 97 E CA 1.902 58.342 56.400 0.067 0.000 0.838 97 E CB -0.311 29.425 29.700 0.061 0.000 0.748 97 E HN 0.728 nan 8.360 nan 0.000 0.459 98 W N 1.222 122.496 121.300 -0.044 0.000 2.298 98 W HA -0.281 4.379 4.660 0.000 0.000 0.328 98 W C 2.504 178.984 176.519 -0.065 0.000 1.259 98 W CA 2.676 59.993 57.345 -0.047 0.000 1.251 98 W CB -0.972 28.465 29.460 -0.038 0.000 1.161 98 W HN -0.024 nan 8.180 nan 0.000 0.466 99 T N 0.927 115.521 114.554 0.068 0.000 2.653 99 T HA -0.302 4.048 4.350 0.000 0.000 0.268 99 T C 1.542 176.092 174.700 -0.249 0.000 1.035 99 T CA 1.994 64.003 62.100 -0.152 0.000 1.154 99 T CB -0.520 68.340 68.868 -0.014 0.000 0.862 99 T HN 0.178 nan 8.240 nan 0.000 0.441 100 E N 0.725 120.834 120.200 -0.152 0.000 2.049 100 E HA -0.141 4.209 4.350 0.000 0.000 0.198 100 E C 2.402 178.883 176.600 -0.197 0.000 1.007 100 E CA 1.203 57.510 56.400 -0.154 0.000 0.809 100 E CB -0.338 29.305 29.700 -0.094 0.000 0.749 100 E HN 0.408 nan 8.360 nan 0.000 0.450 101 R N -0.004 120.373 120.500 -0.205 0.000 2.081 101 R HA -0.103 4.237 4.340 0.000 0.000 0.235 101 R C 2.292 178.410 176.300 -0.304 0.000 1.131 101 R CA 0.936 56.908 56.100 -0.214 0.000 0.960 101 R CB -0.035 30.159 30.300 -0.177 0.000 0.856 101 R HN 0.108 nan 8.270 nan 0.000 0.436 102 I N 0.416 120.690 120.570 -0.495 0.000 2.406 102 I HA -0.163 4.007 4.170 0.000 0.000 0.249 102 I C 2.385 178.236 176.117 -0.443 0.000 1.122 102 I CA 1.000 61.933 61.300 -0.612 0.000 1.431 102 I CB -1.025 36.232 38.000 -1.238 0.000 1.087 102 I HN 0.199 nan 8.210 nan 0.000 0.424 103 R N 1.125 121.378 120.500 -0.412 0.000 2.133 103 R HA -0.190 4.150 4.340 0.000 0.000 0.247 103 R C 2.320 178.458 176.300 -0.271 0.000 1.151 103 R CA 1.888 57.763 56.100 -0.375 0.000 0.971 103 R CB -0.589 29.485 30.300 -0.377 0.000 0.866 103 R HN 0.379 nan 8.270 nan 0.000 0.447 104 G N 0.029 108.700 108.800 -0.216 0.000 2.446 104 G HA2 -0.311 3.649 3.960 0.000 0.000 0.217 104 G HA3 -0.311 3.649 3.960 0.000 0.000 0.217 104 G C 1.198 176.028 174.900 -0.117 0.000 1.168 104 G CA 0.912 45.922 45.100 -0.151 0.000 0.771 104 G HN 0.457 nan 8.290 nan 0.000 0.551 105 Q N -0.257 119.466 119.800 -0.128 0.000 1.994 105 Q HA 0.126 4.466 4.340 0.000 0.000 0.198 105 Q C 2.703 178.756 176.000 0.087 0.000 0.976 105 Q CA 0.754 56.529 55.803 -0.048 0.000 0.828 105 Q CB -0.362 28.327 28.738 -0.082 0.000 0.894 105 Q HN 0.373 nan 8.270 nan 0.000 0.432 106 L N 1.047 122.253 121.223 -0.028 0.000 2.051 106 L HA -0.277 4.063 4.340 0.000 0.000 0.214 106 L C 2.216 179.256 176.870 0.283 0.000 1.076 106 L CA 1.420 56.302 54.840 0.070 0.000 0.758 106 L CB -0.328 41.707 42.059 -0.040 0.000 0.890 106 L HN 0.321 nan 8.230 nan 0.000 0.433 107 E N -0.809 119.498 120.200 0.178 0.000 2.204 107 E HA -0.187 4.163 4.350 0.000 0.000 0.195 107 E C 2.185 178.867 176.600 0.136 0.000 0.990 107 E CA 0.431 56.960 56.400 0.215 0.000 0.821 107 E CB 0.095 29.829 29.700 0.057 0.000 0.750 107 E HN 0.334 nan 8.360 nan 0.000 0.477 108 R N -0.238 120.309 120.500 0.078 0.000 2.152 108 R HA -0.111 4.229 4.340 0.000 0.000 0.232 108 R C 1.703 177.897 176.300 -0.177 0.000 1.117 108 R CA 1.102 57.147 56.100 -0.091 0.000 0.981 108 R CB -0.400 29.767 30.300 -0.222 0.000 0.870 108 R HN 0.255 nan 8.270 nan 0.000 0.451 109 F N -0.158 119.815 119.950 0.039 0.000 2.298 109 F HA 0.051 4.578 4.527 0.000 0.000 0.282 109 F C 1.358 177.193 175.800 0.057 0.000 1.045 109 F CA 0.079 58.120 58.000 0.068 0.000 1.280 109 F CB -0.344 38.710 39.000 0.090 0.000 1.114 109 F HN -0.255 nan 8.300 nan 0.000 0.546 110 V N -2.018 118.054 119.914 0.264 0.000 2.881 110 V HA 0.536 4.656 4.120 0.000 0.000 0.316 110 V C -1.087 175.027 176.094 0.033 0.000 1.070 110 V CA -1.002 61.346 62.300 0.081 0.000 0.976 110 V CB 1.771 33.564 31.823 -0.050 0.000 1.038 110 V HN -0.091 nan 8.190 nan 0.000 0.446 111 D N 1.950 122.303 120.400 -0.078 0.000 2.233 111 D HA 0.480 5.120 4.640 0.000 0.000 0.240 111 D C -1.036 175.157 176.300 -0.178 0.000 1.074 111 D CA 0.168 54.153 54.000 -0.024 0.000 0.838 111 D CB 1.374 42.168 40.800 -0.010 0.000 1.124 111 D HN 0.509 nan 8.370 nan 0.000 0.475 112 F N 2.591 122.546 119.950 0.009 0.000 2.335 112 F HA 0.210 4.737 4.527 0.000 0.000 0.365 112 F C 0.722 176.525 175.800 0.005 0.000 1.122 112 F CA -0.865 57.139 58.000 0.006 0.000 1.151 112 F CB 0.447 39.444 39.000 -0.005 0.000 1.282 112 F HN 0.164 nan 8.300 nan 0.000 0.513 113 D N -0.772 119.689 120.400 0.102 0.000 2.533 113 D HA 0.364 5.004 4.640 0.000 0.000 0.247 113 D C -1.119 175.219 176.300 0.063 0.000 1.056 113 D CA -0.865 53.179 54.000 0.074 0.000 1.054 113 D CB 1.055 41.879 40.800 0.039 0.000 1.400 113 D HN 0.054 nan 8.370 nan 0.000 0.533 114 D N -0.473 119.957 120.400 0.050 0.000 2.973 114 D HA 0.345 4.985 4.640 0.000 0.000 0.263 114 D C -0.558 175.761 176.300 0.032 0.000 1.266 114 D CA -0.091 53.935 54.000 0.044 0.000 0.975 114 D CB -0.010 40.814 40.800 0.039 0.000 1.032 114 D HN 0.449 nan 8.370 nan 0.000 0.510 115 S N -0.924 114.793 115.700 0.028 0.000 2.880 115 S HA 0.580 5.050 4.470 0.000 0.000 0.308 115 S C -1.984 172.629 174.600 0.022 0.000 1.195 115 S CA -0.825 57.388 58.200 0.022 0.000 0.866 115 S CB 1.448 64.658 63.200 0.016 0.000 1.254 115 S HN -0.098 nan 8.310 nan 0.000 0.571 116 P HA 0.160 nan 4.420 nan 0.000 0.220 116 P C 0.994 178.309 177.300 0.025 0.000 1.152 116 P CA 1.056 64.171 63.100 0.025 0.000 0.812 116 P CB -0.189 31.525 31.700 0.024 0.000 0.792 117 M N -0.474 119.135 119.600 0.015 0.000 2.453 117 M HA 0.262 4.742 4.480 0.000 0.000 0.239 117 M C 1.021 177.310 176.300 -0.019 0.000 1.151 117 M CA -0.247 55.060 55.300 0.012 0.000 0.989 117 M CB 0.121 32.728 32.600 0.011 0.000 1.548 117 M HN -0.195 nan 8.290 nan 0.000 0.479 118 G N 1.034 109.818 108.800 -0.027 0.000 2.491 118 G HA2 0.466 4.426 3.960 0.000 0.000 0.238 118 G HA3 0.466 4.426 3.960 0.000 0.000 0.238 118 G C 0.219 175.020 174.900 -0.165 0.000 1.277 118 G CA -0.374 44.682 45.100 -0.072 0.000 0.851 118 G HN 0.451 nan 8.290 nan 0.000 0.573 119 A N 1.117 123.698 122.820 -0.399 0.000 2.346 119 A HA 0.619 4.939 4.320 0.000 0.000 0.255 119 A C 0.261 177.565 177.584 -0.467 0.000 1.113 119 A CA 0.087 51.697 52.037 -0.712 0.000 0.798 119 A CB 0.290 18.256 19.000 -1.724 0.000 1.073 119 A HN 1.621 nan 8.150 nan 0.000 0.502 120 I N -0.459 119.945 120.570 -0.277 0.000 2.767 120 I HA 0.272 4.442 4.170 0.000 0.000 0.281 120 I C -1.676 174.526 176.117 0.141 0.000 1.532 120 I CA -0.565 60.778 61.300 0.073 0.000 1.103 120 I CB 1.104 39.093 38.000 -0.018 0.000 1.466 120 I HN 0.358 nan 8.210 nan 0.000 0.421 121 V N 7.123 127.195 119.914 0.265 0.000 2.385 121 V HA 0.434 4.554 4.120 0.000 0.000 0.269 121 V C 0.385 176.549 176.094 0.117 0.000 1.043 121 V CA -0.288 62.126 62.300 0.190 0.000 0.906 121 V CB 1.084 33.022 31.823 0.192 0.000 0.995 121 V HN 0.599 nan 8.190 nan 0.000 0.467 122 E N 3.327 123.575 120.200 0.080 0.000 2.232 122 E HA 0.395 4.745 4.350 0.000 0.000 0.265 122 E C -0.711 175.899 176.600 0.016 0.000 1.001 122 E CA -0.643 55.791 56.400 0.056 0.000 0.870 122 E CB 1.984 31.721 29.700 0.061 0.000 1.175 122 E HN 0.603 nan 8.360 nan 0.000 0.407 123 N N 1.644 120.300 118.700 -0.073 0.000 2.448 123 N HA 0.026 4.766 4.740 0.000 0.000 0.279 123 N C 0.244 175.443 175.510 -0.518 0.000 1.025 123 N CA -0.381 52.547 53.050 -0.202 0.000 0.898 123 N CB 0.610 39.012 38.487 -0.142 0.000 1.303 123 N HN 0.384 nan 8.380 nan 0.000 0.495 124 N N 4.634 122.934 118.700 -0.667 0.000 2.609 124 N HA -0.093 4.647 4.740 0.000 0.000 0.190 124 N C 0.993 175.773 175.510 -1.217 0.000 1.157 124 N CA 0.460 52.670 53.050 -1.401 0.000 0.918 124 N CB -0.078 37.995 38.487 -0.689 0.000 0.978 124 N HN 0.609 nan 8.380 nan 0.000 0.448 125 L N 0.277 121.115 121.223 -0.642 0.000 2.201 125 L HA -0.046 4.294 4.340 0.000 0.000 0.212 125 L C 2.156 178.813 176.870 -0.355 0.000 1.105 125 L CA 0.801 55.394 54.840 -0.412 0.000 0.775 125 L CB -0.247 41.666 42.059 -0.243 0.000 0.913 125 L HN 0.049 nan 8.230 nan 0.000 0.440 126 E N -0.122 119.841 120.200 -0.396 0.000 2.171 126 E HA -0.249 4.101 4.350 0.000 0.000 0.197 126 E C 1.774 178.403 176.600 0.049 0.000 0.997 126 E CA 1.982 58.304 56.400 -0.130 0.000 0.810 126 E CB -0.157 29.541 29.700 -0.003 0.000 0.738 126 E HN 0.793 nan 8.360 nan 0.000 0.467 127 W N -0.957 120.349 121.300 0.009 0.000 2.798 127 W HA 0.184 4.844 4.660 0.000 0.000 0.260 127 W C 2.008 178.535 176.519 0.014 0.000 1.165 127 W CA 0.653 58.006 57.345 0.014 0.000 1.501 127 W CB -0.797 28.674 29.460 0.017 0.000 1.023 127 W HN -0.254 nan 8.180 nan 0.000 0.615 128 T N 1.189 115.680 114.554 -0.105 0.000 2.867 128 T HA -0.057 4.293 4.350 0.000 0.000 0.268 128 T C 2.073 176.750 174.700 -0.039 0.000 1.057 128 T CA 1.747 63.838 62.100 -0.016 0.000 1.136 128 T CB -1.043 67.750 68.868 -0.125 0.000 0.874 128 T HN 0.433 nan 8.240 nan 0.000 0.466 129 G N 1.720 110.466 108.800 -0.089 0.000 2.450 129 G HA2 -0.201 3.759 3.960 0.000 0.000 0.220 129 G HA3 -0.201 3.759 3.960 0.000 0.000 0.220 129 G C 1.557 176.445 174.900 -0.019 0.000 1.130 129 G CA 1.241 46.303 45.100 -0.063 0.000 0.760 129 G HN 0.655 nan 8.290 nan 0.000 0.557 130 S N -0.956 114.753 115.700 0.015 0.000 2.575 130 S HA 0.436 4.906 4.470 0.000 0.000 0.237 130 S C 0.223 174.856 174.600 0.055 0.000 0.975 130 S CA -0.620 57.600 58.200 0.034 0.000 0.960 130 S CB 0.300 63.526 63.200 0.044 0.000 0.822 130 S HN 0.122 nan 8.310 nan 0.000 0.472 131 L N 3.934 125.194 121.223 0.062 0.000 2.278 131 L HA 0.504 4.844 4.340 0.000 0.000 0.287 131 L C 0.242 177.151 176.870 0.065 0.000 1.072 131 L CA -0.061 54.833 54.840 0.091 0.000 0.819 131 L CB 0.944 43.082 42.059 0.132 0.000 1.176 131 L HN 0.368 nan 8.230 nan 0.000 0.435 132 S N 3.731 119.478 115.700 0.079 0.000 2.585 132 S HA 0.456 4.926 4.470 0.000 0.000 0.273 132 S C 1.440 176.101 174.600 0.103 0.000 1.339 132 S CA -0.230 58.011 58.200 0.069 0.000 1.028 132 S CB 1.217 64.457 63.200 0.066 0.000 0.906 132 S HN 0.915 nan 8.310 nan 0.000 0.528 133 A N 2.233 125.100 122.820 0.078 0.000 1.903 133 A HA -0.133 4.187 4.320 0.000 0.000 0.219 133 A C 1.991 179.690 177.584 0.193 0.000 1.191 133 A CA 1.913 54.024 52.037 0.124 0.000 0.638 133 A CB -1.158 17.891 19.000 0.081 0.000 0.823 133 A HN 0.883 nan 8.150 nan 0.000 0.451 134 I N -0.679 119.968 120.570 0.128 0.000 2.226 134 I HA -0.258 3.912 4.170 0.000 0.000 0.245 134 I C 2.525 178.714 176.117 0.120 0.000 1.100 134 I CA 1.692 63.058 61.300 0.111 0.000 1.374 134 I CB -0.403 37.641 38.000 0.073 0.000 1.057 134 I HN 0.426 nan 8.210 nan 0.000 0.413 135 E N 0.297 120.575 120.200 0.129 0.000 2.058 135 E HA -0.266 4.084 4.350 0.000 0.000 0.194 135 E C 2.070 178.769 176.600 0.164 0.000 0.997 135 E CA 1.559 58.035 56.400 0.127 0.000 0.801 135 E CB -0.267 29.508 29.700 0.124 0.000 0.746 135 E HN 0.383 nan 8.360 nan 0.000 0.450 136 F N 1.556 121.540 119.950 0.057 0.000 2.063 136 F HA -0.259 4.268 4.527 0.000 0.000 0.298 136 F C 1.930 177.766 175.800 0.060 0.000 1.109 136 F CA 1.604 59.638 58.000 0.056 0.000 1.212 136 F CB -0.260 38.769 39.000 0.048 0.000 0.973 136 F HN -0.066 nan 8.300 nan 0.000 0.480 137 L N -0.574 120.699 121.223 0.084 0.000 2.141 137 L HA -0.151 4.190 4.340 0.000 0.000 0.209 137 L C 2.750 179.602 176.870 -0.031 0.000 1.094 137 L CA 1.246 56.076 54.840 -0.017 0.000 0.763 137 L CB -0.587 41.539 42.059 0.111 0.000 0.908 137 L HN 0.141 nan 8.230 nan 0.000 0.437 138 R N -0.103 120.404 120.500 0.013 0.000 2.055 138 R HA -0.075 4.265 4.340 0.000 0.000 0.221 138 R C 1.560 177.861 176.300 0.002 0.000 1.154 138 R CA 1.310 57.415 56.100 0.008 0.000 0.975 138 R CB 0.146 30.463 30.300 0.027 0.000 0.869 138 R HN 0.271 nan 8.270 nan 0.000 0.437 139 D N -0.326 120.098 120.400 0.039 0.000 2.327 139 D HA 0.042 4.683 4.640 0.000 0.000 0.205 139 D C 1.783 178.184 176.300 0.167 0.000 0.989 139 D CA 0.675 54.728 54.000 0.088 0.000 0.873 139 D CB 0.464 41.314 40.800 0.083 0.000 0.955 139 D HN 0.281 nan 8.370 nan 0.000 0.515 140 I N 0.367 120.987 120.570 0.083 0.000 2.962 140 I HA 0.073 4.243 4.170 0.000 0.000 0.246 140 I C 2.484 178.692 176.117 0.152 0.000 1.091 140 I CA 0.616 61.980 61.300 0.107 0.000 1.469 140 I CB -0.466 37.471 38.000 -0.106 0.000 1.324 140 I HN -0.080 nan 8.210 nan 0.000 0.461 141 G N 1.008 109.716 108.800 -0.153 0.000 2.462 141 G HA2 -0.280 3.680 3.960 0.000 0.000 0.220 141 G HA3 -0.280 3.680 3.960 0.000 0.000 0.220 141 G C 1.617 176.566 174.900 0.081 0.000 1.121 141 G CA 0.850 45.873 45.100 -0.129 0.000 0.758 141 G HN 0.162 nan 8.290 nan 0.000 0.559 142 K N 0.027 120.435 120.400 0.014 0.000 2.288 142 K HA 0.002 4.322 4.320 0.000 0.000 0.201 142 K C 1.702 178.209 176.600 -0.155 0.000 1.048 142 K CA 0.509 56.740 56.287 -0.093 0.000 0.956 142 K CB -0.084 32.293 32.500 -0.205 0.000 0.746 142 K HN 0.420 nan 8.250 nan 0.000 0.461 143 H N -1.298 117.784 119.070 0.019 0.000 2.536 143 H HA 0.096 4.652 4.556 0.000 0.000 0.276 143 H C -0.630 174.476 175.328 -0.369 0.000 1.019 143 H CA 0.284 56.230 56.048 -0.171 0.000 1.159 143 H CB 0.078 29.673 29.762 -0.279 0.000 1.373 143 H HN -0.019 nan 8.280 nan 0.000 0.584 144 F N 0.746 120.693 119.950 -0.005 0.000 2.529 144 F HA 0.202 4.730 4.527 0.000 0.000 0.320 144 F C 0.360 176.151 175.800 -0.015 0.000 1.118 144 F CA -0.940 57.042 58.000 -0.030 0.000 0.915 144 F CB 1.899 40.850 39.000 -0.082 0.000 1.161 144 F HN -0.201 nan 8.300 nan 0.000 0.445 145 S N 2.802 118.590 115.700 0.146 0.000 2.438 145 S HA 0.346 4.816 4.470 0.000 0.000 0.293 145 S C 0.807 175.507 174.600 0.167 0.000 1.141 145 S CA -0.674 57.597 58.200 0.118 0.000 1.080 145 S CB 1.171 64.408 63.200 0.063 0.000 0.978 145 S HN 0.475 nan 8.310 nan 0.000 0.479 146 V N 5.144 125.170 119.914 0.186 0.000 2.282 146 V HA -0.223 3.897 4.120 0.000 0.000 0.249 146 V C 2.393 178.620 176.094 0.221 0.000 1.057 146 V CA 2.301 64.759 62.300 0.263 0.000 1.032 146 V CB -1.003 30.953 31.823 0.222 0.000 0.645 146 V HN 0.822 nan 8.190 nan 0.000 0.447 147 N N 0.133 118.917 118.700 0.140 0.000 2.043 147 N HA -0.153 4.587 4.740 0.000 0.000 0.193 147 N C 1.778 177.356 175.510 0.115 0.000 1.037 147 N CA 1.673 54.788 53.050 0.108 0.000 0.851 147 N CB -0.771 37.759 38.487 0.072 0.000 1.027 147 N HN 0.376 nan 8.380 nan 0.000 0.422 148 V N 1.793 121.770 119.914 0.106 0.000 2.287 148 V HA -0.254 3.866 4.120 0.000 0.000 0.248 148 V C 2.379 178.548 176.094 0.125 0.000 1.053 148 V CA 1.542 63.899 62.300 0.095 0.000 1.027 148 V CB -0.498 31.366 31.823 0.068 0.000 0.646 148 V HN 0.282 nan 8.190 nan 0.000 0.447 149 M N -0.758 118.940 119.600 0.164 0.000 2.065 149 M HA -0.202 4.278 4.480 0.000 0.000 0.259 149 M C 2.267 178.721 176.300 0.255 0.000 1.071 149 M CA 2.051 57.456 55.300 0.174 0.000 1.109 149 M CB -0.645 32.027 32.600 0.119 0.000 1.313 149 M HN 0.244 nan 8.290 nan 0.000 0.408 150 L N 0.101 121.514 121.223 0.315 0.000 2.081 150 L HA -0.164 4.176 4.340 0.000 0.000 0.212 150 L C 1.765 178.722 176.870 0.145 0.000 1.080 150 L CA 0.631 55.603 54.840 0.220 0.000 0.754 150 L CB -0.858 41.282 42.059 0.135 0.000 0.893 150 L HN 0.299 nan 8.230 nan 0.000 0.433 151 A N 1.059 123.955 122.820 0.126 0.000 3.004 151 A HA 0.168 4.488 4.320 0.000 0.000 0.254 151 A C 0.209 177.852 177.584 0.098 0.000 1.857 151 A CA 0.400 52.493 52.037 0.095 0.000 1.460 151 A CB -0.784 18.265 19.000 0.082 0.000 0.963 151 A HN 0.357 nan 8.150 nan 0.000 0.624 152 R N -0.310 120.252 120.500 0.103 0.000 2.535 152 R HA 0.192 4.532 4.340 0.000 0.000 0.274 152 R C -0.765 175.591 176.300 0.092 0.000 1.090 152 R CA -0.841 55.323 56.100 0.107 0.000 0.930 152 R CB 1.286 31.662 30.300 0.126 0.000 1.223 152 R HN 0.254 nan 8.270 nan 0.000 0.441 153 D N 0.536 120.983 120.400 0.079 0.000 2.182 153 D HA -0.137 4.503 4.640 0.000 0.000 0.201 153 D C 1.235 177.577 176.300 0.071 0.000 0.986 153 D CA 1.753 55.792 54.000 0.064 0.000 0.847 153 D CB 0.266 41.096 40.800 0.050 0.000 0.942 153 D HN 0.463 nan 8.370 nan 0.000 0.467 154 T N 0.590 115.196 114.554 0.087 0.000 2.622 154 T HA -0.094 4.256 4.350 0.000 0.000 0.266 154 T C 2.158 176.913 174.700 0.092 0.000 1.047 154 T CA 0.751 62.905 62.100 0.090 0.000 1.159 154 T CB -0.239 68.693 68.868 0.106 0.000 0.863 154 T HN 0.155 nan 8.240 nan 0.000 0.422 155 I N 0.351 120.989 120.570 0.112 0.000 2.353 155 I HA -0.082 4.088 4.170 0.000 0.000 0.248 155 I C 2.785 178.957 176.117 0.092 0.000 1.119 155 I CA 0.981 62.357 61.300 0.127 0.000 1.417 155 I CB -0.350 37.767 38.000 0.195 0.000 1.078 155 I HN 0.131 nan 8.210 nan 0.000 0.421 156 R N 1.066 121.615 120.500 0.082 0.000 2.120 156 R HA -0.135 4.205 4.340 0.000 0.000 0.234 156 R C 2.439 178.766 176.300 0.045 0.000 1.123 156 R CA 1.263 57.398 56.100 0.058 0.000 0.975 156 R CB -0.039 30.294 30.300 0.055 0.000 0.866 156 R HN 0.237 nan 8.270 nan 0.000 0.446 157 R N -0.274 120.255 120.500 0.049 0.000 2.062 157 R HA -0.042 4.298 4.340 0.000 0.000 0.231 157 R C 2.391 178.714 176.300 0.038 0.000 1.136 157 R CA 1.494 57.618 56.100 0.041 0.000 0.948 157 R CB -0.184 30.142 30.300 0.043 0.000 0.845 157 R HN 0.216 nan 8.270 nan 0.000 0.430 158 R N 0.573 121.102 120.500 0.047 0.000 2.096 158 R HA -0.097 4.243 4.340 0.000 0.000 0.235 158 R C 2.373 178.692 176.300 0.032 0.000 1.127 158 R CA 1.040 57.166 56.100 0.043 0.000 0.968 158 R CB -0.366 29.968 30.300 0.057 0.000 0.861 158 R HN 0.257 nan 8.270 nan 0.000 0.440 159 L N -0.024 121.216 121.223 0.030 0.000 2.046 159 L HA -0.155 4.185 4.340 0.000 0.000 0.208 159 L C 2.574 179.450 176.870 0.010 0.000 1.077 159 L CA 1.324 56.170 54.840 0.011 0.000 0.747 159 L CB -0.449 41.612 42.059 0.004 0.000 0.896 159 L HN 0.223 nan 8.230 nan 0.000 0.432 160 A N -0.448 122.382 122.820 0.017 0.000 1.970 160 A HA 0.083 4.403 4.320 0.000 0.000 0.216 160 A C 1.873 179.465 177.584 0.014 0.000 1.170 160 A CA 1.157 53.202 52.037 0.014 0.000 0.645 160 A CB -0.743 18.267 19.000 0.017 0.000 0.816 160 A HN 0.419 nan 8.150 nan 0.000 0.447 161 G N -0.897 107.913 108.800 0.018 0.000 3.224 161 G HA2 0.211 4.171 3.960 0.000 0.000 0.161 161 G HA3 0.211 4.171 3.960 0.000 0.000 0.161 161 G C 0.631 175.540 174.900 0.015 0.000 1.872 161 G CA 0.274 45.384 45.100 0.017 0.000 1.012 161 G HN 0.220 nan 8.290 nan 0.000 0.504 162 E N 0.347 120.557 120.200 0.016 0.000 2.494 162 E HA 0.341 4.691 4.350 0.000 0.000 0.193 162 E C 1.001 177.609 176.600 0.014 0.000 1.074 162 E CA 0.698 57.107 56.400 0.014 0.000 0.867 162 E CB -0.373 29.335 29.700 0.015 0.000 0.924 162 E HN 0.917 nan 8.360 nan 0.000 0.502 163 G N 0.465 109.273 108.800 0.014 0.000 2.733 163 G HA2 -0.264 3.696 3.960 0.000 0.000 0.686 163 G HA3 -0.264 3.696 3.960 0.000 0.000 0.686 163 G C -0.606 174.306 174.900 0.019 0.000 1.373 163 G CA -0.233 44.873 45.100 0.011 0.000 0.838 163 G HN 0.244 nan 8.290 nan 0.000 0.588 164 I N 0.883 121.464 120.570 0.017 0.000 2.533 164 I HA 0.647 4.817 4.170 0.000 0.000 0.290 164 I C 0.780 176.922 176.117 0.042 0.000 1.056 164 I CA -0.295 61.028 61.300 0.037 0.000 1.057 164 I CB 1.807 39.843 38.000 0.060 0.000 1.240 164 I HN 1.211 nan 8.210 nan 0.000 0.423 165 S N 5.424 121.164 115.700 0.066 0.000 2.614 165 S HA 0.088 4.558 4.470 0.000 0.000 0.265 165 S C 0.891 175.592 174.600 0.168 0.000 1.303 165 S CA -0.130 58.130 58.200 0.100 0.000 1.000 165 S CB 0.745 64.000 63.200 0.091 0.000 0.935 165 S HN 0.750 nan 8.310 nan 0.000 0.551 166 Y N 1.828 122.176 120.300 0.081 0.000 2.274 166 Y HA -0.083 4.467 4.550 0.000 0.000 0.290 166 Y C 2.387 178.403 175.900 0.195 0.000 1.145 166 Y CA 2.243 60.437 58.100 0.156 0.000 1.203 166 Y CB -0.842 37.684 38.460 0.111 0.000 0.984 166 Y HN 0.793 nan 8.280 nan 0.000 0.533 167 T N 0.125 114.797 114.554 0.197 0.000 2.770 167 T HA -0.158 4.192 4.350 0.000 0.000 0.263 167 T C 1.524 176.245 174.700 0.035 0.000 1.039 167 T CA 1.712 63.865 62.100 0.088 0.000 1.142 167 T CB -0.190 68.730 68.868 0.087 0.000 0.868 167 T HN 0.414 nan 8.240 nan 0.000 0.435 168 E N 0.458 120.690 120.200 0.054 0.000 2.160 168 E HA -0.125 4.225 4.350 0.000 0.000 0.195 168 E C 1.690 178.360 176.600 0.116 0.000 0.991 168 E CA 0.929 57.355 56.400 0.043 0.000 0.810 168 E CB -0.257 29.469 29.700 0.043 0.000 0.742 168 E HN 0.413 nan 8.360 nan 0.000 0.466 169 F N 0.556 120.471 119.950 -0.058 0.000 2.407 169 F HA -0.068 4.459 4.527 0.000 0.000 0.299 169 F C 1.834 177.557 175.800 -0.129 0.000 1.097 169 F CA 0.916 58.865 58.000 -0.085 0.000 1.422 169 F CB 0.208 39.133 39.000 -0.125 0.000 1.067 169 F HN -0.150 nan 8.300 nan 0.000 0.539 170 S N -1.199 114.382 115.700 -0.198 0.000 2.470 170 S HA -0.090 4.381 4.470 0.000 0.000 0.222 170 S C 1.572 176.129 174.600 -0.071 0.000 1.024 170 S CA 0.184 58.243 58.200 -0.235 0.000 0.931 170 S CB -0.699 62.423 63.200 -0.128 0.000 0.791 170 S HN 0.491 nan 8.310 nan 0.000 0.513 171 Y N 3.354 123.575 120.300 -0.131 0.000 2.108 171 Y HA -0.303 4.247 4.550 0.000 0.000 0.274 171 Y C 2.100 177.940 175.900 -0.101 0.000 1.229 171 Y CA 1.327 59.376 58.100 -0.085 0.000 1.129 171 Y CB -0.739 37.685 38.460 -0.060 0.000 0.946 171 Y HN 0.179 nan 8.280 nan 0.000 0.509 172 L N -0.378 120.746 121.223 -0.165 0.000 2.021 172 L HA -0.286 4.054 4.340 0.000 0.000 0.215 172 L C 2.282 178.968 176.870 -0.307 0.000 1.074 172 L CA 2.235 56.914 54.840 -0.268 0.000 0.760 172 L CB -1.163 40.727 42.059 -0.282 0.000 0.889 172 L HN 0.413 nan 8.230 nan 0.000 0.433 173 L N -0.682 120.290 121.223 -0.419 0.000 2.027 173 L HA -0.215 4.125 4.340 0.000 0.000 0.206 173 L C 2.609 179.418 176.870 -0.100 0.000 1.074 173 L CA 1.348 55.883 54.840 -0.508 0.000 0.745 173 L CB -0.699 40.971 42.059 -0.649 0.000 0.898 173 L HN 0.194 nan 8.230 nan 0.000 0.433 174 L N -1.336 119.914 121.223 0.045 0.000 2.017 174 L HA -0.276 4.064 4.340 0.000 0.000 0.208 174 L C 2.671 179.567 176.870 0.044 0.000 1.073 174 L CA 1.238 56.147 54.840 0.115 0.000 0.745 174 L CB -0.448 41.666 42.059 0.091 0.000 0.894 174 L HN 0.306 nan 8.230 nan 0.000 0.432 175 Q N -0.471 119.256 119.800 -0.121 0.000 2.124 175 Q HA -0.179 4.161 4.340 0.000 0.000 0.202 175 Q C 2.262 178.265 176.000 0.004 0.000 0.977 175 Q CA 1.902 57.622 55.803 -0.138 0.000 0.850 175 Q CB -0.162 28.354 28.738 -0.370 0.000 0.901 175 Q HN 0.519 nan 8.270 nan 0.000 0.429 176 A N 0.493 123.320 122.820 0.011 0.000 1.858 176 A HA -0.250 4.070 4.320 0.000 0.000 0.216 176 A C 1.922 179.573 177.584 0.113 0.000 1.190 176 A CA 1.771 53.868 52.037 0.100 0.000 0.617 176 A CB -0.962 18.164 19.000 0.210 0.000 0.827 176 A HN 0.471 nan 8.150 nan 0.000 0.443 177 N N 0.449 119.210 118.700 0.102 0.000 2.094 177 N HA -0.192 4.548 4.740 0.000 0.000 0.191 177 N C 1.106 176.632 175.510 0.027 0.000 1.023 177 N CA 1.963 55.059 53.050 0.076 0.000 0.857 177 N CB -0.419 38.155 38.487 0.145 0.000 1.013 177 N HN 0.438 nan 8.380 nan 0.000 0.426 178 D N -0.999 119.499 120.400 0.163 0.000 2.149 178 D HA -0.201 4.439 4.640 0.000 0.000 0.194 178 D C 1.549 177.846 176.300 -0.005 0.000 1.001 178 D CA 0.930 55.042 54.000 0.187 0.000 0.849 178 D CB -0.484 40.504 40.800 0.313 0.000 0.939 178 D HN 0.356 nan 8.370 nan 0.000 0.449 179 Y N 1.150 121.442 120.300 -0.014 0.000 2.200 179 Y HA -0.150 4.400 4.550 0.000 0.000 0.290 179 Y C 2.333 178.175 175.900 -0.096 0.000 1.137 179 Y CA 0.414 58.524 58.100 0.016 0.000 1.163 179 Y CB -0.609 37.885 38.460 0.057 0.000 0.988 179 Y HN -0.166 nan 8.280 nan 0.000 0.518 180 V N -0.037 119.887 119.914 0.017 0.000 2.343 180 V HA -0.269 3.851 4.120 0.000 0.000 0.247 180 V C 2.264 178.259 176.094 -0.165 0.000 1.051 180 V CA 2.269 64.505 62.300 -0.107 0.000 1.036 180 V CB -0.538 31.203 31.823 -0.136 0.000 0.654 180 V HN 0.216 nan 8.190 nan 0.000 0.451 181 E N -0.148 119.826 120.200 -0.378 0.000 2.152 181 E HA -0.093 4.257 4.350 0.000 0.000 0.192 181 E C 2.072 178.324 176.600 -0.581 0.000 0.983 181 E CA 0.896 56.891 56.400 -0.675 0.000 0.818 181 E CB -0.161 28.637 29.700 -1.504 0.000 0.758 181 E HN 0.510 nan 8.360 nan 0.000 0.467 182 L N -0.562 120.393 121.223 -0.447 0.000 2.156 182 L HA -0.123 4.217 4.340 0.000 0.000 0.208 182 L C 2.261 179.146 176.870 0.026 0.000 1.095 182 L CA 1.213 55.940 54.840 -0.189 0.000 0.770 182 L CB -0.325 41.553 42.059 -0.302 0.000 0.914 182 L HN 0.302 nan 8.230 nan 0.000 0.439 183 H N 0.168 119.229 119.070 -0.015 0.000 2.326 183 H HA -0.165 4.391 4.556 0.000 0.000 0.301 183 H C 2.453 177.752 175.328 -0.049 0.000 1.081 183 H CA 1.733 57.786 56.048 0.009 0.000 1.334 183 H CB 0.119 29.860 29.762 -0.035 0.000 1.385 183 H HN 0.029 nan 8.280 nan 0.000 0.504 184 R N 0.354 120.802 120.500 -0.087 0.000 2.080 184 R HA -0.131 4.209 4.340 0.000 0.000 0.236 184 R C 2.268 178.454 176.300 -0.192 0.000 1.137 184 R CA 2.018 58.027 56.100 -0.153 0.000 0.943 184 R CB -0.061 30.162 30.300 -0.128 0.000 0.846 184 R HN 0.341 nan 8.270 nan 0.000 0.431 185 R N -1.575 118.813 120.500 -0.187 0.000 2.153 185 R HA 0.001 4.341 4.340 0.000 0.000 0.218 185 R C 0.821 176.824 176.300 -0.495 0.000 1.072 185 R CA 0.994 56.917 56.100 -0.294 0.000 0.990 185 R CB 0.149 30.309 30.300 -0.232 0.000 0.889 185 R HN 0.457 nan 8.270 nan 0.000 0.452 186 H N -1.833 117.182 119.070 -0.092 0.000 2.865 186 H HA 0.178 4.734 4.556 0.000 0.000 0.247 186 H C 0.541 175.828 175.328 -0.069 0.000 1.181 186 H CA 0.360 56.374 56.048 -0.056 0.000 0.975 186 H CB 1.407 31.158 29.762 -0.019 0.000 1.899 186 H HN 0.373 nan 8.280 nan 0.000 0.651 187 G N 1.911 110.658 108.800 -0.088 0.000 2.258 187 G HA2 -0.336 3.624 3.960 0.000 0.000 0.274 187 G HA3 -0.336 3.624 3.960 0.000 0.000 0.274 187 G C 0.635 175.534 174.900 -0.002 0.000 1.021 187 G CA 0.578 45.577 45.100 -0.169 0.000 0.798 187 G HN 0.551 nan 8.290 nan 0.000 0.507 188 C N 1.082 120.449 119.300 0.111 0.000 2.632 188 C HA 0.658 5.119 4.460 0.000 0.000 0.415 188 C C 1.871 177.119 174.990 0.429 0.000 1.332 188 C CA 1.047 60.212 59.018 0.245 0.000 1.874 188 C CB 0.142 28.030 27.740 0.247 0.000 2.596 188 C HN 0.928 nan 8.230 nan 0.000 0.590 189 T N 2.655 117.406 114.554 0.329 0.000 3.087 189 T HA 0.295 4.645 4.350 0.000 0.000 0.283 189 T C -0.374 174.519 174.700 0.321 0.000 0.956 189 T CA -0.205 62.096 62.100 0.335 0.000 0.894 189 T CB -0.004 69.025 68.868 0.269 0.000 1.160 189 T HN 0.579 nan 8.240 nan 0.000 0.532 190 L N 1.519 122.856 121.223 0.190 0.000 2.431 190 L HA 0.626 4.966 4.340 0.000 0.000 0.266 190 L C -1.326 175.418 176.870 -0.210 0.000 0.978 190 L CA -0.636 54.224 54.840 0.034 0.000 0.822 190 L CB 2.514 44.479 42.059 -0.156 0.000 1.310 190 L HN 0.215 nan 8.230 nan 0.000 0.409 191 Q N 4.439 123.999 119.800 -0.400 0.000 2.316 191 Q HA 0.688 5.028 4.340 0.000 0.000 0.264 191 Q C -1.149 174.549 176.000 -0.504 0.000 0.987 191 Q CA -0.780 54.535 55.803 -0.813 0.000 0.852 191 Q CB 1.915 29.885 28.738 -1.279 0.000 1.287 191 Q HN 0.751 nan 8.270 nan 0.000 0.448 192 I N -0.124 120.158 120.570 -0.480 0.000 2.648 192 I HA 0.992 5.162 4.170 0.000 0.000 0.304 192 I C -0.283 175.667 176.117 -0.278 0.000 1.009 192 I CA -0.544 60.584 61.300 -0.286 0.000 1.114 192 I CB 2.209 40.093 38.000 -0.194 0.000 1.293 192 I HN 0.623 nan 8.210 nan 0.000 0.449 193 G N 2.146 110.842 108.800 -0.174 0.000 2.600 193 G HA2 0.557 4.517 3.960 0.000 0.000 0.293 193 G HA3 0.557 4.517 3.960 0.000 0.000 0.293 193 G C -0.804 174.044 174.900 -0.087 0.000 1.408 193 G CA -0.509 44.499 45.100 -0.154 0.000 0.782 193 G HN 0.976 nan 8.290 nan 0.000 0.482 194 G N -0.811 107.945 108.800 -0.073 0.000 2.544 194 G HA2 0.553 4.513 3.960 0.000 0.000 0.242 194 G HA3 0.553 4.513 3.960 0.000 0.000 0.242 194 G C 1.377 176.278 174.900 0.001 0.000 1.247 194 G CA 0.867 45.943 45.100 -0.040 0.000 0.840 194 G HN 1.526 nan 8.290 nan 0.000 0.578 195 A N 1.266 124.081 122.820 -0.009 0.000 1.948 195 A HA -0.157 4.163 4.320 0.000 0.000 0.220 195 A C 2.044 179.669 177.584 0.068 0.000 1.177 195 A CA 2.265 54.311 52.037 0.015 0.000 0.636 195 A CB -0.344 18.640 19.000 -0.027 0.000 0.815 195 A HN 0.723 nan 8.150 nan 0.000 0.449 196 D N -0.884 119.552 120.400 0.060 0.000 2.312 196 D HA -0.118 4.522 4.640 0.000 0.000 0.211 196 D C 1.231 177.594 176.300 0.106 0.000 0.964 196 D CA 0.738 54.788 54.000 0.082 0.000 0.877 196 D CB -0.463 40.376 40.800 0.065 0.000 0.924 196 D HN 0.412 nan 8.370 nan 0.000 0.515 197 Q N -0.600 119.254 119.800 0.090 0.000 2.365 197 Q HA -0.002 4.338 4.340 0.000 0.000 0.203 197 Q C 1.444 177.486 176.000 0.070 0.000 0.929 197 Q CA -0.236 55.602 55.803 0.058 0.000 0.948 197 Q CB -0.339 28.393 28.738 -0.009 0.000 1.043 197 Q HN 0.571 nan 8.270 nan 0.000 0.505 198 W N 1.546 122.828 121.300 -0.030 0.000 2.311 198 W HA -0.236 4.424 4.660 0.000 0.000 0.326 198 W C 1.661 178.170 176.519 -0.018 0.000 1.239 198 W CA 2.089 59.416 57.345 -0.031 0.000 1.258 198 W CB -0.684 28.763 29.460 -0.021 0.000 1.165 198 W HN 0.249 nan 8.180 nan 0.000 0.466 199 G N 1.229 110.027 108.800 -0.003 0.000 2.505 199 G HA2 -0.398 3.562 3.960 0.000 0.000 0.220 199 G HA3 -0.398 3.562 3.960 0.000 0.000 0.220 199 G C 1.422 176.203 174.900 -0.198 0.000 1.145 199 G CA 1.367 46.403 45.100 -0.107 0.000 0.761 199 G HN 0.316 nan 8.290 nan 0.000 0.571 200 N N 0.544 119.154 118.700 -0.151 0.000 2.104 200 N HA -0.080 4.660 4.740 0.000 0.000 0.190 200 N C 2.280 177.664 175.510 -0.210 0.000 1.024 200 N CA 1.276 54.222 53.050 -0.173 0.000 0.853 200 N CB -0.208 38.175 38.487 -0.173 0.000 1.008 200 N HN 0.407 nan 8.380 nan 0.000 0.424 201 I N 0.075 120.462 120.570 -0.305 0.000 2.333 201 I HA -0.142 4.028 4.170 0.000 0.000 0.246 201 I C 2.164 178.069 176.117 -0.354 0.000 1.106 201 I CA 0.439 61.548 61.300 -0.319 0.000 1.411 201 I CB -0.067 37.708 38.000 -0.375 0.000 1.082 201 I HN -0.028 nan 8.210 nan 0.000 0.420 202 I N 1.211 121.377 120.570 -0.673 0.000 2.394 202 I HA -0.208 3.962 4.170 0.000 0.000 0.251 202 I C 2.558 178.495 176.117 -0.300 0.000 1.136 202 I CA 1.241 62.177 61.300 -0.606 0.000 1.425 202 I CB -0.317 37.162 38.000 -0.868 0.000 1.079 202 I HN 0.139 nan 8.210 nan 0.000 0.425 203 A N 0.209 122.895 122.820 -0.223 0.000 1.917 203 A HA -0.181 4.139 4.320 0.000 0.000 0.219 203 A C 2.436 179.984 177.584 -0.060 0.000 1.182 203 A CA 1.907 53.898 52.037 -0.078 0.000 0.633 203 A CB -1.732 17.288 19.000 0.034 0.000 0.819 203 A HN 0.487 nan 8.150 nan 0.000 0.448 204 G N -0.895 107.893 108.800 -0.019 0.000 2.408 204 G HA2 -0.051 3.909 3.960 0.000 0.000 0.217 204 G HA3 -0.051 3.909 3.960 0.000 0.000 0.217 204 G C 1.484 176.286 174.900 -0.163 0.000 1.150 204 G CA 1.149 46.289 45.100 0.067 0.000 0.776 204 G HN 0.334 nan 8.290 nan 0.000 0.542 205 V N 0.584 120.377 119.914 -0.202 0.000 2.307 205 V HA -0.163 3.957 4.120 0.000 0.000 0.245 205 V C 2.915 178.803 176.094 -0.343 0.000 1.045 205 V CA 2.055 64.129 62.300 -0.377 0.000 1.024 205 V CB -0.492 31.177 31.823 -0.258 0.000 0.651 205 V HN 0.278 nan 8.190 nan 0.000 0.449 206 R N -0.598 119.742 120.500 -0.268 0.000 2.083 206 R HA -0.167 4.173 4.340 0.000 0.000 0.237 206 R C 2.229 178.342 176.300 -0.311 0.000 1.137 206 R CA 1.591 57.532 56.100 -0.265 0.000 0.951 206 R CB -0.625 29.526 30.300 -0.249 0.000 0.851 206 R HN 0.341 nan 8.270 nan 0.000 0.434 207 L N 0.464 121.496 121.223 -0.318 0.000 2.017 207 L HA -0.161 4.179 4.340 0.000 0.000 0.208 207 L C 2.071 178.732 176.870 -0.348 0.000 1.073 207 L CA 1.556 56.188 54.840 -0.347 0.000 0.745 207 L CB -0.401 41.533 42.059 -0.209 0.000 0.894 207 L HN -0.032 nan 8.230 nan 0.000 0.432 208 V N -0.310 119.385 119.914 -0.365 0.000 2.287 208 V HA -0.345 3.775 4.120 0.000 0.000 0.248 208 V C 2.786 178.667 176.094 -0.355 0.000 1.053 208 V CA 2.060 64.114 62.300 -0.409 0.000 1.027 208 V CB -0.680 30.764 31.823 -0.631 0.000 0.646 208 V HN 0.496 nan 8.190 nan 0.000 0.447 209 R N 0.135 120.432 120.500 -0.338 0.000 2.096 209 R HA -0.211 4.129 4.340 0.000 0.000 0.240 209 R C 2.278 178.446 176.300 -0.220 0.000 1.139 209 R CA 2.091 58.034 56.100 -0.262 0.000 0.952 209 R CB -0.468 29.692 30.300 -0.232 0.000 0.854 209 R HN 0.651 nan 8.270 nan 0.000 0.436 210 Q N -0.583 119.065 119.800 -0.253 0.000 2.033 210 Q HA -0.048 4.292 4.340 0.000 0.000 0.196 210 Q C 2.117 177.982 176.000 -0.225 0.000 0.970 210 Q CA 1.567 57.233 55.803 -0.227 0.000 0.828 210 Q CB -0.039 28.528 28.738 -0.285 0.000 0.895 210 Q HN 0.226 nan 8.270 nan 0.000 0.440 211 K N -0.243 119.965 120.400 -0.320 0.000 2.217 211 K HA -0.077 4.244 4.320 0.000 0.000 0.202 211 K C 0.977 177.495 176.600 -0.138 0.000 1.051 211 K CA 0.777 56.927 56.287 -0.230 0.000 0.952 211 K CB 0.334 32.680 32.500 -0.257 0.000 0.736 211 K HN 0.025 nan 8.250 nan 0.000 0.453 212 L N -1.956 119.175 121.223 -0.152 0.000 3.039 212 L HA 0.277 4.617 4.340 0.000 0.000 0.269 212 L C 1.081 177.892 176.870 -0.099 0.000 1.169 212 L CA 0.649 55.426 54.840 -0.105 0.000 0.986 212 L CB 1.043 43.045 42.059 -0.095 0.000 1.377 212 L HN 0.284 nan 8.230 nan 0.000 0.575 213 G N 0.017 108.743 108.800 -0.123 0.000 2.302 213 G HA2 -0.319 3.641 3.960 0.000 0.000 0.263 213 G HA3 -0.319 3.641 3.960 0.000 0.000 0.263 213 G C 0.703 175.528 174.900 -0.125 0.000 0.995 213 G CA 0.496 45.532 45.100 -0.106 0.000 0.622 213 G HN 0.673 nan 8.290 nan 0.000 0.538 214 A N -0.251 122.473 122.820 -0.159 0.000 2.332 214 A HA 0.697 5.017 4.320 0.000 0.000 0.258 214 A C 0.486 177.904 177.584 -0.277 0.000 1.087 214 A CA 1.045 52.972 52.037 -0.183 0.000 0.802 214 A CB 0.619 19.512 19.000 -0.177 0.000 1.042 214 A HN 0.655 nan 8.150 nan 0.000 0.489 215 T N 1.067 115.475 114.554 -0.244 0.000 2.771 215 T HA 0.542 4.892 4.350 0.000 0.000 0.281 215 T C -0.045 174.413 174.700 -0.403 0.000 0.982 215 T CA 0.077 61.996 62.100 -0.302 0.000 0.978 215 T CB 0.538 69.277 68.868 -0.216 0.000 0.930 215 T HN 1.301 nan 8.240 nan 0.000 0.447 216 V N 1.348 120.938 119.914 -0.540 0.000 3.156 216 V HA 0.723 4.843 4.120 0.000 0.000 0.310 216 V C -1.255 174.470 176.094 -0.614 0.000 1.234 216 V CA -1.029 60.945 62.300 -0.544 0.000 1.065 216 V CB 2.291 33.825 31.823 -0.482 0.000 1.088 216 V HN 0.859 nan 8.190 nan 0.000 0.451 217 H N 0.214 119.291 119.070 0.010 0.000 2.797 217 H HA 0.890 5.446 4.556 0.000 0.000 0.372 217 H C -0.393 174.983 175.328 0.080 0.000 1.168 217 H CA -0.087 55.983 56.048 0.037 0.000 1.163 217 H CB 2.264 32.042 29.762 0.026 0.000 1.778 217 H HN 1.171 nan 8.280 nan 0.000 0.551 218 A N 1.762 124.685 122.820 0.171 0.000 2.414 218 A HA 0.643 4.963 4.320 0.000 0.000 0.306 218 A C -1.331 176.352 177.584 0.165 0.000 1.054 218 A CA -0.693 51.386 52.037 0.070 0.000 0.724 218 A CB 1.656 20.583 19.000 -0.123 0.000 1.267 218 A HN 0.569 nan 8.150 nan 0.000 0.418 219 L N 2.165 123.450 121.223 0.104 0.000 2.580 219 L HA 0.596 4.936 4.340 0.000 0.000 0.266 219 L C -0.367 176.549 176.870 0.077 0.000 0.955 219 L CA -0.186 54.729 54.840 0.125 0.000 0.886 219 L CB 2.073 44.176 42.059 0.074 0.000 1.263 219 L HN 0.914 nan 8.230 nan 0.000 0.406 220 T N 1.583 116.210 114.554 0.121 0.000 2.902 220 T HA 0.714 5.064 4.350 0.000 0.000 0.283 220 T C -0.026 174.639 174.700 -0.059 0.000 1.009 220 T CA -0.571 61.556 62.100 0.047 0.000 1.051 220 T CB 1.805 70.753 68.868 0.133 0.000 0.999 220 T HN 0.525 nan 8.240 nan 0.000 0.474 221 V N -0.716 119.131 119.914 -0.111 0.000 2.630 221 V HA 0.771 4.892 4.120 0.000 0.000 0.305 221 V C -2.699 173.252 176.094 -0.239 0.000 1.046 221 V CA -3.026 59.136 62.300 -0.229 0.000 0.934 221 V CB 1.125 32.791 31.823 -0.262 0.000 1.003 221 V HN 0.827 nan 8.190 nan 0.000 0.451 222 P HA 0.233 nan 4.420 nan 0.000 0.272 222 P C -0.688 176.508 177.300 -0.173 0.000 1.223 222 P CA -0.346 62.602 63.100 -0.254 0.000 0.784 222 P CB 0.765 32.273 31.700 -0.320 0.000 0.923 223 L N 2.567 123.771 121.223 -0.033 0.000 2.416 223 L HA 0.071 4.411 4.340 0.000 0.000 0.272 223 L C 0.334 177.283 176.870 0.131 0.000 1.161 223 L CA 0.009 54.876 54.840 0.045 0.000 0.845 223 L CB 0.199 42.299 42.059 0.069 0.000 1.119 223 L HN 0.141 nan 8.230 nan 0.000 0.464 224 V N 2.416 122.432 119.914 0.170 0.000 2.432 224 V HA 0.531 4.651 4.120 0.000 0.000 0.271 224 V C 0.268 176.520 176.094 0.263 0.000 1.046 224 V CA -0.519 61.920 62.300 0.232 0.000 0.945 224 V CB 0.775 32.566 31.823 -0.054 0.000 0.992 224 V HN 0.930 nan 8.190 nan 0.000 0.471 225 T N 2.068 116.776 114.554 0.256 0.000 2.916 225 T HA 0.807 5.157 4.350 0.000 0.000 0.298 225 T C -0.193 174.637 174.700 0.217 0.000 1.031 225 T CA -0.403 61.836 62.100 0.231 0.000 0.993 225 T CB 1.783 70.743 68.868 0.154 0.000 1.045 225 T HN 0.918 nan 8.240 nan 0.000 0.454 226 A N 1.962 124.915 122.820 0.221 0.000 2.346 226 A HA 0.732 5.052 4.320 0.000 0.000 0.252 226 A C 1.843 179.449 177.584 0.037 0.000 1.089 226 A CA -0.130 51.989 52.037 0.136 0.000 0.797 226 A CB -0.467 18.605 19.000 0.120 0.000 1.047 226 A HN 1.558 nan 8.150 nan 0.000 0.494 227 A N 0.493 123.294 122.820 -0.033 0.000 1.978 227 A HA -0.173 4.147 4.320 0.000 0.000 0.220 227 A C 1.483 179.053 177.584 -0.024 0.000 1.170 227 A CA 2.154 54.165 52.037 -0.044 0.000 0.636 227 A CB -0.636 18.315 19.000 -0.082 0.000 0.810 227 A HN 0.933 nan 8.150 nan 0.000 0.448 228 D N -2.073 118.313 120.400 -0.022 0.000 2.363 228 D HA 0.245 4.885 4.640 0.000 0.000 0.226 228 D C 1.196 177.499 176.300 0.004 0.000 1.020 228 D CA 1.168 55.160 54.000 -0.015 0.000 0.892 228 D CB -0.480 40.305 40.800 -0.024 0.000 0.900 228 D HN 0.796 nan 8.370 nan 0.000 0.531 229 G N 0.047 108.860 108.800 0.020 0.000 2.258 229 G HA2 -0.281 3.679 3.960 0.000 0.000 0.233 229 G HA3 -0.281 3.679 3.960 0.000 0.000 0.233 229 G C 0.570 175.499 174.900 0.048 0.000 1.006 229 G CA 0.450 45.569 45.100 0.033 0.000 0.620 229 G HN 0.827 nan 8.290 nan 0.000 0.511 230 T N -0.496 114.087 114.554 0.048 0.000 2.898 230 T HA 0.503 4.853 4.350 0.000 0.000 0.301 230 T C 0.234 174.993 174.700 0.098 0.000 1.049 230 T CA 0.301 62.434 62.100 0.055 0.000 1.095 230 T CB 1.921 70.811 68.868 0.038 0.000 0.976 230 T HN 0.339 nan 8.240 nan 0.000 0.539 231 K N 2.173 122.626 120.400 0.088 0.000 2.234 231 K HA 0.225 4.545 4.320 0.000 0.000 0.282 231 K C -0.133 176.561 176.600 0.157 0.000 1.039 231 K CA -0.678 55.685 56.287 0.125 0.000 0.928 231 K CB 0.494 33.041 32.500 0.077 0.000 1.039 231 K HN 0.677 nan 8.250 nan 0.000 0.470 232 F N 1.875 121.877 119.950 0.087 0.000 2.626 232 F HA 0.111 4.639 4.527 0.000 0.000 0.354 232 F C 1.387 177.170 175.800 -0.028 0.000 1.168 232 F CA 2.020 60.072 58.000 0.086 0.000 1.368 232 F CB 0.371 39.423 39.000 0.088 0.000 1.092 232 F HN 0.880 nan 8.300 nan 0.000 0.612 233 G N 2.347 110.416 108.800 -1.218 0.000 2.162 233 G HA2 -0.299 3.661 3.960 0.000 0.000 0.260 233 G HA3 -0.299 3.661 3.960 0.000 0.000 0.260 233 G C 0.037 174.514 174.900 -0.704 0.000 0.976 233 G CA 0.217 44.593 45.100 -1.206 0.000 0.655 233 G HN 0.637 nan 8.290 nan 0.000 0.533 234 K N 1.416 121.571 120.400 -0.408 0.000 2.249 234 K HA 0.611 4.931 4.320 0.000 0.000 0.280 234 K C 1.014 177.507 176.600 -0.177 0.000 1.033 234 K CA 0.305 56.445 56.287 -0.246 0.000 0.946 234 K CB 1.259 33.694 32.500 -0.109 0.000 1.005 234 K HN 0.481 nan 8.250 nan 0.000 0.469 235 S N 0.759 116.357 115.700 -0.170 0.000 2.671 235 S HA 0.196 4.666 4.470 0.000 0.000 0.272 235 S C 1.080 175.678 174.600 -0.003 0.000 1.174 235 S CA -0.252 57.904 58.200 -0.072 0.000 1.004 235 S CB 0.652 63.814 63.200 -0.065 0.000 1.077 235 S HN 0.526 nan 8.310 nan 0.000 0.553 236 T N 1.146 115.719 114.554 0.031 0.000 2.597 236 T HA -0.050 4.300 4.350 0.000 0.000 0.267 236 T C 1.770 176.486 174.700 0.026 0.000 1.053 236 T CA 1.950 64.072 62.100 0.035 0.000 1.165 236 T CB -1.302 67.599 68.868 0.055 0.000 0.863 236 T HN 0.900 nan 8.240 nan 0.000 0.427 237 G N -0.181 108.637 108.800 0.031 0.000 2.882 237 G HA2 0.334 4.294 3.960 0.000 0.000 0.206 237 G HA3 0.334 4.294 3.960 0.000 0.000 0.206 237 G C 1.110 176.016 174.900 0.011 0.000 1.155 237 G CA 0.429 45.545 45.100 0.028 0.000 0.800 237 G HN 0.910 nan 8.290 nan 0.000 0.524 238 G N -1.284 107.511 108.800 -0.008 0.000 2.143 238 G HA2 -0.037 3.923 3.960 0.000 0.000 0.248 238 G HA3 -0.037 3.923 3.960 0.000 0.000 0.248 238 G C 0.804 175.670 174.900 -0.057 0.000 0.991 238 G CA 0.426 45.507 45.100 -0.031 0.000 0.689 238 G HN 0.991 nan 8.290 nan 0.000 0.522 239 G N -0.603 108.163 108.800 -0.056 0.000 2.531 239 G HA2 0.620 4.580 3.960 0.000 0.000 0.253 239 G HA3 0.620 4.580 3.960 0.000 0.000 0.253 239 G C 0.313 175.059 174.900 -0.256 0.000 1.439 239 G CA 0.494 45.545 45.100 -0.083 0.000 1.056 239 G HN 0.774 nan 8.290 nan 0.000 0.555 240 S N -1.010 114.425 115.700 -0.441 0.000 2.617 240 S HA 0.398 4.868 4.470 0.000 0.000 0.283 240 S C -0.085 174.042 174.600 -0.787 0.000 1.189 240 S CA -0.461 57.203 58.200 -0.893 0.000 1.036 240 S CB 1.322 63.468 63.200 -1.757 0.000 1.014 240 S HN 0.332 nan 8.310 nan 0.000 0.522 241 L N 2.816 123.668 121.223 -0.619 0.000 2.328 241 L HA 0.268 4.608 4.340 0.000 0.000 0.280 241 L C -1.041 175.872 176.870 0.072 0.000 1.111 241 L CA -0.330 54.346 54.840 -0.273 0.000 0.909 241 L CB -0.019 41.733 42.059 -0.513 0.000 1.277 241 L HN 0.686 nan 8.230 nan 0.000 0.433 242 W N 3.995 125.478 121.300 0.304 0.000 2.272 242 W HA 0.181 4.841 4.660 0.000 0.000 0.318 242 W C 1.235 177.901 176.519 0.244 0.000 1.255 242 W CA -0.795 56.724 57.345 0.291 0.000 1.200 242 W CB 0.659 30.232 29.460 0.189 0.000 1.170 242 W HN 0.384 nan 8.180 nan 0.000 0.549 243 L N 1.385 122.820 121.223 0.353 0.000 2.131 243 L HA -0.131 4.209 4.340 0.000 0.000 0.210 243 L C 1.144 177.998 176.870 -0.028 0.000 1.092 243 L CA 1.076 55.869 54.840 -0.079 0.000 0.759 243 L CB -0.770 41.254 42.059 -0.058 0.000 0.903 243 L HN 0.459 nan 8.230 nan 0.000 0.435 244 D N 1.276 121.762 120.400 0.143 0.000 2.450 244 D HA -0.005 4.635 4.640 0.000 0.000 0.247 244 D C -1.451 174.957 176.300 0.179 0.000 1.162 244 D CA -1.533 52.526 54.000 0.098 0.000 0.879 244 D CB 1.697 42.526 40.800 0.049 0.000 1.163 244 D HN -0.015 nan 8.370 nan 0.000 0.472 245 P HA -0.151 nan 4.420 nan 0.000 0.217 245 P C 0.960 178.329 177.300 0.114 0.000 1.150 245 P CA 1.180 64.394 63.100 0.190 0.000 0.832 245 P CB 0.367 32.161 31.700 0.157 0.000 0.787 246 Q N -1.338 118.506 119.800 0.074 0.000 2.291 246 Q HA 0.006 4.346 4.340 0.000 0.000 0.205 246 Q C 2.299 178.331 176.000 0.054 0.000 0.970 246 Q CA 1.331 57.161 55.803 0.046 0.000 0.876 246 Q CB -0.446 28.299 28.738 0.011 0.000 0.935 246 Q HN 0.296 nan 8.270 nan 0.000 0.455 247 M N -1.419 118.227 119.600 0.076 0.000 2.556 247 M HA 0.063 4.543 4.480 0.000 0.000 0.264 247 M C -0.112 176.336 176.300 0.247 0.000 1.163 247 M CA 0.780 56.134 55.300 0.090 0.000 1.186 247 M CB 1.081 33.639 32.600 -0.070 0.000 1.321 247 M HN -0.174 nan 8.290 nan 0.000 0.485 248 T N 1.132 115.871 114.554 0.309 0.000 2.864 248 T HA 0.306 4.656 4.350 0.000 0.000 0.299 248 T C -0.207 174.650 174.700 0.261 0.000 1.011 248 T CA -0.737 61.564 62.100 0.334 0.000 0.975 248 T CB 1.204 70.346 68.868 0.458 0.000 0.962 248 T HN 0.294 nan 8.240 nan 0.000 0.448 249 S N 3.702 119.522 115.700 0.201 0.000 2.568 249 S HA 0.139 4.609 4.470 0.000 0.000 0.282 249 S C -1.637 173.012 174.600 0.081 0.000 1.338 249 S CA -0.848 57.426 58.200 0.123 0.000 1.045 249 S CB 0.517 63.804 63.200 0.146 0.000 0.873 249 S HN 0.273 nan 8.310 nan 0.000 0.516 250 P HA -0.196 nan 4.420 nan 0.000 0.218 250 P C 1.064 178.452 177.300 0.147 0.000 1.152 250 P CA 1.425 64.361 63.100 -0.273 0.000 0.857 250 P CB -0.154 31.360 31.700 -0.309 0.000 0.787 251 Y N 0.285 120.638 120.300 0.089 0.000 2.163 251 Y HA -0.166 4.384 4.550 0.000 0.000 0.288 251 Y C 2.432 178.481 175.900 0.248 0.000 1.136 251 Y CA 1.741 59.938 58.100 0.162 0.000 1.147 251 Y CB -1.022 37.491 38.460 0.089 0.000 0.987 251 Y HN -0.122 nan 8.280 nan 0.000 0.509 252 A N 0.715 123.720 122.820 0.307 0.000 1.948 252 A HA -0.263 4.057 4.320 0.000 0.000 0.220 252 A C 2.280 180.012 177.584 0.247 0.000 1.177 252 A CA 1.692 53.877 52.037 0.247 0.000 0.636 252 A CB -1.636 17.520 19.000 0.261 0.000 0.815 252 A HN 0.852 nan 8.150 nan 0.000 0.449 253 W N -0.754 120.632 121.300 0.143 0.000 2.353 253 W HA -0.246 4.414 4.660 0.000 0.000 0.319 253 W C 2.140 178.860 176.519 0.335 0.000 1.207 253 W CA 2.004 59.496 57.345 0.244 0.000 1.291 253 W CB -0.744 28.889 29.460 0.288 0.000 1.159 253 W HN 0.491 nan 8.180 nan 0.000 0.478 254 Y N 1.639 122.118 120.300 0.298 0.000 2.081 254 Y HA -0.399 4.151 4.550 0.000 0.000 0.280 254 Y C 3.042 178.944 175.900 0.002 0.000 1.163 254 Y CA 3.264 61.447 58.100 0.138 0.000 1.135 254 Y CB -1.101 37.369 38.460 0.016 0.000 0.970 254 Y HN 0.130 nan 8.280 nan 0.000 0.498 255 Q N -1.080 118.695 119.800 -0.042 0.000 2.062 255 Q HA -0.361 3.979 4.340 0.000 0.000 0.209 255 Q C 2.242 178.161 176.000 -0.135 0.000 0.996 255 Q CA 2.388 58.100 55.803 -0.150 0.000 0.859 255 Q CB -0.776 27.863 28.738 -0.166 0.000 0.920 255 Q HN 0.718 nan 8.270 nan 0.000 0.415 256 Y N -0.103 120.060 120.300 -0.228 0.000 2.081 256 Y HA -0.291 4.259 4.550 0.000 0.000 0.280 256 Y C 1.686 177.331 175.900 -0.426 0.000 1.163 256 Y CA 2.321 60.191 58.100 -0.384 0.000 1.135 256 Y CB -0.502 37.577 38.460 -0.634 0.000 0.970 256 Y HN 0.179 nan 8.280 nan 0.000 0.498 257 F N -1.804 118.053 119.950 -0.155 0.000 2.259 257 F HA -0.121 4.406 4.527 0.000 0.000 0.298 257 F C 2.478 178.129 175.800 -0.249 0.000 1.088 257 F CA 1.223 59.133 58.000 -0.151 0.000 1.358 257 F CB -0.858 38.060 39.000 -0.137 0.000 1.040 257 F HN -0.077 nan 8.300 nan 0.000 0.505 258 V N 0.417 120.206 119.914 -0.208 0.000 2.913 258 V HA -0.220 3.900 4.120 0.000 0.000 0.260 258 V C 0.830 176.789 176.094 -0.226 0.000 1.098 258 V CA 1.782 63.911 62.300 -0.284 0.000 1.121 258 V CB -0.711 30.842 31.823 -0.450 0.000 0.714 258 V HN 0.367 nan 8.190 nan 0.000 0.487 259 N N -0.685 117.861 118.700 -0.256 0.000 2.279 259 N HA 0.089 4.829 4.740 0.000 0.000 0.226 259 N C 0.045 175.385 175.510 -0.284 0.000 1.126 259 N CA -0.182 52.715 53.050 -0.255 0.000 0.846 259 N CB 0.354 38.688 38.487 -0.254 0.000 1.050 259 N HN 0.287 nan 8.380 nan 0.000 0.502 260 T N 1.498 115.904 114.554 -0.245 0.000 2.928 260 T HA 0.154 4.504 4.350 0.000 0.000 0.305 260 T C 0.781 175.356 174.700 -0.207 0.000 1.035 260 T CA -0.349 61.627 62.100 -0.208 0.000 1.145 260 T CB 0.782 69.599 68.868 -0.085 0.000 0.963 260 T HN 0.218 nan 8.240 nan 0.000 0.545 261 A N 2.870 125.554 122.820 -0.226 0.000 2.466 261 A HA 0.113 4.433 4.320 0.000 0.000 0.238 261 A C 1.478 178.940 177.584 -0.203 0.000 1.074 261 A CA -0.474 51.446 52.037 -0.195 0.000 0.774 261 A CB 0.120 19.011 19.000 -0.182 0.000 1.015 261 A HN 0.889 nan 8.150 nan 0.000 0.498 262 D N 1.286 121.592 120.400 -0.156 0.000 2.144 262 D HA -0.115 4.525 4.640 0.000 0.000 0.199 262 D C 2.260 178.462 176.300 -0.162 0.000 0.984 262 D CA 1.712 55.627 54.000 -0.141 0.000 0.834 262 D CB -0.349 40.388 40.800 -0.105 0.000 0.955 262 D HN 0.672 nan 8.370 nan 0.000 0.465 263 A N 1.326 124.048 122.820 -0.163 0.000 1.958 263 A HA -0.220 4.100 4.320 0.000 0.000 0.221 263 A C 1.632 179.071 177.584 -0.243 0.000 1.178 263 A CA 2.000 53.934 52.037 -0.171 0.000 0.642 263 A CB -0.222 18.689 19.000 -0.148 0.000 0.816 263 A HN 0.149 nan 8.150 nan 0.000 0.453 264 D N -1.561 118.625 120.400 -0.356 0.000 2.423 264 D HA 0.079 4.719 4.640 0.000 0.000 0.208 264 D C 1.739 177.661 176.300 -0.629 0.000 1.068 264 D CA 0.620 54.262 54.000 -0.596 0.000 0.860 264 D CB -0.046 40.179 40.800 -0.958 0.000 0.992 264 D HN 0.224 nan 8.370 nan 0.000 0.504 265 V N 1.421 121.103 119.914 -0.387 0.000 2.407 265 V HA -0.197 3.923 4.120 0.000 0.000 0.248 265 V C 1.999 178.040 176.094 -0.089 0.000 1.055 265 V CA 1.203 63.375 62.300 -0.214 0.000 1.049 265 V CB -0.190 31.556 31.823 -0.128 0.000 0.662 265 V HN 0.041 nan 8.190 nan 0.000 0.455 266 I N -0.256 120.244 120.570 -0.116 0.000 2.286 266 I HA -0.111 4.059 4.170 0.000 0.000 0.245 266 I C 2.598 178.656 176.117 -0.098 0.000 1.104 266 I CA 1.449 62.710 61.300 -0.065 0.000 1.397 266 I CB -1.554 36.407 38.000 -0.065 0.000 1.072 266 I HN 0.326 nan 8.210 nan 0.000 0.417 267 R N 0.243 120.610 120.500 -0.223 0.000 2.094 267 R HA -0.241 4.099 4.340 0.000 0.000 0.239 267 R C 2.473 178.529 176.300 -0.406 0.000 1.137 267 R CA 1.858 57.688 56.100 -0.451 0.000 0.943 267 R CB -0.398 29.532 30.300 -0.618 0.000 0.850 267 R HN 0.208 nan 8.270 nan 0.000 0.433 268 Y N 0.927 121.017 120.300 -0.350 0.000 2.114 268 Y HA -0.230 4.320 4.550 0.000 0.000 0.282 268 Y C 2.396 178.352 175.900 0.093 0.000 1.165 268 Y CA 1.081 59.148 58.100 -0.056 0.000 1.148 268 Y CB -0.921 37.667 38.460 0.215 0.000 0.972 268 Y HN 0.069 nan 8.280 nan 0.000 0.504 269 L N -0.058 121.308 121.223 0.240 0.000 2.012 269 L HA -0.269 4.071 4.340 0.000 0.000 0.210 269 L C 2.666 179.609 176.870 0.121 0.000 1.073 269 L CA 2.169 57.121 54.840 0.188 0.000 0.748 269 L CB -0.468 41.668 42.059 0.127 0.000 0.891 269 L HN 0.195 nan 8.230 nan 0.000 0.431 270 R N -1.612 118.921 120.500 0.054 0.000 2.235 270 R HA -0.174 4.166 4.340 0.000 0.000 0.213 270 R C 1.772 178.082 176.300 0.017 0.000 1.059 270 R CA 0.954 57.072 56.100 0.030 0.000 0.997 270 R CB -0.308 30.028 30.300 0.060 0.000 0.884 270 R HN 0.299 nan 8.270 nan 0.000 0.462 271 W N -0.284 120.818 121.300 -0.330 0.000 2.588 271 W HA 0.233 4.893 4.660 0.000 0.000 0.277 271 W C 1.103 177.278 176.519 -0.573 0.000 1.221 271 W CA 0.097 57.105 57.345 -0.562 0.000 1.355 271 W CB -0.185 28.780 29.460 -0.825 0.000 1.083 271 W HN 0.016 nan 8.180 nan 0.000 0.581 272 F N -0.520 119.500 119.950 0.116 0.000 2.717 272 F HA 0.155 4.682 4.527 0.000 0.000 0.297 272 F C 1.465 177.296 175.800 0.051 0.000 1.113 272 F CA 0.640 58.682 58.000 0.070 0.000 1.319 272 F CB -0.854 38.201 39.000 0.092 0.000 1.097 272 F HN -0.362 nan 8.300 nan 0.000 0.595 273 T N -3.928 110.725 114.554 0.166 0.000 2.804 273 T HA 0.406 4.756 4.350 0.000 0.000 0.272 273 T C -0.104 174.593 174.700 -0.005 0.000 0.986 273 T CA -0.334 61.884 62.100 0.196 0.000 0.999 273 T CB 1.127 70.123 68.868 0.212 0.000 1.307 273 T HN -0.123 nan 8.240 nan 0.000 0.586 274 F N 0.202 120.212 119.950 0.100 0.000 2.698 274 F HA 0.451 4.979 4.527 0.000 0.000 0.304 274 F C 0.350 176.229 175.800 0.132 0.000 1.108 274 F CA -0.846 57.214 58.000 0.101 0.000 1.263 274 F CB 0.040 39.086 39.000 0.076 0.000 1.013 274 F HN 0.230 nan 8.300 nan 0.000 0.532 275 L N 1.108 122.481 121.223 0.250 0.000 2.490 275 L HA 0.107 4.447 4.340 0.000 0.000 0.274 275 L C 1.082 178.107 176.870 0.259 0.000 1.201 275 L CA -0.266 54.701 54.840 0.213 0.000 0.869 275 L CB 0.205 42.365 42.059 0.168 0.000 1.123 275 L HN 0.222 nan 8.230 nan 0.000 0.484 276 S N 1.836 117.652 115.700 0.194 0.000 2.600 276 S HA 0.245 4.715 4.470 0.000 0.000 0.265 276 S C 1.172 175.808 174.600 0.060 0.000 1.325 276 S CA -0.233 58.053 58.200 0.144 0.000 1.002 276 S CB 1.439 64.665 63.200 0.043 0.000 0.921 276 S HN 0.701 nan 8.310 nan 0.000 0.554 277 A N 0.791 123.459 122.820 -0.254 0.000 1.978 277 A HA -0.125 4.195 4.320 0.000 0.000 0.220 277 A C 1.759 179.251 177.584 -0.153 0.000 1.170 277 A CA 1.767 53.581 52.037 -0.372 0.000 0.636 277 A CB -0.920 17.561 19.000 -0.865 0.000 0.810 277 A HN 0.866 nan 8.150 nan 0.000 0.448 278 D N -0.432 119.893 120.400 -0.125 0.000 2.103 278 D HA -0.088 4.552 4.640 0.000 0.000 0.199 278 D C 1.939 178.226 176.300 -0.021 0.000 0.978 278 D CA 1.294 55.253 54.000 -0.068 0.000 0.829 278 D CB -0.422 40.340 40.800 -0.062 0.000 0.981 278 D HN 0.622 nan 8.370 nan 0.000 0.464 279 E N 0.251 120.455 120.200 0.005 0.000 2.097 279 E HA -0.153 4.197 4.350 0.000 0.000 0.196 279 E C 2.276 178.901 176.600 0.042 0.000 1.000 279 E CA 0.613 57.033 56.400 0.033 0.000 0.804 279 E CB -0.077 29.660 29.700 0.062 0.000 0.740 279 E HN 0.255 nan 8.360 nan 0.000 0.454 280 L N 0.262 121.519 121.223 0.057 0.000 2.156 280 L HA -0.111 4.229 4.340 0.000 0.000 0.208 280 L C 2.519 179.407 176.870 0.030 0.000 1.095 280 L CA 0.713 55.593 54.840 0.066 0.000 0.770 280 L CB -0.395 41.739 42.059 0.124 0.000 0.914 280 L HN 0.128 nan 8.230 nan 0.000 0.439 281 A N 0.215 123.040 122.820 0.008 0.000 1.865 281 A HA -0.271 4.049 4.320 0.000 0.000 0.217 281 A C 2.210 179.791 177.584 -0.005 0.000 1.191 281 A CA 2.022 54.054 52.037 -0.008 0.000 0.623 281 A CB -0.547 18.437 19.000 -0.026 0.000 0.826 281 A HN 0.433 nan 8.150 nan 0.000 0.444 282 E N -0.666 119.533 120.200 -0.002 0.000 2.153 282 E HA -0.107 4.243 4.350 0.000 0.000 0.194 282 E C 1.925 178.527 176.600 0.002 0.000 0.988 282 E CA 0.934 57.334 56.400 -0.001 0.000 0.811 282 E CB -0.197 29.505 29.700 0.002 0.000 0.746 282 E HN 0.617 nan 8.360 nan 0.000 0.466 283 L N 0.394 121.623 121.223 0.009 0.000 2.156 283 L HA -0.137 4.203 4.340 0.000 0.000 0.208 283 L C 2.825 179.693 176.870 -0.004 0.000 1.095 283 L CA 1.323 56.168 54.840 0.008 0.000 0.770 283 L CB -0.442 41.630 42.059 0.020 0.000 0.914 283 L HN 0.201 nan 8.230 nan 0.000 0.439 284 E N -0.300 119.897 120.200 -0.005 0.000 2.085 284 E HA -0.278 4.072 4.350 0.000 0.000 0.194 284 E C 2.034 178.622 176.600 -0.020 0.000 0.994 284 E CA 1.388 57.779 56.400 -0.016 0.000 0.801 284 E CB -0.556 29.136 29.700 -0.013 0.000 0.743 284 E HN 0.452 nan 8.360 nan 0.000 0.453 285 Q N -0.605 119.186 119.800 -0.015 0.000 2.050 285 Q HA -0.051 4.289 4.340 0.000 0.000 0.202 285 Q C 2.647 178.637 176.000 -0.017 0.000 0.980 285 Q CA 1.611 57.404 55.803 -0.016 0.000 0.840 285 Q CB -0.675 28.055 28.738 -0.013 0.000 0.898 285 Q HN 0.620 nan 8.270 nan 0.000 0.424 286 A N 0.628 123.440 122.820 -0.014 0.000 1.884 286 A HA -0.224 4.096 4.320 0.000 0.000 0.219 286 A C 2.357 179.927 177.584 -0.023 0.000 1.197 286 A CA 2.420 54.447 52.037 -0.015 0.000 0.637 286 A CB -1.071 17.923 19.000 -0.011 0.000 0.827 286 A HN 0.441 nan 8.150 nan 0.000 0.450 287 T N 0.066 114.603 114.554 -0.028 0.000 2.833 287 T HA 0.055 4.405 4.350 0.000 0.000 0.269 287 T C 2.131 176.808 174.700 -0.038 0.000 1.054 287 T CA 1.454 63.531 62.100 -0.039 0.000 1.135 287 T CB -0.390 68.448 68.868 -0.048 0.000 0.869 287 T HN 0.629 nan 8.240 nan 0.000 0.466 288 A N 1.274 124.074 122.820 -0.033 0.000 1.854 288 A HA -0.074 4.246 4.320 0.000 0.000 0.214 288 A C 2.245 179.813 177.584 -0.027 0.000 1.192 288 A CA 1.263 53.281 52.037 -0.031 0.000 0.611 288 A CB -0.494 18.490 19.000 -0.027 0.000 0.832 288 A HN 0.471 nan 8.150 nan 0.000 0.442 289 Q N -1.467 118.319 119.800 -0.023 0.000 2.339 289 Q HA 0.134 4.474 4.340 0.000 0.000 0.205 289 Q C 0.313 176.302 176.000 -0.019 0.000 0.925 289 Q CA 0.528 56.319 55.803 -0.019 0.000 0.898 289 Q CB 0.383 29.112 28.738 -0.016 0.000 1.013 289 Q HN 0.535 nan 8.270 nan 0.000 0.504 290 R N -0.020 120.467 120.500 -0.022 0.000 2.718 290 R HA 0.161 4.501 4.340 0.000 0.000 0.307 290 R C -2.158 174.126 176.300 -0.028 0.000 1.244 290 R CA -0.918 55.169 56.100 -0.021 0.000 1.348 290 R CB 0.792 31.082 30.300 -0.017 0.000 1.304 290 R HN 0.061 nan 8.270 nan 0.000 0.663 291 P HA -0.193 nan 4.420 nan 0.000 0.218 291 P C 0.636 177.908 177.300 -0.046 0.000 1.149 291 P CA 1.273 64.348 63.100 -0.042 0.000 0.817 291 P CB 0.381 32.055 31.700 -0.043 0.000 0.785 292 Q N -0.746 119.030 119.800 -0.040 0.000 2.482 292 Q HA -0.055 4.285 4.340 0.000 0.000 0.209 292 Q C 2.146 178.119 176.000 -0.044 0.000 0.961 292 Q CA 0.554 56.331 55.803 -0.043 0.000 0.945 292 Q CB -0.203 28.515 28.738 -0.032 0.000 1.012 292 Q HN 0.355 nan 8.270 nan 0.000 0.515 293 Q N 0.350 120.127 119.800 -0.038 0.000 2.391 293 Q HA 0.055 4.395 4.340 0.000 0.000 0.211 293 Q C -0.239 175.738 176.000 -0.037 0.000 0.908 293 Q CA 0.021 55.805 55.803 -0.032 0.000 0.920 293 Q CB 0.658 29.383 28.738 -0.021 0.000 1.056 293 Q HN 0.118 nan 8.270 nan 0.000 0.523 294 R N -1.581 118.891 120.500 -0.046 0.000 3.651 294 R HA -0.261 4.079 4.340 0.000 0.000 0.292 294 R C 0.842 177.121 176.300 -0.035 0.000 1.161 294 R CA 0.415 56.482 56.100 -0.054 0.000 0.787 294 R CB -2.470 27.783 30.300 -0.078 0.000 1.249 294 R HN 0.355 nan 8.270 nan 0.000 0.476 295 A N 0.851 123.658 122.820 -0.022 0.000 1.917 295 A HA -0.100 4.220 4.320 0.000 0.000 0.219 295 A C 2.373 179.956 177.584 -0.001 0.000 1.182 295 A CA 2.161 54.194 52.037 -0.006 0.000 0.633 295 A CB -0.374 18.624 19.000 -0.003 0.000 0.819 295 A HN 0.634 nan 8.150 nan 0.000 0.448 296 A N -1.413 121.400 122.820 -0.010 0.000 1.898 296 A HA -0.117 4.204 4.320 0.000 0.000 0.216 296 A C 2.100 179.683 177.584 -0.002 0.000 1.181 296 A CA 1.837 53.873 52.037 -0.002 0.000 0.620 296 A CB -0.451 18.540 19.000 -0.015 0.000 0.819 296 A HN 0.516 nan 8.150 nan 0.000 0.442 297 Q N -0.333 119.448 119.800 -0.031 0.000 2.079 297 Q HA -0.040 4.300 4.340 0.000 0.000 0.200 297 Q C 2.257 178.213 176.000 -0.072 0.000 0.974 297 Q CA 1.559 57.331 55.803 -0.052 0.000 0.840 297 Q CB -0.208 28.473 28.738 -0.095 0.000 0.898 297 Q HN 0.620 nan 8.270 nan 0.000 0.430 298 R N -0.369 120.102 120.500 -0.048 0.000 2.115 298 R HA -0.053 4.287 4.340 0.000 0.000 0.230 298 R C 2.189 178.509 176.300 0.034 0.000 1.111 298 R CA 1.114 57.208 56.100 -0.010 0.000 0.976 298 R CB -0.068 30.262 30.300 0.050 0.000 0.870 298 R HN 0.030 nan 8.270 nan 0.000 0.445 299 R N 1.173 121.694 120.500 0.034 0.000 2.062 299 R HA -0.081 4.259 4.340 0.000 0.000 0.229 299 R C 2.105 178.438 176.300 0.055 0.000 1.128 299 R CA 1.004 57.138 56.100 0.057 0.000 0.960 299 R CB -0.722 29.612 30.300 0.056 0.000 0.855 299 R HN 0.111 nan 8.270 nan 0.000 0.432 300 L N 0.368 121.619 121.223 0.046 0.000 2.043 300 L HA -0.108 4.232 4.340 0.000 0.000 0.212 300 L C 2.108 178.951 176.870 -0.044 0.000 1.075 300 L CA 2.360 57.231 54.840 0.051 0.000 0.752 300 L CB -0.878 41.256 42.059 0.125 0.000 0.891 300 L HN 0.299 nan 8.230 nan 0.000 0.432 301 A N -1.083 121.683 122.820 -0.089 0.000 1.902 301 A HA -0.205 4.115 4.320 0.000 0.000 0.217 301 A C 2.464 180.071 177.584 0.039 0.000 1.181 301 A CA 2.113 54.010 52.037 -0.233 0.000 0.623 301 A CB -1.095 17.401 19.000 -0.841 0.000 0.818 301 A HN 0.663 nan 8.150 nan 0.000 0.443 302 S N -0.258 115.546 115.700 0.172 0.000 2.371 302 S HA -0.138 4.332 4.470 0.000 0.000 0.224 302 S C 1.693 176.383 174.600 0.150 0.000 1.029 302 S CA 1.178 59.532 58.200 0.256 0.000 0.978 302 S CB -0.444 62.885 63.200 0.215 0.000 0.833 302 S HN 0.568 nan 8.310 nan 0.000 0.466 303 E N 1.358 121.613 120.200 0.091 0.000 2.051 303 E HA -0.043 4.307 4.350 0.000 0.000 0.192 303 E C 2.133 178.762 176.600 0.048 0.000 0.991 303 E CA 0.905 57.349 56.400 0.074 0.000 0.799 303 E CB -0.339 29.415 29.700 0.090 0.000 0.748 303 E HN 0.398 nan 8.360 nan 0.000 0.449 304 L N 0.828 122.032 121.223 -0.032 0.000 2.156 304 L HA -0.074 4.266 4.340 0.000 0.000 0.208 304 L C 2.298 179.318 176.870 0.250 0.000 1.095 304 L CA 1.390 56.199 54.840 -0.051 0.000 0.770 304 L CB -1.324 40.333 42.059 -0.670 0.000 0.914 304 L HN 0.147 nan 8.230 nan 0.000 0.439 305 T N -0.768 113.969 114.554 0.304 0.000 2.896 305 T HA -0.061 4.289 4.350 0.000 0.000 0.263 305 T C 2.174 176.998 174.700 0.206 0.000 1.050 305 T CA 0.657 63.005 62.100 0.414 0.000 1.140 305 T CB -0.092 69.082 68.868 0.510 0.000 0.877 305 T HN 0.026 nan 8.240 nan 0.000 0.457 306 V N 1.850 121.847 119.914 0.138 0.000 2.295 306 V HA -0.121 3.999 4.120 0.000 0.000 0.246 306 V C 2.417 178.503 176.094 -0.014 0.000 1.049 306 V CA 1.347 63.685 62.300 0.063 0.000 1.024 306 V CB -0.721 31.133 31.823 0.050 0.000 0.648 306 V HN 0.411 nan 8.190 nan 0.000 0.447 307 L N -0.316 120.882 121.223 -0.042 0.000 1.978 307 L HA -0.255 4.085 4.340 0.000 0.000 0.218 307 L C 2.317 179.031 176.870 -0.259 0.000 1.075 307 L CA 2.169 56.913 54.840 -0.160 0.000 0.767 307 L CB -0.157 41.804 42.059 -0.163 0.000 0.890 307 L HN 0.207 nan 8.230 nan 0.000 0.434 308 V N -1.555 118.198 119.914 -0.269 0.000 2.426 308 V HA -0.203 3.917 4.120 0.000 0.000 0.242 308 V C 1.586 177.353 176.094 -0.544 0.000 1.036 308 V CA 1.693 63.696 62.300 -0.495 0.000 1.044 308 V CB -0.577 30.758 31.823 -0.813 0.000 0.688 308 V HN 0.530 nan 8.190 nan 0.000 0.462 309 H N -0.574 118.387 119.070 -0.182 0.000 2.755 309 H HA 0.526 5.082 4.556 0.000 0.000 0.273 309 H C 0.976 176.268 175.328 -0.059 0.000 1.055 309 H CA 0.521 56.499 56.048 -0.116 0.000 1.191 309 H CB 0.541 30.246 29.762 -0.095 0.000 1.536 309 H HN 0.524 nan 8.280 nan 0.000 0.529 310 G N 0.239 109.053 108.800 0.024 0.000 2.795 310 G HA2 -0.307 3.653 3.960 0.000 0.000 0.664 310 G HA3 -0.307 3.653 3.960 0.000 0.000 0.664 310 G C 0.553 175.480 174.900 0.044 0.000 1.381 310 G CA 0.059 45.169 45.100 0.017 0.000 0.853 310 G HN 0.203 nan 8.290 nan 0.000 0.545 311 E N -0.329 119.889 120.200 0.030 0.000 2.076 311 E HA 0.131 4.481 4.350 0.000 0.000 0.190 311 E C 3.146 179.772 176.600 0.042 0.000 0.979 311 E CA 2.224 58.647 56.400 0.039 0.000 0.807 311 E CB -0.549 29.168 29.700 0.028 0.000 0.761 311 E HN 1.583 nan 8.360 nan 0.000 0.454 312 A N 1.189 124.028 122.820 0.030 0.000 1.883 312 A HA -0.070 4.250 4.320 0.000 0.000 0.217 312 A C 2.509 180.110 177.584 0.029 0.000 1.186 312 A CA 2.160 54.212 52.037 0.024 0.000 0.624 312 A CB -0.925 18.083 19.000 0.013 0.000 0.822 312 A HN 0.462 nan 8.150 nan 0.000 0.444 313 A N -1.348 121.495 122.820 0.038 0.000 1.930 313 A HA -0.042 4.278 4.320 0.000 0.000 0.217 313 A C 2.297 179.908 177.584 0.045 0.000 1.175 313 A CA 2.189 54.251 52.037 0.040 0.000 0.627 313 A CB -1.191 17.844 19.000 0.058 0.000 0.815 313 A HN 0.430 nan 8.150 nan 0.000 0.443 314 T N 0.356 114.950 114.554 0.066 0.000 2.746 314 T HA -0.027 4.324 4.350 0.000 0.000 0.267 314 T C 2.242 176.960 174.700 0.031 0.000 1.039 314 T CA 1.545 63.684 62.100 0.066 0.000 1.142 314 T CB -0.466 68.466 68.868 0.107 0.000 0.866 314 T HN 0.596 nan 8.240 nan 0.000 0.444 315 A N 1.713 124.573 122.820 0.067 0.000 1.865 315 A HA 0.030 4.351 4.320 0.000 0.000 0.217 315 A C 2.681 180.384 177.584 0.197 0.000 1.191 315 A CA 2.139 54.256 52.037 0.133 0.000 0.623 315 A CB -1.334 17.732 19.000 0.110 0.000 0.826 315 A HN 0.516 nan 8.150 nan 0.000 0.444 316 A N -0.698 122.167 122.820 0.075 0.000 1.873 316 A HA -0.100 4.220 4.320 0.000 0.000 0.218 316 A C 2.273 179.901 177.584 0.073 0.000 1.193 316 A CA 2.143 54.208 52.037 0.046 0.000 0.629 316 A CB -1.179 17.826 19.000 0.008 0.000 0.826 316 A HN 0.492 nan 8.150 nan 0.000 0.447 317 V N 0.064 119.992 119.914 0.023 0.000 2.343 317 V HA -0.288 3.832 4.120 0.000 0.000 0.247 317 V C 2.456 178.438 176.094 -0.186 0.000 1.051 317 V CA 2.356 64.649 62.300 -0.012 0.000 1.036 317 V CB -0.881 30.884 31.823 -0.096 0.000 0.654 317 V HN 0.645 nan 8.190 nan 0.000 0.451 318 E N -0.666 119.351 120.200 -0.304 0.000 2.038 318 E HA -0.261 4.089 4.350 0.000 0.000 0.195 318 E C 2.168 178.712 176.600 -0.092 0.000 1.000 318 E CA 1.838 58.047 56.400 -0.318 0.000 0.803 318 E CB -0.256 29.323 29.700 -0.202 0.000 0.750 318 E HN 0.717 nan 8.360 nan 0.000 0.448 319 H N 0.270 119.316 119.070 -0.039 0.000 2.319 319 H HA -0.102 4.454 4.556 0.000 0.000 0.299 319 H C 2.028 177.372 175.328 0.026 0.000 1.092 319 H CA 1.626 57.676 56.048 0.005 0.000 1.302 319 H CB -0.299 29.464 29.762 0.001 0.000 1.373 319 H HN 0.222 nan 8.280 nan 0.000 0.497 320 A N -0.241 122.674 122.820 0.158 0.000 1.873 320 A HA -0.267 4.053 4.320 0.000 0.000 0.218 320 A C 2.541 180.228 177.584 0.172 0.000 1.193 320 A CA 2.191 54.287 52.037 0.097 0.000 0.629 320 A CB -1.200 17.831 19.000 0.051 0.000 0.826 320 A HN 0.436 nan 8.150 nan 0.000 0.447 321 S N -1.000 114.865 115.700 0.275 0.000 2.382 321 S HA -0.185 4.285 4.470 0.000 0.000 0.228 321 S C 2.198 177.031 174.600 0.388 0.000 1.027 321 S CA 1.604 60.059 58.200 0.424 0.000 0.991 321 S CB -0.312 63.081 63.200 0.322 0.000 0.823 321 S HN 0.602 nan 8.310 nan 0.000 0.469 322 R N 0.489 121.115 120.500 0.210 0.000 2.062 322 R HA 0.087 4.427 4.340 0.000 0.000 0.229 322 R C 2.736 179.136 176.300 0.165 0.000 1.128 322 R CA 1.155 57.359 56.100 0.173 0.000 0.960 322 R CB -0.680 29.654 30.300 0.057 0.000 0.855 322 R HN 0.460 nan 8.270 nan 0.000 0.432 323 A N 1.220 124.106 122.820 0.110 0.000 1.903 323 A HA -0.206 4.114 4.320 0.000 0.000 0.219 323 A C 1.994 179.585 177.584 0.012 0.000 1.191 323 A CA 1.526 53.597 52.037 0.057 0.000 0.638 323 A CB -0.570 18.453 19.000 0.039 0.000 0.823 323 A HN 0.145 nan 8.150 nan 0.000 0.451 324 L N -2.258 118.962 121.223 -0.005 0.000 2.275 324 L HA -0.001 4.339 4.340 0.000 0.000 0.215 324 L C 0.846 177.456 176.870 -0.432 0.000 1.119 324 L CA 1.347 56.054 54.840 -0.221 0.000 0.790 324 L CB -0.544 41.349 42.059 -0.275 0.000 0.919 324 L HN 0.415 nan 8.230 nan 0.000 0.443 325 F N -1.052 118.914 119.950 0.026 0.000 2.850 325 F HA 0.415 4.942 4.527 0.000 0.000 0.306 325 F C 1.593 177.397 175.800 0.007 0.000 1.162 325 F CA 0.028 58.040 58.000 0.020 0.000 1.327 325 F CB -0.086 38.936 39.000 0.036 0.000 0.953 325 F HN 0.035 nan 8.300 nan 0.000 0.507 326 G N 0.692 109.541 108.800 0.082 0.000 2.168 326 G HA2 -0.330 3.630 3.960 0.000 0.000 0.257 326 G HA3 -0.330 3.630 3.960 0.000 0.000 0.257 326 G C 1.295 176.234 174.900 0.066 0.000 0.997 326 G CA 0.107 45.238 45.100 0.052 0.000 0.708 326 G HN 0.324 nan 8.290 nan 0.000 0.520 327 R N -0.022 120.534 120.500 0.094 0.000 2.393 327 R HA 0.382 4.722 4.340 0.000 0.000 0.244 327 R C 1.252 177.583 176.300 0.052 0.000 0.920 327 R CA 0.912 57.054 56.100 0.071 0.000 1.076 327 R CB 0.567 30.918 30.300 0.085 0.000 1.119 327 R HN 0.667 nan 8.270 nan 0.000 0.524 328 G N 0.933 109.763 108.800 0.051 0.000 2.827 328 G HA2 0.145 4.105 3.960 0.000 0.000 0.202 328 G HA3 0.145 4.105 3.960 0.000 0.000 0.202 328 G C -0.859 174.064 174.900 0.037 0.000 1.185 328 G CA -0.268 44.860 45.100 0.047 0.000 0.920 328 G HN 0.071 nan 8.290 nan 0.000 0.550 329 E N 0.787 121.012 120.200 0.042 0.000 3.254 329 E HA 0.076 4.426 4.350 0.000 0.000 0.184 329 E C 1.584 178.195 176.600 0.018 0.000 0.967 329 E CA -0.194 56.226 56.400 0.033 0.000 1.311 329 E CB -0.398 29.334 29.700 0.054 0.000 1.071 329 E HN 0.655 nan 8.360 nan 0.000 0.456 330 L N -1.560 119.664 121.223 0.001 0.000 2.369 330 L HA -0.058 4.282 4.340 0.000 0.000 0.220 330 L C 2.141 178.989 176.870 -0.036 0.000 1.119 330 L CA 2.079 56.907 54.840 -0.020 0.000 0.780 330 L CB -1.163 40.866 42.059 -0.050 0.000 0.906 330 L HN 0.113 nan 8.230 nan 0.000 0.442 331 A N 0.698 123.498 122.820 -0.034 0.000 1.978 331 A HA -0.177 4.143 4.320 0.000 0.000 0.220 331 A C 2.415 179.983 177.584 -0.028 0.000 1.170 331 A CA 1.854 53.861 52.037 -0.051 0.000 0.636 331 A CB -0.523 18.460 19.000 -0.028 0.000 0.810 331 A HN 0.627 nan 8.150 nan 0.000 0.448 332 R N -0.796 119.706 120.500 0.004 0.000 2.313 332 R HA 0.231 4.571 4.340 0.000 0.000 0.199 332 R C -0.388 175.930 176.300 0.029 0.000 0.958 332 R CA -0.143 55.969 56.100 0.021 0.000 1.047 332 R CB -0.282 30.030 30.300 0.019 0.000 0.955 332 R HN 0.412 nan 8.270 nan 0.000 0.481 333 L N 2.949 124.194 121.223 0.036 0.000 2.349 333 L HA 0.086 4.426 4.340 0.000 0.000 0.275 333 L C 0.329 177.294 176.870 0.157 0.000 1.115 333 L CA -0.624 54.245 54.840 0.048 0.000 0.820 333 L CB 0.484 42.551 42.059 0.013 0.000 1.135 333 L HN 0.110 nan 8.230 nan 0.000 0.445 334 D N 2.077 122.538 120.400 0.103 0.000 2.304 334 D HA 0.123 4.763 4.640 0.000 0.000 0.247 334 D C 0.951 177.269 176.300 0.030 0.000 1.089 334 D CA 0.145 54.200 54.000 0.091 0.000 0.910 334 D CB 1.165 41.960 40.800 -0.008 0.000 1.199 334 D HN 0.626 nan 8.370 nan 0.000 0.426 335 E N 1.924 122.002 120.200 -0.204 0.000 2.108 335 E HA -0.247 4.103 4.350 0.000 0.000 0.203 335 E C 2.086 178.676 176.600 -0.017 0.000 1.022 335 E CA 2.720 59.050 56.400 -0.116 0.000 0.823 335 E CB -1.071 28.453 29.700 -0.294 0.000 0.744 335 E HN 0.742 nan 8.360 nan 0.000 0.456 336 A N 0.395 123.190 122.820 -0.042 0.000 1.873 336 A HA -0.178 4.142 4.320 0.000 0.000 0.218 336 A C 2.728 180.284 177.584 -0.046 0.000 1.193 336 A CA 2.949 54.972 52.037 -0.023 0.000 0.629 336 A CB -1.107 17.879 19.000 -0.023 0.000 0.826 336 A HN 0.520 nan 8.150 nan 0.000 0.447 337 T N -0.043 114.478 114.554 -0.054 0.000 2.674 337 T HA -0.131 4.219 4.350 0.000 0.000 0.265 337 T C 1.867 176.466 174.700 -0.169 0.000 1.039 337 T CA 1.476 63.529 62.100 -0.077 0.000 1.150 337 T CB -0.482 68.358 68.868 -0.046 0.000 0.864 337 T HN 0.302 nan 8.240 nan 0.000 0.427 338 L N 1.680 122.796 121.223 -0.178 0.000 2.012 338 L HA 0.018 4.359 4.340 0.000 0.000 0.210 338 L C 2.625 179.161 176.870 -0.558 0.000 1.073 338 L CA 1.975 56.614 54.840 -0.336 0.000 0.748 338 L CB -1.298 40.602 42.059 -0.264 0.000 0.891 338 L HN 0.248 nan 8.230 nan 0.000 0.431 339 A N -0.279 122.276 122.820 -0.443 0.000 1.859 339 A HA -0.206 4.114 4.320 0.000 0.000 0.217 339 A C 2.500 179.906 177.584 -0.297 0.000 1.198 339 A CA 2.574 54.371 52.037 -0.400 0.000 0.629 339 A CB -1.472 17.552 19.000 0.039 0.000 0.830 339 A HN 0.623 nan 8.150 nan 0.000 0.446 340 A N -0.237 122.475 122.820 -0.179 0.000 1.884 340 A HA -0.005 4.315 4.320 0.000 0.000 0.219 340 A C 2.579 180.014 177.584 -0.247 0.000 1.197 340 A CA 2.991 54.953 52.037 -0.125 0.000 0.637 340 A CB -1.314 17.650 19.000 -0.060 0.000 0.827 340 A HN 1.309 nan 8.150 nan 0.000 0.450 341 A N -1.053 121.471 122.820 -0.493 0.000 1.883 341 A HA -0.076 4.244 4.320 0.000 0.000 0.217 341 A C 2.034 179.282 177.584 -0.559 0.000 1.186 341 A CA 1.914 53.372 52.037 -0.965 0.000 0.624 341 A CB -0.570 17.832 19.000 -0.997 0.000 0.822 341 A HN 0.426 nan 8.150 nan 0.000 0.444 342 L N 0.218 121.147 121.223 -0.490 0.000 2.141 342 L HA -0.109 4.231 4.340 0.000 0.000 0.209 342 L C 2.592 179.362 176.870 -0.166 0.000 1.094 342 L CA 2.188 56.798 54.840 -0.383 0.000 0.763 342 L CB -0.951 40.683 42.059 -0.708 0.000 0.908 342 L HN 0.689 nan 8.230 nan 0.000 0.437 343 R N -1.127 119.301 120.500 -0.121 0.000 2.316 343 R HA -0.061 4.279 4.340 0.000 0.000 0.202 343 R C 1.374 177.709 176.300 0.058 0.000 1.029 343 R CA 0.738 56.851 56.100 0.021 0.000 1.018 343 R CB -0.227 30.106 30.300 0.055 0.000 0.888 343 R HN 0.213 nan 8.270 nan 0.000 0.471 344 E N 1.301 121.538 120.200 0.062 0.000 2.170 344 E HA -0.036 4.314 4.350 0.000 0.000 0.191 344 E C 0.770 177.437 176.600 0.113 0.000 0.981 344 E CA 1.284 57.764 56.400 0.133 0.000 0.830 344 E CB 0.077 29.931 29.700 0.257 0.000 0.775 344 E HN 0.535 nan 8.360 nan 0.000 0.470 345 T N -0.248 114.352 114.554 0.076 0.000 2.847 345 T HA 0.272 4.622 4.350 0.000 0.000 0.279 345 T C 0.607 175.344 174.700 0.062 0.000 0.984 345 T CA -0.608 61.531 62.100 0.066 0.000 0.988 345 T CB 1.213 70.101 68.868 0.033 0.000 1.040 345 T HN 0.030 nan 8.240 nan 0.000 0.528 346 T N -0.331 114.259 114.554 0.059 0.000 2.930 346 T HA 0.471 4.821 4.350 0.000 0.000 0.306 346 T C -0.241 174.503 174.700 0.073 0.000 1.045 346 T CA -0.768 61.369 62.100 0.062 0.000 1.134 346 T CB 0.224 69.122 68.868 0.051 0.000 0.961 346 T HN 0.608 nan 8.240 nan 0.000 0.545 347 V N 2.359 122.329 119.914 0.093 0.000 2.482 347 V HA 0.638 4.758 4.120 0.000 0.000 0.295 347 V C 0.330 176.489 176.094 0.109 0.000 1.026 347 V CA -1.234 61.144 62.300 0.130 0.000 0.856 347 V CB 1.383 33.332 31.823 0.210 0.000 1.001 347 V HN 1.297 nan 8.190 nan 0.000 0.424 348 A N 4.274 127.154 122.820 0.099 0.000 2.347 348 A HA 0.536 4.856 4.320 0.000 0.000 0.287 348 A C 0.435 178.064 177.584 0.076 0.000 1.199 348 A CA -0.379 51.705 52.037 0.077 0.000 0.851 348 A CB -0.002 19.039 19.000 0.069 0.000 1.118 348 A HN 0.904 nan 8.150 nan 0.000 0.525 349 E N 3.606 123.836 120.200 0.049 0.000 1.936 349 E HA 0.321 4.671 4.350 0.000 0.000 0.267 349 E C -0.553 176.053 176.600 0.009 0.000 1.076 349 E CA -0.423 55.987 56.400 0.017 0.000 0.870 349 E CB 0.629 30.329 29.700 0.000 0.000 1.093 349 E HN 0.649 nan 8.360 nan 0.000 0.411 350 L N 3.948 125.184 121.223 0.022 0.000 2.367 350 L HA 0.151 4.491 4.340 0.000 0.000 0.275 350 L C -0.049 176.812 176.870 -0.015 0.000 1.129 350 L CA -0.277 54.581 54.840 0.030 0.000 0.839 350 L CB 0.365 42.480 42.059 0.092 0.000 1.133 350 L HN 0.445 nan 8.230 nan 0.000 0.453 351 K N 4.107 124.500 120.400 -0.012 0.000 0.000 351 K HA 0.686 5.006 4.320 0.000 0.000 0.000 351 K C -2.866 173.718 176.600 -0.026 0.000 0.000 351 K CA -2.149 54.118 56.287 -0.033 0.000 0.000 351 K CB 0.094 32.578 32.500 -0.026 0.000 0.000 351 K HN 0.262 nan 8.250 nan 0.000 0.000 352 P HA 0.068 nan 4.420 nan 0.000 0.266 352 P C 0.455 177.748 177.300 -0.011 0.000 1.193 352 P CA 1.487 64.572 63.100 -0.025 0.000 0.770 352 P CB 0.082 31.764 31.700 -0.030 0.000 0.836 353 G N 2.017 110.814 108.800 -0.006 0.000 2.525 353 G HA2 -0.154 3.806 3.960 0.000 0.000 0.248 353 G HA3 -0.154 3.806 3.960 0.000 0.000 0.248 353 G C 0.610 175.518 174.900 0.014 0.000 1.238 353 G CA 0.352 45.454 45.100 0.003 0.000 0.926 353 G HN 0.603 nan 8.290 nan 0.000 0.574 354 S N -1.238 114.476 115.700 0.023 0.000 3.916 354 S HA 0.320 4.791 4.470 0.000 0.000 0.231 354 S C -0.299 174.317 174.600 0.027 0.000 1.161 354 S CA 1.210 59.421 58.200 0.019 0.000 0.938 354 S CB -0.590 62.619 63.200 0.015 0.000 1.170 354 S HN 0.734 nan 8.310 nan 0.000 0.508 355 P HA 0.168 nan 4.420 nan 0.000 0.198 355 P C -0.071 177.262 177.300 0.056 0.000 1.043 355 P CA 1.729 64.858 63.100 0.048 0.000 0.892 355 P CB -0.424 31.311 31.700 0.058 0.000 0.701 356 D N -2.767 117.680 120.400 0.078 0.000 3.041 356 D HA -0.084 4.556 4.640 0.000 0.000 0.220 356 D C -0.136 176.215 176.300 0.085 0.000 1.157 356 D CA 1.260 55.309 54.000 0.082 0.000 0.876 356 D CB -1.483 39.346 40.800 0.048 0.000 1.107 356 D HN 0.488 nan 8.370 nan 0.000 0.422 357 G N -0.855 108.017 108.800 0.119 0.000 2.753 357 G HA2 0.440 4.400 3.960 0.000 0.000 0.297 357 G HA3 0.440 4.400 3.960 0.000 0.000 0.297 357 G C 0.602 175.613 174.900 0.186 0.000 1.430 357 G CA -0.293 44.898 45.100 0.151 0.000 1.040 357 G HN 0.205 nan 8.290 nan 0.000 0.530 358 I N 2.753 123.493 120.570 0.283 0.000 2.185 358 I HA -0.210 3.960 4.170 0.000 0.000 0.246 358 I C 2.471 178.616 176.117 0.045 0.000 1.088 358 I CA 1.873 63.263 61.300 0.150 0.000 1.347 358 I CB -0.033 38.010 38.000 0.072 0.000 1.041 358 I HN 0.285 nan 8.210 nan 0.000 0.415 359 V N 1.036 120.978 119.914 0.048 0.000 2.343 359 V HA -0.275 3.845 4.120 0.000 0.000 0.247 359 V C 2.258 178.366 176.094 0.023 0.000 1.051 359 V CA 2.205 64.513 62.300 0.014 0.000 1.036 359 V CB -1.058 30.775 31.823 0.016 0.000 0.654 359 V HN 0.426 nan 8.190 nan 0.000 0.451 360 D N 0.228 120.654 120.400 0.044 0.000 2.084 360 D HA -0.123 4.517 4.640 0.000 0.000 0.196 360 D C 2.150 178.476 176.300 0.043 0.000 0.985 360 D CA 1.008 55.033 54.000 0.043 0.000 0.826 360 D CB -0.271 40.560 40.800 0.052 0.000 0.978 360 D HN 0.219 nan 8.370 nan 0.000 0.456 361 L N 1.084 122.342 121.223 0.059 0.000 2.043 361 L HA -0.167 4.173 4.340 0.000 0.000 0.212 361 L C 2.621 179.506 176.870 0.026 0.000 1.075 361 L CA 1.114 55.987 54.840 0.055 0.000 0.752 361 L CB -1.164 40.940 42.059 0.075 0.000 0.891 361 L HN 0.086 nan 8.230 nan 0.000 0.432 362 L N -1.771 119.455 121.223 0.005 0.000 2.012 362 L HA -0.236 4.104 4.340 0.000 0.000 0.210 362 L C 2.410 179.280 176.870 0.001 0.000 1.073 362 L CA 0.909 55.742 54.840 -0.013 0.000 0.748 362 L CB -0.456 41.584 42.059 -0.032 0.000 0.891 362 L HN 0.098 nan 8.230 nan 0.000 0.431 363 V N -0.399 119.519 119.914 0.008 0.000 2.379 363 V HA -0.207 3.913 4.120 0.000 0.000 0.245 363 V C 2.670 178.775 176.094 0.019 0.000 1.044 363 V CA 1.566 63.873 62.300 0.012 0.000 1.036 363 V CB -0.751 31.080 31.823 0.013 0.000 0.664 363 V HN 0.459 nan 8.190 nan 0.000 0.453 364 A N 0.945 123.781 122.820 0.026 0.000 1.877 364 A HA -0.205 4.115 4.320 0.000 0.000 0.216 364 A C 2.451 180.056 177.584 0.035 0.000 1.186 364 A CA 2.232 54.288 52.037 0.032 0.000 0.620 364 A CB -0.787 18.237 19.000 0.040 0.000 0.822 364 A HN 0.683 nan 8.150 nan 0.000 0.443 365 S N -1.459 114.261 115.700 0.035 0.000 2.603 365 S HA 0.324 4.794 4.470 0.000 0.000 0.229 365 S C 1.406 176.024 174.600 0.029 0.000 0.972 365 S CA 1.110 59.332 58.200 0.038 0.000 0.935 365 S CB -0.616 62.603 63.200 0.033 0.000 0.769 365 S HN 2.016 nan 8.310 nan 0.000 0.536 366 G N 0.758 109.572 108.800 0.023 0.000 2.143 366 G HA2 -0.242 3.718 3.960 0.000 0.000 0.248 366 G HA3 -0.242 3.718 3.960 0.000 0.000 0.248 366 G C 0.430 175.338 174.900 0.013 0.000 0.991 366 G CA 0.489 45.601 45.100 0.020 0.000 0.689 366 G HN 0.519 nan 8.290 nan 0.000 0.522 367 L N -0.424 120.802 121.223 0.006 0.000 2.127 367 L HA 0.199 4.539 4.340 0.000 0.000 0.203 367 L C 1.361 178.228 176.870 -0.005 0.000 1.080 367 L CA 1.299 56.138 54.840 -0.003 0.000 0.768 367 L CB 0.025 42.073 42.059 -0.018 0.000 0.924 367 L HN 0.280 nan 8.230 nan 0.000 0.444 368 S N -1.341 114.356 115.700 -0.006 0.000 2.472 368 S HA 0.495 4.965 4.470 0.000 0.000 0.303 368 S C 0.696 175.297 174.600 0.002 0.000 1.099 368 S CA -0.198 57.999 58.200 -0.006 0.000 1.077 368 S CB 2.079 65.271 63.200 -0.014 0.000 1.031 368 S HN 0.251 nan 8.310 nan 0.000 0.487 369 A N 3.306 126.128 122.820 0.003 0.000 1.832 369 A HA 0.092 4.412 4.320 0.000 0.000 0.214 369 A C 1.004 178.593 177.584 0.007 0.000 1.200 369 A CA 0.883 52.925 52.037 0.007 0.000 0.610 369 A CB -0.598 18.406 19.000 0.007 0.000 0.842 369 A HN 0.697 nan 8.150 nan 0.000 0.444 370 S N -0.901 114.803 115.700 0.006 0.000 2.654 370 S HA 0.418 4.888 4.470 0.000 0.000 0.283 370 S C 0.394 174.997 174.600 0.006 0.000 1.180 370 S CA -0.619 57.585 58.200 0.008 0.000 1.021 370 S CB 1.645 64.850 63.200 0.009 0.000 1.018 370 S HN 0.373 nan 8.310 nan 0.000 0.532 371 K N 1.124 121.529 120.400 0.009 0.000 2.209 371 K HA -0.057 4.263 4.320 0.000 0.000 0.204 371 K C 2.172 178.776 176.600 0.007 0.000 1.048 371 K CA 1.096 57.388 56.287 0.008 0.000 0.940 371 K CB -0.549 31.959 32.500 0.013 0.000 0.729 371 K HN 0.788 nan 8.250 nan 0.000 0.451 372 G N 1.264 110.070 108.800 0.011 0.000 2.421 372 G HA2 -0.279 3.681 3.960 0.000 0.000 0.216 372 G HA3 -0.279 3.681 3.960 0.000 0.000 0.216 372 G C 1.626 176.532 174.900 0.010 0.000 1.171 372 G CA 0.930 46.040 45.100 0.016 0.000 0.775 372 G HN 0.348 nan 8.290 nan 0.000 0.543 373 A N 1.203 124.026 122.820 0.005 0.000 1.908 373 A HA 0.219 4.539 4.320 0.000 0.000 0.218 373 A C 2.829 180.404 177.584 -0.015 0.000 1.181 373 A CA 2.366 54.403 52.037 -0.000 0.000 0.627 373 A CB -0.844 18.156 19.000 -0.000 0.000 0.818 373 A HN 0.812 nan 8.150 nan 0.000 0.445 374 A N -0.072 122.735 122.820 -0.022 0.000 1.865 374 A HA -0.207 4.113 4.320 0.000 0.000 0.217 374 A C 2.233 179.768 177.584 -0.082 0.000 1.191 374 A CA 1.702 53.712 52.037 -0.045 0.000 0.623 374 A CB -0.566 18.413 19.000 -0.035 0.000 0.826 374 A HN 0.559 nan 8.150 nan 0.000 0.444 375 R N -1.055 119.402 120.500 -0.072 0.000 2.096 375 R HA -0.181 4.159 4.340 0.000 0.000 0.240 375 R C 2.586 178.806 176.300 -0.133 0.000 1.139 375 R CA 1.696 57.717 56.100 -0.131 0.000 0.952 375 R CB -0.432 29.863 30.300 -0.009 0.000 0.854 375 R HN 0.537 nan 8.270 nan 0.000 0.436 376 R N 0.574 121.068 120.500 -0.010 0.000 2.103 376 R HA -0.166 4.174 4.340 0.000 0.000 0.234 376 R C 2.281 178.584 176.300 0.005 0.000 1.132 376 R CA 2.608 58.732 56.100 0.039 0.000 0.925 376 R CB -0.691 29.629 30.300 0.032 0.000 0.842 376 R HN 0.402 nan 8.270 nan 0.000 0.430 377 T N 0.016 114.554 114.554 -0.027 0.000 2.720 377 T HA -0.157 4.193 4.350 0.000 0.000 0.268 377 T C 2.157 176.820 174.700 -0.063 0.000 1.037 377 T CA 1.597 63.677 62.100 -0.033 0.000 1.144 377 T CB -0.545 68.301 68.868 -0.036 0.000 0.864 377 T HN 0.261 nan 8.240 nan 0.000 0.444 378 I N 1.163 121.653 120.570 -0.134 0.000 2.151 378 I HA -0.253 3.917 4.170 0.000 0.000 0.243 378 I C 2.673 178.708 176.117 -0.137 0.000 1.080 378 I CA 1.677 62.861 61.300 -0.193 0.000 1.339 378 I CB -0.447 37.359 38.000 -0.323 0.000 1.039 378 I HN 0.330 nan 8.210 nan 0.000 0.409 379 H N 0.495 119.559 119.070 -0.010 0.000 2.555 379 H HA 0.008 4.564 4.556 0.000 0.000 0.269 379 H C 1.197 176.521 175.328 -0.006 0.000 0.988 379 H CA 0.688 56.733 56.048 -0.005 0.000 1.178 379 H CB -0.158 29.604 29.762 0.001 0.000 1.373 379 H HN 0.515 nan 8.280 nan 0.000 0.588 380 E N -0.259 119.991 120.200 0.083 0.000 2.444 380 E HA 0.163 4.513 4.350 0.000 0.000 0.191 380 E C 1.244 177.855 176.600 0.019 0.000 1.041 380 E CA 0.186 56.612 56.400 0.043 0.000 0.883 380 E CB 0.507 30.223 29.700 0.026 0.000 1.024 380 E HN 0.454 nan 8.360 nan 0.000 0.470 381 G N 1.053 109.861 108.800 0.014 0.000 2.196 381 G HA2 -0.367 3.593 3.960 0.000 0.000 0.268 381 G HA3 -0.367 3.593 3.960 0.000 0.000 0.268 381 G C 1.006 175.890 174.900 -0.027 0.000 0.975 381 G CA 0.313 45.409 45.100 -0.007 0.000 0.648 381 G HN 0.519 nan 8.290 nan 0.000 0.538 382 G N -0.936 107.847 108.800 -0.029 0.000 2.744 382 G HA2 0.346 4.306 3.960 0.000 0.000 0.211 382 G HA3 0.346 4.306 3.960 0.000 0.000 0.211 382 G C 0.612 175.480 174.900 -0.054 0.000 1.143 382 G CA 0.966 46.047 45.100 -0.032 0.000 0.788 382 G HN 0.887 nan 8.290 nan 0.000 0.534 383 V N 1.115 120.979 119.914 -0.083 0.000 2.472 383 V HA 0.587 4.707 4.120 0.000 0.000 0.290 383 V C -0.351 175.651 176.094 -0.154 0.000 1.037 383 V CA -0.570 61.657 62.300 -0.121 0.000 0.908 383 V CB 1.611 33.344 31.823 -0.150 0.000 0.985 383 V HN 0.197 nan 8.190 nan 0.000 0.454 384 S N 3.040 118.637 115.700 -0.171 0.000 2.547 384 S HA 0.668 5.138 4.470 0.000 0.000 0.281 384 S C -0.812 173.637 174.600 -0.253 0.000 1.118 384 S CA -0.724 57.357 58.200 -0.199 0.000 0.947 384 S CB 1.877 64.998 63.200 -0.131 0.000 1.053 384 S HN 0.380 nan 8.310 nan 0.000 0.482 385 V N 3.294 122.999 119.914 -0.348 0.000 2.394 385 V HA 0.413 4.534 4.120 0.000 0.000 0.282 385 V C 0.075 176.046 176.094 -0.204 0.000 1.031 385 V CA -0.773 61.322 62.300 -0.342 0.000 0.881 385 V CB 0.697 32.156 31.823 -0.606 0.000 0.982 385 V HN 1.003 nan 8.190 nan 0.000 0.451 386 N N 4.670 123.283 118.700 -0.144 0.000 2.721 386 N HA -0.212 4.528 4.740 0.000 0.000 0.249 386 N C 0.692 176.154 175.510 -0.079 0.000 1.072 386 N CA 1.084 54.079 53.050 -0.093 0.000 0.710 386 N CB -1.087 37.363 38.487 -0.062 0.000 0.993 386 N HN 0.885 nan 8.380 nan 0.000 0.547 387 N N -2.244 116.400 118.700 -0.093 0.000 2.936 387 N HA -0.212 4.528 4.740 0.000 0.000 0.236 387 N C -0.302 175.172 175.510 -0.060 0.000 0.930 387 N CA 1.386 54.396 53.050 -0.067 0.000 0.966 387 N CB -1.101 37.360 38.487 -0.042 0.000 1.090 387 N HN 0.618 nan 8.380 nan 0.000 0.592 388 I N 1.340 121.866 120.570 -0.075 0.000 2.353 388 I HA 0.212 4.382 4.170 0.000 0.000 0.293 388 I C 1.178 177.232 176.117 -0.105 0.000 0.992 388 I CA -0.588 60.675 61.300 -0.062 0.000 1.268 388 I CB 1.561 39.542 38.000 -0.031 0.000 1.387 388 I HN -0.030 nan 8.210 nan 0.000 0.478 389 R N 4.497 124.949 120.500 -0.079 0.000 2.641 389 R HA 0.444 4.784 4.340 0.000 0.000 0.269 389 R C -1.183 175.040 176.300 -0.130 0.000 1.074 389 R CA -0.300 55.740 56.100 -0.100 0.000 1.133 389 R CB 0.963 31.230 30.300 -0.057 0.000 1.029 389 R HN 0.447 nan 8.270 nan 0.000 0.488 390 V N 4.804 124.613 119.914 -0.175 0.000 2.326 390 V HA 0.106 4.226 4.120 0.000 0.000 0.281 390 V C -0.034 176.006 176.094 -0.090 0.000 1.015 390 V CA -0.505 61.673 62.300 -0.202 0.000 0.823 390 V CB 1.352 32.920 31.823 -0.426 0.000 1.009 390 V HN 0.900 nan 8.190 nan 0.000 0.436 391 D N 2.142 122.537 120.400 -0.009 0.000 2.120 391 D HA -0.063 4.577 4.640 0.000 0.000 0.202 391 D C 1.014 177.359 176.300 0.075 0.000 0.972 391 D CA 0.684 54.709 54.000 0.041 0.000 0.837 391 D CB 0.185 41.021 40.800 0.060 0.000 0.989 391 D HN 0.564 nan 8.370 nan 0.000 0.469 392 N N 1.675 120.436 118.700 0.101 0.000 2.475 392 N HA -0.070 4.670 4.740 0.000 0.000 0.267 392 N C 0.821 176.400 175.510 0.115 0.000 1.169 392 N CA 0.084 53.216 53.050 0.136 0.000 0.947 392 N CB 1.657 40.250 38.487 0.176 0.000 1.061 392 N HN 0.030 nan 8.380 nan 0.000 0.466 393 E N 2.846 123.107 120.200 0.102 0.000 2.204 393 E HA -0.192 4.158 4.350 0.000 0.000 0.194 393 E C 1.130 177.781 176.600 0.085 0.000 0.989 393 E CA 1.492 57.914 56.400 0.037 0.000 0.824 393 E CB 0.159 29.906 29.700 0.078 0.000 0.756 393 E HN 0.804 nan 8.360 nan 0.000 0.477 394 E N 0.233 120.504 120.200 0.117 0.000 2.463 394 E HA 0.020 4.370 4.350 0.000 0.000 0.193 394 E C -0.205 176.480 176.600 0.142 0.000 1.041 394 E CA -0.250 56.214 56.400 0.106 0.000 0.879 394 E CB -0.963 28.777 29.700 0.068 0.000 0.997 394 E HN 0.435 nan 8.360 nan 0.000 0.478 395 W N 0.176 121.470 121.300 -0.011 0.000 2.571 395 W HA 0.158 4.818 4.660 0.000 0.000 0.334 395 W C 0.023 176.533 176.519 -0.016 0.000 1.141 395 W CA 0.986 58.321 57.345 -0.016 0.000 1.299 395 W CB 0.407 29.850 29.460 -0.028 0.000 1.154 395 W HN 0.138 nan 8.180 nan 0.000 0.563 396 V N 9.152 128.687 119.914 -0.631 0.000 2.656 396 V HA 0.443 4.563 4.120 0.000 0.000 0.307 396 V C -1.725 173.597 176.094 -1.287 0.000 1.051 396 V CA -2.371 59.571 62.300 -0.597 0.000 0.893 396 V CB 2.268 33.903 31.823 -0.314 0.000 0.999 396 V HN 0.442 nan 8.190 nan 0.000 0.426 397 P HA 0.138 nan 4.420 nan 0.000 0.276 397 P C -0.618 176.480 177.300 -0.337 0.000 1.264 397 P CA 0.079 62.786 63.100 -0.655 0.000 0.769 397 P CB 0.638 32.266 31.700 -0.120 0.000 0.840 398 Q N 2.120 121.716 119.800 -0.339 0.000 2.492 398 Q HA 0.036 4.376 4.340 0.000 0.000 0.238 398 Q C 1.501 177.533 176.000 0.054 0.000 1.045 398 Q CA -0.061 55.665 55.803 -0.129 0.000 0.934 398 Q CB 0.630 29.299 28.738 -0.116 0.000 1.276 398 Q HN 0.400 nan 8.270 nan 0.000 0.521 399 S N 0.383 116.139 115.700 0.094 0.000 2.368 399 S HA -0.154 4.316 4.470 0.000 0.000 0.225 399 S C 1.659 176.391 174.600 0.220 0.000 1.030 399 S CA 1.797 60.107 58.200 0.184 0.000 0.999 399 S CB -0.275 62.971 63.200 0.077 0.000 0.844 399 S HN 0.748 nan 8.310 nan 0.000 0.459 400 S N 0.421 116.189 115.700 0.113 0.000 2.555 400 S HA -0.010 4.460 4.470 0.000 0.000 0.230 400 S C 1.202 175.856 174.600 0.089 0.000 0.978 400 S CA 0.776 59.032 58.200 0.093 0.000 0.934 400 S CB -0.400 62.829 63.200 0.049 0.000 0.766 400 S HN 0.455 nan 8.310 nan 0.000 0.533 401 D N 1.238 121.676 120.400 0.063 0.000 2.178 401 D HA 0.099 4.739 4.640 0.000 0.000 0.202 401 D C -0.068 176.199 176.300 -0.056 0.000 0.974 401 D CA 0.409 54.394 54.000 -0.025 0.000 0.841 401 D CB -0.359 40.383 40.800 -0.096 0.000 0.953 401 D HN 0.444 nan 8.370 nan 0.000 0.478 402 F N 1.327 121.314 119.950 0.062 0.000 2.543 402 F HA 0.024 4.551 4.527 0.000 0.000 0.375 402 F C 0.650 176.480 175.800 0.050 0.000 1.075 402 F CA -0.640 57.399 58.000 0.064 0.000 1.225 402 F CB 0.323 39.342 39.000 0.032 0.000 1.099 402 F HN -0.228 nan 8.300 nan 0.000 0.561 403 L N 5.614 126.968 121.223 0.218 0.000 2.410 403 L HA 0.094 4.434 4.340 0.000 0.000 0.273 403 L C 0.706 177.680 176.870 0.173 0.000 1.144 403 L CA -0.257 54.623 54.840 0.066 0.000 0.863 403 L CB -0.793 41.274 42.059 0.013 0.000 1.140 403 L HN 0.638 nan 8.230 nan 0.000 0.463 404 H N 2.338 121.525 119.070 0.195 0.000 2.776 404 H HA -0.216 4.340 4.556 0.000 0.000 0.300 404 H C 1.521 176.913 175.328 0.107 0.000 1.161 404 H CA 0.913 57.055 56.048 0.156 0.000 1.147 404 H CB -1.446 28.437 29.762 0.201 0.000 1.366 404 H HN 0.997 nan 8.280 nan 0.000 0.397 405 G N -0.645 108.265 108.800 0.182 0.000 2.205 405 G HA2 -0.434 3.526 3.960 0.000 0.000 0.269 405 G HA3 -0.434 3.526 3.960 0.000 0.000 0.269 405 G C 1.346 176.202 174.900 -0.073 0.000 0.977 405 G CA 1.115 46.252 45.100 0.063 0.000 0.652 405 G HN 0.583 nan 8.290 nan 0.000 0.539 406 R N -2.105 118.387 120.500 -0.014 0.000 2.310 406 R HA 0.281 4.622 4.340 0.000 0.000 0.199 406 R C 0.082 176.220 176.300 -0.270 0.000 0.891 406 R CA 0.125 56.018 56.100 -0.345 0.000 1.060 406 R CB 0.516 30.427 30.300 -0.649 0.000 1.188 406 R HN 0.396 nan 8.270 nan 0.000 0.607 407 W N 1.098 122.592 121.300 0.323 0.000 2.785 407 W HA 0.525 5.185 4.660 0.000 0.000 0.333 407 W C -0.894 175.714 176.519 0.148 0.000 1.062 407 W CA -0.654 56.828 57.345 0.228 0.000 1.233 407 W CB 1.286 30.811 29.460 0.108 0.000 1.413 407 W HN -0.215 nan 8.180 nan 0.000 0.489 408 L N 3.100 124.520 121.223 0.329 0.000 2.342 408 L HA 0.736 5.076 4.340 0.000 0.000 0.271 408 L C -0.576 176.348 176.870 0.090 0.000 1.008 408 L CA -1.466 53.420 54.840 0.076 0.000 0.818 408 L CB 1.759 43.779 42.059 -0.065 0.000 1.296 408 L HN 0.053 nan 8.230 nan 0.000 0.427 409 V N 3.961 123.866 119.914 -0.015 0.000 2.326 409 V HA 0.383 4.503 4.120 0.000 0.000 0.281 409 V C 0.110 176.137 176.094 -0.112 0.000 1.015 409 V CA -0.422 61.839 62.300 -0.066 0.000 0.823 409 V CB 1.430 33.188 31.823 -0.109 0.000 1.009 409 V HN 0.500 nan 8.190 nan 0.000 0.436 410 L N 4.703 125.864 121.223 -0.103 0.000 2.399 410 L HA 0.726 5.066 4.340 0.000 0.000 0.266 410 L C 0.140 176.931 176.870 -0.132 0.000 1.114 410 L CA -0.500 54.263 54.840 -0.128 0.000 0.804 410 L CB 1.230 43.230 42.059 -0.098 0.000 1.146 410 L HN 0.611 nan 8.230 nan 0.000 0.451 411 R N 1.681 122.102 120.500 -0.131 0.000 2.566 411 R HA 0.433 4.773 4.340 0.000 0.000 0.271 411 R C -1.340 174.913 176.300 -0.079 0.000 1.071 411 R CA -0.731 55.304 56.100 -0.109 0.000 0.915 411 R CB 1.997 32.224 30.300 -0.122 0.000 1.228 411 R HN 0.624 nan 8.270 nan 0.000 0.449 412 R N 2.537 123.010 120.500 -0.045 0.000 2.514 412 R HA 0.495 4.836 4.340 0.000 0.000 0.301 412 R C 0.128 176.429 176.300 0.001 0.000 0.962 412 R CA 0.641 56.724 56.100 -0.028 0.000 0.882 412 R CB 1.606 31.893 30.300 -0.022 0.000 1.143 412 R HN 0.905 nan 8.270 nan 0.000 0.452 413 G N 1.811 110.611 108.800 -0.001 0.000 2.614 413 G HA2 -0.439 3.521 3.960 0.000 0.000 0.303 413 G HA3 -0.439 3.521 3.960 0.000 0.000 0.303 413 G C 0.247 175.169 174.900 0.037 0.000 1.270 413 G CA 0.678 45.788 45.100 0.016 0.000 0.988 413 G HN 0.703 nan 8.290 nan 0.000 0.551 414 K N -0.697 119.743 120.400 0.065 0.000 2.438 414 K HA 0.775 5.095 4.320 0.000 0.000 0.205 414 K C 1.933 178.662 176.600 0.215 0.000 1.033 414 K CA 1.507 57.862 56.287 0.114 0.000 1.089 414 K CB 0.336 32.880 32.500 0.073 0.000 0.857 414 K HN 1.778 nan 8.250 nan 0.000 0.522 415 R N -0.085 120.535 120.500 0.201 0.000 2.492 415 R HA 0.326 4.666 4.340 0.000 0.000 0.219 415 R C 0.883 177.384 176.300 0.336 0.000 0.886 415 R CA 0.991 57.233 56.100 0.235 0.000 1.003 415 R CB -0.208 30.142 30.300 0.082 0.000 1.345 415 R HN 0.356 nan 8.270 nan 0.000 0.631 416 S N 1.213 117.026 115.700 0.188 0.000 2.456 416 S HA 0.738 5.208 4.470 0.000 0.000 0.316 416 S C -0.165 174.451 174.600 0.026 0.000 1.089 416 S CA -0.554 57.717 58.200 0.118 0.000 1.101 416 S CB 0.733 63.969 63.200 0.060 0.000 0.995 416 S HN 0.664 nan 8.310 nan 0.000 0.468 417 I N -0.571 119.987 120.570 -0.020 0.000 2.828 417 I HA 1.016 5.186 4.170 0.000 0.000 0.302 417 I C -0.729 175.348 176.117 -0.066 0.000 1.101 417 I CA -1.319 59.907 61.300 -0.123 0.000 1.031 417 I CB 1.962 39.761 38.000 -0.336 0.000 1.231 417 I HN 0.684 nan 8.210 nan 0.000 0.427 418 A N 2.904 125.684 122.820 -0.065 0.000 2.556 418 A HA 0.923 5.243 4.320 0.000 0.000 0.294 418 A C -0.472 177.104 177.584 -0.013 0.000 1.091 418 A CA -0.326 51.698 52.037 -0.022 0.000 0.704 418 A CB 1.429 20.429 19.000 -0.000 0.000 1.300 418 A HN 1.136 nan 8.150 nan 0.000 0.406 419 G N -1.005 107.820 108.800 0.042 0.000 2.552 419 G HA2 0.614 4.574 3.960 0.000 0.000 0.324 419 G HA3 0.614 4.574 3.960 0.000 0.000 0.324 419 G C -1.350 173.654 174.900 0.173 0.000 1.217 419 G CA -0.659 44.512 45.100 0.118 0.000 0.989 419 G HN 1.233 nan 8.290 nan 0.000 0.490 420 V N 0.255 120.324 119.914 0.259 0.000 2.567 420 V HA 0.365 4.485 4.120 0.000 0.000 0.298 420 V C -0.610 175.626 176.094 0.236 0.000 1.047 420 V CA -0.722 61.709 62.300 0.218 0.000 0.880 420 V CB 1.555 33.482 31.823 0.173 0.000 1.009 420 V HN 0.860 nan 8.190 nan 0.000 0.429 421 E N 4.514 124.760 120.200 0.078 0.000 2.113 421 E HA 0.399 4.749 4.350 0.000 0.000 0.273 421 E C -0.021 176.477 176.600 -0.171 0.000 0.924 421 E CA -0.741 55.518 56.400 -0.234 0.000 0.764 421 E CB 1.089 30.563 29.700 -0.377 0.000 1.104 421 E HN 0.594 nan 8.360 nan 0.000 0.406 422 R N 4.814 125.173 120.500 -0.235 0.000 2.537 422 R HA 0.165 4.505 4.340 0.000 0.000 0.280 422 R C -0.407 175.731 176.300 -0.269 0.000 1.058 422 R CA 0.128 56.051 56.100 -0.295 0.000 1.057 422 R CB 0.412 30.340 30.300 -0.620 0.000 0.973 422 R HN 0.521 nan 8.270 nan 0.000 0.438 423 I N 1.673 122.127 120.570 -0.194 0.000 2.969 423 I HA 0.473 4.643 4.170 0.000 0.000 0.307 423 I C 0.498 176.541 176.117 -0.124 0.000 1.149 423 I CA -0.509 60.703 61.300 -0.146 0.000 1.008 423 I CB 1.976 39.916 38.000 -0.100 0.000 1.232 423 I HN 0.813 nan 8.210 nan 0.000 0.435 424 G N 0.000 108.739 108.800 -0.101 0.000 5.446 424 G HA2 0.000 3.960 3.960 0.000 0.000 0.244 424 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 424 G CA 0.000 45.052 45.100 -0.081 0.000 0.502 424 G HN 0.000 nan 8.290 nan 0.000 0.925