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 1hoo_1_B DATA FIRST_RESID 1 DATA SEQUENCE GNNVVVLGTQ WGDEGKGKIV DLLTERAKYV VRYQGGHNAG HTLVINGEKT DATA SEQUENCE VLHLIPSGIL RENVTSIIGN GVVLSPAALM KEMKELEDRG IPVRERLLLS DATA SEQUENCE EACPLILDYH VALDNAREKA RGAKAIGTTG RGIGPAYEDK VARRGLRVGD DATA SEQUENCE LFDKETFAEK LKEVMEYHNF QLVNYYKAEA VDYQKVLDDT MAVADILTSM DATA SEQUENCE VVDVSDLLDQ ARQRGDFVMF EGAQGTLLDI DHGTYPYVTS SNTTAGGVAT DATA SEQUENCE GSGLGPRYVD YVLGILKAYS TRVGAGPFPT ELFDETGEFL CKQGNEFGAT DATA SEQUENCE TGRRRRTGWL DTVAVRRAVQ LNSLSGFCLT KLDVLDGLKE VKLCVAYRMP DATA SEQUENCE DGREVTTTPL AADDWKGVEP IYETMPGWSE STFGVKDRSG LPQAALNYIK DATA SEQUENCE RIEELTGVPI DIISTGPDRT ETMILRDPFD A VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 G HA2 0.000 nan 3.960 nan 0.000 0.244 1 G HA3 0.000 3.980 3.960 0.034 0.000 0.244 1 G C 0.000 174.887 174.900 -0.022 0.000 0.946 1 G CA 0.000 45.109 45.100 0.015 0.000 0.502 2 N N -2.002 116.740 118.700 0.071 0.000 2.432 2 N HA 0.034 nan 4.740 nan 0.000 0.174 2 N C -0.460 175.189 175.510 0.232 0.000 1.037 2 N CA 1.185 54.327 53.050 0.154 0.000 0.892 2 N CB 1.851 40.485 38.487 0.244 0.000 1.049 2 N HN -0.387 8.201 8.380 0.093 -0.152 0.442 3 N N 0.571 119.386 118.700 0.192 0.000 2.462 3 N HA 0.290 nan 4.740 nan 0.000 0.242 3 N C -2.036 173.576 175.510 0.170 0.000 1.010 3 N CA 0.036 53.248 53.050 0.270 0.000 0.939 3 N CB 0.353 38.980 38.487 0.233 0.000 1.127 3 N HN 0.112 9.124 8.380 0.148 -0.543 0.509 4 V N 5.554 125.584 119.914 0.192 0.000 2.459 4 V HA 0.674 nan 4.120 nan 0.000 0.295 4 V C -1.492 174.724 176.094 0.204 0.000 1.029 4 V CA -0.974 61.349 62.300 0.039 0.000 0.874 4 V CB 2.365 33.936 31.823 -0.419 0.000 0.985 4 V HN 0.926 9.317 8.190 0.335 0.000 0.438 5 V N 7.521 127.509 119.914 0.124 0.000 2.435 5 V HA 0.707 nan 4.120 nan 0.000 0.290 5 V C -1.512 174.664 176.094 0.136 0.000 1.030 5 V CA -1.149 61.243 62.300 0.152 0.000 0.881 5 V CB 1.727 33.549 31.823 -0.002 0.000 0.983 5 V HN 1.048 9.174 8.190 0.076 0.109 0.445 6 V N 7.043 127.068 119.914 0.185 0.000 2.376 6 V HA 0.870 nan 4.120 nan 0.000 0.287 6 V C -1.784 174.399 176.094 0.147 0.000 1.015 6 V CA -1.079 61.304 62.300 0.140 0.000 0.834 6 V CB 0.361 32.260 31.823 0.126 0.000 1.001 6 V HN 1.046 9.395 8.190 0.265 0.000 0.428 7 L N 3.454 124.743 121.223 0.111 0.000 2.409 7 L HA 0.839 nan 4.340 nan 0.000 0.255 7 L C -1.337 175.570 176.870 0.061 0.000 1.027 7 L CA -2.456 52.443 54.840 0.099 0.000 0.834 7 L CB 2.107 44.242 42.059 0.126 0.000 1.426 7 L HN 0.471 8.755 8.230 0.091 0.000 0.411 8 G N -2.314 106.509 108.800 0.038 0.000 2.355 8 G HA2 0.113 nan 3.960 nan 0.000 0.276 8 G HA3 0.113 nan 3.960 nan 0.000 0.276 8 G C -0.016 174.875 174.900 -0.014 0.000 1.198 8 G CA -0.347 44.757 45.100 0.007 0.000 0.876 8 G HN 0.379 8.695 8.290 0.043 0.000 0.478 9 T N 0.540 115.078 114.554 -0.027 0.000 3.107 9 T HA 0.115 nan 4.350 nan 0.000 0.249 9 T C 0.255 174.839 174.700 -0.193 0.000 1.096 9 T CA 0.604 62.673 62.100 -0.052 0.000 1.012 9 T CB -0.277 68.620 68.868 0.049 0.000 0.977 9 T HN 0.022 8.252 8.240 -0.017 0.000 0.527 10 Q N -0.567 119.082 119.800 -0.253 0.000 3.081 10 Q HA 0.292 nan 4.340 nan 0.000 0.207 10 Q C -0.499 175.175 176.000 -0.543 0.000 1.170 10 Q CA -0.172 55.313 55.803 -0.530 0.000 0.327 10 Q CB 2.375 30.881 28.738 -0.388 0.000 5.799 10 Q HN -0.542 7.824 8.270 -0.164 -0.194 0.306 11 W N -0.775 120.457 121.300 -0.115 0.000 2.164 11 W HA 0.237 nan 4.660 nan 0.000 0.370 11 W C -0.429 176.022 176.519 -0.113 0.000 0.747 11 W CA -0.882 56.384 57.345 -0.132 0.000 2.688 11 W CB -0.256 29.063 29.460 -0.236 0.000 1.826 11 W HN 0.417 8.578 8.180 -0.033 0.000 0.721 12 G N 0.120 108.955 108.800 0.058 0.000 2.814 12 G HA2 -0.358 nan 3.960 nan 0.000 0.677 12 G HA3 -0.358 nan 3.960 nan 0.000 0.677 12 G C -1.961 172.941 174.900 0.003 0.000 1.429 12 G CA -0.350 44.767 45.100 0.029 0.000 0.868 12 G HN -0.409 7.991 8.290 0.002 -0.109 0.553 13 D N -3.210 117.182 120.400 -0.012 0.000 2.800 13 D HA -0.399 nan 4.640 nan 0.000 0.232 13 D C 0.474 176.738 176.300 -0.060 0.000 1.137 13 D CA 1.462 55.443 54.000 -0.032 0.000 0.718 13 D CB -0.624 40.158 40.800 -0.030 0.000 1.084 13 D HN 0.448 8.814 8.370 -0.006 0.000 0.432 14 E N -1.161 119.005 120.200 -0.056 0.000 2.427 14 E HA -0.125 nan 4.350 nan 0.000 0.196 14 E C 0.494 177.060 176.600 -0.057 0.000 1.028 14 E CA 0.987 57.343 56.400 -0.073 0.000 0.864 14 E CB -0.090 29.577 29.700 -0.054 0.000 0.813 14 E HN 0.290 8.625 8.360 -0.041 0.000 0.514 15 G N -1.798 106.974 108.800 -0.047 0.000 2.638 15 G HA2 -0.280 nan 3.960 nan 0.000 0.269 15 G HA3 -0.280 nan 3.960 nan 0.000 0.269 15 G C -0.100 174.778 174.900 -0.036 0.000 1.141 15 G CA 0.328 45.405 45.100 -0.038 0.000 1.081 15 G HN 0.031 8.242 8.290 -0.048 0.050 0.527 16 K N -0.366 120.002 120.400 -0.054 0.000 2.334 16 K HA 0.019 nan 4.320 nan 0.000 0.195 16 K C 1.258 177.809 176.600 -0.081 0.000 1.045 16 K CA 0.027 56.290 56.287 -0.039 0.000 1.004 16 K CB -0.169 32.322 32.500 -0.015 0.000 0.837 16 K HN -0.176 8.034 8.250 -0.067 0.000 0.510 17 G N 1.133 109.805 108.800 -0.213 0.000 2.469 17 G HA2 -0.331 nan 3.960 nan 0.000 0.219 17 G HA3 -0.331 nan 3.960 nan 0.000 0.219 17 G C 0.878 175.691 174.900 -0.144 0.000 1.150 17 G CA 1.994 46.820 45.100 -0.456 0.000 0.763 17 G HN 0.507 8.671 8.290 -0.210 0.000 0.561 18 K N 1.513 121.877 120.400 -0.061 0.000 2.097 18 K HA -0.115 nan 4.320 nan 0.000 0.205 18 K C 2.027 178.654 176.600 0.045 0.000 1.050 18 K CA 2.837 59.136 56.287 0.020 0.000 0.938 18 K CB -0.158 32.351 32.500 0.016 0.000 0.718 18 K HN -0.001 8.201 8.250 -0.081 0.000 0.442 19 I N -1.149 119.441 120.570 0.034 0.000 2.202 19 I HA -0.303 nan 4.170 nan 0.000 0.242 19 I C 2.066 178.232 176.117 0.082 0.000 1.091 19 I CA 2.049 63.381 61.300 0.053 0.000 1.368 19 I CB -1.315 36.713 38.000 0.048 0.000 1.058 19 I HN -0.336 7.880 8.210 0.011 0.000 0.410 20 V N 1.679 121.648 119.914 0.091 0.000 2.255 20 V HA -0.564 nan 4.120 nan 0.000 0.247 20 V C 2.019 178.210 176.094 0.161 0.000 1.051 20 V CA 5.144 67.528 62.300 0.140 0.000 1.018 20 V CB -1.112 30.816 31.823 0.175 0.000 0.641 20 V HN 0.585 8.810 8.190 0.059 0.000 0.445 21 D N -0.756 119.753 120.400 0.182 0.000 2.104 21 D HA -0.275 nan 4.640 nan 0.000 0.194 21 D C 2.686 179.048 176.300 0.103 0.000 0.994 21 D CA 3.213 57.302 54.000 0.149 0.000 0.830 21 D CB -0.307 40.594 40.800 0.169 0.000 0.959 21 D HN 0.036 8.407 8.370 0.193 0.115 0.452 22 L N -0.512 120.768 121.223 0.095 0.000 2.046 22 L HA -0.258 nan 4.340 nan 0.000 0.208 22 L C 2.239 179.175 176.870 0.109 0.000 1.077 22 L CA 2.730 57.619 54.840 0.082 0.000 0.747 22 L CB 0.149 42.249 42.059 0.068 0.000 0.896 22 L HN -0.154 8.132 8.230 0.093 0.000 0.432 23 L N -2.814 118.494 121.223 0.143 0.000 2.275 23 L HA -0.319 nan 4.340 nan 0.000 0.215 23 L C 2.248 179.255 176.870 0.229 0.000 1.119 23 L CA 2.540 57.521 54.840 0.235 0.000 0.790 23 L CB -0.670 41.536 42.059 0.244 0.000 0.919 23 L HN 0.262 8.569 8.230 0.128 0.000 0.443 24 T N -0.046 114.598 114.554 0.150 0.000 3.072 24 T HA -0.159 nan 4.350 nan 0.000 0.266 24 T C 1.417 176.145 174.700 0.046 0.000 1.127 24 T CA 2.984 65.145 62.100 0.101 0.000 1.107 24 T CB -0.920 67.990 68.868 0.070 0.000 0.910 24 T HN -0.142 8.065 8.240 0.137 0.115 0.513 25 E N 0.509 120.738 120.200 0.048 0.000 2.347 25 E HA -0.125 nan 4.350 nan 0.000 0.196 25 E C 0.992 177.580 176.600 -0.020 0.000 1.008 25 E CA 2.034 58.441 56.400 0.011 0.000 0.852 25 E CB 0.096 29.808 29.700 0.021 0.000 0.783 25 E HN -0.487 7.760 8.360 0.076 0.159 0.505 26 R N -4.155 116.332 120.500 -0.022 0.000 2.437 26 R HA 0.124 nan 4.340 nan 0.000 0.257 26 R C -1.270 174.932 176.300 -0.163 0.000 0.927 26 R CA -0.688 55.359 56.100 -0.087 0.000 1.078 26 R CB 1.122 31.393 30.300 -0.048 0.000 1.161 26 R HN -0.735 7.511 8.270 0.023 0.037 0.529 27 A N -2.148 120.603 122.820 -0.115 0.000 2.304 27 A HA 0.177 nan 4.320 nan 0.000 0.301 27 A C -0.297 177.222 177.584 -0.108 0.000 1.132 27 A CA -0.624 51.370 52.037 -0.071 0.000 0.819 27 A CB 1.228 20.290 19.000 0.103 0.000 1.094 27 A HN -0.923 7.081 8.150 -0.042 0.120 0.492 28 K N 1.449 121.772 120.400 -0.128 0.000 2.202 28 K HA 0.109 nan 4.320 nan 0.000 0.201 28 K C -0.916 175.317 176.600 -0.611 0.000 1.051 28 K CA 0.384 56.432 56.287 -0.398 0.000 0.977 28 K CB 2.057 34.284 32.500 -0.455 0.000 0.792 28 K HN 0.515 8.661 8.250 0.010 0.110 0.469 29 Y N -4.654 115.644 120.300 -0.003 0.000 2.492 29 Y HA 0.440 nan 4.550 nan 0.000 0.346 29 Y C -1.731 174.141 175.900 -0.046 0.000 0.997 29 Y CA -1.577 56.501 58.100 -0.035 0.000 1.025 29 Y CB 3.574 41.993 38.460 -0.068 0.000 1.263 29 Y HN -0.568 7.795 8.280 0.139 0.000 0.454 30 V N 1.569 121.542 119.914 0.098 0.000 2.483 30 V HA 0.644 nan 4.120 nan 0.000 0.297 30 V C -1.830 174.261 176.094 -0.005 0.000 1.027 30 V CA -0.699 61.625 62.300 0.039 0.000 0.855 30 V CB 1.222 33.077 31.823 0.053 0.000 0.995 30 V HN 0.123 8.382 8.190 0.115 0.000 0.424 31 V N 7.844 127.704 119.914 -0.091 0.000 2.487 31 V HA 0.629 nan 4.120 nan 0.000 0.298 31 V C -0.921 175.243 176.094 0.116 0.000 1.028 31 V CA -1.473 60.797 62.300 -0.049 0.000 0.860 31 V CB 2.299 33.968 31.823 -0.258 0.000 0.991 31 V HN 1.178 9.178 8.190 -0.140 0.106 0.427 32 R N 6.612 127.174 120.500 0.103 0.000 2.390 32 R HA 0.440 nan 4.340 nan 0.000 0.291 32 R C -0.202 176.185 176.300 0.145 0.000 1.070 32 R CA -1.258 54.879 56.100 0.060 0.000 1.014 32 R CB 0.973 31.289 30.300 0.027 0.000 1.007 32 R HN 0.708 9.024 8.270 0.077 0.000 0.466 33 Y N 0.002 120.402 120.300 0.166 0.000 2.610 33 Y HA 0.140 nan 4.550 nan 0.000 0.254 33 Y C -2.097 173.890 175.900 0.144 0.000 1.110 33 Y CA -2.129 56.073 58.100 0.170 0.000 1.238 33 Y CB 1.023 39.613 38.460 0.215 0.000 1.322 33 Y HN 0.152 8.113 8.280 -0.533 0.000 0.547 34 Q N -3.713 116.001 119.800 -0.143 0.000 2.575 34 Q HA 0.325 nan 4.340 nan 0.000 0.290 34 Q C -0.758 175.258 176.000 0.027 0.000 0.963 34 Q CA -1.118 54.693 55.803 0.014 0.000 0.783 34 Q CB 2.588 31.321 28.738 -0.008 0.000 1.467 34 Q HN -0.611 7.480 8.270 -0.298 0.000 0.402 35 G N 0.133 109.037 108.800 0.172 0.000 2.593 35 G HA2 -0.403 nan 3.960 nan 0.000 0.237 35 G HA3 -0.403 nan 3.960 nan 0.000 0.237 35 G C -1.738 173.218 174.900 0.094 0.000 1.312 35 G CA -0.215 44.974 45.100 0.148 0.000 0.896 35 G HN -0.264 8.196 8.290 0.284 0.000 0.574 36 G N -2.319 106.486 108.800 0.009 0.000 3.265 36 G HA2 0.287 nan 3.960 nan 0.000 0.171 36 G HA3 0.287 nan 3.960 nan 0.000 0.171 36 G C -1.390 173.522 174.900 0.021 0.000 1.110 36 G CA -0.042 45.050 45.100 -0.014 0.000 0.855 36 G HN -0.045 8.240 8.290 -0.007 0.000 0.658 37 H N -0.621 118.448 119.070 -0.003 0.000 2.768 37 H HA 0.147 nan 4.556 nan 0.000 0.228 37 H C -0.905 174.442 175.328 0.032 0.000 1.812 37 H CA -1.521 54.544 56.048 0.028 0.000 1.273 37 H CB -2.398 27.355 29.762 -0.014 0.000 1.631 37 H HN 0.252 8.427 8.280 -0.176 0.000 0.526 38 N N -1.785 116.918 118.700 0.005 0.000 2.390 38 N HA 0.057 nan 4.740 nan 0.000 0.259 38 N C -0.205 175.376 175.510 0.120 0.000 1.395 38 N CA -1.310 51.762 53.050 0.038 0.000 0.852 38 N CB 0.421 38.861 38.487 -0.078 0.000 1.371 38 N HN -0.409 7.902 8.380 0.036 0.091 0.491 39 A N -0.660 122.249 122.820 0.147 0.000 1.969 39 A HA -0.074 nan 4.320 nan 0.000 0.218 39 A C 0.434 178.073 177.584 0.092 0.000 1.169 39 A CA 1.480 53.577 52.037 0.098 0.000 0.635 39 A CB 0.466 19.520 19.000 0.090 0.000 0.810 39 A HN -0.157 7.993 8.150 0.179 0.106 0.445 40 G N -1.943 106.920 108.800 0.105 0.000 2.274 40 G HA2 -0.413 nan 3.960 nan 0.000 0.251 40 G HA3 -0.413 nan 3.960 nan 0.000 0.251 40 G C -1.191 173.713 174.900 0.006 0.000 0.836 40 G CA 0.521 45.627 45.100 0.010 0.000 1.246 40 G HN -0.454 7.937 8.290 0.195 0.015 0.355 41 H N 3.631 122.618 119.070 -0.138 0.000 2.970 41 H HA 0.224 nan 4.556 nan 0.000 0.315 41 H C -1.476 173.798 175.328 -0.091 0.000 0.992 41 H CA -1.777 54.224 56.048 -0.078 0.000 1.363 41 H CB 2.660 32.392 29.762 -0.051 0.000 1.532 41 H HN -0.131 8.102 8.280 -0.079 0.000 0.514 42 T N 8.261 122.917 114.554 0.171 0.000 2.780 42 T HA 0.325 nan 4.350 nan 0.000 0.294 42 T C -0.972 173.826 174.700 0.163 0.000 0.949 42 T CA 0.648 62.812 62.100 0.107 0.000 1.074 42 T CB 0.115 69.014 68.868 0.052 0.000 0.910 42 T HN 0.338 8.627 8.240 0.081 0.000 0.501 43 L N 6.747 128.015 121.223 0.076 0.000 2.333 43 L HA 0.477 nan 4.340 nan 0.000 0.263 43 L C -1.096 175.789 176.870 0.026 0.000 1.014 43 L CA -1.026 53.843 54.840 0.048 0.000 0.820 43 L CB 5.064 47.108 42.059 -0.025 0.000 1.352 43 L HN 1.169 9.292 8.230 0.034 0.128 0.421 44 V N 1.593 121.521 119.914 0.024 0.000 2.304 44 V HA 0.315 nan 4.120 nan 0.000 0.262 44 V C 0.441 176.539 176.094 0.006 0.000 1.061 44 V CA -0.728 61.583 62.300 0.018 0.000 0.872 44 V CB -1.124 30.712 31.823 0.022 0.000 1.077 44 V HN 0.316 8.523 8.190 0.028 0.000 0.480 45 I N 9.045 129.616 120.570 0.001 0.000 2.213 45 I HA 0.015 nan 4.170 nan 0.000 0.295 45 I C -0.828 175.288 176.117 -0.001 0.000 1.172 45 I CA -2.209 59.089 61.300 -0.005 0.000 1.443 45 I CB -3.088 34.907 38.000 -0.009 0.000 1.491 45 I HN 0.958 9.171 8.210 0.004 0.000 0.652 46 N N 5.727 124.427 118.700 0.001 0.000 2.568 46 N HA -0.315 nan 4.740 nan 0.000 0.277 46 N C 0.974 176.487 175.510 0.005 0.000 1.200 46 N CA 0.793 53.844 53.050 0.002 0.000 0.702 46 N CB -2.377 36.109 38.487 -0.001 0.000 0.889 46 N HN 0.344 8.674 8.380 0.001 0.051 0.546 47 G N -1.156 107.649 108.800 0.008 0.000 2.507 47 G HA2 -0.491 nan 3.960 nan 0.000 0.240 47 G HA3 -0.491 nan 3.960 nan 0.000 0.240 47 G C -0.816 174.090 174.900 0.011 0.000 1.119 47 G CA 0.484 45.589 45.100 0.010 0.000 0.664 47 G HN 0.423 8.718 8.290 0.009 0.000 0.516 48 E N 3.476 123.681 120.200 0.008 0.000 2.259 48 E HA 0.047 nan 4.350 nan 0.000 0.281 48 E C -1.517 175.090 176.600 0.011 0.000 1.027 48 E CA -0.948 55.458 56.400 0.009 0.000 0.838 48 E CB 1.339 31.043 29.700 0.007 0.000 1.066 48 E HN -0.292 7.964 8.360 0.006 0.107 0.401 49 K N 5.868 126.277 120.400 0.015 0.000 2.322 49 K HA 0.225 nan 4.320 nan 0.000 0.283 49 K C -0.934 175.676 176.600 0.015 0.000 1.042 49 K CA 0.082 56.380 56.287 0.018 0.000 0.958 49 K CB 0.736 33.250 32.500 0.023 0.000 0.984 49 K HN 0.303 8.562 8.250 0.015 0.000 0.473 50 T N 6.485 121.046 114.554 0.011 0.000 2.956 50 T HA 0.347 nan 4.350 nan 0.000 0.312 50 T C -2.101 172.593 174.700 -0.011 0.000 1.151 50 T CA -0.434 61.668 62.100 0.003 0.000 1.024 50 T CB 3.679 72.544 68.868 -0.004 0.000 1.140 50 T HN 0.843 8.982 8.240 0.013 0.109 0.473 51 V N 2.861 122.756 119.914 -0.032 0.000 2.630 51 V HA 0.823 nan 4.120 nan 0.000 0.305 51 V C -0.793 175.187 176.094 -0.191 0.000 1.046 51 V CA -1.401 60.829 62.300 -0.117 0.000 0.934 51 V CB 1.519 33.238 31.823 -0.174 0.000 1.003 51 V HN 0.268 8.452 8.190 -0.010 0.000 0.451 52 L N 2.685 123.766 121.223 -0.237 0.000 2.362 52 L HA 0.481 nan 4.340 nan 0.000 0.275 52 L C -0.247 176.476 176.870 -0.244 0.000 0.998 52 L CA -0.987 53.748 54.840 -0.175 0.000 0.820 52 L CB 2.542 44.543 42.059 -0.098 0.000 1.270 52 L HN 0.637 8.647 8.230 -0.174 0.116 0.415 53 H N 1.887 120.993 119.070 0.061 0.000 2.885 53 H HA 0.264 nan 4.556 nan 0.000 0.260 53 H C 0.433 175.806 175.328 0.075 0.000 0.985 53 H CA 1.813 57.905 56.048 0.074 0.000 1.210 53 H CB 2.156 31.974 29.762 0.093 0.000 1.466 53 H HN 0.165 8.827 8.280 0.123 -0.307 0.493 54 L N -0.477 120.848 121.223 0.170 0.000 2.666 54 L HA 0.229 nan 4.340 nan 0.000 0.184 54 L C -1.065 175.843 176.870 0.063 0.000 1.092 54 L CA 0.516 55.427 54.840 0.119 0.000 0.857 54 L CB 2.393 44.522 42.059 0.115 0.000 1.281 54 L HN -0.626 8.033 8.230 0.140 -0.345 0.489 55 I N 0.203 120.797 120.570 0.040 0.000 2.588 55 I HA -0.111 nan 4.170 nan 0.000 0.283 55 I C -1.843 174.267 176.117 -0.011 0.000 1.119 55 I CA -0.831 60.476 61.300 0.012 0.000 1.419 55 I CB -0.418 37.581 38.000 -0.002 0.000 1.394 55 I HN -0.350 8.273 8.210 0.046 -0.384 0.562 56 P HA 0.196 nan 4.420 nan 0.000 0.275 56 P C 0.310 177.558 177.300 -0.087 0.000 1.227 56 P CA -0.682 62.403 63.100 -0.025 0.000 0.781 56 P CB 0.634 32.339 31.700 0.008 0.000 0.906 57 S N 4.541 120.133 115.700 -0.180 0.000 2.465 57 S HA -0.289 nan 4.470 nan 0.000 0.241 57 S C 2.209 176.737 174.600 -0.120 0.000 1.000 57 S CA 2.999 61.039 58.200 -0.266 0.000 0.964 57 S CB -0.538 62.341 63.200 -0.535 0.000 0.763 57 S HN 0.626 8.833 8.310 -0.171 0.000 0.512 58 G N 1.650 110.415 108.800 -0.059 0.000 2.498 58 G HA2 -0.226 nan 3.960 nan 0.000 0.219 58 G HA3 -0.226 nan 3.960 nan 0.000 0.219 58 G C 0.923 175.800 174.900 -0.040 0.000 1.119 58 G CA 1.230 46.312 45.100 -0.030 0.000 0.766 58 G HN 0.210 8.436 8.290 -0.044 0.038 0.552 59 I N 2.296 122.838 120.570 -0.047 0.000 2.454 59 I HA -0.364 nan 4.170 nan 0.000 0.254 59 I C 0.634 176.725 176.117 -0.043 0.000 1.156 59 I CA 1.903 63.179 61.300 -0.040 0.000 1.433 59 I CB 0.291 38.267 38.000 -0.039 0.000 1.082 59 I HN -0.085 7.931 8.210 -0.056 0.161 0.432 60 L N -2.758 118.434 121.223 -0.051 0.000 2.217 60 L HA -0.219 nan 4.340 nan 0.000 0.211 60 L C 0.553 177.400 176.870 -0.038 0.000 1.107 60 L CA 1.144 55.958 54.840 -0.043 0.000 0.783 60 L CB -0.322 41.708 42.059 -0.047 0.000 0.919 60 L HN -0.630 7.534 8.230 -0.063 0.029 0.442 61 R N -0.878 119.598 120.500 -0.040 0.000 2.347 61 R HA -0.081 nan 4.340 nan 0.000 0.304 61 R C 1.080 177.351 176.300 -0.049 0.000 1.072 61 R CA -0.084 55.991 56.100 -0.041 0.000 0.980 61 R CB -0.194 30.081 30.300 -0.042 0.000 0.986 61 R HN -0.658 7.446 8.270 -0.042 0.141 0.448 62 E N 6.505 126.677 120.200 -0.047 0.000 2.110 62 E HA -0.348 nan 4.350 nan 0.000 0.193 62 E C -0.137 176.424 176.600 -0.065 0.000 0.988 62 E CA 2.848 59.218 56.400 -0.049 0.000 0.804 62 E CB -0.276 29.398 29.700 -0.043 0.000 0.745 62 E HN 0.568 8.903 8.360 -0.042 0.000 0.458 63 N N -1.298 117.354 118.700 -0.080 0.000 2.295 63 N HA 0.083 nan 4.740 nan 0.000 0.221 63 N C -1.564 173.856 175.510 -0.151 0.000 1.129 63 N CA -0.193 52.791 53.050 -0.109 0.000 0.836 63 N CB 0.267 38.687 38.487 -0.112 0.000 1.040 63 N HN -0.191 8.144 8.380 -0.075 0.000 0.494 64 V N 0.346 120.183 119.914 -0.129 0.000 2.628 64 V HA 0.406 nan 4.120 nan 0.000 0.306 64 V C -0.613 175.405 176.094 -0.126 0.000 1.045 64 V CA -1.288 60.918 62.300 -0.156 0.000 0.905 64 V CB 2.019 33.784 31.823 -0.097 0.000 0.997 64 V HN -0.683 7.379 8.190 -0.096 0.070 0.436 65 T N 8.938 123.399 114.554 -0.155 0.000 2.770 65 T HA 0.325 nan 4.350 nan 0.000 0.297 65 T C -0.899 173.835 174.700 0.056 0.000 0.997 65 T CA -0.910 61.175 62.100 -0.025 0.000 0.949 65 T CB 0.881 69.783 68.868 0.056 0.000 0.941 65 T HN 0.748 8.814 8.240 -0.289 0.000 0.457 66 S N 7.882 123.604 115.700 0.037 0.000 2.513 66 S HA 0.719 nan 4.470 nan 0.000 0.276 66 S C -1.504 173.131 174.600 0.059 0.000 1.254 66 S CA 0.164 58.389 58.200 0.042 0.000 1.053 66 S CB 0.618 63.828 63.200 0.016 0.000 0.958 66 S HN 1.045 9.268 8.310 0.019 0.099 0.491 67 I N 4.816 125.421 120.570 0.059 0.000 2.569 67 I HA 0.668 nan 4.170 nan 0.000 0.296 67 I C -1.588 174.563 176.117 0.057 0.000 1.028 67 I CA -0.783 60.551 61.300 0.057 0.000 1.082 67 I CB 3.895 41.922 38.000 0.046 0.000 1.264 67 I HN 1.034 9.276 8.210 0.052 0.000 0.429 68 I N 5.766 126.374 120.570 0.063 0.000 2.388 68 I HA 0.371 nan 4.170 nan 0.000 0.281 68 I C -0.576 175.597 176.117 0.093 0.000 1.046 68 I CA -1.422 59.922 61.300 0.073 0.000 1.187 68 I CB 0.149 38.184 38.000 0.059 0.000 1.351 68 I HN 0.612 8.858 8.210 0.060 0.000 0.472 69 G N 4.481 113.357 108.800 0.127 0.000 2.667 69 G HA2 -0.095 nan 3.960 nan 0.000 0.250 69 G HA3 -0.095 nan 3.960 nan 0.000 0.250 69 G C 0.758 175.745 174.900 0.144 0.000 1.212 69 G CA -1.302 43.888 45.100 0.151 0.000 0.874 69 G HN 0.306 8.681 8.290 0.142 0.000 0.561 70 N N 0.299 119.085 118.700 0.143 0.000 2.348 70 N HA -0.335 nan 4.740 nan 0.000 0.185 70 N C 0.823 176.430 175.510 0.162 0.000 1.019 70 N CA 2.079 55.210 53.050 0.135 0.000 0.880 70 N CB -0.657 37.904 38.487 0.123 0.000 0.965 70 N HN 0.140 8.606 8.380 0.144 0.000 0.437 71 G N -0.900 108.017 108.800 0.196 0.000 2.534 71 G HA2 -0.171 nan 3.960 nan 0.000 0.217 71 G HA3 -0.171 nan 3.960 nan 0.000 0.217 71 G C -1.000 174.051 174.900 0.252 0.000 1.128 71 G CA 0.640 45.884 45.100 0.240 0.000 0.784 71 G HN -0.322 7.964 8.290 0.205 0.128 0.542 72 V N 1.244 121.259 119.914 0.170 0.000 2.498 72 V HA 0.099 nan 4.120 nan 0.000 0.279 72 V C 0.253 176.373 176.094 0.044 0.000 1.048 72 V CA 0.234 62.603 62.300 0.115 0.000 0.967 72 V CB 0.208 32.079 31.823 0.080 0.000 0.988 72 V HN -0.615 7.628 8.190 0.153 0.039 0.473 73 V N 3.724 123.598 119.914 -0.066 0.000 2.461 73 V HA 0.364 nan 4.120 nan 0.000 0.275 73 V C -1.169 174.885 176.094 -0.066 0.000 1.047 73 V CA -1.472 60.718 62.300 -0.182 0.000 0.955 73 V CB -0.189 31.338 31.823 -0.493 0.000 0.988 73 V HN 0.451 8.615 8.190 -0.043 0.000 0.471 74 L N 7.450 128.649 121.223 -0.041 0.000 2.280 74 L HA 0.430 nan 4.340 nan 0.000 0.287 74 L C -1.159 175.692 176.870 -0.032 0.000 1.023 74 L CA -1.028 53.806 54.840 -0.009 0.000 0.819 74 L CB 2.468 44.529 42.059 0.003 0.000 1.212 74 L HN 0.984 9.182 8.230 -0.053 0.000 0.420 75 S N 7.208 122.875 115.700 -0.056 0.000 2.448 75 S HA 0.261 nan 4.470 nan 0.000 0.279 75 S C -0.826 173.707 174.600 -0.113 0.000 1.195 75 S CA -2.954 55.168 58.200 -0.129 0.000 1.051 75 S CB 0.595 63.594 63.200 -0.336 0.000 0.948 75 S HN 0.461 8.757 8.310 -0.023 0.000 0.493 76 P HA -0.131 nan 4.420 nan 0.000 0.218 76 P C -0.010 177.240 177.300 -0.082 0.000 1.149 76 P CA 2.185 65.243 63.100 -0.069 0.000 0.817 76 P CB 0.047 31.714 31.700 -0.056 0.000 0.785 77 A N -3.506 119.254 122.820 -0.101 0.000 1.902 77 A HA -0.262 nan 4.320 nan 0.000 0.217 77 A C 1.788 179.303 177.584 -0.115 0.000 1.181 77 A CA 2.762 54.738 52.037 -0.101 0.000 0.623 77 A CB -0.927 18.007 19.000 -0.110 0.000 0.818 77 A HN 0.145 8.215 8.150 -0.105 0.016 0.443 78 A N -1.194 121.521 122.820 -0.175 0.000 1.873 78 A HA -0.221 nan 4.320 nan 0.000 0.215 78 A C 1.795 179.336 177.584 -0.072 0.000 1.186 78 A CA 2.735 54.671 52.037 -0.169 0.000 0.616 78 A CB -0.636 18.165 19.000 -0.331 0.000 0.823 78 A HN -0.422 7.586 8.150 -0.214 0.013 0.442 79 L N -0.893 120.293 121.223 -0.062 0.000 1.994 79 L HA -0.311 nan 4.340 nan 0.000 0.208 79 L C 1.886 178.739 176.870 -0.028 0.000 1.071 79 L CA 3.270 58.092 54.840 -0.030 0.000 0.745 79 L CB -0.126 41.916 42.059 -0.029 0.000 0.892 79 L HN -0.439 7.741 8.230 -0.084 0.000 0.431 80 M N -2.415 117.161 119.600 -0.039 0.000 2.106 80 M HA -0.447 nan 4.480 nan 0.000 0.259 80 M C 2.407 178.691 176.300 -0.026 0.000 1.068 80 M CA 2.180 57.459 55.300 -0.035 0.000 1.100 80 M CB -1.913 30.662 32.600 -0.042 0.000 1.351 80 M HN -0.342 7.918 8.290 -0.050 0.000 0.404 81 K N -0.137 120.247 120.400 -0.028 0.000 2.032 81 K HA -0.392 nan 4.320 nan 0.000 0.209 81 K C 2.223 178.821 176.600 -0.003 0.000 1.048 81 K CA 3.701 59.978 56.287 -0.016 0.000 0.927 81 K CB -0.247 32.242 32.500 -0.018 0.000 0.712 81 K HN -0.468 7.759 8.250 -0.039 0.000 0.441 82 E N -0.482 119.720 120.200 0.003 0.000 2.072 82 E HA -0.330 nan 4.350 nan 0.000 0.191 82 E C 2.674 179.273 176.600 -0.002 0.000 0.985 82 E CA 2.992 59.398 56.400 0.011 0.000 0.801 82 E CB -0.099 29.614 29.700 0.023 0.000 0.750 82 E HN -0.591 7.768 8.360 -0.001 0.000 0.452 83 M N -0.490 119.105 119.600 -0.008 0.000 2.082 83 M HA -0.452 nan 4.480 nan 0.000 0.258 83 M C 1.955 178.248 176.300 -0.012 0.000 1.069 83 M CA 4.440 59.733 55.300 -0.012 0.000 1.102 83 M CB -0.292 32.298 32.600 -0.016 0.000 1.336 83 M HN 0.707 8.876 8.290 -0.009 0.115 0.404 84 K N -0.868 119.524 120.400 -0.012 0.000 2.026 84 K HA -0.334 nan 4.320 nan 0.000 0.208 84 K C 2.302 178.898 176.600 -0.008 0.000 1.048 84 K CA 3.299 59.579 56.287 -0.011 0.000 0.929 84 K CB -0.319 32.173 32.500 -0.012 0.000 0.713 84 K HN 0.012 8.254 8.250 -0.013 0.000 0.439 85 E N -0.335 119.863 120.200 -0.005 0.000 2.097 85 E HA -0.359 nan 4.350 nan 0.000 0.196 85 E C 2.689 179.285 176.600 -0.006 0.000 1.000 85 E CA 3.067 59.466 56.400 -0.002 0.000 0.804 85 E CB -0.109 29.594 29.700 0.004 0.000 0.740 85 E HN -0.279 8.079 8.360 -0.004 0.000 0.454 86 L N -1.906 119.311 121.223 -0.009 0.000 2.023 86 L HA -0.370 nan 4.340 nan 0.000 0.205 86 L C 2.354 179.216 176.870 -0.013 0.000 1.073 86 L CA 3.207 58.039 54.840 -0.013 0.000 0.745 86 L CB -0.028 42.021 42.059 -0.017 0.000 0.900 86 L HN 0.038 8.263 8.230 -0.008 0.000 0.435 87 E N -1.104 119.089 120.200 -0.012 0.000 2.160 87 E HA -0.411 nan 4.350 nan 0.000 0.195 87 E C 3.087 179.681 176.600 -0.010 0.000 0.991 87 E CA 2.947 59.339 56.400 -0.012 0.000 0.810 87 E CB -0.435 29.257 29.700 -0.012 0.000 0.742 87 E HN 0.168 8.521 8.360 -0.012 0.000 0.466 88 D N 0.035 120.430 120.400 -0.009 0.000 2.182 88 D HA -0.139 nan 4.640 nan 0.000 0.201 88 D C 1.191 177.486 176.300 -0.007 0.000 0.986 88 D CA 2.480 56.475 54.000 -0.008 0.000 0.847 88 D CB -0.101 40.695 40.800 -0.006 0.000 0.942 88 D HN 0.192 8.444 8.370 -0.009 0.112 0.467 89 R N -2.392 118.103 120.500 -0.008 0.000 2.480 89 R HA 0.104 nan 4.340 nan 0.000 0.277 89 R C 0.158 176.451 176.300 -0.010 0.000 1.008 89 R CA -0.496 55.599 56.100 -0.008 0.000 1.090 89 R CB -0.230 30.065 30.300 -0.009 0.000 1.234 89 R HN -0.321 7.784 8.270 -0.009 0.159 0.549 90 G N -0.831 107.963 108.800 -0.010 0.000 2.267 90 G HA2 -0.404 nan 3.960 nan 0.000 0.257 90 G HA3 -0.404 nan 3.960 nan 0.000 0.257 90 G C 0.082 174.973 174.900 -0.014 0.000 0.998 90 G CA 0.604 45.697 45.100 -0.011 0.000 0.620 90 G HN -0.210 7.901 8.290 -0.010 0.173 0.529 91 I N 2.776 123.337 120.570 -0.015 0.000 2.505 91 I HA 0.113 nan 4.170 nan 0.000 0.287 91 I C -0.896 175.211 176.117 -0.017 0.000 1.104 91 I CA -2.730 58.560 61.300 -0.018 0.000 1.387 91 I CB 0.163 38.151 38.000 -0.021 0.000 1.404 91 I HN -0.700 7.420 8.210 -0.015 0.082 0.528 92 P HA 0.133 nan 4.420 nan 0.000 0.230 92 P C 0.180 177.471 177.300 -0.015 0.000 1.791 92 P CA -0.533 62.558 63.100 -0.015 0.000 1.020 92 P CB -1.534 30.157 31.700 -0.015 0.000 1.977 93 V N 3.849 123.755 119.914 -0.015 0.000 2.231 93 V HA -0.510 nan 4.120 nan 0.000 0.248 93 V C 1.908 177.997 176.094 -0.009 0.000 1.054 93 V CA 4.435 66.728 62.300 -0.013 0.000 1.015 93 V CB -0.486 31.329 31.823 -0.013 0.000 0.638 93 V HN 0.440 8.560 8.190 -0.015 0.060 0.444 94 R N -1.805 118.690 120.500 -0.009 0.000 2.417 94 R HA -0.293 nan 4.340 nan 0.000 0.220 94 R C 1.081 177.380 176.300 -0.002 0.000 1.128 94 R CA 2.305 58.401 56.100 -0.007 0.000 1.048 94 R CB -0.770 29.524 30.300 -0.010 0.000 0.835 94 R HN 0.123 8.386 8.270 -0.011 0.000 0.483 95 E N -4.901 115.296 120.200 -0.004 0.000 2.601 95 E HA 0.203 nan 4.350 nan 0.000 0.219 95 E C 0.328 176.927 176.600 -0.002 0.000 0.964 95 E CA -0.222 56.177 56.400 -0.001 0.000 1.050 95 E CB 0.739 30.435 29.700 -0.005 0.000 1.068 95 E HN -0.494 7.781 8.360 -0.007 0.081 0.496 96 R N -2.691 117.808 120.500 -0.003 0.000 2.487 96 R HA 0.351 nan 4.340 nan 0.000 0.272 96 R C -1.585 174.720 176.300 0.009 0.000 0.928 96 R CA 0.373 56.471 56.100 -0.005 0.000 1.077 96 R CB 2.979 33.268 30.300 -0.018 0.000 1.265 96 R HN 0.056 8.211 8.270 -0.004 0.112 0.537 97 L N -0.113 121.118 121.223 0.013 0.000 2.333 97 L HA 0.585 nan 4.340 nan 0.000 0.280 97 L C -1.771 175.117 176.870 0.030 0.000 1.004 97 L CA -0.559 54.293 54.840 0.021 0.000 0.820 97 L CB 1.998 44.063 42.059 0.011 0.000 1.247 97 L HN -0.706 7.529 8.230 0.008 0.000 0.416 98 L N 6.568 127.817 121.223 0.043 0.000 2.354 98 L HA 0.582 nan 4.340 nan 0.000 0.269 98 L C -1.754 175.147 176.870 0.051 0.000 1.005 98 L CA -1.322 53.548 54.840 0.050 0.000 0.819 98 L CB 3.564 45.661 42.059 0.063 0.000 1.311 98 L HN 0.891 9.149 8.230 0.048 0.000 0.423 99 L N -0.623 120.632 121.223 0.054 0.000 2.323 99 L HA 0.764 nan 4.340 nan 0.000 0.265 99 L C -1.542 175.373 176.870 0.076 0.000 1.012 99 L CA -1.851 53.025 54.840 0.059 0.000 0.820 99 L CB 3.533 45.619 42.059 0.045 0.000 1.334 99 L HN 0.771 8.934 8.230 0.055 0.100 0.427 100 S N -0.936 114.814 115.700 0.083 0.000 2.616 100 S HA 0.242 nan 4.470 nan 0.000 0.277 100 S C 1.154 175.821 174.600 0.111 0.000 1.234 100 S CA -1.843 56.414 58.200 0.096 0.000 1.028 100 S CB 1.329 64.588 63.200 0.098 0.000 0.988 100 S HN -0.183 8.175 8.310 0.080 0.000 0.522 101 E N 4.709 124.988 120.200 0.132 0.000 2.427 101 E HA -0.054 nan 4.350 nan 0.000 0.196 101 E C 0.796 177.481 176.600 0.142 0.000 1.028 101 E CA 2.039 58.542 56.400 0.172 0.000 0.864 101 E CB -0.320 29.496 29.700 0.194 0.000 0.813 101 E HN 0.834 9.266 8.360 0.119 0.000 0.514 102 A N -1.127 121.763 122.820 0.117 0.000 2.275 102 A HA 0.134 nan 4.320 nan 0.000 0.212 102 A C -0.297 177.350 177.584 0.106 0.000 1.201 102 A CA -0.407 51.696 52.037 0.109 0.000 0.843 102 A CB 0.064 19.125 19.000 0.100 0.000 0.873 102 A HN -0.352 7.815 8.150 0.110 0.049 0.492 103 C N 1.791 121.150 119.300 0.098 0.000 2.634 103 C HA -0.022 nan 4.460 nan 0.000 0.418 103 C C -1.966 173.064 174.990 0.068 0.000 1.373 103 C CA -0.869 58.197 59.018 0.081 0.000 1.756 103 C CB -1.715 26.065 27.740 0.066 0.000 2.589 103 C HN -0.669 7.573 8.230 0.100 0.047 0.602 104 P HA 0.209 nan 4.420 nan 0.000 0.276 104 P C -1.753 175.539 177.300 -0.013 0.000 1.230 104 P CA 0.233 63.344 63.100 0.019 0.000 0.776 104 P CB 0.268 31.947 31.700 -0.035 0.000 0.888 105 L N 3.165 124.412 121.223 0.041 0.000 2.312 105 L HA 0.337 nan 4.340 nan 0.000 0.281 105 L C -0.871 175.996 176.870 -0.006 0.000 1.070 105 L CA -0.804 54.064 54.840 0.047 0.000 0.805 105 L CB 1.058 43.205 42.059 0.147 0.000 1.174 105 L HN 0.348 8.632 8.230 0.090 0.000 0.434 106 I N 2.057 122.595 120.570 -0.053 0.000 2.312 106 I HA 0.127 nan 4.170 nan 0.000 0.290 106 I C -1.418 174.710 176.117 0.019 0.000 1.008 106 I CA -0.381 60.870 61.300 -0.083 0.000 1.226 106 I CB 0.109 38.039 38.000 -0.116 0.000 1.371 106 I HN -0.294 7.789 8.210 -0.041 0.102 0.468 107 L N 3.436 124.693 121.223 0.056 0.000 2.299 107 L HA 0.267 nan 4.340 nan 0.000 0.268 107 L C 0.558 177.233 176.870 -0.325 0.000 1.012 107 L CA -2.036 52.683 54.840 -0.203 0.000 0.816 107 L CB 1.967 43.858 42.059 -0.279 0.000 1.355 107 L HN -0.416 8.061 8.230 0.413 0.000 0.457 108 D N 0.401 120.691 120.400 -0.184 0.000 2.126 108 D HA -0.415 nan 4.640 nan 0.000 0.190 108 D C 1.957 178.203 176.300 -0.090 0.000 1.001 108 D CA 4.305 58.256 54.000 -0.081 0.000 0.841 108 D CB 0.020 40.836 40.800 0.028 0.000 0.949 108 D HN 0.707 9.022 8.370 -0.090 0.000 0.446 109 Y N -4.184 116.081 120.300 -0.060 0.000 2.315 109 Y HA -0.259 nan 4.550 nan 0.000 0.288 109 Y C 1.985 177.787 175.900 -0.163 0.000 1.154 109 Y CA 1.977 60.014 58.100 -0.106 0.000 1.229 109 Y CB -1.057 37.337 38.460 -0.111 0.000 0.980 109 Y HN -0.027 8.260 8.280 0.012 0.000 0.540 110 H N -0.014 118.768 119.070 -0.479 0.000 2.326 110 H HA -0.246 nan 4.556 nan 0.000 0.301 110 H C 2.636 177.872 175.328 -0.153 0.000 1.081 110 H CA 4.217 60.077 56.048 -0.315 0.000 1.334 110 H CB -0.152 29.391 29.762 -0.364 0.000 1.385 110 H HN -0.374 7.206 8.280 -0.923 0.147 0.504 111 V N -0.693 119.219 119.914 -0.005 0.000 2.358 111 V HA -0.388 nan 4.120 nan 0.000 0.246 111 V C 1.718 177.805 176.094 -0.012 0.000 1.047 111 V CA 4.197 66.495 62.300 -0.004 0.000 1.035 111 V CB -1.189 30.628 31.823 -0.009 0.000 0.658 111 V HN -0.597 7.566 8.190 -0.045 0.000 0.452 112 A N -0.482 122.335 122.820 -0.005 0.000 1.917 112 A HA -0.381 nan 4.320 nan 0.000 0.219 112 A C 1.881 179.450 177.584 -0.024 0.000 1.182 112 A CA 3.492 55.532 52.037 0.005 0.000 0.633 112 A CB -0.925 18.105 19.000 0.049 0.000 0.819 112 A HN 0.398 8.380 8.150 -0.009 0.162 0.448 113 L N -2.105 119.107 121.223 -0.019 0.000 2.012 113 L HA -0.535 nan 4.340 nan 0.000 0.210 113 L C 2.146 178.937 176.870 -0.130 0.000 1.073 113 L CA 3.201 58.003 54.840 -0.062 0.000 0.748 113 L CB -0.717 41.344 42.059 0.004 0.000 0.891 113 L HN 0.087 8.316 8.230 -0.001 0.000 0.431 114 D N -0.693 119.668 120.400 -0.065 0.000 2.092 114 D HA -0.333 nan 4.640 nan 0.000 0.193 114 D C 2.480 178.728 176.300 -0.087 0.000 0.994 114 D CA 3.452 57.414 54.000 -0.063 0.000 0.828 114 D CB -0.627 40.155 40.800 -0.030 0.000 0.963 114 D HN -0.541 7.811 8.370 -0.031 0.000 0.450 115 N N -0.381 118.277 118.700 -0.070 0.000 2.061 115 N HA -0.368 nan 4.740 nan 0.000 0.193 115 N C 2.253 177.700 175.510 -0.105 0.000 1.030 115 N CA 3.087 56.098 53.050 -0.065 0.000 0.856 115 N CB -0.266 38.197 38.487 -0.040 0.000 1.023 115 N HN 0.017 8.366 8.380 -0.052 0.000 0.424 116 A N 0.160 122.878 122.820 -0.169 0.000 1.877 116 A HA -0.306 nan 4.320 nan 0.000 0.216 116 A C 2.229 179.581 177.584 -0.387 0.000 1.186 116 A CA 3.085 54.954 52.037 -0.280 0.000 0.620 116 A CB -0.571 18.177 19.000 -0.421 0.000 0.822 116 A HN 0.337 8.397 8.150 -0.150 0.000 0.443 117 R N -2.141 118.093 120.500 -0.443 0.000 2.073 117 R HA -0.409 nan 4.340 nan 0.000 0.234 117 R C 2.295 178.533 176.300 -0.103 0.000 1.134 117 R CA 3.381 59.310 56.100 -0.284 0.000 0.952 117 R CB -0.103 30.094 30.300 -0.171 0.000 0.850 117 R HN 0.403 8.305 8.270 -0.419 0.116 0.433 118 E N -0.752 119.398 120.200 -0.084 0.000 2.085 118 E HA -0.283 nan 4.350 nan 0.000 0.194 118 E C 2.458 179.042 176.600 -0.027 0.000 0.994 118 E CA 2.771 59.148 56.400 -0.040 0.000 0.801 118 E CB -0.554 29.125 29.700 -0.035 0.000 0.743 118 E HN 0.064 8.362 8.360 -0.103 0.000 0.453 119 K N -1.741 118.637 120.400 -0.037 0.000 2.001 119 K HA -0.403 nan 4.320 nan 0.000 0.214 119 K C 1.096 177.697 176.600 0.002 0.000 1.050 119 K CA 2.961 59.237 56.287 -0.017 0.000 0.934 119 K CB -0.135 32.353 32.500 -0.019 0.000 0.718 119 K HN -0.664 7.550 8.250 -0.060 0.000 0.443 120 A N -3.450 119.380 122.820 0.016 0.000 1.832 120 A HA -0.094 nan 4.320 nan 0.000 0.214 120 A C 2.153 179.768 177.584 0.052 0.000 1.204 120 A CA 1.662 53.729 52.037 0.050 0.000 0.606 120 A CB -0.096 18.974 19.000 0.117 0.000 0.849 120 A HN -0.713 7.435 8.150 -0.003 0.000 0.445 121 R N -1.405 119.132 120.500 0.062 0.000 2.094 121 R HA -0.252 nan 4.340 nan 0.000 0.239 121 R C 1.821 178.143 176.300 0.037 0.000 1.137 121 R CA 1.998 58.135 56.100 0.062 0.000 0.943 121 R CB 0.243 30.579 30.300 0.061 0.000 0.850 121 R HN 0.351 8.555 8.270 0.053 0.099 0.433 122 G N -2.843 105.970 108.800 0.021 0.000 2.908 122 G HA2 0.180 nan 3.960 nan 0.000 0.188 122 G HA3 0.180 nan 3.960 nan 0.000 0.188 122 G C -1.901 173.005 174.900 0.011 0.000 1.903 122 G CA -0.304 44.804 45.100 0.014 0.000 0.883 122 G HN -0.486 7.708 8.290 0.013 0.104 0.515 123 A N -1.643 121.179 122.820 0.004 0.000 2.415 123 A HA 0.038 nan 4.320 nan 0.000 0.294 123 A C -1.250 176.333 177.584 -0.002 0.000 1.019 123 A CA 0.195 52.233 52.037 0.002 0.000 0.603 123 A CB 0.546 19.547 19.000 0.003 0.000 1.382 123 A HN -0.486 7.664 8.150 0.000 0.000 0.483 124 K N 0.822 121.220 120.400 -0.003 0.000 2.408 124 K HA -0.039 nan 4.320 nan 0.000 0.231 124 K C -1.150 175.447 176.600 -0.005 0.000 1.261 124 K CA 0.115 56.399 56.287 -0.005 0.000 1.193 124 K CB -1.488 31.010 32.500 -0.004 0.000 1.431 124 K HN 0.533 8.782 8.250 -0.002 0.000 0.243 125 A N 3.722 126.539 122.820 -0.005 0.000 2.511 125 A HA 0.130 nan 4.320 nan 0.000 0.292 125 A C -0.931 176.649 177.584 -0.006 0.000 1.045 125 A CA -0.057 51.976 52.037 -0.006 0.000 0.870 125 A CB 0.741 19.737 19.000 -0.006 0.000 1.361 125 A HN 0.105 8.191 8.150 -0.006 0.060 0.396 126 I N -4.256 116.310 120.570 -0.006 0.000 4.067 126 I HA -0.330 nan 4.170 nan 0.000 0.193 126 I C -0.233 175.879 176.117 -0.007 0.000 1.126 126 I CA 0.212 61.508 61.300 -0.006 0.000 2.476 126 I CB -1.362 36.635 38.000 -0.005 0.000 1.667 126 I HN 0.322 8.529 8.210 -0.006 0.000 0.413 127 G N 1.184 109.979 108.800 -0.008 0.000 3.084 127 G HA2 -0.202 nan 3.960 nan 0.000 0.254 127 G HA3 -0.202 nan 3.960 nan 0.000 0.254 127 G C -1.159 173.734 174.900 -0.013 0.000 0.834 127 G CA -0.360 44.734 45.100 -0.010 0.000 1.999 127 G HN 0.357 8.597 8.290 -0.008 0.045 0.611 128 T N 2.644 117.191 114.554 -0.012 0.000 2.961 128 T HA 0.011 nan 4.350 nan 0.000 0.270 128 T C 0.244 174.933 174.700 -0.018 0.000 0.926 128 T CA 0.987 63.078 62.100 -0.014 0.000 1.112 128 T CB -0.721 68.141 68.868 -0.011 0.000 0.926 128 T HN 0.057 8.215 8.240 -0.010 0.076 0.612 129 T N 8.771 123.313 114.554 -0.020 0.000 3.043 129 T HA 0.218 nan 4.350 nan 0.000 0.272 129 T C -0.402 174.284 174.700 -0.024 0.000 0.990 129 T CA -0.187 61.899 62.100 -0.024 0.000 0.897 129 T CB 0.725 69.578 68.868 -0.025 0.000 1.111 129 T HN -0.219 8.009 8.240 -0.020 0.000 0.529 130 G N 2.198 110.987 108.800 -0.019 0.000 2.305 130 G HA2 -0.145 nan 3.960 nan 0.000 0.281 130 G HA3 -0.145 nan 3.960 nan 0.000 0.281 130 G C -0.955 173.950 174.900 0.009 0.000 1.085 130 G CA 1.137 46.232 45.100 -0.008 0.000 1.211 130 G HN 0.081 8.360 8.290 -0.019 0.000 0.421 131 R N 2.062 122.575 120.500 0.022 0.000 3.892 131 R HA 0.007 nan 4.340 nan 0.000 0.051 131 R C -0.193 176.157 176.300 0.085 0.000 0.775 131 R CA -0.348 55.792 56.100 0.067 0.000 2.306 131 R CB 0.468 30.704 30.300 -0.106 0.000 1.401 131 R HN -0.508 7.767 8.270 0.009 0.000 0.457 132 G N -0.213 108.590 108.800 0.005 0.000 2.157 132 G HA2 -0.308 nan 3.960 nan 0.000 0.239 132 G HA3 -0.308 nan 3.960 nan 0.000 0.239 132 G C -0.058 174.780 174.900 -0.102 0.000 0.982 132 G CA 0.767 45.859 45.100 -0.013 0.000 0.650 132 G HN 0.185 8.806 8.290 -0.015 -0.341 0.527 133 I N 0.927 121.430 120.570 -0.113 0.000 2.076 133 I HA -0.524 nan 4.170 nan 0.000 0.237 133 I C 1.151 177.175 176.117 -0.155 0.000 1.059 133 I CA 3.831 65.016 61.300 -0.191 0.000 1.317 133 I CB -0.541 37.375 38.000 -0.141 0.000 1.037 133 I HN 0.031 8.138 8.210 -0.095 0.046 0.398 134 G N -0.664 108.143 108.800 0.012 0.000 2.553 134 G HA2 -0.262 nan 3.960 nan 0.000 0.218 134 G HA3 -0.262 nan 3.960 nan 0.000 0.218 134 G C -1.335 173.611 174.900 0.077 0.000 1.195 134 G CA 2.981 48.151 45.100 0.118 0.000 0.779 134 G HN 0.376 8.673 8.290 0.011 0.000 0.577 135 P HA -0.276 nan 4.420 nan 0.000 0.216 135 P C 1.110 178.403 177.300 -0.012 0.000 1.150 135 P CA 2.713 65.875 63.100 0.103 0.000 0.843 135 P CB -0.473 31.322 31.700 0.157 0.000 0.787 136 A N -2.432 120.150 122.820 -0.397 0.000 1.877 136 A HA -0.248 nan 4.320 nan 0.000 0.216 136 A C 2.272 179.724 177.584 -0.219 0.000 1.186 136 A CA 3.014 54.677 52.037 -0.623 0.000 0.620 136 A CB -0.708 17.852 19.000 -0.733 0.000 0.822 136 A HN -0.405 7.509 8.150 -0.385 0.005 0.443 137 Y N -2.189 118.077 120.300 -0.057 0.000 2.181 137 Y HA -0.447 nan 4.550 nan 0.000 0.288 137 Y C 2.409 178.335 175.900 0.042 0.000 1.146 137 Y CA 2.568 60.671 58.100 0.005 0.000 1.164 137 Y CB -0.662 37.806 38.460 0.013 0.000 0.982 137 Y HN -0.204 7.857 8.280 -0.252 0.068 0.515 138 E N -0.744 119.586 120.200 0.217 0.000 2.058 138 E HA -0.461 nan 4.350 nan 0.000 0.194 138 E C 2.589 179.293 176.600 0.174 0.000 0.997 138 E CA 3.363 59.876 56.400 0.188 0.000 0.801 138 E CB -0.367 29.453 29.700 0.200 0.000 0.746 138 E HN 0.233 8.604 8.360 0.197 0.107 0.450 139 D N -1.208 119.319 120.400 0.211 0.000 2.218 139 D HA -0.193 nan 4.640 nan 0.000 0.204 139 D C 1.946 178.328 176.300 0.136 0.000 0.976 139 D CA 2.882 57.007 54.000 0.208 0.000 0.853 139 D CB -0.488 40.532 40.800 0.366 0.000 0.939 139 D HN -0.161 8.346 8.370 0.228 0.000 0.481 140 K N 0.222 120.704 120.400 0.136 0.000 2.001 140 K HA -0.184 nan 4.320 nan 0.000 0.208 140 K C 2.831 179.491 176.600 0.100 0.000 1.048 140 K CA 3.227 59.587 56.287 0.122 0.000 0.932 140 K CB 0.255 32.850 32.500 0.159 0.000 0.715 140 K HN -0.595 7.616 8.250 0.146 0.127 0.437 141 V N -4.303 115.675 119.914 0.106 0.000 2.427 141 V HA -0.133 nan 4.120 nan 0.000 0.248 141 V C 1.361 177.483 176.094 0.048 0.000 1.051 141 V CA 2.391 64.735 62.300 0.073 0.000 1.048 141 V CB -0.953 30.912 31.823 0.069 0.000 0.666 141 V HN -0.355 7.916 8.190 0.135 0.000 0.456 142 A N -1.979 120.868 122.820 0.045 0.000 2.239 142 A HA -0.066 nan 4.320 nan 0.000 0.209 142 A C -0.370 177.206 177.584 -0.014 0.000 1.171 142 A CA -0.135 51.905 52.037 0.005 0.000 0.768 142 A CB 0.123 19.113 19.000 -0.016 0.000 0.790 142 A HN -0.400 7.792 8.150 0.069 0.000 0.478 143 R N -4.523 115.985 120.500 0.014 0.000 3.516 143 R HA -0.349 nan 4.340 nan 0.000 0.271 143 R C 0.270 176.562 176.300 -0.014 0.000 1.098 143 R CA 1.401 57.506 56.100 0.009 0.000 0.732 143 R CB -2.125 28.176 30.300 0.002 0.000 1.152 143 R HN -0.391 7.687 8.270 0.036 0.214 0.455 144 R N -3.722 116.770 120.500 -0.014 0.000 2.531 144 R HA 0.277 nan 4.340 nan 0.000 0.316 144 R C -0.216 176.098 176.300 0.023 0.000 0.955 144 R CA -0.241 55.830 56.100 -0.048 0.000 1.120 144 R CB 1.466 31.666 30.300 -0.167 0.000 1.361 144 R HN 0.293 8.564 8.270 0.015 0.008 0.534 145 G N 0.106 108.959 108.800 0.088 0.000 2.557 145 G HA2 0.162 nan 3.960 nan 0.000 0.292 145 G HA3 0.162 nan 3.960 nan 0.000 0.292 145 G C -2.262 172.715 174.900 0.129 0.000 1.237 145 G CA -0.837 44.361 45.100 0.162 0.000 0.978 145 G HN -0.412 7.925 8.290 0.079 0.000 0.498 146 L N -2.055 119.269 121.223 0.169 0.000 2.322 146 L HA 0.645 nan 4.340 nan 0.000 0.269 146 L C -0.586 176.388 176.870 0.173 0.000 1.012 146 L CA -1.206 53.727 54.840 0.156 0.000 0.815 146 L CB 2.331 44.485 42.059 0.158 0.000 1.295 146 L HN 0.196 8.566 8.230 0.232 0.000 0.438 147 R N -1.351 119.261 120.500 0.188 0.000 2.867 147 R HA 0.550 nan 4.340 nan 0.000 0.268 147 R C 1.550 177.958 176.300 0.179 0.000 1.014 147 R CA -1.243 54.955 56.100 0.162 0.000 0.946 147 R CB 2.444 32.829 30.300 0.142 0.000 1.208 147 R HN -0.189 8.458 8.270 0.209 -0.252 0.477 148 V N 1.621 121.612 119.914 0.127 0.000 2.324 148 V HA -0.397 nan 4.120 nan 0.000 0.250 148 V C 1.826 177.984 176.094 0.105 0.000 1.060 148 V CA 4.918 67.263 62.300 0.076 0.000 1.042 148 V CB -0.689 31.165 31.823 0.052 0.000 0.650 148 V HN 0.411 8.669 8.190 0.113 0.000 0.450 149 G N -2.733 106.202 108.800 0.225 0.000 2.462 149 G HA2 -0.364 nan 3.960 nan 0.000 0.220 149 G HA3 -0.364 nan 3.960 nan 0.000 0.220 149 G C 1.242 176.377 174.900 0.392 0.000 1.121 149 G CA 2.076 47.428 45.100 0.419 0.000 0.758 149 G HN 0.167 8.576 8.290 0.198 0.000 0.559 150 D N 2.713 123.281 120.400 0.279 0.000 2.264 150 D HA -0.117 nan 4.640 nan 0.000 0.208 150 D C 2.169 178.651 176.300 0.303 0.000 0.966 150 D CA 2.529 56.719 54.000 0.317 0.000 0.864 150 D CB -0.318 40.700 40.800 0.364 0.000 0.933 150 D HN -0.311 8.048 8.370 0.247 0.159 0.499 151 L N -1.131 120.148 121.223 0.092 0.000 2.362 151 L HA -0.293 nan 4.340 nan 0.000 0.219 151 L C 1.184 177.961 176.870 -0.155 0.000 1.134 151 L CA 2.009 56.725 54.840 -0.207 0.000 0.807 151 L CB -0.467 41.366 42.059 -0.376 0.000 0.927 151 L HN 0.151 8.266 8.230 0.075 0.160 0.447 152 F N -2.595 117.361 119.950 0.011 0.000 2.234 152 F HA -0.282 nan 4.527 nan 0.000 0.299 152 F C 0.592 176.408 175.800 0.027 0.000 1.087 152 F CA 2.502 60.510 58.000 0.014 0.000 1.340 152 F CB 0.169 39.185 39.000 0.027 0.000 1.031 152 F HN -0.812 7.450 8.300 0.207 0.162 0.500 153 D N -2.137 118.401 120.400 0.231 0.000 2.464 153 D HA 0.212 nan 4.640 nan 0.000 0.243 153 D C -0.014 176.385 176.300 0.165 0.000 1.104 153 D CA -1.753 52.348 54.000 0.169 0.000 0.883 153 D CB -0.123 40.771 40.800 0.157 0.000 1.050 153 D HN -0.737 7.767 8.370 0.253 0.018 0.524 154 K N 4.623 125.093 120.400 0.118 0.000 2.032 154 K HA -0.401 nan 4.320 nan 0.000 0.209 154 K C 1.375 178.083 176.600 0.179 0.000 1.048 154 K CA 3.725 60.088 56.287 0.127 0.000 0.927 154 K CB -0.063 32.468 32.500 0.053 0.000 0.712 154 K HN 0.523 8.827 8.250 0.091 0.000 0.441 155 E N -1.225 119.054 120.200 0.131 0.000 2.065 155 E HA -0.359 nan 4.350 nan 0.000 0.201 155 E C 2.109 178.789 176.600 0.133 0.000 1.016 155 E CA 3.118 59.588 56.400 0.118 0.000 0.818 155 E CB -0.341 29.411 29.700 0.085 0.000 0.749 155 E HN 0.393 8.818 8.360 0.108 0.000 0.453 156 T N 1.971 116.605 114.554 0.134 0.000 2.821 156 T HA -0.227 nan 4.350 nan 0.000 0.267 156 T C 1.647 176.429 174.700 0.136 0.000 1.046 156 T CA 3.995 66.165 62.100 0.116 0.000 1.139 156 T CB -0.616 68.317 68.868 0.108 0.000 0.871 156 T HN -0.721 7.761 8.240 0.132 -0.162 0.454 157 F N 2.595 122.589 119.950 0.073 0.000 2.065 157 F HA -0.557 nan 4.527 nan 0.000 0.298 157 F C 0.393 176.253 175.800 0.100 0.000 1.112 157 F CA 3.638 61.685 58.000 0.079 0.000 1.212 157 F CB -0.059 38.977 39.000 0.061 0.000 0.975 157 F HN -0.304 8.120 8.300 0.323 0.070 0.476 158 A N -3.016 119.946 122.820 0.238 0.000 1.908 158 A HA -0.424 nan 4.320 nan 0.000 0.218 158 A C 2.190 179.865 177.584 0.151 0.000 1.181 158 A CA 3.348 55.518 52.037 0.222 0.000 0.627 158 A CB -1.142 18.012 19.000 0.257 0.000 0.818 158 A HN -0.031 8.324 8.150 0.342 0.000 0.445 159 E N -1.412 118.833 120.200 0.075 0.000 2.047 159 E HA -0.343 nan 4.350 nan 0.000 0.191 159 E C 2.150 178.731 176.600 -0.031 0.000 0.987 159 E CA 2.822 59.234 56.400 0.019 0.000 0.799 159 E CB -0.550 29.159 29.700 0.015 0.000 0.752 159 E HN -0.542 7.793 8.360 0.089 0.078 0.449 160 K N -0.038 120.322 120.400 -0.067 0.000 2.032 160 K HA -0.325 nan 4.320 nan 0.000 0.209 160 K C 2.629 179.143 176.600 -0.143 0.000 1.048 160 K CA 3.020 59.240 56.287 -0.111 0.000 0.927 160 K CB -0.046 32.372 32.500 -0.138 0.000 0.712 160 K HN -0.106 8.112 8.250 -0.053 0.000 0.441 161 L N -0.802 120.288 121.223 -0.222 0.000 1.970 161 L HA -0.416 nan 4.340 nan 0.000 0.212 161 L C 1.091 177.986 176.870 0.043 0.000 1.071 161 L CA 3.238 57.996 54.840 -0.137 0.000 0.751 161 L CB -0.404 41.556 42.059 -0.165 0.000 0.889 161 L HN 0.405 8.328 8.230 -0.329 0.110 0.432 162 K N -1.542 118.947 120.400 0.148 0.000 2.077 162 K HA -0.554 nan 4.320 nan 0.000 0.213 162 K C 1.946 178.455 176.600 -0.153 0.000 1.051 162 K CA 3.630 59.822 56.287 -0.159 0.000 0.929 162 K CB -0.442 31.843 32.500 -0.359 0.000 0.715 162 K HN -0.304 8.080 8.250 0.223 0.000 0.451 163 E N -1.597 118.535 120.200 -0.113 0.000 2.047 163 E HA -0.262 nan 4.350 nan 0.000 0.191 163 E C 2.132 178.670 176.600 -0.103 0.000 0.987 163 E CA 3.002 59.340 56.400 -0.103 0.000 0.799 163 E CB 0.313 29.959 29.700 -0.090 0.000 0.752 163 E HN -0.644 7.655 8.360 -0.094 0.005 0.449 164 V N 0.851 120.692 119.914 -0.122 0.000 2.515 164 V HA -0.348 nan 4.120 nan 0.000 0.250 164 V C 1.839 177.806 176.094 -0.213 0.000 1.058 164 V CA 3.620 65.822 62.300 -0.163 0.000 1.064 164 V CB -0.473 31.295 31.823 -0.091 0.000 0.675 164 V HN -0.304 7.821 8.190 -0.110 0.000 0.461 165 M N -0.808 118.650 119.600 -0.237 0.000 2.156 165 M HA -0.397 nan 4.480 nan 0.000 0.264 165 M C 1.715 177.961 176.300 -0.089 0.000 1.067 165 M CA 4.475 59.612 55.300 -0.272 0.000 1.131 165 M CB -0.048 32.440 32.600 -0.187 0.000 1.368 165 M HN 0.335 8.508 8.290 -0.177 0.011 0.416 166 E N 0.921 121.080 120.200 -0.067 0.000 2.110 166 E HA -0.417 nan 4.350 nan 0.000 0.193 166 E C 2.044 178.650 176.600 0.009 0.000 0.988 166 E CA 3.197 59.581 56.400 -0.026 0.000 0.804 166 E CB -0.665 29.003 29.700 -0.053 0.000 0.745 166 E HN -0.091 8.212 8.360 -0.095 0.000 0.458 167 Y N 1.244 121.466 120.300 -0.130 0.000 2.165 167 Y HA -0.491 nan 4.550 nan 0.000 0.286 167 Y C 2.147 178.007 175.900 -0.066 0.000 1.155 167 Y CA 3.734 61.741 58.100 -0.155 0.000 1.164 167 Y CB 0.104 38.391 38.460 -0.289 0.000 0.978 167 Y HN -0.607 7.703 8.280 0.050 0.000 0.513 168 H N -2.207 116.896 119.070 0.056 0.000 2.436 168 H HA -0.164 nan 4.556 nan 0.000 0.294 168 H C 2.824 178.160 175.328 0.014 0.000 1.048 168 H CA 2.933 58.998 56.048 0.029 0.000 1.353 168 H CB -0.036 29.746 29.762 0.033 0.000 1.414 168 H HN -0.392 7.824 8.280 0.024 0.079 0.536 169 N N 0.243 119.014 118.700 0.120 0.000 2.244 169 N HA -0.275 nan 4.740 nan 0.000 0.183 169 N C 1.773 177.329 175.510 0.078 0.000 1.016 169 N CA 3.192 56.298 53.050 0.094 0.000 0.866 169 N CB -0.368 38.157 38.487 0.064 0.000 0.980 169 N HN 0.563 8.871 8.380 0.078 0.119 0.430 170 F N 1.419 121.319 119.950 -0.084 0.000 2.095 170 F HA -0.456 nan 4.527 nan 0.000 0.298 170 F C 1.320 177.063 175.800 -0.094 0.000 1.104 170 F CA 4.441 62.375 58.000 -0.112 0.000 1.232 170 F CB 0.199 39.081 39.000 -0.198 0.000 0.987 170 F HN -0.122 8.273 8.300 0.161 0.003 0.475 171 Q N -1.636 118.184 119.800 0.033 0.000 2.119 171 Q HA -0.375 nan 4.340 nan 0.000 0.201 171 Q C 2.435 178.468 176.000 0.054 0.000 0.972 171 Q CA 3.125 58.911 55.803 -0.028 0.000 0.847 171 Q CB -0.048 28.709 28.738 0.030 0.000 0.903 171 Q HN -0.660 7.659 8.270 0.081 0.000 0.433 172 L N -1.319 119.994 121.223 0.151 0.000 2.017 172 L HA -0.356 nan 4.340 nan 0.000 0.208 172 L C 2.132 179.057 176.870 0.092 0.000 1.073 172 L CA 3.416 58.382 54.840 0.211 0.000 0.745 172 L CB -0.139 42.016 42.059 0.159 0.000 0.894 172 L HN -0.157 8.087 8.230 0.141 0.070 0.432 173 V N -2.932 116.964 119.914 -0.030 0.000 2.374 173 V HA -0.185 nan 4.120 nan 0.000 0.241 173 V C 1.488 177.482 176.094 -0.166 0.000 1.034 173 V CA 3.831 66.084 62.300 -0.079 0.000 1.037 173 V CB -0.188 31.587 31.823 -0.081 0.000 0.682 173 V HN 0.449 8.610 8.190 -0.049 0.000 0.463 174 N N -0.753 117.736 118.700 -0.351 0.000 2.463 174 N HA -0.104 nan 4.740 nan 0.000 0.181 174 N C 0.337 175.682 175.510 -0.276 0.000 1.078 174 N CA 2.495 55.294 53.050 -0.417 0.000 0.902 174 N CB 0.609 38.603 38.487 -0.822 0.000 0.970 174 N HN -0.019 8.078 8.380 -0.471 0.000 0.451 175 Y N -1.787 118.279 120.300 -0.390 0.000 2.673 175 Y HA 0.029 nan 4.550 nan 0.000 0.278 175 Y C 0.569 176.236 175.900 -0.389 0.000 1.127 175 Y CA 1.834 59.687 58.100 -0.411 0.000 1.261 175 Y CB 1.824 39.958 38.460 -0.542 0.000 1.412 175 Y HN -0.551 7.582 8.280 -0.186 0.036 0.496 176 Y N -3.099 117.242 120.300 0.068 0.000 2.490 176 Y HA -0.050 nan 4.550 nan 0.000 0.285 176 Y C -0.459 175.410 175.900 -0.051 0.000 1.117 176 Y CA 1.303 59.404 58.100 0.001 0.000 1.262 176 Y CB 0.587 39.098 38.460 0.086 0.000 1.043 176 Y HN -0.388 7.842 8.280 -0.083 0.000 0.553 177 K N -4.896 115.531 120.400 0.045 0.000 3.162 177 K HA -0.408 nan 4.320 nan 0.000 0.268 177 K C -1.001 175.625 176.600 0.043 0.000 1.062 177 K CA 0.432 56.722 56.287 0.006 0.000 0.769 177 K CB -2.337 30.145 32.500 -0.031 0.000 1.274 177 K HN -0.237 7.988 8.250 0.008 0.029 0.478 178 A N -1.788 121.080 122.820 0.079 0.000 2.309 178 A HA 0.287 nan 4.320 nan 0.000 0.317 178 A C -1.410 176.204 177.584 0.050 0.000 1.134 178 A CA -0.875 51.204 52.037 0.070 0.000 0.866 178 A CB 1.654 20.715 19.000 0.101 0.000 1.329 178 A HN 0.167 8.269 8.150 0.102 0.109 0.477 179 E N -1.182 119.043 120.200 0.041 0.000 2.392 179 E HA -0.090 nan 4.350 nan 0.000 0.259 179 E C -1.123 175.507 176.600 0.051 0.000 1.108 179 E CA -0.159 56.263 56.400 0.037 0.000 0.916 179 E CB 0.606 30.325 29.700 0.032 0.000 0.989 179 E HN 0.059 8.442 8.360 0.038 0.000 0.432 180 A N 0.571 123.419 122.820 0.047 0.000 2.304 180 A HA 0.251 nan 4.320 nan 0.000 0.271 180 A C -1.008 176.619 177.584 0.072 0.000 1.091 180 A CA -0.284 51.789 52.037 0.060 0.000 0.812 180 A CB 1.370 20.399 19.000 0.049 0.000 1.056 180 A HN 0.068 8.240 8.150 0.036 0.000 0.489 181 V N 0.623 120.593 119.914 0.093 0.000 2.439 181 V HA -0.038 nan 4.120 nan 0.000 0.282 181 V C -0.689 175.471 176.094 0.109 0.000 1.039 181 V CA -0.389 61.975 62.300 0.107 0.000 0.913 181 V CB 0.929 32.846 31.823 0.157 0.000 0.983 181 V HN 0.498 9.206 8.190 0.098 -0.459 0.460 182 D N 6.011 126.469 120.400 0.097 0.000 2.383 182 D HA -0.056 nan 4.640 nan 0.000 0.252 182 D C 0.124 176.504 176.300 0.133 0.000 1.166 182 D CA 0.312 54.376 54.000 0.107 0.000 0.879 182 D CB 1.882 42.727 40.800 0.075 0.000 1.164 182 D HN 0.083 8.502 8.370 0.082 0.000 0.462 183 Y N 7.656 127.979 120.300 0.038 0.000 2.109 183 Y HA -0.402 nan 4.550 nan 0.000 0.285 183 Y C 1.294 177.228 175.900 0.056 0.000 1.131 183 Y CA 4.104 62.227 58.100 0.038 0.000 1.121 183 Y CB 0.427 38.896 38.460 0.014 0.000 0.987 183 Y HN 0.509 8.949 8.280 0.266 0.000 0.495 184 Q N -1.627 118.148 119.800 -0.041 0.000 2.173 184 Q HA -0.446 nan 4.340 nan 0.000 0.208 184 Q C 2.161 178.085 176.000 -0.127 0.000 0.989 184 Q CA 2.890 58.615 55.803 -0.129 0.000 0.872 184 Q CB -0.702 28.063 28.738 0.045 0.000 0.909 184 Q HN 0.254 8.664 8.270 0.233 0.000 0.420 185 K N -0.686 119.683 120.400 -0.052 0.000 2.026 185 K HA -0.286 nan 4.320 nan 0.000 0.208 185 K C 1.844 178.420 176.600 -0.040 0.000 1.048 185 K CA 3.777 60.047 56.287 -0.029 0.000 0.929 185 K CB -0.221 32.283 32.500 0.007 0.000 0.713 185 K HN -0.188 8.350 8.250 -0.008 -0.293 0.439 186 V N 0.143 120.036 119.914 -0.036 0.000 2.287 186 V HA -0.340 nan 4.120 nan 0.000 0.248 186 V C 2.483 178.569 176.094 -0.013 0.000 1.053 186 V CA 3.655 65.961 62.300 0.009 0.000 1.027 186 V CB -0.853 31.025 31.823 0.093 0.000 0.646 186 V HN -0.663 7.509 8.190 -0.030 0.000 0.447 187 L N -0.876 120.261 121.223 -0.143 0.000 2.012 187 L HA -0.446 nan 4.340 nan 0.000 0.210 187 L C 1.392 178.232 176.870 -0.050 0.000 1.073 187 L CA 3.739 58.520 54.840 -0.097 0.000 0.748 187 L CB -0.545 41.312 42.059 -0.337 0.000 0.891 187 L HN -0.042 8.010 8.230 -0.296 0.000 0.431 188 D N -1.079 119.277 120.400 -0.074 0.000 2.144 188 D HA -0.305 nan 4.640 nan 0.000 0.200 188 D C 2.605 178.880 176.300 -0.042 0.000 0.978 188 D CA 3.773 57.744 54.000 -0.048 0.000 0.833 188 D CB -0.702 40.075 40.800 -0.039 0.000 0.961 188 D HN 0.093 8.399 8.370 -0.107 0.000 0.470 189 D N -0.239 120.141 120.400 -0.034 0.000 2.117 189 D HA -0.186 nan 4.640 nan 0.000 0.197 189 D C 2.232 178.506 176.300 -0.044 0.000 0.987 189 D CA 3.044 57.025 54.000 -0.031 0.000 0.829 189 D CB -0.167 40.622 40.800 -0.019 0.000 0.961 189 D HN 0.297 8.538 8.370 -0.032 0.110 0.460 190 T N 2.030 116.561 114.554 -0.038 0.000 2.770 190 T HA -0.122 nan 4.350 nan 0.000 0.263 190 T C 2.086 176.685 174.700 -0.168 0.000 1.039 190 T CA 4.107 66.156 62.100 -0.085 0.000 1.142 190 T CB 0.110 68.964 68.868 -0.024 0.000 0.868 190 T HN 0.009 8.244 8.240 -0.008 0.000 0.435 191 M N -0.251 119.260 119.600 -0.149 0.000 2.279 191 M HA -0.258 nan 4.480 nan 0.000 0.264 191 M C 1.878 178.107 176.300 -0.118 0.000 1.062 191 M CA 1.770 56.975 55.300 -0.158 0.000 1.099 191 M CB -1.245 31.297 32.600 -0.096 0.000 1.394 191 M HN 0.469 8.591 8.290 -0.096 0.110 0.426 192 A N -1.883 120.883 122.820 -0.089 0.000 2.019 192 A HA -0.138 nan 4.320 nan 0.000 0.219 192 A C 1.389 178.925 177.584 -0.079 0.000 1.164 192 A CA 2.512 54.507 52.037 -0.070 0.000 0.644 192 A CB -0.102 18.866 19.000 -0.054 0.000 0.805 192 A HN -0.308 7.773 8.150 -0.081 0.021 0.449 193 V N -3.548 116.306 119.914 -0.100 0.000 3.556 193 V HA 0.147 nan 4.120 nan 0.000 0.287 193 V C 1.049 177.060 176.094 -0.139 0.000 1.422 193 V CA -0.147 62.092 62.300 -0.102 0.000 1.038 193 V CB -0.263 31.506 31.823 -0.089 0.000 0.850 193 V HN -0.425 7.551 8.190 -0.114 0.146 0.437 194 A N 1.442 124.152 122.820 -0.183 0.000 1.940 194 A HA -0.486 nan 4.320 nan 0.000 0.221 194 A C 1.266 178.718 177.584 -0.219 0.000 1.190 194 A CA 3.902 55.793 52.037 -0.244 0.000 0.647 194 A CB -0.816 18.013 19.000 -0.285 0.000 0.821 194 A HN -0.020 7.909 8.150 -0.181 0.112 0.457 195 D N -2.771 117.534 120.400 -0.158 0.000 2.183 195 D HA -0.187 nan 4.640 nan 0.000 0.203 195 D C 2.134 178.367 176.300 -0.112 0.000 0.969 195 D CA 3.258 57.180 54.000 -0.130 0.000 0.842 195 D CB -0.256 40.494 40.800 -0.084 0.000 0.957 195 D HN 0.142 8.421 8.370 -0.137 0.008 0.484 196 I N 0.152 120.661 120.570 -0.101 0.000 2.141 196 I HA -0.446 nan 4.170 nan 0.000 0.236 196 I C 2.015 178.077 176.117 -0.092 0.000 1.071 196 I CA 3.390 64.642 61.300 -0.079 0.000 1.345 196 I CB -0.035 37.926 38.000 -0.066 0.000 1.066 196 I HN -0.258 7.761 8.210 -0.106 0.128 0.406 197 L N -0.628 120.526 121.223 -0.114 0.000 1.997 197 L HA -0.455 nan 4.340 nan 0.000 0.216 197 L C 2.913 179.696 176.870 -0.145 0.000 1.074 197 L CA 3.759 58.528 54.840 -0.117 0.000 0.763 197 L CB -0.947 41.029 42.059 -0.137 0.000 0.890 197 L HN 0.148 8.305 8.230 -0.121 0.000 0.434 198 T N -6.324 108.082 114.554 -0.246 0.000 3.085 198 T HA -0.055 nan 4.350 nan 0.000 0.263 198 T C 2.683 177.298 174.700 -0.142 0.000 1.127 198 T CA 2.825 64.712 62.100 -0.355 0.000 1.103 198 T CB -0.348 67.980 68.868 -0.899 0.000 0.921 198 T HN -0.092 7.987 8.240 -0.269 0.000 0.510 199 S N 3.848 119.498 115.700 -0.085 0.000 2.453 199 S HA -0.126 nan 4.470 nan 0.000 0.231 199 S C 0.693 175.302 174.600 0.015 0.000 1.005 199 S CA 2.776 60.968 58.200 -0.014 0.000 0.949 199 S CB -0.502 62.685 63.200 -0.021 0.000 0.774 199 S HN 0.159 8.242 8.310 -0.106 0.163 0.510 200 M N 0.222 119.824 119.600 0.003 0.000 2.494 200 M HA 0.097 nan 4.480 nan 0.000 0.232 200 M C -1.620 174.709 176.300 0.049 0.000 1.137 200 M CA -0.116 55.198 55.300 0.022 0.000 1.012 200 M CB 0.866 33.471 32.600 0.008 0.000 1.567 200 M HN -0.739 7.510 8.290 -0.026 0.026 0.486 201 V N 0.290 120.250 119.914 0.078 0.000 2.555 201 V HA 0.348 nan 4.120 nan 0.000 0.286 201 V C -0.756 175.415 176.094 0.128 0.000 1.044 201 V CA 1.133 63.510 62.300 0.129 0.000 1.026 201 V CB -0.027 31.935 31.823 0.230 0.000 0.981 201 V HN -0.791 7.261 8.190 0.072 0.181 0.480 202 V N 6.105 126.080 119.914 0.101 0.000 3.130 202 V HA 0.448 nan 4.120 nan 0.000 0.310 202 V C -1.651 174.480 176.094 0.063 0.000 1.158 202 V CA -2.143 60.202 62.300 0.075 0.000 1.029 202 V CB 4.772 36.631 31.823 0.059 0.000 1.057 202 V HN 0.751 8.999 8.190 0.097 0.000 0.436 203 D N 5.440 125.865 120.400 0.042 0.000 2.470 203 D HA 0.157 nan 4.640 nan 0.000 0.226 203 D C 0.754 177.070 176.300 0.027 0.000 1.196 203 D CA -0.390 53.629 54.000 0.033 0.000 0.979 203 D CB -0.921 39.890 40.800 0.018 0.000 1.059 203 D HN 0.137 8.529 8.370 0.036 0.000 0.515 204 V N 4.892 124.828 119.914 0.038 0.000 2.282 204 V HA -0.504 nan 4.120 nan 0.000 0.249 204 V C 1.491 177.597 176.094 0.021 0.000 1.057 204 V CA 4.008 66.325 62.300 0.029 0.000 1.032 204 V CB -0.247 31.610 31.823 0.057 0.000 0.645 204 V HN -0.322 7.876 8.190 0.052 0.023 0.447 205 S N -0.443 115.282 115.700 0.041 0.000 2.353 205 S HA -0.405 nan 4.470 nan 0.000 0.222 205 S C 1.790 176.403 174.600 0.021 0.000 1.035 205 S CA 4.100 62.328 58.200 0.047 0.000 1.025 205 S CB -0.758 62.474 63.200 0.054 0.000 0.902 205 S HN 0.241 8.580 8.310 0.049 0.000 0.440 206 D N 1.389 121.796 120.400 0.012 0.000 2.097 206 D HA -0.226 nan 4.640 nan 0.000 0.195 206 D C 1.816 178.099 176.300 -0.028 0.000 0.989 206 D CA 3.056 57.055 54.000 -0.002 0.000 0.827 206 D CB 0.145 40.946 40.800 0.002 0.000 0.966 206 D HN -0.806 7.836 8.370 0.018 -0.261 0.456 207 L N 0.408 121.608 121.223 -0.039 0.000 1.963 207 L HA -0.403 nan 4.340 nan 0.000 0.220 207 L C 1.587 178.359 176.870 -0.163 0.000 1.076 207 L CA 3.446 58.234 54.840 -0.087 0.000 0.772 207 L CB -0.167 41.839 42.059 -0.088 0.000 0.892 207 L HN -0.271 7.947 8.230 -0.020 0.000 0.435 208 L N -3.080 118.049 121.223 -0.156 0.000 2.079 208 L HA -0.547 nan 4.340 nan 0.000 0.210 208 L C 2.231 179.044 176.870 -0.095 0.000 1.081 208 L CA 3.270 58.016 54.840 -0.157 0.000 0.752 208 L CB -0.881 41.169 42.059 -0.015 0.000 0.896 208 L HN 0.236 8.405 8.230 -0.101 0.000 0.433 209 D N -0.871 119.490 120.400 -0.065 0.000 2.117 209 D HA -0.298 nan 4.640 nan 0.000 0.197 209 D C 2.369 178.615 176.300 -0.090 0.000 0.987 209 D CA 3.574 57.523 54.000 -0.085 0.000 0.829 209 D CB -0.016 40.757 40.800 -0.045 0.000 0.961 209 D HN -0.067 8.196 8.370 -0.042 0.082 0.460 210 Q N -0.703 119.055 119.800 -0.070 0.000 2.084 210 Q HA -0.344 nan 4.340 nan 0.000 0.202 210 Q C 2.486 178.464 176.000 -0.038 0.000 0.978 210 Q CA 3.019 58.794 55.803 -0.047 0.000 0.844 210 Q CB 0.075 28.796 28.738 -0.029 0.000 0.898 210 Q HN 0.081 8.232 8.270 -0.068 0.078 0.426 211 A N -0.434 122.346 122.820 -0.068 0.000 1.877 211 A HA -0.319 nan 4.320 nan 0.000 0.216 211 A C 1.776 179.373 177.584 0.021 0.000 1.186 211 A CA 3.065 55.099 52.037 -0.006 0.000 0.620 211 A CB -0.892 18.027 19.000 -0.136 0.000 0.822 211 A HN -0.008 8.066 8.150 -0.127 0.000 0.443 212 R N -1.212 119.271 120.500 -0.029 0.000 2.112 212 R HA -0.441 nan 4.340 nan 0.000 0.242 212 R C 2.836 179.109 176.300 -0.045 0.000 1.137 212 R CA 3.504 59.577 56.100 -0.045 0.000 0.944 212 R CB -0.262 29.923 30.300 -0.191 0.000 0.857 212 R HN 0.063 8.294 8.270 -0.065 0.000 0.435 213 Q N -1.149 118.608 119.800 -0.071 0.000 2.135 213 Q HA -0.252 nan 4.340 nan 0.000 0.204 213 Q C 2.190 178.185 176.000 -0.008 0.000 0.981 213 Q CA 2.774 58.548 55.803 -0.048 0.000 0.856 213 Q CB -0.093 28.616 28.738 -0.048 0.000 0.902 213 Q HN -0.370 7.844 8.270 -0.092 0.000 0.425 214 R N -3.811 116.695 120.500 0.009 0.000 2.310 214 R HA 0.025 nan 4.340 nan 0.000 0.202 214 R C 0.224 176.547 176.300 0.037 0.000 0.933 214 R CA -0.088 56.024 56.100 0.021 0.000 1.054 214 R CB 0.311 30.628 30.300 0.027 0.000 0.985 214 R HN -0.394 7.784 8.270 0.006 0.095 0.489 215 G N -0.608 108.229 108.800 0.062 0.000 2.176 215 G HA2 -0.432 nan 3.960 nan 0.000 0.252 215 G HA3 -0.432 nan 3.960 nan 0.000 0.252 215 G C -0.386 174.608 174.900 0.158 0.000 1.024 215 G CA 0.174 45.341 45.100 0.112 0.000 0.755 215 G HN -0.240 7.875 8.290 0.049 0.204 0.507 216 D N 0.369 120.866 120.400 0.161 0.000 2.344 216 D HA -0.036 nan 4.640 nan 0.000 0.244 216 D C -0.183 176.362 176.300 0.409 0.000 1.134 216 D CA 0.012 54.120 54.000 0.180 0.000 0.930 216 D CB 0.962 41.907 40.800 0.241 0.000 1.175 216 D HN -0.187 8.267 8.370 0.141 0.000 0.437 217 F N -0.478 119.494 119.950 0.036 0.000 2.438 217 F HA 0.040 nan 4.527 nan 0.000 0.360 217 F C -0.241 175.678 175.800 0.197 0.000 1.118 217 F CA -2.035 55.982 58.000 0.028 0.000 1.164 217 F CB 0.025 38.718 39.000 -0.513 0.000 1.131 217 F HN -0.060 8.296 8.300 0.092 0.000 0.527 218 V N 6.246 126.465 119.914 0.509 0.000 2.384 218 V HA 0.577 nan 4.120 nan 0.000 0.287 218 V C -1.901 174.408 176.094 0.357 0.000 1.020 218 V CA -1.454 61.059 62.300 0.356 0.000 0.850 218 V CB 1.762 33.719 31.823 0.224 0.000 0.987 218 V HN 0.639 9.155 8.190 0.543 0.000 0.436 219 M N 6.719 126.456 119.600 0.227 0.000 2.149 219 M HA 0.702 nan 4.480 nan 0.000 0.342 219 M C -2.045 174.306 176.300 0.085 0.000 1.068 219 M CA -1.544 53.906 55.300 0.250 0.000 0.991 219 M CB 3.070 35.847 32.600 0.296 0.000 1.596 219 M HN 0.992 9.270 8.290 0.168 0.113 0.439 220 F N 5.659 125.728 119.950 0.199 0.000 2.404 220 F HA 0.476 nan 4.527 nan 0.000 0.354 220 F C -1.502 174.480 175.800 0.303 0.000 1.122 220 F CA -1.441 56.720 58.000 0.268 0.000 1.080 220 F CB 0.699 39.829 39.000 0.218 0.000 1.131 220 F HN 1.232 9.779 8.300 0.606 0.116 0.471 221 E N 2.934 123.370 120.200 0.392 0.000 2.171 221 E HA 0.734 nan 4.350 nan 0.000 0.271 221 E C -0.610 176.019 176.600 0.048 0.000 0.916 221 E CA -2.376 54.167 56.400 0.238 0.000 0.774 221 E CB 1.966 31.753 29.700 0.146 0.000 1.128 221 E HN 0.207 8.769 8.360 0.336 0.000 0.403 222 G N 0.648 109.479 108.800 0.052 0.000 2.425 222 G HA2 0.330 nan 3.960 nan 0.000 0.302 222 G HA3 0.330 nan 3.960 nan 0.000 0.302 222 G C -1.499 173.350 174.900 -0.085 0.000 1.159 222 G CA -1.260 43.735 45.100 -0.174 0.000 0.865 222 G HN 0.277 8.670 8.290 0.171 0.000 0.515 223 A N 1.489 124.243 122.820 -0.109 0.000 2.085 223 A HA 0.145 nan 4.320 nan 0.000 0.208 223 A C -0.091 177.490 177.584 -0.006 0.000 1.191 223 A CA 1.015 53.031 52.037 -0.035 0.000 0.799 223 A CB 0.979 19.962 19.000 -0.029 0.000 0.877 223 A HN 0.785 9.228 8.150 -0.176 -0.399 0.473 224 Q N -1.833 117.966 119.800 -0.001 0.000 2.297 224 Q HA 0.161 nan 4.340 nan 0.000 0.268 224 Q C -0.154 175.862 176.000 0.027 0.000 1.045 224 Q CA -1.809 54.006 55.803 0.020 0.000 0.861 224 Q CB 2.624 31.380 28.738 0.030 0.000 1.344 224 Q HN -0.466 7.904 8.270 -0.017 -0.110 0.452 225 G N -0.590 108.226 108.800 0.027 0.000 2.554 225 G HA2 -0.144 nan 3.960 nan 0.000 0.238 225 G HA3 -0.144 nan 3.960 nan 0.000 0.238 225 G C 0.432 175.334 174.900 0.005 0.000 1.259 225 G CA -0.053 45.050 45.100 0.005 0.000 0.843 225 G HN 0.199 8.511 8.290 0.036 0.000 0.582 226 T N 5.837 120.369 114.554 -0.036 0.000 2.708 226 T HA -0.263 nan 4.350 nan 0.000 0.266 226 T C 2.335 177.030 174.700 -0.008 0.000 1.037 226 T CA 4.548 66.636 62.100 -0.020 0.000 1.146 226 T CB -0.027 68.813 68.868 -0.048 0.000 0.865 226 T HN 0.174 8.375 8.240 -0.066 0.000 0.435 227 L N -0.933 120.231 121.223 -0.097 0.000 2.675 227 L HA -0.112 nan 4.340 nan 0.000 0.238 227 L C 0.159 177.125 176.870 0.160 0.000 1.155 227 L CA 1.444 56.276 54.840 -0.013 0.000 0.881 227 L CB -1.053 40.840 42.059 -0.277 0.000 1.008 227 L HN -0.131 7.965 8.230 -0.223 0.000 0.443 228 L N -2.877 118.424 121.223 0.129 0.000 2.640 228 L HA 0.045 nan 4.340 nan 0.000 0.230 228 L C -0.475 176.463 176.870 0.112 0.000 1.123 228 L CA -1.118 53.808 54.840 0.145 0.000 0.900 228 L CB 0.098 42.229 42.059 0.120 0.000 1.146 228 L HN -0.611 7.468 8.230 0.078 0.197 0.484 229 D N 1.095 121.561 120.400 0.110 0.000 2.520 229 D HA -0.226 nan 4.640 nan 0.000 0.243 229 D C 0.767 177.121 176.300 0.089 0.000 1.160 229 D CA 1.366 55.427 54.000 0.102 0.000 0.877 229 D CB 0.778 41.665 40.800 0.144 0.000 1.150 229 D HN -0.302 7.971 8.370 0.110 0.163 0.494 230 I N 7.336 127.940 120.570 0.057 0.000 2.185 230 I HA -0.496 nan 4.170 nan 0.000 0.246 230 I C 0.007 176.136 176.117 0.021 0.000 1.088 230 I CA 3.111 64.451 61.300 0.067 0.000 1.347 230 I CB 0.303 38.317 38.000 0.023 0.000 1.041 230 I HN 0.245 8.478 8.210 0.038 0.000 0.415 231 D N -2.338 118.007 120.400 -0.092 0.000 2.144 231 D HA -0.099 nan 4.640 nan 0.000 0.207 231 D C 1.338 177.381 176.300 -0.428 0.000 0.970 231 D CA 2.837 56.640 54.000 -0.329 0.000 0.853 231 D CB 0.526 41.011 40.800 -0.524 0.000 1.007 231 D HN -0.350 8.088 8.370 -0.050 -0.098 0.469 232 H N -2.314 116.787 119.070 0.052 0.000 2.586 232 H HA 0.166 nan 4.556 nan 0.000 0.273 232 H C 0.656 176.059 175.328 0.124 0.000 0.997 232 H CA -0.101 55.991 56.048 0.074 0.000 1.177 232 H CB 0.739 30.530 29.762 0.048 0.000 1.471 232 H HN 0.223 8.984 8.280 -0.058 -0.516 0.538 233 G N -0.083 108.828 108.800 0.185 0.000 2.516 233 G HA2 0.247 nan 3.960 nan 0.000 0.276 233 G HA3 0.247 nan 3.960 nan 0.000 0.276 233 G C -0.926 174.116 174.900 0.237 0.000 1.390 233 G CA -0.490 44.738 45.100 0.212 0.000 1.050 233 G HN -0.031 8.246 8.290 0.132 0.092 0.519 234 T N 0.255 114.942 114.554 0.221 0.000 3.162 234 T HA 0.214 nan 4.350 nan 0.000 0.316 234 T C -0.523 174.243 174.700 0.111 0.000 1.182 234 T CA -1.351 60.851 62.100 0.171 0.000 1.015 234 T CB -1.670 67.201 68.868 0.004 0.000 1.089 234 T HN -0.263 8.112 8.240 0.224 0.000 0.646 235 Y N 7.563 127.849 120.300 -0.024 0.000 2.805 235 Y HA -0.281 nan 4.550 nan 0.000 0.337 235 Y C -1.798 173.903 175.900 -0.333 0.000 1.252 235 Y CA -0.568 57.454 58.100 -0.130 0.000 1.515 235 Y CB 0.498 38.912 38.460 -0.077 0.000 1.305 235 Y HN -0.576 7.872 8.280 0.279 0.000 0.600 236 P HA 0.145 nan 4.420 nan 0.000 0.262 236 P C -1.398 175.510 177.300 -0.653 0.000 1.304 236 P CA 0.030 62.440 63.100 -1.150 0.000 0.859 236 P CB 0.571 31.627 31.700 -1.074 0.000 1.310 237 Y N 2.086 122.278 120.300 -0.180 0.000 2.889 237 Y HA -0.030 nan 4.550 nan 0.000 0.367 237 Y C -1.535 174.330 175.900 -0.058 0.000 1.197 237 Y CA -0.854 57.172 58.100 -0.124 0.000 1.993 237 Y CB -2.793 35.584 38.460 -0.138 0.000 2.112 237 Y HN -0.157 7.606 8.280 -0.730 0.079 0.413 238 V N -6.881 113.052 119.914 0.031 0.000 3.130 238 V HA 0.550 nan 4.120 nan 0.000 0.310 238 V C -1.005 175.118 176.094 0.048 0.000 1.158 238 V CA -2.846 59.497 62.300 0.071 0.000 1.029 238 V CB 3.439 35.330 31.823 0.112 0.000 1.057 238 V HN -0.177 7.918 8.190 -0.060 0.059 0.436 239 T N 1.100 115.691 114.554 0.061 0.000 2.771 239 T HA 0.202 nan 4.350 nan 0.000 0.290 239 T C -0.125 174.601 174.700 0.043 0.000 1.005 239 T CA -0.992 61.138 62.100 0.049 0.000 0.944 239 T CB 0.939 69.837 68.868 0.051 0.000 1.147 239 T HN 0.418 8.592 8.240 0.074 0.110 0.534 240 S N -0.734 114.997 115.700 0.051 0.000 2.603 240 S HA -0.034 nan 4.470 nan 0.000 0.220 240 S C -0.991 173.516 174.600 -0.155 0.000 0.967 240 S CA 1.469 59.692 58.200 0.039 0.000 0.920 240 S CB 0.110 63.425 63.200 0.191 0.000 0.773 240 S HN 0.397 8.752 8.310 0.074 0.000 0.529 241 S N -0.466 115.140 115.700 -0.158 0.000 2.667 241 S HA 0.166 nan 4.470 nan 0.000 0.292 241 S C -1.604 172.937 174.600 -0.099 0.000 1.126 241 S CA -1.673 56.352 58.200 -0.293 0.000 0.881 241 S CB 2.360 65.330 63.200 -0.383 0.000 1.132 241 S HN -0.846 7.376 8.310 -0.046 0.060 0.492 242 N N 0.699 119.352 118.700 -0.078 0.000 2.470 242 N HA 0.111 nan 4.740 nan 0.000 0.268 242 N C 0.007 175.562 175.510 0.074 0.000 1.136 242 N CA 0.775 53.836 53.050 0.019 0.000 0.961 242 N CB 0.533 39.038 38.487 0.031 0.000 1.067 242 N HN 0.165 8.461 8.380 -0.139 0.000 0.468 243 T N -1.015 113.595 114.554 0.094 0.000 3.015 243 T HA 0.145 nan 4.350 nan 0.000 0.250 243 T C 1.016 175.804 174.700 0.148 0.000 1.057 243 T CA -0.095 62.074 62.100 0.115 0.000 1.066 243 T CB 1.220 70.134 68.868 0.077 0.000 0.959 243 T HN 0.190 8.768 8.240 0.091 -0.283 0.488 244 T N -0.131 114.489 114.554 0.110 0.000 2.855 244 T HA -0.043 nan 4.350 nan 0.000 0.314 244 T C 1.397 176.123 174.700 0.044 0.000 1.077 244 T CA -0.782 61.355 62.100 0.062 0.000 1.095 244 T CB 1.136 70.015 68.868 0.019 0.000 0.987 244 T HN -0.840 7.649 8.240 0.109 -0.183 0.546 245 A N 2.803 125.610 122.820 -0.023 0.000 2.084 245 A HA -0.299 nan 4.320 nan 0.000 0.221 245 A C 2.031 179.492 177.584 -0.205 0.000 1.161 245 A CA 2.831 54.794 52.037 -0.123 0.000 0.653 245 A CB -0.660 18.259 19.000 -0.134 0.000 0.802 245 A HN 0.659 9.176 8.150 -0.025 -0.382 0.457 246 G N -2.438 106.281 108.800 -0.135 0.000 2.559 246 G HA2 -0.283 nan 3.960 nan 0.000 0.216 246 G HA3 -0.283 nan 3.960 nan 0.000 0.216 246 G C 0.896 175.719 174.900 -0.128 0.000 1.126 246 G CA 0.548 45.567 45.100 -0.135 0.000 0.778 246 G HN 0.424 8.614 8.290 -0.095 0.043 0.543 247 G N -0.522 108.214 108.800 -0.107 0.000 2.813 247 G HA2 0.021 nan 3.960 nan 0.000 0.209 247 G HA3 0.021 nan 3.960 nan 0.000 0.209 247 G C 0.678 175.447 174.900 -0.217 0.000 1.150 247 G CA 0.489 45.564 45.100 -0.042 0.000 0.785 247 G HN 0.234 8.310 8.290 -0.073 0.170 0.535 248 V N 1.513 121.087 119.914 -0.567 0.000 2.358 248 V HA -0.377 nan 4.120 nan 0.000 0.246 248 V C 1.615 177.511 176.094 -0.329 0.000 1.047 248 V CA 3.581 65.419 62.300 -0.770 0.000 1.035 248 V CB -0.611 30.659 31.823 -0.921 0.000 0.658 248 V HN -0.288 7.430 8.190 -0.501 0.171 0.452 249 A N -2.708 119.971 122.820 -0.235 0.000 1.845 249 A HA -0.327 nan 4.320 nan 0.000 0.215 249 A C 1.879 179.443 177.584 -0.034 0.000 1.195 249 A CA 3.338 55.303 52.037 -0.120 0.000 0.616 249 A CB -0.740 18.192 19.000 -0.114 0.000 0.832 249 A HN -0.173 7.823 8.150 -0.257 0.000 0.443 250 T N -0.068 114.473 114.554 -0.022 0.000 2.684 250 T HA -0.308 nan 4.350 nan 0.000 0.267 250 T C 1.926 176.674 174.700 0.080 0.000 1.036 250 T CA 4.034 66.150 62.100 0.028 0.000 1.148 250 T CB -0.259 68.624 68.868 0.026 0.000 0.863 250 T HN 0.293 8.503 8.240 -0.051 0.000 0.436 251 G N -1.247 107.624 108.800 0.118 0.000 2.848 251 G HA2 0.068 nan 3.960 nan 0.000 0.208 251 G HA3 0.068 nan 3.960 nan 0.000 0.208 251 G C -0.425 174.616 174.900 0.234 0.000 1.152 251 G CA 0.584 45.810 45.100 0.210 0.000 0.789 251 G HN -0.110 8.233 8.290 0.090 0.000 0.531 252 S N -1.564 114.246 115.700 0.183 0.000 2.612 252 S HA 0.185 nan 4.470 nan 0.000 0.278 252 S C 0.739 175.432 174.600 0.155 0.000 1.082 252 S CA -0.794 57.537 58.200 0.217 0.000 1.185 252 S CB 2.116 65.534 63.200 0.363 0.000 1.077 252 S HN -0.591 7.620 8.310 0.122 0.171 0.585 253 G N 1.303 110.168 108.800 0.108 0.000 2.213 253 G HA2 -0.286 nan 3.960 nan 0.000 0.236 253 G HA3 -0.286 nan 3.960 nan 0.000 0.236 253 G C -0.443 174.510 174.900 0.088 0.000 0.991 253 G CA 0.216 45.367 45.100 0.086 0.000 0.629 253 G HN 0.227 8.451 8.290 0.084 0.116 0.517 254 L N 2.206 123.493 121.223 0.106 0.000 2.397 254 L HA 0.081 nan 4.340 nan 0.000 0.271 254 L C -0.159 176.761 176.870 0.084 0.000 1.148 254 L CA 0.644 55.566 54.840 0.137 0.000 0.825 254 L CB 1.093 43.248 42.059 0.161 0.000 1.117 254 L HN -0.977 7.258 8.230 0.115 0.064 0.456 255 G N 2.444 111.343 108.800 0.165 0.000 2.544 255 G HA2 0.151 nan 3.960 nan 0.000 0.242 255 G HA3 0.151 nan 3.960 nan 0.000 0.242 255 G C -0.695 174.083 174.900 -0.204 0.000 1.247 255 G CA -1.728 43.330 45.100 -0.071 0.000 0.840 255 G HN 0.044 8.561 8.290 0.379 0.000 0.578 256 P HA -0.195 nan 4.420 nan 0.000 0.216 256 P C 1.548 178.686 177.300 -0.269 0.000 1.150 256 P CA 1.980 64.944 63.100 -0.227 0.000 0.837 256 P CB 0.281 31.871 31.700 -0.183 0.000 0.786 257 R N -2.989 117.270 120.500 -0.402 0.000 2.339 257 R HA -0.130 nan 4.340 nan 0.000 0.199 257 R C 1.085 177.214 176.300 -0.284 0.000 1.018 257 R CA 1.704 57.581 56.100 -0.370 0.000 1.036 257 R CB -0.663 29.379 30.300 -0.430 0.000 0.899 257 R HN 0.406 8.390 8.270 -0.477 0.000 0.473 258 Y N -3.157 117.098 120.300 -0.076 0.000 2.466 258 Y HA -0.030 nan 4.550 nan 0.000 0.272 258 Y C -0.251 175.598 175.900 -0.086 0.000 1.169 258 Y CA -1.152 56.913 58.100 -0.058 0.000 1.285 258 Y CB -0.127 38.311 38.460 -0.037 0.000 1.078 258 Y HN -0.674 7.338 8.280 -0.315 0.079 0.523 259 V N 0.527 120.423 119.914 -0.029 0.000 2.439 259 V HA -0.217 nan 4.120 nan 0.000 0.271 259 V C 0.075 176.148 176.094 -0.036 0.000 1.040 259 V CA 1.066 63.306 62.300 -0.100 0.000 1.002 259 V CB -1.407 30.302 31.823 -0.191 0.000 1.000 259 V HN -0.721 7.367 8.190 -0.089 0.050 0.477 260 D N 7.836 128.244 120.400 0.014 0.000 2.202 260 D HA 0.045 nan 4.640 nan 0.000 0.214 260 D C -0.743 175.583 176.300 0.044 0.000 0.967 260 D CA 2.584 56.608 54.000 0.040 0.000 0.871 260 D CB 1.256 42.101 40.800 0.075 0.000 1.020 260 D HN 0.231 8.618 8.370 0.028 0.000 0.474 261 Y N -0.972 119.260 120.300 -0.113 0.000 2.406 261 Y HA 0.090 nan 4.550 nan 0.000 0.340 261 Y C -2.749 173.063 175.900 -0.146 0.000 0.975 261 Y CA -0.765 57.248 58.100 -0.145 0.000 1.056 261 Y CB 3.565 41.909 38.460 -0.193 0.000 1.210 261 Y HN -0.210 8.120 8.280 0.085 0.000 0.448 262 V N 7.879 127.563 119.914 -0.383 0.000 2.293 262 V HA 0.383 nan 4.120 nan 0.000 0.275 262 V C -1.774 174.152 176.094 -0.281 0.000 1.021 262 V CA -1.388 60.765 62.300 -0.244 0.000 0.815 262 V CB 0.139 31.808 31.823 -0.256 0.000 1.025 262 V HN 0.121 7.866 8.190 -0.742 0.000 0.448 263 L N 9.278 130.513 121.223 0.019 0.000 2.281 263 L HA 0.567 nan 4.340 nan 0.000 0.285 263 L C -1.530 175.369 176.870 0.050 0.000 1.074 263 L CA -1.195 53.708 54.840 0.105 0.000 0.817 263 L CB 2.425 44.608 42.059 0.208 0.000 1.168 263 L HN 1.109 9.283 8.230 0.090 0.111 0.434 264 G N 7.080 115.906 108.800 0.045 0.000 2.377 264 G HA2 0.510 nan 3.960 nan 0.000 0.316 264 G HA3 0.510 nan 3.960 nan 0.000 0.316 264 G C -1.289 173.745 174.900 0.224 0.000 1.115 264 G CA -1.514 43.663 45.100 0.128 0.000 0.952 264 G HN 0.318 8.603 8.290 -0.009 0.000 0.441 265 I N 6.927 127.574 120.570 0.129 0.000 2.505 265 I HA 0.157 nan 4.170 nan 0.000 0.287 265 I C -1.179 174.967 176.117 0.049 0.000 1.104 265 I CA -0.680 60.673 61.300 0.089 0.000 1.387 265 I CB -1.267 36.760 38.000 0.045 0.000 1.404 265 I HN 0.861 9.129 8.210 0.096 0.000 0.528 266 L N 9.978 131.210 121.223 0.015 0.000 2.333 266 L HA 0.515 nan 4.340 nan 0.000 0.280 266 L C -2.548 174.270 176.870 -0.087 0.000 1.004 266 L CA -1.719 53.055 54.840 -0.111 0.000 0.820 266 L CB 3.682 45.519 42.059 -0.370 0.000 1.247 266 L HN 1.155 9.300 8.230 0.048 0.113 0.416 267 K N 6.291 126.626 120.400 -0.109 0.000 2.144 267 K HA 0.198 nan 4.320 nan 0.000 0.270 267 K C -0.429 176.143 176.600 -0.046 0.000 1.005 267 K CA -0.861 55.352 56.287 -0.122 0.000 0.932 267 K CB 1.600 33.938 32.500 -0.269 0.000 1.021 267 K HN 0.098 8.599 8.250 -0.128 -0.328 0.462 268 A N 3.273 126.152 122.820 0.097 0.000 2.019 268 A HA -0.181 nan 4.320 nan 0.000 0.219 268 A C -0.746 177.113 177.584 0.458 0.000 1.164 268 A CA 2.344 54.590 52.037 0.348 0.000 0.644 268 A CB 0.607 19.891 19.000 0.473 0.000 0.805 268 A HN 0.664 8.875 8.150 0.100 0.000 0.449 269 Y N -7.708 112.716 120.300 0.207 0.000 2.790 269 Y HA 0.752 nan 4.550 nan 0.000 0.323 269 Y C -1.826 174.204 175.900 0.216 0.000 1.230 269 Y CA -4.207 54.028 58.100 0.224 0.000 1.121 269 Y CB 2.359 40.896 38.460 0.128 0.000 1.328 269 Y HN -0.906 7.199 8.280 -0.228 0.038 0.514 270 S N -0.019 115.865 115.700 0.307 0.000 2.568 270 S HA 0.392 nan 4.470 nan 0.000 0.302 270 S C -1.580 173.242 174.600 0.370 0.000 1.082 270 S CA -1.044 57.354 58.200 0.329 0.000 1.009 270 S CB 2.674 66.304 63.200 0.715 0.000 1.069 270 S HN 0.478 9.075 8.310 0.479 0.000 0.500 271 T N -3.231 111.403 114.554 0.134 0.000 2.868 271 T HA 0.402 nan 4.350 nan 0.000 0.306 271 T C -2.094 172.457 174.700 -0.249 0.000 1.224 271 T CA -1.509 60.619 62.100 0.047 0.000 1.012 271 T CB 3.113 72.000 68.868 0.032 0.000 1.221 271 T HN 0.145 8.439 8.240 0.090 0.000 0.499 272 R N -0.493 119.828 120.500 -0.299 0.000 2.725 272 R HA 0.589 nan 4.340 nan 0.000 0.277 272 R C -1.724 174.467 176.300 -0.181 0.000 0.987 272 R CA -0.663 55.190 56.100 -0.411 0.000 0.901 272 R CB 4.636 34.446 30.300 -0.817 0.000 1.207 272 R HN 0.121 8.347 8.270 -0.073 0.000 0.463 273 V N 1.900 121.726 119.914 -0.148 0.000 2.311 273 V HA 0.391 nan 4.120 nan 0.000 0.275 273 V C 0.174 176.202 176.094 -0.109 0.000 1.022 273 V CA -0.057 62.193 62.300 -0.085 0.000 0.830 273 V CB -1.185 30.614 31.823 -0.040 0.000 1.012 273 V HN 0.656 8.750 8.190 -0.160 0.000 0.452 274 G N 6.494 115.231 108.800 -0.105 0.000 2.698 274 G HA2 -0.297 nan 3.960 nan 0.000 0.225 274 G HA3 -0.297 nan 3.960 nan 0.000 0.225 274 G C -1.257 173.511 174.900 -0.220 0.000 1.345 274 G CA -1.145 43.879 45.100 -0.127 0.000 0.871 274 G HN -0.145 8.097 8.290 -0.081 0.000 0.540 275 A N -1.014 121.641 122.820 -0.275 0.000 2.547 275 A HA -0.069 nan 4.320 nan 0.000 0.233 275 A C -0.179 176.941 177.584 -0.773 0.000 1.067 275 A CA 1.251 52.986 52.037 -0.503 0.000 0.763 275 A CB 0.221 18.892 19.000 -0.549 0.000 1.007 275 A HN 0.308 8.336 8.150 -0.204 0.000 0.506 276 G N -1.798 106.419 108.800 -0.971 0.000 2.316 276 G HA2 -0.110 nan 3.960 nan 0.000 0.468 276 G HA3 -0.110 nan 3.960 nan 0.000 0.468 276 G C -3.364 171.249 174.900 -0.478 0.000 1.523 276 G CA -0.560 44.063 45.100 -0.795 0.000 0.972 276 G HN -0.425 7.379 8.290 -0.811 0.000 0.667 277 P HA 0.256 nan 4.420 nan 0.000 0.276 277 P C -2.054 175.017 177.300 -0.381 0.000 1.230 277 P CA -0.113 62.761 63.100 -0.376 0.000 0.776 277 P CB 0.490 31.767 31.700 -0.705 0.000 0.888 278 F N 3.224 122.973 119.950 -0.335 0.000 3.065 278 F HA 0.283 nan 4.527 nan 0.000 0.383 278 F C -2.171 173.595 175.800 -0.056 0.000 1.259 278 F CA -3.996 53.806 58.000 -0.330 0.000 1.217 278 F CB 0.218 38.939 39.000 -0.465 0.000 2.042 278 F HN 0.121 8.438 8.300 0.028 0.000 0.641 279 P HA -0.187 nan 4.420 nan 0.000 0.217 279 P C -0.358 176.981 177.300 0.064 0.000 1.151 279 P CA 2.527 65.705 63.100 0.130 0.000 0.849 279 P CB 0.089 31.830 31.700 0.067 0.000 0.787 280 T N -9.622 104.998 114.554 0.109 0.000 3.107 280 T HA 0.038 nan 4.350 nan 0.000 0.249 280 T C 0.027 174.541 174.700 -0.310 0.000 1.096 280 T CA -1.265 60.928 62.100 0.155 0.000 1.012 280 T CB -0.349 68.805 68.868 0.478 0.000 0.977 280 T HN 0.129 8.523 8.240 0.297 0.024 0.527 281 E N 2.409 122.022 120.200 -0.979 0.000 2.534 281 E HA -0.256 nan 4.350 nan 0.000 0.264 281 E C -0.705 175.351 176.600 -0.907 0.000 0.981 281 E CA 0.981 56.606 56.400 -1.290 0.000 0.948 281 E CB 0.490 29.430 29.700 -1.267 0.000 0.934 281 E HN -0.629 7.093 8.360 -0.965 0.059 0.459 282 L N 5.374 126.071 121.223 -0.876 0.000 2.333 282 L HA 0.242 nan 4.340 nan 0.000 0.280 282 L C -1.027 175.458 176.870 -0.642 0.000 1.004 282 L CA -0.825 53.636 54.840 -0.632 0.000 0.820 282 L CB 1.583 43.351 42.059 -0.485 0.000 1.247 282 L HN 0.742 8.361 8.230 -0.829 0.113 0.416 283 F N 2.176 122.070 119.950 -0.093 0.000 2.798 283 F HA 0.202 nan 4.527 nan 0.000 0.333 283 F C -0.813 174.959 175.800 -0.047 0.000 1.324 283 F CA -0.934 57.027 58.000 -0.065 0.000 1.183 283 F CB -0.040 38.931 39.000 -0.050 0.000 1.132 283 F HN 0.270 8.525 8.300 -0.076 0.000 0.521 284 D N -1.175 119.257 120.400 0.053 0.000 3.158 284 D HA 0.075 nan 4.640 nan 0.000 0.314 284 D C 0.237 176.533 176.300 -0.006 0.000 1.308 284 D CA -1.575 52.445 54.000 0.033 0.000 1.001 284 D CB 0.704 41.521 40.800 0.029 0.000 1.389 284 D HN -0.881 7.413 8.370 -0.036 0.054 0.595 285 E N -0.971 119.223 120.200 -0.009 0.000 2.051 285 E HA -0.255 nan 4.350 nan 0.000 0.192 285 E C 2.388 178.973 176.600 -0.025 0.000 0.991 285 E CA 4.064 60.458 56.400 -0.011 0.000 0.799 285 E CB -0.638 29.049 29.700 -0.022 0.000 0.748 285 E HN 0.307 8.665 8.360 -0.003 0.000 0.449 286 T N 2.848 117.351 114.554 -0.084 0.000 2.759 286 T HA -0.262 nan 4.350 nan 0.000 0.269 286 T C 1.840 176.430 174.700 -0.184 0.000 1.042 286 T CA 4.236 66.241 62.100 -0.158 0.000 1.140 286 T CB -0.797 67.939 68.868 -0.220 0.000 0.864 286 T HN 0.009 8.269 8.240 -0.075 -0.065 0.455 287 G N 1.302 109.980 108.800 -0.204 0.000 2.524 287 G HA2 -0.352 nan 3.960 nan 0.000 0.215 287 G HA3 -0.352 nan 3.960 nan 0.000 0.215 287 G C 0.619 175.445 174.900 -0.124 0.000 1.239 287 G CA 1.787 46.752 45.100 -0.226 0.000 0.798 287 G HN -0.084 8.387 8.290 -0.173 -0.285 0.557 288 E N 2.706 122.873 120.200 -0.055 0.000 2.169 288 E HA -0.514 nan 4.350 nan 0.000 0.202 288 E C 2.233 178.822 176.600 -0.018 0.000 1.016 288 E CA 2.554 58.945 56.400 -0.014 0.000 0.817 288 E CB -0.304 29.409 29.700 0.021 0.000 0.736 288 E HN -0.498 7.833 8.360 -0.049 0.000 0.462 289 F N 0.499 120.355 119.950 -0.156 0.000 2.102 289 F HA -0.322 nan 4.527 nan 0.000 0.298 289 F C 0.937 176.591 175.800 -0.243 0.000 1.105 289 F CA 3.855 61.750 58.000 -0.175 0.000 1.239 289 F CB 0.255 39.143 39.000 -0.187 0.000 0.991 289 F HN 0.275 8.552 8.300 0.114 0.092 0.474 290 L N -1.408 119.677 121.223 -0.231 0.000 2.083 290 L HA -0.523 nan 4.340 nan 0.000 0.209 290 L C 2.299 178.909 176.870 -0.432 0.000 1.083 290 L CA 2.982 57.532 54.840 -0.483 0.000 0.752 290 L CB -0.665 41.074 42.059 -0.535 0.000 0.899 290 L HN -0.141 7.946 8.230 -0.095 0.086 0.433 291 C N -1.206 117.922 119.300 -0.287 0.000 2.429 291 C HA -0.418 nan 4.460 nan 0.000 0.277 291 C C 1.931 176.682 174.990 -0.398 0.000 1.262 291 C CA 3.898 62.737 59.018 -0.299 0.000 1.733 291 C CB -1.872 25.761 27.740 -0.178 0.000 2.010 291 C HN 0.083 8.166 8.230 -0.227 0.011 0.483 292 K N -0.381 119.857 120.400 -0.270 0.000 1.991 292 K HA -0.299 nan 4.320 nan 0.000 0.207 292 K C 2.961 179.388 176.600 -0.288 0.000 1.045 292 K CA 3.264 59.444 56.287 -0.178 0.000 0.937 292 K CB -0.280 32.142 32.500 -0.130 0.000 0.720 292 K HN -0.098 8.010 8.250 -0.237 0.000 0.438 293 Q N -2.988 116.509 119.800 -0.506 0.000 2.226 293 Q HA -0.166 nan 4.340 nan 0.000 0.204 293 Q C 2.000 177.820 176.000 -0.300 0.000 0.975 293 Q CA 2.003 57.520 55.803 -0.476 0.000 0.866 293 Q CB -0.171 28.107 28.738 -0.766 0.000 0.915 293 Q HN 0.409 8.261 8.270 -0.697 0.000 0.440 294 G N -3.971 104.646 108.800 -0.305 0.000 2.939 294 G HA2 0.144 nan 3.960 nan 0.000 0.210 294 G HA3 0.144 nan 3.960 nan 0.000 0.210 294 G C -1.408 173.399 174.900 -0.156 0.000 1.160 294 G CA -0.639 44.381 45.100 -0.132 0.000 0.770 294 G HN -0.030 7.904 8.290 -0.394 0.119 0.543 295 N N -2.617 115.908 118.700 -0.293 0.000 2.725 295 N HA -0.501 nan 4.740 nan 0.000 0.249 295 N C -0.551 174.598 175.510 -0.603 0.000 1.103 295 N CA 0.918 53.748 53.050 -0.367 0.000 0.707 295 N CB -1.081 37.384 38.487 -0.037 0.000 1.043 295 N HN -0.330 7.684 8.380 -0.307 0.181 0.553 296 E N -0.998 118.765 120.200 -0.728 0.000 1.896 296 E HA -0.133 nan 4.350 nan 0.000 0.276 296 E C -1.169 175.036 176.600 -0.658 0.000 1.171 296 E CA -0.023 56.086 56.400 -0.486 0.000 1.118 296 E CB -1.748 27.802 29.700 -0.249 0.000 1.077 296 E HN -0.436 7.482 8.360 -0.715 0.012 0.452 297 F N 0.065 120.025 119.950 0.016 0.000 2.593 297 F HA 0.223 nan 4.527 nan 0.000 0.320 297 F C 0.505 176.312 175.800 0.012 0.000 1.060 297 F CA -1.698 56.307 58.000 0.009 0.000 0.940 297 F CB 2.003 41.004 39.000 0.001 0.000 1.268 297 F HN 0.075 8.212 8.300 -0.194 0.047 0.475 298 G N -0.504 108.426 108.800 0.216 0.000 2.422 298 G HA2 -0.263 nan 3.960 nan 0.000 0.218 298 G HA3 -0.263 nan 3.960 nan 0.000 0.218 298 G C -0.423 174.539 174.900 0.103 0.000 1.146 298 G CA 1.333 46.505 45.100 0.119 0.000 0.769 298 G HN 0.184 8.629 8.290 0.258 0.000 0.547 299 A N -3.508 119.380 122.820 0.113 0.000 3.021 299 A HA -0.121 nan 4.320 nan 0.000 0.257 299 A C -0.711 176.911 177.584 0.064 0.000 1.277 299 A CA 0.581 52.668 52.037 0.084 0.000 1.012 299 A CB -1.434 17.615 19.000 0.083 0.000 1.147 299 A HN -0.164 8.068 8.150 0.137 0.000 0.861 300 T N -2.330 112.258 114.554 0.057 0.000 4.391 300 T HA -0.048 nan 4.350 nan 0.000 0.384 300 T C -0.439 174.281 174.700 0.034 0.000 1.000 300 T CA -0.108 62.018 62.100 0.043 0.000 1.038 300 T CB 0.582 69.481 68.868 0.050 0.000 1.175 300 T HN -0.388 7.828 8.240 0.063 0.062 0.466 301 T N -1.157 113.410 114.554 0.021 0.000 3.799 301 T HA -0.234 nan 4.350 nan 0.000 0.358 301 T C 0.252 174.966 174.700 0.023 0.000 0.759 301 T CA -0.025 62.084 62.100 0.014 0.000 1.869 301 T CB -1.067 67.807 68.868 0.010 0.000 1.837 301 T HN 0.130 8.380 8.240 0.016 0.000 0.762 302 G N -0.123 108.698 108.800 0.035 0.000 2.298 302 G HA2 -0.135 nan 3.960 nan 0.000 0.263 302 G HA3 -0.135 nan 3.960 nan 0.000 0.263 302 G C 0.046 174.980 174.900 0.056 0.000 1.229 302 G CA -0.369 44.770 45.100 0.065 0.000 0.976 302 G HN -0.155 8.135 8.290 0.030 0.017 0.459 303 R N 2.256 122.795 120.500 0.065 0.000 2.334 303 R HA 0.010 nan 4.340 nan 0.000 0.216 303 R C -0.522 175.838 176.300 0.100 0.000 0.905 303 R CA -0.796 55.337 56.100 0.056 0.000 1.064 303 R CB 0.015 30.335 30.300 0.034 0.000 1.046 303 R HN 0.285 8.592 8.270 0.062 0.000 0.508 304 R N -1.311 119.295 120.500 0.176 0.000 1.523 304 R HA -0.258 nan 4.340 nan 0.000 0.408 304 R C -1.305 175.064 176.300 0.115 0.000 1.263 304 R CA 0.329 56.584 56.100 0.258 0.000 0.934 304 R CB -1.228 29.269 30.300 0.327 0.000 2.954 304 R HN 0.018 8.322 8.270 0.183 0.076 0.496 305 R N 2.352 122.890 120.500 0.063 0.000 2.817 305 R HA -0.098 nan 4.340 nan 0.000 0.264 305 R C 0.186 176.508 176.300 0.036 0.000 1.009 305 R CA 0.393 56.508 56.100 0.026 0.000 1.133 305 R CB 0.283 30.584 30.300 0.001 0.000 1.013 305 R HN 0.281 8.595 8.270 0.072 0.000 0.453 306 R N 1.018 121.552 120.500 0.057 0.000 2.389 306 R HA 0.058 nan 4.340 nan 0.000 0.295 306 R C -0.572 175.854 176.300 0.210 0.000 1.075 306 R CA 0.478 56.641 56.100 0.105 0.000 1.005 306 R CB 0.389 30.791 30.300 0.170 0.000 0.987 306 R HN -0.063 8.227 8.270 0.033 0.000 0.452 307 T N -2.284 112.302 114.554 0.053 0.000 2.950 307 T HA 0.806 nan 4.350 nan 0.000 0.288 307 T C -1.052 173.521 174.700 -0.211 0.000 1.035 307 T CA -2.629 59.502 62.100 0.052 0.000 1.028 307 T CB 3.008 71.842 68.868 -0.057 0.000 1.109 307 T HN 0.127 8.327 8.240 -0.066 0.000 0.514 308 G N -0.628 108.107 108.800 -0.108 0.000 2.466 308 G HA2 0.399 nan 3.960 nan 0.000 0.291 308 G HA3 0.399 nan 3.960 nan 0.000 0.291 308 G C -2.634 172.239 174.900 -0.044 0.000 1.460 308 G CA 0.713 45.613 45.100 -0.334 0.000 0.791 308 G HN -0.411 7.972 8.290 0.156 0.000 0.505 309 W N -1.884 119.490 121.300 0.123 0.000 2.034 309 W HA 0.126 nan 4.660 nan 0.000 0.357 309 W C -0.087 176.639 176.519 0.344 0.000 1.326 309 W CA 0.027 57.495 57.345 0.205 0.000 1.318 309 W CB 0.884 30.395 29.460 0.084 0.000 1.193 309 W HN -0.305 7.837 8.180 -0.064 0.000 0.620 310 L N -0.012 121.593 121.223 0.636 0.000 2.513 310 L HA -0.143 nan 4.340 nan 0.000 0.272 310 L C -1.291 175.829 176.870 0.417 0.000 1.187 310 L CA 0.852 55.959 54.840 0.444 0.000 0.895 310 L CB 0.215 42.492 42.059 0.364 0.000 1.147 310 L HN 0.373 9.042 8.230 0.732 0.000 0.483 311 D N 7.721 128.343 120.400 0.371 0.000 2.485 311 D HA 0.196 nan 4.640 nan 0.000 0.221 311 D C 0.293 176.701 176.300 0.180 0.000 1.112 311 D CA -0.938 53.281 54.000 0.365 0.000 0.911 311 D CB 1.403 42.524 40.800 0.536 0.000 1.019 311 D HN 0.064 8.634 8.370 0.333 0.000 0.516 312 T N 6.864 121.489 114.554 0.119 0.000 2.803 312 T HA -0.285 nan 4.350 nan 0.000 0.269 312 T C 1.805 176.489 174.700 -0.028 0.000 1.052 312 T CA 4.207 66.320 62.100 0.021 0.000 1.136 312 T CB -0.065 68.808 68.868 0.008 0.000 0.864 312 T HN 0.021 8.357 8.240 0.161 0.000 0.467 313 V N 0.717 120.582 119.914 -0.082 0.000 2.307 313 V HA -0.341 nan 4.120 nan 0.000 0.245 313 V C 1.424 177.449 176.094 -0.116 0.000 1.045 313 V CA 4.000 66.150 62.300 -0.250 0.000 1.024 313 V CB -1.068 30.274 31.823 -0.802 0.000 0.651 313 V HN -0.373 7.898 8.190 -0.027 -0.097 0.449 314 A N -1.095 121.752 122.820 0.044 0.000 1.908 314 A HA -0.313 nan 4.320 nan 0.000 0.218 314 A C 2.084 179.657 177.584 -0.017 0.000 1.181 314 A CA 3.378 55.487 52.037 0.120 0.000 0.627 314 A CB -0.662 18.461 19.000 0.206 0.000 0.818 314 A HN -0.263 8.321 8.150 0.118 -0.363 0.445 315 V N -1.849 118.046 119.914 -0.032 0.000 2.515 315 V HA -0.429 nan 4.120 nan 0.000 0.250 315 V C 2.273 178.382 176.094 0.026 0.000 1.058 315 V CA 3.790 66.073 62.300 -0.028 0.000 1.064 315 V CB -1.270 30.522 31.823 -0.051 0.000 0.675 315 V HN 0.162 8.350 8.190 -0.004 0.000 0.461 316 R N -0.456 120.044 120.500 -0.000 0.000 2.120 316 R HA -0.358 nan 4.340 nan 0.000 0.234 316 R C 2.059 178.348 176.300 -0.019 0.000 1.123 316 R CA 3.606 59.703 56.100 -0.005 0.000 0.975 316 R CB -0.355 29.920 30.300 -0.041 0.000 0.866 316 R HN -0.140 8.022 8.270 -0.022 0.094 0.446 317 R N -0.547 119.941 120.500 -0.019 0.000 2.081 317 R HA -0.273 nan 4.340 nan 0.000 0.235 317 R C 1.598 177.884 176.300 -0.024 0.000 1.131 317 R CA 2.486 58.579 56.100 -0.011 0.000 0.960 317 R CB -0.835 29.487 30.300 0.036 0.000 0.856 317 R HN -0.520 7.729 8.270 -0.020 0.010 0.436 318 A N -1.801 121.006 122.820 -0.022 0.000 2.015 318 A HA -0.119 nan 4.320 nan 0.000 0.219 318 A C 2.595 180.156 177.584 -0.038 0.000 1.163 318 A CA 2.846 54.865 52.037 -0.030 0.000 0.646 318 A CB -0.772 18.211 19.000 -0.028 0.000 0.806 318 A HN -0.564 7.574 8.150 -0.020 0.000 0.448 319 V N -0.054 119.845 119.914 -0.025 0.000 2.343 319 V HA -0.510 nan 4.120 nan 0.000 0.247 319 V C 2.222 178.249 176.094 -0.112 0.000 1.051 319 V CA 4.394 66.644 62.300 -0.084 0.000 1.036 319 V CB -1.000 30.782 31.823 -0.069 0.000 0.654 319 V HN -0.249 7.858 8.190 0.008 0.088 0.451 320 Q N -0.787 118.959 119.800 -0.090 0.000 1.967 320 Q HA -0.320 nan 4.340 nan 0.000 0.202 320 Q C 3.159 179.083 176.000 -0.127 0.000 0.985 320 Q CA 3.327 59.069 55.803 -0.103 0.000 0.839 320 Q CB -0.048 28.638 28.738 -0.087 0.000 0.906 320 Q HN -0.624 7.605 8.270 -0.068 0.000 0.423 321 L N -2.082 119.062 121.223 -0.132 0.000 2.127 321 L HA -0.355 nan 4.340 nan 0.000 0.211 321 L C 1.302 178.085 176.870 -0.145 0.000 1.089 321 L CA 2.597 57.334 54.840 -0.172 0.000 0.757 321 L CB -0.347 41.616 42.059 -0.160 0.000 0.899 321 L HN -0.080 8.087 8.230 -0.106 0.000 0.434 322 N N -4.727 113.899 118.700 -0.123 0.000 2.254 322 N HA 0.104 nan 4.740 nan 0.000 0.190 322 N C -0.157 175.257 175.510 -0.160 0.000 1.107 322 N CA -0.118 52.855 53.050 -0.127 0.000 0.869 322 N CB 1.184 39.609 38.487 -0.104 0.000 0.983 322 N HN -0.516 7.777 8.380 -0.114 0.018 0.487 323 S N -2.445 113.156 115.700 -0.165 0.000 3.631 323 S HA -0.436 nan 4.470 nan 0.000 0.366 323 S C -0.152 174.304 174.600 -0.240 0.000 0.993 323 S CA 0.748 58.838 58.200 -0.184 0.000 1.167 323 S CB -2.245 60.855 63.200 -0.168 0.000 0.909 323 S HN -0.189 7.915 8.310 -0.151 0.115 0.478 324 L N -1.077 119.985 121.223 -0.267 0.000 2.559 324 L HA -0.281 nan 4.340 nan 0.000 0.282 324 L C 0.572 177.170 176.870 -0.454 0.000 1.232 324 L CA 1.231 55.847 54.840 -0.373 0.000 0.885 324 L CB 0.114 41.911 42.059 -0.437 0.000 1.131 324 L HN -0.470 7.623 8.230 -0.227 0.000 0.498 325 S N 2.050 117.380 115.700 -0.616 0.000 2.427 325 S HA 0.180 nan 4.470 nan 0.000 0.224 325 S C -0.825 173.406 174.600 -0.614 0.000 1.047 325 S CA 1.603 59.361 58.200 -0.736 0.000 0.953 325 S CB 1.421 63.776 63.200 -1.409 0.000 0.824 325 S HN 0.406 8.321 8.310 -0.658 0.000 0.502 326 G N -3.327 105.109 108.800 -0.607 0.000 2.623 326 G HA2 0.276 nan 3.960 nan 0.000 0.290 326 G HA3 0.276 nan 3.960 nan 0.000 0.290 326 G C -3.018 171.712 174.900 -0.284 0.000 1.437 326 G CA 0.362 45.276 45.100 -0.309 0.000 0.798 326 G HN -0.906 6.976 8.290 -0.680 0.000 0.488 327 F N -1.415 118.540 119.950 0.009 0.000 2.497 327 F HA 0.884 nan 4.527 nan 0.000 0.331 327 F C -1.446 174.376 175.800 0.037 0.000 1.060 327 F CA -2.506 55.500 58.000 0.010 0.000 0.989 327 F CB 4.164 43.160 39.000 -0.006 0.000 1.245 327 F HN 0.736 8.939 8.300 0.033 0.117 0.486 328 C N 3.058 122.530 119.300 0.286 0.000 2.386 328 C HA 0.629 nan 4.460 nan 0.000 0.318 328 C C -1.760 173.297 174.990 0.113 0.000 1.128 328 C CA -2.164 56.949 59.018 0.158 0.000 1.438 328 C CB 0.137 27.947 27.740 0.117 0.000 1.987 328 C HN 0.544 8.978 8.230 0.340 0.000 0.426 329 L N 10.030 131.306 121.223 0.089 0.000 2.349 329 L HA 0.665 nan 4.340 nan 0.000 0.275 329 L C -2.013 174.895 176.870 0.064 0.000 1.115 329 L CA -0.007 54.864 54.840 0.051 0.000 0.820 329 L CB 2.604 44.698 42.059 0.059 0.000 1.135 329 L HN 0.672 8.963 8.230 0.102 0.000 0.445 330 T N 1.448 116.038 114.554 0.060 0.000 2.916 330 T HA 0.471 nan 4.350 nan 0.000 0.292 330 T C -0.664 174.108 174.700 0.120 0.000 1.064 330 T CA -1.974 60.169 62.100 0.071 0.000 1.011 330 T CB 2.423 71.313 68.868 0.036 0.000 1.152 330 T HN 1.037 9.199 8.240 0.037 0.100 0.510 331 K N -1.444 119.045 120.400 0.148 0.000 3.069 331 K HA -0.437 nan 4.320 nan 0.000 0.267 331 K C 0.478 177.256 176.600 0.296 0.000 1.082 331 K CA 1.503 57.931 56.287 0.235 0.000 0.782 331 K CB -1.811 30.873 32.500 0.306 0.000 1.230 331 K HN 0.577 8.898 8.250 0.118 0.000 0.488 332 L N -2.471 118.904 121.223 0.254 0.000 2.083 332 L HA -0.341 nan 4.340 nan 0.000 0.209 332 L C 0.799 177.893 176.870 0.373 0.000 1.083 332 L CA 3.288 58.314 54.840 0.310 0.000 0.752 332 L CB -0.044 42.143 42.059 0.213 0.000 0.899 332 L HN -0.614 7.711 8.230 0.196 0.023 0.433 333 D N -1.529 119.054 120.400 0.305 0.000 2.178 333 D HA -0.278 nan 4.640 nan 0.000 0.201 333 D C 2.327 178.772 176.300 0.241 0.000 0.980 333 D CA 2.681 56.876 54.000 0.325 0.000 0.842 333 D CB -0.955 40.052 40.800 0.346 0.000 0.948 333 D HN 0.286 8.792 8.370 0.255 0.017 0.472 334 V N -0.783 119.238 119.914 0.178 0.000 2.546 334 V HA -0.296 nan 4.120 nan 0.000 0.254 334 V C 0.668 176.756 176.094 -0.011 0.000 1.076 334 V CA 2.341 64.650 62.300 0.015 0.000 1.087 334 V CB -0.625 31.184 31.823 -0.024 0.000 0.674 334 V HN -0.666 7.528 8.190 0.227 0.132 0.470 335 L N -6.382 114.889 121.223 0.080 0.000 2.492 335 L HA 0.051 nan 4.340 nan 0.000 0.223 335 L C -0.232 176.519 176.870 -0.198 0.000 1.132 335 L CA -0.246 54.569 54.840 -0.041 0.000 0.850 335 L CB -0.170 41.812 42.059 -0.128 0.000 0.966 335 L HN -0.853 7.358 8.230 0.191 0.133 0.454 336 D N 0.173 120.603 120.400 0.049 0.000 2.581 336 D HA -0.287 nan 4.640 nan 0.000 0.238 336 D C 1.067 177.330 176.300 -0.062 0.000 1.145 336 D CA 2.417 56.439 54.000 0.036 0.000 0.866 336 D CB -0.607 40.354 40.800 0.268 0.000 1.151 336 D HN -0.392 7.913 8.370 0.212 0.193 0.500 337 G N 2.341 111.007 108.800 -0.223 0.000 2.179 337 G HA2 -0.478 nan 3.960 nan 0.000 0.220 337 G HA3 -0.478 nan 3.960 nan 0.000 0.220 337 G C -0.816 173.902 174.900 -0.302 0.000 0.990 337 G CA -0.155 44.852 45.100 -0.154 0.000 0.646 337 G HN 0.614 8.673 8.290 -0.385 0.000 0.517 338 L N 0.999 121.957 121.223 -0.442 0.000 2.319 338 L HA -0.028 nan 4.340 nan 0.000 0.280 338 L C 0.136 176.800 176.870 -0.343 0.000 1.099 338 L CA -0.325 54.245 54.840 -0.450 0.000 0.828 338 L CB 0.202 42.012 42.059 -0.414 0.000 1.150 338 L HN -0.453 7.411 8.230 -0.523 0.052 0.442 339 K N 0.200 120.448 120.400 -0.253 0.000 2.152 339 K HA -0.322 nan 4.320 nan 0.000 0.206 339 K C -0.153 176.350 176.600 -0.162 0.000 1.048 339 K CA 2.336 58.520 56.287 -0.172 0.000 0.933 339 K CB 0.226 32.646 32.500 -0.132 0.000 0.721 339 K HN 0.464 8.553 8.250 -0.268 0.000 0.447 340 E N -5.452 114.637 120.200 -0.186 0.000 2.372 340 E HA 0.536 nan 4.350 nan 0.000 0.279 340 E C -1.362 175.091 176.600 -0.244 0.000 0.946 340 E CA -1.427 54.859 56.400 -0.190 0.000 0.769 340 E CB 3.082 32.685 29.700 -0.160 0.000 1.230 340 E HN -0.693 7.534 8.360 -0.190 0.019 0.442 341 V N 1.142 120.869 119.914 -0.312 0.000 2.680 341 V HA 0.371 nan 4.120 nan 0.000 0.309 341 V C -1.588 174.107 176.094 -0.666 0.000 1.052 341 V CA -1.404 60.633 62.300 -0.437 0.000 0.908 341 V CB 2.990 34.623 31.823 -0.315 0.000 1.001 341 V HN 1.122 9.050 8.190 -0.238 0.119 0.431 342 K N 3.007 122.572 120.400 -1.393 0.000 2.267 342 K HA 0.994 nan 4.320 nan 0.000 0.246 342 K C -1.709 174.620 176.600 -0.452 0.000 0.954 342 K CA -1.035 54.554 56.287 -1.162 0.000 0.824 342 K CB 2.999 34.179 32.500 -2.201 0.000 1.167 342 K HN 0.034 6.937 8.250 -2.246 0.000 0.431 343 L N -4.286 116.887 121.223 -0.084 0.000 2.505 343 L HA 0.542 nan 4.340 nan 0.000 0.266 343 L C -1.257 175.805 176.870 0.321 0.000 0.954 343 L CA -1.612 53.346 54.840 0.197 0.000 0.852 343 L CB 2.018 44.163 42.059 0.143 0.000 1.282 343 L HN -0.032 8.139 8.230 -0.098 0.000 0.403 344 C N 5.417 124.982 119.300 0.441 0.000 2.648 344 C HA 0.242 nan 4.460 nan 0.000 0.415 344 C C 0.760 175.829 174.990 0.132 0.000 1.366 344 C CA 0.702 59.881 59.018 0.268 0.000 1.756 344 C CB -0.558 27.345 27.740 0.271 0.000 2.549 344 C HN 0.245 8.761 8.230 0.477 0.000 0.597 345 V N 3.222 123.174 119.914 0.063 0.000 3.621 345 V HA 0.455 nan 4.120 nan 0.000 0.263 345 V C -1.796 174.278 176.094 -0.033 0.000 1.272 345 V CA -0.615 61.694 62.300 0.014 0.000 1.080 345 V CB 1.073 32.906 31.823 0.016 0.000 0.816 345 V HN 0.902 9.122 8.190 0.050 0.000 0.451 346 A N -1.895 120.910 122.820 -0.026 0.000 2.586 346 A HA 0.461 nan 4.320 nan 0.000 0.291 346 A C -2.987 174.645 177.584 0.082 0.000 1.062 346 A CA 0.312 52.313 52.037 -0.059 0.000 0.666 346 A CB 2.216 21.194 19.000 -0.037 0.000 1.281 346 A HN -0.731 7.422 8.150 0.005 0.000 0.421 347 Y N -1.733 118.533 120.300 -0.056 0.000 2.360 347 Y HA 0.721 nan 4.550 nan 0.000 0.337 347 Y C -1.584 174.281 175.900 -0.059 0.000 1.039 347 Y CA -3.100 54.961 58.100 -0.065 0.000 1.109 347 Y CB 3.159 41.570 38.460 -0.082 0.000 1.201 347 Y HN 0.354 8.609 8.280 -0.043 0.000 0.458 348 R N 3.689 124.254 120.500 0.107 0.000 2.255 348 R HA 0.702 nan 4.340 nan 0.000 0.326 348 R C -1.105 175.212 176.300 0.028 0.000 0.986 348 R CA -1.518 54.609 56.100 0.045 0.000 0.847 348 R CB 1.818 32.129 30.300 0.019 0.000 1.111 348 R HN 1.211 9.409 8.270 0.078 0.118 0.452 349 M N 7.204 126.818 119.600 0.024 0.000 2.255 349 M HA 0.379 nan 4.480 nan 0.000 0.336 349 M C -0.649 175.656 176.300 0.008 0.000 1.135 349 M CA -2.678 52.628 55.300 0.010 0.000 1.145 349 M CB -1.255 31.350 32.600 0.008 0.000 1.473 349 M HN 1.219 9.407 8.290 0.025 0.118 0.462 350 P HA -0.281 nan 4.420 nan 0.000 0.218 350 P C -0.968 176.338 177.300 0.010 0.000 1.147 350 P CA 2.564 65.670 63.100 0.010 0.000 0.827 350 P CB -0.572 31.136 31.700 0.014 0.000 0.778 351 D N -4.864 115.541 120.400 0.009 0.000 2.355 351 D HA -0.122 nan 4.640 nan 0.000 0.218 351 D C 1.118 177.422 176.300 0.007 0.000 1.004 351 D CA -0.565 53.439 54.000 0.008 0.000 0.880 351 D CB -0.372 40.432 40.800 0.007 0.000 0.911 351 D HN -0.380 7.948 8.370 0.008 0.047 0.528 352 G N 0.304 109.108 108.800 0.007 0.000 2.339 352 G HA2 -0.383 nan 3.960 nan 0.000 0.209 352 G HA3 -0.383 nan 3.960 nan 0.000 0.209 352 G C -1.157 173.747 174.900 0.007 0.000 1.015 352 G CA -0.321 44.784 45.100 0.007 0.000 0.635 352 G HN 0.574 8.688 8.290 0.008 0.181 0.499 353 R N 2.609 123.112 120.500 0.005 0.000 2.523 353 R HA -0.238 nan 4.340 nan 0.000 0.281 353 R C -1.472 174.833 176.300 0.008 0.000 0.969 353 R CA 1.329 57.431 56.100 0.004 0.000 1.093 353 R CB 0.530 30.831 30.300 0.001 0.000 0.917 353 R HN -0.468 7.904 8.270 0.005 -0.099 0.408 354 E N 3.632 123.835 120.200 0.004 0.000 2.179 354 E HA 0.708 nan 4.350 nan 0.000 0.275 354 E C -1.094 175.502 176.600 -0.008 0.000 0.945 354 E CA -0.572 55.832 56.400 0.007 0.000 0.792 354 E CB 2.267 31.968 29.700 0.002 0.000 1.125 354 E HN 0.032 8.392 8.360 -0.001 0.000 0.397 355 V N -1.976 117.931 119.914 -0.012 0.000 3.078 355 V HA 0.593 nan 4.120 nan 0.000 0.311 355 V C -0.478 175.545 176.094 -0.119 0.000 1.138 355 V CA -2.123 60.145 62.300 -0.054 0.000 1.007 355 V CB 3.448 35.240 31.823 -0.051 0.000 1.045 355 V HN 0.917 9.008 8.190 0.016 0.109 0.432 356 T N -3.734 110.743 114.554 -0.129 0.000 3.044 356 T HA 0.227 nan 4.350 nan 0.000 0.260 356 T C -0.486 174.099 174.700 -0.192 0.000 1.019 356 T CA 0.034 62.036 62.100 -0.163 0.000 0.921 356 T CB 0.436 69.243 68.868 -0.102 0.000 1.053 356 T HN 0.283 8.464 8.240 -0.098 0.000 0.533 357 T N 3.740 118.185 114.554 -0.183 0.000 2.885 357 T HA 0.269 nan 4.350 nan 0.000 0.285 357 T C -0.106 174.471 174.700 -0.204 0.000 1.019 357 T CA -0.595 61.410 62.100 -0.158 0.000 1.010 357 T CB 2.470 71.283 68.868 -0.091 0.000 1.022 357 T HN -0.506 7.580 8.240 -0.158 0.060 0.466 358 T N -0.526 113.926 114.554 -0.170 0.000 2.899 358 T HA 0.413 nan 4.350 nan 0.000 0.295 358 T C -0.979 173.593 174.700 -0.212 0.000 1.033 358 T CA -3.016 58.963 62.100 -0.201 0.000 1.084 358 T CB -0.400 68.445 68.868 -0.038 0.000 0.979 358 T HN 0.112 8.285 8.240 -0.111 0.000 0.532 359 P HA -0.041 nan 4.420 nan 0.000 0.263 359 P C -1.545 175.714 177.300 -0.067 0.000 1.175 359 P CA 0.617 63.512 63.100 -0.342 0.000 0.761 359 P CB 0.103 31.353 31.700 -0.751 0.000 0.794 360 L N -1.915 119.305 121.223 -0.005 0.000 2.223 360 L HA 0.168 nan 4.340 nan 0.000 0.243 360 L C -1.089 175.815 176.870 0.056 0.000 1.105 360 L CA -0.975 53.900 54.840 0.059 0.000 0.943 360 L CB 1.823 43.905 42.059 0.038 0.000 1.542 360 L HN -0.352 7.858 8.230 -0.034 0.000 0.437 361 A N -0.231 122.621 122.820 0.054 0.000 2.049 361 A HA -0.309 nan 4.320 nan 0.000 0.263 361 A C 0.083 177.699 177.584 0.053 0.000 1.316 361 A CA 1.053 53.115 52.037 0.043 0.000 0.759 361 A CB -1.580 17.436 19.000 0.026 0.000 1.141 361 A HN 0.330 8.512 8.150 0.053 0.000 0.325 362 A N 1.137 124.003 122.820 0.077 0.000 5.479 362 A HA -0.386 nan 4.320 nan 0.000 0.301 362 A C -0.856 176.782 177.584 0.089 0.000 1.961 362 A CA 1.126 53.216 52.037 0.089 0.000 0.716 362 A CB -0.639 18.400 19.000 0.065 0.000 1.266 362 A HN -0.122 8.080 8.150 0.086 0.000 0.372 363 D N -1.446 118.997 120.400 0.071 0.000 2.706 363 D HA -0.398 nan 4.640 nan 0.000 0.230 363 D C -0.793 175.553 176.300 0.077 0.000 1.184 363 D CA 0.512 54.547 54.000 0.059 0.000 0.628 363 D CB -1.541 39.279 40.800 0.033 0.000 1.019 363 D HN 0.131 8.540 8.370 0.064 0.000 0.415 364 D N -1.672 118.810 120.400 0.137 0.000 2.309 364 D HA -0.201 nan 4.640 nan 0.000 0.232 364 D C 1.403 177.850 176.300 0.244 0.000 1.319 364 D CA 1.010 55.161 54.000 0.251 0.000 0.884 364 D CB 0.512 41.462 40.800 0.251 0.000 1.237 364 D HN -0.425 8.023 8.370 0.127 -0.001 0.507 365 W N -1.784 119.561 121.300 0.075 0.000 2.825 365 W HA -0.066 nan 4.660 nan 0.000 0.243 365 W C 1.241 177.770 176.519 0.017 0.000 1.293 365 W CA 1.632 59.002 57.345 0.042 0.000 1.403 365 W CB -0.607 28.892 29.460 0.064 0.000 1.134 365 W HN 0.203 8.889 8.180 0.843 0.000 0.666 366 K N -0.293 120.255 120.400 0.247 0.000 2.189 366 K HA -0.293 nan 4.320 nan 0.000 0.207 366 K C 0.726 177.384 176.600 0.098 0.000 1.046 366 K CA 2.079 58.455 56.287 0.148 0.000 0.928 366 K CB -1.343 31.226 32.500 0.115 0.000 0.720 366 K HN -0.050 8.279 8.250 0.267 0.081 0.458 367 G N -2.190 106.656 108.800 0.076 0.000 4.238 367 G HA2 0.191 nan 3.960 nan 0.000 0.292 367 G HA3 0.191 nan 3.960 nan 0.000 0.292 367 G C -2.061 172.843 174.900 0.007 0.000 1.036 367 G CA -0.656 44.468 45.100 0.039 0.000 0.812 367 G HN -0.234 8.076 8.290 0.084 0.030 0.489 368 V N -2.376 117.524 119.914 -0.023 0.000 2.455 368 V HA 0.249 nan 4.120 nan 0.000 0.273 368 V C -0.770 175.262 176.094 -0.103 0.000 1.045 368 V CA -1.018 61.218 62.300 -0.107 0.000 0.976 368 V CB -0.269 31.360 31.823 -0.323 0.000 0.993 368 V HN -0.429 7.769 8.190 0.013 0.000 0.475 369 E N 7.950 128.114 120.200 -0.061 0.000 2.200 369 E HA 0.487 nan 4.350 nan 0.000 0.283 369 E C -2.317 174.235 176.600 -0.080 0.000 1.015 369 E CA -3.272 53.099 56.400 -0.048 0.000 0.819 369 E CB 0.972 30.663 29.700 -0.015 0.000 1.081 369 E HN 0.828 9.063 8.360 -0.037 0.103 0.397 370 P HA 0.268 nan 4.420 nan 0.000 0.282 370 P C -1.242 175.848 177.300 -0.350 0.000 1.262 370 P CA -0.325 62.618 63.100 -0.262 0.000 0.773 370 P CB 0.300 31.696 31.700 -0.508 0.000 0.879 371 I N 5.223 125.676 120.570 -0.196 0.000 2.301 371 I HA 0.066 nan 4.170 nan 0.000 0.292 371 I C -1.006 175.018 176.117 -0.155 0.000 1.046 371 I CA -1.629 59.593 61.300 -0.131 0.000 1.282 371 I CB -1.049 36.935 38.000 -0.026 0.000 1.409 371 I HN 0.811 8.883 8.210 -0.059 0.102 0.484 372 Y N 6.718 127.038 120.300 0.033 0.000 2.458 372 Y HA 0.359 nan 4.550 nan 0.000 0.322 372 Y C -0.810 175.068 175.900 -0.037 0.000 1.259 372 Y CA -1.785 56.307 58.100 -0.014 0.000 1.302 372 Y CB 1.674 40.087 38.460 -0.077 0.000 1.314 372 Y HN 0.206 8.500 8.280 0.024 0.000 0.509 373 E N 1.020 121.314 120.200 0.156 0.000 2.244 373 E HA 0.316 nan 4.350 nan 0.000 0.260 373 E C -1.393 175.188 176.600 -0.031 0.000 0.884 373 E CA -1.238 55.192 56.400 0.050 0.000 0.777 373 E CB 3.361 33.089 29.700 0.046 0.000 1.197 373 E HN 0.122 8.600 8.360 0.196 0.000 0.416 374 T N 7.244 121.764 114.554 -0.057 0.000 2.771 374 T HA 0.470 nan 4.350 nan 0.000 0.291 374 T C -0.517 174.142 174.700 -0.068 0.000 0.954 374 T CA 0.178 62.202 62.100 -0.127 0.000 1.045 374 T CB 0.290 69.080 68.868 -0.131 0.000 0.917 374 T HN 0.414 8.638 8.240 -0.026 0.000 0.484 375 M N 5.287 124.842 119.600 -0.075 0.000 2.528 375 M HA 0.551 nan 4.480 nan 0.000 0.321 375 M C -2.441 173.843 176.300 -0.026 0.000 1.153 375 M CA -2.823 52.481 55.300 0.007 0.000 0.951 375 M CB 2.061 34.734 32.600 0.122 0.000 1.705 375 M HN 1.094 9.183 8.290 -0.151 0.110 0.451 376 P HA 0.208 nan 4.420 nan 0.000 0.277 376 P C -0.646 176.664 177.300 0.016 0.000 1.240 376 P CA -0.843 62.257 63.100 -0.002 0.000 0.798 376 P CB 0.634 32.353 31.700 0.031 0.000 0.979 377 G N -1.458 107.293 108.800 -0.082 0.000 2.543 377 G HA2 0.241 nan 3.960 nan 0.000 0.267 377 G HA3 0.241 nan 3.960 nan 0.000 0.267 377 G C -1.734 173.189 174.900 0.039 0.000 1.406 377 G CA -1.287 43.678 45.100 -0.224 0.000 1.048 377 G HN 0.153 8.272 8.290 -0.102 0.109 0.548 378 W N -5.521 115.759 121.300 -0.033 0.000 2.950 378 W HA 0.459 nan 4.660 nan 0.000 0.340 378 W C -1.253 175.264 176.519 -0.003 0.000 1.139 378 W CA -2.173 55.165 57.345 -0.012 0.000 1.188 378 W CB 1.694 31.153 29.460 -0.001 0.000 1.426 378 W HN -0.359 7.272 8.180 -0.915 0.000 0.531 379 S N -0.180 115.653 115.700 0.221 0.000 2.510 379 S HA -0.083 nan 4.470 nan 0.000 0.230 379 S C -0.503 174.212 174.600 0.193 0.000 1.066 379 S CA 1.146 59.423 58.200 0.128 0.000 0.941 379 S CB 0.129 63.375 63.200 0.076 0.000 0.829 379 S HN -0.076 8.385 8.310 0.252 0.000 0.530 380 E N 3.012 123.338 120.200 0.209 0.000 2.493 380 E HA -0.117 nan 4.350 nan 0.000 0.255 380 E C -0.666 176.075 176.600 0.234 0.000 0.999 380 E CA -0.080 56.422 56.400 0.171 0.000 0.934 380 E CB 0.147 29.915 29.700 0.114 0.000 0.940 380 E HN -0.186 8.297 8.360 0.205 0.000 0.473 381 S N 1.681 117.494 115.700 0.189 0.000 2.558 381 S HA -0.151 nan 4.470 nan 0.000 0.287 381 S C 0.553 175.262 174.600 0.182 0.000 1.321 381 S CA 0.969 59.298 58.200 0.215 0.000 1.048 381 S CB 0.701 64.009 63.200 0.180 0.000 0.844 381 S HN 0.008 8.407 8.310 0.147 0.000 0.512 382 T N 2.268 116.951 114.554 0.215 0.000 3.040 382 T HA 0.215 nan 4.350 nan 0.000 0.266 382 T C -0.035 174.747 174.700 0.136 0.000 1.005 382 T CA -1.026 61.140 62.100 0.110 0.000 0.906 382 T CB 0.828 69.713 68.868 0.027 0.000 1.082 382 T HN 0.812 9.804 8.240 0.296 -0.574 0.531 383 F N 3.805 123.800 119.950 0.075 0.000 2.578 383 F HA -0.414 nan 4.527 nan 0.000 0.376 383 F C 0.558 176.383 175.800 0.042 0.000 1.085 383 F CA 1.910 59.946 58.000 0.060 0.000 1.260 383 F CB 0.235 39.271 39.000 0.060 0.000 1.095 383 F HN -0.714 7.853 8.300 0.370 -0.046 0.573 384 G N 6.179 114.582 108.800 -0.662 0.000 2.284 384 G HA2 -0.335 nan 3.960 nan 0.000 0.261 384 G HA3 -0.335 nan 3.960 nan 0.000 0.261 384 G C -0.658 174.140 174.900 -0.170 0.000 0.997 384 G CA 0.254 45.103 45.100 -0.417 0.000 0.621 384 G HN 0.273 8.065 8.290 -0.906 -0.046 0.534 385 V N 1.499 121.352 119.914 -0.101 0.000 2.644 385 V HA -0.282 nan 4.120 nan 0.000 0.305 385 V C -0.264 175.790 176.094 -0.066 0.000 1.053 385 V CA 1.572 63.837 62.300 -0.058 0.000 1.186 385 V CB -0.058 31.740 31.823 -0.042 0.000 0.895 385 V HN -0.867 7.178 8.190 -0.090 0.090 0.490 386 K N 2.049 122.421 120.400 -0.046 0.000 2.413 386 K HA 0.199 nan 4.320 nan 0.000 0.204 386 K C -1.832 174.752 176.600 -0.027 0.000 1.041 386 K CA -0.840 55.423 56.287 -0.039 0.000 1.082 386 K CB 1.041 33.520 32.500 -0.034 0.000 0.871 386 K HN 0.009 8.237 8.250 -0.036 0.000 0.535 387 D N -2.765 117.619 120.400 -0.026 0.000 2.753 387 D HA 0.180 nan 4.640 nan 0.000 0.224 387 D C -0.083 176.202 176.300 -0.025 0.000 1.213 387 D CA -1.498 52.490 54.000 -0.020 0.000 0.833 387 D CB 2.342 43.133 40.800 -0.015 0.000 1.607 387 D HN -0.761 7.537 8.370 -0.031 0.054 0.463 388 R N 2.718 123.206 120.500 -0.022 0.000 2.249 388 R HA -0.230 nan 4.340 nan 0.000 0.230 388 R C 0.944 177.225 176.300 -0.031 0.000 1.121 388 R CA 2.689 58.773 56.100 -0.027 0.000 0.997 388 R CB -0.141 30.148 30.300 -0.018 0.000 0.867 388 R HN 0.525 8.785 8.270 -0.016 0.000 0.465 389 S N -1.304 114.382 115.700 -0.024 0.000 2.470 389 S HA 0.006 nan 4.470 nan 0.000 0.225 389 S C 1.120 175.705 174.600 -0.025 0.000 1.006 389 S CA 2.202 60.390 58.200 -0.021 0.000 0.934 389 S CB 0.183 63.376 63.200 -0.012 0.000 0.778 389 S HN -0.477 7.996 8.310 -0.019 -0.174 0.517 390 G N 0.608 109.392 108.800 -0.028 0.000 2.813 390 G HA2 -0.132 nan 3.960 nan 0.000 0.209 390 G HA3 -0.132 nan 3.960 nan 0.000 0.209 390 G C -0.906 173.966 174.900 -0.048 0.000 1.150 390 G CA 0.222 45.306 45.100 -0.026 0.000 0.785 390 G HN -0.333 7.802 8.290 -0.028 0.137 0.535 391 L N 2.834 124.014 121.223 -0.071 0.000 2.281 391 L HA 0.280 nan 4.340 nan 0.000 0.285 391 L C -1.403 175.388 176.870 -0.132 0.000 1.074 391 L CA -2.898 51.865 54.840 -0.128 0.000 0.817 391 L CB -0.013 41.968 42.059 -0.130 0.000 1.168 391 L HN -0.769 7.251 8.230 -0.059 0.175 0.434 392 P HA 0.086 nan 4.420 nan 0.000 0.270 392 P C 0.182 177.410 177.300 -0.120 0.000 1.223 392 P CA -0.755 62.275 63.100 -0.117 0.000 0.785 392 P CB 1.055 32.694 31.700 -0.101 0.000 0.923 393 Q N 2.368 122.141 119.800 -0.045 0.000 2.084 393 Q HA -0.381 nan 4.340 nan 0.000 0.202 393 Q C 1.896 177.891 176.000 -0.008 0.000 0.978 393 Q CA 3.420 59.210 55.803 -0.022 0.000 0.844 393 Q CB -0.710 28.033 28.738 0.008 0.000 0.898 393 Q HN 0.571 8.830 8.270 -0.019 0.000 0.426 394 A N -0.804 122.035 122.820 0.031 0.000 1.865 394 A HA -0.262 nan 4.320 nan 0.000 0.217 394 A C 1.680 179.285 177.584 0.035 0.000 1.191 394 A CA 3.163 55.279 52.037 0.131 0.000 0.623 394 A CB -1.342 17.841 19.000 0.304 0.000 0.826 394 A HN 0.363 8.539 8.150 0.042 0.000 0.444 395 A N -1.373 121.212 122.820 -0.391 0.000 1.892 395 A HA -0.245 nan 4.320 nan 0.000 0.218 395 A C 2.508 179.950 177.584 -0.236 0.000 1.188 395 A CA 2.790 54.313 52.037 -0.856 0.000 0.631 395 A CB -0.960 17.328 19.000 -1.186 0.000 0.822 395 A HN -0.004 7.912 8.150 -0.390 0.000 0.447 396 L N -2.465 118.667 121.223 -0.151 0.000 2.012 396 L HA -0.564 nan 4.340 nan 0.000 0.210 396 L C 2.386 179.271 176.870 0.025 0.000 1.073 396 L CA 3.334 58.146 54.840 -0.047 0.000 0.748 396 L CB -0.620 41.412 42.059 -0.045 0.000 0.891 396 L HN -0.212 7.903 8.230 -0.192 0.000 0.431 397 N N -0.462 118.269 118.700 0.053 0.000 2.061 397 N HA -0.413 nan 4.740 nan 0.000 0.193 397 N C 2.126 177.715 175.510 0.131 0.000 1.030 397 N CA 3.253 56.353 53.050 0.085 0.000 0.856 397 N CB -0.520 38.026 38.487 0.098 0.000 1.023 397 N HN 0.328 8.618 8.380 0.033 0.110 0.424 398 Y N 1.797 122.133 120.300 0.060 0.000 2.081 398 Y HA -0.437 nan 4.550 nan 0.000 0.280 398 Y C 1.907 177.846 175.900 0.065 0.000 1.163 398 Y CA 4.011 62.171 58.100 0.100 0.000 1.135 398 Y CB -0.011 38.577 38.460 0.213 0.000 0.970 398 Y HN -0.318 8.142 8.280 0.300 0.000 0.498 399 I N -2.026 118.609 120.570 0.109 0.000 2.163 399 I HA -0.706 nan 4.170 nan 0.000 0.243 399 I C 1.672 177.769 176.117 -0.032 0.000 1.085 399 I CA 4.232 65.533 61.300 0.002 0.000 1.347 399 I CB -0.238 37.794 38.000 0.054 0.000 1.044 399 I HN -0.305 8.047 8.210 0.236 0.000 0.408 400 K N -0.253 120.148 120.400 0.002 0.000 2.044 400 K HA -0.463 nan 4.320 nan 0.000 0.210 400 K C 2.286 178.876 176.600 -0.018 0.000 1.049 400 K CA 3.749 60.037 56.287 0.002 0.000 0.927 400 K CB -0.154 32.355 32.500 0.016 0.000 0.713 400 K HN 0.204 8.303 8.250 0.029 0.168 0.443 401 R N -1.367 119.110 120.500 -0.038 0.000 2.081 401 R HA -0.232 nan 4.340 nan 0.000 0.235 401 R C 2.360 178.608 176.300 -0.087 0.000 1.131 401 R CA 2.236 58.304 56.100 -0.054 0.000 0.960 401 R CB -0.714 29.556 30.300 -0.050 0.000 0.856 401 R HN -0.006 8.065 8.270 -0.023 0.185 0.436 402 I N -0.176 120.295 120.570 -0.165 0.000 2.151 402 I HA -0.660 nan 4.170 nan 0.000 0.243 402 I C 1.749 177.846 176.117 -0.033 0.000 1.080 402 I CA 4.429 65.635 61.300 -0.156 0.000 1.339 402 I CB -0.347 37.500 38.000 -0.255 0.000 1.039 402 I HN -0.052 8.018 8.210 -0.233 0.000 0.409 403 E N -1.541 118.661 120.200 0.003 0.000 2.097 403 E HA -0.474 nan 4.350 nan 0.000 0.196 403 E C 2.767 179.387 176.600 0.032 0.000 1.000 403 E CA 3.540 59.974 56.400 0.056 0.000 0.804 403 E CB -0.565 29.161 29.700 0.044 0.000 0.740 403 E HN -0.276 8.069 8.360 -0.025 0.000 0.454 404 E N -1.010 119.193 120.200 0.006 0.000 2.077 404 E HA -0.283 nan 4.350 nan 0.000 0.193 404 E C 2.203 178.801 176.600 -0.003 0.000 0.989 404 E CA 2.300 58.699 56.400 -0.001 0.000 0.800 404 E CB -0.086 29.610 29.700 -0.006 0.000 0.746 404 E HN -0.662 7.621 8.360 -0.004 0.075 0.452 405 L N -3.191 118.027 121.223 -0.007 0.000 2.291 405 L HA -0.189 nan 4.340 nan 0.000 0.214 405 L C 1.109 177.981 176.870 0.004 0.000 1.120 405 L CA 1.804 56.638 54.840 -0.011 0.000 0.799 405 L CB 0.444 42.490 42.059 -0.023 0.000 0.925 405 L HN -0.185 8.036 8.230 -0.015 0.000 0.446 406 T N -9.463 105.113 114.554 0.037 0.000 3.018 406 T HA 0.157 nan 4.350 nan 0.000 0.246 406 T C 1.484 176.204 174.700 0.034 0.000 1.026 406 T CA 0.396 62.541 62.100 0.074 0.000 1.081 406 T CB 1.546 70.556 68.868 0.237 0.000 0.970 406 T HN -0.282 7.856 8.240 0.043 0.127 0.475 407 G N 2.296 111.111 108.800 0.024 0.000 2.143 407 G HA2 -0.352 nan 3.960 nan 0.000 0.249 407 G HA3 -0.352 nan 3.960 nan 0.000 0.249 407 G C -1.118 173.754 174.900 -0.046 0.000 0.981 407 G CA 0.316 45.407 45.100 -0.015 0.000 0.665 407 G HN 0.364 8.553 8.290 0.039 0.125 0.528 408 V N 1.322 121.217 119.914 -0.030 0.000 2.487 408 V HA 0.330 nan 4.120 nan 0.000 0.298 408 V C -2.322 173.755 176.094 -0.027 0.000 1.028 408 V CA -3.076 59.133 62.300 -0.152 0.000 0.860 408 V CB 2.416 33.946 31.823 -0.487 0.000 0.991 408 V HN -0.668 7.512 8.190 0.053 0.042 0.427 409 P HA 0.160 nan 4.420 nan 0.000 0.279 409 P C -1.101 176.265 177.300 0.110 0.000 1.239 409 P CA -1.142 61.981 63.100 0.039 0.000 0.789 409 P CB 1.095 32.804 31.700 0.014 0.000 0.933 410 I N 3.647 124.314 120.570 0.162 0.000 2.329 410 I HA -0.204 nan 4.170 nan 0.000 0.295 410 I C -0.504 175.684 176.117 0.119 0.000 1.109 410 I CA 1.204 62.619 61.300 0.191 0.000 1.297 410 I CB -0.854 37.236 38.000 0.149 0.000 1.433 410 I HN -0.131 8.449 8.210 0.129 -0.292 0.509 411 D N 5.909 126.384 120.400 0.125 0.000 2.289 411 D HA 0.059 nan 4.640 nan 0.000 0.207 411 D C -0.686 175.653 176.300 0.064 0.000 0.966 411 D CA 2.077 56.131 54.000 0.090 0.000 0.868 411 D CB 1.425 42.296 40.800 0.118 0.000 0.943 411 D HN 0.283 8.659 8.370 0.157 0.087 0.514 412 I N -2.599 118.019 120.570 0.080 0.000 2.686 412 I HA 0.556 nan 4.170 nan 0.000 0.295 412 I C -2.238 173.916 176.117 0.062 0.000 1.114 412 I CA -0.629 60.705 61.300 0.057 0.000 1.038 412 I CB 4.435 42.467 38.000 0.052 0.000 1.238 412 I HN -0.428 7.822 8.210 0.113 0.027 0.420 413 I N 3.925 124.520 120.570 0.041 0.000 2.465 413 I HA 0.574 nan 4.170 nan 0.000 0.291 413 I C -1.779 174.353 176.117 0.026 0.000 1.014 413 I CA -1.495 59.828 61.300 0.039 0.000 1.093 413 I CB 3.187 41.204 38.000 0.029 0.000 1.267 413 I HN 1.029 9.141 8.210 0.030 0.117 0.431 414 S N 4.724 120.445 115.700 0.034 0.000 2.451 414 S HA 0.639 nan 4.470 nan 0.000 0.301 414 S C -0.269 174.343 174.600 0.019 0.000 1.116 414 S CA -1.755 56.457 58.200 0.020 0.000 1.093 414 S CB 1.494 64.713 63.200 0.032 0.000 1.017 414 S HN 0.814 9.154 8.310 0.050 0.000 0.482 415 T N 2.140 116.675 114.554 -0.032 0.000 3.231 415 T HA 0.491 nan 4.350 nan 0.000 0.292 415 T C -1.367 173.213 174.700 -0.200 0.000 1.001 415 T CA -1.617 60.449 62.100 -0.057 0.000 0.920 415 T CB 0.747 69.562 68.868 -0.089 0.000 1.140 415 T HN 0.171 8.374 8.240 -0.061 0.000 0.525 416 G N 0.281 108.997 108.800 -0.140 0.000 2.519 416 G HA2 0.319 nan 3.960 nan 0.000 0.292 416 G HA3 0.319 nan 3.960 nan 0.000 0.292 416 G C -2.988 171.914 174.900 0.003 0.000 1.507 416 G CA 0.252 45.248 45.100 -0.174 0.000 0.806 416 G HN -0.920 7.334 8.290 -0.060 0.000 0.523 417 P HA -0.128 nan 4.420 nan 0.000 0.218 417 P C -0.787 176.542 177.300 0.047 0.000 1.149 417 P CA 0.841 63.990 63.100 0.083 0.000 0.817 417 P CB 0.605 32.375 31.700 0.116 0.000 0.785 418 D N -1.625 118.795 120.400 0.033 0.000 2.339 418 D HA -0.030 nan 4.640 nan 0.000 0.245 418 D C 1.718 178.017 176.300 -0.001 0.000 1.115 418 D CA -0.926 53.086 54.000 0.020 0.000 0.917 418 D CB 1.930 42.742 40.800 0.021 0.000 1.192 418 D HN -0.756 7.770 8.370 0.034 -0.136 0.428 419 R N 2.375 122.882 120.500 0.011 0.000 2.152 419 R HA -0.214 nan 4.340 nan 0.000 0.232 419 R C 0.407 176.704 176.300 -0.005 0.000 1.117 419 R CA 2.263 58.369 56.100 0.010 0.000 0.981 419 R CB -0.707 29.607 30.300 0.023 0.000 0.870 419 R HN 0.282 8.565 8.270 0.022 0.000 0.451 420 T N 0.040 114.585 114.554 -0.015 0.000 2.867 420 T HA -0.023 nan 4.350 nan 0.000 0.268 420 T C 0.860 175.532 174.700 -0.048 0.000 1.057 420 T CA 2.462 64.547 62.100 -0.024 0.000 1.136 420 T CB -0.188 68.667 68.868 -0.021 0.000 0.874 420 T HN -0.264 8.277 8.240 -0.010 -0.307 0.466 421 E N 2.546 122.698 120.200 -0.079 0.000 2.148 421 E HA 0.008 nan 4.350 nan 0.000 0.308 421 E C -1.562 174.989 176.600 -0.082 0.000 1.278 421 E CA -0.353 55.971 56.400 -0.126 0.000 1.368 421 E CB -1.471 28.084 29.700 -0.242 0.000 1.229 421 E HN -0.526 7.763 8.360 -0.074 0.026 0.494 422 T N 2.434 116.959 114.554 -0.048 0.000 2.993 422 T HA 0.415 nan 4.350 nan 0.000 0.312 422 T C -1.493 173.198 174.700 -0.015 0.000 1.115 422 T CA -0.386 61.700 62.100 -0.023 0.000 1.027 422 T CB 2.418 71.283 68.868 -0.005 0.000 1.116 422 T HN 0.036 8.193 8.240 -0.045 0.055 0.464 423 M N 6.166 125.762 119.600 -0.007 0.000 2.149 423 M HA 0.366 nan 4.480 nan 0.000 0.342 423 M C -1.526 174.779 176.300 0.008 0.000 1.068 423 M CA -0.822 54.477 55.300 -0.002 0.000 0.991 423 M CB 3.252 35.849 32.600 -0.004 0.000 1.596 423 M HN 0.981 9.160 8.290 -0.003 0.109 0.439 424 I N 4.573 125.147 120.570 0.007 0.000 2.359 424 I HA 0.166 nan 4.170 nan 0.000 0.284 424 I C -0.458 175.663 176.117 0.007 0.000 1.018 424 I CA -0.205 61.101 61.300 0.009 0.000 1.173 424 I CB 0.430 38.434 38.000 0.008 0.000 1.326 424 I HN 0.497 8.710 8.210 0.004 0.000 0.462 425 L N 6.494 127.723 121.223 0.012 0.000 2.307 425 L HA 0.047 nan 4.340 nan 0.000 0.211 425 L C 0.262 177.136 176.870 0.007 0.000 1.099 425 L CA 1.906 56.753 54.840 0.012 0.000 0.816 425 L CB 0.410 42.481 42.059 0.021 0.000 0.952 425 L HN 1.010 9.144 8.230 0.018 0.107 0.455 426 R N -2.446 118.053 120.500 -0.002 0.000 2.342 426 R HA 0.071 nan 4.340 nan 0.000 0.179 426 R C -0.937 175.329 176.300 -0.058 0.000 0.989 426 R CA -0.022 56.067 56.100 -0.018 0.000 1.125 426 R CB 3.044 33.344 30.300 0.001 0.000 1.211 426 R HN -0.563 7.707 8.270 -0.001 0.000 0.568 427 D N -0.990 119.346 120.400 -0.108 0.000 3.814 427 D HA -0.000 nan 4.640 nan 0.000 0.219 427 D C -1.812 174.274 176.300 -0.356 0.000 1.296 427 D CA 0.022 53.931 54.000 -0.151 0.000 0.799 427 D CB 0.156 40.928 40.800 -0.047 0.000 0.437 427 D HN -0.100 8.218 8.370 -0.086 0.000 0.185 428 P HA -0.210 nan 4.420 nan 0.000 0.218 428 P C -0.022 176.740 177.300 -0.896 0.000 1.154 428 P CA 1.609 63.956 63.100 -1.256 0.000 0.872 428 P CB 0.219 31.270 31.700 -1.082 0.000 0.790 429 F N -4.062 115.591 119.950 -0.496 0.000 2.053 429 F HA -0.186 nan 4.527 nan 0.000 0.292 429 F C 1.444 177.006 175.800 -0.397 0.000 1.125 429 F CA 2.741 60.377 58.000 -0.606 0.000 1.193 429 F CB 0.102 38.499 39.000 -1.005 0.000 0.996 429 F HN -0.750 7.308 8.300 -0.404 0.000 0.470 430 D N 0.233 120.616 120.400 -0.028 0.000 3.032 430 D HA -0.037 nan 4.640 nan 0.000 0.241 430 D C -1.089 175.199 176.300 -0.020 0.000 1.196 430 D CA 0.261 54.277 54.000 0.027 0.000 0.927 430 D CB -1.680 39.170 40.800 0.083 0.000 1.129 430 D HN -0.526 8.133 8.370 0.016 -0.278 0.458 431 A N 0.000 122.781 122.820 -0.065 0.000 2.254 431 A HA 0.000 nan 4.320 nan 0.000 0.244 431 A CA 0.000 52.010 52.037 -0.045 0.000 0.836 431 A CB 0.000 18.975 19.000 -0.042 0.000 0.831 431 A HN 0.000 7.996 8.150 -0.097 0.096 0.486