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 1y2m_1_C DATA FIRST_RESID 26 DATA SEQUENCE ASTNLAVAGS HLPTTQVTQV DIVEKXLAAP TDSTLELDGY SLNLGDVVSA DATA SEQUENCE ARKGRPVRVK DSDEIRSKID KSVEFLRSXX XXXXXXXXXX XXXXXXXXXE DATA SEQUENCE DAISLQKALL EHQLCGVLPS SFDSFRLGRG LENSLPLEVV RGAXTIRVNS DATA SEQUENCE LTRGHSAVRL VVLEALTNFL NHGITPIVPL RGTISASGDL SPLSYIAAAI DATA SEQUENCE SGHPDSKVHV VHEGKEKILY AREAXALFNL EPVVLGPKEG LGLVNGTAVS DATA SEQUENCE ASXATLALHD AHXLSLLSQS LTAXTVEAXV GHAGSFHPFL HDVTRPHPTQ DATA SEQUENCE IEVAGNIRKL LEGSRFAVHH EEXXXXXXDE GILRQDRYPL RTSPQWLGPL DATA SEQUENCE VSDLIHAHAV LTIEAGQSTT DNPLIDVENK TSHHGGNFQA AAVANTXEKT DATA SEQUENCE RLGLAQIGKL NFTQLTEXLN AGXNRGLPSC LAAEDPSLSY HCKGLDIAAA DATA SEQUENCE AYTSELGHLA NPVTTHVQPA EXANQAVNSL ALISARRTTE SNDVLSLLLA DATA SEQUENCE THLYCVLQAI DLRAIEFEFK KQFGPAIVSL IDQHFGSAXT GSNLRDELVE DATA SEQUENCE KVNKTLAKRL EQTNSYDLVP RWHDAFSFAA GTVVEVLSST SLSLAAVNAW DATA SEQUENCE KVAAAESAIS LTRQVRETFW SAASTSSPAL SYLSPRTQIL YAFVREELGV DATA SEQUENCE KARRGDVFLG KQEVTIGSNV SKIYEAIKSG RINNVLLKXL 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 26 A HA 0.000 nan 4.320 nan 0.000 0.244 26 A C 0.000 177.619 177.584 0.059 0.000 1.274 26 A CA 0.000 52.098 52.037 0.102 0.000 0.836 26 A CB 0.000 19.076 19.000 0.126 0.000 0.831 27 S N 0.882 116.612 115.700 0.050 0.000 2.549 27 S HA 0.385 4.854 4.470 -0.001 0.000 0.283 27 S C 1.449 176.069 174.600 0.033 0.000 1.320 27 S CA 0.731 58.952 58.200 0.035 0.000 1.058 27 S CB 0.307 63.526 63.200 0.033 0.000 0.882 27 S HN 1.734 nan 8.310 nan 0.000 0.498 28 T N 1.564 116.132 114.554 0.023 0.000 3.122 28 T HA 0.168 4.518 4.350 -0.001 0.000 0.250 28 T C 0.458 175.166 174.700 0.014 0.000 1.067 28 T CA -0.442 61.670 62.100 0.020 0.000 0.966 28 T CB -0.352 68.525 68.868 0.015 0.000 1.002 28 T HN 0.484 nan 8.240 nan 0.000 0.542 29 N N 1.694 120.402 118.700 0.012 0.000 2.411 29 N HA 0.202 4.941 4.740 -0.001 0.000 0.259 29 N C 1.031 176.542 175.510 0.000 0.000 1.103 29 N CA -0.361 52.691 53.050 0.003 0.000 0.954 29 N CB 0.673 39.160 38.487 0.000 0.000 1.085 29 N HN 0.286 nan 8.380 nan 0.000 0.485 30 L N 2.962 124.181 121.223 -0.007 0.000 2.187 30 L HA -0.179 4.161 4.340 -0.001 0.000 0.213 30 L C 2.199 179.043 176.870 -0.044 0.000 1.100 30 L CA 1.217 56.047 54.840 -0.016 0.000 0.765 30 L CB -0.358 41.690 42.059 -0.018 0.000 0.904 30 L HN 0.609 nan 8.230 nan 0.000 0.437 31 A N -0.475 122.313 122.820 -0.053 0.000 2.019 31 A HA -0.120 4.199 4.320 -0.001 0.000 0.219 31 A C 2.257 179.792 177.584 -0.081 0.000 1.164 31 A CA 1.728 53.711 52.037 -0.090 0.000 0.644 31 A CB -0.496 18.460 19.000 -0.073 0.000 0.805 31 A HN 0.244 nan 8.150 nan 0.000 0.449 32 V N -1.015 118.890 119.914 -0.015 0.000 2.426 32 V HA -0.015 4.104 4.120 -0.001 0.000 0.242 32 V C 2.840 179.002 176.094 0.112 0.000 1.036 32 V CA 1.520 63.849 62.300 0.048 0.000 1.044 32 V CB -0.909 30.941 31.823 0.044 0.000 0.688 32 V HN 0.527 nan 8.190 nan 0.000 0.462 33 A N -0.567 122.294 122.820 0.068 0.000 2.119 33 A HA 0.424 4.744 4.320 -0.001 0.000 0.216 33 A C 1.593 179.235 177.584 0.098 0.000 1.152 33 A CA 1.137 53.220 52.037 0.077 0.000 0.708 33 A CB -0.795 18.230 19.000 0.041 0.000 0.805 33 A HN 1.041 nan 8.150 nan 0.000 0.460 34 G N -1.138 107.703 108.800 0.069 0.000 2.692 34 G HA2 0.003 3.962 3.960 -0.001 0.000 0.248 34 G HA3 0.003 3.962 3.960 -0.001 0.000 0.248 34 G C -0.021 174.847 174.900 -0.053 0.000 1.340 34 G CA 0.126 45.227 45.100 0.000 0.000 0.896 34 G HN 1.561 nan 8.290 nan 0.000 0.570 35 S N -1.913 113.735 115.700 -0.086 0.000 2.572 35 S HA 0.610 5.080 4.470 -0.001 0.000 0.274 35 S C 0.478 175.020 174.600 -0.097 0.000 1.150 35 S CA 0.188 58.348 58.200 -0.068 0.000 0.944 35 S CB 1.288 64.490 63.200 0.005 0.000 1.071 35 S HN 0.806 nan 8.310 nan 0.000 0.479 36 H N 2.372 121.435 119.070 -0.012 0.000 2.529 36 H HA 0.219 4.774 4.556 -0.001 0.000 0.277 36 H C 0.457 175.908 175.328 0.204 0.000 0.999 36 H CA 1.209 57.268 56.048 0.019 0.000 1.256 36 H CB 0.023 29.759 29.762 -0.044 0.000 1.402 36 H HN 0.438 nan 8.280 nan 0.000 0.566 37 L N -2.464 118.888 121.223 0.215 0.000 2.333 37 L HA 0.599 4.939 4.340 -0.001 0.000 0.269 37 L C -2.834 174.098 176.870 0.103 0.000 1.010 37 L CA -2.954 51.976 54.840 0.150 0.000 0.818 37 L CB 0.947 43.071 42.059 0.108 0.000 1.306 37 L HN -0.345 nan 8.230 nan 0.000 0.430 38 P HA 0.303 nan 4.420 nan 0.000 0.268 38 P C -0.576 176.758 177.300 0.056 0.000 1.204 38 P CA 0.005 63.147 63.100 0.070 0.000 0.768 38 P CB 0.888 32.636 31.700 0.081 0.000 0.842 39 T N -0.219 114.360 114.554 0.042 0.000 3.047 39 T HA 0.295 4.645 4.350 -0.001 0.000 0.340 39 T C 0.808 175.519 174.700 0.019 0.000 1.421 39 T CA -0.250 61.868 62.100 0.030 0.000 1.090 39 T CB 0.470 69.354 68.868 0.026 0.000 1.292 39 T HN 0.396 nan 8.240 nan 0.000 0.480 40 T N 1.420 115.983 114.554 0.016 0.000 3.160 40 T HA 0.027 4.377 4.350 -0.001 0.000 0.257 40 T C 1.324 176.025 174.700 0.001 0.000 1.147 40 T CA 0.449 62.555 62.100 0.009 0.000 1.064 40 T CB -0.021 68.853 68.868 0.010 0.000 0.949 40 T HN 0.522 nan 8.240 nan 0.000 0.526 41 Q N 0.376 120.177 119.800 0.001 0.000 2.472 41 Q HA 0.333 4.672 4.340 -0.001 0.000 0.208 41 Q C 0.420 176.411 176.000 -0.016 0.000 0.958 41 Q CA 0.176 55.976 55.803 -0.005 0.000 0.932 41 Q CB 0.193 28.932 28.738 0.000 0.000 1.007 41 Q HN 0.521 nan 8.270 nan 0.000 0.508 42 V N 0.103 120.005 119.914 -0.021 0.000 3.048 42 V HA 0.538 4.657 4.120 -0.001 0.000 0.303 42 V C -1.145 174.920 176.094 -0.049 0.000 1.214 42 V CA -0.379 61.896 62.300 -0.042 0.000 0.984 42 V CB 2.434 34.226 31.823 -0.051 0.000 1.054 42 V HN 0.290 nan 8.190 nan 0.000 0.430 43 T N 1.369 115.879 114.554 -0.073 0.000 2.916 43 T HA 0.392 4.741 4.350 -0.001 0.000 0.292 43 T C 0.569 175.192 174.700 -0.129 0.000 1.064 43 T CA 0.036 62.090 62.100 -0.078 0.000 1.011 43 T CB 1.904 70.733 68.868 -0.065 0.000 1.152 43 T HN 0.739 nan 8.240 nan 0.000 0.510 44 Q N 0.216 119.943 119.800 -0.123 0.000 2.124 44 Q HA -0.093 4.246 4.340 -0.001 0.000 0.202 44 Q C 1.954 177.827 176.000 -0.213 0.000 0.977 44 Q CA 1.683 57.370 55.803 -0.193 0.000 0.850 44 Q CB -0.383 28.295 28.738 -0.100 0.000 0.901 44 Q HN 0.666 nan 8.270 nan 0.000 0.429 45 V N 1.575 121.406 119.914 -0.139 0.000 2.332 45 V HA -0.283 3.836 4.120 -0.001 0.000 0.248 45 V C 1.739 177.749 176.094 -0.140 0.000 1.055 45 V CA 2.113 64.337 62.300 -0.127 0.000 1.038 45 V CB -0.596 31.173 31.823 -0.089 0.000 0.651 45 V HN 0.444 nan 8.190 nan 0.000 0.450 46 D N 0.038 120.357 120.400 -0.134 0.000 2.104 46 D HA -0.156 4.483 4.640 -0.001 0.000 0.194 46 D C 2.060 178.259 176.300 -0.169 0.000 0.994 46 D CA 1.511 55.436 54.000 -0.125 0.000 0.830 46 D CB -0.223 40.512 40.800 -0.108 0.000 0.959 46 D HN 0.417 nan 8.370 nan 0.000 0.452 47 I N 0.445 120.859 120.570 -0.259 0.000 2.226 47 I HA -0.218 3.952 4.170 -0.001 0.000 0.245 47 I C 2.463 178.390 176.117 -0.317 0.000 1.100 47 I CA 0.604 61.675 61.300 -0.382 0.000 1.374 47 I CB -0.087 37.498 38.000 -0.691 0.000 1.057 47 I HN -0.118 nan 8.210 nan 0.000 0.413 48 V N 0.569 120.303 119.914 -0.301 0.000 2.427 48 V HA -0.268 3.852 4.120 -0.001 0.000 0.248 48 V C 2.463 178.483 176.094 -0.123 0.000 1.051 48 V CA 1.935 64.108 62.300 -0.212 0.000 1.048 48 V CB -0.569 31.136 31.823 -0.196 0.000 0.666 48 V HN 0.481 nan 8.190 nan 0.000 0.456 49 E N 0.266 120.397 120.200 -0.114 0.000 2.058 49 E HA -0.193 4.157 4.350 -0.001 0.000 0.194 49 E C 1.140 177.709 176.600 -0.052 0.000 0.997 49 E CA 0.941 57.296 56.400 -0.074 0.000 0.801 49 E CB 0.126 29.784 29.700 -0.071 0.000 0.746 49 E HN 0.393 nan 8.360 nan 0.000 0.450 53 A N 1.066 123.894 122.820 0.013 0.000 2.206 53 A HA 0.524 4.844 4.320 -0.001 0.000 0.211 53 A C 1.274 178.867 177.584 0.015 0.000 1.158 53 A CA 0.727 52.769 52.037 0.009 0.000 0.761 53 A CB -0.300 18.700 19.000 0.000 0.000 0.801 53 A HN 0.299 nan 8.150 nan 0.000 0.473 54 A N 1.412 124.247 122.820 0.025 0.000 2.546 54 A HA 0.448 4.767 4.320 -0.001 0.000 0.243 54 A C -2.105 175.488 177.584 0.015 0.000 1.063 54 A CA -0.803 51.247 52.037 0.022 0.000 0.757 54 A CB -0.502 18.516 19.000 0.029 0.000 0.991 54 A HN 0.285 nan 8.150 nan 0.000 0.503 55 P HA 0.111 nan 4.420 nan 0.000 0.267 55 P C 0.921 178.223 177.300 0.004 0.000 1.200 55 P CA 0.482 63.585 63.100 0.006 0.000 0.772 55 P CB 0.587 32.290 31.700 0.004 0.000 0.855 56 T N -3.415 111.140 114.554 0.003 0.000 2.985 56 T HA 0.027 4.377 4.350 -0.001 0.000 0.254 56 T C 0.847 175.545 174.700 -0.003 0.000 1.021 56 T CA 0.157 62.257 62.100 -0.001 0.000 0.957 56 T CB -0.177 68.692 68.868 0.001 0.000 1.047 56 T HN 0.371 nan 8.240 nan 0.000 0.511 57 D N 2.382 122.781 120.400 -0.001 0.000 2.431 57 D HA 0.057 4.696 4.640 -0.001 0.000 0.235 57 D C 1.196 177.494 176.300 -0.004 0.000 0.980 57 D CA 0.372 54.371 54.000 -0.002 0.000 0.912 57 D CB -0.679 40.122 40.800 0.001 0.000 1.056 57 D HN 0.503 nan 8.370 nan 0.000 0.494 58 S N 0.139 115.838 115.700 -0.002 0.000 2.603 58 S HA 0.328 4.797 4.470 -0.001 0.000 0.268 58 S C 0.302 174.898 174.600 -0.005 0.000 1.317 58 S CA -0.593 57.605 58.200 -0.003 0.000 1.012 58 S CB 0.769 63.969 63.200 -0.000 0.000 0.926 58 S HN 0.103 nan 8.310 nan 0.000 0.539 59 T N 2.496 117.046 114.554 -0.006 0.000 2.851 59 T HA 0.249 4.598 4.350 -0.001 0.000 0.298 59 T C -0.098 174.599 174.700 -0.006 0.000 0.977 59 T CA -0.377 61.718 62.100 -0.009 0.000 1.126 59 T CB 0.207 69.068 68.868 -0.010 0.000 0.916 59 T HN 0.542 nan 8.240 nan 0.000 0.529 60 L N 4.524 125.743 121.223 -0.007 0.000 2.325 60 L HA 0.272 4.611 4.340 -0.001 0.000 0.284 60 L C 0.192 177.061 176.870 -0.003 0.000 1.089 60 L CA 0.234 55.071 54.840 -0.004 0.000 0.836 60 L CB -0.078 41.978 42.059 -0.006 0.000 1.184 60 L HN 0.561 nan 8.230 nan 0.000 0.444 61 E N 6.084 126.285 120.200 0.002 0.000 2.146 61 E HA 0.302 4.651 4.350 -0.001 0.000 0.282 61 E C -1.026 175.579 176.600 0.008 0.000 0.989 61 E CA -0.499 55.903 56.400 0.004 0.000 0.799 61 E CB 1.253 30.957 29.700 0.007 0.000 1.088 61 E HN 0.594 nan 8.360 nan 0.000 0.397 62 L N 3.641 124.867 121.223 0.005 0.000 2.276 62 L HA 0.197 4.537 4.340 -0.001 0.000 0.286 62 L C 0.472 177.352 176.870 0.016 0.000 1.061 62 L CA -0.200 54.643 54.840 0.006 0.000 0.807 62 L CB 0.632 42.687 42.059 -0.006 0.000 1.177 62 L HN 0.598 nan 8.230 nan 0.000 0.429 63 D N 0.120 120.543 120.400 0.037 0.000 2.500 63 D HA 0.185 4.824 4.640 -0.001 0.000 0.217 63 D C 1.097 177.473 176.300 0.126 0.000 1.159 63 D CA 0.390 54.435 54.000 0.076 0.000 0.828 63 D CB 1.011 41.866 40.800 0.092 0.000 1.039 63 D HN 0.649 nan 8.370 nan 0.000 0.512 64 G N -0.449 108.360 108.800 0.016 0.000 2.194 64 G HA2 -0.351 3.608 3.960 -0.001 0.000 0.236 64 G HA3 -0.351 3.608 3.960 -0.001 0.000 0.236 64 G C 0.452 175.076 174.900 -0.460 0.000 0.987 64 G CA 0.475 45.467 45.100 -0.181 0.000 0.635 64 G HN 0.384 nan 8.290 nan 0.000 0.520 65 Y N -0.573 119.723 120.300 -0.007 0.000 2.498 65 Y HA 0.284 4.833 4.550 -0.001 0.000 0.278 65 Y C 2.474 178.375 175.900 0.001 0.000 1.148 65 Y CA 0.849 58.949 58.100 0.000 0.000 1.126 65 Y CB 0.128 38.588 38.460 0.000 0.000 1.320 65 Y HN 0.204 nan 8.280 nan 0.000 0.538 66 S N 0.589 116.372 115.700 0.139 0.000 2.496 66 S HA 0.039 4.509 4.470 -0.001 0.000 0.224 66 S C 0.472 175.099 174.600 0.045 0.000 0.996 66 S CA -0.052 58.197 58.200 0.082 0.000 0.927 66 S CB -0.156 63.084 63.200 0.066 0.000 0.774 66 S HN 0.150 nan 8.310 nan 0.000 0.524 67 L N 4.255 125.493 121.223 0.025 0.000 2.513 67 L HA 0.204 4.543 4.340 -0.001 0.000 0.272 67 L C -0.041 176.833 176.870 0.008 0.000 1.187 67 L CA -0.049 54.796 54.840 0.008 0.000 0.895 67 L CB -0.066 41.987 42.059 -0.010 0.000 1.147 67 L HN 0.252 nan 8.230 nan 0.000 0.483 68 N N 3.623 122.331 118.700 0.013 0.000 2.619 68 N HA 0.376 5.116 4.740 -0.001 0.000 0.294 68 N C 0.491 176.006 175.510 0.008 0.000 1.279 68 N CA -0.789 52.271 53.050 0.018 0.000 0.867 68 N CB 0.394 38.908 38.487 0.046 0.000 1.329 68 N HN 0.489 nan 8.380 nan 0.000 0.557 69 L N -0.999 120.228 121.223 0.007 0.000 2.109 69 L HA 0.094 4.433 4.340 -0.001 0.000 0.207 69 L C 2.301 179.204 176.870 0.056 0.000 1.086 69 L CA 1.480 56.317 54.840 -0.004 0.000 0.760 69 L CB -0.919 41.085 42.059 -0.092 0.000 0.910 69 L HN 0.861 nan 8.230 nan 0.000 0.437 70 G N -0.123 108.736 108.800 0.098 0.000 2.442 70 G HA2 -0.253 3.707 3.960 -0.001 0.000 0.219 70 G HA3 -0.253 3.707 3.960 -0.001 0.000 0.219 70 G C 1.157 176.080 174.900 0.039 0.000 1.141 70 G CA 0.789 45.946 45.100 0.096 0.000 0.763 70 G HN 0.287 nan 8.290 nan 0.000 0.554 71 D N 0.310 120.726 120.400 0.027 0.000 2.097 71 D HA -0.101 4.538 4.640 -0.001 0.000 0.195 71 D C 2.803 179.099 176.300 -0.008 0.000 0.989 71 D CA 0.890 54.895 54.000 0.008 0.000 0.827 71 D CB -0.499 40.306 40.800 0.008 0.000 0.966 71 D HN 0.188 nan 8.370 nan 0.000 0.456 72 V N 0.996 120.903 119.914 -0.012 0.000 2.287 72 V HA -0.229 3.891 4.120 -0.001 0.000 0.248 72 V C 2.712 178.778 176.094 -0.046 0.000 1.053 72 V CA 1.165 63.449 62.300 -0.027 0.000 1.027 72 V CB -0.512 31.293 31.823 -0.031 0.000 0.646 72 V HN 0.056 nan 8.190 nan 0.000 0.447 73 V N 0.975 120.851 119.914 -0.062 0.000 2.407 73 V HA -0.230 3.889 4.120 -0.001 0.000 0.248 73 V C 2.680 178.716 176.094 -0.097 0.000 1.055 73 V CA 2.217 64.438 62.300 -0.131 0.000 1.049 73 V CB -0.865 30.802 31.823 -0.260 0.000 0.662 73 V HN 0.781 nan 8.190 nan 0.000 0.455 74 S N 1.064 116.732 115.700 -0.052 0.000 2.383 74 S HA -0.107 4.362 4.470 -0.001 0.000 0.227 74 S C 2.084 176.665 174.600 -0.032 0.000 1.026 74 S CA 1.250 59.429 58.200 -0.034 0.000 0.981 74 S CB -0.454 62.738 63.200 -0.013 0.000 0.818 74 S HN 0.558 nan 8.310 nan 0.000 0.472 75 A N 2.037 124.839 122.820 -0.030 0.000 1.897 75 A HA 0.419 4.739 4.320 -0.001 0.000 0.215 75 A C 2.527 180.093 177.584 -0.029 0.000 1.181 75 A CA 1.548 53.570 52.037 -0.026 0.000 0.620 75 A CB -1.408 17.579 19.000 -0.021 0.000 0.821 75 A HN 0.823 nan 8.150 nan 0.000 0.443 76 A N -0.583 122.212 122.820 -0.041 0.000 1.873 76 A HA -0.066 4.254 4.320 -0.001 0.000 0.215 76 A C 2.284 179.840 177.584 -0.047 0.000 1.186 76 A CA 1.490 53.501 52.037 -0.044 0.000 0.616 76 A CB -0.281 18.686 19.000 -0.056 0.000 0.823 76 A HN 0.499 nan 8.150 nan 0.000 0.442 77 R N -1.581 118.883 120.500 -0.061 0.000 2.225 77 R HA 0.132 4.472 4.340 -0.001 0.000 0.194 77 R C 0.714 176.992 176.300 -0.038 0.000 0.957 77 R CA 0.444 56.510 56.100 -0.058 0.000 1.042 77 R CB 0.218 30.466 30.300 -0.087 0.000 1.004 77 R HN 0.163 nan 8.270 nan 0.000 0.509 78 K N -0.320 120.060 120.400 -0.034 0.000 2.387 78 K HA 0.223 4.542 4.320 -0.001 0.000 0.203 78 K C 0.630 177.222 176.600 -0.014 0.000 1.030 78 K CA 0.487 56.762 56.287 -0.020 0.000 1.099 78 K CB 1.450 33.939 32.500 -0.018 0.000 0.863 78 K HN 0.313 nan 8.250 nan 0.000 0.529 79 G N 2.548 111.338 108.800 -0.016 0.000 2.153 79 G HA2 -0.342 3.617 3.960 -0.001 0.000 0.252 79 G HA3 -0.342 3.617 3.960 -0.001 0.000 0.252 79 G C 0.099 174.988 174.900 -0.018 0.000 0.994 79 G CA 0.400 45.492 45.100 -0.014 0.000 0.698 79 G HN 0.374 nan 8.290 nan 0.000 0.521 80 R N 0.757 121.245 120.500 -0.018 0.000 2.522 80 R HA 0.354 4.694 4.340 -0.001 0.000 0.284 80 R C -1.968 174.317 176.300 -0.025 0.000 1.032 80 R CA -1.093 54.996 56.100 -0.018 0.000 1.049 80 R CB 0.348 30.640 30.300 -0.015 0.000 0.956 80 R HN 0.106 nan 8.270 nan 0.000 0.422 81 P HA -0.012 nan 4.420 nan 0.000 0.269 81 P C -1.231 176.051 177.300 -0.030 0.000 1.209 81 P CA -0.108 62.968 63.100 -0.040 0.000 0.776 81 P CB 0.805 32.481 31.700 -0.040 0.000 0.876 82 V N 4.130 124.024 119.914 -0.033 0.000 2.686 82 V HA 0.555 4.674 4.120 -0.001 0.000 0.306 82 V C -0.028 176.053 176.094 -0.022 0.000 1.065 82 V CA -0.516 61.771 62.300 -0.022 0.000 0.894 82 V CB 2.102 33.915 31.823 -0.017 0.000 1.004 82 V HN 0.506 nan 8.190 nan 0.000 0.424 83 R N 1.941 122.432 120.500 -0.014 0.000 2.707 83 R HA 0.669 5.008 4.340 -0.001 0.000 0.272 83 R C -1.326 174.971 176.300 -0.006 0.000 1.011 83 R CA -0.813 55.281 56.100 -0.011 0.000 0.893 83 R CB 2.420 32.714 30.300 -0.010 0.000 1.233 83 R HN 0.485 nan 8.270 nan 0.000 0.464 84 V N 2.587 122.499 119.914 -0.004 0.000 2.599 84 V HA -0.014 4.105 4.120 -0.001 0.000 0.300 84 V C 0.518 176.613 176.094 0.002 0.000 1.034 84 V CA 0.010 62.309 62.300 -0.002 0.000 1.115 84 V CB 0.570 32.391 31.823 -0.003 0.000 0.934 84 V HN 0.598 nan 8.190 nan 0.000 0.485 85 K N 3.801 124.204 120.400 0.006 0.000 2.504 85 K HA -0.093 4.227 4.320 -0.001 0.000 0.278 85 K C 0.257 176.862 176.600 0.007 0.000 1.025 85 K CA 0.144 56.436 56.287 0.008 0.000 1.093 85 K CB 0.132 32.641 32.500 0.015 0.000 0.873 85 K HN 0.719 nan 8.250 nan 0.000 0.483 86 D N 3.050 123.453 120.400 0.006 0.000 2.416 86 D HA 0.047 4.687 4.640 -0.001 0.000 0.240 86 D C -1.328 174.975 176.300 0.005 0.000 1.250 86 D CA 0.365 54.368 54.000 0.005 0.000 0.967 86 D CB -0.066 40.737 40.800 0.005 0.000 1.059 86 D HN 0.418 nan 8.370 nan 0.000 0.512 87 S N 2.927 118.630 115.700 0.005 0.000 2.566 87 S HA 0.209 4.679 4.470 -0.001 0.000 0.273 87 S C 0.398 175.000 174.600 0.004 0.000 1.157 87 S CA -0.772 57.431 58.200 0.004 0.000 0.938 87 S CB 1.406 64.609 63.200 0.005 0.000 1.087 87 S HN 0.104 nan 8.310 nan 0.000 0.474 88 D N 2.800 123.202 120.400 0.003 0.000 2.144 88 D HA -0.083 4.556 4.640 -0.001 0.000 0.200 88 D C 1.885 178.186 176.300 0.002 0.000 0.978 88 D CA 1.782 55.784 54.000 0.003 0.000 0.833 88 D CB 0.041 40.842 40.800 0.002 0.000 0.961 88 D HN 0.914 nan 8.370 nan 0.000 0.470 89 E N 0.548 120.748 120.200 -0.001 0.000 2.106 89 E HA -0.146 4.204 4.350 -0.001 0.000 0.192 89 E C 1.948 178.547 176.600 -0.001 0.000 0.984 89 E CA 0.799 57.197 56.400 -0.003 0.000 0.806 89 E CB -0.167 29.527 29.700 -0.010 0.000 0.750 89 E HN 0.127 nan 8.360 nan 0.000 0.458 90 I N 1.298 121.870 120.570 0.003 0.000 2.163 90 I HA -0.178 3.991 4.170 -0.001 0.000 0.240 90 I C 2.671 178.789 176.117 0.002 0.000 1.081 90 I CA 1.312 62.615 61.300 0.006 0.000 1.353 90 I CB -0.986 37.021 38.000 0.011 0.000 1.054 90 I HN 0.204 nan 8.210 nan 0.000 0.407 91 R N 0.353 120.856 120.500 0.003 0.000 2.091 91 R HA -0.176 4.163 4.340 -0.001 0.000 0.238 91 R C 2.560 178.864 176.300 0.006 0.000 1.136 91 R CA 1.843 57.946 56.100 0.004 0.000 0.959 91 R CB -0.415 29.888 30.300 0.006 0.000 0.856 91 R HN 0.294 nan 8.270 nan 0.000 0.437 92 S N 0.666 116.369 115.700 0.006 0.000 2.355 92 S HA -0.134 4.336 4.470 -0.001 0.000 0.222 92 S C 1.802 176.407 174.600 0.008 0.000 1.031 92 S CA 1.185 59.390 58.200 0.009 0.000 0.993 92 S CB 0.030 63.234 63.200 0.007 0.000 0.859 92 S HN 0.203 nan 8.310 nan 0.000 0.453 93 K N 0.362 120.763 120.400 0.001 0.000 2.044 93 K HA -0.103 4.216 4.320 -0.001 0.000 0.210 93 K C 2.052 178.649 176.600 -0.005 0.000 1.049 93 K CA 1.894 58.177 56.287 -0.005 0.000 0.927 93 K CB -0.435 32.054 32.500 -0.018 0.000 0.713 93 K HN 0.473 nan 8.250 nan 0.000 0.443 94 I N 1.226 121.793 120.570 -0.006 0.000 2.179 94 I HA -0.282 3.888 4.170 -0.001 0.000 0.242 94 I C 1.680 177.807 176.117 0.016 0.000 1.088 94 I CA 1.279 62.578 61.300 -0.002 0.000 1.357 94 I CB -0.294 37.703 38.000 -0.004 0.000 1.051 94 I HN 0.122 nan 8.210 nan 0.000 0.409 95 D N 0.954 121.365 120.400 0.018 0.000 2.144 95 D HA -0.142 4.498 4.640 -0.001 0.000 0.200 95 D C 2.159 178.484 176.300 0.041 0.000 0.978 95 D CA 1.121 55.136 54.000 0.026 0.000 0.833 95 D CB -0.181 40.631 40.800 0.021 0.000 0.961 95 D HN 0.273 nan 8.370 nan 0.000 0.470 96 K N 0.539 120.965 120.400 0.043 0.000 2.057 96 K HA -0.077 4.243 4.320 -0.001 0.000 0.206 96 K C 2.268 178.931 176.600 0.104 0.000 1.050 96 K CA 1.299 57.626 56.287 0.067 0.000 0.935 96 K CB -0.066 32.463 32.500 0.048 0.000 0.715 96 K HN 0.147 nan 8.250 nan 0.000 0.439 97 S N 0.760 116.509 115.700 0.082 0.000 2.382 97 S HA -0.113 4.356 4.470 -0.001 0.000 0.228 97 S C 2.171 176.857 174.600 0.143 0.000 1.027 97 S CA 1.180 59.451 58.200 0.118 0.000 0.991 97 S CB -0.679 62.566 63.200 0.076 0.000 0.823 97 S HN 0.004 nan 8.310 nan 0.000 0.469 98 V N 2.356 122.324 119.914 0.090 0.000 2.295 98 V HA -0.141 3.979 4.120 -0.001 0.000 0.246 98 V C 2.926 179.062 176.094 0.069 0.000 1.049 98 V CA 2.254 64.596 62.300 0.070 0.000 1.024 98 V CB -0.980 30.868 31.823 0.042 0.000 0.648 98 V HN 0.539 nan 8.190 nan 0.000 0.447 99 E N 0.269 120.515 120.200 0.076 0.000 2.077 99 E HA -0.248 4.102 4.350 -0.001 0.000 0.193 99 E C 1.912 178.554 176.600 0.071 0.000 0.989 99 E CA 1.625 58.062 56.400 0.061 0.000 0.800 99 E CB -0.501 29.237 29.700 0.063 0.000 0.746 99 E HN 0.516 nan 8.360 nan 0.000 0.452 100 F N 0.462 120.420 119.950 0.013 0.000 2.075 100 F HA -0.145 4.381 4.527 -0.001 0.000 0.297 100 F C 2.070 177.877 175.800 0.012 0.000 1.113 100 F CA 1.736 59.744 58.000 0.013 0.000 1.218 100 F CB -0.603 38.408 39.000 0.018 0.000 0.984 100 F HN 0.202 nan 8.300 nan 0.000 0.472 101 L N 0.740 121.978 121.223 0.025 0.000 2.042 101 L HA -0.192 4.148 4.340 -0.001 0.000 0.210 101 L C 2.720 179.510 176.870 -0.134 0.000 1.076 101 L CA 1.996 56.798 54.840 -0.063 0.000 0.749 101 L CB -0.681 41.419 42.059 0.070 0.000 0.893 101 L HN 0.209 nan 8.230 nan 0.000 0.432 102 R N 0.293 120.745 120.500 -0.080 0.000 2.083 102 R HA -0.097 4.243 4.340 -0.001 0.000 0.237 102 R C 1.379 177.609 176.300 -0.117 0.000 1.137 102 R CA 1.182 57.239 56.100 -0.072 0.000 0.951 102 R CB -0.534 29.747 30.300 -0.033 0.000 0.851 102 R HN 0.564 nan 8.270 nan 0.000 0.434 126 D N 1.730 122.127 120.400 -0.005 0.000 2.144 126 D HA 0.000 4.640 4.640 -0.001 0.000 0.200 126 D C 1.792 178.091 176.300 -0.002 0.000 0.978 126 D CA 1.489 55.487 54.000 -0.004 0.000 0.833 126 D CB 0.032 40.829 40.800 -0.005 0.000 0.961 126 D HN 0.210 nan 8.370 nan 0.000 0.470 127 A N 0.874 123.693 122.820 -0.002 0.000 1.933 127 A HA -0.121 4.198 4.320 -0.001 0.000 0.218 127 A C 2.354 179.939 177.584 0.002 0.000 1.175 127 A CA 0.760 52.798 52.037 0.001 0.000 0.628 127 A CB -0.664 18.336 19.000 -0.000 0.000 0.814 127 A HN 0.158 nan 8.150 nan 0.000 0.444 128 I N -0.363 120.207 120.570 -0.001 0.000 2.179 128 I HA -0.233 3.936 4.170 -0.001 0.000 0.242 128 I C 2.704 178.821 176.117 0.000 0.000 1.088 128 I CA 1.481 62.780 61.300 -0.001 0.000 1.357 128 I CB -0.225 37.772 38.000 -0.005 0.000 1.051 128 I HN 0.229 nan 8.210 nan 0.000 0.409 129 S N 0.681 116.381 115.700 -0.001 0.000 2.368 129 S HA -0.187 4.282 4.470 -0.001 0.000 0.225 129 S C 1.906 176.511 174.600 0.008 0.000 1.030 129 S CA 1.305 59.506 58.200 0.001 0.000 0.999 129 S CB -0.421 62.778 63.200 -0.002 0.000 0.844 129 S HN 0.311 nan 8.310 nan 0.000 0.459 130 L N 2.161 123.389 121.223 0.009 0.000 2.046 130 L HA -0.130 4.209 4.340 -0.001 0.000 0.208 130 L C 2.205 179.090 176.870 0.024 0.000 1.077 130 L CA 1.742 56.591 54.840 0.015 0.000 0.747 130 L CB -0.747 41.320 42.059 0.013 0.000 0.896 130 L HN 0.159 nan 8.230 nan 0.000 0.432 131 Q N 0.125 119.936 119.800 0.018 0.000 2.124 131 Q HA -0.223 4.117 4.340 -0.001 0.000 0.202 131 Q C 2.201 178.216 176.000 0.024 0.000 0.977 131 Q CA 1.723 57.538 55.803 0.019 0.000 0.850 131 Q CB -0.488 28.256 28.738 0.011 0.000 0.901 131 Q HN 0.583 nan 8.270 nan 0.000 0.429 132 K N 0.599 121.013 120.400 0.022 0.000 2.097 132 K HA 0.010 4.329 4.320 -0.001 0.000 0.205 132 K C 2.096 178.725 176.600 0.048 0.000 1.050 132 K CA 1.004 57.309 56.287 0.029 0.000 0.938 132 K CB -0.131 32.375 32.500 0.011 0.000 0.718 132 K HN 0.168 nan 8.250 nan 0.000 0.442 133 A N 1.340 124.190 122.820 0.051 0.000 1.969 133 A HA -0.105 4.214 4.320 -0.001 0.000 0.218 133 A C 2.072 179.755 177.584 0.166 0.000 1.169 133 A CA 1.125 53.210 52.037 0.080 0.000 0.635 133 A CB -0.512 18.516 19.000 0.048 0.000 0.810 133 A HN 0.139 nan 8.150 nan 0.000 0.445 134 L N -0.696 120.603 121.223 0.127 0.000 2.056 134 L HA -0.154 4.186 4.340 -0.001 0.000 0.207 134 L C 2.523 179.394 176.870 0.002 0.000 1.078 134 L CA 1.054 55.987 54.840 0.154 0.000 0.749 134 L CB -0.485 41.620 42.059 0.076 0.000 0.901 134 L HN 0.373 nan 8.230 nan 0.000 0.433 135 L N -0.664 120.546 121.223 -0.022 0.000 2.072 135 L HA -0.178 4.162 4.340 -0.001 0.000 0.205 135 L C 2.574 179.370 176.870 -0.123 0.000 1.079 135 L CA 1.032 55.808 54.840 -0.106 0.000 0.752 135 L CB -0.615 41.413 42.059 -0.053 0.000 0.906 135 L HN 0.349 nan 8.230 nan 0.000 0.436 136 E N 0.536 120.737 120.200 0.001 0.000 2.048 136 E HA -0.325 4.025 4.350 -0.001 0.000 0.202 136 E C 2.142 178.749 176.600 0.011 0.000 1.021 136 E CA 2.123 58.544 56.400 0.036 0.000 0.825 136 E CB -0.204 29.548 29.700 0.086 0.000 0.756 136 E HN 0.674 nan 8.360 nan 0.000 0.454 137 H N -0.955 118.099 119.070 -0.027 0.000 2.495 137 H HA 0.022 4.577 4.556 -0.001 0.000 0.287 137 H C 1.504 176.814 175.328 -0.030 0.000 1.033 137 H CA 0.853 56.888 56.048 -0.022 0.000 1.307 137 H CB 0.093 29.846 29.762 -0.015 0.000 1.401 137 H HN 0.212 nan 8.280 nan 0.000 0.555 138 Q N 0.878 120.376 119.800 -0.504 0.000 2.424 138 Q HA 0.180 4.519 4.340 -0.001 0.000 0.204 138 Q C 1.117 176.982 176.000 -0.225 0.000 0.933 138 Q CA 0.053 55.625 55.803 -0.385 0.000 0.929 138 Q CB 0.520 28.991 28.738 -0.446 0.000 1.037 138 Q HN 0.491 nan 8.270 nan 0.000 0.511 139 L N 1.662 122.705 121.223 -0.300 0.000 2.583 139 L HA 0.094 4.434 4.340 -0.001 0.000 0.239 139 L C 0.649 177.481 176.870 -0.063 0.000 1.347 139 L CA -0.357 54.221 54.840 -0.436 0.000 1.246 139 L CB -0.312 41.398 42.059 -0.583 0.000 1.496 139 L HN 0.180 nan 8.230 nan 0.000 0.413 140 C N -3.102 116.252 119.300 0.090 0.000 3.115 140 C HA 0.553 5.012 4.460 -0.001 0.000 0.277 140 C C 1.042 176.102 174.990 0.117 0.000 1.460 140 C CA -0.654 58.418 59.018 0.090 0.000 1.789 140 C CB -0.932 26.840 27.740 0.054 0.000 2.674 140 C HN 0.493 nan 8.230 nan 0.000 0.582 141 G N 0.664 109.578 108.800 0.189 0.000 2.461 141 G HA2 0.582 4.541 3.960 -0.001 0.000 0.329 141 G HA3 0.582 4.541 3.960 -0.001 0.000 0.329 141 G C -0.883 174.035 174.900 0.029 0.000 1.170 141 G CA -0.289 44.853 45.100 0.070 0.000 0.935 141 G HN 0.241 nan 8.290 nan 0.000 0.492 142 V N 0.928 120.831 119.914 -0.019 0.000 2.432 142 V HA 0.521 4.640 4.120 -0.001 0.000 0.275 142 V C 0.128 176.190 176.094 -0.054 0.000 1.043 142 V CA -0.133 62.155 62.300 -0.020 0.000 0.925 142 V CB 0.720 32.535 31.823 -0.013 0.000 0.985 142 V HN 0.489 nan 8.190 nan 0.000 0.466 143 L N 5.535 126.737 121.223 -0.035 0.000 2.376 143 L HA 0.596 4.935 4.340 -0.001 0.000 0.258 143 L C -2.345 174.522 176.870 -0.006 0.000 1.013 143 L CA -1.903 52.913 54.840 -0.039 0.000 0.822 143 L CB 2.691 44.718 42.059 -0.053 0.000 1.388 143 L HN 0.439 nan 8.230 nan 0.000 0.413 144 P HA 0.059 nan 4.420 nan 0.000 0.268 144 P C 0.350 177.671 177.300 0.035 0.000 1.204 144 P CA -0.176 62.958 63.100 0.055 0.000 0.768 144 P CB 0.902 32.701 31.700 0.165 0.000 0.842 145 S N 0.741 116.460 115.700 0.032 0.000 2.436 145 S HA 0.056 4.526 4.470 -0.001 0.000 0.228 145 S C 0.660 175.242 174.600 -0.030 0.000 1.014 145 S CA 0.379 58.583 58.200 0.008 0.000 0.950 145 S CB -0.114 63.100 63.200 0.022 0.000 0.784 145 S HN 0.459 nan 8.310 nan 0.000 0.504 146 S N -0.343 115.350 115.700 -0.012 0.000 2.607 146 S HA 0.594 5.063 4.470 -0.001 0.000 0.273 146 S C -0.549 174.025 174.600 -0.043 0.000 1.148 146 S CA -0.704 57.453 58.200 -0.072 0.000 0.833 146 S CB 0.889 64.098 63.200 0.015 0.000 1.130 146 S HN 0.122 nan 8.310 nan 0.000 0.470 147 F N 1.689 121.560 119.950 -0.132 0.000 2.546 147 F HA -0.021 4.505 4.527 -0.001 0.000 0.298 147 F C 1.765 177.542 175.800 -0.038 0.000 1.120 147 F CA 0.636 58.441 58.000 -0.325 0.000 1.456 147 F CB -0.478 38.279 39.000 -0.406 0.000 1.088 147 F HN 0.498 nan 8.300 nan 0.000 0.572 148 D N -0.646 119.869 120.400 0.193 0.000 2.263 148 D HA -0.134 4.505 4.640 -0.001 0.000 0.208 148 D C 2.263 178.677 176.300 0.189 0.000 0.971 148 D CA 1.485 55.579 54.000 0.156 0.000 0.867 148 D CB -0.362 40.499 40.800 0.101 0.000 0.929 148 D HN 0.325 nan 8.370 nan 0.000 0.492 149 S N -0.675 115.186 115.700 0.268 0.000 2.528 149 S HA 0.011 4.480 4.470 -0.001 0.000 0.219 149 S C 0.661 175.433 174.600 0.286 0.000 0.985 149 S CA -0.429 57.911 58.200 0.233 0.000 0.914 149 S CB -0.257 63.050 63.200 0.179 0.000 0.776 149 S HN -0.090 nan 8.310 nan 0.000 0.526 150 F N 3.321 123.334 119.950 0.105 0.000 2.529 150 F HA 0.508 5.035 4.527 -0.001 0.000 0.365 150 F C 1.330 177.162 175.800 0.053 0.000 1.102 150 F CA -0.580 57.477 58.000 0.095 0.000 1.271 150 F CB 0.405 39.490 39.000 0.141 0.000 1.120 150 F HN -0.004 nan 8.300 nan 0.000 0.579 151 R N 1.543 122.139 120.500 0.159 0.000 2.950 151 R HA 0.457 4.796 4.340 -0.001 0.000 0.253 151 R C -1.353 174.993 176.300 0.077 0.000 1.168 151 R CA -1.516 54.642 56.100 0.097 0.000 1.014 151 R CB 1.217 31.547 30.300 0.050 0.000 1.228 151 R HN 0.503 nan 8.270 nan 0.000 0.487 152 L N 1.283 122.537 121.223 0.052 0.000 2.513 152 L HA 0.189 4.528 4.340 -0.001 0.000 0.272 152 L C 1.059 177.945 176.870 0.028 0.000 1.187 152 L CA 1.895 56.759 54.840 0.041 0.000 0.895 152 L CB 0.049 42.124 42.059 0.028 0.000 1.147 152 L HN 0.946 nan 8.230 nan 0.000 0.483 153 G N 3.282 112.100 108.800 0.029 0.000 2.162 153 G HA2 -0.228 3.731 3.960 -0.001 0.000 0.260 153 G HA3 -0.228 3.731 3.960 -0.001 0.000 0.260 153 G C 0.356 175.250 174.900 -0.010 0.000 0.976 153 G CA 0.450 45.559 45.100 0.015 0.000 0.655 153 G HN 0.699 nan 8.290 nan 0.000 0.533 154 R N -1.728 118.755 120.500 -0.028 0.000 2.799 154 R HA 0.721 5.060 4.340 -0.001 0.000 0.270 154 R C 0.782 176.943 176.300 -0.231 0.000 1.010 154 R CA 0.012 56.056 56.100 -0.094 0.000 0.916 154 R CB 1.251 31.509 30.300 -0.071 0.000 1.228 154 R HN 1.139 nan 8.270 nan 0.000 0.469 155 G N -0.235 108.330 108.800 -0.392 0.000 2.901 155 G HA2 -0.151 3.809 3.960 -0.001 0.000 0.194 155 G HA3 -0.151 3.809 3.960 -0.001 0.000 0.194 155 G C 0.199 174.583 174.900 -0.859 0.000 1.020 155 G CA -0.389 44.183 45.100 -0.880 0.000 0.787 155 G HN 0.355 nan 8.290 nan 0.000 0.477 156 L N 1.204 122.138 121.223 -0.482 0.000 2.872 156 L HA 0.350 4.690 4.340 -0.001 0.000 0.245 156 L C 1.839 178.625 176.870 -0.139 0.000 1.211 156 L CA -0.061 54.639 54.840 -0.232 0.000 1.013 156 L CB 0.575 42.588 42.059 -0.077 0.000 1.326 156 L HN 0.123 nan 8.230 nan 0.000 0.525 157 E N 0.306 120.418 120.200 -0.147 0.000 2.171 157 E HA -0.186 4.163 4.350 -0.001 0.000 0.197 157 E C 1.254 177.805 176.600 -0.081 0.000 0.997 157 E CA 1.054 57.396 56.400 -0.096 0.000 0.810 157 E CB -0.017 29.630 29.700 -0.088 0.000 0.738 157 E HN 0.317 nan 8.360 nan 0.000 0.467 158 N N 0.302 118.948 118.700 -0.089 0.000 2.370 158 N HA 0.008 4.748 4.740 -0.001 0.000 0.198 158 N C -0.564 174.893 175.510 -0.087 0.000 1.156 158 N CA 0.255 53.259 53.050 -0.077 0.000 0.839 158 N CB 0.296 38.741 38.487 -0.069 0.000 0.989 158 N HN 0.100 nan 8.380 nan 0.000 0.468 159 S N -0.735 114.914 115.700 -0.085 0.000 2.578 159 S HA 0.507 4.977 4.470 -0.001 0.000 0.301 159 S C 0.049 174.602 174.600 -0.079 0.000 1.091 159 S CA -0.891 57.255 58.200 -0.091 0.000 1.032 159 S CB 1.784 64.943 63.200 -0.069 0.000 1.064 159 S HN 0.036 nan 8.310 nan 0.000 0.508 160 L N 2.054 123.226 121.223 -0.085 0.000 2.456 160 L HA 0.298 4.637 4.340 -0.001 0.000 0.272 160 L C -2.075 174.759 176.870 -0.060 0.000 1.189 160 L CA -1.742 53.058 54.840 -0.066 0.000 0.846 160 L CB 0.055 42.076 42.059 -0.063 0.000 1.111 160 L HN 0.511 nan 8.230 nan 0.000 0.475 161 P HA -0.017 nan 4.420 nan 0.000 0.266 161 P C 0.734 177.994 177.300 -0.066 0.000 1.195 161 P CA -0.009 63.056 63.100 -0.058 0.000 0.768 161 P CB 0.536 32.208 31.700 -0.047 0.000 0.838 162 L N 2.359 123.526 121.223 -0.094 0.000 2.079 162 L HA -0.230 4.110 4.340 -0.001 0.000 0.210 162 L C 2.322 179.154 176.870 -0.064 0.000 1.081 162 L CA 1.725 56.501 54.840 -0.106 0.000 0.752 162 L CB -0.847 41.090 42.059 -0.202 0.000 0.896 162 L HN 0.538 nan 8.230 nan 0.000 0.433 163 E N 0.057 120.221 120.200 -0.061 0.000 2.110 163 E HA -0.181 4.168 4.350 -0.001 0.000 0.193 163 E C 2.099 178.675 176.600 -0.040 0.000 0.988 163 E CA 1.534 57.905 56.400 -0.049 0.000 0.804 163 E CB -0.498 29.170 29.700 -0.054 0.000 0.745 163 E HN 0.280 nan 8.360 nan 0.000 0.458 164 V N 1.474 121.366 119.914 -0.038 0.000 2.343 164 V HA -0.222 3.897 4.120 -0.001 0.000 0.247 164 V C 2.479 178.562 176.094 -0.018 0.000 1.051 164 V CA 1.485 63.767 62.300 -0.029 0.000 1.036 164 V CB -0.149 31.657 31.823 -0.029 0.000 0.654 164 V HN 0.221 nan 8.190 nan 0.000 0.451 165 V N -0.214 119.691 119.914 -0.016 0.000 2.427 165 V HA -0.224 3.895 4.120 -0.001 0.000 0.248 165 V C 2.559 178.663 176.094 0.016 0.000 1.051 165 V CA 1.908 64.211 62.300 0.005 0.000 1.048 165 V CB -0.779 31.052 31.823 0.013 0.000 0.666 165 V HN 0.460 nan 8.190 nan 0.000 0.456 166 R N 0.204 120.707 120.500 0.006 0.000 2.075 166 R HA -0.078 4.261 4.340 -0.001 0.000 0.232 166 R C 2.514 178.814 176.300 0.000 0.000 1.126 166 R CA 1.427 57.533 56.100 0.011 0.000 0.963 166 R CB -0.842 29.458 30.300 -0.001 0.000 0.858 166 R HN 0.580 nan 8.270 nan 0.000 0.435 167 G N 1.128 109.920 108.800 -0.013 0.000 2.442 167 G HA2 -0.162 3.797 3.960 -0.001 0.000 0.219 167 G HA3 -0.162 3.797 3.960 -0.001 0.000 0.219 167 G C 0.694 175.587 174.900 -0.011 0.000 1.141 167 G CA 0.760 45.848 45.100 -0.019 0.000 0.763 167 G HN 0.444 nan 8.290 nan 0.000 0.554 171 I N 1.699 122.260 120.570 -0.016 0.000 2.252 171 I HA -0.113 4.057 4.170 -0.001 0.000 0.245 171 I C 2.659 178.764 176.117 -0.020 0.000 1.102 171 I CA 1.476 62.764 61.300 -0.021 0.000 1.385 171 I CB -0.193 37.795 38.000 -0.020 0.000 1.064 171 I HN 0.102 nan 8.210 nan 0.000 0.414 172 R N 1.140 121.633 120.500 -0.013 0.000 2.096 172 R HA -0.160 4.179 4.340 -0.001 0.000 0.240 172 R C 2.083 178.372 176.300 -0.018 0.000 1.139 172 R CA 1.913 58.007 56.100 -0.011 0.000 0.952 172 R CB -0.922 29.373 30.300 -0.007 0.000 0.854 172 R HN 0.152 nan 8.270 nan 0.000 0.436 173 V N 1.218 121.120 119.914 -0.020 0.000 2.295 173 V HA -0.245 3.874 4.120 -0.001 0.000 0.246 173 V C 2.125 178.201 176.094 -0.030 0.000 1.049 173 V CA 2.209 64.495 62.300 -0.024 0.000 1.024 173 V CB -0.896 30.915 31.823 -0.020 0.000 0.648 173 V HN 0.504 nan 8.190 nan 0.000 0.447 174 N N 0.846 119.526 118.700 -0.033 0.000 2.069 174 N HA -0.204 4.536 4.740 -0.001 0.000 0.191 174 N C 1.987 177.454 175.510 -0.070 0.000 1.031 174 N CA 1.964 54.986 53.050 -0.047 0.000 0.852 174 N CB -0.296 38.162 38.487 -0.048 0.000 1.018 174 N HN 0.570 nan 8.380 nan 0.000 0.423 175 S N -0.560 115.106 115.700 -0.058 0.000 2.442 175 S HA -0.068 4.401 4.470 -0.001 0.000 0.236 175 S C 1.772 176.342 174.600 -0.050 0.000 1.007 175 S CA 0.783 58.948 58.200 -0.058 0.000 0.965 175 S CB -0.431 62.752 63.200 -0.029 0.000 0.773 175 S HN 0.380 nan 8.310 nan 0.000 0.504 176 L N 1.657 122.855 121.223 -0.042 0.000 2.554 176 L HA 0.134 4.474 4.340 -0.001 0.000 0.225 176 L C 2.558 179.396 176.870 -0.054 0.000 1.104 176 L CA 0.910 55.729 54.840 -0.035 0.000 0.866 176 L CB -0.477 41.571 42.059 -0.019 0.000 1.047 176 L HN 0.520 nan 8.230 nan 0.000 0.468 177 T N -3.532 110.984 114.554 -0.062 0.000 3.118 177 T HA -0.055 4.294 4.350 -0.001 0.000 0.260 177 T C 1.739 176.386 174.700 -0.088 0.000 1.139 177 T CA 0.309 62.375 62.100 -0.055 0.000 1.085 177 T CB -0.148 68.701 68.868 -0.033 0.000 0.934 177 T HN 0.248 nan 8.240 nan 0.000 0.518 178 R N 0.599 120.998 120.500 -0.168 0.000 2.276 178 R HA 0.312 4.652 4.340 -0.001 0.000 0.203 178 R C 1.901 177.893 176.300 -0.514 0.000 1.017 178 R CA 0.510 56.426 56.100 -0.308 0.000 1.010 178 R CB -0.168 29.900 30.300 -0.386 0.000 0.900 178 R HN 0.553 nan 8.270 nan 0.000 0.469 179 G N 0.348 108.958 108.800 -0.317 0.000 2.141 179 G HA2 -0.296 3.663 3.960 -0.001 0.000 0.242 179 G HA3 -0.296 3.663 3.960 -0.001 0.000 0.242 179 G C 0.200 175.009 174.900 -0.152 0.000 0.982 179 G CA 0.356 45.327 45.100 -0.216 0.000 0.662 179 G HN 0.586 nan 8.290 nan 0.000 0.527 180 H N -0.536 118.541 119.070 0.012 0.000 2.586 180 H HA 0.402 4.957 4.556 -0.001 0.000 0.273 180 H C 2.030 177.370 175.328 0.020 0.000 0.997 180 H CA 0.663 56.717 56.048 0.009 0.000 1.177 180 H CB 0.790 30.549 29.762 -0.004 0.000 1.471 180 H HN 0.361 nan 8.280 nan 0.000 0.538 181 S N -0.079 115.685 115.700 0.106 0.000 2.549 181 S HA 0.315 4.785 4.470 -0.001 0.000 0.225 181 S C 1.292 175.932 174.600 0.067 0.000 1.039 181 S CA 0.290 58.538 58.200 0.081 0.000 0.942 181 S CB 1.095 64.329 63.200 0.057 0.000 0.881 181 S HN 0.486 nan 8.310 nan 0.000 0.503 182 A N 1.171 124.029 122.820 0.064 0.000 2.869 182 A HA -0.133 4.186 4.320 -0.001 0.000 0.280 182 A C 0.154 177.762 177.584 0.039 0.000 1.458 182 A CA 0.444 52.519 52.037 0.062 0.000 0.776 182 A CB -2.291 16.760 19.000 0.084 0.000 1.028 182 A HN 0.364 nan 8.150 nan 0.000 0.547 183 V N 1.132 121.061 119.914 0.026 0.000 2.394 183 V HA 0.348 4.467 4.120 -0.001 0.000 0.282 183 V C 1.178 177.277 176.094 0.008 0.000 1.031 183 V CA -0.587 61.721 62.300 0.013 0.000 0.881 183 V CB 1.373 33.200 31.823 0.006 0.000 0.982 183 V HN 0.610 nan 8.190 nan 0.000 0.451 184 R N 2.376 122.880 120.500 0.006 0.000 2.679 184 R HA 0.062 4.401 4.340 -0.001 0.000 0.268 184 R C 1.203 177.502 176.300 -0.001 0.000 1.044 184 R CA -0.496 55.607 56.100 0.005 0.000 1.105 184 R CB 0.255 30.558 30.300 0.004 0.000 0.989 184 R HN 0.616 nan 8.270 nan 0.000 0.447 185 L N 3.995 125.218 121.223 0.001 0.000 2.043 185 L HA -0.187 4.153 4.340 -0.001 0.000 0.212 185 L C 2.030 178.899 176.870 -0.003 0.000 1.075 185 L CA 1.655 56.494 54.840 -0.001 0.000 0.752 185 L CB -0.483 41.578 42.059 0.003 0.000 0.891 185 L HN 0.608 nan 8.230 nan 0.000 0.432 186 V N -1.317 118.597 119.914 -0.000 0.000 2.490 186 V HA -0.237 3.883 4.120 -0.001 0.000 0.250 186 V C 2.385 178.471 176.094 -0.012 0.000 1.061 186 V CA 1.861 64.161 62.300 0.000 0.000 1.064 186 V CB -0.070 31.756 31.823 0.005 0.000 0.670 186 V HN 0.349 nan 8.190 nan 0.000 0.461 187 V N 0.097 120.000 119.914 -0.019 0.000 2.358 187 V HA -0.223 3.897 4.120 -0.001 0.000 0.246 187 V C 2.377 178.442 176.094 -0.049 0.000 1.047 187 V CA 2.234 64.512 62.300 -0.038 0.000 1.035 187 V CB -0.554 31.250 31.823 -0.032 0.000 0.658 187 V HN 0.505 nan 8.190 nan 0.000 0.452 188 L N -0.254 120.950 121.223 -0.032 0.000 2.083 188 L HA -0.200 4.140 4.340 -0.001 0.000 0.209 188 L C 2.510 179.363 176.870 -0.028 0.000 1.083 188 L CA 1.733 56.554 54.840 -0.031 0.000 0.752 188 L CB -0.753 41.294 42.059 -0.020 0.000 0.899 188 L HN 0.398 nan 8.230 nan 0.000 0.433 189 E N 0.291 120.481 120.200 -0.017 0.000 2.204 189 E HA -0.152 4.197 4.350 -0.001 0.000 0.194 189 E C 2.302 178.902 176.600 -0.001 0.000 0.989 189 E CA 0.901 57.300 56.400 -0.001 0.000 0.824 189 E CB -0.083 29.624 29.700 0.011 0.000 0.756 189 E HN 0.491 nan 8.360 nan 0.000 0.477 190 A N 0.960 123.757 122.820 -0.038 0.000 1.930 190 A HA -0.135 4.184 4.320 -0.001 0.000 0.217 190 A C 2.118 179.599 177.584 -0.171 0.000 1.175 190 A CA 0.941 52.925 52.037 -0.088 0.000 0.627 190 A CB -0.421 18.490 19.000 -0.148 0.000 0.815 190 A HN 0.126 nan 8.150 nan 0.000 0.443 191 L N -0.237 120.896 121.223 -0.150 0.000 2.072 191 L HA -0.130 4.210 4.340 -0.001 0.000 0.205 191 L C 3.025 179.903 176.870 0.013 0.000 1.079 191 L CA 1.743 56.514 54.840 -0.115 0.000 0.752 191 L CB -0.889 41.120 42.059 -0.084 0.000 0.906 191 L HN 0.622 nan 8.230 nan 0.000 0.436 192 T N -3.328 111.232 114.554 0.009 0.000 2.867 192 T HA -0.125 4.225 4.350 -0.001 0.000 0.268 192 T C 1.741 176.464 174.700 0.040 0.000 1.057 192 T CA 1.242 63.353 62.100 0.019 0.000 1.136 192 T CB -0.391 68.476 68.868 -0.001 0.000 0.874 192 T HN 0.188 nan 8.240 nan 0.000 0.466 193 N N 0.840 119.594 118.700 0.090 0.000 2.166 193 N HA 0.019 4.759 4.740 -0.001 0.000 0.186 193 N C 1.407 177.085 175.510 0.281 0.000 1.019 193 N CA 0.842 53.993 53.050 0.169 0.000 0.856 193 N CB -0.609 38.032 38.487 0.255 0.000 0.993 193 N HN 0.340 nan 8.380 nan 0.000 0.426 194 F N 1.323 121.284 119.950 0.019 0.000 2.102 194 F HA 0.008 4.534 4.527 -0.001 0.000 0.298 194 F C 2.244 178.027 175.800 -0.028 0.000 1.105 194 F CA 0.443 58.450 58.000 0.011 0.000 1.239 194 F CB -0.870 38.146 39.000 0.026 0.000 0.991 194 F HN -0.030 nan 8.300 nan 0.000 0.474 195 L N -0.281 121.035 121.223 0.156 0.000 2.017 195 L HA -0.268 4.072 4.340 -0.001 0.000 0.208 195 L C 2.096 178.940 176.870 -0.044 0.000 1.073 195 L CA 1.391 56.258 54.840 0.045 0.000 0.745 195 L CB -0.640 41.435 42.059 0.027 0.000 0.894 195 L HN 0.094 nan 8.230 nan 0.000 0.432 196 N N -1.527 117.105 118.700 -0.113 0.000 2.409 196 N HA -0.109 4.631 4.740 -0.001 0.000 0.179 196 N C 1.476 176.742 175.510 -0.406 0.000 1.032 196 N CA 0.867 53.769 53.050 -0.247 0.000 0.898 196 N CB -0.164 38.146 38.487 -0.296 0.000 0.971 196 N HN 0.394 nan 8.380 nan 0.000 0.441 197 H N -0.494 118.434 119.070 -0.236 0.000 2.551 197 H HA 0.237 4.793 4.556 -0.001 0.000 0.271 197 H C 0.869 175.946 175.328 -0.418 0.000 0.984 197 H CA 0.458 56.194 56.048 -0.519 0.000 1.164 197 H CB 0.207 29.358 29.762 -1.018 0.000 1.437 197 H HN 0.190 nan 8.280 nan 0.000 0.550 198 G N 1.721 110.446 108.800 -0.125 0.000 2.221 198 G HA2 -0.269 3.690 3.960 -0.001 0.000 0.265 198 G HA3 -0.269 3.690 3.960 -0.001 0.000 0.265 198 G C 0.088 174.964 174.900 -0.040 0.000 1.041 198 G CA 0.069 45.143 45.100 -0.043 0.000 0.807 198 G HN 0.366 nan 8.290 nan 0.000 0.502 199 I N 1.389 121.878 120.570 -0.136 0.000 2.312 199 I HA 0.355 4.524 4.170 -0.001 0.000 0.290 199 I C 0.121 176.183 176.117 -0.091 0.000 1.008 199 I CA -0.261 60.895 61.300 -0.239 0.000 1.226 199 I CB 1.519 39.063 38.000 -0.761 0.000 1.371 199 I HN 0.029 nan 8.210 nan 0.000 0.468 200 T N 7.181 121.758 114.554 0.038 0.000 2.833 200 T HA 0.325 4.674 4.350 -0.001 0.000 0.297 200 T C -2.474 172.300 174.700 0.124 0.000 1.015 200 T CA -1.489 60.673 62.100 0.103 0.000 0.963 200 T CB 1.384 70.294 68.868 0.069 0.000 0.955 200 T HN 0.204 nan 8.240 nan 0.000 0.449 201 P HA 0.074 nan 4.420 nan 0.000 0.265 201 P C -0.230 177.128 177.300 0.096 0.000 1.187 201 P CA -0.365 62.836 63.100 0.168 0.000 0.766 201 P CB 0.350 32.174 31.700 0.206 0.000 0.820 202 I N 4.092 124.709 120.570 0.080 0.000 2.396 202 I HA 0.117 4.286 4.170 -0.001 0.000 0.289 202 I C 0.217 176.295 176.117 -0.065 0.000 1.056 202 I CA 0.056 61.366 61.300 0.017 0.000 1.365 202 I CB 0.084 38.096 38.000 0.020 0.000 1.407 202 I HN 0.042 nan 8.210 nan 0.000 0.509 203 V N 8.848 128.672 119.914 -0.150 0.000 2.638 203 V HA 0.369 4.488 4.120 -0.001 0.000 0.306 203 V C -2.322 173.555 176.094 -0.360 0.000 1.052 203 V CA -1.946 60.150 62.300 -0.340 0.000 0.885 203 V CB 2.224 33.950 31.823 -0.162 0.000 0.999 203 V HN 0.546 nan 8.190 nan 0.000 0.424 204 P HA 0.075 nan 4.420 nan 0.000 0.266 204 P C 0.607 177.793 177.300 -0.191 0.000 1.195 204 P CA -0.104 62.804 63.100 -0.320 0.000 0.768 204 P CB 0.734 32.228 31.700 -0.343 0.000 0.838 205 L N 3.284 124.432 121.223 -0.126 0.000 2.056 205 L HA -0.036 4.304 4.340 -0.001 0.000 0.207 205 L C 0.807 177.640 176.870 -0.062 0.000 1.078 205 L CA 1.839 56.629 54.840 -0.083 0.000 0.749 205 L CB -0.240 41.780 42.059 -0.065 0.000 0.901 205 L HN 0.296 nan 8.230 nan 0.000 0.433 206 R N -2.172 118.292 120.500 -0.059 0.000 2.832 206 R HA 0.593 4.933 4.340 -0.001 0.000 0.271 206 R C 0.334 176.618 176.300 -0.027 0.000 0.996 206 R CA -0.051 56.028 56.100 -0.035 0.000 0.977 206 R CB 1.352 31.636 30.300 -0.027 0.000 1.168 206 R HN 0.115 nan 8.270 nan 0.000 0.482 207 G N 0.149 108.944 108.800 -0.008 0.000 2.551 207 G HA2 -0.216 3.744 3.960 -0.001 0.000 0.186 207 G HA3 -0.216 3.744 3.960 -0.001 0.000 0.186 207 G C 0.080 174.989 174.900 0.015 0.000 1.002 207 G CA -0.098 45.007 45.100 0.008 0.000 0.723 207 G HN 0.583 nan 8.290 nan 0.000 0.481 208 T N 1.148 115.709 114.554 0.011 0.000 2.882 208 T HA 0.570 4.919 4.350 -0.001 0.000 0.287 208 T C 1.758 176.470 174.700 0.020 0.000 0.992 208 T CA -0.030 62.080 62.100 0.017 0.000 1.076 208 T CB 0.703 69.580 68.868 0.016 0.000 0.961 208 T HN 0.809 nan 8.240 nan 0.000 0.490 209 I N 1.161 121.746 120.570 0.025 0.000 3.883 209 I HA 0.317 4.487 4.170 -0.001 0.000 0.326 209 I C 0.540 176.683 176.117 0.043 0.000 1.283 209 I CA -0.475 60.845 61.300 0.033 0.000 1.161 209 I CB -0.138 37.883 38.000 0.036 0.000 1.012 209 I HN 0.603 nan 8.210 nan 0.000 0.421 210 S N 1.178 116.903 115.700 0.042 0.000 3.706 210 S HA -0.134 4.336 4.470 -0.001 0.000 0.363 210 S C 0.388 175.044 174.600 0.092 0.000 0.999 210 S CA 0.663 58.897 58.200 0.056 0.000 1.143 210 S CB -1.809 61.420 63.200 0.047 0.000 0.902 210 S HN 0.941 nan 8.310 nan 0.000 0.476 211 A N 1.208 124.087 122.820 0.099 0.000 3.671 211 A HA 0.930 5.250 4.320 -0.001 0.000 0.178 211 A C 1.577 179.214 177.584 0.089 0.000 0.921 211 A CA 0.463 52.614 52.037 0.189 0.000 1.117 211 A CB -1.000 18.097 19.000 0.163 0.000 1.632 211 A HN 1.490 nan 8.150 nan 0.000 0.722 212 S N -0.752 114.787 115.700 -0.269 0.000 2.621 212 S HA 0.270 4.739 4.470 -0.001 0.000 0.288 212 S C 2.087 176.554 174.600 -0.222 0.000 0.976 212 S CA 1.861 59.492 58.200 -0.947 0.000 0.978 212 S CB -1.750 60.937 63.200 -0.856 0.000 0.743 212 S HN 2.616 nan 8.310 nan 0.000 0.536 213 G N 0.289 109.141 108.800 0.085 0.000 2.528 213 G HA2 -0.213 3.747 3.960 -0.001 0.000 0.262 213 G HA3 -0.213 3.747 3.960 -0.001 0.000 0.262 213 G C -0.387 174.539 174.900 0.044 0.000 1.200 213 G CA 0.037 45.209 45.100 0.120 0.000 0.951 213 G HN 0.483 nan 8.290 nan 0.000 0.566 214 D N 1.757 122.181 120.400 0.041 0.000 2.994 214 D HA 0.327 4.967 4.640 -0.001 0.000 0.240 214 D C 2.086 178.394 176.300 0.013 0.000 1.195 214 D CA -0.044 53.972 54.000 0.026 0.000 0.957 214 D CB 0.005 40.822 40.800 0.028 0.000 1.105 214 D HN 0.392 nan 8.370 nan 0.000 0.477 215 L N -0.127 121.091 121.223 -0.007 0.000 1.989 215 L HA -0.230 4.109 4.340 -0.001 0.000 0.211 215 L C 2.507 179.365 176.870 -0.020 0.000 1.071 215 L CA 1.117 55.937 54.840 -0.033 0.000 0.749 215 L CB -0.485 41.538 42.059 -0.061 0.000 0.890 215 L HN 0.155 nan 8.230 nan 0.000 0.431 216 S N -0.248 115.456 115.700 0.008 0.000 2.351 216 S HA -0.081 4.388 4.470 -0.001 0.000 0.220 216 S C -0.359 174.352 174.600 0.185 0.000 1.035 216 S CA 1.760 60.003 58.200 0.072 0.000 1.031 216 S CB -1.013 62.245 63.200 0.096 0.000 0.928 216 S HN 0.198 nan 8.310 nan 0.000 0.433 217 P HA -0.060 nan 4.420 nan 0.000 0.215 217 P C 1.521 178.899 177.300 0.131 0.000 1.153 217 P CA 1.063 64.236 63.100 0.122 0.000 0.853 217 P CB -0.270 31.448 31.700 0.030 0.000 0.788 218 L N -0.674 120.590 121.223 0.069 0.000 2.191 218 L HA -0.123 4.217 4.340 -0.001 0.000 0.212 218 L C 2.562 179.448 176.870 0.027 0.000 1.103 218 L CA 1.285 56.150 54.840 0.041 0.000 0.769 218 L CB -0.935 41.134 42.059 0.017 0.000 0.908 218 L HN -0.008 nan 8.230 nan 0.000 0.438 219 S N -1.191 114.514 115.700 0.009 0.000 2.382 219 S HA -0.174 4.296 4.470 -0.001 0.000 0.228 219 S C 1.846 176.371 174.600 -0.124 0.000 1.027 219 S CA 1.102 59.250 58.200 -0.087 0.000 0.991 219 S CB -0.308 62.785 63.200 -0.180 0.000 0.823 219 S HN 0.345 nan 8.310 nan 0.000 0.469 220 Y N 1.491 121.758 120.300 -0.054 0.000 2.224 220 Y HA -0.052 4.497 4.550 -0.001 0.000 0.289 220 Y C 2.072 177.968 175.900 -0.007 0.000 1.146 220 Y CA 0.869 58.945 58.100 -0.040 0.000 1.182 220 Y CB -0.411 38.031 38.460 -0.031 0.000 0.983 220 Y HN 0.220 nan 8.280 nan 0.000 0.524 221 I N -0.837 119.815 120.570 0.136 0.000 2.202 221 I HA -0.307 3.862 4.170 -0.001 0.000 0.242 221 I C 2.577 178.698 176.117 0.006 0.000 1.091 221 I CA 1.095 62.444 61.300 0.082 0.000 1.368 221 I CB -0.603 37.431 38.000 0.057 0.000 1.058 221 I HN 0.177 nan 8.210 nan 0.000 0.410 222 A N 0.774 123.583 122.820 -0.018 0.000 1.902 222 A HA -0.188 4.132 4.320 -0.001 0.000 0.217 222 A C 2.521 180.086 177.584 -0.032 0.000 1.181 222 A CA 1.941 53.951 52.037 -0.044 0.000 0.623 222 A CB -0.840 18.135 19.000 -0.043 0.000 0.818 222 A HN 0.439 nan 8.150 nan 0.000 0.443 223 A N -0.273 122.527 122.820 -0.034 0.000 1.930 223 A HA 0.199 4.518 4.320 -0.001 0.000 0.217 223 A C 2.482 180.115 177.584 0.081 0.000 1.175 223 A CA 1.957 53.995 52.037 0.002 0.000 0.627 223 A CB -0.932 17.982 19.000 -0.144 0.000 0.815 223 A HN 1.012 nan 8.150 nan 0.000 0.443 224 A N 0.860 123.739 122.820 0.097 0.000 1.858 224 A HA -0.108 4.211 4.320 -0.001 0.000 0.216 224 A C 2.103 179.783 177.584 0.160 0.000 1.190 224 A CA 1.608 53.774 52.037 0.215 0.000 0.617 224 A CB -0.843 18.364 19.000 0.345 0.000 0.827 224 A HN 0.976 nan 8.150 nan 0.000 0.443 225 I N -1.617 118.882 120.570 -0.119 0.000 2.830 225 I HA -0.058 4.111 4.170 -0.001 0.000 0.263 225 I C 1.693 177.761 176.117 -0.081 0.000 1.230 225 I CA 1.565 62.668 61.300 -0.329 0.000 1.480 225 I CB -0.212 37.478 38.000 -0.516 0.000 1.095 225 I HN 0.262 nan 8.210 nan 0.000 0.455 226 S N 0.457 116.152 115.700 -0.009 0.000 2.577 226 S HA 0.423 4.892 4.470 -0.001 0.000 0.219 226 S C 1.502 176.145 174.600 0.071 0.000 0.962 226 S CA 0.086 58.302 58.200 0.025 0.000 0.921 226 S CB 0.036 63.245 63.200 0.014 0.000 0.789 226 S HN 0.797 nan 8.310 nan 0.000 0.497 227 G N 2.207 111.080 108.800 0.122 0.000 2.198 227 G HA2 -0.291 3.669 3.960 -0.001 0.000 0.257 227 G HA3 -0.291 3.669 3.960 -0.001 0.000 0.257 227 G C -0.052 174.928 174.900 0.134 0.000 1.042 227 G CA 0.133 45.316 45.100 0.138 0.000 0.791 227 G HN 0.787 nan 8.290 nan 0.000 0.502 228 H N 0.917 120.020 119.070 0.054 0.000 3.064 228 H HA 0.105 4.661 4.556 -0.001 0.000 0.329 228 H C -0.820 174.544 175.328 0.060 0.000 1.020 228 H CA -0.288 55.781 56.048 0.035 0.000 1.402 228 H CB 1.065 30.833 29.762 0.011 0.000 1.379 228 H HN 0.128 nan 8.280 nan 0.000 0.594 229 P HA -0.101 nan 4.420 nan 0.000 0.221 229 P C 0.550 177.985 177.300 0.224 0.000 1.145 229 P CA 1.363 64.491 63.100 0.047 0.000 0.795 229 P CB 0.330 31.969 31.700 -0.101 0.000 0.775 230 D N -1.557 119.156 120.400 0.521 0.000 2.462 230 D HA 0.066 4.706 4.640 -0.001 0.000 0.221 230 D C -0.271 176.208 176.300 0.299 0.000 1.173 230 D CA -0.117 54.135 54.000 0.419 0.000 0.831 230 D CB -0.180 40.801 40.800 0.301 0.000 1.001 230 D HN -0.138 nan 8.370 nan 0.000 0.499 231 S N 0.161 116.053 115.700 0.319 0.000 2.499 231 S HA 0.492 4.961 4.470 -0.001 0.000 0.279 231 S C -0.239 174.458 174.600 0.161 0.000 1.219 231 S CA -0.506 57.807 58.200 0.190 0.000 1.062 231 S CB 0.566 63.877 63.200 0.184 0.000 0.978 231 S HN -0.019 nan 8.310 nan 0.000 0.489 232 K N 2.473 122.911 120.400 0.063 0.000 2.203 232 K HA 0.701 5.021 4.320 -0.001 0.000 0.251 232 K C -0.735 175.888 176.600 0.037 0.000 0.944 232 K CA -0.771 55.484 56.287 -0.053 0.000 0.829 232 K CB 1.978 34.371 32.500 -0.179 0.000 1.125 232 K HN 0.522 nan 8.250 nan 0.000 0.430 233 V N -1.725 118.200 119.914 0.019 0.000 3.007 233 V HA 0.519 4.639 4.120 -0.001 0.000 0.311 233 V C -1.032 175.103 176.094 0.068 0.000 1.120 233 V CA -0.806 61.528 62.300 0.058 0.000 0.980 233 V CB 1.870 33.703 31.823 0.016 0.000 1.033 233 V HN 0.884 nan 8.190 nan 0.000 0.429 234 H N 3.034 122.106 119.070 0.004 0.000 2.467 234 H HA 0.819 5.375 4.556 -0.001 0.000 0.326 234 H C -0.962 174.373 175.328 0.011 0.000 1.094 234 H CA 0.226 56.289 56.048 0.025 0.000 1.253 234 H CB 1.847 31.634 29.762 0.042 0.000 1.439 234 H HN 1.053 nan 8.280 nan 0.000 0.479 235 V N 2.363 122.088 119.914 -0.315 0.000 3.114 235 V HA 0.473 4.593 4.120 -0.001 0.000 0.308 235 V C -1.052 174.903 176.094 -0.231 0.000 1.168 235 V CA -0.972 61.249 62.300 -0.132 0.000 1.015 235 V CB 1.646 33.486 31.823 0.028 0.000 1.050 235 V HN 0.433 nan 8.190 nan 0.000 0.433 236 V N 3.787 123.690 119.914 -0.020 0.000 2.364 236 V HA 0.497 4.617 4.120 -0.001 0.000 0.272 236 V C -0.199 175.974 176.094 0.132 0.000 1.036 236 V CA -0.082 62.232 62.300 0.024 0.000 0.880 236 V CB 0.557 32.419 31.823 0.064 0.000 0.991 236 V HN 1.106 nan 8.190 nan 0.000 0.460 237 H N 4.593 123.655 119.070 -0.014 0.000 2.667 237 H HA 0.306 4.861 4.556 -0.001 0.000 0.353 237 H C -0.006 175.309 175.328 -0.021 0.000 1.072 237 H CA -0.423 55.621 56.048 -0.008 0.000 1.214 237 H CB 1.436 31.174 29.762 -0.040 0.000 1.600 237 H HN 0.857 nan 8.280 nan 0.000 0.527 238 E N 3.050 122.981 120.200 -0.447 0.000 2.269 238 E HA -0.239 4.110 4.350 -0.001 0.000 0.223 238 E C 0.844 177.364 176.600 -0.133 0.000 1.244 238 E CA 0.697 56.904 56.400 -0.321 0.000 0.713 238 E CB -1.399 28.068 29.700 -0.387 0.000 1.178 238 E HN 1.109 nan 8.360 nan 0.000 0.370 239 G N 0.508 109.263 108.800 -0.075 0.000 2.175 239 G HA2 -0.404 3.556 3.960 -0.001 0.000 0.265 239 G HA3 -0.404 3.556 3.960 -0.001 0.000 0.265 239 G C 0.142 175.030 174.900 -0.019 0.000 0.979 239 G CA 1.225 46.305 45.100 -0.033 0.000 0.663 239 G HN 0.523 nan 8.290 nan 0.000 0.533 240 K N -0.119 120.270 120.400 -0.019 0.000 2.426 240 K HA 0.647 4.967 4.320 -0.001 0.000 0.251 240 K C -0.571 176.017 176.600 -0.020 0.000 0.941 240 K CA -1.052 55.226 56.287 -0.014 0.000 0.808 240 K CB 2.110 34.594 32.500 -0.026 0.000 1.265 240 K HN 0.150 nan 8.250 nan 0.000 0.432 241 E N 1.931 122.116 120.200 -0.026 0.000 2.376 241 E HA 0.099 4.449 4.350 -0.001 0.000 0.266 241 E C -0.850 175.677 176.600 -0.122 0.000 1.009 241 E CA 0.192 56.531 56.400 -0.101 0.000 0.902 241 E CB 0.911 30.638 29.700 0.045 0.000 0.972 241 E HN 0.302 nan 8.360 nan 0.000 0.439 242 K N 2.578 122.856 120.400 -0.202 0.000 2.426 242 K HA 0.514 4.833 4.320 -0.001 0.000 0.251 242 K C -0.747 175.814 176.600 -0.065 0.000 0.941 242 K CA -0.725 55.510 56.287 -0.087 0.000 0.808 242 K CB 1.876 34.347 32.500 -0.048 0.000 1.265 242 K HN 0.365 nan 8.250 nan 0.000 0.432 243 I N 3.900 124.535 120.570 0.107 0.000 2.362 243 I HA 0.388 4.558 4.170 -0.001 0.000 0.289 243 I C -0.611 175.496 176.117 -0.016 0.000 0.994 243 I CA -0.693 60.650 61.300 0.072 0.000 1.158 243 I CB 0.938 39.012 38.000 0.124 0.000 1.315 243 I HN 0.289 nan 8.210 nan 0.000 0.451 244 L N 5.135 126.311 121.223 -0.079 0.000 2.309 244 L HA 0.517 4.856 4.340 -0.001 0.000 0.261 244 L C -0.925 175.849 176.870 -0.160 0.000 1.021 244 L CA -1.116 53.668 54.840 -0.093 0.000 0.823 244 L CB 1.660 43.696 42.059 -0.039 0.000 1.366 244 L HN 0.315 nan 8.230 nan 0.000 0.423 245 Y N 0.203 120.507 120.300 0.007 0.000 2.497 245 Y HA 0.034 4.584 4.550 -0.001 0.000 0.334 245 Y C 1.350 177.276 175.900 0.043 0.000 1.199 245 Y CA 0.740 58.859 58.100 0.031 0.000 1.425 245 Y CB 0.879 39.356 38.460 0.028 0.000 1.291 245 Y HN 0.723 nan 8.280 nan 0.000 0.562 246 A N 3.836 126.796 122.820 0.233 0.000 1.915 246 A HA -0.293 4.026 4.320 -0.001 0.000 0.220 246 A C 2.273 179.967 177.584 0.183 0.000 1.198 246 A CA 2.290 54.453 52.037 0.210 0.000 0.647 246 A CB -0.508 18.655 19.000 0.272 0.000 0.825 246 A HN 0.934 nan 8.150 nan 0.000 0.456 247 R N -0.716 119.888 120.500 0.174 0.000 2.092 247 R HA -0.107 4.233 4.340 -0.001 0.000 0.231 247 R C 2.197 178.543 176.300 0.077 0.000 1.119 247 R CA 1.441 57.611 56.100 0.117 0.000 0.970 247 R CB -0.294 30.054 30.300 0.079 0.000 0.864 247 R HN 0.733 nan 8.270 nan 0.000 0.440 248 E N 0.681 120.930 120.200 0.082 0.000 2.058 248 E HA -0.122 4.228 4.350 -0.001 0.000 0.194 248 E C 0.891 177.473 176.600 -0.029 0.000 0.997 248 E CA 0.911 57.326 56.400 0.025 0.000 0.801 248 E CB -0.091 29.642 29.700 0.055 0.000 0.746 248 E HN 0.299 nan 8.360 nan 0.000 0.450 252 L N -0.664 120.401 121.223 -0.263 0.000 2.187 252 L HA -0.087 4.253 4.340 -0.001 0.000 0.213 252 L C 1.314 177.710 176.870 -0.790 0.000 1.100 252 L CA 1.549 56.046 54.840 -0.573 0.000 0.765 252 L CB -0.339 41.200 42.059 -0.867 0.000 0.904 252 L HN 0.510 nan 8.230 nan 0.000 0.437 253 F N -1.467 118.390 119.950 -0.154 0.000 2.735 253 F HA 0.234 4.761 4.527 -0.001 0.000 0.308 253 F C 0.539 176.245 175.800 -0.157 0.000 1.112 253 F CA -0.814 57.036 58.000 -0.251 0.000 1.235 253 F CB -0.368 38.290 39.000 -0.571 0.000 1.027 253 F HN -0.071 nan 8.300 nan 0.000 0.528 254 N N 1.308 120.018 118.700 0.016 0.000 2.721 254 N HA -0.214 4.526 4.740 -0.001 0.000 0.249 254 N C -0.732 174.823 175.510 0.076 0.000 1.072 254 N CA 0.559 53.631 53.050 0.037 0.000 0.710 254 N CB -1.450 37.056 38.487 0.032 0.000 0.993 254 N HN 0.319 nan 8.380 nan 0.000 0.547 255 L N -0.254 121.034 121.223 0.107 0.000 2.375 255 L HA 0.332 4.671 4.340 -0.001 0.000 0.271 255 L C 0.820 177.762 176.870 0.120 0.000 1.107 255 L CA -0.461 54.463 54.840 0.141 0.000 0.806 255 L CB 0.827 43.018 42.059 0.220 0.000 1.146 255 L HN 0.027 nan 8.230 nan 0.000 0.447 256 E N 2.586 122.849 120.200 0.106 0.000 2.191 256 E HA 0.400 4.750 4.350 -0.001 0.000 0.278 256 E C -2.196 174.453 176.600 0.081 0.000 0.972 256 E CA -1.821 54.626 56.400 0.079 0.000 0.804 256 E CB 1.372 31.105 29.700 0.055 0.000 1.110 256 E HN 0.304 nan 8.360 nan 0.000 0.394 257 P HA 0.052 nan 4.420 nan 0.000 0.272 257 P C -0.315 177.002 177.300 0.028 0.000 1.223 257 P CA -0.425 62.711 63.100 0.059 0.000 0.784 257 P CB 0.434 32.168 31.700 0.056 0.000 0.923 258 V N -0.493 119.424 119.914 0.005 0.000 2.743 258 V HA 0.500 4.619 4.120 -0.001 0.000 0.301 258 V C -0.273 175.820 176.094 -0.002 0.000 1.057 258 V CA -0.706 61.591 62.300 -0.005 0.000 1.006 258 V CB 1.566 33.374 31.823 -0.025 0.000 1.024 258 V HN 0.215 nan 8.190 nan 0.000 0.473 259 V N 5.114 125.027 119.914 -0.002 0.000 2.357 259 V HA 0.386 4.505 4.120 -0.001 0.000 0.284 259 V C 0.173 176.264 176.094 -0.004 0.000 1.018 259 V CA -0.506 61.793 62.300 -0.002 0.000 0.841 259 V CB 1.114 32.936 31.823 -0.002 0.000 0.991 259 V HN 0.800 nan 8.190 nan 0.000 0.437 260 L N 4.722 125.943 121.223 -0.004 0.000 2.410 260 L HA 0.508 4.848 4.340 -0.001 0.000 0.273 260 L C 1.099 177.968 176.870 -0.000 0.000 1.152 260 L CA 0.389 55.227 54.840 -0.004 0.000 0.855 260 L CB 0.521 42.578 42.059 -0.004 0.000 1.129 260 L HN 0.782 nan 8.230 nan 0.000 0.463 261 G N 3.189 111.990 108.800 0.001 0.000 2.795 261 G HA2 0.555 4.514 3.960 -0.001 0.000 0.267 261 G HA3 0.555 4.514 3.960 -0.001 0.000 0.267 261 G C -2.732 172.172 174.900 0.007 0.000 1.362 261 G CA -1.388 43.714 45.100 0.003 0.000 1.048 261 G HN 0.340 nan 8.290 nan 0.000 0.547 262 P HA 0.089 nan 4.420 nan 0.000 0.264 262 P C 0.223 177.534 177.300 0.018 0.000 1.183 262 P CA 0.469 63.575 63.100 0.010 0.000 0.763 262 P CB 0.931 32.634 31.700 0.005 0.000 0.807 263 K N 2.314 122.728 120.400 0.024 0.000 3.596 263 K HA -0.270 4.049 4.320 -0.001 0.000 0.295 263 K C 0.975 177.591 176.600 0.027 0.000 1.230 263 K CA 2.251 58.557 56.287 0.032 0.000 1.029 263 K CB -2.155 30.369 32.500 0.040 0.000 1.303 263 K HN 0.585 nan 8.250 nan 0.000 0.442 264 E N -1.153 119.058 120.200 0.018 0.000 2.216 264 E HA 0.016 4.365 4.350 -0.001 0.000 0.192 264 E C 1.864 178.467 176.600 0.006 0.000 0.988 264 E CA 0.749 57.155 56.400 0.011 0.000 0.834 264 E CB -0.159 29.544 29.700 0.004 0.000 0.772 264 E HN 0.561 nan 8.360 nan 0.000 0.479 265 G N 1.753 110.558 108.800 0.008 0.000 2.484 265 G HA2 -0.238 3.722 3.960 -0.001 0.000 0.215 265 G HA3 -0.238 3.722 3.960 -0.001 0.000 0.215 265 G C 1.580 176.482 174.900 0.004 0.000 1.219 265 G CA 0.375 45.477 45.100 0.003 0.000 0.791 265 G HN 0.075 nan 8.290 nan 0.000 0.550 266 L N 0.946 122.179 121.223 0.015 0.000 2.042 266 L HA -0.045 4.295 4.340 -0.001 0.000 0.210 266 L C 3.187 180.072 176.870 0.026 0.000 1.076 266 L CA 1.059 55.911 54.840 0.019 0.000 0.749 266 L CB -0.792 41.288 42.059 0.035 0.000 0.893 266 L HN 0.360 nan 8.230 nan 0.000 0.432 267 G N 0.012 108.829 108.800 0.028 0.000 2.442 267 G HA2 -0.209 3.750 3.960 -0.001 0.000 0.219 267 G HA3 -0.209 3.750 3.960 -0.001 0.000 0.219 267 G C 1.622 176.533 174.900 0.019 0.000 1.141 267 G CA 0.608 45.727 45.100 0.031 0.000 0.763 267 G HN 0.260 nan 8.290 nan 0.000 0.554 268 L N 0.267 121.493 121.223 0.005 0.000 2.202 268 L HA 0.069 4.408 4.340 -0.001 0.000 0.205 268 L C 2.885 179.753 176.870 -0.003 0.000 1.083 268 L CA 0.705 55.542 54.840 -0.005 0.000 0.790 268 L CB -0.038 42.009 42.059 -0.019 0.000 0.942 268 L HN 0.250 nan 8.230 nan 0.000 0.452 269 V N -4.012 115.897 119.914 -0.008 0.000 2.992 269 V HA 0.174 4.294 4.120 -0.001 0.000 0.250 269 V C 0.706 176.792 176.094 -0.013 0.000 1.090 269 V CA 0.180 62.469 62.300 -0.018 0.000 1.101 269 V CB -0.383 31.413 31.823 -0.045 0.000 0.743 269 V HN 0.251 nan 8.190 nan 0.000 0.468 270 N N 1.915 120.615 118.700 -0.000 0.000 2.422 270 N HA 0.647 5.387 4.740 -0.001 0.000 0.264 270 N C 0.188 175.750 175.510 0.088 0.000 1.063 270 N CA 1.284 54.341 53.050 0.013 0.000 0.959 270 N CB 1.080 39.590 38.487 0.039 0.000 1.087 270 N HN 0.835 nan 8.380 nan 0.000 0.483 271 G N -0.201 108.673 108.800 0.123 0.000 2.369 271 G HA2 0.049 4.008 3.960 -0.001 0.000 0.293 271 G HA3 0.049 4.008 3.960 -0.001 0.000 0.293 271 G C -0.170 174.788 174.900 0.097 0.000 1.301 271 G CA -0.078 45.100 45.100 0.129 0.000 0.913 271 G HN 0.433 nan 8.290 nan 0.000 0.540 272 T N -2.696 111.899 114.554 0.069 0.000 3.132 272 T HA 0.578 4.927 4.350 -0.001 0.000 0.274 272 T C 1.936 176.651 174.700 0.026 0.000 1.011 272 T CA 1.277 63.408 62.100 0.051 0.000 0.899 272 T CB 0.771 69.665 68.868 0.043 0.000 1.089 272 T HN 1.762 nan 8.240 nan 0.000 0.543 273 A N 1.158 123.991 122.820 0.021 0.000 2.015 273 A HA 0.157 4.476 4.320 -0.001 0.000 0.219 273 A C 2.254 179.842 177.584 0.005 0.000 1.163 273 A CA 1.336 53.378 52.037 0.008 0.000 0.646 273 A CB -0.747 18.257 19.000 0.006 0.000 0.806 273 A HN 0.442 nan 8.150 nan 0.000 0.448 274 V N 0.570 120.491 119.914 0.011 0.000 2.407 274 V HA -0.175 3.945 4.120 -0.001 0.000 0.245 274 V C 2.953 179.048 176.094 0.001 0.000 1.041 274 V CA 2.136 64.439 62.300 0.006 0.000 1.040 274 V CB -0.727 31.101 31.823 0.009 0.000 0.671 274 V HN 0.780 nan 8.190 nan 0.000 0.455 275 S N 1.376 117.080 115.700 0.007 0.000 2.383 275 S HA -0.106 4.363 4.470 -0.001 0.000 0.227 275 S C 2.109 176.708 174.600 -0.001 0.000 1.026 275 S CA 1.249 59.452 58.200 0.005 0.000 0.981 275 S CB -0.531 62.678 63.200 0.014 0.000 0.818 275 S HN 0.534 nan 8.310 nan 0.000 0.472 276 A N 1.640 124.459 122.820 -0.002 0.000 1.933 276 A HA 0.102 4.421 4.320 -0.001 0.000 0.218 276 A C 1.733 179.305 177.584 -0.020 0.000 1.175 276 A CA 1.274 53.303 52.037 -0.012 0.000 0.628 276 A CB -1.083 17.909 19.000 -0.013 0.000 0.814 276 A HN 0.596 nan 8.150 nan 0.000 0.444 280 T N 1.611 116.149 114.554 -0.027 0.000 2.652 280 T HA -0.145 4.204 4.350 -0.001 0.000 0.267 280 T C 1.874 176.578 174.700 0.006 0.000 1.039 280 T CA 1.939 64.024 62.100 -0.025 0.000 1.153 280 T CB -0.515 68.330 68.868 -0.037 0.000 0.863 280 T HN 0.353 nan 8.240 nan 0.000 0.428 281 L N 0.732 121.947 121.223 -0.015 0.000 2.012 281 L HA -0.148 4.191 4.340 -0.001 0.000 0.210 281 L C 3.044 179.936 176.870 0.038 0.000 1.073 281 L CA 1.445 56.274 54.840 -0.019 0.000 0.748 281 L CB -0.715 41.317 42.059 -0.045 0.000 0.891 281 L HN 0.246 nan 8.230 nan 0.000 0.431 282 A N -0.206 122.623 122.820 0.015 0.000 1.902 282 A HA -0.210 4.110 4.320 -0.001 0.000 0.217 282 A C 2.213 179.797 177.584 0.001 0.000 1.181 282 A CA 1.683 53.727 52.037 0.011 0.000 0.623 282 A CB -0.701 18.296 19.000 -0.005 0.000 0.818 282 A HN 0.316 nan 8.150 nan 0.000 0.443 283 L N -0.464 120.747 121.223 -0.020 0.000 2.017 283 L HA -0.198 4.141 4.340 -0.001 0.000 0.208 283 L C 2.437 179.251 176.870 -0.094 0.000 1.073 283 L CA 2.729 57.501 54.840 -0.113 0.000 0.745 283 L CB -0.882 41.115 42.059 -0.102 0.000 0.894 283 L HN 0.662 nan 8.230 nan 0.000 0.432 284 H N -0.319 118.749 119.070 -0.003 0.000 2.289 284 H HA -0.213 4.342 4.556 -0.001 0.000 0.294 284 H C 1.624 176.991 175.328 0.065 0.000 1.095 284 H CA 2.396 58.509 56.048 0.107 0.000 1.256 284 H CB -0.124 29.683 29.762 0.074 0.000 1.359 284 H HN 0.404 nan 8.280 nan 0.000 0.487 285 D N 0.506 121.019 120.400 0.189 0.000 2.144 285 D HA -0.057 4.583 4.640 -0.001 0.000 0.200 285 D C 2.343 178.645 176.300 0.003 0.000 0.978 285 D CA 1.266 55.324 54.000 0.096 0.000 0.833 285 D CB -0.590 40.275 40.800 0.108 0.000 0.961 285 D HN 0.514 nan 8.370 nan 0.000 0.470 286 A N 1.271 124.072 122.820 -0.032 0.000 1.933 286 A HA -0.152 4.168 4.320 -0.001 0.000 0.218 286 A C 1.217 178.773 177.584 -0.047 0.000 1.175 286 A CA 1.016 53.018 52.037 -0.059 0.000 0.628 286 A CB -0.628 18.309 19.000 -0.105 0.000 0.814 286 A HN 0.240 nan 8.150 nan 0.000 0.444 290 S N 0.927 116.652 115.700 0.042 0.000 2.359 290 S HA -0.106 4.363 4.470 -0.001 0.000 0.224 290 S C 1.872 176.491 174.600 0.032 0.000 1.035 290 S CA 1.784 60.014 58.200 0.051 0.000 1.018 290 S CB -0.150 63.090 63.200 0.067 0.000 0.876 290 S HN 0.318 nan 8.310 nan 0.000 0.448 291 L N 0.677 121.907 121.223 0.012 0.000 2.046 291 L HA -0.065 4.275 4.340 -0.001 0.000 0.208 291 L C 2.548 179.406 176.870 -0.020 0.000 1.077 291 L CA 0.944 55.774 54.840 -0.016 0.000 0.747 291 L CB -0.639 41.397 42.059 -0.038 0.000 0.896 291 L HN 0.358 nan 8.230 nan 0.000 0.432 292 L N -0.376 120.840 121.223 -0.012 0.000 2.046 292 L HA -0.212 4.128 4.340 -0.001 0.000 0.208 292 L C 2.759 179.623 176.870 -0.010 0.000 1.077 292 L CA 1.956 56.788 54.840 -0.014 0.000 0.747 292 L CB -0.714 41.346 42.059 0.002 0.000 0.896 292 L HN 0.177 nan 8.230 nan 0.000 0.432 293 S N -1.161 114.553 115.700 0.022 0.000 2.370 293 S HA -0.277 4.192 4.470 -0.001 0.000 0.226 293 S C 1.946 176.559 174.600 0.021 0.000 1.033 293 S CA 1.772 59.999 58.200 0.046 0.000 1.011 293 S CB -0.211 63.045 63.200 0.093 0.000 0.852 293 S HN 0.701 nan 8.310 nan 0.000 0.457 294 Q N 0.296 120.098 119.800 0.004 0.000 2.050 294 Q HA -0.049 4.290 4.340 -0.001 0.000 0.202 294 Q C 2.564 178.523 176.000 -0.067 0.000 0.980 294 Q CA 1.759 57.545 55.803 -0.029 0.000 0.840 294 Q CB -0.324 28.392 28.738 -0.038 0.000 0.898 294 Q HN 0.529 nan 8.270 nan 0.000 0.424 295 S N 1.219 116.882 115.700 -0.061 0.000 2.365 295 S HA -0.153 4.316 4.470 -0.001 0.000 0.225 295 S C 1.977 176.525 174.600 -0.087 0.000 1.039 295 S CA 1.105 59.264 58.200 -0.069 0.000 1.033 295 S CB -0.313 62.855 63.200 -0.054 0.000 0.887 295 S HN 0.263 nan 8.310 nan 0.000 0.447 296 L N 0.962 122.113 121.223 -0.119 0.000 2.083 296 L HA -0.126 4.214 4.340 -0.001 0.000 0.209 296 L C 2.698 179.484 176.870 -0.141 0.000 1.083 296 L CA 1.172 55.868 54.840 -0.240 0.000 0.752 296 L CB -1.168 40.627 42.059 -0.441 0.000 0.899 296 L HN 0.314 nan 8.230 nan 0.000 0.433 297 T N 0.078 114.604 114.554 -0.047 0.000 2.684 297 T HA -0.124 4.225 4.350 -0.001 0.000 0.267 297 T C 1.173 175.859 174.700 -0.023 0.000 1.036 297 T CA 0.966 63.074 62.100 0.014 0.000 1.148 297 T CB -0.284 68.601 68.868 0.027 0.000 0.863 297 T HN 0.435 nan 8.240 nan 0.000 0.436 301 V N 2.335 122.274 119.914 0.041 0.000 2.332 301 V HA -0.180 3.939 4.120 -0.001 0.000 0.248 301 V C 2.436 178.536 176.094 0.009 0.000 1.055 301 V CA 2.281 64.621 62.300 0.066 0.000 1.038 301 V CB -0.501 31.406 31.823 0.140 0.000 0.651 301 V HN 0.532 nan 8.190 nan 0.000 0.450 302 E N 0.346 120.537 120.200 -0.016 0.000 2.031 302 E HA -0.072 4.277 4.350 -0.001 0.000 0.193 302 E C 1.420 177.829 176.600 -0.318 0.000 0.994 302 E CA 0.956 57.320 56.400 -0.059 0.000 0.800 302 E CB -0.252 29.442 29.700 -0.010 0.000 0.752 302 E HN 0.644 nan 8.360 nan 0.000 0.447 306 G N -0.005 108.764 108.800 -0.052 0.000 2.525 306 G HA2 0.622 4.581 3.960 -0.001 0.000 0.287 306 G HA3 0.622 4.581 3.960 -0.001 0.000 0.287 306 G C -0.873 173.935 174.900 -0.154 0.000 1.350 306 G CA -0.749 44.316 45.100 -0.059 0.000 1.039 306 G HN 0.675 nan 8.290 nan 0.000 0.513 307 H N -0.766 118.335 119.070 0.051 0.000 2.519 307 H HA 0.464 5.019 4.556 -0.001 0.000 0.316 307 H C 1.165 176.542 175.328 0.082 0.000 1.065 307 H CA 0.218 56.283 56.048 0.029 0.000 1.264 307 H CB 1.837 31.600 29.762 0.002 0.000 1.413 307 H HN 0.493 nan 8.280 nan 0.000 0.465 308 A N 3.198 126.106 122.820 0.147 0.000 2.121 308 A HA -0.082 4.238 4.320 -0.001 0.000 0.218 308 A C 2.489 180.250 177.584 0.295 0.000 1.154 308 A CA 1.353 53.556 52.037 0.277 0.000 0.679 308 A CB -0.745 18.320 19.000 0.109 0.000 0.795 308 A HN 0.864 nan 8.150 nan 0.000 0.458 309 G N -0.596 108.313 108.800 0.183 0.000 2.470 309 G HA2 -0.128 3.832 3.960 -0.001 0.000 0.220 309 G HA3 -0.128 3.832 3.960 -0.001 0.000 0.220 309 G C 1.605 176.521 174.900 0.027 0.000 1.121 309 G CA 1.108 46.291 45.100 0.139 0.000 0.766 309 G HN 0.488 nan 8.290 nan 0.000 0.553 310 S N 0.398 115.969 115.700 -0.215 0.000 2.440 310 S HA -0.040 4.429 4.470 -0.001 0.000 0.238 310 S C 1.232 175.557 174.600 -0.458 0.000 1.010 310 S CA 0.762 58.661 58.200 -0.502 0.000 0.972 310 S CB -0.262 62.386 63.200 -0.919 0.000 0.774 310 S HN 0.430 nan 8.310 nan 0.000 0.501 311 F N -0.110 120.002 119.950 0.271 0.000 2.653 311 F HA 0.303 4.830 4.527 -0.001 0.000 0.304 311 F C 0.953 176.924 175.800 0.284 0.000 1.092 311 F CA -0.918 57.229 58.000 0.246 0.000 1.279 311 F CB -0.349 38.710 39.000 0.097 0.000 1.044 311 F HN 0.177 nan 8.300 nan 0.000 0.564 312 H N 4.698 123.942 119.070 0.290 0.000 2.928 312 H HA 0.046 4.602 4.556 -0.001 0.000 0.338 312 H C -1.578 173.927 175.328 0.295 0.000 1.047 312 H CA -1.367 54.827 56.048 0.243 0.000 1.435 312 H CB 1.527 31.392 29.762 0.171 0.000 1.428 312 H HN -0.051 nan 8.280 nan 0.000 0.590 313 P HA -0.178 nan 4.420 nan 0.000 0.222 313 P C 1.563 179.057 177.300 0.322 0.000 1.147 313 P CA 0.763 64.001 63.100 0.230 0.000 0.790 313 P CB -0.208 31.529 31.700 0.061 0.000 0.780 314 F N 1.096 121.300 119.950 0.424 0.000 2.161 314 F HA -0.122 4.405 4.527 -0.001 0.000 0.300 314 F C 1.902 177.726 175.800 0.040 0.000 1.089 314 F CA 1.325 59.443 58.000 0.197 0.000 1.282 314 F CB -0.805 38.255 39.000 0.100 0.000 1.010 314 F HN -0.260 nan 8.300 nan 0.000 0.485 315 L N -0.814 120.403 121.223 -0.009 0.000 2.610 315 L HA -0.070 4.270 4.340 -0.001 0.000 0.232 315 L C 1.526 177.941 176.870 -0.758 0.000 1.149 315 L CA 0.280 54.881 54.840 -0.399 0.000 0.872 315 L CB -0.478 41.348 42.059 -0.388 0.000 0.992 315 L HN 0.297 nan 8.230 nan 0.000 0.447 316 H N -2.035 117.015 119.070 -0.033 0.000 2.984 316 H HA 0.091 4.646 4.556 -0.001 0.000 0.137 316 H C 1.157 176.460 175.328 -0.042 0.000 1.110 316 H CA 0.160 56.203 56.048 -0.009 0.000 1.070 316 H CB -0.284 29.511 29.762 0.055 0.000 1.019 316 H HN 0.021 nan 8.280 nan 0.000 0.291 317 D N 1.389 121.862 120.400 0.121 0.000 2.116 317 D HA -0.121 4.518 4.640 -0.001 0.000 0.193 317 D C 2.142 178.424 176.300 -0.030 0.000 0.998 317 D CA 1.371 55.400 54.000 0.049 0.000 0.836 317 D CB -0.095 40.746 40.800 0.068 0.000 0.951 317 D HN 0.054 nan 8.370 nan 0.000 0.449 318 V N 0.218 120.074 119.914 -0.097 0.000 2.379 318 V HA -0.123 3.997 4.120 -0.001 0.000 0.243 318 V C 2.524 178.452 176.094 -0.276 0.000 1.035 318 V CA 1.993 64.189 62.300 -0.173 0.000 1.035 318 V CB -0.644 31.050 31.823 -0.215 0.000 0.673 318 V HN 0.394 nan 8.190 nan 0.000 0.457 319 T N -1.841 112.468 114.554 -0.408 0.000 3.031 319 T HA 0.028 4.377 4.350 -0.001 0.000 0.254 319 T C 1.251 175.817 174.700 -0.224 0.000 1.060 319 T CA 0.402 62.273 62.100 -0.381 0.000 1.135 319 T CB 0.107 68.657 68.868 -0.530 0.000 0.896 319 T HN 0.334 nan 8.240 nan 0.000 0.472 320 R N 1.944 122.339 120.500 -0.175 0.000 2.754 320 R HA 0.269 4.608 4.340 -0.001 0.000 0.255 320 R C -2.873 173.367 176.300 -0.100 0.000 1.723 320 R CA -1.371 54.653 56.100 -0.125 0.000 1.596 320 R CB 1.320 31.589 30.300 -0.052 0.000 1.424 320 R HN 0.110 nan 8.270 nan 0.000 0.662 321 P HA 0.050 nan 4.420 nan 0.000 0.226 321 P C -0.749 176.495 177.300 -0.094 0.000 1.758 321 P CA -0.185 62.863 63.100 -0.087 0.000 0.896 321 P CB -0.209 31.442 31.700 -0.082 0.000 1.784 322 H N 1.350 120.433 119.070 0.021 0.000 3.046 322 H HA 0.035 4.590 4.556 -0.001 0.000 0.303 322 H C -1.336 174.007 175.328 0.026 0.000 1.002 322 H CA -1.000 55.060 56.048 0.020 0.000 1.460 322 H CB 0.260 30.035 29.762 0.022 0.000 1.493 322 H HN 0.137 nan 8.280 nan 0.000 0.559 323 P HA -0.174 nan 4.420 nan 0.000 0.216 323 P C 1.576 178.918 177.300 0.069 0.000 1.153 323 P CA 2.216 65.361 63.100 0.075 0.000 0.858 323 P CB 0.205 31.940 31.700 0.057 0.000 0.789 324 T N -4.255 110.345 114.554 0.076 0.000 3.043 324 T HA -0.059 4.290 4.350 -0.001 0.000 0.263 324 T C 1.922 176.652 174.700 0.050 0.000 1.094 324 T CA 0.455 62.583 62.100 0.046 0.000 1.127 324 T CB -0.670 68.214 68.868 0.028 0.000 0.905 324 T HN 0.126 nan 8.240 nan 0.000 0.490 325 Q N 0.761 120.616 119.800 0.093 0.000 2.046 325 Q HA -0.030 4.309 4.340 -0.001 0.000 0.200 325 Q C 2.238 178.268 176.000 0.049 0.000 0.975 325 Q CA 1.398 57.263 55.803 0.105 0.000 0.836 325 Q CB -0.369 28.497 28.738 0.212 0.000 0.896 325 Q HN 0.618 nan 8.270 nan 0.000 0.428 326 I N 0.880 121.499 120.570 0.081 0.000 2.151 326 I HA -0.339 3.830 4.170 -0.001 0.000 0.243 326 I C 2.557 178.671 176.117 -0.004 0.000 1.080 326 I CA 1.810 63.141 61.300 0.051 0.000 1.339 326 I CB -0.469 37.569 38.000 0.063 0.000 1.039 326 I HN 0.435 nan 8.210 nan 0.000 0.409 327 E N 0.973 121.174 120.200 0.003 0.000 2.038 327 E HA -0.215 4.135 4.350 -0.001 0.000 0.195 327 E C 2.291 178.872 176.600 -0.033 0.000 1.000 327 E CA 2.012 58.404 56.400 -0.014 0.000 0.803 327 E CB 0.034 29.729 29.700 -0.008 0.000 0.750 327 E HN 0.274 nan 8.360 nan 0.000 0.448 328 V N 1.407 121.303 119.914 -0.029 0.000 2.295 328 V HA -0.258 3.862 4.120 -0.001 0.000 0.246 328 V C 2.558 178.609 176.094 -0.073 0.000 1.049 328 V CA 1.824 64.103 62.300 -0.034 0.000 1.024 328 V CB -0.891 30.936 31.823 0.007 0.000 0.648 328 V HN 0.490 nan 8.190 nan 0.000 0.447 329 A N 0.593 123.334 122.820 -0.132 0.000 1.908 329 A HA -0.134 4.185 4.320 -0.001 0.000 0.218 329 A C 2.419 179.962 177.584 -0.069 0.000 1.181 329 A CA 2.086 54.017 52.037 -0.176 0.000 0.627 329 A CB -1.249 17.311 19.000 -0.733 0.000 0.818 329 A HN 0.539 nan 8.150 nan 0.000 0.445 330 G N -0.254 108.509 108.800 -0.062 0.000 2.422 330 G HA2 -0.252 3.708 3.960 -0.001 0.000 0.218 330 G HA3 -0.252 3.708 3.960 -0.001 0.000 0.218 330 G C 1.427 176.293 174.900 -0.057 0.000 1.146 330 G CA 1.040 46.119 45.100 -0.035 0.000 0.769 330 G HN 0.524 nan 8.290 nan 0.000 0.547 331 N N 0.757 119.411 118.700 -0.075 0.000 2.084 331 N HA -0.044 4.696 4.740 -0.001 0.000 0.190 331 N C 2.245 177.675 175.510 -0.134 0.000 1.030 331 N CA 0.876 53.874 53.050 -0.087 0.000 0.849 331 N CB -0.285 38.154 38.487 -0.080 0.000 1.012 331 N HN 0.354 nan 8.380 nan 0.000 0.423 332 I N 0.773 121.211 120.570 -0.220 0.000 2.252 332 I HA -0.191 3.978 4.170 -0.001 0.000 0.245 332 I C 2.597 178.508 176.117 -0.343 0.000 1.102 332 I CA 0.705 61.757 61.300 -0.413 0.000 1.385 332 I CB -0.190 37.308 38.000 -0.835 0.000 1.064 332 I HN 0.094 nan 8.210 nan 0.000 0.414 333 R N 1.663 122.051 120.500 -0.185 0.000 2.083 333 R HA -0.255 4.084 4.340 -0.001 0.000 0.237 333 R C 2.357 178.650 176.300 -0.011 0.000 1.137 333 R CA 1.942 58.037 56.100 -0.008 0.000 0.951 333 R CB -0.205 30.138 30.300 0.072 0.000 0.851 333 R HN 0.219 nan 8.270 nan 0.000 0.434 334 K N 0.519 120.896 120.400 -0.037 0.000 2.032 334 K HA -0.160 4.159 4.320 -0.001 0.000 0.209 334 K C 2.135 178.721 176.600 -0.023 0.000 1.048 334 K CA 1.745 58.016 56.287 -0.027 0.000 0.927 334 K CB -0.176 32.303 32.500 -0.036 0.000 0.712 334 K HN 0.251 nan 8.250 nan 0.000 0.441 335 L N 0.839 122.031 121.223 -0.051 0.000 2.127 335 L HA -0.185 4.154 4.340 -0.001 0.000 0.211 335 L C 2.234 179.104 176.870 0.001 0.000 1.089 335 L CA 1.000 55.817 54.840 -0.039 0.000 0.757 335 L CB -0.263 41.751 42.059 -0.074 0.000 0.899 335 L HN 0.268 nan 8.230 nan 0.000 0.434 336 L N -0.813 120.417 121.223 0.012 0.000 2.509 336 L HA 0.016 4.355 4.340 -0.001 0.000 0.222 336 L C 1.205 178.190 176.870 0.191 0.000 1.123 336 L CA -0.154 54.748 54.840 0.104 0.000 0.856 336 L CB -0.202 41.922 42.059 0.108 0.000 0.985 336 L HN 0.221 nan 8.230 nan 0.000 0.456 337 E N 0.825 121.090 120.200 0.107 0.000 2.558 337 E HA 0.011 4.360 4.350 -0.001 0.000 0.255 337 E C 1.160 177.782 176.600 0.037 0.000 0.968 337 E CA 0.801 57.233 56.400 0.053 0.000 0.939 337 E CB 0.302 30.009 29.700 0.011 0.000 0.921 337 E HN 0.342 nan 8.360 nan 0.000 0.477 338 G N 3.251 112.031 108.800 -0.032 0.000 2.179 338 G HA2 -0.338 3.621 3.960 -0.001 0.000 0.260 338 G HA3 -0.338 3.621 3.960 -0.001 0.000 0.260 338 G C 0.369 175.323 174.900 0.090 0.000 0.977 338 G CA 0.440 45.536 45.100 -0.007 0.000 0.641 338 G HN 0.661 nan 8.290 nan 0.000 0.533 339 S N 0.169 115.998 115.700 0.214 0.000 2.552 339 S HA 0.402 4.872 4.470 -0.001 0.000 0.289 339 S C 1.540 176.328 174.600 0.313 0.000 1.304 339 S CA 0.133 58.494 58.200 0.269 0.000 1.063 339 S CB 0.394 63.777 63.200 0.306 0.000 0.848 339 S HN 0.359 nan 8.310 nan 0.000 0.499 340 R N 3.376 123.991 120.500 0.191 0.000 2.393 340 R HA 0.132 4.472 4.340 -0.001 0.000 0.244 340 R C 0.434 176.867 176.300 0.222 0.000 0.920 340 R CA 0.195 56.414 56.100 0.199 0.000 1.076 340 R CB -0.183 30.232 30.300 0.192 0.000 1.119 340 R HN 0.601 nan 8.270 nan 0.000 0.524 341 F N 1.126 121.230 119.950 0.257 0.000 2.243 341 F HA 0.261 4.787 4.527 -0.001 0.000 0.287 341 F C 1.557 177.408 175.800 0.086 0.000 1.067 341 F CA -0.195 57.916 58.000 0.185 0.000 1.304 341 F CB -0.586 38.438 39.000 0.041 0.000 1.087 341 F HN -0.151 nan 8.300 nan 0.000 0.513 342 A N 0.748 123.703 122.820 0.225 0.000 2.425 342 A HA 0.447 4.767 4.320 -0.001 0.000 0.242 342 A C -0.275 177.184 177.584 -0.208 0.000 1.077 342 A CA -0.302 51.724 52.037 -0.019 0.000 0.781 342 A CB 0.050 19.012 19.000 -0.063 0.000 1.020 342 A HN -0.023 nan 8.150 nan 0.000 0.494 343 V N 3.148 122.905 119.914 -0.261 0.000 2.465 343 V HA 0.238 4.357 4.120 -0.001 0.000 0.279 343 V C 0.803 176.720 176.094 -0.295 0.000 1.045 343 V CA -0.263 61.903 62.300 -0.224 0.000 0.938 343 V CB 0.872 32.552 31.823 -0.238 0.000 0.986 343 V HN 1.029 nan 8.190 nan 0.000 0.467 344 H N 2.043 121.166 119.070 0.088 0.000 2.545 344 H HA 0.199 4.755 4.556 -0.001 0.000 0.283 344 H C 0.018 175.299 175.328 -0.079 0.000 0.997 344 H CA 0.363 56.417 56.048 0.010 0.000 1.269 344 H CB 0.611 30.340 29.762 -0.055 0.000 1.451 344 H HN 0.647 nan 8.280 nan 0.000 0.508 345 H N 1.685 120.876 119.070 0.203 0.000 2.556 345 H HA 0.154 4.710 4.556 -0.001 0.000 0.310 345 H C 0.059 175.460 175.328 0.123 0.000 1.057 345 H CA -0.384 55.749 56.048 0.141 0.000 1.264 345 H CB 1.139 30.965 29.762 0.106 0.000 1.404 345 H HN 0.144 nan 8.280 nan 0.000 0.462 346 E N 2.148 122.464 120.200 0.193 0.000 2.508 346 E HA -0.115 4.235 4.350 -0.001 0.000 0.266 346 E C 0.119 176.801 176.600 0.137 0.000 1.010 346 E CA 0.609 57.102 56.400 0.154 0.000 0.955 346 E CB 1.008 30.751 29.700 0.072 0.000 0.946 346 E HN 0.622 nan 8.360 nan 0.000 0.454 355 E N 0.247 120.451 120.200 0.007 0.000 2.676 355 E HA 0.373 4.723 4.350 -0.001 0.000 0.225 355 E C 0.974 177.578 176.600 0.007 0.000 0.944 355 E CA 0.075 56.480 56.400 0.009 0.000 1.156 355 E CB 1.218 30.925 29.700 0.011 0.000 1.117 355 E HN 0.264 nan 8.360 nan 0.000 0.523 356 G N 2.446 111.248 108.800 0.004 0.000 2.221 356 G HA2 -0.294 3.665 3.960 -0.001 0.000 0.265 356 G HA3 -0.294 3.665 3.960 -0.001 0.000 0.265 356 G C 0.191 175.092 174.900 0.001 0.000 1.041 356 G CA 0.113 45.213 45.100 0.001 0.000 0.807 356 G HN 0.246 nan 8.290 nan 0.000 0.502 357 I N -0.044 120.528 120.570 0.003 0.000 2.588 357 I HA 0.250 4.420 4.170 -0.001 0.000 0.283 357 I C 1.017 177.137 176.117 0.005 0.000 1.119 357 I CA -0.473 60.830 61.300 0.005 0.000 1.419 357 I CB 1.167 39.172 38.000 0.008 0.000 1.394 357 I HN 0.235 nan 8.210 nan 0.000 0.562 358 L N 7.360 128.587 121.223 0.006 0.000 2.278 358 L HA 0.303 4.643 4.340 -0.001 0.000 0.287 358 L C 0.940 177.823 176.870 0.021 0.000 1.072 358 L CA -0.005 54.839 54.840 0.007 0.000 0.819 358 L CB 0.175 42.235 42.059 0.001 0.000 1.176 358 L HN 0.590 nan 8.230 nan 0.000 0.435 359 R N 2.018 122.527 120.500 0.015 0.000 2.265 359 R HA 0.195 4.534 4.340 -0.001 0.000 0.194 359 R C -0.234 176.065 176.300 -0.002 0.000 0.931 359 R CA -0.068 56.046 56.100 0.024 0.000 1.032 359 R CB 0.433 30.736 30.300 0.004 0.000 0.980 359 R HN 0.587 nan 8.270 nan 0.000 0.497 360 Q N 0.800 120.585 119.800 -0.025 0.000 2.342 360 Q HA 0.198 4.537 4.340 -0.001 0.000 0.267 360 Q C -1.019 174.988 176.000 0.013 0.000 1.038 360 Q CA -0.669 55.086 55.803 -0.081 0.000 0.832 360 Q CB 1.518 30.209 28.738 -0.078 0.000 1.323 360 Q HN -0.042 nan 8.270 nan 0.000 0.448 361 D N 1.397 121.826 120.400 0.047 0.000 2.449 361 D HA 0.005 4.644 4.640 -0.001 0.000 0.236 361 D C 0.400 176.753 176.300 0.089 0.000 1.149 361 D CA 0.458 54.518 54.000 0.100 0.000 0.878 361 D CB 0.777 41.655 40.800 0.129 0.000 1.198 361 D HN 0.182 nan 8.370 nan 0.000 0.446 362 R N 0.971 121.515 120.500 0.073 0.000 2.738 362 R HA 0.048 4.388 4.340 -0.001 0.000 0.275 362 R C 1.057 177.470 176.300 0.187 0.000 1.121 362 R CA -0.512 55.632 56.100 0.074 0.000 1.207 362 R CB 0.176 30.462 30.300 -0.024 0.000 1.141 362 R HN 0.454 nan 8.270 nan 0.000 0.571 363 Y N 0.478 120.748 120.300 -0.050 0.000 2.293 363 Y HA -0.045 4.504 4.550 -0.001 0.000 0.291 363 Y C -0.772 175.081 175.900 -0.079 0.000 1.137 363 Y CA 0.394 58.461 58.100 -0.056 0.000 1.202 363 Y CB -1.704 36.714 38.460 -0.070 0.000 0.990 363 Y HN 0.517 nan 8.280 nan 0.000 0.537 364 P HA -0.173 nan 4.420 nan 0.000 0.217 364 P C 1.621 178.948 177.300 0.045 0.000 1.148 364 P CA 1.654 64.733 63.100 -0.036 0.000 0.828 364 P CB -0.043 31.611 31.700 -0.077 0.000 0.783 365 L N -1.761 119.517 121.223 0.091 0.000 2.189 365 L HA 0.103 4.442 4.340 -0.001 0.000 0.199 365 L C 2.711 179.669 176.870 0.147 0.000 1.074 365 L CA 0.738 55.676 54.840 0.163 0.000 0.783 365 L CB -0.496 41.659 42.059 0.161 0.000 0.955 365 L HN -0.218 nan 8.230 nan 0.000 0.460 366 R N 0.299 120.839 120.500 0.067 0.000 2.148 366 R HA -0.109 4.231 4.340 -0.001 0.000 0.223 366 R C 1.642 177.914 176.300 -0.047 0.000 1.088 366 R CA 1.645 57.719 56.100 -0.043 0.000 0.985 366 R CB 0.030 30.318 30.300 -0.020 0.000 0.880 366 R HN 0.398 nan 8.270 nan 0.000 0.451 367 T N -2.167 112.389 114.554 0.004 0.000 3.176 367 T HA 0.101 4.450 4.350 -0.001 0.000 0.263 367 T C 1.375 176.173 174.700 0.163 0.000 1.021 367 T CA 0.176 62.289 62.100 0.023 0.000 0.905 367 T CB 0.508 69.325 68.868 -0.085 0.000 1.057 367 T HN 0.230 nan 8.240 nan 0.000 0.558 368 S N 2.245 118.067 115.700 0.203 0.000 2.382 368 S HA 0.006 4.475 4.470 -0.001 0.000 0.228 368 S C -0.721 174.051 174.600 0.287 0.000 1.027 368 S CA 0.705 59.064 58.200 0.265 0.000 0.991 368 S CB -1.633 61.732 63.200 0.275 0.000 0.823 368 S HN 0.432 nan 8.310 nan 0.000 0.469 369 P HA 0.032 nan 4.420 nan 0.000 0.219 369 P C 1.320 178.731 177.300 0.184 0.000 1.150 369 P CA 1.084 64.296 63.100 0.187 0.000 0.814 369 P CB -0.136 31.613 31.700 0.081 0.000 0.787 370 Q N -1.970 117.963 119.800 0.220 0.000 2.224 370 Q HA -0.114 4.225 4.340 -0.001 0.000 0.203 370 Q C 1.913 178.022 176.000 0.182 0.000 0.970 370 Q CA 1.150 57.057 55.803 0.173 0.000 0.865 370 Q CB -0.776 28.052 28.738 0.150 0.000 0.922 370 Q HN 0.406 nan 8.270 nan 0.000 0.445 371 W N 0.020 121.346 121.300 0.043 0.000 2.441 371 W HA -0.008 4.652 4.660 -0.001 0.000 0.302 371 W C 1.141 177.681 176.519 0.035 0.000 1.191 371 W CA 0.953 58.323 57.345 0.040 0.000 1.327 371 W CB 0.053 29.552 29.460 0.064 0.000 1.128 371 W HN 0.163 nan 8.180 nan 0.000 0.522 372 L N 0.090 121.459 121.223 0.244 0.000 2.209 372 L HA 0.044 4.383 4.340 -0.001 0.000 0.207 372 L C 2.759 179.648 176.870 0.031 0.000 1.094 372 L CA 0.962 55.881 54.840 0.131 0.000 0.790 372 L CB -1.369 40.789 42.059 0.166 0.000 0.932 372 L HN -0.040 nan 8.230 nan 0.000 0.447 373 G N 1.338 110.158 108.800 0.033 0.000 2.529 373 G HA2 -0.235 3.725 3.960 -0.001 0.000 0.219 373 G HA3 -0.235 3.725 3.960 -0.001 0.000 0.219 373 G C -0.735 174.135 174.900 -0.051 0.000 1.177 373 G CA 0.906 46.006 45.100 0.001 0.000 0.773 373 G HN 0.297 nan 8.290 nan 0.000 0.573 374 P HA -0.060 nan 4.420 nan 0.000 0.215 374 P C 2.134 179.367 177.300 -0.111 0.000 1.153 374 P CA 1.312 64.323 63.100 -0.147 0.000 0.853 374 P CB -0.225 31.346 31.700 -0.215 0.000 0.788 375 L N -3.423 117.732 121.223 -0.113 0.000 2.217 375 L HA -0.028 4.311 4.340 -0.001 0.000 0.211 375 L C 2.011 178.868 176.870 -0.022 0.000 1.107 375 L CA 1.579 56.373 54.840 -0.077 0.000 0.783 375 L CB -1.810 40.199 42.059 -0.084 0.000 0.919 375 L HN -0.220 nan 8.230 nan 0.000 0.442 376 V N -0.253 119.658 119.914 -0.005 0.000 2.343 376 V HA -0.253 3.866 4.120 -0.001 0.000 0.247 376 V C 2.891 179.006 176.094 0.035 0.000 1.051 376 V CA 1.924 64.241 62.300 0.028 0.000 1.036 376 V CB -0.608 31.232 31.823 0.028 0.000 0.654 376 V HN 0.700 nan 8.190 nan 0.000 0.451 377 S N -0.418 115.290 115.700 0.013 0.000 2.382 377 S HA -0.236 4.234 4.470 -0.001 0.000 0.228 377 S C 1.746 176.377 174.600 0.052 0.000 1.027 377 S CA 1.793 60.010 58.200 0.029 0.000 0.991 377 S CB -0.426 62.779 63.200 0.007 0.000 0.823 377 S HN 0.645 nan 8.310 nan 0.000 0.469 378 D N 1.218 121.627 120.400 0.014 0.000 2.117 378 D HA -0.053 4.587 4.640 -0.001 0.000 0.197 378 D C 1.912 178.258 176.300 0.078 0.000 0.987 378 D CA 0.952 54.961 54.000 0.016 0.000 0.829 378 D CB -0.410 40.369 40.800 -0.034 0.000 0.961 378 D HN 0.386 nan 8.370 nan 0.000 0.460 379 L N 0.281 121.545 121.223 0.068 0.000 2.093 379 L HA -0.098 4.241 4.340 -0.001 0.000 0.208 379 L C 2.432 179.428 176.870 0.211 0.000 1.085 379 L CA 0.622 55.516 54.840 0.090 0.000 0.755 379 L CB -0.234 41.872 42.059 0.078 0.000 0.904 379 L HN 0.037 nan 8.230 nan 0.000 0.435 380 I N -1.213 119.464 120.570 0.178 0.000 2.315 380 I HA -0.298 3.871 4.170 -0.001 0.000 0.248 380 I C 2.680 178.870 176.117 0.121 0.000 1.117 380 I CA 0.984 62.371 61.300 0.144 0.000 1.404 380 I CB -0.548 37.487 38.000 0.059 0.000 1.071 380 I HN 0.367 nan 8.210 nan 0.000 0.419 381 H N 1.743 120.823 119.070 0.017 0.000 2.326 381 H HA -0.126 4.430 4.556 -0.001 0.000 0.301 381 H C 2.214 177.515 175.328 -0.045 0.000 1.081 381 H CA 1.822 57.848 56.048 -0.037 0.000 1.334 381 H CB 0.168 29.935 29.762 0.008 0.000 1.385 381 H HN 0.298 nan 8.280 nan 0.000 0.504 382 A N 0.270 123.190 122.820 0.167 0.000 1.948 382 A HA -0.261 4.059 4.320 -0.001 0.000 0.220 382 A C 2.264 179.852 177.584 0.007 0.000 1.177 382 A CA 1.999 54.086 52.037 0.084 0.000 0.636 382 A CB -1.137 17.903 19.000 0.068 0.000 0.815 382 A HN 0.669 nan 8.150 nan 0.000 0.449 383 H N -0.446 118.622 119.070 -0.003 0.000 2.353 383 H HA 0.018 4.573 4.556 -0.001 0.000 0.300 383 H C 2.284 177.556 175.328 -0.093 0.000 1.090 383 H CA 1.961 58.020 56.048 0.018 0.000 1.327 383 H CB -0.139 29.683 29.762 0.100 0.000 1.383 383 H HN 0.442 nan 8.280 nan 0.000 0.508 384 A N -0.308 122.442 122.820 -0.117 0.000 1.902 384 A HA -0.118 4.202 4.320 -0.001 0.000 0.217 384 A C 2.618 180.013 177.584 -0.315 0.000 1.181 384 A CA 1.612 53.445 52.037 -0.339 0.000 0.623 384 A CB -0.804 17.686 19.000 -0.849 0.000 0.818 384 A HN 0.314 nan 8.150 nan 0.000 0.443 385 V N 0.157 119.891 119.914 -0.300 0.000 2.270 385 V HA -0.239 3.881 4.120 -0.001 0.000 0.245 385 V C 2.554 178.613 176.094 -0.058 0.000 1.043 385 V CA 1.922 64.176 62.300 -0.077 0.000 1.014 385 V CB -0.776 31.028 31.823 -0.032 0.000 0.645 385 V HN 0.567 nan 8.190 nan 0.000 0.447 386 L N -0.297 120.869 121.223 -0.095 0.000 2.131 386 L HA -0.169 4.171 4.340 -0.001 0.000 0.210 386 L C 2.620 179.423 176.870 -0.113 0.000 1.092 386 L CA 1.787 56.567 54.840 -0.099 0.000 0.759 386 L CB -1.018 40.967 42.059 -0.125 0.000 0.903 386 L HN 0.387 nan 8.230 nan 0.000 0.435 387 T N 0.314 114.779 114.554 -0.147 0.000 2.720 387 T HA -0.175 4.175 4.350 -0.001 0.000 0.268 387 T C 1.909 176.581 174.700 -0.046 0.000 1.037 387 T CA 1.426 63.465 62.100 -0.102 0.000 1.144 387 T CB -0.182 68.644 68.868 -0.071 0.000 0.864 387 T HN 0.201 nan 8.240 nan 0.000 0.444 388 I N 0.634 121.190 120.570 -0.024 0.000 2.202 388 I HA -0.143 4.026 4.170 -0.001 0.000 0.242 388 I C 2.740 178.842 176.117 -0.025 0.000 1.091 388 I CA 1.271 62.568 61.300 -0.006 0.000 1.368 388 I CB -0.302 37.715 38.000 0.028 0.000 1.058 388 I HN 0.189 nan 8.210 nan 0.000 0.410 389 E N 1.303 121.487 120.200 -0.026 0.000 2.058 389 E HA -0.221 4.128 4.350 -0.001 0.000 0.194 389 E C 2.073 178.651 176.600 -0.037 0.000 0.997 389 E CA 1.882 58.265 56.400 -0.029 0.000 0.801 389 E CB -0.139 29.547 29.700 -0.022 0.000 0.746 389 E HN 0.440 nan 8.360 nan 0.000 0.450 390 A N -0.754 122.039 122.820 -0.044 0.000 1.970 390 A HA 0.158 4.478 4.320 -0.001 0.000 0.216 390 A C 2.230 179.785 177.584 -0.048 0.000 1.170 390 A CA 1.317 53.328 52.037 -0.044 0.000 0.645 390 A CB -0.413 18.557 19.000 -0.050 0.000 0.816 390 A HN 0.372 nan 8.150 nan 0.000 0.447 391 G N -1.930 106.839 108.800 -0.051 0.000 2.939 391 G HA2 0.296 4.255 3.960 -0.001 0.000 0.216 391 G HA3 0.296 4.255 3.960 -0.001 0.000 0.216 391 G C 0.838 175.684 174.900 -0.090 0.000 1.125 391 G CA 0.296 45.364 45.100 -0.053 0.000 0.766 391 G HN 0.491 nan 8.290 nan 0.000 0.541 392 Q N 0.180 119.920 119.800 -0.099 0.000 2.038 392 Q HA 0.319 4.658 4.340 -0.001 0.000 0.240 392 Q C -0.834 175.078 176.000 -0.146 0.000 0.831 392 Q CA -0.091 55.618 55.803 -0.156 0.000 1.068 392 Q CB 1.604 30.316 28.738 -0.044 0.000 1.241 392 Q HN 0.173 nan 8.270 nan 0.000 0.435 393 S N 0.221 115.850 115.700 -0.118 0.000 2.536 393 S HA 0.518 4.988 4.470 -0.001 0.000 0.287 393 S C -0.493 174.076 174.600 -0.050 0.000 1.101 393 S CA -0.564 57.593 58.200 -0.072 0.000 0.950 393 S CB 2.077 65.249 63.200 -0.047 0.000 1.056 393 S HN -0.007 nan 8.310 nan 0.000 0.481 394 T N 2.115 116.665 114.554 -0.007 0.000 2.749 394 T HA 0.423 4.772 4.350 -0.001 0.000 0.287 394 T C 1.040 175.748 174.700 0.014 0.000 0.970 394 T CA -0.505 61.617 62.100 0.036 0.000 0.980 394 T CB 0.895 69.855 68.868 0.154 0.000 0.924 394 T HN 0.755 nan 8.240 nan 0.000 0.456 395 T N -1.296 113.276 114.554 0.029 0.000 3.043 395 T HA 0.148 4.497 4.350 -0.001 0.000 0.272 395 T C 0.495 175.263 174.700 0.114 0.000 0.990 395 T CA -0.598 61.528 62.100 0.043 0.000 0.897 395 T CB 0.096 68.989 68.868 0.042 0.000 1.111 395 T HN 0.647 nan 8.240 nan 0.000 0.529 396 D N 1.545 122.010 120.400 0.109 0.000 2.469 396 D HA 0.433 5.072 4.640 -0.001 0.000 0.278 396 D C -0.281 176.128 176.300 0.182 0.000 1.231 396 D CA -0.528 53.562 54.000 0.151 0.000 1.075 396 D CB 0.693 41.549 40.800 0.095 0.000 1.121 396 D HN 0.281 nan 8.370 nan 0.000 0.571 397 N N -1.969 116.840 118.700 0.181 0.000 3.171 397 N HA 0.293 5.033 4.740 -0.001 0.000 0.239 397 N C -3.047 172.539 175.510 0.128 0.000 1.275 397 N CA -1.030 52.129 53.050 0.182 0.000 0.920 397 N CB 1.720 40.438 38.487 0.384 0.000 1.554 397 N HN 0.029 nan 8.380 nan 0.000 0.504 398 P HA 0.179 nan 4.420 nan 0.000 0.269 398 P C -0.763 176.531 177.300 -0.011 0.000 1.217 398 P CA 0.064 63.134 63.100 -0.050 0.000 0.783 398 P CB 0.512 32.059 31.700 -0.255 0.000 0.898 399 L N 1.534 122.745 121.223 -0.020 0.000 2.334 399 L HA 0.493 4.832 4.340 -0.001 0.000 0.273 399 L C -0.104 176.802 176.870 0.060 0.000 1.013 399 L CA -1.031 53.830 54.840 0.035 0.000 0.816 399 L CB 1.264 43.325 42.059 0.003 0.000 1.278 399 L HN 0.157 nan 8.230 nan 0.000 0.431 400 I N 1.553 122.178 120.570 0.091 0.000 2.378 400 I HA 0.216 4.386 4.170 -0.001 0.000 0.291 400 I C -0.413 175.729 176.117 0.041 0.000 0.992 400 I CA -0.356 60.992 61.300 0.080 0.000 1.154 400 I CB 1.392 39.466 38.000 0.124 0.000 1.315 400 I HN 0.493 nan 8.210 nan 0.000 0.448 401 D N 6.353 126.738 120.400 -0.025 0.000 2.467 401 D HA 0.227 4.866 4.640 -0.001 0.000 0.220 401 D C 0.954 177.092 176.300 -0.270 0.000 1.103 401 D CA -0.283 53.683 54.000 -0.057 0.000 0.886 401 D CB 1.233 42.061 40.800 0.047 0.000 1.025 401 D HN 0.246 nan 8.370 nan 0.000 0.514 402 V N 3.741 123.511 119.914 -0.240 0.000 2.358 402 V HA -0.176 3.943 4.120 -0.001 0.000 0.246 402 V C 2.168 178.101 176.094 -0.268 0.000 1.047 402 V CA 1.297 63.373 62.300 -0.374 0.000 1.035 402 V CB -0.274 31.457 31.823 -0.153 0.000 0.658 402 V HN 0.479 nan 8.190 nan 0.000 0.452 403 E N 0.633 120.755 120.200 -0.130 0.000 2.097 403 E HA -0.171 4.179 4.350 -0.001 0.000 0.196 403 E C 1.658 178.208 176.600 -0.083 0.000 1.000 403 E CA 1.197 57.552 56.400 -0.076 0.000 0.804 403 E CB -0.437 29.242 29.700 -0.035 0.000 0.740 403 E HN 0.595 nan 8.360 nan 0.000 0.454 404 N N 0.529 119.168 118.700 -0.102 0.000 2.235 404 N HA 0.031 4.771 4.740 -0.001 0.000 0.209 404 N C -0.579 174.867 175.510 -0.107 0.000 1.122 404 N CA -0.021 52.989 53.050 -0.067 0.000 0.845 404 N CB 0.535 39.013 38.487 -0.015 0.000 1.004 404 N HN 0.083 nan 8.380 nan 0.000 0.499 405 K N 0.656 120.894 120.400 -0.270 0.000 3.451 405 K HA -0.180 4.140 4.320 -0.001 0.000 0.273 405 K C -0.260 176.288 176.600 -0.086 0.000 0.944 405 K CA 0.588 56.668 56.287 -0.345 0.000 0.734 405 K CB -1.265 31.297 32.500 0.104 0.000 1.437 405 K HN 0.165 nan 8.250 nan 0.000 0.454 406 T N -1.080 113.330 114.554 -0.239 0.000 2.816 406 T HA 0.593 4.942 4.350 -0.001 0.000 0.299 406 T C -1.350 173.298 174.700 -0.087 0.000 1.230 406 T CA -0.064 62.001 62.100 -0.058 0.000 1.007 406 T CB 1.699 70.487 68.868 -0.134 0.000 1.289 406 T HN 0.255 nan 8.240 nan 0.000 0.508 407 S N 1.344 116.971 115.700 -0.123 0.000 2.599 407 S HA 0.779 5.249 4.470 -0.001 0.000 0.294 407 S C -1.445 172.926 174.600 -0.382 0.000 1.094 407 S CA -0.898 57.225 58.200 -0.129 0.000 0.931 407 S CB 1.520 64.707 63.200 -0.020 0.000 1.093 407 S HN 0.758 nan 8.310 nan 0.000 0.488 408 H N 0.464 119.438 119.070 -0.160 0.000 2.771 408 H HA 0.369 4.924 4.556 -0.001 0.000 0.361 408 H C -1.044 174.121 175.328 -0.272 0.000 1.108 408 H CA -0.499 55.471 56.048 -0.131 0.000 1.201 408 H CB 1.558 31.272 29.762 -0.080 0.000 1.681 408 H HN 0.700 nan 8.280 nan 0.000 0.534 409 H N 1.846 120.998 119.070 0.138 0.000 2.623 409 H HA 0.330 4.885 4.556 -0.001 0.000 0.299 409 H C 0.385 175.764 175.328 0.085 0.000 1.052 409 H CA -0.229 55.883 56.048 0.105 0.000 1.231 409 H CB 1.546 31.356 29.762 0.080 0.000 1.389 409 H HN 0.852 nan 8.280 nan 0.000 0.469 410 G N 0.825 109.699 108.800 0.123 0.000 3.247 410 G HA2 0.448 4.407 3.960 -0.001 0.000 0.226 410 G HA3 0.448 4.407 3.960 -0.001 0.000 0.226 410 G C 0.145 174.983 174.900 -0.102 0.000 1.220 410 G CA -0.346 44.762 45.100 0.014 0.000 0.875 410 G HN 0.511 nan 8.290 nan 0.000 0.606 411 G N -0.398 108.201 108.800 -0.335 0.000 4.773 411 G HA2 0.184 4.143 3.960 -0.001 0.000 0.269 411 G HA3 0.184 4.143 3.960 -0.001 0.000 0.269 411 G C 0.313 174.668 174.900 -0.908 0.000 0.992 411 G CA -0.137 44.473 45.100 -0.817 0.000 0.775 411 G HN 0.277 nan 8.290 nan 0.000 0.471 412 N N 0.948 119.285 118.700 -0.605 0.000 2.571 412 N HA -0.025 4.714 4.740 -0.001 0.000 0.189 412 N C 1.503 176.870 175.510 -0.238 0.000 1.154 412 N CA 0.342 53.197 53.050 -0.326 0.000 0.907 412 N CB -0.191 38.201 38.487 -0.157 0.000 0.977 412 N HN 0.611 nan 8.380 nan 0.000 0.449 413 F N -0.027 119.928 119.950 0.009 0.000 2.780 413 F HA 0.254 4.780 4.527 -0.001 0.000 0.299 413 F C 0.892 176.699 175.800 0.012 0.000 1.146 413 F CA -0.694 57.313 58.000 0.011 0.000 1.428 413 F CB -0.817 38.194 39.000 0.018 0.000 1.115 413 F HN -0.218 nan 8.300 nan 0.000 0.583 414 Q N 2.359 122.130 119.800 -0.049 0.000 2.381 414 Q HA 0.435 4.775 4.340 -0.001 0.000 0.243 414 Q C 0.483 176.502 176.000 0.032 0.000 1.154 414 Q CA 0.039 55.876 55.803 0.057 0.000 0.899 414 Q CB 0.773 29.476 28.738 -0.058 0.000 1.396 414 Q HN 0.367 nan 8.270 nan 0.000 0.485 415 A N 3.901 126.763 122.820 0.070 0.000 2.543 415 A HA 0.336 4.656 4.320 -0.001 0.000 0.258 415 A C 1.458 179.059 177.584 0.029 0.000 1.391 415 A CA 0.582 52.644 52.037 0.042 0.000 1.066 415 A CB -0.640 18.390 19.000 0.050 0.000 0.972 415 A HN 0.855 nan 8.150 nan 0.000 0.560 416 A N -0.014 122.819 122.820 0.022 0.000 1.972 416 A HA 0.144 4.463 4.320 -0.001 0.000 0.219 416 A C 2.382 179.980 177.584 0.022 0.000 1.169 416 A CA 1.673 53.722 52.037 0.020 0.000 0.635 416 A CB -0.585 18.423 19.000 0.014 0.000 0.810 416 A HN 1.094 nan 8.150 nan 0.000 0.446 417 A N -0.429 122.402 122.820 0.019 0.000 1.908 417 A HA -0.024 4.295 4.320 -0.001 0.000 0.218 417 A C 2.217 179.819 177.584 0.031 0.000 1.181 417 A CA 1.883 53.938 52.037 0.030 0.000 0.627 417 A CB -0.853 18.160 19.000 0.021 0.000 0.818 417 A HN 0.392 nan 8.150 nan 0.000 0.445 418 V N -0.264 119.662 119.914 0.020 0.000 2.307 418 V HA -0.198 3.922 4.120 -0.001 0.000 0.245 418 V C 3.053 179.158 176.094 0.018 0.000 1.045 418 V CA 1.823 64.132 62.300 0.014 0.000 1.024 418 V CB -1.317 30.512 31.823 0.010 0.000 0.651 418 V HN 0.603 nan 8.190 nan 0.000 0.449 419 A N 0.590 123.423 122.820 0.021 0.000 1.908 419 A HA -0.299 4.020 4.320 -0.001 0.000 0.218 419 A C 2.220 179.817 177.584 0.021 0.000 1.181 419 A CA 2.141 54.191 52.037 0.020 0.000 0.627 419 A CB -0.893 18.121 19.000 0.023 0.000 0.818 419 A HN 0.630 nan 8.150 nan 0.000 0.445 420 N N 0.326 119.043 118.700 0.028 0.000 2.069 420 N HA -0.129 4.610 4.740 -0.001 0.000 0.191 420 N C 1.223 176.756 175.510 0.037 0.000 1.031 420 N CA 1.940 55.010 53.050 0.034 0.000 0.852 420 N CB -0.577 37.943 38.487 0.055 0.000 1.018 420 N HN 0.583 nan 8.380 nan 0.000 0.423 424 K N 1.299 121.691 120.400 -0.013 0.000 2.057 424 K HA 0.074 4.393 4.320 -0.001 0.000 0.206 424 K C 1.906 178.493 176.600 -0.023 0.000 1.050 424 K CA 1.907 58.178 56.287 -0.025 0.000 0.935 424 K CB -0.430 32.052 32.500 -0.031 0.000 0.715 424 K HN -0.119 nan 8.250 nan 0.000 0.439 425 T N 1.108 115.652 114.554 -0.017 0.000 2.759 425 T HA -0.136 4.214 4.350 -0.001 0.000 0.269 425 T C 1.904 176.596 174.700 -0.014 0.000 1.042 425 T CA 1.572 63.658 62.100 -0.022 0.000 1.140 425 T CB -0.184 68.665 68.868 -0.031 0.000 0.864 425 T HN 0.344 nan 8.240 nan 0.000 0.455 426 R N 0.160 120.654 120.500 -0.010 0.000 2.092 426 R HA -0.012 4.327 4.340 -0.001 0.000 0.231 426 R C 2.330 178.630 176.300 0.000 0.000 1.119 426 R CA 0.923 57.021 56.100 -0.002 0.000 0.970 426 R CB -0.404 29.894 30.300 -0.003 0.000 0.864 426 R HN 0.248 nan 8.270 nan 0.000 0.440 427 L N 0.244 121.461 121.223 -0.010 0.000 2.046 427 L HA 0.016 4.356 4.340 -0.001 0.000 0.208 427 L C 2.069 178.932 176.870 -0.012 0.000 1.077 427 L CA 2.252 57.084 54.840 -0.013 0.000 0.747 427 L CB -1.019 41.022 42.059 -0.030 0.000 0.896 427 L HN 0.265 nan 8.230 nan 0.000 0.432 428 G N -0.434 108.354 108.800 -0.020 0.000 2.440 428 G HA2 -0.253 3.706 3.960 -0.001 0.000 0.218 428 G HA3 -0.253 3.706 3.960 -0.001 0.000 0.218 428 G C 1.612 176.526 174.900 0.024 0.000 1.154 428 G CA 1.136 46.225 45.100 -0.017 0.000 0.767 428 G HN 0.449 nan 8.290 nan 0.000 0.552 429 L N 0.572 121.812 121.223 0.029 0.000 2.083 429 L HA -0.026 4.313 4.340 -0.001 0.000 0.209 429 L C 3.361 180.280 176.870 0.082 0.000 1.083 429 L CA 0.976 55.847 54.840 0.053 0.000 0.752 429 L CB -0.327 41.755 42.059 0.038 0.000 0.899 429 L HN 0.304 nan 8.230 nan 0.000 0.433 430 A N -0.889 121.975 122.820 0.072 0.000 1.968 430 A HA -0.167 4.153 4.320 -0.001 0.000 0.217 430 A C 2.263 179.940 177.584 0.155 0.000 1.169 430 A CA 0.994 53.089 52.037 0.097 0.000 0.638 430 A CB -0.236 18.806 19.000 0.070 0.000 0.812 430 A HN 0.344 nan 8.150 nan 0.000 0.446 431 Q N 0.037 119.924 119.800 0.145 0.000 2.046 431 Q HA -0.094 4.245 4.340 -0.001 0.000 0.200 431 Q C 2.125 178.378 176.000 0.423 0.000 0.975 431 Q CA 1.390 57.346 55.803 0.255 0.000 0.836 431 Q CB -0.591 28.145 28.738 -0.003 0.000 0.896 431 Q HN 0.762 nan 8.270 nan 0.000 0.428 432 I N 0.491 121.219 120.570 0.263 0.000 2.091 432 I HA -0.284 3.886 4.170 -0.001 0.000 0.239 432 I C 2.357 178.626 176.117 0.252 0.000 1.061 432 I CA 1.536 62.990 61.300 0.257 0.000 1.317 432 I CB -0.872 37.227 38.000 0.165 0.000 1.031 432 I HN 0.260 nan 8.210 nan 0.000 0.401 433 G N 0.752 109.679 108.800 0.211 0.000 2.491 433 G HA2 -0.367 3.592 3.960 -0.001 0.000 0.218 433 G HA3 -0.367 3.592 3.960 -0.001 0.000 0.218 433 G C 1.638 176.685 174.900 0.244 0.000 1.180 433 G CA 1.342 46.566 45.100 0.208 0.000 0.774 433 G HN 0.224 nan 8.290 nan 0.000 0.562 434 K N 0.083 120.635 120.400 0.253 0.000 2.063 434 K HA -0.054 4.265 4.320 -0.001 0.000 0.208 434 K C 2.320 179.035 176.600 0.192 0.000 1.048 434 K CA 1.206 57.649 56.287 0.259 0.000 0.928 434 K CB -0.641 32.034 32.500 0.291 0.000 0.713 434 K HN 0.287 nan 8.250 nan 0.000 0.442 435 L N 0.932 122.250 121.223 0.158 0.000 1.976 435 L HA -0.132 4.207 4.340 -0.001 0.000 0.209 435 L C 1.389 178.288 176.870 0.049 0.000 1.071 435 L CA 2.083 56.901 54.840 -0.038 0.000 0.746 435 L CB -0.852 41.226 42.059 0.032 0.000 0.890 435 L HN 0.295 nan 8.230 nan 0.000 0.432 436 N N -1.338 117.458 118.700 0.160 0.000 2.166 436 N HA -0.218 4.521 4.740 -0.001 0.000 0.186 436 N C 1.657 177.179 175.510 0.020 0.000 1.019 436 N CA 1.484 54.647 53.050 0.188 0.000 0.856 436 N CB -0.413 38.290 38.487 0.359 0.000 0.993 436 N HN 0.421 nan 8.380 nan 0.000 0.426 437 F N 1.927 121.869 119.950 -0.013 0.000 2.069 437 F HA -0.245 4.282 4.527 -0.001 0.000 0.298 437 F C 2.529 178.266 175.800 -0.105 0.000 1.113 437 F CA 1.862 59.827 58.000 -0.057 0.000 1.214 437 F CB -1.090 37.907 39.000 -0.005 0.000 0.978 437 F HN 0.080 nan 8.300 nan 0.000 0.474 438 T N -1.577 112.799 114.554 -0.297 0.000 2.788 438 T HA -0.243 4.107 4.350 -0.001 0.000 0.268 438 T C 1.809 176.297 174.700 -0.353 0.000 1.044 438 T CA 1.665 63.526 62.100 -0.398 0.000 1.139 438 T CB -0.788 67.969 68.868 -0.185 0.000 0.867 438 T HN 0.550 nan 8.240 nan 0.000 0.454 439 Q N 0.377 120.029 119.800 -0.246 0.000 2.050 439 Q HA 0.019 4.358 4.340 -0.001 0.000 0.202 439 Q C 2.374 178.194 176.000 -0.300 0.000 0.980 439 Q CA 1.496 57.192 55.803 -0.178 0.000 0.840 439 Q CB -0.380 28.351 28.738 -0.012 0.000 0.898 439 Q HN 0.443 nan 8.270 nan 0.000 0.424 440 L N 0.186 121.093 121.223 -0.527 0.000 2.017 440 L HA -0.150 4.189 4.340 -0.001 0.000 0.208 440 L C 2.341 178.981 176.870 -0.382 0.000 1.073 440 L CA 2.157 56.672 54.840 -0.542 0.000 0.745 440 L CB -0.961 40.721 42.059 -0.628 0.000 0.894 440 L HN 0.119 nan 8.230 nan 0.000 0.432 441 T N -0.926 113.312 114.554 -0.527 0.000 2.915 441 T HA -0.135 4.215 4.350 -0.001 0.000 0.269 441 T C 1.049 175.572 174.700 -0.294 0.000 1.071 441 T CA 0.669 62.495 62.100 -0.456 0.000 1.132 441 T CB -0.247 68.166 68.868 -0.758 0.000 0.878 441 T HN 0.572 nan 8.240 nan 0.000 0.479 445 N N 1.731 120.385 118.700 -0.077 0.000 2.485 445 N HA 0.413 5.152 4.740 -0.001 0.000 0.243 445 N C 0.899 176.381 175.510 -0.046 0.000 0.987 445 N CA 0.642 53.656 53.050 -0.061 0.000 0.940 445 N CB 2.090 40.532 38.487 -0.074 0.000 1.122 445 N HN 0.205 nan 8.380 nan 0.000 0.509 446 A N 3.069 125.871 122.820 -0.030 0.000 2.032 446 A HA 0.015 4.334 4.320 -0.001 0.000 0.221 446 A C 1.215 178.784 177.584 -0.024 0.000 1.165 446 A CA 1.432 53.456 52.037 -0.022 0.000 0.645 446 A CB -0.789 18.209 19.000 -0.002 0.000 0.807 446 A HN 0.633 nan 8.150 nan 0.000 0.453 450 R N 0.622 121.104 120.500 -0.031 0.000 3.525 450 R HA -0.126 4.213 4.340 -0.001 0.000 0.276 450 R C 0.871 177.155 176.300 -0.027 0.000 1.116 450 R CA 1.200 57.288 56.100 -0.020 0.000 0.745 450 R CB -2.191 28.104 30.300 -0.009 0.000 1.185 450 R HN 1.156 nan 8.270 nan 0.000 0.454 451 G N -0.600 108.176 108.800 -0.042 0.000 2.157 451 G HA2 -0.304 3.655 3.960 -0.001 0.000 0.239 451 G HA3 -0.304 3.655 3.960 -0.001 0.000 0.239 451 G C 0.262 175.123 174.900 -0.066 0.000 0.982 451 G CA 0.132 45.199 45.100 -0.055 0.000 0.650 451 G HN 0.255 nan 8.290 nan 0.000 0.527 452 L N 1.348 122.532 121.223 -0.066 0.000 2.485 452 L HA 0.289 4.628 4.340 -0.001 0.000 0.275 452 L C -1.422 175.410 176.870 -0.063 0.000 1.207 452 L CA -1.613 53.181 54.840 -0.077 0.000 0.855 452 L CB 0.364 42.372 42.059 -0.085 0.000 1.114 452 L HN -0.061 nan 8.230 nan 0.000 0.485 453 P HA -0.063 nan 4.420 nan 0.000 0.267 453 P C -0.402 176.890 177.300 -0.014 0.000 1.200 453 P CA -0.061 63.015 63.100 -0.039 0.000 0.772 453 P CB 0.545 32.225 31.700 -0.034 0.000 0.855 454 S N 2.667 118.371 115.700 0.006 0.000 2.626 454 S HA -0.082 4.388 4.470 -0.001 0.000 0.303 454 S C 0.625 175.255 174.600 0.049 0.000 1.256 454 S CA 0.270 58.488 58.200 0.030 0.000 1.069 454 S CB -1.289 61.944 63.200 0.055 0.000 0.807 454 S HN 0.693 nan 8.310 nan 0.000 0.500 455 C N 3.680 123.005 119.300 0.042 0.000 4.326 455 C HA -0.211 4.248 4.460 -0.001 0.000 0.284 455 C C 1.094 176.106 174.990 0.037 0.000 1.419 455 C CA 0.414 59.464 59.018 0.054 0.000 1.920 455 C CB -2.964 24.852 27.740 0.127 0.000 1.306 455 C HN 1.062 nan 8.230 nan 0.000 0.786 456 L N -3.248 117.987 121.223 0.020 0.000 3.843 456 L HA -0.288 4.052 4.340 -0.001 0.000 0.411 456 L C 0.979 177.953 176.870 0.173 0.000 1.205 456 L CA 0.595 55.456 54.840 0.035 0.000 0.945 456 L CB -2.089 39.947 42.059 -0.038 0.000 1.929 456 L HN 0.878 nan 8.230 nan 0.000 0.934 457 A N -0.151 122.749 122.820 0.132 0.000 2.477 457 A HA 0.588 4.907 4.320 -0.001 0.000 0.246 457 A C 1.351 178.967 177.584 0.054 0.000 1.078 457 A CA 0.600 52.702 52.037 0.109 0.000 0.770 457 A CB 0.933 19.954 19.000 0.035 0.000 1.011 457 A HN 0.539 nan 8.150 nan 0.000 0.494 458 A N 1.820 124.663 122.820 0.037 0.000 2.021 458 A HA 0.178 4.497 4.320 -0.001 0.000 0.216 458 A C 1.095 178.640 177.584 -0.065 0.000 1.163 458 A CA 0.931 52.985 52.037 0.028 0.000 0.676 458 A CB -0.064 19.027 19.000 0.152 0.000 0.818 458 A HN 0.798 nan 8.150 nan 0.000 0.453 459 E N -0.141 119.986 120.200 -0.121 0.000 2.538 459 E HA 0.237 4.586 4.350 -0.001 0.000 0.232 459 E C -1.252 175.313 176.600 -0.059 0.000 0.830 459 E CA -0.913 55.392 56.400 -0.160 0.000 0.916 459 E CB -0.115 29.388 29.700 -0.330 0.000 1.567 459 E HN 0.086 nan 8.360 nan 0.000 0.389 460 D N 2.488 122.882 120.400 -0.010 0.000 2.520 460 D HA 0.005 4.644 4.640 -0.001 0.000 0.243 460 D C -1.567 174.722 176.300 -0.018 0.000 1.160 460 D CA -0.934 53.072 54.000 0.010 0.000 0.877 460 D CB 0.495 41.321 40.800 0.043 0.000 1.150 460 D HN 0.027 nan 8.370 nan 0.000 0.494 461 P HA -0.132 nan 4.420 nan 0.000 0.223 461 P C 1.311 178.620 177.300 0.015 0.000 1.151 461 P CA 0.787 63.888 63.100 0.001 0.000 0.787 461 P CB 0.081 31.811 31.700 0.049 0.000 0.788 462 S N -0.492 115.227 115.700 0.031 0.000 2.420 462 S HA -0.132 4.338 4.470 -0.001 0.000 0.237 462 S C 1.406 176.024 174.600 0.030 0.000 1.023 462 S CA 1.179 59.421 58.200 0.071 0.000 0.991 462 S CB -1.245 61.979 63.200 0.040 0.000 0.792 462 S HN 0.167 nan 8.310 nan 0.000 0.488 463 L N 0.663 121.805 121.223 -0.135 0.000 3.267 463 L HA 0.452 4.792 4.340 -0.001 0.000 0.289 463 L C 0.102 176.684 176.870 -0.481 0.000 1.260 463 L CA -0.232 54.463 54.840 -0.242 0.000 1.034 463 L CB 1.008 43.016 42.059 -0.085 0.000 1.413 463 L HN 0.246 nan 8.230 nan 0.000 0.594 464 S N -0.578 114.691 115.700 -0.718 0.000 2.706 464 S HA 0.431 4.900 4.470 -0.001 0.000 0.270 464 S C -0.882 173.375 174.600 -0.572 0.000 1.163 464 S CA -0.322 57.542 58.200 -0.561 0.000 1.042 464 S CB 0.611 63.681 63.200 -0.216 0.000 1.079 464 S HN 0.223 nan 8.310 nan 0.000 0.474 465 Y N 4.146 124.491 120.300 0.075 0.000 2.720 465 Y HA 0.342 4.891 4.550 -0.001 0.000 0.268 465 Y C 1.571 177.548 175.900 0.127 0.000 1.142 465 Y CA -0.572 57.573 58.100 0.075 0.000 1.193 465 Y CB -1.104 37.382 38.460 0.043 0.000 1.176 465 Y HN 0.927 nan 8.280 nan 0.000 0.542 466 H N -0.011 119.099 119.070 0.066 0.000 1.775 466 H HA -0.382 4.174 4.556 -0.001 0.000 0.150 466 H C 0.763 176.164 175.328 0.122 0.000 1.123 466 H CA 2.372 58.474 56.048 0.089 0.000 1.756 466 H CB -0.264 29.548 29.762 0.085 0.000 2.108 466 H HN 0.418 nan 8.280 nan 0.000 0.911 467 C N 1.401 120.696 119.300 -0.008 0.000 2.625 467 C HA 0.107 4.567 4.460 -0.001 0.000 0.285 467 C C 2.338 177.331 174.990 0.004 0.000 1.279 467 C CA 0.022 58.987 59.018 -0.088 0.000 1.698 467 C CB -0.924 26.710 27.740 -0.178 0.000 1.821 467 C HN 0.533 nan 8.230 nan 0.000 0.600 468 K N 1.732 122.168 120.400 0.060 0.000 2.057 468 K HA -0.076 4.243 4.320 -0.001 0.000 0.206 468 K C 2.141 178.751 176.600 0.018 0.000 1.050 468 K CA 1.726 58.038 56.287 0.043 0.000 0.935 468 K CB -0.388 32.155 32.500 0.072 0.000 0.715 468 K HN 0.484 nan 8.250 nan 0.000 0.439 469 G N 1.522 110.339 108.800 0.028 0.000 2.440 469 G HA2 -0.228 3.731 3.960 -0.001 0.000 0.218 469 G HA3 -0.228 3.731 3.960 -0.001 0.000 0.218 469 G C 1.482 176.363 174.900 -0.032 0.000 1.154 469 G CA 0.740 45.839 45.100 -0.003 0.000 0.767 469 G HN 0.227 nan 8.290 nan 0.000 0.552 470 L N 0.171 121.381 121.223 -0.022 0.000 2.141 470 L HA -0.033 4.306 4.340 -0.001 0.000 0.209 470 L C 2.512 179.374 176.870 -0.013 0.000 1.094 470 L CA 1.015 55.842 54.840 -0.022 0.000 0.763 470 L CB -0.338 41.720 42.059 -0.002 0.000 0.908 470 L HN 0.149 nan 8.230 nan 0.000 0.437 471 D N 0.801 121.197 120.400 -0.007 0.000 2.104 471 D HA -0.202 4.437 4.640 -0.001 0.000 0.194 471 D C 2.152 178.473 176.300 0.036 0.000 0.994 471 D CA 1.487 55.493 54.000 0.011 0.000 0.830 471 D CB 0.009 40.804 40.800 -0.009 0.000 0.959 471 D HN 0.238 nan 8.370 nan 0.000 0.452 472 I N 0.430 120.989 120.570 -0.018 0.000 2.179 472 I HA -0.256 3.914 4.170 -0.001 0.000 0.242 472 I C 2.526 178.550 176.117 -0.155 0.000 1.088 472 I CA 1.126 62.392 61.300 -0.056 0.000 1.357 472 I CB -0.343 37.619 38.000 -0.063 0.000 1.051 472 I HN 0.003 nan 8.210 nan 0.000 0.409 473 A N 0.784 123.468 122.820 -0.227 0.000 1.908 473 A HA -0.228 4.091 4.320 -0.001 0.000 0.218 473 A C 2.536 179.656 177.584 -0.773 0.000 1.181 473 A CA 2.074 53.788 52.037 -0.539 0.000 0.627 473 A CB -0.923 17.824 19.000 -0.421 0.000 0.818 473 A HN 0.454 nan 8.150 nan 0.000 0.445 474 A N -0.238 122.427 122.820 -0.259 0.000 1.902 474 A HA 0.152 4.471 4.320 -0.001 0.000 0.217 474 A C 2.514 180.061 177.584 -0.062 0.000 1.181 474 A CA 2.131 54.185 52.037 0.030 0.000 0.623 474 A CB -1.029 18.147 19.000 0.293 0.000 0.818 474 A HN 1.091 nan 8.150 nan 0.000 0.443 475 A N -0.010 122.739 122.820 -0.120 0.000 1.883 475 A HA 0.109 4.428 4.320 -0.001 0.000 0.217 475 A C 2.539 179.905 177.584 -0.364 0.000 1.186 475 A CA 2.305 54.072 52.037 -0.451 0.000 0.624 475 A CB -1.140 17.741 19.000 -0.199 0.000 0.822 475 A HN 1.118 nan 8.150 nan 0.000 0.444 476 A N -1.125 121.509 122.820 -0.310 0.000 1.908 476 A HA -0.102 4.218 4.320 -0.001 0.000 0.218 476 A C 2.087 179.598 177.584 -0.122 0.000 1.181 476 A CA 1.772 53.662 52.037 -0.244 0.000 0.627 476 A CB -0.853 17.972 19.000 -0.291 0.000 0.818 476 A HN 0.591 nan 8.150 nan 0.000 0.445 477 Y N 0.621 120.878 120.300 -0.073 0.000 2.181 477 Y HA -0.131 4.419 4.550 -0.001 0.000 0.288 477 Y C 2.940 178.805 175.900 -0.058 0.000 1.146 477 Y CA 1.251 59.327 58.100 -0.040 0.000 1.164 477 Y CB -1.586 36.875 38.460 0.000 0.000 0.982 477 Y HN 0.263 nan 8.280 nan 0.000 0.515 478 T N -0.647 113.910 114.554 0.005 0.000 2.746 478 T HA -0.172 4.177 4.350 -0.001 0.000 0.267 478 T C 2.221 176.870 174.700 -0.085 0.000 1.039 478 T CA 1.695 63.739 62.100 -0.092 0.000 1.142 478 T CB -0.467 68.165 68.868 -0.395 0.000 0.866 478 T HN 0.285 nan 8.240 nan 0.000 0.444 479 S N 0.907 116.530 115.700 -0.128 0.000 2.359 479 S HA -0.153 4.316 4.470 -0.001 0.000 0.224 479 S C 2.077 176.679 174.600 0.003 0.000 1.035 479 S CA 1.361 59.517 58.200 -0.074 0.000 1.018 479 S CB -0.316 62.826 63.200 -0.096 0.000 0.876 479 S HN 0.626 nan 8.310 nan 0.000 0.448 480 E N 0.927 121.140 120.200 0.021 0.000 2.077 480 E HA -0.135 4.215 4.350 -0.001 0.000 0.193 480 E C 1.973 178.629 176.600 0.093 0.000 0.989 480 E CA 0.904 57.341 56.400 0.062 0.000 0.800 480 E CB -0.194 29.550 29.700 0.075 0.000 0.746 480 E HN 0.418 nan 8.360 nan 0.000 0.452 481 L N 0.119 121.389 121.223 0.079 0.000 2.079 481 L HA -0.153 4.186 4.340 -0.001 0.000 0.210 481 L C 2.581 179.492 176.870 0.069 0.000 1.081 481 L CA 1.265 56.150 54.840 0.075 0.000 0.752 481 L CB -0.690 41.415 42.059 0.076 0.000 0.896 481 L HN 0.323 nan 8.230 nan 0.000 0.433 482 G N -1.228 107.612 108.800 0.067 0.000 2.459 482 G HA2 -0.334 3.625 3.960 -0.001 0.000 0.217 482 G HA3 -0.334 3.625 3.960 -0.001 0.000 0.217 482 G C 1.549 176.493 174.900 0.073 0.000 1.183 482 G CA 0.951 46.088 45.100 0.063 0.000 0.776 482 G HN 0.463 nan 8.290 nan 0.000 0.552 483 H N 0.650 119.725 119.070 0.007 0.000 2.389 483 H HA 0.091 4.646 4.556 -0.001 0.000 0.299 483 H C 2.618 177.951 175.328 0.009 0.000 1.081 483 H CA 1.122 57.174 56.048 0.006 0.000 1.345 483 H CB -0.161 29.600 29.762 -0.002 0.000 1.393 483 H HN 0.291 nan 8.280 nan 0.000 0.520 484 L N 0.584 121.832 121.223 0.041 0.000 2.127 484 L HA -0.150 4.189 4.340 -0.001 0.000 0.211 484 L C 2.896 179.726 176.870 -0.067 0.000 1.089 484 L CA 1.064 55.894 54.840 -0.017 0.000 0.757 484 L CB -0.408 41.680 42.059 0.049 0.000 0.899 484 L HN 0.305 nan 8.230 nan 0.000 0.434 485 A N -0.933 121.863 122.820 -0.040 0.000 2.209 485 A HA -0.034 4.286 4.320 -0.001 0.000 0.212 485 A C 0.846 178.403 177.584 -0.044 0.000 1.158 485 A CA 0.159 52.180 52.037 -0.026 0.000 0.742 485 A CB -0.544 18.456 19.000 -0.000 0.000 0.790 485 A HN 0.368 nan 8.150 nan 0.000 0.472 486 N N 1.548 120.197 118.700 -0.085 0.000 2.395 486 N HA 0.144 4.883 4.740 -0.001 0.000 0.246 486 N C -2.654 172.837 175.510 -0.031 0.000 1.246 486 N CA -0.720 52.291 53.050 -0.065 0.000 0.879 486 N CB 0.102 38.526 38.487 -0.104 0.000 1.098 486 N HN 0.242 nan 8.380 nan 0.000 0.444 487 P HA 0.058 nan 4.420 nan 0.000 0.275 487 P C 0.618 177.975 177.300 0.096 0.000 1.227 487 P CA -0.237 62.879 63.100 0.027 0.000 0.781 487 P CB 1.002 32.708 31.700 0.009 0.000 0.906 488 V N 2.329 122.293 119.914 0.082 0.000 2.649 488 V HA -0.119 4.000 4.120 -0.001 0.000 0.248 488 V C 2.442 178.625 176.094 0.148 0.000 1.054 488 V CA 2.440 64.821 62.300 0.135 0.000 1.073 488 V CB -1.418 30.438 31.823 0.056 0.000 0.699 488 V HN 0.679 nan 8.190 nan 0.000 0.463 489 T N -1.771 112.820 114.554 0.061 0.000 3.113 489 T HA -0.122 4.227 4.350 -0.001 0.000 0.263 489 T C 1.527 176.211 174.700 -0.027 0.000 1.143 489 T CA 1.290 63.405 62.100 0.024 0.000 1.090 489 T CB -0.604 68.270 68.868 0.010 0.000 0.922 489 T HN 0.591 nan 8.240 nan 0.000 0.521 490 T N -1.083 113.411 114.554 -0.099 0.000 3.194 490 T HA 0.064 4.413 4.350 -0.001 0.000 0.251 490 T C 0.879 175.294 174.700 -0.474 0.000 1.132 490 T CA 0.016 61.959 62.100 -0.261 0.000 1.028 490 T CB -0.458 68.220 68.868 -0.317 0.000 0.976 490 T HN 0.511 nan 8.240 nan 0.000 0.535 491 H N 0.602 119.671 119.070 -0.002 0.000 2.486 491 H HA 0.376 4.932 4.556 -0.001 0.000 0.284 491 H C 0.120 175.451 175.328 0.005 0.000 1.103 491 H CA -0.469 55.580 56.048 0.001 0.000 1.089 491 H CB 0.230 29.991 29.762 -0.002 0.000 1.603 491 H HN 0.257 nan 8.280 nan 0.000 0.557 492 V N 2.988 122.919 119.914 0.029 0.000 2.599 492 V HA -0.057 4.063 4.120 -0.001 0.000 0.300 492 V C 0.587 176.701 176.094 0.034 0.000 1.034 492 V CA 0.302 62.623 62.300 0.034 0.000 1.115 492 V CB 0.920 32.752 31.823 0.015 0.000 0.934 492 V HN 0.299 nan 8.190 nan 0.000 0.485 493 Q N 6.415 126.240 119.800 0.041 0.000 2.297 493 Q HA 0.399 4.739 4.340 -0.001 0.000 0.268 493 Q C -2.307 173.711 176.000 0.029 0.000 1.045 493 Q CA -2.280 53.544 55.803 0.035 0.000 0.861 493 Q CB 1.487 30.248 28.738 0.039 0.000 1.344 493 Q HN 0.457 nan 8.270 nan 0.000 0.452 494 P HA 0.136 nan 4.420 nan 0.000 0.230 494 P C -0.695 176.619 177.300 0.023 0.000 1.791 494 P CA 0.074 63.188 63.100 0.022 0.000 1.020 494 P CB -0.472 31.239 31.700 0.018 0.000 1.977 495 A N 1.551 124.387 122.820 0.026 0.000 2.445 495 A HA 0.220 4.539 4.320 -0.001 0.000 0.242 495 A C 0.715 178.312 177.584 0.022 0.000 1.075 495 A CA 0.084 52.136 52.037 0.025 0.000 0.777 495 A CB -0.165 18.853 19.000 0.029 0.000 1.013 495 A HN 0.549 nan 8.150 nan 0.000 0.493 499 N N 0.984 119.696 118.700 0.020 0.000 2.120 499 N HA -0.141 4.599 4.740 -0.001 0.000 0.188 499 N C 1.029 176.564 175.510 0.042 0.000 1.024 499 N CA 1.952 55.018 53.050 0.027 0.000 0.852 499 N CB -0.107 38.390 38.487 0.017 0.000 1.003 499 N HN 0.631 nan 8.380 nan 0.000 0.424 500 Q N -0.478 119.344 119.800 0.037 0.000 2.526 500 Q HA 0.359 4.698 4.340 -0.001 0.000 0.353 500 Q C 0.603 176.631 176.000 0.047 0.000 0.977 500 Q CA -0.217 55.616 55.803 0.051 0.000 1.027 500 Q CB 0.689 29.450 28.738 0.039 0.000 1.272 500 Q HN 0.375 nan 8.270 nan 0.000 0.420 501 A N 0.663 123.508 122.820 0.042 0.000 2.019 501 A HA -0.033 4.287 4.320 -0.001 0.000 0.219 501 A C 1.179 178.783 177.584 0.034 0.000 1.164 501 A CA 0.825 52.882 52.037 0.033 0.000 0.644 501 A CB 0.014 19.030 19.000 0.027 0.000 0.805 501 A HN 0.331 nan 8.150 nan 0.000 0.449 502 V N -0.459 119.481 119.914 0.043 0.000 2.459 502 V HA 0.686 4.806 4.120 -0.001 0.000 0.295 502 V C -1.079 175.051 176.094 0.060 0.000 1.029 502 V CA -0.705 61.621 62.300 0.042 0.000 0.874 502 V CB 0.901 32.745 31.823 0.034 0.000 0.985 502 V HN 0.593 nan 8.190 nan 0.000 0.438 503 N N 1.754 120.487 118.700 0.054 0.000 2.308 503 N HA 0.452 5.191 4.740 -0.001 0.000 0.283 503 N C 0.407 175.949 175.510 0.054 0.000 1.105 503 N CA -0.184 52.906 53.050 0.066 0.000 0.840 503 N CB 2.034 40.558 38.487 0.061 0.000 1.633 503 N HN 0.593 nan 8.380 nan 0.000 0.476 504 S N 1.696 117.431 115.700 0.059 0.000 2.436 504 S HA -0.003 4.466 4.470 -0.001 0.000 0.228 504 S C 0.910 175.534 174.600 0.040 0.000 1.014 504 S CA 0.316 58.544 58.200 0.046 0.000 0.950 504 S CB -0.783 62.446 63.200 0.048 0.000 0.784 504 S HN 0.669 nan 8.310 nan 0.000 0.504 505 L N -0.344 120.904 121.223 0.043 0.000 4.001 505 L HA -0.293 4.046 4.340 -0.001 0.000 0.413 505 L C 1.776 178.664 176.870 0.031 0.000 1.185 505 L CA 0.151 55.014 54.840 0.038 0.000 0.963 505 L CB -2.553 39.533 42.059 0.044 0.000 1.976 505 L HN 0.456 nan 8.230 nan 0.000 0.939 506 A N 0.009 122.847 122.820 0.031 0.000 1.908 506 A HA -0.171 4.148 4.320 -0.001 0.000 0.218 506 A C 1.959 179.552 177.584 0.016 0.000 1.181 506 A CA 2.062 54.113 52.037 0.023 0.000 0.627 506 A CB -0.180 18.835 19.000 0.025 0.000 0.818 506 A HN 0.427 nan 8.150 nan 0.000 0.445 507 L N -0.083 121.150 121.223 0.016 0.000 2.056 507 L HA -0.055 4.285 4.340 -0.001 0.000 0.207 507 L C 2.204 179.077 176.870 0.004 0.000 1.078 507 L CA 1.585 56.429 54.840 0.008 0.000 0.749 507 L CB -0.472 41.590 42.059 0.006 0.000 0.901 507 L HN 0.440 nan 8.230 nan 0.000 0.433 508 I N -1.453 119.122 120.570 0.008 0.000 2.226 508 I HA -0.300 3.869 4.170 -0.001 0.000 0.245 508 I C 2.654 178.775 176.117 0.005 0.000 1.100 508 I CA 1.463 62.766 61.300 0.005 0.000 1.374 508 I CB -0.549 37.456 38.000 0.009 0.000 1.057 508 I HN 0.289 nan 8.210 nan 0.000 0.413 509 S N 0.490 116.197 115.700 0.011 0.000 2.356 509 S HA -0.203 4.266 4.470 -0.001 0.000 0.223 509 S C 2.255 176.857 174.600 0.003 0.000 1.032 509 S CA 1.477 59.682 58.200 0.009 0.000 1.005 509 S CB -0.271 62.937 63.200 0.013 0.000 0.867 509 S HN 0.481 nan 8.310 nan 0.000 0.449 510 A N 1.545 124.367 122.820 0.003 0.000 1.940 510 A HA -0.143 4.177 4.320 -0.001 0.000 0.219 510 A C 2.204 179.787 177.584 -0.002 0.000 1.176 510 A CA 1.670 53.706 52.037 -0.001 0.000 0.631 510 A CB -0.625 18.373 19.000 -0.003 0.000 0.814 510 A HN 0.620 nan 8.150 nan 0.000 0.446 511 R N -1.130 119.369 120.500 -0.003 0.000 2.081 511 R HA -0.077 4.262 4.340 -0.001 0.000 0.235 511 R C 2.379 178.679 176.300 0.001 0.000 1.131 511 R CA 1.327 57.425 56.100 -0.004 0.000 0.960 511 R CB -0.247 30.049 30.300 -0.007 0.000 0.856 511 R HN 0.323 nan 8.270 nan 0.000 0.436 512 R N -0.067 120.434 120.500 0.002 0.000 2.092 512 R HA -0.022 4.318 4.340 -0.001 0.000 0.231 512 R C 2.172 178.477 176.300 0.008 0.000 1.119 512 R CA 1.457 57.560 56.100 0.005 0.000 0.970 512 R CB -0.984 29.315 30.300 -0.001 0.000 0.864 512 R HN 0.248 nan 8.270 nan 0.000 0.440 513 T N 0.769 115.325 114.554 0.004 0.000 2.788 513 T HA -0.094 4.255 4.350 -0.001 0.000 0.268 513 T C 1.745 176.449 174.700 0.007 0.000 1.044 513 T CA 1.871 63.973 62.100 0.004 0.000 1.139 513 T CB -0.234 68.633 68.868 -0.002 0.000 0.867 513 T HN 0.297 nan 8.240 nan 0.000 0.454 514 T N 1.533 116.091 114.554 0.006 0.000 2.788 514 T HA -0.101 4.248 4.350 -0.001 0.000 0.268 514 T C 1.906 176.616 174.700 0.016 0.000 1.044 514 T CA 1.310 63.415 62.100 0.008 0.000 1.139 514 T CB -0.207 68.662 68.868 0.002 0.000 0.867 514 T HN 0.543 nan 8.240 nan 0.000 0.454 515 E N 0.693 120.903 120.200 0.017 0.000 2.077 515 E HA -0.121 4.229 4.350 -0.001 0.000 0.193 515 E C 2.317 178.935 176.600 0.031 0.000 0.989 515 E CA 1.162 57.577 56.400 0.025 0.000 0.800 515 E CB -0.050 29.666 29.700 0.025 0.000 0.746 515 E HN 0.320 nan 8.360 nan 0.000 0.452 516 S N 0.793 116.510 115.700 0.029 0.000 2.382 516 S HA -0.124 4.345 4.470 -0.001 0.000 0.228 516 S C 1.641 176.261 174.600 0.034 0.000 1.027 516 S CA 0.930 59.150 58.200 0.034 0.000 0.991 516 S CB -0.322 62.896 63.200 0.030 0.000 0.823 516 S HN 0.326 nan 8.310 nan 0.000 0.469 517 N N 1.545 120.262 118.700 0.028 0.000 2.104 517 N HA -0.135 4.604 4.740 -0.001 0.000 0.190 517 N C 1.462 176.997 175.510 0.042 0.000 1.024 517 N CA 1.339 54.407 53.050 0.030 0.000 0.853 517 N CB -0.624 37.876 38.487 0.022 0.000 1.008 517 N HN 0.382 nan 8.380 nan 0.000 0.424 518 D N 0.285 120.714 120.400 0.049 0.000 2.097 518 D HA -0.059 4.580 4.640 -0.001 0.000 0.197 518 D C 1.915 178.258 176.300 0.072 0.000 0.984 518 D CA 0.611 54.665 54.000 0.091 0.000 0.826 518 D CB -0.001 40.852 40.800 0.088 0.000 0.973 518 D HN -0.038 nan 8.370 nan 0.000 0.460 519 V N 0.559 120.482 119.914 0.015 0.000 2.358 519 V HA -0.157 3.962 4.120 -0.001 0.000 0.246 519 V C 2.494 178.550 176.094 -0.063 0.000 1.047 519 V CA 1.199 63.464 62.300 -0.059 0.000 1.035 519 V CB -0.493 31.332 31.823 0.003 0.000 0.658 519 V HN 0.249 nan 8.190 nan 0.000 0.452 520 L N 0.242 121.476 121.223 0.019 0.000 2.083 520 L HA -0.115 4.224 4.340 -0.001 0.000 0.209 520 L C 2.483 179.385 176.870 0.053 0.000 1.083 520 L CA 1.982 56.854 54.840 0.052 0.000 0.752 520 L CB -0.702 41.399 42.059 0.070 0.000 0.899 520 L HN 0.274 nan 8.230 nan 0.000 0.433 521 S N -0.427 115.313 115.700 0.066 0.000 2.370 521 S HA -0.166 4.304 4.470 -0.001 0.000 0.226 521 S C 1.925 176.619 174.600 0.157 0.000 1.033 521 S CA 1.660 59.932 58.200 0.121 0.000 1.011 521 S CB -0.462 62.810 63.200 0.121 0.000 0.852 521 S HN 0.468 nan 8.310 nan 0.000 0.457 522 L N 0.601 121.819 121.223 -0.009 0.000 2.046 522 L HA -0.126 4.213 4.340 -0.001 0.000 0.208 522 L C 2.412 179.136 176.870 -0.244 0.000 1.077 522 L CA 0.852 55.483 54.840 -0.349 0.000 0.747 522 L CB -0.516 40.927 42.059 -1.027 0.000 0.896 522 L HN 0.286 nan 8.230 nan 0.000 0.432 523 L N -0.230 120.911 121.223 -0.137 0.000 2.027 523 L HA -0.171 4.168 4.340 -0.001 0.000 0.206 523 L C 2.284 179.297 176.870 0.238 0.000 1.074 523 L CA 1.712 56.682 54.840 0.218 0.000 0.745 523 L CB -0.439 41.772 42.059 0.254 0.000 0.898 523 L HN 0.095 nan 8.230 nan 0.000 0.433 524 L N -0.608 120.726 121.223 0.184 0.000 2.093 524 L HA -0.142 4.197 4.340 -0.001 0.000 0.208 524 L C 2.662 179.644 176.870 0.186 0.000 1.085 524 L CA 1.049 56.004 54.840 0.191 0.000 0.755 524 L CB -1.081 41.057 42.059 0.132 0.000 0.904 524 L HN 0.386 nan 8.230 nan 0.000 0.435 525 A N -0.143 122.783 122.820 0.177 0.000 1.902 525 A HA -0.183 4.137 4.320 -0.001 0.000 0.217 525 A C 2.377 180.095 177.584 0.222 0.000 1.181 525 A CA 2.274 54.426 52.037 0.193 0.000 0.623 525 A CB -0.823 18.302 19.000 0.209 0.000 0.818 525 A HN 0.356 nan 8.150 nan 0.000 0.443 526 T N -1.565 113.125 114.554 0.227 0.000 2.746 526 T HA -0.156 4.193 4.350 -0.001 0.000 0.267 526 T C 1.819 176.703 174.700 0.307 0.000 1.039 526 T CA 1.593 63.843 62.100 0.251 0.000 1.142 526 T CB -0.443 68.599 68.868 0.291 0.000 0.866 526 T HN 0.774 nan 8.240 nan 0.000 0.444 527 H N -0.040 119.133 119.070 0.171 0.000 2.353 527 H HA -0.037 4.518 4.556 -0.001 0.000 0.300 527 H C 2.301 177.699 175.328 0.117 0.000 1.090 527 H CA 0.867 56.991 56.048 0.127 0.000 1.327 527 H CB -0.075 29.753 29.762 0.110 0.000 1.383 527 H HN 0.134 nan 8.280 nan 0.000 0.508 528 L N 0.476 121.819 121.223 0.200 0.000 2.046 528 L HA -0.188 4.151 4.340 -0.001 0.000 0.208 528 L C 2.204 179.158 176.870 0.140 0.000 1.077 528 L CA 1.695 56.594 54.840 0.098 0.000 0.747 528 L CB -1.200 40.917 42.059 0.098 0.000 0.896 528 L HN 0.357 nan 8.230 nan 0.000 0.432 529 Y N -0.552 119.803 120.300 0.091 0.000 2.128 529 Y HA -0.340 4.210 4.550 -0.001 0.000 0.284 529 Y C 2.628 178.564 175.900 0.061 0.000 1.154 529 Y CA 2.301 60.446 58.100 0.074 0.000 1.149 529 Y CB -0.666 37.844 38.460 0.084 0.000 0.976 529 Y HN 0.302 nan 8.280 nan 0.000 0.505 530 C N -1.349 118.083 119.300 0.219 0.000 2.446 530 C HA -0.119 4.340 4.460 -0.001 0.000 0.277 530 C C 2.855 177.847 174.990 0.003 0.000 1.275 530 C CA 0.996 60.064 59.018 0.084 0.000 1.727 530 C CB -1.186 26.629 27.740 0.126 0.000 2.010 530 C HN 0.558 nan 8.230 nan 0.000 0.486 531 V N 0.907 120.865 119.914 0.074 0.000 2.515 531 V HA -0.141 3.978 4.120 -0.001 0.000 0.250 531 V C 2.120 178.198 176.094 -0.026 0.000 1.058 531 V CA 1.769 64.086 62.300 0.029 0.000 1.064 531 V CB -0.353 31.496 31.823 0.042 0.000 0.675 531 V HN 0.581 nan 8.190 nan 0.000 0.461 532 L N -0.589 120.612 121.223 -0.037 0.000 2.056 532 L HA -0.173 4.166 4.340 -0.001 0.000 0.207 532 L C 2.574 179.422 176.870 -0.035 0.000 1.078 532 L CA 1.869 56.700 54.840 -0.015 0.000 0.749 532 L CB -0.707 41.286 42.059 -0.110 0.000 0.901 532 L HN 0.359 nan 8.230 nan 0.000 0.433 533 Q N 0.557 120.278 119.800 -0.132 0.000 2.061 533 Q HA -0.217 4.122 4.340 -0.001 0.000 0.204 533 Q C 2.216 178.169 176.000 -0.078 0.000 0.984 533 Q CA 2.242 57.995 55.803 -0.084 0.000 0.846 533 Q CB -0.261 28.425 28.738 -0.087 0.000 0.902 533 Q HN 0.436 nan 8.270 nan 0.000 0.421 534 A N 0.164 122.925 122.820 -0.098 0.000 1.908 534 A HA -0.174 4.145 4.320 -0.001 0.000 0.218 534 A C 2.155 179.613 177.584 -0.211 0.000 1.181 534 A CA 1.601 53.556 52.037 -0.137 0.000 0.627 534 A CB -0.821 18.102 19.000 -0.128 0.000 0.818 534 A HN 0.508 nan 8.150 nan 0.000 0.445 535 I N -0.137 120.311 120.570 -0.203 0.000 2.163 535 I HA -0.273 3.896 4.170 -0.001 0.000 0.243 535 I C 1.971 178.002 176.117 -0.144 0.000 1.085 535 I CA 1.637 62.757 61.300 -0.299 0.000 1.347 535 I CB -0.417 37.506 38.000 -0.129 0.000 1.044 535 I HN 0.277 nan 8.210 nan 0.000 0.408 536 D N 0.638 121.021 120.400 -0.027 0.000 2.117 536 D HA -0.139 4.501 4.640 -0.001 0.000 0.197 536 D C 2.333 178.460 176.300 -0.289 0.000 0.987 536 D CA 1.293 55.254 54.000 -0.065 0.000 0.829 536 D CB -0.203 40.582 40.800 -0.025 0.000 0.961 536 D HN 0.307 nan 8.370 nan 0.000 0.460 537 L N 0.139 121.205 121.223 -0.261 0.000 2.093 537 L HA -0.103 4.237 4.340 -0.001 0.000 0.208 537 L C 2.505 179.236 176.870 -0.231 0.000 1.085 537 L CA 0.600 55.285 54.840 -0.259 0.000 0.755 537 L CB -0.181 41.775 42.059 -0.173 0.000 0.904 537 L HN -0.076 nan 8.230 nan 0.000 0.435 538 R N 0.700 121.036 120.500 -0.273 0.000 2.092 538 R HA -0.091 4.248 4.340 -0.001 0.000 0.231 538 R C 2.232 178.303 176.300 -0.382 0.000 1.119 538 R CA 1.526 57.407 56.100 -0.366 0.000 0.970 538 R CB -0.533 29.424 30.300 -0.572 0.000 0.864 538 R HN 0.303 nan 8.270 nan 0.000 0.440 539 A N 0.418 123.144 122.820 -0.157 0.000 1.902 539 A HA -0.110 4.210 4.320 -0.001 0.000 0.217 539 A C 2.248 179.857 177.584 0.042 0.000 1.181 539 A CA 1.611 53.652 52.037 0.007 0.000 0.623 539 A CB -0.603 18.548 19.000 0.252 0.000 0.818 539 A HN 0.355 nan 8.150 nan 0.000 0.443 540 I N -0.503 120.027 120.570 -0.067 0.000 2.208 540 I HA -0.291 3.879 4.170 -0.001 0.000 0.245 540 I C 2.599 178.765 176.117 0.082 0.000 1.097 540 I CA 1.879 63.156 61.300 -0.038 0.000 1.363 540 I CB -0.350 37.515 38.000 -0.224 0.000 1.051 540 I HN 0.575 nan 8.210 nan 0.000 0.413 541 E N 1.076 121.299 120.200 0.038 0.000 2.058 541 E HA -0.248 4.102 4.350 -0.001 0.000 0.194 541 E C 2.273 179.109 176.600 0.394 0.000 0.997 541 E CA 1.617 58.119 56.400 0.170 0.000 0.801 541 E CB -0.066 29.695 29.700 0.100 0.000 0.746 541 E HN 0.302 nan 8.360 nan 0.000 0.450 542 F N 1.717 121.680 119.950 0.022 0.000 2.134 542 F HA -0.136 4.390 4.527 -0.001 0.000 0.299 542 F C 2.478 178.337 175.800 0.098 0.000 1.097 542 F CA 1.040 59.013 58.000 -0.045 0.000 1.264 542 F CB -0.773 37.941 39.000 -0.478 0.000 1.001 542 F HN 0.086 nan 8.300 nan 0.000 0.479 543 E N -0.429 119.990 120.200 0.365 0.000 2.077 543 E HA -0.238 4.112 4.350 -0.001 0.000 0.193 543 E C 2.247 179.001 176.600 0.257 0.000 0.989 543 E CA 1.048 57.628 56.400 0.300 0.000 0.800 543 E CB -0.998 28.863 29.700 0.268 0.000 0.746 543 E HN 0.420 nan 8.360 nan 0.000 0.452 544 F N 2.288 122.324 119.950 0.144 0.000 2.095 544 F HA -0.196 4.330 4.527 -0.001 0.000 0.298 544 F C 2.139 178.041 175.800 0.170 0.000 1.104 544 F CA 1.635 59.705 58.000 0.116 0.000 1.232 544 F CB 0.010 39.058 39.000 0.081 0.000 0.987 544 F HN -0.136 nan 8.300 nan 0.000 0.475 545 K N 0.346 120.911 120.400 0.276 0.000 2.103 545 K HA -0.195 4.124 4.320 -0.001 0.000 0.207 545 K C 2.022 178.657 176.600 0.058 0.000 1.048 545 K CA 1.690 58.098 56.287 0.201 0.000 0.930 545 K CB -0.200 32.444 32.500 0.240 0.000 0.716 545 K HN 0.320 nan 8.250 nan 0.000 0.444 546 K N 0.788 121.222 120.400 0.056 0.000 2.074 546 K HA -0.225 4.094 4.320 -0.001 0.000 0.209 546 K C 2.141 178.731 176.600 -0.018 0.000 1.048 546 K CA 1.713 58.015 56.287 0.025 0.000 0.926 546 K CB -0.048 32.488 32.500 0.061 0.000 0.713 546 K HN 0.251 nan 8.250 nan 0.000 0.444 547 Q N -0.853 118.914 119.800 -0.056 0.000 2.302 547 Q HA -0.017 4.323 4.340 -0.001 0.000 0.202 547 Q C 1.775 177.702 176.000 -0.122 0.000 0.936 547 Q CA 0.411 56.160 55.803 -0.090 0.000 0.886 547 Q CB 0.010 28.695 28.738 -0.090 0.000 0.986 547 Q HN 0.183 nan 8.270 nan 0.000 0.487 548 F N 1.256 120.933 119.950 -0.454 0.000 2.146 548 F HA 0.005 4.532 4.527 -0.001 0.000 0.298 548 F C 1.960 177.650 175.800 -0.184 0.000 1.096 548 F CA 1.546 59.261 58.000 -0.476 0.000 1.275 548 F CB -0.752 37.772 39.000 -0.794 0.000 1.008 548 F HN 0.024 nan 8.300 nan 0.000 0.480 549 G N 0.840 109.532 108.800 -0.180 0.000 2.480 549 G HA2 -0.239 3.720 3.960 -0.001 0.000 0.216 549 G HA3 -0.239 3.720 3.960 -0.001 0.000 0.216 549 G C -0.593 174.202 174.900 -0.175 0.000 1.200 549 G CA 0.973 45.943 45.100 -0.218 0.000 0.782 549 G HN 0.296 nan 8.290 nan 0.000 0.554 550 P HA -0.023 nan 4.420 nan 0.000 0.218 550 P C 2.060 179.312 177.300 -0.079 0.000 1.148 550 P CA 1.837 64.891 63.100 -0.077 0.000 0.822 550 P CB -0.143 31.524 31.700 -0.054 0.000 0.784 551 A N -0.772 121.988 122.820 -0.100 0.000 1.930 551 A HA -0.143 4.177 4.320 -0.001 0.000 0.217 551 A C 2.199 179.735 177.584 -0.080 0.000 1.175 551 A CA 1.185 53.178 52.037 -0.073 0.000 0.627 551 A CB -1.521 17.455 19.000 -0.039 0.000 0.815 551 A HN 0.110 nan 8.150 nan 0.000 0.443 552 I N -0.466 120.002 120.570 -0.171 0.000 2.179 552 I HA -0.228 3.942 4.170 -0.001 0.000 0.242 552 I C 2.336 178.476 176.117 0.038 0.000 1.088 552 I CA 1.246 62.495 61.300 -0.085 0.000 1.357 552 I CB -0.275 37.579 38.000 -0.244 0.000 1.051 552 I HN 0.158 nan 8.210 nan 0.000 0.409 553 V N -0.267 119.637 119.914 -0.017 0.000 2.358 553 V HA -0.277 3.842 4.120 -0.001 0.000 0.246 553 V C 2.574 178.685 176.094 0.028 0.000 1.047 553 V CA 2.145 64.452 62.300 0.013 0.000 1.035 553 V CB -0.521 31.292 31.823 -0.016 0.000 0.658 553 V HN 0.473 nan 8.190 nan 0.000 0.452 554 S N -0.427 115.279 115.700 0.010 0.000 2.368 554 S HA -0.129 4.341 4.470 -0.001 0.000 0.225 554 S C 1.945 176.573 174.600 0.047 0.000 1.030 554 S CA 1.569 59.777 58.200 0.013 0.000 0.999 554 S CB -0.274 62.922 63.200 -0.006 0.000 0.844 554 S HN 0.510 nan 8.310 nan 0.000 0.459 555 L N 0.624 121.898 121.223 0.084 0.000 2.109 555 L HA 0.022 4.361 4.340 -0.001 0.000 0.207 555 L C 2.387 179.393 176.870 0.226 0.000 1.086 555 L CA 0.916 55.871 54.840 0.192 0.000 0.760 555 L CB -0.451 41.670 42.059 0.103 0.000 0.910 555 L HN 0.355 nan 8.230 nan 0.000 0.437 556 I N -0.001 120.675 120.570 0.178 0.000 2.208 556 I HA -0.329 3.841 4.170 -0.001 0.000 0.245 556 I C 2.094 178.198 176.117 -0.020 0.000 1.097 556 I CA 1.328 62.622 61.300 -0.009 0.000 1.363 556 I CB -0.280 37.782 38.000 0.103 0.000 1.051 556 I HN 0.285 nan 8.210 nan 0.000 0.413 557 D N 0.044 120.460 120.400 0.027 0.000 2.117 557 D HA -0.226 4.414 4.640 -0.001 0.000 0.198 557 D C 2.042 178.338 176.300 -0.006 0.000 0.982 557 D CA 1.090 55.101 54.000 0.019 0.000 0.828 557 D CB -0.238 40.571 40.800 0.014 0.000 0.967 557 D HN 0.419 nan 8.370 nan 0.000 0.464 558 Q N -0.312 119.476 119.800 -0.020 0.000 2.046 558 Q HA -0.164 4.175 4.340 -0.001 0.000 0.200 558 Q C 1.899 177.794 176.000 -0.175 0.000 0.975 558 Q CA 1.223 56.972 55.803 -0.089 0.000 0.836 558 Q CB 0.099 28.777 28.738 -0.100 0.000 0.896 558 Q HN 0.454 nan 8.270 nan 0.000 0.428 559 H N -1.684 117.262 119.070 -0.208 0.000 2.415 559 H HA -0.026 4.530 4.556 -0.001 0.000 0.297 559 H C 1.025 176.248 175.328 -0.174 0.000 1.048 559 H CA 1.085 56.943 56.048 -0.317 0.000 1.365 559 H CB 0.411 29.773 29.762 -0.666 0.000 1.421 559 H HN 0.318 nan 8.280 nan 0.000 0.533 560 F N -0.722 119.259 119.950 0.052 0.000 2.724 560 F HA 0.271 4.797 4.527 -0.001 0.000 0.306 560 F C 2.388 178.170 175.800 -0.030 0.000 1.100 560 F CA 0.058 58.039 58.000 -0.032 0.000 1.255 560 F CB -0.607 38.310 39.000 -0.138 0.000 1.072 560 F HN 0.044 nan 8.300 nan 0.000 0.589 561 G N 0.263 109.138 108.800 0.125 0.000 2.476 561 G HA2 -0.277 3.683 3.960 -0.001 0.000 0.218 561 G HA3 -0.277 3.683 3.960 -0.001 0.000 0.218 561 G C 1.874 176.806 174.900 0.053 0.000 1.164 561 G CA 1.527 46.668 45.100 0.067 0.000 0.768 561 G HN 0.327 nan 8.290 nan 0.000 0.560 562 S N 0.895 116.625 115.700 0.049 0.000 2.368 562 S HA 0.169 4.639 4.470 -0.001 0.000 0.225 562 S C 1.820 176.443 174.600 0.037 0.000 1.030 562 S CA 0.689 58.910 58.200 0.035 0.000 0.999 562 S CB -0.333 62.885 63.200 0.030 0.000 0.844 562 S HN 0.756 nan 8.310 nan 0.000 0.459 566 G N 2.007 110.806 108.800 -0.003 0.000 2.179 566 G HA2 -0.240 3.720 3.960 -0.001 0.000 0.260 566 G HA3 -0.240 3.720 3.960 -0.001 0.000 0.260 566 G C 0.350 175.245 174.900 -0.008 0.000 0.977 566 G CA 0.798 45.895 45.100 -0.005 0.000 0.641 566 G HN 1.710 nan 8.290 nan 0.000 0.533 567 S N -0.988 114.706 115.700 -0.010 0.000 2.745 567 S HA 0.660 5.129 4.470 -0.001 0.000 0.292 567 S C 0.515 175.107 174.600 -0.014 0.000 1.133 567 S CA -0.106 58.086 58.200 -0.014 0.000 0.998 567 S CB 1.816 65.004 63.200 -0.020 0.000 1.087 567 S HN 0.132 nan 8.310 nan 0.000 0.551 568 N N 0.172 118.862 118.700 -0.016 0.000 2.321 568 N HA 0.281 5.021 4.740 -0.001 0.000 0.242 568 N C 0.670 176.169 175.510 -0.020 0.000 1.141 568 N CA 0.004 53.044 53.050 -0.015 0.000 0.864 568 N CB -0.266 38.212 38.487 -0.014 0.000 1.100 568 N HN 0.596 nan 8.380 nan 0.000 0.510 569 L N -0.340 120.869 121.223 -0.024 0.000 2.270 569 L HA 0.050 4.390 4.340 -0.001 0.000 0.210 569 L C 2.608 179.460 176.870 -0.030 0.000 1.104 569 L CA 0.346 55.166 54.840 -0.035 0.000 0.804 569 L CB -0.172 41.857 42.059 -0.050 0.000 0.937 569 L HN 0.112 nan 8.230 nan 0.000 0.450 570 R N 0.885 121.375 120.500 -0.016 0.000 2.083 570 R HA -0.193 4.146 4.340 -0.001 0.000 0.237 570 R C 1.561 177.858 176.300 -0.005 0.000 1.137 570 R CA 2.077 58.174 56.100 -0.004 0.000 0.951 570 R CB -0.331 29.973 30.300 0.006 0.000 0.851 570 R HN 0.307 nan 8.270 nan 0.000 0.434 571 D N 0.266 120.661 120.400 -0.009 0.000 2.144 571 D HA -0.143 4.496 4.640 -0.001 0.000 0.200 571 D C 1.765 178.057 176.300 -0.013 0.000 0.978 571 D CA 0.916 54.910 54.000 -0.009 0.000 0.833 571 D CB -0.191 40.603 40.800 -0.011 0.000 0.961 571 D HN 0.439 nan 8.370 nan 0.000 0.470 572 E N 0.013 120.202 120.200 -0.018 0.000 2.058 572 E HA -0.190 4.160 4.350 -0.001 0.000 0.194 572 E C 2.073 178.659 176.600 -0.024 0.000 0.997 572 E CA 0.619 57.006 56.400 -0.022 0.000 0.801 572 E CB -0.053 29.631 29.700 -0.027 0.000 0.746 572 E HN 0.098 nan 8.360 nan 0.000 0.450 573 L N 0.379 121.585 121.223 -0.028 0.000 2.056 573 L HA -0.137 4.203 4.340 -0.001 0.000 0.207 573 L C 2.294 179.164 176.870 -0.001 0.000 1.078 573 L CA 1.253 56.074 54.840 -0.031 0.000 0.749 573 L CB -0.424 41.603 42.059 -0.054 0.000 0.901 573 L HN 0.024 nan 8.230 nan 0.000 0.433 574 V N -0.014 119.904 119.914 0.008 0.000 2.287 574 V HA -0.346 3.773 4.120 -0.001 0.000 0.248 574 V C 2.582 178.679 176.094 0.004 0.000 1.053 574 V CA 2.152 64.462 62.300 0.017 0.000 1.027 574 V CB -0.767 31.060 31.823 0.007 0.000 0.646 574 V HN 0.637 nan 8.190 nan 0.000 0.447 575 E N 0.240 120.436 120.200 -0.007 0.000 2.051 575 E HA -0.253 4.096 4.350 -0.001 0.000 0.192 575 E C 2.264 178.855 176.600 -0.016 0.000 0.991 575 E CA 1.506 57.897 56.400 -0.014 0.000 0.799 575 E CB -0.077 29.613 29.700 -0.016 0.000 0.748 575 E HN 0.571 nan 8.360 nan 0.000 0.449 576 K N -0.053 120.337 120.400 -0.017 0.000 2.155 576 K HA -0.055 4.264 4.320 -0.001 0.000 0.203 576 K C 2.144 178.731 176.600 -0.022 0.000 1.052 576 K CA 0.964 57.236 56.287 -0.025 0.000 0.948 576 K CB 0.162 32.646 32.500 -0.027 0.000 0.728 576 K HN 0.070 nan 8.250 nan 0.000 0.448 577 V N 2.189 122.110 119.914 0.013 0.000 2.358 577 V HA -0.220 3.900 4.120 -0.001 0.000 0.246 577 V C 1.779 177.885 176.094 0.020 0.000 1.047 577 V CA 1.574 63.909 62.300 0.058 0.000 1.035 577 V CB -0.479 31.448 31.823 0.173 0.000 0.658 577 V HN 0.313 nan 8.190 nan 0.000 0.452 578 N N 0.441 119.144 118.700 0.005 0.000 2.104 578 N HA -0.157 4.582 4.740 -0.001 0.000 0.190 578 N C 1.807 177.304 175.510 -0.022 0.000 1.024 578 N CA 1.357 54.399 53.050 -0.014 0.000 0.853 578 N CB -0.289 38.183 38.487 -0.024 0.000 1.008 578 N HN 0.503 nan 8.380 nan 0.000 0.424 579 K N -0.001 120.376 120.400 -0.038 0.000 2.057 579 K HA -0.038 4.282 4.320 -0.001 0.000 0.207 579 K C 1.966 178.500 176.600 -0.111 0.000 1.049 579 K CA 1.337 57.589 56.287 -0.059 0.000 0.931 579 K CB -0.366 32.100 32.500 -0.056 0.000 0.714 579 K HN 0.176 nan 8.250 nan 0.000 0.440 580 T N 2.212 116.675 114.554 -0.153 0.000 2.708 580 T HA -0.091 4.258 4.350 -0.001 0.000 0.266 580 T C 1.970 176.502 174.700 -0.280 0.000 1.037 580 T CA 1.044 62.964 62.100 -0.300 0.000 1.146 580 T CB -0.162 68.510 68.868 -0.326 0.000 0.865 580 T HN 0.100 nan 8.240 nan 0.000 0.435 581 L N 0.650 121.778 121.223 -0.158 0.000 2.027 581 L HA -0.052 4.288 4.340 -0.001 0.000 0.206 581 L C 3.084 179.918 176.870 -0.060 0.000 1.074 581 L CA 1.166 55.938 54.840 -0.114 0.000 0.745 581 L CB -0.743 41.317 42.059 0.002 0.000 0.898 581 L HN 0.229 nan 8.230 nan 0.000 0.433 582 A N 1.308 124.121 122.820 -0.011 0.000 1.892 582 A HA -0.302 4.017 4.320 -0.001 0.000 0.218 582 A C 2.326 179.884 177.584 -0.043 0.000 1.188 582 A CA 2.551 54.593 52.037 0.008 0.000 0.631 582 A CB -0.601 18.407 19.000 0.015 0.000 0.822 582 A HN 0.555 nan 8.150 nan 0.000 0.447 583 K N -1.249 119.101 120.400 -0.084 0.000 2.103 583 K HA -0.130 4.189 4.320 -0.001 0.000 0.204 583 K C 2.088 178.630 176.600 -0.096 0.000 1.052 583 K CA 1.501 57.738 56.287 -0.084 0.000 0.945 583 K CB -0.179 32.263 32.500 -0.097 0.000 0.722 583 K HN 0.226 nan 8.250 nan 0.000 0.443 584 R N 1.415 121.830 120.500 -0.141 0.000 2.073 584 R HA 0.112 4.452 4.340 -0.001 0.000 0.229 584 R C 2.101 178.300 176.300 -0.169 0.000 1.120 584 R CA 1.206 57.237 56.100 -0.114 0.000 0.967 584 R CB -0.707 29.531 30.300 -0.103 0.000 0.862 584 R HN 0.337 nan 8.270 nan 0.000 0.436 585 L N 1.316 122.419 121.223 -0.201 0.000 2.131 585 L HA -0.146 4.194 4.340 -0.001 0.000 0.210 585 L C 2.370 179.121 176.870 -0.199 0.000 1.092 585 L CA 1.866 56.540 54.840 -0.277 0.000 0.759 585 L CB -0.689 41.211 42.059 -0.265 0.000 0.903 585 L HN 0.447 nan 8.230 nan 0.000 0.435 586 E N 0.952 121.080 120.200 -0.121 0.000 2.265 586 E HA -0.291 4.058 4.350 -0.001 0.000 0.196 586 E C 1.702 178.249 176.600 -0.087 0.000 0.996 586 E CA 1.422 57.772 56.400 -0.084 0.000 0.832 586 E CB -0.123 29.549 29.700 -0.047 0.000 0.756 586 E HN 0.736 nan 8.360 nan 0.000 0.491 587 Q N 0.671 120.407 119.800 -0.106 0.000 2.217 587 Q HA 0.055 4.395 4.340 -0.001 0.000 0.217 587 Q C 0.739 176.665 176.000 -0.123 0.000 0.844 587 Q CA 0.688 56.442 55.803 -0.081 0.000 0.957 587 Q CB 0.554 29.266 28.738 -0.043 0.000 1.127 587 Q HN 0.205 nan 8.270 nan 0.000 0.503 588 T N -1.268 113.139 114.554 -0.245 0.000 3.248 588 T HA 0.111 4.461 4.350 -0.001 0.000 0.271 588 T C 0.685 175.263 174.700 -0.203 0.000 1.005 588 T CA -0.228 61.619 62.100 -0.422 0.000 0.902 588 T CB -0.243 68.081 68.868 -0.906 0.000 1.102 588 T HN 0.296 nan 8.240 nan 0.000 0.548 589 N N 0.862 119.501 118.700 -0.102 0.000 2.550 589 N HA -0.018 4.721 4.740 -0.001 0.000 0.186 589 N C 0.985 176.503 175.510 0.014 0.000 1.110 589 N CA 0.189 53.199 53.050 -0.067 0.000 0.912 589 N CB -0.322 38.123 38.487 -0.069 0.000 0.968 589 N HN 0.363 nan 8.380 nan 0.000 0.448 590 S N -0.771 114.991 115.700 0.102 0.000 2.540 590 S HA 0.174 4.643 4.470 -0.001 0.000 0.218 590 S C -0.390 174.307 174.600 0.162 0.000 0.977 590 S CA -0.541 57.730 58.200 0.119 0.000 0.918 590 S CB -0.091 63.168 63.200 0.099 0.000 0.806 590 S HN 0.204 nan 8.310 nan 0.000 0.496 591 Y N 2.935 123.202 120.300 -0.055 0.000 2.336 591 Y HA 0.292 4.841 4.550 -0.001 0.000 0.331 591 Y C 0.746 176.619 175.900 -0.045 0.000 1.211 591 Y CA -1.606 56.464 58.100 -0.050 0.000 1.346 591 Y CB 0.147 38.559 38.460 -0.080 0.000 1.271 591 Y HN 0.043 nan 8.280 nan 0.000 0.538 592 D N 1.400 121.862 120.400 0.103 0.000 2.368 592 D HA -0.030 4.609 4.640 -0.001 0.000 0.240 592 D C 1.167 177.532 176.300 0.107 0.000 1.169 592 D CA -0.188 53.861 54.000 0.081 0.000 0.906 592 D CB 0.790 41.626 40.800 0.060 0.000 1.187 592 D HN 0.487 nan 8.370 nan 0.000 0.435 593 L N 2.215 123.501 121.223 0.105 0.000 1.989 593 L HA -0.186 4.153 4.340 -0.001 0.000 0.211 593 L C 1.959 178.971 176.870 0.238 0.000 1.071 593 L CA 1.644 56.574 54.840 0.150 0.000 0.749 593 L CB -0.354 41.806 42.059 0.168 0.000 0.890 593 L HN 0.337 nan 8.230 nan 0.000 0.431 594 V N 0.961 121.009 119.914 0.224 0.000 2.261 594 V HA -0.153 3.966 4.120 -0.001 0.000 0.246 594 V C -0.251 176.052 176.094 0.347 0.000 1.047 594 V CA 2.245 64.718 62.300 0.288 0.000 1.015 594 V CB -2.002 29.955 31.823 0.223 0.000 0.642 594 V HN 0.414 nan 8.190 nan 0.000 0.446 595 P HA -0.189 nan 4.420 nan 0.000 0.218 595 P C 1.624 179.100 177.300 0.293 0.000 1.149 595 P CA 1.450 64.713 63.100 0.271 0.000 0.817 595 P CB -0.121 31.694 31.700 0.191 0.000 0.785 596 R N -0.693 119.926 120.500 0.198 0.000 2.083 596 R HA -0.151 4.188 4.340 -0.001 0.000 0.237 596 R C 2.185 178.351 176.300 -0.223 0.000 1.137 596 R CA 1.915 57.959 56.100 -0.093 0.000 0.951 596 R CB -0.725 29.396 30.300 -0.298 0.000 0.851 596 R HN 0.189 nan 8.270 nan 0.000 0.434 597 W N -0.573 120.761 121.300 0.057 0.000 2.476 597 W HA -0.030 4.630 4.660 -0.001 0.000 0.281 597 W C 2.342 178.890 176.519 0.049 0.000 1.230 597 W CA 0.415 57.782 57.345 0.038 0.000 1.287 597 W CB -0.072 29.384 29.460 -0.006 0.000 1.108 597 W HN 0.231 nan 8.180 nan 0.000 0.567 598 H N -0.468 118.801 119.070 0.330 0.000 2.387 598 H HA -0.185 4.370 4.556 -0.001 0.000 0.299 598 H C 1.829 177.281 175.328 0.206 0.000 1.090 598 H CA 1.895 58.092 56.048 0.249 0.000 1.332 598 H CB -0.624 29.242 29.762 0.174 0.000 1.386 598 H HN 0.275 nan 8.280 nan 0.000 0.516 599 D N 0.897 121.440 120.400 0.239 0.000 2.097 599 D HA -0.115 4.525 4.640 -0.001 0.000 0.195 599 D C 2.231 178.588 176.300 0.095 0.000 0.989 599 D CA 1.137 55.215 54.000 0.130 0.000 0.827 599 D CB 0.171 40.986 40.800 0.025 0.000 0.966 599 D HN 0.286 nan 8.370 nan 0.000 0.456 600 A N -0.027 122.796 122.820 0.004 0.000 1.902 600 A HA -0.139 4.180 4.320 -0.001 0.000 0.217 600 A C 2.069 179.624 177.584 -0.048 0.000 1.181 600 A CA 1.064 53.050 52.037 -0.085 0.000 0.623 600 A CB -1.038 17.800 19.000 -0.271 0.000 0.818 600 A HN 0.294 nan 8.150 nan 0.000 0.443 601 F N -0.367 119.692 119.950 0.181 0.000 2.456 601 F HA 0.000 4.527 4.527 -0.001 0.000 0.298 601 F C 2.794 178.710 175.800 0.193 0.000 1.104 601 F CA 0.994 59.071 58.000 0.129 0.000 1.435 601 F CB -0.229 38.721 39.000 -0.082 0.000 1.078 601 F HN 0.253 nan 8.300 nan 0.000 0.546 602 S N -0.210 115.683 115.700 0.322 0.000 2.368 602 S HA -0.216 4.254 4.470 -0.001 0.000 0.225 602 S C 2.183 176.968 174.600 0.309 0.000 1.030 602 S CA 1.117 59.485 58.200 0.280 0.000 0.999 602 S CB -0.566 62.758 63.200 0.206 0.000 0.844 602 S HN 0.288 nan 8.310 nan 0.000 0.459 603 F N 2.580 122.591 119.950 0.102 0.000 2.102 603 F HA 0.126 4.653 4.527 -0.001 0.000 0.298 603 F C 2.502 178.368 175.800 0.109 0.000 1.105 603 F CA 0.766 58.807 58.000 0.069 0.000 1.239 603 F CB -1.360 37.643 39.000 0.006 0.000 0.991 603 F HN 0.282 nan 8.300 nan 0.000 0.474 604 A N 0.047 123.061 122.820 0.324 0.000 1.972 604 A HA -0.025 4.295 4.320 -0.001 0.000 0.219 604 A C 2.452 180.306 177.584 0.450 0.000 1.169 604 A CA 1.670 53.893 52.037 0.309 0.000 0.635 604 A CB -1.382 17.819 19.000 0.334 0.000 0.810 604 A HN 0.403 nan 8.150 nan 0.000 0.446 605 A N -0.368 122.772 122.820 0.534 0.000 1.940 605 A HA 0.070 4.389 4.320 -0.001 0.000 0.219 605 A C 2.370 180.107 177.584 0.254 0.000 1.176 605 A CA 1.929 54.244 52.037 0.463 0.000 0.631 605 A CB -1.314 17.947 19.000 0.434 0.000 0.814 605 A HN 0.731 nan 8.150 nan 0.000 0.446 606 G N -1.236 107.719 108.800 0.259 0.000 2.422 606 G HA2 -0.143 3.817 3.960 -0.001 0.000 0.218 606 G HA3 -0.143 3.817 3.960 -0.001 0.000 0.218 606 G C 1.544 176.529 174.900 0.141 0.000 1.146 606 G CA 1.592 46.808 45.100 0.193 0.000 0.769 606 G HN 0.434 nan 8.290 nan 0.000 0.547 607 T N 0.846 115.491 114.554 0.151 0.000 2.746 607 T HA -0.101 4.248 4.350 -0.001 0.000 0.267 607 T C 2.559 177.258 174.700 -0.003 0.000 1.039 607 T CA 1.169 63.307 62.100 0.063 0.000 1.142 607 T CB -0.212 68.681 68.868 0.042 0.000 0.866 607 T HN 0.072 nan 8.240 nan 0.000 0.444 608 V N 1.249 121.150 119.914 -0.021 0.000 2.343 608 V HA -0.155 3.964 4.120 -0.001 0.000 0.247 608 V C 2.661 178.654 176.094 -0.168 0.000 1.051 608 V CA 1.265 63.453 62.300 -0.188 0.000 1.036 608 V CB -0.755 30.870 31.823 -0.330 0.000 0.654 608 V HN 0.309 nan 8.190 nan 0.000 0.451 609 V N -0.003 119.870 119.914 -0.068 0.000 2.324 609 V HA -0.339 3.781 4.120 -0.001 0.000 0.250 609 V C 2.441 178.504 176.094 -0.052 0.000 1.060 609 V CA 2.567 64.837 62.300 -0.050 0.000 1.042 609 V CB -0.514 31.313 31.823 0.007 0.000 0.650 609 V HN 0.709 nan 8.190 nan 0.000 0.450 610 E N -0.196 119.986 120.200 -0.032 0.000 2.028 610 E HA -0.154 4.195 4.350 -0.001 0.000 0.190 610 E C 2.214 178.782 176.600 -0.053 0.000 0.984 610 E CA 1.507 57.891 56.400 -0.027 0.000 0.800 610 E CB 0.006 29.703 29.700 -0.005 0.000 0.758 610 E HN 0.378 nan 8.360 nan 0.000 0.448 611 V N 1.446 121.317 119.914 -0.071 0.000 2.407 611 V HA -0.197 3.923 4.120 -0.001 0.000 0.248 611 V C 2.049 178.076 176.094 -0.112 0.000 1.055 611 V CA 1.269 63.518 62.300 -0.085 0.000 1.049 611 V CB -0.260 31.509 31.823 -0.090 0.000 0.662 611 V HN 0.355 nan 8.190 nan 0.000 0.455 612 L N 0.843 121.969 121.223 -0.163 0.000 2.728 612 L HA 0.125 4.465 4.340 -0.001 0.000 0.235 612 L C 2.172 178.959 176.870 -0.137 0.000 1.197 612 L CA 0.445 55.172 54.840 -0.189 0.000 0.992 612 L CB -0.241 41.614 42.059 -0.340 0.000 1.263 612 L HN 0.447 nan 8.230 nan 0.000 0.484 613 S N -0.975 114.669 115.700 -0.094 0.000 2.442 613 S HA -0.168 4.301 4.470 -0.001 0.000 0.236 613 S C 1.995 176.562 174.600 -0.054 0.000 1.007 613 S CA 1.236 59.396 58.200 -0.066 0.000 0.965 613 S CB -0.245 62.928 63.200 -0.044 0.000 0.773 613 S HN 0.569 nan 8.310 nan 0.000 0.504 614 S N 1.210 116.877 115.700 -0.056 0.000 2.558 614 S HA 0.096 4.565 4.470 -0.001 0.000 0.217 614 S C 0.985 175.559 174.600 -0.044 0.000 0.975 614 S CA 0.190 58.365 58.200 -0.042 0.000 0.912 614 S CB -0.889 62.289 63.200 -0.037 0.000 0.776 614 S HN 0.775 nan 8.310 nan 0.000 0.526 615 T N 0.172 114.690 114.554 -0.061 0.000 2.824 615 T HA 0.437 4.787 4.350 -0.001 0.000 0.277 615 T C 1.019 175.694 174.700 -0.042 0.000 0.975 615 T CA -0.046 62.020 62.100 -0.057 0.000 0.966 615 T CB 1.260 70.076 68.868 -0.087 0.000 1.054 615 T HN 0.266 nan 8.240 nan 0.000 0.533 616 S N -0.091 115.594 115.700 -0.026 0.000 2.605 616 S HA 0.213 4.682 4.470 -0.001 0.000 0.217 616 S C 0.608 175.209 174.600 0.001 0.000 0.958 616 S CA -0.621 57.574 58.200 -0.009 0.000 0.919 616 S CB -0.838 62.363 63.200 0.002 0.000 0.780 616 S HN 0.605 nan 8.310 nan 0.000 0.507 617 L N 3.552 124.766 121.223 -0.014 0.000 2.499 617 L HA 0.191 4.531 4.340 -0.001 0.000 0.273 617 L C 1.004 177.888 176.870 0.024 0.000 1.195 617 L CA -0.390 54.458 54.840 0.012 0.000 0.882 617 L CB 0.510 42.545 42.059 -0.041 0.000 1.133 617 L HN 0.393 nan 8.230 nan 0.000 0.483 618 S N 3.275 119.011 115.700 0.060 0.000 2.614 618 S HA 0.252 4.721 4.470 -0.001 0.000 0.265 618 S C 1.131 175.779 174.600 0.080 0.000 1.303 618 S CA -0.812 57.425 58.200 0.062 0.000 1.000 618 S CB 0.909 64.151 63.200 0.070 0.000 0.935 618 S HN 0.567 nan 8.310 nan 0.000 0.551 619 L N 0.931 122.198 121.223 0.073 0.000 2.141 619 L HA -0.038 4.302 4.340 -0.001 0.000 0.209 619 L C 3.018 179.960 176.870 0.121 0.000 1.094 619 L CA 1.325 56.219 54.840 0.089 0.000 0.763 619 L CB -1.202 40.901 42.059 0.073 0.000 0.908 619 L HN 0.941 nan 8.230 nan 0.000 0.437 620 A N 0.456 123.342 122.820 0.110 0.000 1.908 620 A HA -0.200 4.120 4.320 -0.001 0.000 0.218 620 A C 2.563 180.248 177.584 0.168 0.000 1.181 620 A CA 1.841 53.950 52.037 0.122 0.000 0.627 620 A CB -0.595 18.463 19.000 0.098 0.000 0.818 620 A HN 0.402 nan 8.150 nan 0.000 0.445 621 A N -0.646 122.286 122.820 0.186 0.000 1.902 621 A HA 0.016 4.336 4.320 -0.001 0.000 0.217 621 A C 2.235 180.053 177.584 0.390 0.000 1.181 621 A CA 1.798 53.997 52.037 0.270 0.000 0.623 621 A CB -0.887 18.269 19.000 0.259 0.000 0.818 621 A HN 0.401 nan 8.150 nan 0.000 0.443 622 V N 0.683 120.807 119.914 0.350 0.000 2.307 622 V HA -0.240 3.880 4.120 -0.001 0.000 0.245 622 V C 2.415 178.780 176.094 0.451 0.000 1.045 622 V CA 2.248 64.818 62.300 0.449 0.000 1.024 622 V CB -1.124 30.839 31.823 0.234 0.000 0.651 622 V HN 0.709 nan 8.190 nan 0.000 0.449 623 N N 0.673 119.549 118.700 0.293 0.000 2.149 623 N HA -0.166 4.573 4.740 -0.001 0.000 0.188 623 N C 1.713 177.339 175.510 0.193 0.000 1.019 623 N CA 1.707 54.897 53.050 0.234 0.000 0.857 623 N CB -0.321 38.266 38.487 0.168 0.000 0.997 623 N HN 0.434 nan 8.380 nan 0.000 0.426 624 A N -0.761 122.177 122.820 0.197 0.000 1.930 624 A HA -0.116 4.204 4.320 -0.001 0.000 0.217 624 A C 2.099 179.691 177.584 0.013 0.000 1.175 624 A CA 1.384 53.507 52.037 0.144 0.000 0.627 624 A CB -1.335 17.788 19.000 0.205 0.000 0.815 624 A HN 0.685 nan 8.150 nan 0.000 0.443 625 W N 1.267 122.417 121.300 -0.250 0.000 2.355 625 W HA -0.201 4.458 4.660 -0.001 0.000 0.309 625 W C 2.129 178.426 176.519 -0.371 0.000 1.206 625 W CA 2.250 59.158 57.345 -0.728 0.000 1.284 625 W CB -0.043 29.034 29.460 -0.637 0.000 1.145 625 W HN 0.213 nan 8.180 nan 0.000 0.502 626 K N 0.623 120.911 120.400 -0.187 0.000 2.044 626 K HA -0.195 4.124 4.320 -0.001 0.000 0.210 626 K C 1.745 178.114 176.600 -0.385 0.000 1.049 626 K CA 2.335 58.408 56.287 -0.357 0.000 0.927 626 K CB -0.972 31.619 32.500 0.153 0.000 0.713 626 K HN 0.246 nan 8.250 nan 0.000 0.443 627 V N 1.604 121.426 119.914 -0.153 0.000 2.295 627 V HA -0.242 3.878 4.120 -0.001 0.000 0.246 627 V C 2.695 178.649 176.094 -0.234 0.000 1.049 627 V CA 2.050 64.310 62.300 -0.067 0.000 1.024 627 V CB -0.953 30.907 31.823 0.062 0.000 0.648 627 V HN 0.490 nan 8.190 nan 0.000 0.447 628 A N -0.091 122.548 122.820 -0.300 0.000 1.902 628 A HA -0.113 4.206 4.320 -0.001 0.000 0.217 628 A C 2.408 179.695 177.584 -0.495 0.000 1.181 628 A CA 2.154 54.013 52.037 -0.297 0.000 0.623 628 A CB -0.761 18.124 19.000 -0.192 0.000 0.818 628 A HN 0.575 nan 8.150 nan 0.000 0.443 629 A N -0.171 122.118 122.820 -0.886 0.000 1.898 629 A HA 0.201 4.521 4.320 -0.001 0.000 0.216 629 A C 2.523 179.419 177.584 -1.146 0.000 1.181 629 A CA 2.006 53.288 52.037 -1.258 0.000 0.620 629 A CB -1.061 16.569 19.000 -2.283 0.000 0.819 629 A HN 1.039 nan 8.150 nan 0.000 0.442 630 A N 0.045 122.297 122.820 -0.947 0.000 1.883 630 A HA -0.222 4.098 4.320 -0.001 0.000 0.217 630 A C 1.909 179.256 177.584 -0.395 0.000 1.186 630 A CA 1.799 53.541 52.037 -0.492 0.000 0.624 630 A CB -0.672 17.918 19.000 -0.683 0.000 0.822 630 A HN 0.638 nan 8.150 nan 0.000 0.444 631 E N -0.550 119.457 120.200 -0.320 0.000 2.085 631 E HA -0.166 4.183 4.350 -0.001 0.000 0.194 631 E C 2.292 178.770 176.600 -0.203 0.000 0.994 631 E CA 1.253 57.548 56.400 -0.175 0.000 0.801 631 E CB -0.213 29.428 29.700 -0.098 0.000 0.743 631 E HN 0.616 nan 8.360 nan 0.000 0.453 632 S N 0.424 115.966 115.700 -0.264 0.000 2.356 632 S HA -0.178 4.291 4.470 -0.001 0.000 0.223 632 S C 2.110 176.550 174.600 -0.267 0.000 1.032 632 S CA 1.234 59.301 58.200 -0.222 0.000 1.005 632 S CB -0.152 62.912 63.200 -0.226 0.000 0.867 632 S HN 0.333 nan 8.310 nan 0.000 0.449 633 A N 1.121 123.668 122.820 -0.455 0.000 1.930 633 A HA 0.063 4.382 4.320 -0.001 0.000 0.217 633 A C 2.137 179.278 177.584 -0.738 0.000 1.175 633 A CA 1.392 52.932 52.037 -0.828 0.000 0.627 633 A CB -0.721 17.162 19.000 -1.861 0.000 0.815 633 A HN 0.627 nan 8.150 nan 0.000 0.443 634 I N -0.416 119.841 120.570 -0.522 0.000 2.179 634 I HA -0.227 3.943 4.170 -0.001 0.000 0.242 634 I C 2.733 178.802 176.117 -0.081 0.000 1.088 634 I CA 1.496 62.682 61.300 -0.190 0.000 1.357 634 I CB -0.300 37.686 38.000 -0.023 0.000 1.051 634 I HN 0.223 nan 8.210 nan 0.000 0.409 635 S N 0.740 116.391 115.700 -0.082 0.000 2.356 635 S HA -0.185 4.285 4.470 -0.001 0.000 0.223 635 S C 1.915 176.520 174.600 0.007 0.000 1.032 635 S CA 1.344 59.531 58.200 -0.022 0.000 1.005 635 S CB -0.436 62.744 63.200 -0.033 0.000 0.867 635 S HN 0.301 nan 8.310 nan 0.000 0.449 636 L N 1.750 122.968 121.223 -0.008 0.000 2.083 636 L HA -0.084 4.256 4.340 -0.001 0.000 0.209 636 L C 2.231 179.214 176.870 0.189 0.000 1.083 636 L CA 1.851 56.727 54.840 0.061 0.000 0.752 636 L CB -1.343 40.712 42.059 -0.007 0.000 0.899 636 L HN 0.210 nan 8.230 nan 0.000 0.433 637 T N -0.439 114.222 114.554 0.178 0.000 2.708 637 T HA -0.183 4.167 4.350 -0.001 0.000 0.266 637 T C 1.993 176.756 174.700 0.105 0.000 1.037 637 T CA 1.680 63.850 62.100 0.116 0.000 1.146 637 T CB -0.196 68.656 68.868 -0.026 0.000 0.865 637 T HN 0.362 nan 8.240 nan 0.000 0.435 638 R N 0.729 121.283 120.500 0.089 0.000 2.081 638 R HA -0.100 4.240 4.340 -0.001 0.000 0.235 638 R C 2.687 179.062 176.300 0.126 0.000 1.131 638 R CA 1.401 57.563 56.100 0.104 0.000 0.960 638 R CB -0.260 30.100 30.300 0.100 0.000 0.856 638 R HN 0.483 nan 8.270 nan 0.000 0.436 639 Q N 0.599 120.467 119.800 0.114 0.000 2.079 639 Q HA -0.120 4.219 4.340 -0.001 0.000 0.200 639 Q C 2.020 178.104 176.000 0.140 0.000 0.974 639 Q CA 1.369 57.241 55.803 0.115 0.000 0.840 639 Q CB 0.200 28.988 28.738 0.085 0.000 0.898 639 Q HN 0.164 nan 8.270 nan 0.000 0.430 640 V N 0.943 120.953 119.914 0.161 0.000 2.343 640 V HA -0.257 3.862 4.120 -0.001 0.000 0.247 640 V C 2.328 178.532 176.094 0.184 0.000 1.051 640 V CA 2.011 64.418 62.300 0.178 0.000 1.036 640 V CB -0.535 31.427 31.823 0.233 0.000 0.654 640 V HN 0.344 nan 8.190 nan 0.000 0.451 641 R N -0.282 120.326 120.500 0.180 0.000 2.073 641 R HA -0.143 4.197 4.340 -0.001 0.000 0.234 641 R C 2.392 178.927 176.300 0.393 0.000 1.134 641 R CA 1.441 57.690 56.100 0.248 0.000 0.952 641 R CB -0.354 30.073 30.300 0.211 0.000 0.850 641 R HN 0.476 nan 8.270 nan 0.000 0.433 642 E N 0.127 120.505 120.200 0.298 0.000 2.085 642 E HA -0.162 4.187 4.350 -0.001 0.000 0.194 642 E C 2.039 178.786 176.600 0.245 0.000 0.994 642 E CA 1.643 58.215 56.400 0.287 0.000 0.801 642 E CB -0.311 29.509 29.700 0.199 0.000 0.743 642 E HN 0.325 nan 8.360 nan 0.000 0.453 643 T N 1.135 115.804 114.554 0.191 0.000 2.746 643 T HA -0.158 4.192 4.350 -0.001 0.000 0.267 643 T C 1.596 176.367 174.700 0.118 0.000 1.039 643 T CA 1.251 63.433 62.100 0.137 0.000 1.142 643 T CB -0.436 68.505 68.868 0.121 0.000 0.866 643 T HN 0.181 nan 8.240 nan 0.000 0.444 644 F N 0.156 120.092 119.950 -0.024 0.000 2.102 644 F HA -0.064 4.463 4.527 -0.001 0.000 0.298 644 F C 1.703 177.372 175.800 -0.219 0.000 1.105 644 F CA 1.166 59.051 58.000 -0.192 0.000 1.239 644 F CB -0.396 38.369 39.000 -0.392 0.000 0.991 644 F HN 0.204 nan 8.300 nan 0.000 0.474 645 W N 0.192 121.571 121.300 0.132 0.000 2.678 645 W HA 0.000 4.660 4.660 -0.001 0.000 0.256 645 W C 2.591 179.092 176.519 -0.030 0.000 1.280 645 W CA 0.834 58.199 57.345 0.032 0.000 1.345 645 W CB -0.462 29.089 29.460 0.152 0.000 1.118 645 W HN 0.154 nan 8.180 nan 0.000 0.629 646 S N -0.857 114.945 115.700 0.172 0.000 2.593 646 S HA 0.504 4.974 4.470 -0.001 0.000 0.217 646 S C 0.560 175.180 174.600 0.033 0.000 0.966 646 S CA 0.023 58.291 58.200 0.113 0.000 0.914 646 S CB -0.127 63.139 63.200 0.109 0.000 0.776 646 S HN -0.008 nan 8.310 nan 0.000 0.523 647 A N 0.754 123.549 122.820 -0.042 0.000 2.423 647 A HA 0.901 5.220 4.320 -0.001 0.000 0.304 647 A C 0.137 177.640 177.584 -0.135 0.000 1.104 647 A CA -0.546 51.447 52.037 -0.073 0.000 0.757 647 A CB 0.949 19.902 19.000 -0.078 0.000 1.313 647 A HN 0.704 nan 8.150 nan 0.000 0.423 648 A N 0.309 123.075 122.820 -0.090 0.000 2.366 648 A HA 0.455 4.775 4.320 -0.001 0.000 0.250 648 A C 1.524 179.024 177.584 -0.140 0.000 1.099 648 A CA 0.459 52.441 52.037 -0.092 0.000 0.794 648 A CB -0.278 18.696 19.000 -0.043 0.000 1.056 648 A HN 1.950 nan 8.150 nan 0.000 0.499 649 S N -0.606 115.028 115.700 -0.109 0.000 2.474 649 S HA -0.153 4.316 4.470 -0.001 0.000 0.235 649 S C 1.473 176.090 174.600 0.029 0.000 0.997 649 S CA 1.563 59.724 58.200 -0.065 0.000 0.949 649 S CB -1.164 62.011 63.200 -0.042 0.000 0.766 649 S HN 1.129 nan 8.310 nan 0.000 0.517 650 T N -0.788 113.770 114.554 0.006 0.000 3.007 650 T HA 0.070 4.419 4.350 -0.001 0.000 0.270 650 T C 1.421 176.121 174.700 0.000 0.000 1.107 650 T CA 1.163 63.277 62.100 0.023 0.000 1.118 650 T CB -0.471 68.404 68.868 0.011 0.000 0.889 650 T HN 0.370 nan 8.240 nan 0.000 0.506 651 S N 0.966 116.645 115.700 -0.034 0.000 2.575 651 S HA 0.355 4.824 4.470 -0.001 0.000 0.237 651 S C 0.650 175.213 174.600 -0.063 0.000 0.975 651 S CA -0.507 57.663 58.200 -0.049 0.000 0.960 651 S CB 0.159 63.324 63.200 -0.059 0.000 0.822 651 S HN 0.576 nan 8.310 nan 0.000 0.472 652 S N 3.460 119.135 115.700 -0.041 0.000 2.549 652 S HA 0.126 4.595 4.470 -0.001 0.000 0.286 652 S C -1.288 173.334 174.600 0.036 0.000 1.314 652 S CA -1.190 57.006 58.200 -0.007 0.000 1.062 652 S CB 0.738 64.027 63.200 0.149 0.000 0.865 652 S HN 0.159 nan 8.310 nan 0.000 0.498 653 P HA 0.008 nan 4.420 nan 0.000 0.230 653 P C 1.085 178.452 177.300 0.111 0.000 1.158 653 P CA 0.891 64.058 63.100 0.111 0.000 0.769 653 P CB -0.168 31.677 31.700 0.241 0.000 0.807 654 A N 0.700 123.602 122.820 0.137 0.000 1.978 654 A HA -0.145 4.174 4.320 -0.001 0.000 0.220 654 A C 2.267 179.781 177.584 -0.116 0.000 1.170 654 A CA 1.241 53.336 52.037 0.097 0.000 0.636 654 A CB -1.567 17.373 19.000 -0.100 0.000 0.810 654 A HN 0.179 nan 8.150 nan 0.000 0.448 655 L N -0.219 120.885 121.223 -0.199 0.000 2.362 655 L HA -0.108 4.231 4.340 -0.001 0.000 0.219 655 L C 2.277 179.009 176.870 -0.230 0.000 1.134 655 L CA 1.075 55.791 54.840 -0.206 0.000 0.807 655 L CB -0.339 41.637 42.059 -0.138 0.000 0.927 655 L HN 0.285 nan 8.230 nan 0.000 0.447 656 S N -1.366 114.116 115.700 -0.362 0.000 2.522 656 S HA -0.031 4.439 4.470 -0.001 0.000 0.227 656 S C 1.153 175.311 174.600 -0.736 0.000 0.986 656 S CA 0.708 58.551 58.200 -0.594 0.000 0.929 656 S CB -0.015 62.652 63.200 -0.889 0.000 0.769 656 S HN 0.445 nan 8.310 nan 0.000 0.529 657 Y N -0.054 120.073 120.300 -0.288 0.000 2.585 657 Y HA 0.442 4.991 4.550 -0.001 0.000 0.272 657 Y C 0.622 176.277 175.900 -0.409 0.000 1.119 657 Y CA -0.883 56.894 58.100 -0.538 0.000 1.255 657 Y CB -0.170 37.517 38.460 -1.288 0.000 1.284 657 Y HN 0.015 nan 8.280 nan 0.000 0.499 658 L N 1.494 122.690 121.223 -0.046 0.000 2.483 658 L HA 0.056 4.396 4.340 -0.001 0.000 0.275 658 L C 1.031 177.944 176.870 0.073 0.000 1.220 658 L CA -0.155 54.770 54.840 0.141 0.000 0.833 658 L CB 0.472 42.566 42.059 0.057 0.000 1.102 658 L HN 0.208 nan 8.230 nan 0.000 0.490 659 S N 3.324 119.094 115.700 0.117 0.000 2.573 659 S HA 0.129 4.598 4.470 -0.001 0.000 0.277 659 S C -1.468 173.156 174.600 0.041 0.000 1.346 659 S CA -1.012 57.235 58.200 0.079 0.000 1.034 659 S CB 0.863 64.118 63.200 0.092 0.000 0.879 659 S HN 0.479 nan 8.310 nan 0.000 0.528 660 P HA -0.095 nan 4.420 nan 0.000 0.218 660 P C 1.161 178.474 177.300 0.020 0.000 1.148 660 P CA 1.271 64.378 63.100 0.012 0.000 0.822 660 P CB 0.041 31.742 31.700 0.003 0.000 0.784 661 R N -0.426 120.087 120.500 0.021 0.000 2.080 661 R HA -0.016 4.324 4.340 -0.001 0.000 0.222 661 R C 2.513 178.831 176.300 0.030 0.000 1.107 661 R CA 1.961 58.071 56.100 0.017 0.000 0.980 661 R CB -1.204 29.098 30.300 0.002 0.000 0.879 661 R HN 0.287 nan 8.270 nan 0.000 0.439 662 T N -1.434 113.146 114.554 0.043 0.000 2.915 662 T HA -0.162 4.188 4.350 -0.001 0.000 0.269 662 T C 1.870 176.630 174.700 0.100 0.000 1.071 662 T CA 0.828 62.966 62.100 0.063 0.000 1.132 662 T CB -0.089 68.820 68.868 0.069 0.000 0.878 662 T HN 0.176 nan 8.240 nan 0.000 0.479 663 Q N 0.537 120.384 119.800 0.079 0.000 2.197 663 Q HA -0.079 4.260 4.340 -0.001 0.000 0.207 663 Q C 2.139 178.230 176.000 0.153 0.000 0.984 663 Q CA 1.597 57.454 55.803 0.091 0.000 0.869 663 Q CB -0.512 28.244 28.738 0.031 0.000 0.906 663 Q HN 0.674 nan 8.270 nan 0.000 0.426 664 I N -0.192 120.442 120.570 0.107 0.000 2.226 664 I HA -0.287 3.883 4.170 -0.001 0.000 0.245 664 I C 2.118 178.327 176.117 0.152 0.000 1.100 664 I CA 0.659 62.022 61.300 0.104 0.000 1.374 664 I CB -0.215 37.813 38.000 0.047 0.000 1.057 664 I HN 0.300 nan 8.210 nan 0.000 0.413 665 L N -0.146 121.164 121.223 0.144 0.000 2.095 665 L HA -0.199 4.141 4.340 -0.001 0.000 0.204 665 L C 2.405 179.419 176.870 0.241 0.000 1.080 665 L CA 1.638 56.582 54.840 0.173 0.000 0.759 665 L CB -0.975 41.146 42.059 0.103 0.000 0.914 665 L HN 0.206 nan 8.230 nan 0.000 0.439 666 Y N 0.361 120.717 120.300 0.095 0.000 2.069 666 Y HA -0.366 4.183 4.550 -0.001 0.000 0.278 666 Y C 2.412 178.362 175.900 0.084 0.000 1.175 666 Y CA 2.528 60.676 58.100 0.080 0.000 1.134 666 Y CB -0.458 38.044 38.460 0.070 0.000 0.965 666 Y HN 0.248 nan 8.280 nan 0.000 0.498 667 A N -0.364 122.642 122.820 0.310 0.000 1.933 667 A HA -0.205 4.115 4.320 -0.001 0.000 0.218 667 A C 2.142 179.797 177.584 0.117 0.000 1.175 667 A CA 1.444 53.595 52.037 0.190 0.000 0.628 667 A CB -1.501 17.622 19.000 0.204 0.000 0.814 667 A HN 0.676 nan 8.150 nan 0.000 0.444 668 F N 0.852 120.818 119.950 0.026 0.000 2.095 668 F HA -0.187 4.340 4.527 -0.001 0.000 0.298 668 F C 2.184 177.975 175.800 -0.016 0.000 1.104 668 F CA 2.193 60.198 58.000 0.008 0.000 1.232 668 F CB -0.379 38.630 39.000 0.015 0.000 0.987 668 F HN 0.037 nan 8.300 nan 0.000 0.475 669 V N 0.936 120.783 119.914 -0.112 0.000 2.283 669 V HA -0.191 3.928 4.120 -0.001 0.000 0.243 669 V C 2.630 178.581 176.094 -0.239 0.000 1.039 669 V CA 1.850 64.011 62.300 -0.232 0.000 1.016 669 V CB -0.657 31.117 31.823 -0.081 0.000 0.650 669 V HN 0.224 nan 8.190 nan 0.000 0.449 670 R N -0.034 120.307 120.500 -0.265 0.000 2.075 670 R HA -0.090 4.249 4.340 -0.001 0.000 0.232 670 R C 2.191 178.398 176.300 -0.155 0.000 1.126 670 R CA 1.267 57.209 56.100 -0.264 0.000 0.963 670 R CB -0.265 29.755 30.300 -0.467 0.000 0.858 670 R HN 0.549 nan 8.270 nan 0.000 0.435 671 E N 0.224 120.350 120.200 -0.124 0.000 2.083 671 E HA -0.003 4.347 4.350 -0.001 0.000 0.193 671 E C 1.960 178.495 176.600 -0.108 0.000 0.950 671 E CA 0.561 56.915 56.400 -0.076 0.000 0.849 671 E CB -0.249 29.439 29.700 -0.020 0.000 0.827 671 E HN 0.326 nan 8.360 nan 0.000 0.465 672 E N 0.893 120.996 120.200 -0.161 0.000 2.072 672 E HA -0.041 4.308 4.350 -0.001 0.000 0.191 672 E C 2.107 178.540 176.600 -0.278 0.000 0.985 672 E CA 0.693 56.970 56.400 -0.205 0.000 0.801 672 E CB 0.024 29.585 29.700 -0.232 0.000 0.750 672 E HN 0.128 nan 8.360 nan 0.000 0.452 673 L N -0.602 120.383 121.223 -0.397 0.000 2.509 673 L HA 0.151 4.491 4.340 -0.001 0.000 0.222 673 L C 1.443 178.226 176.870 -0.144 0.000 1.123 673 L CA 0.389 55.060 54.840 -0.282 0.000 0.856 673 L CB -0.153 41.709 42.059 -0.329 0.000 0.985 673 L HN 0.268 nan 8.230 nan 0.000 0.456 674 G N 0.930 109.652 108.800 -0.131 0.000 2.179 674 G HA2 -0.257 3.703 3.960 -0.001 0.000 0.257 674 G HA3 -0.257 3.703 3.960 -0.001 0.000 0.257 674 G C 0.186 175.064 174.900 -0.037 0.000 1.010 674 G CA 0.163 45.222 45.100 -0.069 0.000 0.736 674 G HN 0.155 nan 8.290 nan 0.000 0.513 675 V N 1.736 121.620 119.914 -0.049 0.000 2.389 675 V HA 0.406 4.526 4.120 -0.001 0.000 0.264 675 V C 0.433 176.514 176.094 -0.021 0.000 1.049 675 V CA -0.444 61.863 62.300 0.011 0.000 0.932 675 V CB 1.232 33.086 31.823 0.051 0.000 1.011 675 V HN 0.247 nan 8.190 nan 0.000 0.475 676 K N 3.107 123.530 120.400 0.037 0.000 2.139 676 K HA 0.734 5.053 4.320 -0.001 0.000 0.243 676 K C 0.297 176.953 176.600 0.094 0.000 0.983 676 K CA -0.562 55.752 56.287 0.046 0.000 0.890 676 K CB 1.608 34.174 32.500 0.110 0.000 1.090 676 K HN 0.645 nan 8.250 nan 0.000 0.445 677 A N 1.330 124.234 122.820 0.140 0.000 2.507 677 A HA 0.054 4.374 4.320 -0.001 0.000 0.235 677 A C 0.154 178.011 177.584 0.454 0.000 1.070 677 A CA 0.276 52.468 52.037 0.258 0.000 0.768 677 A CB 0.056 19.224 19.000 0.280 0.000 1.011 677 A HN 0.606 nan 8.150 nan 0.000 0.502 678 R N 1.115 121.827 120.500 0.354 0.000 2.343 678 R HA 0.361 4.701 4.340 -0.001 0.000 0.320 678 R C 0.841 177.137 176.300 -0.005 0.000 0.956 678 R CA -0.580 55.582 56.100 0.103 0.000 0.836 678 R CB 0.835 31.027 30.300 -0.179 0.000 1.151 678 R HN 0.920 nan 8.270 nan 0.000 0.450 679 R N 2.276 122.594 120.500 -0.304 0.000 2.127 679 R HA 0.133 4.472 4.340 -0.001 0.000 0.217 679 R C -0.183 175.920 176.300 -0.329 0.000 1.074 679 R CA 1.119 56.867 56.100 -0.588 0.000 0.991 679 R CB 0.360 29.886 30.300 -1.289 0.000 0.895 679 R HN 0.854 nan 8.270 nan 0.000 0.450 680 G N 0.299 108.961 108.800 -0.229 0.000 2.957 680 G HA2 -0.097 3.863 3.960 -0.001 0.000 0.636 680 G HA3 -0.097 3.863 3.960 -0.001 0.000 0.636 680 G C -0.874 173.987 174.900 -0.065 0.000 1.401 680 G CA -0.423 44.593 45.100 -0.141 0.000 0.941 680 G HN 0.095 nan 8.290 nan 0.000 0.610 681 D N 0.649 121.009 120.400 -0.067 0.000 2.123 681 D HA -0.120 4.520 4.640 -0.001 0.000 0.196 681 D C 2.704 178.982 176.300 -0.036 0.000 0.992 681 D CA 1.717 55.690 54.000 -0.045 0.000 0.833 681 D CB 0.135 40.914 40.800 -0.036 0.000 0.954 681 D HN 0.348 nan 8.370 nan 0.000 0.455 682 V N 0.479 120.372 119.914 -0.034 0.000 2.323 682 V HA -0.193 3.927 4.120 -0.001 0.000 0.244 682 V C 2.114 178.191 176.094 -0.029 0.000 1.041 682 V CA 1.170 63.449 62.300 -0.035 0.000 1.025 682 V CB -0.567 31.230 31.823 -0.043 0.000 0.656 682 V HN 0.102 nan 8.190 nan 0.000 0.451 683 F N 0.539 120.418 119.950 -0.117 0.000 2.126 683 F HA -0.183 4.344 4.527 -0.001 0.000 0.299 683 F C 1.955 177.683 175.800 -0.120 0.000 1.096 683 F CA 1.753 59.682 58.000 -0.117 0.000 1.255 683 F CB -0.127 38.786 39.000 -0.145 0.000 0.997 683 F HN 0.036 nan 8.300 nan 0.000 0.479 684 L N -0.036 121.176 121.223 -0.018 0.000 2.395 684 L HA 0.128 4.467 4.340 -0.001 0.000 0.218 684 L C 1.755 178.541 176.870 -0.140 0.000 1.130 684 L CA 0.650 55.433 54.840 -0.094 0.000 0.826 684 L CB -1.169 40.869 42.059 -0.034 0.000 0.941 684 L HN 0.406 nan 8.230 nan 0.000 0.451 685 G N 1.314 110.038 108.800 -0.127 0.000 2.249 685 G HA2 -0.332 3.627 3.960 -0.001 0.000 0.273 685 G HA3 -0.332 3.627 3.960 -0.001 0.000 0.273 685 G C 0.123 174.983 174.900 -0.067 0.000 1.036 685 G CA 0.645 45.686 45.100 -0.099 0.000 0.824 685 G HN 0.415 nan 8.290 nan 0.000 0.504 686 K N -0.379 119.988 120.400 -0.055 0.000 2.525 686 K HA 0.387 4.706 4.320 -0.001 0.000 0.254 686 K C -0.341 176.241 176.600 -0.031 0.000 0.934 686 K CA -0.720 55.543 56.287 -0.039 0.000 0.802 686 K CB 1.113 33.590 32.500 -0.038 0.000 1.295 686 K HN 0.164 nan 8.250 nan 0.000 0.433 687 Q N 3.181 122.968 119.800 -0.022 0.000 2.423 687 Q HA 0.115 4.454 4.340 -0.001 0.000 0.235 687 Q C -0.674 175.320 176.000 -0.010 0.000 1.100 687 Q CA -0.097 55.697 55.803 -0.014 0.000 0.908 687 Q CB 1.018 29.750 28.738 -0.009 0.000 1.312 687 Q HN 0.410 nan 8.270 nan 0.000 0.497 688 E N 0.925 121.119 120.200 -0.011 0.000 2.392 688 E HA 0.115 4.464 4.350 -0.001 0.000 0.256 688 E C -0.083 176.522 176.600 0.009 0.000 1.145 688 E CA -0.492 55.906 56.400 -0.002 0.000 0.929 688 E CB 1.016 30.713 29.700 -0.004 0.000 0.998 688 E HN 0.234 nan 8.360 nan 0.000 0.442 689 V N 2.283 122.207 119.914 0.016 0.000 2.790 689 V HA -0.121 3.999 4.120 -0.001 0.000 0.304 689 V C 0.877 176.988 176.094 0.029 0.000 1.142 689 V CA 0.731 63.045 62.300 0.022 0.000 1.282 689 V CB -0.056 31.784 31.823 0.028 0.000 0.877 689 V HN 0.818 nan 8.190 nan 0.000 0.504 690 T N 2.978 117.545 114.554 0.022 0.000 2.860 690 T HA 0.316 4.665 4.350 -0.001 0.000 0.299 690 T C 1.241 175.951 174.700 0.017 0.000 1.045 690 T CA -0.405 61.706 62.100 0.018 0.000 1.071 690 T CB 0.543 69.414 68.868 0.006 0.000 0.985 690 T HN 0.366 nan 8.240 nan 0.000 0.537 691 I N 1.755 122.330 120.570 0.009 0.000 2.194 691 I HA -0.128 4.042 4.170 -0.001 0.000 0.246 691 I C 2.814 178.830 176.117 -0.169 0.000 1.093 691 I CA 1.897 63.152 61.300 -0.075 0.000 1.355 691 I CB -0.917 37.044 38.000 -0.064 0.000 1.046 691 I HN 0.957 nan 8.210 nan 0.000 0.413 692 G N -0.336 108.408 108.800 -0.093 0.000 2.418 692 G HA2 -0.226 3.733 3.960 -0.001 0.000 0.217 692 G HA3 -0.226 3.733 3.960 -0.001 0.000 0.217 692 G C 1.751 176.623 174.900 -0.047 0.000 1.158 692 G CA 0.931 45.985 45.100 -0.078 0.000 0.771 692 G HN 0.370 nan 8.290 nan 0.000 0.545 693 S N 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58.200 0.099 0.000 1.002 696 S CB -0.280 62.951 63.200 0.053 0.000 0.829 696 S HN 0.614 nan 8.310 nan 0.000 0.467 697 K N 0.672 121.135 120.400 0.105 0.000 2.097 697 K HA 0.022 4.342 4.320 -0.001 0.000 0.206 697 K C 1.943 178.598 176.600 0.092 0.000 1.049 697 K CA 1.099 57.434 56.287 0.080 0.000 0.933 697 K CB -0.283 32.243 32.500 0.044 0.000 0.717 697 K HN 0.366 nan 8.250 nan 0.000 0.442 698 I N -0.119 120.527 120.570 0.126 0.000 2.233 698 I HA -0.272 3.898 4.170 -0.001 0.000 0.243 698 I C 2.364 178.584 176.117 0.172 0.000 1.093 698 I CA 1.003 62.389 61.300 0.144 0.000 1.380 698 I CB -0.338 37.766 38.000 0.173 0.000 1.067 698 I HN 0.114 nan 8.210 nan 0.000 0.413 699 Y N 2.195 122.528 120.300 0.054 0.000 2.151 699 Y HA -0.318 4.231 4.550 -0.001 0.000 0.284 699 Y C 2.381 178.304 175.900 0.038 0.000 1.166 699 Y CA 1.914 60.033 58.100 0.032 0.000 1.163 699 Y CB -0.322 38.139 38.460 0.001 0.000 0.974 699 Y HN 0.184 nan 8.280 nan 0.000 0.511 700 E N -0.087 120.126 120.200 0.022 0.000 2.110 700 E HA -0.179 4.171 4.350 -0.001 0.000 0.193 700 E C 2.332 178.896 176.600 -0.059 0.000 0.988 700 E CA 0.886 57.237 56.400 -0.082 0.000 0.804 700 E CB -0.317 29.410 29.700 0.045 0.000 0.745 700 E HN 0.604 nan 8.360 nan 0.000 0.458 701 A N 0.840 123.678 122.820 0.030 0.000 2.015 701 A HA -0.123 4.196 4.320 -0.001 0.000 0.219 701 A C 2.083 179.711 177.584 0.074 0.000 1.163 701 A CA 0.834 52.937 52.037 0.109 0.000 0.646 701 A CB -0.380 18.763 19.000 0.239 0.000 0.806 701 A HN 0.123 nan 8.150 nan 0.000 0.448 702 I N -0.729 119.845 120.570 0.007 0.000 2.193 702 I HA -0.178 3.991 4.170 -0.001 0.000 0.240 702 I C 2.271 178.331 176.117 -0.095 0.000 1.084 702 I CA 1.021 62.303 61.300 -0.031 0.000 1.365 702 I CB -0.177 37.806 38.000 -0.027 0.000 1.064 702 I HN 0.093 nan 8.210 nan 0.000 0.410 703 K N 0.850 121.111 120.400 -0.232 0.000 2.097 703 K HA -0.095 4.224 4.320 -0.001 0.000 0.205 703 K C 2.229 178.764 176.600 -0.107 0.000 1.050 703 K CA 1.768 57.914 56.287 -0.234 0.000 0.938 703 K CB -0.588 31.642 32.500 -0.449 0.000 0.718 703 K HN 0.417 nan 8.250 nan 0.000 0.442 704 S N -0.669 114.986 115.700 -0.075 0.000 2.481 704 S HA 0.028 4.497 4.470 -0.001 0.000 0.231 704 S C 1.524 176.131 174.600 0.012 0.000 0.996 704 S CA 0.975 59.162 58.200 -0.022 0.000 0.942 704 S CB -0.124 63.075 63.200 -0.000 0.000 0.768 704 S HN 0.417 nan 8.310 nan 0.000 0.520 705 G N 1.799 110.610 108.800 0.018 0.000 2.179 705 G HA2 -0.367 3.592 3.960 -0.001 0.000 0.260 705 G HA3 -0.367 3.592 3.960 -0.001 0.000 0.260 705 G C 0.825 175.739 174.900 0.024 0.000 0.977 705 G CA 0.465 45.589 45.100 0.039 0.000 0.641 705 G HN 0.582 nan 8.290 nan 0.000 0.533 706 R N 0.196 120.726 120.500 0.049 0.000 2.127 706 R HA 0.113 4.453 4.340 -0.001 0.000 0.238 706 R C 2.443 178.716 176.300 -0.044 0.000 1.134 706 R CA 1.658 57.804 56.100 0.078 0.000 0.975 706 R CB -0.291 30.127 30.300 0.195 0.000 0.865 706 R HN 0.574 nan 8.270 nan 0.000 0.447 707 I N 1.256 121.780 120.570 -0.077 0.000 2.756 707 I HA -0.227 3.942 4.170 -0.001 0.000 0.262 707 I C 0.854 176.809 176.117 -0.269 0.000 1.225 707 I CA 0.734 61.837 61.300 -0.327 0.000 1.472 707 I CB -0.106 37.826 38.000 -0.114 0.000 1.094 707 I HN 0.283 nan 8.210 nan 0.000 0.454 708 N N 1.378 119.991 118.700 -0.145 0.000 2.084 708 N HA -0.186 4.554 4.740 -0.001 0.000 0.190 708 N C 1.472 176.905 175.510 -0.128 0.000 1.030 708 N CA 1.304 54.286 53.050 -0.113 0.000 0.849 708 N CB -0.643 37.808 38.487 -0.060 0.000 1.012 708 N HN 0.337 nan 8.380 nan 0.000 0.423 709 N N 0.437 119.061 118.700 -0.126 0.000 2.309 709 N HA -0.044 4.696 4.740 -0.001 0.000 0.182 709 N C 1.738 177.157 175.510 -0.151 0.000 1.018 709 N CA 0.295 53.279 53.050 -0.111 0.000 0.876 709 N CB -0.205 38.235 38.487 -0.078 0.000 0.972 709 N HN 0.059 nan 8.380 nan 0.000 0.434 710 V N 1.350 121.110 119.914 -0.256 0.000 2.307 710 V HA -0.162 3.957 4.120 -0.001 0.000 0.245 710 V C 2.344 178.326 176.094 -0.186 0.000 1.045 710 V CA 1.157 63.283 62.300 -0.290 0.000 1.024 710 V CB -0.541 30.922 31.823 -0.600 0.000 0.651 710 V HN 0.206 nan 8.190 nan 0.000 0.449 711 L N -0.750 120.368 121.223 -0.176 0.000 2.046 711 L HA -0.193 4.146 4.340 -0.001 0.000 0.208 711 L C 2.481 179.294 176.870 -0.094 0.000 1.077 711 L CA 1.239 56.009 54.840 -0.117 0.000 0.747 711 L CB -0.690 41.307 42.059 -0.105 0.000 0.896 711 L HN 0.319 nan 8.230 nan 0.000 0.432 712 L N 0.378 121.543 121.223 -0.096 0.000 2.012 712 L HA -0.164 4.175 4.340 -0.001 0.000 0.210 712 L C 1.715 178.545 176.870 -0.067 0.000 1.073 712 L CA 1.629 56.422 54.840 -0.079 0.000 0.748 712 L CB -0.516 41.498 42.059 -0.075 0.000 0.891 712 L HN 0.124 nan 8.230 nan 0.000 0.431 716 A N 0.000 122.792 122.820 -0.046 0.000 2.254 716 A HA 0.000 4.319 4.320 -0.001 0.000 0.244 716 A CA 0.000 52.011 52.037 -0.043 0.000 0.836 716 A CB 0.000 18.975 19.000 -0.042 0.000 0.831 716 A HN 0.000 nan 8.150 nan 0.000 0.486