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 2ffv_1_A DATA FIRST_RESID 72 DATA SEQUENCE DALKVRWPDF NQEAYVGGXX XXXXXXPYAR NKFNQVESDK LRMDRAIPDT DATA SEQUENCE RHDQcQRKQW RVDLPATSVV ITFHNEARSA LLRTVVSVLK KSPPHLIKEI DATA SEQUENCE ILVDDYSNDP EDGALLGKIE KVRVLRNDRR EGLMRSRVRG ADAAQAKVLT DATA SEQUENCE FLDSHCECNE HWLEPLLERV AEDRTRVVSP IIDVINMDNF QYVGASADLK DATA SEQUENCE GGFDWNLVFK WDYMTPEQRR SRQGNPVAPI KTPMIAGGLF VMDKFYFEEL DATA SEQUENCE GKYDMMMDVW GGENLEISFR VWQcGGSLEI IPcSRVGHVF RKQHPYTFPG DATA SEQUENCE GSGTVFARNT RRAAEVWMDE YKNFYYAAVP SARNVPYGNI QSRLELRKKL DATA SEQUENCE ScKPFKWYLE NVYPELRVPD HQDIAFGALQ QGTNcLDTLG HFADGVVGVY DATA SEQUENCE EcHNXXGNQE WALTKEKSVK HMDLcLTVVD RAPGSLIKLQ GcRENDSRQK DATA SEQUENCE WEQIEGNSKL RHVGSNLcLD SRTAKSGGLS VEVcGPALSQ QWKFTLNLQ 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 72 D HA 0.000 nan 4.640 nan 0.000 0.175 72 D C 0.000 176.304 176.300 0.007 0.000 2.045 72 D CA 0.000 54.005 54.000 0.008 0.000 0.868 72 D CB 0.000 40.803 40.800 0.005 0.000 0.688 73 A N 0.074 122.898 122.820 0.007 0.000 2.016 73 A HA 0.542 4.860 4.320 -0.003 0.000 0.217 73 A C 2.464 180.053 177.584 0.008 0.000 1.162 73 A CA 2.786 54.826 52.037 0.005 0.000 0.662 73 A CB -0.463 18.540 19.000 0.004 0.000 0.812 73 A HN 1.646 nan 8.150 nan 0.000 0.450 74 L N -1.056 120.175 121.223 0.012 0.000 2.554 74 L HA 0.400 4.738 4.340 -0.003 0.000 0.225 74 L C 1.063 177.948 176.870 0.025 0.000 1.104 74 L CA 0.761 55.611 54.840 0.017 0.000 0.866 74 L CB -1.009 nan 42.059 nan 0.000 1.047 74 L HN 0.365 nan 8.230 nan 0.000 0.468 75 K N -0.785 119.629 120.400 0.024 0.000 2.168 75 K HA 0.807 5.125 4.320 -0.003 0.000 0.239 75 K C -1.142 175.479 176.600 0.035 0.000 0.999 75 K CA -0.516 55.791 56.287 0.033 0.000 0.900 75 K CB 2.552 35.069 32.500 0.027 0.000 1.111 75 K HN 0.064 nan 8.250 nan 0.000 0.452 76 V N 0.779 120.724 119.914 0.053 0.000 3.120 76 V HA 0.333 4.451 4.120 -0.003 0.000 0.303 76 V C -1.296 174.835 176.094 0.061 0.000 1.238 76 V CA -0.985 61.345 62.300 0.050 0.000 1.008 76 V CB 2.164 34.027 31.823 0.066 0.000 1.064 76 V HN 0.630 nan 8.190 nan 0.000 0.434 77 R N 3.808 124.319 120.500 0.018 0.000 2.694 77 R HA 0.134 4.472 4.340 -0.003 0.000 0.268 77 R C 1.341 177.657 176.300 0.026 0.000 1.061 77 R CA 0.270 56.361 56.100 -0.014 0.000 1.133 77 R CB 0.350 30.570 30.300 -0.133 0.000 1.020 77 R HN 0.981 nan 8.270 nan 0.000 0.475 78 W N 2.136 123.441 121.300 0.008 0.000 2.374 78 W HA -0.014 4.644 4.660 -0.003 0.000 0.288 78 W C -1.372 175.181 176.519 0.057 0.000 1.218 78 W CA 0.683 58.035 57.345 0.010 0.000 1.245 78 W CB -1.861 27.563 29.460 -0.061 0.000 1.126 78 W HN 0.407 nan 8.180 nan 0.000 0.545 79 P HA -0.122 nan 4.420 nan 0.000 0.219 79 P C 1.070 178.276 177.300 -0.156 0.000 1.146 79 P CA 2.092 64.858 63.100 -0.556 0.000 0.808 79 P CB -0.180 31.049 31.700 -0.785 0.000 0.779 80 D N -2.016 118.325 120.400 -0.098 0.000 2.349 80 D HA 0.002 4.640 4.640 -0.003 0.000 0.215 80 D C 0.440 176.763 176.300 0.038 0.000 1.016 80 D CA 0.010 53.990 54.000 -0.034 0.000 0.870 80 D CB -0.376 40.396 40.800 -0.047 0.000 0.917 80 D HN 0.174 nan 8.370 nan 0.000 0.524 81 F N 2.305 122.246 119.950 -0.014 0.000 2.578 81 F HA -0.014 4.511 4.527 -0.003 0.000 0.376 81 F C 0.913 176.718 175.800 0.008 0.000 1.085 81 F CA -0.330 57.671 58.000 0.003 0.000 1.260 81 F CB 0.444 39.458 39.000 0.022 0.000 1.095 81 F HN -0.263 nan 8.300 nan 0.000 0.573 82 N N 6.237 124.482 118.700 -0.758 0.000 2.739 82 N HA -0.031 4.707 4.740 -0.003 0.000 0.266 82 N C 0.886 176.137 175.510 -0.431 0.000 1.168 82 N CA -0.005 52.765 53.050 -0.468 0.000 1.055 82 N CB 0.486 38.745 38.487 -0.380 0.000 1.393 82 N HN 0.905 nan 8.380 nan 0.000 0.514 83 Q N 1.440 121.243 119.800 0.005 0.000 2.167 83 Q HA -0.124 4.214 4.340 -0.003 0.000 0.202 83 Q C 0.784 176.884 176.000 0.167 0.000 0.970 83 Q CA 1.092 57.060 55.803 0.275 0.000 0.855 83 Q CB -0.037 28.885 28.738 0.307 0.000 0.911 83 Q HN 0.510 nan 8.270 nan 0.000 0.438 84 E N 1.492 121.726 120.200 0.057 0.000 2.038 84 E HA -0.216 4.132 4.350 -0.003 0.000 0.195 84 E C 2.175 178.784 176.600 0.015 0.000 1.000 84 E CA 1.340 57.755 56.400 0.026 0.000 0.803 84 E CB -0.243 29.455 29.700 -0.004 0.000 0.750 84 E HN 0.544 nan 8.360 nan 0.000 0.448 85 A N 0.823 123.636 122.820 -0.011 0.000 1.902 85 A HA -0.227 4.091 4.320 -0.003 0.000 0.217 85 A C 2.072 179.678 177.584 0.036 0.000 1.181 85 A CA 1.530 53.558 52.037 -0.016 0.000 0.623 85 A CB -0.845 18.122 19.000 -0.055 0.000 0.818 85 A HN 0.387 nan 8.150 nan 0.000 0.443 86 Y N 0.900 121.173 120.300 -0.045 0.000 2.053 86 Y HA -0.227 4.321 4.550 -0.003 0.000 0.277 86 Y C 2.359 178.280 175.900 0.035 0.000 1.159 86 Y CA 2.211 60.340 58.100 0.049 0.000 1.125 86 Y CB -0.599 38.008 38.460 0.245 0.000 0.969 86 Y HN 0.059 nan 8.280 nan 0.000 0.492 87 V N 0.131 120.017 119.914 -0.046 0.000 2.759 87 V HA -0.167 3.951 4.120 -0.003 0.000 0.256 87 V C 2.533 178.541 176.094 -0.143 0.000 1.080 87 V CA 1.538 63.737 62.300 -0.168 0.000 1.101 87 V CB -1.451 30.352 31.823 -0.034 0.000 0.698 87 V HN 0.636 nan 8.190 nan 0.000 0.477 88 G N -0.159 108.590 108.800 -0.086 0.000 2.470 88 G HA2 0.172 4.130 3.960 -0.003 0.000 0.220 88 G HA3 0.172 4.130 3.960 -0.003 0.000 0.220 88 G C 0.681 175.529 174.900 -0.087 0.000 1.121 88 G CA 0.880 45.935 45.100 -0.074 0.000 0.766 88 G HN 0.669 nan 8.290 nan 0.000 0.553 99 Y N 0.844 121.134 120.300 -0.015 0.000 2.522 99 Y HA 0.445 4.993 4.550 -0.003 0.000 0.277 99 Y C 2.645 178.501 175.900 -0.073 0.000 1.104 99 Y CA 0.828 58.912 58.100 -0.027 0.000 1.260 99 Y CB -0.299 38.172 38.460 0.018 0.000 1.151 99 Y HN 0.070 nan 8.280 nan 0.000 0.539 100 A N 1.390 124.257 122.820 0.079 0.000 1.862 100 A HA -0.334 3.984 4.320 -0.003 0.000 0.217 100 A C 2.156 179.708 177.584 -0.054 0.000 1.251 100 A CA 2.504 54.553 52.037 0.021 0.000 0.673 100 A CB -1.010 17.997 19.000 0.011 0.000 0.843 100 A HN 0.423 nan 8.150 nan 0.000 0.458 101 R N -0.629 119.811 120.500 -0.099 0.000 2.267 101 R HA -0.225 4.113 4.340 -0.003 0.000 0.259 101 R C 0.259 176.416 176.300 -0.237 0.000 1.192 101 R CA 1.807 57.815 56.100 -0.153 0.000 1.013 101 R CB -0.418 29.782 30.300 -0.166 0.000 0.877 101 R HN 0.772 nan 8.270 nan 0.000 0.474 102 N N -1.644 116.851 118.700 -0.341 0.000 1.997 102 N HA 0.038 4.776 4.740 -0.003 0.000 0.225 102 N C -1.202 174.003 175.510 -0.509 0.000 1.383 102 N CA -0.296 52.428 53.050 -0.544 0.000 0.770 102 N CB 0.905 38.769 38.487 -1.039 0.000 1.178 102 N HN -0.175 nan 8.380 nan 0.000 0.515 103 K N 0.942 121.226 120.400 -0.194 0.000 3.419 103 K HA -0.176 4.142 4.320 -0.003 0.000 0.272 103 K C -1.171 175.572 176.600 0.237 0.000 0.973 103 K CA 1.017 57.339 56.287 0.059 0.000 0.749 103 K CB -1.905 30.645 32.500 0.082 0.000 1.403 103 K HN 0.560 nan 8.250 nan 0.000 0.456 104 F N -3.576 116.502 119.950 0.213 0.000 2.791 104 F HA 0.191 4.716 4.527 -0.003 0.000 0.322 104 F C -0.545 175.123 175.800 -0.220 0.000 1.117 104 F CA -1.383 56.720 58.000 0.172 0.000 0.953 104 F CB 0.284 39.331 39.000 0.079 0.000 1.254 104 F HN -0.084 nan 8.300 nan 0.000 0.461 105 N N 3.170 121.878 118.700 0.013 0.000 2.396 105 N HA -0.067 4.671 4.740 -0.003 0.000 0.287 105 N C 0.820 176.327 175.510 -0.006 0.000 1.316 105 N CA 0.790 53.613 53.050 -0.379 0.000 0.972 105 N CB 0.841 39.325 38.487 -0.006 0.000 1.341 105 N HN 0.973 nan 8.380 nan 0.000 0.487 106 Q N 2.835 122.539 119.800 -0.159 0.000 2.119 106 Q HA -0.091 4.247 4.340 -0.003 0.000 0.201 106 Q C 1.458 177.350 176.000 -0.179 0.000 0.972 106 Q CA 1.015 56.755 55.803 -0.106 0.000 0.847 106 Q CB 0.329 28.966 28.738 -0.169 0.000 0.903 106 Q HN 0.504 nan 8.270 nan 0.000 0.433 107 V N 1.104 120.911 119.914 -0.178 0.000 2.324 107 V HA -0.263 3.855 4.120 -0.003 0.000 0.250 107 V C 2.089 178.092 176.094 -0.152 0.000 1.060 107 V CA 2.209 64.427 62.300 -0.136 0.000 1.042 107 V CB -0.483 31.284 31.823 -0.093 0.000 0.650 107 V HN 0.346 nan 8.190 nan 0.000 0.450 108 E N -0.369 119.728 120.200 -0.172 0.000 2.152 108 E HA -0.129 4.219 4.350 -0.003 0.000 0.192 108 E C 2.455 178.784 176.600 -0.451 0.000 0.983 108 E CA 1.234 57.518 56.400 -0.193 0.000 0.818 108 E CB -0.367 29.317 29.700 -0.028 0.000 0.758 108 E HN 0.486 nan 8.360 nan 0.000 0.467 109 S N 0.263 115.522 115.700 -0.736 0.000 2.368 109 S HA -0.159 4.309 4.470 -0.003 0.000 0.225 109 S C 1.220 175.574 174.600 -0.410 0.000 1.030 109 S CA 1.538 59.188 58.200 -0.918 0.000 0.999 109 S CB -0.306 62.453 63.200 -0.736 0.000 0.844 109 S HN 0.241 nan 8.310 nan 0.000 0.459 110 D N 0.942 121.184 120.400 -0.263 0.000 2.310 110 D HA -0.019 4.619 4.640 -0.003 0.000 0.212 110 D C 1.841 178.070 176.300 -0.119 0.000 0.965 110 D CA 0.711 54.619 54.000 -0.154 0.000 0.879 110 D CB -0.182 40.544 40.800 -0.122 0.000 0.921 110 D HN 0.508 nan 8.370 nan 0.000 0.510 111 K N -0.114 120.204 120.400 -0.136 0.000 2.148 111 K HA -0.033 4.285 4.320 -0.003 0.000 0.204 111 K C 0.545 177.103 176.600 -0.070 0.000 1.050 111 K CA 0.241 56.477 56.287 -0.086 0.000 0.942 111 K CB 0.248 32.703 32.500 -0.075 0.000 0.724 111 K HN 0.048 nan 8.250 nan 0.000 0.446 112 L N 1.717 122.880 121.223 -0.100 0.000 2.436 112 L HA 0.150 4.488 4.340 -0.003 0.000 0.265 112 L C 0.621 177.469 176.870 -0.037 0.000 1.168 112 L CA 0.372 55.174 54.840 -0.064 0.000 0.815 112 L CB 0.257 42.268 42.059 -0.080 0.000 1.109 112 L HN 0.060 nan 8.230 nan 0.000 0.462 113 R N 2.493 122.988 120.500 -0.009 0.000 2.531 113 R HA 0.225 4.563 4.340 -0.003 0.000 0.273 113 R C 1.459 177.767 176.300 0.014 0.000 1.070 113 R CA -0.488 55.625 56.100 0.021 0.000 1.112 113 R CB 0.674 30.998 30.300 0.041 0.000 1.049 113 R HN 0.695 nan 8.270 nan 0.000 0.508 114 M N 0.417 120.043 119.600 0.043 0.000 2.267 114 M HA -0.135 4.343 4.480 -0.003 0.000 0.263 114 M C 0.253 176.520 176.300 -0.055 0.000 1.063 114 M CA 1.776 57.078 55.300 0.005 0.000 1.090 114 M CB -0.173 32.460 32.600 0.055 0.000 1.392 114 M HN 0.495 nan 8.290 nan 0.000 0.422 115 D N 1.081 121.484 120.400 0.005 0.000 2.593 115 D HA 0.111 4.749 4.640 -0.003 0.000 0.241 115 D C -0.168 176.122 176.300 -0.016 0.000 1.257 115 D CA -0.542 53.433 54.000 -0.042 0.000 0.828 115 D CB -0.378 40.486 40.800 0.105 0.000 1.049 115 D HN 0.524 nan 8.370 nan 0.000 0.490 116 R N 0.535 121.024 120.500 -0.019 0.000 2.619 116 R HA 0.278 4.616 4.340 -0.003 0.000 0.268 116 R C 0.051 176.327 176.300 -0.040 0.000 0.990 116 R CA -0.101 55.989 56.100 -0.015 0.000 1.092 116 R CB 0.167 30.459 30.300 -0.013 0.000 0.935 116 R HN -0.000 nan 8.270 nan 0.000 0.415 117 A N 4.648 127.449 122.820 -0.032 0.000 2.388 117 A HA 0.499 4.817 4.320 -0.003 0.000 0.257 117 A C 0.355 177.880 177.584 -0.098 0.000 1.095 117 A CA -0.731 51.271 52.037 -0.059 0.000 0.791 117 A CB -0.031 18.949 19.000 -0.032 0.000 1.029 117 A HN 0.821 nan 8.150 nan 0.000 0.489 118 I N -0.487 119.975 120.570 -0.181 0.000 2.689 118 I HA 0.662 4.830 4.170 -0.003 0.000 0.299 118 I C -2.779 173.149 176.117 -0.314 0.000 1.059 118 I CA -2.778 58.330 61.300 -0.321 0.000 1.055 118 I CB 1.747 39.348 38.000 -0.665 0.000 1.243 118 I HN 0.301 nan 8.210 nan 0.000 0.425 119 P HA 0.045 nan 4.420 nan 0.000 0.266 119 P C -0.944 176.265 177.300 -0.152 0.000 1.195 119 P CA 0.104 63.121 63.100 -0.139 0.000 0.768 119 P CB 0.318 31.999 31.700 -0.031 0.000 0.838 120 D N 1.863 122.232 120.400 -0.052 0.000 2.435 120 D HA 0.011 4.649 4.640 -0.003 0.000 0.230 120 D C 0.651 176.983 176.300 0.053 0.000 1.215 120 D CA -0.117 53.882 54.000 -0.002 0.000 0.947 120 D CB -0.159 40.660 40.800 0.031 0.000 1.048 120 D HN 0.274 nan 8.370 nan 0.000 0.512 121 T N 0.845 115.456 114.554 0.096 0.000 3.361 121 T HA 0.118 4.466 4.350 -0.003 0.000 0.251 121 T C 0.952 175.743 174.700 0.151 0.000 1.131 121 T CA -0.255 61.936 62.100 0.151 0.000 1.001 121 T CB -0.098 68.921 68.868 0.252 0.000 1.003 121 T HN 0.170 nan 8.240 nan 0.000 0.558 122 R N 0.662 121.247 120.500 0.143 0.000 2.577 122 R HA 0.370 4.708 4.340 -0.003 0.000 0.269 122 R C -0.039 176.359 176.300 0.164 0.000 1.084 122 R CA -0.741 55.462 56.100 0.172 0.000 1.163 122 R CB 0.343 30.755 30.300 0.186 0.000 1.100 122 R HN 0.426 nan 8.270 nan 0.000 0.547 123 H N 0.242 119.374 119.070 0.104 0.000 2.732 123 H HA -0.059 4.495 4.556 -0.003 0.000 0.351 123 H C 0.718 176.093 175.328 0.078 0.000 1.090 123 H CA 0.312 56.410 56.048 0.082 0.000 1.431 123 H CB 0.907 30.717 29.762 0.079 0.000 1.447 123 H HN 0.645 nan 8.280 nan 0.000 0.582 124 D N 2.467 122.600 120.400 -0.445 0.000 2.170 124 D HA -0.284 4.354 4.640 -0.003 0.000 0.193 124 D C 1.820 178.098 176.300 -0.037 0.000 1.004 124 D CA 1.950 55.810 54.000 -0.234 0.000 0.860 124 D CB 0.086 40.693 40.800 -0.321 0.000 0.931 124 D HN 0.707 nan 8.370 nan 0.000 0.448 125 Q N -0.588 119.289 119.800 0.128 0.000 2.112 125 Q HA -0.150 4.188 4.340 -0.003 0.000 0.206 125 Q C 2.286 178.367 176.000 0.135 0.000 0.987 125 Q CA 1.915 57.846 55.803 0.214 0.000 0.858 125 Q CB -0.549 28.412 28.738 0.371 0.000 0.905 125 Q HN 0.501 nan 8.270 nan 0.000 0.420 126 c N -0.165 118.552 118.600 0.196 0.000 2.429 126 c HA -0.171 4.397 4.570 -0.003 0.000 0.277 126 c C 2.575 176.753 174.090 0.148 0.000 1.262 126 c CA 1.004 57.462 56.329 0.214 0.000 1.733 126 c CB -1.180 41.510 42.510 0.300 0.000 2.010 126 c HN 0.685 nan 8.230 nan 0.000 0.483 127 Q N 0.949 120.820 119.800 0.118 0.000 2.096 127 Q HA -0.238 4.100 4.340 -0.003 0.000 0.208 127 Q C 1.624 177.624 176.000 0.001 0.000 0.993 127 Q CA 1.624 57.473 55.803 0.078 0.000 0.862 127 Q CB -0.154 28.616 28.738 0.054 0.000 0.915 127 Q HN 0.602 nan 8.270 nan 0.000 0.416 128 R N 0.827 121.308 120.500 -0.031 0.000 3.570 128 R HA 0.213 4.551 4.340 -0.003 0.000 0.233 128 R C -1.327 174.875 176.300 -0.164 0.000 1.492 128 R CA -0.061 55.990 56.100 -0.082 0.000 1.504 128 R CB 0.118 30.386 30.300 -0.053 0.000 1.314 128 R HN -0.030 nan 8.270 nan 0.000 0.687 129 K N 1.181 121.405 120.400 -0.293 0.000 2.523 129 K HA 0.204 4.522 4.320 -0.003 0.000 0.257 129 K C -1.555 174.519 176.600 -0.877 0.000 0.932 129 K CA -0.796 55.156 56.287 -0.558 0.000 0.812 129 K CB 1.945 34.033 32.500 -0.687 0.000 1.326 129 K HN 0.064 nan 8.250 nan 0.000 0.433 130 Q N 2.133 121.454 119.800 -0.798 0.000 2.235 130 Q HA 0.503 4.841 4.340 -0.003 0.000 0.256 130 Q C -1.861 173.665 176.000 -0.790 0.000 0.951 130 Q CA -0.307 55.086 55.803 -0.683 0.000 0.890 130 Q CB 0.956 29.508 28.738 -0.311 0.000 1.279 130 Q HN 0.461 nan 8.270 nan 0.000 0.444 131 W N 2.860 124.134 121.300 -0.042 0.000 2.702 131 W HA 0.500 5.158 4.660 -0.003 0.000 0.331 131 W C -0.350 176.164 176.519 -0.009 0.000 1.049 131 W CA -1.152 56.177 57.345 -0.026 0.000 1.230 131 W CB 0.866 30.308 29.460 -0.030 0.000 1.408 131 W HN 0.508 nan 8.180 nan 0.000 0.492 132 R N 0.963 121.581 120.500 0.196 0.000 2.504 132 R HA 0.097 4.435 4.340 -0.003 0.000 0.291 132 R C 0.390 176.771 176.300 0.136 0.000 0.974 132 R CA -0.353 55.818 56.100 0.118 0.000 1.077 132 R CB 0.221 30.573 30.300 0.086 0.000 0.926 132 R HN 0.519 nan 8.270 nan 0.000 0.407 133 V N 1.677 121.656 119.914 0.108 0.000 2.759 133 V HA -0.190 3.928 4.120 -0.003 0.000 0.256 133 V C 1.186 177.356 176.094 0.128 0.000 1.080 133 V CA 1.952 64.327 62.300 0.125 0.000 1.101 133 V CB -0.789 31.066 31.823 0.054 0.000 0.698 133 V HN 0.894 nan 8.190 nan 0.000 0.477 134 D N 0.108 120.557 120.400 0.081 0.000 2.344 134 D HA 0.029 4.667 4.640 -0.003 0.000 0.242 134 D C 0.424 176.755 176.300 0.051 0.000 1.159 134 D CA -0.073 53.965 54.000 0.062 0.000 0.859 134 D CB -0.689 40.134 40.800 0.039 0.000 0.925 134 D HN 0.330 nan 8.370 nan 0.000 0.510 135 L N 1.667 122.924 121.223 0.058 0.000 2.455 135 L HA 0.179 4.517 4.340 -0.003 0.000 0.272 135 L C -1.670 175.186 176.870 -0.024 0.000 1.174 135 L CA -1.541 53.303 54.840 0.006 0.000 0.869 135 L CB 0.131 42.176 42.059 -0.025 0.000 1.130 135 L HN -0.102 nan 8.230 nan 0.000 0.474 136 P HA 0.066 nan 4.420 nan 0.000 0.268 136 P C -0.483 176.758 177.300 -0.099 0.000 1.204 136 P CA -0.342 62.725 63.100 -0.056 0.000 0.768 136 P CB 0.907 32.574 31.700 -0.055 0.000 0.842 137 A N 3.173 125.935 122.820 -0.096 0.000 2.429 137 A HA 0.407 4.725 4.320 -0.003 0.000 0.242 137 A C 0.571 178.070 177.584 -0.141 0.000 1.088 137 A CA 0.358 52.316 52.037 -0.132 0.000 0.784 137 A CB -0.227 18.715 19.000 -0.097 0.000 1.038 137 A HN 0.601 nan 8.150 nan 0.000 0.501 138 T N -0.408 114.049 114.554 -0.162 0.000 2.906 138 T HA 0.576 4.924 4.350 -0.003 0.000 0.295 138 T C -0.523 174.080 174.700 -0.160 0.000 1.075 138 T CA -0.380 61.620 62.100 -0.168 0.000 1.005 138 T CB 1.124 69.877 68.868 -0.191 0.000 1.136 138 T HN 0.612 nan 8.240 nan 0.000 0.498 139 S N 1.691 117.280 115.700 -0.184 0.000 2.437 139 S HA 0.557 5.025 4.470 -0.003 0.000 0.305 139 S C -0.517 173.945 174.600 -0.230 0.000 1.109 139 S CA -0.576 57.515 58.200 -0.182 0.000 1.099 139 S CB 1.198 64.286 63.200 -0.186 0.000 1.004 139 S HN 0.577 nan 8.310 nan 0.000 0.475 140 V N 4.691 124.499 119.914 -0.178 0.000 2.385 140 V HA 0.298 4.416 4.120 -0.003 0.000 0.269 140 V C -0.199 175.772 176.094 -0.204 0.000 1.043 140 V CA -0.490 61.701 62.300 -0.182 0.000 0.906 140 V CB 1.204 32.975 31.823 -0.087 0.000 0.995 140 V HN 0.655 nan 8.190 nan 0.000 0.467 141 V N 7.352 127.083 119.914 -0.305 0.000 2.347 141 V HA 0.471 4.589 4.120 -0.003 0.000 0.280 141 V C -0.048 176.000 176.094 -0.077 0.000 1.021 141 V CA -0.290 61.883 62.300 -0.212 0.000 0.847 141 V CB 1.341 32.966 31.823 -0.329 0.000 0.990 141 V HN 0.657 nan 8.190 nan 0.000 0.444 142 I N 4.066 124.627 120.570 -0.016 0.000 2.382 142 I HA 0.375 4.543 4.170 -0.003 0.000 0.286 142 I C 0.219 176.415 176.117 0.131 0.000 1.002 142 I CA -0.074 61.246 61.300 0.033 0.000 1.135 142 I CB 1.940 39.939 38.000 -0.002 0.000 1.288 142 I HN 0.518 nan 8.210 nan 0.000 0.448 143 T N 6.801 121.429 114.554 0.122 0.000 2.895 143 T HA 0.800 5.148 4.350 -0.003 0.000 0.283 143 T C -0.851 173.979 174.700 0.217 0.000 1.014 143 T CA -0.271 61.889 62.100 0.099 0.000 1.037 143 T CB 0.818 69.694 68.868 0.013 0.000 1.006 143 T HN 0.435 nan 8.240 nan 0.000 0.468 144 F N 1.652 121.615 119.950 0.021 0.000 2.719 144 F HA 0.634 5.159 4.527 -0.003 0.000 0.309 144 F C -1.681 174.187 175.800 0.114 0.000 1.138 144 F CA -1.219 56.813 58.000 0.054 0.000 0.943 144 F CB 1.222 40.244 39.000 0.037 0.000 1.304 144 F HN 0.642 nan 8.300 nan 0.000 0.445 145 H N 2.058 121.248 119.070 0.201 0.000 3.177 145 H HA 0.424 4.978 4.556 -0.003 0.000 0.314 145 H C -0.958 174.461 175.328 0.152 0.000 1.059 145 H CA -0.740 55.358 56.048 0.084 0.000 1.515 145 H CB 0.272 30.030 29.762 -0.006 0.000 1.672 145 H HN 0.757 nan 8.280 nan 0.000 0.514 146 N N 2.828 121.453 118.700 -0.125 0.000 2.537 146 N HA -0.225 4.513 4.740 -0.003 0.000 0.286 146 N C -0.599 174.881 175.510 -0.049 0.000 1.245 146 N CA 1.108 54.056 53.050 -0.169 0.000 0.704 146 N CB -0.373 37.864 38.487 -0.416 0.000 0.910 146 N HN 0.805 nan 8.380 nan 0.000 0.542 147 E N 0.275 120.489 120.200 0.023 0.000 2.235 147 E HA 0.765 5.113 4.350 -0.003 0.000 0.265 147 E C -0.637 175.920 176.600 -0.071 0.000 0.940 147 E CA -0.718 55.676 56.400 -0.010 0.000 0.819 147 E CB 1.191 30.873 29.700 -0.030 0.000 1.206 147 E HN 0.423 nan 8.360 nan 0.000 0.409 148 A N 3.626 126.428 122.820 -0.029 0.000 2.454 148 A HA 0.181 4.499 4.320 -0.003 0.000 0.260 148 A C 0.873 178.430 177.584 -0.045 0.000 1.106 148 A CA 0.056 52.067 52.037 -0.042 0.000 0.780 148 A CB 0.145 19.190 19.000 0.075 0.000 1.044 148 A HN 0.799 nan 8.150 nan 0.000 0.498 149 R N 1.697 122.125 120.500 -0.121 0.000 2.096 149 R HA -0.202 4.136 4.340 -0.003 0.000 0.240 149 R C 2.513 178.849 176.300 0.061 0.000 1.139 149 R CA 2.052 58.080 56.100 -0.120 0.000 0.952 149 R CB -0.399 29.573 30.300 -0.547 0.000 0.854 149 R HN 0.958 nan 8.270 nan 0.000 0.436 150 S N 0.760 116.456 115.700 -0.007 0.000 2.359 150 S HA -0.163 4.305 4.470 -0.003 0.000 0.224 150 S C 2.272 176.865 174.600 -0.012 0.000 1.035 150 S CA 1.134 59.338 58.200 0.007 0.000 1.018 150 S CB -0.384 62.772 63.200 -0.074 0.000 0.876 150 S HN 0.412 nan 8.310 nan 0.000 0.448 151 A N 1.933 124.752 122.820 -0.002 0.000 1.902 151 A HA 0.086 4.404 4.320 -0.003 0.000 0.217 151 A C 2.253 179.811 177.584 -0.044 0.000 1.181 151 A CA 1.563 53.603 52.037 0.006 0.000 0.623 151 A CB -0.929 18.152 19.000 0.135 0.000 0.818 151 A HN 0.512 nan 8.150 nan 0.000 0.443 152 L N -0.490 120.696 121.223 -0.062 0.000 1.970 152 L HA -0.144 4.195 4.340 -0.003 0.000 0.212 152 L C 2.285 179.049 176.870 -0.176 0.000 1.071 152 L CA 2.356 57.093 54.840 -0.171 0.000 0.751 152 L CB -0.784 41.111 42.059 -0.273 0.000 0.889 152 L HN 0.367 nan 8.230 nan 0.000 0.432 153 L N 0.093 121.251 121.223 -0.108 0.000 2.012 153 L HA -0.231 4.107 4.340 -0.003 0.000 0.210 153 L C 2.723 179.468 176.870 -0.207 0.000 1.073 153 L CA 2.259 56.977 54.840 -0.204 0.000 0.748 153 L CB -0.876 41.120 42.059 -0.104 0.000 0.891 153 L HN 0.438 nan 8.230 nan 0.000 0.431 154 R N -1.385 119.032 120.500 -0.139 0.000 2.152 154 R HA -0.131 4.207 4.340 -0.003 0.000 0.232 154 R C 1.852 178.025 176.300 -0.211 0.000 1.117 154 R CA 1.709 57.714 56.100 -0.158 0.000 0.981 154 R CB -0.246 29.990 30.300 -0.106 0.000 0.870 154 R HN 0.511 nan 8.270 nan 0.000 0.451 155 T N -0.170 114.257 114.554 -0.211 0.000 2.732 155 T HA -0.061 4.287 4.350 -0.003 0.000 0.261 155 T C 1.823 176.354 174.700 -0.281 0.000 1.040 155 T CA 1.271 63.224 62.100 -0.246 0.000 1.145 155 T CB -0.193 68.537 68.868 -0.229 0.000 0.866 155 T HN -0.003 nan 8.240 nan 0.000 0.427 156 V N 1.997 121.746 119.914 -0.276 0.000 2.231 156 V HA -0.172 3.946 4.120 -0.003 0.000 0.248 156 V C 2.783 178.668 176.094 -0.349 0.000 1.054 156 V CA 2.087 64.216 62.300 -0.286 0.000 1.015 156 V CB -0.939 30.706 31.823 -0.297 0.000 0.638 156 V HN 0.481 nan 8.190 nan 0.000 0.444 157 V N -0.709 118.950 119.914 -0.424 0.000 2.759 157 V HA -0.184 3.934 4.120 -0.003 0.000 0.256 157 V C 2.499 178.207 176.094 -0.644 0.000 1.080 157 V CA 2.514 64.419 62.300 -0.658 0.000 1.101 157 V CB -0.204 31.179 31.823 -0.734 0.000 0.698 157 V HN 0.617 nan 8.190 nan 0.000 0.477 158 S N -0.245 115.187 115.700 -0.447 0.000 2.370 158 S HA -0.169 4.299 4.470 -0.003 0.000 0.226 158 S C 1.885 176.274 174.600 -0.352 0.000 1.033 158 S CA 2.249 60.215 58.200 -0.390 0.000 1.011 158 S CB -0.450 62.541 63.200 -0.349 0.000 0.852 158 S HN 0.570 nan 8.310 nan 0.000 0.457 159 V N 2.056 121.783 119.914 -0.311 0.000 2.270 159 V HA -0.096 4.022 4.120 -0.003 0.000 0.245 159 V C 2.519 178.563 176.094 -0.083 0.000 1.043 159 V CA 1.866 64.086 62.300 -0.132 0.000 1.014 159 V CB -0.791 30.974 31.823 -0.096 0.000 0.645 159 V HN 0.478 nan 8.190 nan 0.000 0.447 160 L N -0.001 121.086 121.223 -0.227 0.000 2.079 160 L HA -0.235 4.103 4.340 -0.003 0.000 0.210 160 L C 2.569 179.333 176.870 -0.175 0.000 1.081 160 L CA 2.129 56.845 54.840 -0.207 0.000 0.752 160 L CB -0.537 41.325 42.059 -0.329 0.000 0.896 160 L HN 0.356 nan 8.230 nan 0.000 0.433 161 K N 0.070 120.254 120.400 -0.360 0.000 2.211 161 K HA -0.104 4.214 4.320 -0.003 0.000 0.201 161 K C 1.788 178.355 176.600 -0.056 0.000 1.052 161 K CA 0.729 56.908 56.287 -0.179 0.000 0.973 161 K CB 0.311 32.564 32.500 -0.411 0.000 0.766 161 K HN -0.073 nan 8.250 nan 0.000 0.466 162 K N 0.721 121.090 120.400 -0.052 0.000 2.404 162 K HA 0.096 4.414 4.320 -0.003 0.000 0.194 162 K C -0.572 176.091 176.600 0.106 0.000 1.023 162 K CA -0.057 56.254 56.287 0.039 0.000 1.094 162 K CB 0.870 33.404 32.500 0.056 0.000 0.841 162 K HN 0.180 nan 8.250 nan 0.000 0.523 163 S N -0.455 115.292 115.700 0.079 0.000 2.548 163 S HA 0.568 5.036 4.470 -0.003 0.000 0.286 163 S C -2.944 171.613 174.600 -0.071 0.000 1.098 163 S CA -2.066 56.094 58.200 -0.066 0.000 0.930 163 S CB 1.863 64.992 63.200 -0.118 0.000 1.070 163 S HN -0.215 nan 8.310 nan 0.000 0.480 164 P HA 0.179 nan 4.420 nan 0.000 0.258 164 P C -1.968 175.302 177.300 -0.051 0.000 1.187 164 P CA -0.771 62.318 63.100 -0.018 0.000 0.767 164 P CB -0.110 31.564 31.700 -0.043 0.000 0.770 165 P HA -0.239 nan 4.420 nan 0.000 0.217 165 P C 1.229 178.552 177.300 0.038 0.000 1.148 165 P CA 1.503 64.636 63.100 0.054 0.000 0.834 165 P CB -0.446 31.312 31.700 0.097 0.000 0.783 166 H N -1.456 117.606 119.070 -0.014 0.000 2.555 166 H HA 0.100 4.654 4.556 -0.003 0.000 0.269 166 H C 1.322 176.625 175.328 -0.042 0.000 0.988 166 H CA 0.629 56.664 56.048 -0.021 0.000 1.178 166 H CB -0.835 28.919 29.762 -0.013 0.000 1.373 166 H HN 0.216 nan 8.280 nan 0.000 0.588 167 L N 0.765 121.668 121.223 -0.534 0.000 2.640 167 L HA 0.294 4.632 4.340 -0.003 0.000 0.230 167 L C 0.472 177.190 176.870 -0.253 0.000 1.123 167 L CA 0.078 54.652 54.840 -0.442 0.000 0.900 167 L CB 0.511 42.245 42.059 -0.542 0.000 1.146 167 L HN 0.111 nan 8.230 nan 0.000 0.484 168 I N 0.482 120.947 120.570 -0.175 0.000 2.479 168 I HA 0.098 4.266 4.170 -0.003 0.000 0.279 168 I C 1.093 177.163 176.117 -0.077 0.000 1.102 168 I CA -0.272 60.959 61.300 -0.116 0.000 1.196 168 I CB 1.111 39.061 38.000 -0.082 0.000 1.427 168 I HN -0.014 nan 8.210 nan 0.000 0.503 169 K N 4.318 124.668 120.400 -0.084 0.000 2.074 169 K HA -0.117 4.201 4.320 -0.003 0.000 0.209 169 K C 0.514 177.082 176.600 -0.053 0.000 1.048 169 K CA 1.604 57.854 56.287 -0.062 0.000 0.926 169 K CB 0.228 32.684 32.500 -0.074 0.000 0.713 169 K HN 0.800 nan 8.250 nan 0.000 0.444 170 E N -1.593 118.567 120.200 -0.067 0.000 2.392 170 E HA 0.190 4.538 4.350 -0.003 0.000 0.281 170 E C -1.218 175.339 176.600 -0.072 0.000 1.088 170 E CA -0.560 55.805 56.400 -0.058 0.000 0.850 170 E CB 0.415 30.083 29.700 -0.053 0.000 1.267 170 E HN -0.052 nan 8.360 nan 0.000 0.438 171 I N 2.530 123.062 120.570 -0.064 0.000 2.382 171 I HA 0.361 4.529 4.170 -0.003 0.000 0.285 171 I C -0.388 175.693 176.117 -0.060 0.000 1.007 171 I CA -0.796 60.460 61.300 -0.074 0.000 1.142 171 I CB 1.106 39.057 38.000 -0.081 0.000 1.289 171 I HN 0.406 nan 8.210 nan 0.000 0.453 172 I N 7.094 127.625 120.570 -0.064 0.000 2.304 172 I HA 0.235 4.403 4.170 -0.003 0.000 0.291 172 I C -0.733 175.381 176.117 -0.005 0.000 1.018 172 I CA -0.705 60.572 61.300 -0.038 0.000 1.260 172 I CB 1.168 39.136 38.000 -0.053 0.000 1.390 172 I HN 0.279 nan 8.210 nan 0.000 0.475 173 L N 8.073 129.319 121.223 0.037 0.000 2.265 173 L HA 0.337 4.675 4.340 -0.003 0.000 0.289 173 L C -0.117 176.811 176.870 0.096 0.000 1.033 173 L CA -0.358 54.559 54.840 0.129 0.000 0.814 173 L CB 1.490 43.668 42.059 0.198 0.000 1.203 173 L HN 0.248 nan 8.230 nan 0.000 0.423 174 V N 2.952 122.889 119.914 0.039 0.000 2.320 174 V HA 0.163 4.281 4.120 -0.003 0.000 0.265 174 V C 0.008 175.865 176.094 -0.395 0.000 1.048 174 V CA -0.753 61.489 62.300 -0.097 0.000 0.865 174 V CB 1.089 32.872 31.823 -0.067 0.000 1.043 174 V HN 0.635 nan 8.190 nan 0.000 0.474 175 D N 3.987 124.104 120.400 -0.473 0.000 2.383 175 D HA -0.009 4.629 4.640 -0.003 0.000 0.245 175 D C 0.234 176.235 176.300 -0.497 0.000 1.263 175 D CA -0.226 53.214 54.000 -0.933 0.000 0.936 175 D CB 0.674 41.260 40.800 -0.357 0.000 1.053 175 D HN 0.500 nan 8.370 nan 0.000 0.507 176 D N 3.558 123.658 120.400 -0.500 0.000 2.597 176 D HA -0.065 4.573 4.640 -0.003 0.000 0.228 176 D C -0.239 176.110 176.300 0.082 0.000 1.120 176 D CA -0.156 53.749 54.000 -0.159 0.000 1.083 176 D CB -1.047 39.668 40.800 -0.141 0.000 1.116 176 D HN 0.392 nan 8.370 nan 0.000 0.487 177 Y N 0.853 121.105 120.300 -0.080 0.000 3.078 177 Y HA -0.324 4.224 4.550 -0.003 0.000 0.202 177 Y C -0.324 175.666 175.900 0.151 0.000 1.322 177 Y CA 0.274 58.386 58.100 0.020 0.000 1.118 177 Y CB -1.909 36.546 38.460 -0.009 0.000 1.343 177 Y HN 0.119 nan 8.280 nan 0.000 0.499 178 S N 1.751 117.424 115.700 -0.045 0.000 2.576 178 S HA 0.085 4.553 4.470 -0.003 0.000 0.276 178 S C 1.316 175.768 174.600 -0.248 0.000 1.339 178 S CA -0.295 57.830 58.200 -0.126 0.000 1.039 178 S CB 0.755 63.968 63.200 0.020 0.000 0.902 178 S HN 0.575 nan 8.310 nan 0.000 0.516 179 N N 1.728 120.284 118.700 -0.240 0.000 2.192 179 N HA -0.118 4.620 4.740 -0.003 0.000 0.188 179 N C 0.160 175.575 175.510 -0.159 0.000 1.013 179 N CA 1.101 54.019 53.050 -0.219 0.000 0.863 179 N CB -0.199 38.198 38.487 -0.151 0.000 0.990 179 N HN 0.585 nan 8.380 nan 0.000 0.430 180 D N -0.105 120.232 120.400 -0.104 0.000 2.460 180 D HA 0.245 4.883 4.640 -0.003 0.000 0.232 180 D C -1.874 174.421 176.300 -0.009 0.000 1.079 180 D CA -2.422 51.544 54.000 -0.056 0.000 0.864 180 D CB 1.559 42.330 40.800 -0.048 0.000 1.048 180 D HN -0.125 nan 8.370 nan 0.000 0.523 181 P HA -0.168 nan 4.420 nan 0.000 0.217 181 P C 1.070 178.418 177.300 0.080 0.000 1.151 181 P CA 0.939 64.057 63.100 0.031 0.000 0.849 181 P CB 0.416 32.127 31.700 0.018 0.000 0.787 182 E N -0.373 119.868 120.200 0.069 0.000 2.160 182 E HA -0.195 4.153 4.350 -0.003 0.000 0.195 182 E C 1.523 178.228 176.600 0.175 0.000 0.991 182 E CA 1.066 57.529 56.400 0.105 0.000 0.810 182 E CB -0.806 28.936 29.700 0.071 0.000 0.742 182 E HN 0.393 nan 8.360 nan 0.000 0.466 183 D N -0.003 120.485 120.400 0.148 0.000 2.133 183 D HA -0.155 4.483 4.640 -0.003 0.000 0.195 183 D C 1.932 178.399 176.300 0.277 0.000 0.997 183 D CA 1.698 55.812 54.000 0.190 0.000 0.840 183 D CB -0.470 40.398 40.800 0.114 0.000 0.947 183 D HN 0.352 nan 8.370 nan 0.000 0.452 184 G N 0.257 109.231 108.800 0.290 0.000 2.510 184 G HA2 0.110 4.068 3.960 -0.003 0.000 0.212 184 G HA3 0.110 4.068 3.960 -0.003 0.000 0.212 184 G C 1.697 176.701 174.900 0.174 0.000 1.151 184 G CA 0.811 46.088 45.100 0.295 0.000 0.817 184 G HN 0.380 nan 8.290 nan 0.000 0.534 185 A N 1.425 124.341 122.820 0.160 0.000 1.859 185 A HA -0.048 4.270 4.320 -0.003 0.000 0.217 185 A C 2.325 179.978 177.584 0.116 0.000 1.198 185 A CA 1.484 53.590 52.037 0.117 0.000 0.629 185 A CB -0.763 18.299 19.000 0.102 0.000 0.830 185 A HN 0.327 nan 8.150 nan 0.000 0.446 186 L N -0.628 120.695 121.223 0.166 0.000 2.351 186 L HA -0.175 4.163 4.340 -0.003 0.000 0.220 186 L C 1.967 178.925 176.870 0.145 0.000 1.127 186 L CA 0.656 55.612 54.840 0.193 0.000 0.786 186 L CB -0.501 41.762 42.059 0.340 0.000 0.914 186 L HN 0.392 nan 8.230 nan 0.000 0.443 187 L N -1.149 120.075 121.223 0.000 0.000 2.567 187 L HA 0.093 4.431 4.340 -0.003 0.000 0.225 187 L C 2.458 179.285 176.870 -0.071 0.000 1.119 187 L CA 0.340 55.076 54.840 -0.172 0.000 0.871 187 L CB -0.556 41.324 42.059 -0.299 0.000 1.036 187 L HN 0.217 nan 8.230 nan 0.000 0.459 188 G N 0.182 108.987 108.800 0.009 0.000 2.471 188 G HA2 -0.202 3.756 3.960 -0.003 0.000 0.219 188 G HA3 -0.202 3.756 3.960 -0.003 0.000 0.219 188 G C 1.626 176.544 174.900 0.031 0.000 1.125 188 G CA 0.231 45.341 45.100 0.018 0.000 0.775 188 G HN 0.271 nan 8.290 nan 0.000 0.548 189 K N -0.395 120.046 120.400 0.069 0.000 2.209 189 K HA 0.040 4.358 4.320 -0.003 0.000 0.204 189 K C 0.667 177.321 176.600 0.089 0.000 1.048 189 K CA 0.159 56.503 56.287 0.095 0.000 0.940 189 K CB -0.066 32.528 32.500 0.157 0.000 0.729 189 K HN 0.332 nan 8.250 nan 0.000 0.451 190 I N 2.556 123.156 120.570 0.051 0.000 2.575 190 I HA -0.051 4.117 4.170 -0.003 0.000 0.285 190 I C 0.401 176.530 176.117 0.020 0.000 1.085 190 I CA -0.441 60.877 61.300 0.029 0.000 1.403 190 I CB 0.771 38.716 38.000 -0.091 0.000 1.409 190 I HN 0.186 nan 8.210 nan 0.000 0.557 191 E N 7.278 127.507 120.200 0.048 0.000 2.608 191 E HA -0.069 4.279 4.350 -0.003 0.000 0.259 191 E C -0.085 176.527 176.600 0.020 0.000 0.951 191 E CA -0.350 56.075 56.400 0.041 0.000 0.945 191 E CB 0.274 30.014 29.700 0.068 0.000 0.916 191 E HN 0.513 nan 8.360 nan 0.000 0.477 192 K N -0.317 120.087 120.400 0.007 0.000 3.316 192 K HA -0.172 4.146 4.320 -0.003 0.000 0.330 192 K C 0.145 176.730 176.600 -0.025 0.000 0.731 192 K CA 1.326 57.606 56.287 -0.010 0.000 1.453 192 K CB -2.132 30.360 32.500 -0.013 0.000 1.256 192 K HN 0.504 nan 8.250 nan 0.000 0.470 193 V N 3.994 123.888 119.914 -0.033 0.000 2.450 193 V HA 0.078 4.196 4.120 -0.003 0.000 0.281 193 V C 0.850 176.931 176.094 -0.022 0.000 1.019 193 V CA 0.408 62.682 62.300 -0.044 0.000 1.062 193 V CB 0.182 31.960 31.823 -0.075 0.000 0.979 193 V HN 0.123 nan 8.190 nan 0.000 0.477 194 R N 3.514 124.004 120.500 -0.016 0.000 2.562 194 R HA 0.753 5.091 4.340 -0.003 0.000 0.298 194 R C -1.041 175.265 176.300 0.010 0.000 0.961 194 R CA -0.726 55.373 56.100 -0.002 0.000 0.881 194 R CB 2.471 32.767 30.300 -0.007 0.000 1.159 194 R HN 0.543 nan 8.270 nan 0.000 0.450 195 V N 4.748 124.677 119.914 0.025 0.000 2.487 195 V HA 0.451 4.569 4.120 -0.003 0.000 0.298 195 V C -1.390 174.724 176.094 0.034 0.000 1.028 195 V CA -0.869 61.458 62.300 0.046 0.000 0.860 195 V CB 1.482 33.351 31.823 0.078 0.000 0.991 195 V HN 0.468 nan 8.190 nan 0.000 0.427 196 L N 6.875 128.110 121.223 0.020 0.000 2.334 196 L HA 0.711 5.049 4.340 -0.003 0.000 0.275 196 L C 0.341 177.202 176.870 -0.015 0.000 1.036 196 L CA -0.052 54.790 54.840 0.004 0.000 0.807 196 L CB 1.393 43.449 42.059 -0.004 0.000 1.231 196 L HN 0.680 nan 8.230 nan 0.000 0.438 197 R N 1.497 121.994 120.500 -0.004 0.000 2.803 197 R HA 0.508 4.846 4.340 -0.003 0.000 0.276 197 R C -1.006 175.298 176.300 0.008 0.000 0.978 197 R CA -0.742 55.356 56.100 -0.004 0.000 0.939 197 R CB 1.821 32.137 30.300 0.028 0.000 1.179 197 R HN 0.725 nan 8.270 nan 0.000 0.472 198 N N 0.656 119.374 118.700 0.031 0.000 2.362 198 N HA 0.109 4.847 4.740 -0.003 0.000 0.298 198 N C -0.349 175.198 175.510 0.062 0.000 1.048 198 N CA -0.750 52.312 53.050 0.021 0.000 0.858 198 N CB 1.599 40.077 38.487 -0.015 0.000 1.218 198 N HN 0.433 nan 8.380 nan 0.000 0.488 199 D N 1.224 121.604 120.400 -0.034 0.000 2.178 199 D HA -0.082 4.556 4.640 -0.003 0.000 0.201 199 D C 0.314 176.375 176.300 -0.398 0.000 0.980 199 D CA 1.585 55.536 54.000 -0.081 0.000 0.842 199 D CB 0.271 41.019 40.800 -0.086 0.000 0.948 199 D HN 0.606 nan 8.370 nan 0.000 0.472 200 R N -1.673 118.506 120.500 -0.534 0.000 2.734 200 R HA 0.419 4.757 4.340 -0.003 0.000 0.271 200 R C -0.609 175.361 176.300 -0.550 0.000 1.021 200 R CA -0.912 54.607 56.100 -0.970 0.000 0.893 200 R CB 1.110 31.085 30.300 -0.543 0.000 1.244 200 R HN -0.370 nan 8.270 nan 0.000 0.464 201 R N 1.299 121.521 120.500 -0.464 0.000 2.480 201 R HA -0.015 4.323 4.340 -0.003 0.000 0.303 201 R C -0.288 175.881 176.300 -0.218 0.000 0.985 201 R CA 0.593 56.559 56.100 -0.223 0.000 1.051 201 R CB 0.371 30.535 30.300 -0.227 0.000 0.935 201 R HN 0.816 nan 8.270 nan 0.000 0.410 202 E N 1.950 122.037 120.200 -0.187 0.000 2.485 202 E HA 0.153 4.501 4.350 -0.003 0.000 0.213 202 E C 0.781 177.282 176.600 -0.164 0.000 0.923 202 E CA 0.500 56.807 56.400 -0.154 0.000 1.054 202 E CB 0.571 30.200 29.700 -0.119 0.000 1.077 202 E HN 0.904 nan 8.360 nan 0.000 0.509 203 G N 1.765 110.444 108.800 -0.203 0.000 2.746 203 G HA2 -0.270 3.688 3.960 -0.003 0.000 0.685 203 G HA3 -0.270 3.688 3.960 -0.003 0.000 0.685 203 G C 0.404 175.190 174.900 -0.190 0.000 1.350 203 G CA -0.074 44.897 45.100 -0.214 0.000 0.837 203 G HN 0.211 nan 8.290 nan 0.000 0.564 204 L N 0.087 121.189 121.223 -0.202 0.000 2.012 204 L HA -0.089 4.249 4.340 -0.003 0.000 0.210 204 L C 2.994 179.654 176.870 -0.350 0.000 1.073 204 L CA 2.910 57.612 54.840 -0.229 0.000 0.748 204 L CB -0.304 41.626 42.059 -0.216 0.000 0.891 204 L HN 0.763 nan 8.230 nan 0.000 0.431 205 M N -0.536 118.827 119.600 -0.394 0.000 2.065 205 M HA -0.234 4.244 4.480 -0.003 0.000 0.259 205 M C 2.313 178.467 176.300 -0.242 0.000 1.069 205 M CA 2.013 57.007 55.300 -0.510 0.000 1.110 205 M CB -0.573 31.872 32.600 -0.259 0.000 1.328 205 M HN 0.085 nan 8.290 nan 0.000 0.405 206 R N -0.883 119.539 120.500 -0.131 0.000 2.066 206 R HA -0.059 4.279 4.340 -0.003 0.000 0.232 206 R C 2.364 178.643 176.300 -0.035 0.000 1.131 206 R CA 1.714 57.785 56.100 -0.048 0.000 0.955 206 R CB -0.693 29.575 30.300 -0.054 0.000 0.851 206 R HN 0.335 nan 8.270 nan 0.000 0.432 207 S N 0.709 116.361 115.700 -0.080 0.000 2.374 207 S HA -0.162 4.306 4.470 -0.003 0.000 0.227 207 S C 1.844 176.444 174.600 -0.000 0.000 1.037 207 S CA 1.333 59.500 58.200 -0.056 0.000 1.024 207 S CB -0.213 62.930 63.200 -0.094 0.000 0.861 207 S HN 0.329 nan 8.310 nan 0.000 0.456 208 R N 0.322 120.804 120.500 -0.030 0.000 2.115 208 R HA -0.014 4.324 4.340 -0.003 0.000 0.230 208 R C 2.184 178.635 176.300 0.252 0.000 1.111 208 R CA 1.032 57.194 56.100 0.104 0.000 0.976 208 R CB -0.475 29.701 30.300 -0.207 0.000 0.870 208 R HN 0.271 nan 8.270 nan 0.000 0.445 209 V N 0.985 121.042 119.914 0.238 0.000 2.358 209 V HA -0.225 3.893 4.120 -0.003 0.000 0.246 209 V C 2.555 178.787 176.094 0.231 0.000 1.047 209 V CA 1.491 64.007 62.300 0.361 0.000 1.035 209 V CB -0.573 31.423 31.823 0.289 0.000 0.658 209 V HN 0.286 nan 8.190 nan 0.000 0.452 210 R N 0.678 121.257 120.500 0.131 0.000 2.080 210 R HA -0.166 4.172 4.340 -0.003 0.000 0.236 210 R C 2.382 178.730 176.300 0.080 0.000 1.137 210 R CA 2.116 58.265 56.100 0.083 0.000 0.943 210 R CB -1.132 29.189 30.300 0.036 0.000 0.846 210 R HN 0.524 nan 8.270 nan 0.000 0.431 211 G N 0.106 108.953 108.800 0.079 0.000 2.446 211 G HA2 -0.293 3.665 3.960 -0.003 0.000 0.217 211 G HA3 -0.293 3.665 3.960 -0.003 0.000 0.217 211 G C 1.602 176.512 174.900 0.016 0.000 1.168 211 G CA 1.262 46.386 45.100 0.041 0.000 0.771 211 G HN 0.519 nan 8.290 nan 0.000 0.551 212 A N 0.825 123.686 122.820 0.069 0.000 1.978 212 A HA -0.123 4.195 4.320 -0.003 0.000 0.220 212 A C 2.044 179.674 177.584 0.075 0.000 1.170 212 A CA 2.355 54.404 52.037 0.020 0.000 0.636 212 A CB -0.538 18.520 19.000 0.096 0.000 0.810 212 A HN 0.464 nan 8.150 nan 0.000 0.448 213 D N -0.549 119.923 120.400 0.120 0.000 2.123 213 D HA 0.074 4.712 4.640 -0.003 0.000 0.200 213 D C 1.887 178.219 176.300 0.054 0.000 0.976 213 D CA 1.335 55.399 54.000 0.106 0.000 0.831 213 D CB -0.206 40.661 40.800 0.112 0.000 0.974 213 D HN 0.310 nan 8.370 nan 0.000 0.469 214 A N 0.123 122.962 122.820 0.032 0.000 2.119 214 A HA 0.370 4.688 4.320 -0.003 0.000 0.217 214 A C 1.361 178.936 177.584 -0.015 0.000 1.153 214 A CA 0.761 52.804 52.037 0.010 0.000 0.692 214 A CB -0.728 18.276 19.000 0.006 0.000 0.799 214 A HN 0.358 nan 8.150 nan 0.000 0.458 215 A N -0.620 122.180 122.820 -0.034 0.000 2.445 215 A HA 0.390 4.708 4.320 -0.003 0.000 0.242 215 A C 0.698 178.245 177.584 -0.061 0.000 1.075 215 A CA 0.125 52.118 52.037 -0.073 0.000 0.777 215 A CB 0.175 19.100 19.000 -0.124 0.000 1.013 215 A HN 0.533 nan 8.150 nan 0.000 0.493 216 Q N 0.550 120.307 119.800 -0.071 0.000 2.280 216 Q HA 0.269 4.607 4.340 -0.003 0.000 0.228 216 Q C 0.796 176.743 176.000 -0.089 0.000 0.857 216 Q CA 0.320 56.084 55.803 -0.064 0.000 0.939 216 Q CB 0.569 29.281 28.738 -0.043 0.000 1.114 216 Q HN 0.887 nan 8.270 nan 0.000 0.514 217 A N 0.945 123.700 122.820 -0.109 0.000 2.280 217 A HA 0.153 4.471 4.320 -0.003 0.000 0.268 217 A C 0.843 178.333 177.584 -0.158 0.000 1.111 217 A CA -0.176 51.788 52.037 -0.122 0.000 0.814 217 A CB 0.482 19.404 19.000 -0.129 0.000 1.093 217 A HN -0.052 nan 8.150 nan 0.000 0.498 218 K N -0.627 119.677 120.400 -0.159 0.000 2.262 218 K HA 0.144 4.462 4.320 -0.003 0.000 0.200 218 K C 0.026 176.525 176.600 -0.168 0.000 1.049 218 K CA 0.699 56.863 56.287 -0.205 0.000 0.979 218 K CB -0.025 32.378 32.500 -0.162 0.000 0.773 218 K HN 0.432 nan 8.250 nan 0.000 0.474 219 V N 2.311 122.141 119.914 -0.139 0.000 2.581 219 V HA 0.355 4.473 4.120 -0.003 0.000 0.303 219 V C -0.025 175.966 176.094 -0.172 0.000 1.041 219 V CA -0.857 61.372 62.300 -0.119 0.000 0.907 219 V CB 2.058 33.820 31.823 -0.102 0.000 0.994 219 V HN -0.004 nan 8.190 nan 0.000 0.442 220 L N 3.055 124.164 121.223 -0.190 0.000 2.331 220 L HA 0.695 5.033 4.340 -0.003 0.000 0.275 220 L C -0.124 176.509 176.870 -0.395 0.000 1.022 220 L CA -0.247 54.365 54.840 -0.379 0.000 0.812 220 L CB 2.090 43.825 42.059 -0.539 0.000 1.257 220 L HN 0.605 nan 8.230 nan 0.000 0.435 221 T N 2.126 116.367 114.554 -0.521 0.000 2.930 221 T HA 0.471 4.819 4.350 -0.003 0.000 0.313 221 T C -0.668 173.729 174.700 -0.506 0.000 1.019 221 T CA -0.347 61.536 62.100 -0.361 0.000 1.004 221 T CB 0.330 69.119 68.868 -0.132 0.000 0.987 221 T HN 0.093 nan 8.240 nan 0.000 0.456 222 F N 3.276 122.975 119.950 -0.418 0.000 2.408 222 F HA 0.661 5.186 4.527 -0.003 0.000 0.344 222 F C 0.257 175.875 175.800 -0.303 0.000 1.112 222 F CA -0.866 56.880 58.000 -0.423 0.000 1.096 222 F CB 0.914 39.504 39.000 -0.683 0.000 1.129 222 F HN 0.198 nan 8.300 nan 0.000 0.486 223 L N 2.705 123.901 121.223 -0.045 0.000 2.424 223 L HA 0.439 4.777 4.340 -0.003 0.000 0.258 223 L C -0.968 175.832 176.870 -0.118 0.000 0.995 223 L CA -1.202 53.573 54.840 -0.107 0.000 0.821 223 L CB 2.242 44.198 42.059 -0.172 0.000 1.383 223 L HN 0.428 nan 8.230 nan 0.000 0.410 224 D N -0.206 120.077 120.400 -0.195 0.000 2.354 224 D HA 0.113 4.751 4.640 -0.003 0.000 0.247 224 D C 0.871 176.950 176.300 -0.368 0.000 1.138 224 D CA -0.112 53.702 54.000 -0.311 0.000 0.958 224 D CB 1.375 41.828 40.800 -0.579 0.000 1.144 224 D HN 0.564 nan 8.370 nan 0.000 0.458 225 S N -0.069 115.449 115.700 -0.304 0.000 2.660 225 S HA -0.108 4.360 4.470 -0.003 0.000 0.228 225 S C 0.734 175.237 174.600 -0.162 0.000 0.966 225 S CA 0.227 58.322 58.200 -0.174 0.000 0.940 225 S CB -0.576 62.614 63.200 -0.017 0.000 0.773 225 S HN 0.579 nan 8.310 nan 0.000 0.535 226 H N -1.375 117.622 119.070 -0.121 0.000 2.716 226 H HA 0.562 5.116 4.556 -0.003 0.000 0.230 226 H C -0.809 174.342 175.328 -0.295 0.000 1.401 226 H CA -0.838 55.089 56.048 -0.200 0.000 1.168 226 H CB -1.144 28.480 29.762 -0.231 0.000 1.935 226 H HN 0.215 nan 8.280 nan 0.000 0.538 227 C N 0.459 119.596 119.300 -0.271 0.000 2.822 227 C HA 0.586 5.044 4.460 -0.003 0.000 0.341 227 C C -0.139 174.719 174.990 -0.222 0.000 1.301 227 C CA -0.562 58.304 59.018 -0.254 0.000 1.706 227 C CB 2.346 29.922 27.740 -0.274 0.000 2.178 227 C HN 0.657 nan 8.230 nan 0.000 0.481 228 E N 0.218 120.300 120.200 -0.196 0.000 2.317 228 E HA 0.273 4.621 4.350 -0.003 0.000 0.270 228 E C -1.427 175.038 176.600 -0.226 0.000 0.899 228 E CA -0.257 56.037 56.400 -0.177 0.000 0.814 228 E CB 1.384 31.071 29.700 -0.023 0.000 1.296 228 E HN 0.652 nan 8.360 nan 0.000 0.404 229 C N 2.680 121.701 119.300 -0.465 0.000 2.601 229 C HA 0.303 4.761 4.460 -0.003 0.000 0.409 229 C C 1.010 175.791 174.990 -0.350 0.000 1.293 229 C CA -0.545 58.053 59.018 -0.700 0.000 2.101 229 C CB -0.244 26.570 27.740 -1.544 0.000 2.639 229 C HN 0.694 nan 8.230 nan 0.000 0.592 230 N N 0.594 119.198 118.700 -0.161 0.000 2.643 230 N HA 0.191 4.929 4.740 -0.003 0.000 0.305 230 N C -0.241 175.325 175.510 0.094 0.000 1.283 230 N CA -0.470 52.558 53.050 -0.036 0.000 0.946 230 N CB 0.546 39.057 38.487 0.040 0.000 1.149 230 N HN 0.625 nan 8.380 nan 0.000 0.600 231 E N 1.157 121.400 120.200 0.072 0.000 2.465 231 E HA -0.084 4.265 4.350 -0.003 0.000 0.260 231 E C -0.352 176.341 176.600 0.154 0.000 0.980 231 E CA 0.596 57.041 56.400 0.074 0.000 0.927 231 E CB -0.186 29.599 29.700 0.142 0.000 0.934 231 E HN 0.454 nan 8.360 nan 0.000 0.459 232 H N 1.675 120.801 119.070 0.093 0.000 2.445 232 H HA -0.205 4.349 4.556 -0.003 0.000 0.322 232 H C 1.144 176.355 175.328 -0.195 0.000 1.053 232 H CA 1.118 57.101 56.048 -0.109 0.000 1.109 232 H CB -1.158 28.583 29.762 -0.036 0.000 1.546 232 H HN 0.729 nan 8.280 nan 0.000 0.397 233 W N -0.055 121.169 121.300 -0.128 0.000 2.453 233 W HA -0.053 4.605 4.660 -0.003 0.000 0.289 233 W C 1.613 178.030 176.519 -0.171 0.000 1.215 233 W CA 0.433 57.710 57.345 -0.114 0.000 1.297 233 W CB -1.093 28.319 29.460 -0.080 0.000 1.113 233 W HN 0.271 nan 8.180 nan 0.000 0.551 234 L N 1.986 122.333 121.223 -1.460 0.000 2.068 234 L HA -0.051 4.287 4.340 -0.003 0.000 0.204 234 L C 2.453 178.855 176.870 -0.780 0.000 1.076 234 L CA 2.308 56.299 54.840 -1.414 0.000 0.753 234 L CB -0.951 40.019 42.059 -1.816 0.000 0.910 234 L HN -0.198 nan 8.230 nan 0.000 0.439 235 E N 0.170 119.905 120.200 -0.774 0.000 2.070 235 E HA -0.221 4.127 4.350 -0.003 0.000 0.197 235 E C -0.466 175.773 176.600 -0.602 0.000 1.004 235 E CA 2.211 58.194 56.400 -0.695 0.000 0.805 235 E CB -1.774 27.314 29.700 -1.019 0.000 0.744 235 E HN 0.436 nan 8.360 nan 0.000 0.451 236 P HA -0.171 nan 4.420 nan 0.000 0.217 236 P C 0.975 178.185 177.300 -0.149 0.000 1.148 236 P CA 1.196 64.072 63.100 -0.374 0.000 0.828 236 P CB 0.026 31.549 31.700 -0.294 0.000 0.783 237 L N -2.008 119.103 121.223 -0.186 0.000 2.095 237 L HA -0.066 4.272 4.340 -0.003 0.000 0.204 237 L C 2.423 179.240 176.870 -0.089 0.000 1.080 237 L CA 1.014 55.803 54.840 -0.087 0.000 0.759 237 L CB -0.940 41.077 42.059 -0.070 0.000 0.914 237 L HN -0.069 nan 8.230 nan 0.000 0.439 238 L N -0.225 120.901 121.223 -0.162 0.000 2.141 238 L HA -0.176 4.162 4.340 -0.003 0.000 0.209 238 L C 2.552 179.386 176.870 -0.059 0.000 1.094 238 L CA 1.058 55.824 54.840 -0.124 0.000 0.763 238 L CB -0.461 41.489 42.059 -0.181 0.000 0.908 238 L HN 0.326 nan 8.230 nan 0.000 0.437 239 E N 0.187 120.363 120.200 -0.040 0.000 2.058 239 E HA -0.240 4.108 4.350 -0.003 0.000 0.194 239 E C 2.403 179.022 176.600 0.032 0.000 0.997 239 E CA 1.154 57.574 56.400 0.033 0.000 0.801 239 E CB 0.198 29.966 29.700 0.113 0.000 0.746 239 E HN 0.275 nan 8.360 nan 0.000 0.450 240 R N 0.110 120.626 120.500 0.027 0.000 2.070 240 R HA -0.139 4.199 4.340 -0.003 0.000 0.233 240 R C 2.651 178.960 176.300 0.016 0.000 1.137 240 R CA 1.592 57.710 56.100 0.031 0.000 0.945 240 R CB -1.533 28.791 30.300 0.040 0.000 0.845 240 R HN 0.368 nan 8.270 nan 0.000 0.430 241 V N -0.821 119.097 119.914 0.008 0.000 2.343 241 V HA -0.074 4.044 4.120 -0.003 0.000 0.247 241 V C 2.428 178.517 176.094 -0.008 0.000 1.051 241 V CA 1.782 64.084 62.300 0.002 0.000 1.036 241 V CB -1.310 30.518 31.823 0.010 0.000 0.654 241 V HN 0.206 nan 8.190 nan 0.000 0.451 242 A N 0.172 122.988 122.820 -0.008 0.000 1.917 242 A HA -0.262 4.056 4.320 -0.003 0.000 0.219 242 A C 2.228 179.811 177.584 -0.001 0.000 1.182 242 A CA 2.208 54.241 52.037 -0.005 0.000 0.633 242 A CB -0.739 18.261 19.000 -0.000 0.000 0.819 242 A HN 0.686 nan 8.150 nan 0.000 0.448 243 E N -1.179 119.024 120.200 0.005 0.000 2.110 243 E HA -0.135 4.213 4.350 -0.003 0.000 0.193 243 E C -0.219 176.376 176.600 -0.009 0.000 0.988 243 E CA 1.115 57.519 56.400 0.006 0.000 0.804 243 E CB 0.113 29.823 29.700 0.017 0.000 0.745 243 E HN 0.514 nan 8.360 nan 0.000 0.458 244 D N -1.079 119.308 120.400 -0.022 0.000 2.319 244 D HA 0.018 4.656 4.640 -0.003 0.000 0.237 244 D C 0.723 176.967 176.300 -0.093 0.000 1.353 244 D CA -0.166 53.802 54.000 -0.053 0.000 0.992 244 D CB 0.543 41.317 40.800 -0.043 0.000 1.368 244 D HN 0.038 nan 8.370 nan 0.000 0.564 245 R N 0.978 121.409 120.500 -0.115 0.000 2.204 245 R HA -0.209 4.129 4.340 -0.003 0.000 0.253 245 R C 1.107 177.193 176.300 -0.356 0.000 1.172 245 R CA 2.215 58.219 56.100 -0.160 0.000 0.994 245 R CB -1.141 29.070 30.300 -0.148 0.000 0.874 245 R HN 0.306 nan 8.270 nan 0.000 0.462 246 T N -1.888 112.377 114.554 -0.481 0.000 3.148 246 T HA 0.126 4.475 4.350 -0.003 0.000 0.253 246 T C 0.582 175.186 174.700 -0.160 0.000 1.134 246 T CA -0.276 61.427 62.100 -0.662 0.000 1.051 246 T CB -0.052 68.521 68.868 -0.491 0.000 0.959 246 T HN 0.244 nan 8.240 nan 0.000 0.525 247 R N 1.158 121.605 120.500 -0.088 0.000 2.221 247 R HA 0.509 4.847 4.340 -0.003 0.000 0.327 247 R C -1.070 175.249 176.300 0.031 0.000 1.033 247 R CA -0.535 55.543 56.100 -0.036 0.000 0.887 247 R CB 1.537 31.826 30.300 -0.019 0.000 1.057 247 R HN 0.120 nan 8.270 nan 0.000 0.455 248 V N 5.264 125.174 119.914 -0.006 0.000 2.288 248 V HA 0.142 4.260 4.120 -0.003 0.000 0.266 248 V C 0.328 176.448 176.094 0.044 0.000 1.048 248 V CA -0.738 61.578 62.300 0.026 0.000 0.842 248 V CB 0.874 32.617 31.823 -0.133 0.000 1.064 248 V HN 0.531 nan 8.190 nan 0.000 0.472 249 V N 2.706 122.697 119.914 0.128 0.000 2.539 249 V HA 0.874 4.992 4.120 -0.003 0.000 0.292 249 V C 0.077 176.300 176.094 0.215 0.000 1.045 249 V CA -0.061 62.323 62.300 0.140 0.000 0.945 249 V CB 1.686 33.574 31.823 0.108 0.000 0.993 249 V HN 0.680 nan 8.190 nan 0.000 0.464 250 S N 5.178 120.999 115.700 0.201 0.000 2.570 250 S HA 0.736 5.204 4.470 -0.003 0.000 0.286 250 S C -2.861 171.862 174.600 0.205 0.000 1.099 250 S CA -1.149 57.192 58.200 0.236 0.000 0.913 250 S CB 2.212 65.559 63.200 0.245 0.000 1.085 250 S HN 0.899 nan 8.310 nan 0.000 0.480 251 P HA 0.402 nan 4.420 nan 0.000 0.280 251 P C -0.788 176.636 177.300 0.207 0.000 1.272 251 P CA -0.678 62.541 63.100 0.198 0.000 0.819 251 P CB 0.559 32.385 31.700 0.209 0.000 1.122 252 I N 1.817 122.507 120.570 0.201 0.000 2.533 252 I HA 0.083 4.251 4.170 -0.003 0.000 0.284 252 I C 0.940 177.186 176.117 0.215 0.000 1.109 252 I CA -0.043 61.390 61.300 0.221 0.000 1.412 252 I CB -0.367 37.740 38.000 0.179 0.000 1.396 252 I HN 0.214 nan 8.210 nan 0.000 0.543 253 I N 6.216 126.954 120.570 0.281 0.000 2.291 253 I HA 0.112 4.280 4.170 -0.003 0.000 0.292 253 I C 0.354 176.577 176.117 0.176 0.000 1.064 253 I CA -0.565 60.842 61.300 0.178 0.000 1.269 253 I CB 0.282 38.318 38.000 0.060 0.000 1.418 253 I HN 0.416 nan 8.210 nan 0.000 0.485 254 D N 5.313 125.745 120.400 0.054 0.000 2.371 254 D HA 0.237 4.875 4.640 -0.003 0.000 0.242 254 D C -0.059 176.196 176.300 -0.075 0.000 1.218 254 D CA -0.060 53.894 54.000 -0.075 0.000 0.945 254 D CB 1.477 42.080 40.800 -0.328 0.000 1.137 254 D HN 0.073 nan 8.370 nan 0.000 0.464 255 V N 1.365 121.196 119.914 -0.137 0.000 2.483 255 V HA 0.377 4.495 4.120 -0.003 0.000 0.295 255 V C 0.315 176.263 176.094 -0.244 0.000 1.035 255 V CA -0.692 61.602 62.300 -0.011 0.000 0.896 255 V CB 1.419 33.268 31.823 0.043 0.000 0.986 255 V HN 0.305 nan 8.190 nan 0.000 0.447 256 I N 4.018 124.448 120.570 -0.233 0.000 2.354 256 I HA 0.296 4.464 4.170 -0.003 0.000 0.286 256 I C 0.334 176.209 176.117 -0.403 0.000 1.007 256 I CA -0.426 60.669 61.300 -0.340 0.000 1.167 256 I CB 1.245 39.007 38.000 -0.397 0.000 1.320 256 I HN 0.592 nan 8.210 nan 0.000 0.458 257 N N 7.373 125.877 118.700 -0.327 0.000 2.411 257 N HA -0.016 4.722 4.740 -0.003 0.000 0.261 257 N C 0.983 176.131 175.510 -0.604 0.000 1.248 257 N CA 0.252 53.125 53.050 -0.295 0.000 0.885 257 N CB 0.885 39.289 38.487 -0.139 0.000 1.062 257 N HN 0.700 nan 8.380 nan 0.000 0.471 258 M N 1.474 120.831 119.600 -0.405 0.000 2.619 258 M HA 0.021 4.499 4.480 -0.003 0.000 0.251 258 M C -0.509 175.794 176.300 0.006 0.000 1.106 258 M CA 1.188 56.238 55.300 -0.418 0.000 1.086 258 M CB 0.193 32.765 32.600 -0.047 0.000 1.465 258 M HN 0.264 nan 8.290 nan 0.000 0.506 259 D N 1.362 121.803 120.400 0.068 0.000 2.422 259 D HA 0.051 4.690 4.640 -0.003 0.000 0.218 259 D C 0.657 177.119 176.300 0.270 0.000 1.047 259 D CA 0.798 54.961 54.000 0.272 0.000 0.885 259 D CB 0.235 41.155 40.800 0.199 0.000 1.035 259 D HN 0.720 nan 8.370 nan 0.000 0.502 260 N N -1.056 117.760 118.700 0.193 0.000 2.082 260 N HA -0.003 4.735 4.740 -0.003 0.000 0.228 260 N C -0.010 175.672 175.510 0.287 0.000 1.341 260 N CA -0.283 52.901 53.050 0.224 0.000 0.873 260 N CB -0.342 38.218 38.487 0.121 0.000 1.137 260 N HN -0.231 nan 8.380 nan 0.000 0.505 261 F N 0.438 120.373 119.950 -0.025 0.000 3.097 261 F HA -0.275 4.250 4.527 -0.003 0.000 0.278 261 F C 0.653 176.450 175.800 -0.005 0.000 0.917 261 F CA 0.629 58.597 58.000 -0.053 0.000 0.962 261 F CB -1.939 37.012 39.000 -0.081 0.000 0.964 261 F HN 0.377 nan 8.300 nan 0.000 0.668 262 Q N 0.265 120.103 119.800 0.065 0.000 2.364 262 Q HA 0.063 4.401 4.340 -0.003 0.000 0.267 262 Q C -0.460 175.590 176.000 0.083 0.000 0.999 262 Q CA -0.269 55.584 55.803 0.084 0.000 0.886 262 Q CB 0.660 29.430 28.738 0.054 0.000 1.243 262 Q HN 0.339 nan 8.270 nan 0.000 0.415 263 Y N 4.207 124.505 120.300 -0.003 0.000 2.404 263 Y HA 0.338 4.886 4.550 -0.003 0.000 0.344 263 Y C -1.096 174.805 175.900 0.003 0.000 0.970 263 Y CA -0.413 57.680 58.100 -0.012 0.000 1.180 263 Y CB 0.566 39.020 38.460 -0.011 0.000 1.138 263 Y HN 0.307 nan 8.280 nan 0.000 0.510 264 V N 5.276 125.129 119.914 -0.102 0.000 2.732 264 V HA 0.659 4.777 4.120 -0.003 0.000 0.310 264 V C 0.455 176.501 176.094 -0.079 0.000 1.053 264 V CA -0.656 61.631 62.300 -0.022 0.000 0.957 264 V CB 1.807 33.611 31.823 -0.032 0.000 1.018 264 V HN 0.936 nan 8.190 nan 0.000 0.452 265 G N 1.497 110.320 108.800 0.039 0.000 2.348 265 G HA2 0.629 4.587 3.960 -0.003 0.000 0.312 265 G HA3 0.629 4.587 3.960 -0.003 0.000 0.312 265 G C -0.144 174.768 174.900 0.020 0.000 1.126 265 G CA 0.060 45.194 45.100 0.056 0.000 0.865 265 G HN 1.079 nan 8.290 nan 0.000 0.474 266 A N 1.899 124.736 122.820 0.027 0.000 2.257 266 A HA 0.751 5.069 4.320 -0.003 0.000 0.289 266 A C 0.939 178.499 177.584 -0.040 0.000 1.095 266 A CA -0.151 51.880 52.037 -0.010 0.000 0.836 266 A CB 0.892 19.938 19.000 0.076 0.000 1.111 266 A HN 1.078 nan 8.150 nan 0.000 0.497 267 S N -1.002 114.610 115.700 -0.147 0.000 2.600 267 S HA 0.434 4.902 4.470 -0.003 0.000 0.265 267 S C 0.728 175.283 174.600 -0.074 0.000 1.325 267 S CA 0.189 58.315 58.200 -0.125 0.000 1.002 267 S CB 0.862 63.931 63.200 -0.218 0.000 0.921 267 S HN 1.659 nan 8.310 nan 0.000 0.554 268 A N 1.666 124.474 122.820 -0.020 0.000 2.571 268 A HA 0.355 4.673 4.320 -0.003 0.000 0.274 268 A C 0.132 177.728 177.584 0.021 0.000 1.196 268 A CA -0.310 51.741 52.037 0.024 0.000 0.957 268 A CB 0.210 19.241 19.000 0.050 0.000 1.150 268 A HN 0.712 nan 8.150 nan 0.000 0.539 269 D N 0.193 120.589 120.400 -0.006 0.000 2.593 269 D HA 0.347 4.985 4.640 -0.003 0.000 0.241 269 D C -0.377 175.937 176.300 0.023 0.000 1.257 269 D CA 0.358 54.374 54.000 0.028 0.000 0.828 269 D CB 0.591 41.420 40.800 0.049 0.000 1.049 269 D HN 0.336 nan 8.370 nan 0.000 0.490 270 L N 0.175 121.385 121.223 -0.022 0.000 2.401 270 L HA 0.465 4.803 4.340 -0.003 0.000 0.266 270 L C 0.059 177.074 176.870 0.242 0.000 0.991 270 L CA -0.811 54.032 54.840 0.005 0.000 0.818 270 L CB 2.628 44.504 42.059 -0.305 0.000 1.321 270 L HN -0.396 nan 8.230 nan 0.000 0.413 271 K N 0.441 121.010 120.400 0.282 0.000 2.238 271 K HA 0.646 4.964 4.320 -0.003 0.000 0.239 271 K C -0.098 176.596 176.600 0.158 0.000 0.987 271 K CA -0.828 55.605 56.287 0.244 0.000 0.857 271 K CB 1.894 34.437 32.500 0.071 0.000 1.154 271 K HN 0.703 nan 8.250 nan 0.000 0.439 272 G N -0.280 108.532 108.800 0.019 0.000 2.415 272 G HA2 0.531 4.489 3.960 -0.003 0.000 0.269 272 G HA3 0.531 4.489 3.960 -0.003 0.000 0.269 272 G C -0.370 174.293 174.900 -0.394 0.000 1.209 272 G CA -0.226 44.729 45.100 -0.243 0.000 0.835 272 G HN 0.605 nan 8.290 nan 0.000 0.534 273 G N -0.211 108.201 108.800 -0.647 0.000 2.782 273 G HA2 0.868 4.826 3.960 -0.003 0.000 0.304 273 G HA3 0.868 4.826 3.960 -0.003 0.000 0.304 273 G C -1.256 173.486 174.900 -0.264 0.000 1.315 273 G CA -0.577 44.175 45.100 -0.580 0.000 0.791 273 G HN 1.302 nan 8.290 nan 0.000 0.519 274 F N -2.125 117.748 119.950 -0.129 0.000 2.807 274 F HA 0.727 5.252 4.527 -0.004 0.000 0.316 274 F C -1.617 174.174 175.800 -0.015 0.000 1.162 274 F CA -1.286 56.669 58.000 -0.075 0.000 0.910 274 F CB 1.063 40.052 39.000 -0.017 0.000 1.314 274 F HN 0.413 nan 8.300 nan 0.000 0.454 275 D N -0.265 120.230 120.400 0.157 0.000 2.506 275 D HA 0.191 4.830 4.640 -0.003 0.000 0.254 275 D C -0.002 176.392 176.300 0.157 0.000 1.089 275 D CA -0.311 53.694 54.000 0.008 0.000 1.050 275 D CB 1.367 42.220 40.800 0.089 0.000 1.221 275 D HN 0.809 nan 8.370 nan 0.000 0.589 276 W N 0.519 122.013 121.300 0.323 0.000 2.538 276 W HA -0.118 4.540 4.660 -0.002 0.000 0.254 276 W C 1.505 178.277 176.519 0.420 0.000 1.249 276 W CA 0.339 57.915 57.345 0.386 0.000 1.253 276 W CB -0.243 29.398 29.460 0.303 0.000 1.130 276 W HN 0.423 nan 8.180 nan 0.000 0.618 277 N N 0.568 119.577 118.700 0.516 0.000 2.383 277 N HA 0.010 4.748 4.740 -0.003 0.000 0.192 277 N C 0.302 176.079 175.510 0.445 0.000 1.141 277 N CA 0.333 53.669 53.050 0.477 0.000 0.851 277 N CB -0.718 37.952 38.487 0.306 0.000 0.976 277 N HN 0.091 nan 8.380 nan 0.000 0.465 278 L N -0.985 120.459 121.223 0.369 0.000 3.677 278 L HA -0.175 4.163 4.340 -0.003 0.000 0.464 278 L C -1.134 175.805 176.870 0.115 0.000 1.278 278 L CA -0.054 54.878 54.840 0.153 0.000 0.806 278 L CB -1.979 39.998 42.059 -0.137 0.000 1.610 278 L HN 0.084 nan 8.230 nan 0.000 0.867 279 V N 0.675 120.699 119.914 0.184 0.000 2.487 279 V HA 0.372 4.490 4.120 -0.003 0.000 0.298 279 V C 0.295 176.482 176.094 0.155 0.000 1.028 279 V CA -0.638 61.754 62.300 0.153 0.000 0.860 279 V CB 1.824 33.730 31.823 0.138 0.000 0.991 279 V HN 0.245 nan 8.190 nan 0.000 0.427 280 F N 5.408 125.357 119.950 -0.001 0.000 2.623 280 F HA 0.186 4.711 4.527 -0.003 0.000 0.381 280 F C 0.337 176.062 175.800 -0.124 0.000 1.081 280 F CA 0.779 58.734 58.000 -0.075 0.000 1.293 280 F CB 0.154 39.073 39.000 -0.134 0.000 1.006 280 F HN 0.557 nan 8.300 nan 0.000 0.578 281 K N 6.015 125.730 120.400 -1.141 0.000 2.502 281 K HA 0.312 4.630 4.320 -0.003 0.000 0.257 281 K C -1.792 174.103 176.600 -1.176 0.000 0.938 281 K CA -0.778 55.014 56.287 -0.826 0.000 0.819 281 K CB 1.021 33.310 32.500 -0.352 0.000 1.333 281 K HN 0.704 nan 8.250 nan 0.000 0.434 282 W N 2.057 123.027 121.300 -0.550 0.000 2.381 282 W HA 0.297 4.955 4.660 -0.003 0.000 0.329 282 W C -0.157 176.142 176.519 -0.365 0.000 1.157 282 W CA -0.106 56.974 57.345 -0.442 0.000 1.240 282 W CB 1.230 30.499 29.460 -0.319 0.000 1.199 282 W HN 0.468 nan 8.180 nan 0.000 0.579 283 D N 0.576 120.985 120.400 0.016 0.000 2.601 283 D HA 0.262 4.900 4.640 -0.003 0.000 0.230 283 D C -1.180 175.061 176.300 -0.098 0.000 1.106 283 D CA -0.807 53.151 54.000 -0.070 0.000 0.873 283 D CB 1.385 42.170 40.800 -0.024 0.000 1.515 283 D HN 0.170 nan 8.370 nan 0.000 0.468 284 Y N 0.461 120.782 120.300 0.034 0.000 2.301 284 Y HA 0.239 4.787 4.550 -0.003 0.000 0.328 284 Y C 1.329 177.235 175.900 0.010 0.000 1.242 284 Y CA -0.565 57.542 58.100 0.013 0.000 1.323 284 Y CB 0.792 39.248 38.460 -0.005 0.000 1.266 284 Y HN 0.081 nan 8.280 nan 0.000 0.527 285 M N 1.071 120.783 119.600 0.187 0.000 2.232 285 M HA 0.049 4.527 4.480 -0.003 0.000 0.321 285 M C 0.372 176.713 176.300 0.069 0.000 1.101 285 M CA 0.310 55.669 55.300 0.098 0.000 1.181 285 M CB 0.265 32.910 32.600 0.075 0.000 1.432 285 M HN 0.636 nan 8.290 nan 0.000 0.457 286 T N 2.010 116.583 114.554 0.031 0.000 2.860 286 T HA 0.083 4.431 4.350 -0.003 0.000 0.299 286 T C -1.649 173.048 174.700 -0.004 0.000 1.045 286 T CA -1.133 60.968 62.100 0.002 0.000 1.071 286 T CB 0.835 69.691 68.868 -0.020 0.000 0.985 286 T HN 0.449 nan 8.240 nan 0.000 0.537 287 P HA -0.095 nan 4.420 nan 0.000 0.215 287 P C 1.329 178.618 177.300 -0.018 0.000 1.157 287 P CA 1.200 64.286 63.100 -0.023 0.000 0.874 287 P CB 0.191 31.871 31.700 -0.034 0.000 0.790 288 E N -0.297 119.891 120.200 -0.021 0.000 2.033 288 E HA -0.257 4.091 4.350 -0.003 0.000 0.199 288 E C 2.209 178.806 176.600 -0.005 0.000 1.011 288 E CA 1.268 57.659 56.400 -0.015 0.000 0.815 288 E CB -0.546 29.142 29.700 -0.020 0.000 0.755 288 E HN 0.396 nan 8.360 nan 0.000 0.451 289 Q N 0.343 120.144 119.800 0.001 0.000 2.112 289 Q HA -0.216 4.122 4.340 -0.003 0.000 0.206 289 Q C 2.237 178.243 176.000 0.011 0.000 0.987 289 Q CA 1.358 57.169 55.803 0.013 0.000 0.858 289 Q CB -0.275 28.477 28.738 0.022 0.000 0.905 289 Q HN 0.253 nan 8.270 nan 0.000 0.420 290 R N 0.438 120.941 120.500 0.006 0.000 2.081 290 R HA -0.090 4.248 4.340 -0.003 0.000 0.235 290 R C 2.319 178.617 176.300 -0.004 0.000 1.131 290 R CA 1.100 57.201 56.100 0.001 0.000 0.960 290 R CB -0.268 30.029 30.300 -0.006 0.000 0.856 290 R HN 0.208 nan 8.270 nan 0.000 0.436 291 R N 0.710 121.207 120.500 -0.005 0.000 2.073 291 R HA -0.104 4.234 4.340 -0.003 0.000 0.234 291 R C 2.622 178.921 176.300 -0.002 0.000 1.134 291 R CA 1.961 58.057 56.100 -0.006 0.000 0.952 291 R CB -0.290 30.005 30.300 -0.007 0.000 0.850 291 R HN 0.293 nan 8.270 nan 0.000 0.433 292 S N 0.406 116.107 115.700 0.002 0.000 2.419 292 S HA -0.097 4.371 4.470 -0.003 0.000 0.235 292 S C 1.843 176.444 174.600 0.002 0.000 1.019 292 S CA 0.795 58.998 58.200 0.006 0.000 0.982 292 S CB -0.127 63.080 63.200 0.013 0.000 0.789 292 S HN 0.175 nan 8.310 nan 0.000 0.490 293 R N 1.159 121.658 120.500 -0.002 0.000 2.200 293 R HA 0.191 4.529 4.340 -0.003 0.000 0.208 293 R C 2.405 178.695 176.300 -0.017 0.000 1.033 293 R CA 0.844 56.937 56.100 -0.013 0.000 1.000 293 R CB -0.569 29.724 30.300 -0.012 0.000 0.906 293 R HN 0.666 nan 8.270 nan 0.000 0.462 294 Q N -0.912 118.883 119.800 -0.009 0.000 2.119 294 Q HA -0.053 4.285 4.340 -0.003 0.000 0.201 294 Q C 1.971 177.969 176.000 -0.004 0.000 0.972 294 Q CA 1.493 57.293 55.803 -0.006 0.000 0.847 294 Q CB -0.136 28.599 28.738 -0.005 0.000 0.903 294 Q HN 0.367 nan 8.270 nan 0.000 0.433 295 G N 1.152 109.950 108.800 -0.003 0.000 2.454 295 G HA2 -0.179 3.779 3.960 -0.003 0.000 0.214 295 G HA3 -0.179 3.779 3.960 -0.003 0.000 0.214 295 G C 0.430 175.329 174.900 -0.002 0.000 1.217 295 G CA 0.032 45.131 45.100 -0.000 0.000 0.799 295 G HN 0.284 nan 8.290 nan 0.000 0.538 296 N N 0.923 119.620 118.700 -0.005 0.000 2.476 296 N HA 0.276 5.015 4.740 -0.003 0.000 0.257 296 N C -1.637 173.851 175.510 -0.036 0.000 0.970 296 N CA -1.935 51.109 53.050 -0.009 0.000 0.938 296 N CB 2.592 41.081 38.487 0.003 0.000 1.144 296 N HN -0.060 nan 8.380 nan 0.000 0.500 297 P HA -0.102 nan 4.420 nan 0.000 0.222 297 P C 0.865 178.026 177.300 -0.232 0.000 1.147 297 P CA 1.046 64.038 63.100 -0.180 0.000 0.790 297 P CB 0.166 31.709 31.700 -0.262 0.000 0.780 298 V N -4.564 115.272 119.914 -0.130 0.000 3.085 298 V HA 0.632 4.750 4.120 -0.003 0.000 0.345 298 V C 0.719 176.826 176.094 0.022 0.000 1.397 298 V CA -0.925 61.343 62.300 -0.053 0.000 1.165 298 V CB -0.738 31.097 31.823 0.021 0.000 1.153 298 V HN -0.005 nan 8.190 nan 0.000 0.495 299 A N 2.888 125.715 122.820 0.012 0.000 2.511 299 A HA 0.544 4.862 4.320 -0.003 0.000 0.242 299 A C -1.801 175.818 177.584 0.058 0.000 1.069 299 A CA -0.667 51.393 52.037 0.038 0.000 0.763 299 A CB -0.326 18.690 19.000 0.027 0.000 1.001 299 A HN 0.522 nan 8.150 nan 0.000 0.498 300 P HA 0.395 nan 4.420 nan 0.000 0.275 300 P C -0.580 176.774 177.300 0.090 0.000 1.228 300 P CA 0.112 63.266 63.100 0.091 0.000 0.786 300 P CB 0.750 32.508 31.700 0.096 0.000 0.927 301 I N -2.052 118.581 120.570 0.106 0.000 2.689 301 I HA 0.586 4.754 4.170 -0.003 0.000 0.299 301 I C -0.302 175.903 176.117 0.146 0.000 1.059 301 I CA -1.696 59.670 61.300 0.109 0.000 1.055 301 I CB 2.177 40.234 38.000 0.095 0.000 1.243 301 I HN -0.046 nan 8.210 nan 0.000 0.425 302 K N 2.116 122.612 120.400 0.161 0.000 2.258 302 K HA 0.442 4.760 4.320 -0.003 0.000 0.264 302 K C -0.242 176.490 176.600 0.219 0.000 1.007 302 K CA 0.122 56.565 56.287 0.260 0.000 0.941 302 K CB 0.883 33.560 32.500 0.295 0.000 0.966 302 K HN 0.756 nan 8.250 nan 0.000 0.480 303 T N 2.872 117.627 114.554 0.335 0.000 2.928 303 T HA 0.388 4.736 4.350 -0.003 0.000 0.296 303 T C -2.264 172.588 174.700 0.253 0.000 1.000 303 T CA -2.212 60.014 62.100 0.210 0.000 0.989 303 T CB 1.101 70.098 68.868 0.216 0.000 1.005 303 T HN 0.241 nan 8.240 nan 0.000 0.442 304 P HA 0.088 nan 4.420 nan 0.000 0.218 304 P C -0.052 177.365 177.300 0.195 0.000 1.149 304 P CA 0.593 63.577 63.100 -0.193 0.000 0.817 304 P CB 0.184 31.498 31.700 -0.645 0.000 0.785 305 M N -0.984 118.694 119.600 0.130 0.000 2.267 305 M HA 0.349 4.827 4.480 -0.003 0.000 0.289 305 M C -1.029 175.377 176.300 0.176 0.000 1.043 305 M CA -1.387 54.017 55.300 0.172 0.000 0.928 305 M CB 1.258 33.961 32.600 0.172 0.000 1.613 305 M HN -0.279 nan 8.290 nan 0.000 0.450 306 I N 4.038 124.680 120.570 0.120 0.000 2.752 306 I HA 0.185 4.353 4.170 -0.003 0.000 0.287 306 I C 0.719 176.897 176.117 0.102 0.000 1.188 306 I CA 0.522 61.878 61.300 0.094 0.000 1.427 306 I CB 1.234 39.225 38.000 -0.015 0.000 1.365 306 I HN 0.996 nan 8.210 nan 0.000 0.585 307 A N 5.471 128.353 122.820 0.103 0.000 2.169 307 A HA 0.456 4.774 4.320 -0.003 0.000 0.210 307 A C 0.754 178.283 177.584 -0.091 0.000 1.168 307 A CA 0.818 52.785 52.037 -0.116 0.000 0.813 307 A CB -0.117 18.965 19.000 0.138 0.000 0.861 307 A HN 0.853 nan 8.150 nan 0.000 0.481 308 G N -2.517 106.302 108.800 0.031 0.000 2.815 308 G HA2 0.434 4.392 3.960 -0.003 0.000 0.305 308 G HA3 0.434 4.392 3.960 -0.003 0.000 0.305 308 G C 0.282 175.218 174.900 0.060 0.000 1.277 308 G CA 0.233 45.328 45.100 -0.010 0.000 0.795 308 G HN 0.543 nan 8.290 nan 0.000 0.528 309 G N -0.382 108.435 108.800 0.028 0.000 3.605 309 G HA2 0.441 4.399 3.960 -0.003 0.000 0.277 309 G HA3 0.441 4.399 3.960 -0.003 0.000 0.277 309 G C 0.162 175.149 174.900 0.145 0.000 1.093 309 G CA -0.161 45.020 45.100 0.135 0.000 0.821 309 G HN 0.347 nan 8.290 nan 0.000 0.532 310 L N 1.299 122.608 121.223 0.144 0.000 2.287 310 L HA 0.767 5.105 4.340 -0.003 0.000 0.287 310 L C -0.609 176.436 176.870 0.291 0.000 1.022 310 L CA -0.967 53.934 54.840 0.101 0.000 0.814 310 L CB 0.900 42.975 42.059 0.027 0.000 1.217 310 L HN 0.251 nan 8.230 nan 0.000 0.420 311 F N 1.464 121.506 119.950 0.153 0.000 2.769 311 F HA 0.665 5.190 4.527 -0.003 0.000 0.313 311 F C -1.703 174.198 175.800 0.169 0.000 1.146 311 F CA -1.101 56.990 58.000 0.152 0.000 0.934 311 F CB 0.953 40.030 39.000 0.128 0.000 1.283 311 F HN -0.004 nan 8.300 nan 0.000 0.443 312 V N 3.569 123.700 119.914 0.362 0.000 2.581 312 V HA 0.774 4.892 4.120 -0.003 0.000 0.303 312 V C -0.338 175.959 176.094 0.338 0.000 1.041 312 V CA -0.564 61.855 62.300 0.198 0.000 0.907 312 V CB 1.722 33.594 31.823 0.082 0.000 0.994 312 V HN 0.994 nan 8.190 nan 0.000 0.442 313 M N 2.789 122.539 119.600 0.250 0.000 2.534 313 M HA 0.404 4.882 4.480 -0.003 0.000 0.280 313 M C -1.515 174.900 176.300 0.191 0.000 1.217 313 M CA -0.565 54.915 55.300 0.300 0.000 0.893 313 M CB 2.223 35.134 32.600 0.519 0.000 1.730 313 M HN 0.756 nan 8.290 nan 0.000 0.483 314 D N 2.966 123.502 120.400 0.227 0.000 2.424 314 D HA 0.050 4.689 4.640 -0.003 0.000 0.244 314 D C 0.258 176.694 176.300 0.226 0.000 1.134 314 D CA 0.459 54.564 54.000 0.176 0.000 0.881 314 D CB 1.413 42.339 40.800 0.211 0.000 1.191 314 D HN 0.713 nan 8.370 nan 0.000 0.445 315 K N 3.118 123.568 120.400 0.084 0.000 2.025 315 K HA -0.159 4.159 4.320 -0.003 0.000 0.207 315 K C 1.852 178.629 176.600 0.295 0.000 1.049 315 K CA 1.071 57.426 56.287 0.113 0.000 0.933 315 K CB -0.060 32.381 32.500 -0.098 0.000 0.714 315 K HN 0.358 nan 8.250 nan 0.000 0.438 316 F N 0.328 120.391 119.950 0.189 0.000 2.102 316 F HA -0.171 4.354 4.527 -0.003 0.000 0.298 316 F C 2.320 178.255 175.800 0.225 0.000 1.105 316 F CA 0.874 58.979 58.000 0.175 0.000 1.239 316 F CB -1.187 37.891 39.000 0.131 0.000 0.991 316 F HN 0.140 nan 8.300 nan 0.000 0.474 317 Y N -0.938 119.541 120.300 0.299 0.000 2.207 317 Y HA -0.346 4.202 4.550 -0.003 0.000 0.287 317 Y C 2.588 178.596 175.900 0.179 0.000 1.156 317 Y CA 1.266 59.477 58.100 0.185 0.000 1.182 317 Y CB -0.404 38.139 38.460 0.137 0.000 0.979 317 Y HN 0.043 nan 8.280 nan 0.000 0.521 318 F N 1.146 121.159 119.950 0.105 0.000 2.134 318 F HA -0.196 4.330 4.527 -0.003 0.000 0.299 318 F C 1.992 177.795 175.800 0.004 0.000 1.097 318 F CA 2.146 60.161 58.000 0.026 0.000 1.264 318 F CB -0.407 38.700 39.000 0.177 0.000 1.001 318 F HN 0.068 nan 8.300 nan 0.000 0.479 319 E N -0.111 120.094 120.200 0.009 0.000 2.051 319 E HA -0.214 4.134 4.350 -0.003 0.000 0.189 319 E C 2.184 178.716 176.600 -0.113 0.000 0.979 319 E CA 1.020 57.367 56.400 -0.089 0.000 0.803 319 E CB -0.400 29.398 29.700 0.164 0.000 0.761 319 E HN 0.552 nan 8.360 nan 0.000 0.451 320 E N 1.002 121.192 120.200 -0.017 0.000 2.130 320 E HA -0.218 4.130 4.350 -0.003 0.000 0.196 320 E C 1.915 178.439 176.600 -0.127 0.000 0.998 320 E CA 0.852 57.233 56.400 -0.031 0.000 0.806 320 E CB 0.005 29.752 29.700 0.078 0.000 0.738 320 E HN 0.237 nan 8.360 nan 0.000 0.459 321 L N -0.869 120.183 121.223 -0.284 0.000 2.554 321 L HA 0.078 4.416 4.340 -0.003 0.000 0.226 321 L C 1.259 177.976 176.870 -0.255 0.000 1.137 321 L CA 0.745 55.388 54.840 -0.328 0.000 0.863 321 L CB 0.267 41.980 42.059 -0.577 0.000 0.985 321 L HN 0.521 nan 8.230 nan 0.000 0.451 322 G N -0.336 108.294 108.800 -0.284 0.000 2.148 322 G HA2 -0.230 3.728 3.960 -0.003 0.000 0.157 322 G HA3 -0.230 3.728 3.960 -0.003 0.000 0.157 322 G C 0.497 175.176 174.900 -0.368 0.000 1.012 322 G CA 0.172 45.133 45.100 -0.232 0.000 0.677 322 G HN 0.288 nan 8.290 nan 0.000 0.506 323 K N -2.247 117.698 120.400 -0.759 0.000 1.804 323 K HA -0.330 3.988 4.320 -0.003 0.000 0.138 323 K C 0.393 176.636 176.600 -0.596 0.000 0.925 323 K CA 2.154 57.691 56.287 -1.250 0.000 0.308 323 K CB -0.772 31.349 32.500 -0.633 0.000 0.710 323 K HN 0.518 nan 8.250 nan 0.000 0.806 324 Y N 0.461 120.666 120.300 -0.157 0.000 2.576 324 Y HA 0.202 4.750 4.550 -0.003 0.000 0.346 324 Y C -0.484 175.405 175.900 -0.018 0.000 1.018 324 Y CA -0.815 57.269 58.100 -0.027 0.000 1.050 324 Y CB 1.861 40.348 38.460 0.046 0.000 1.280 324 Y HN 0.323 nan 8.280 nan 0.000 0.474 325 D N 2.785 123.309 120.400 0.207 0.000 2.416 325 D HA 0.054 4.692 4.640 -0.003 0.000 0.240 325 D C 0.806 177.173 176.300 0.112 0.000 1.250 325 D CA 0.143 54.226 54.000 0.137 0.000 0.967 325 D CB 0.496 41.381 40.800 0.141 0.000 1.059 325 D HN 0.449 nan 8.370 nan 0.000 0.512 326 M N 2.530 122.182 119.600 0.087 0.000 2.617 326 M HA -0.140 4.338 4.480 -0.003 0.000 0.258 326 M C 0.997 177.319 176.300 0.036 0.000 1.067 326 M CA 0.822 56.154 55.300 0.053 0.000 1.057 326 M CB -0.348 32.278 32.600 0.043 0.000 1.397 326 M HN 0.463 nan 8.290 nan 0.000 0.499 327 M N -1.035 118.596 119.600 0.053 0.000 2.383 327 M HA 0.254 4.732 4.480 -0.003 0.000 0.247 327 M C 0.512 176.852 176.300 0.066 0.000 1.117 327 M CA 0.189 55.520 55.300 0.052 0.000 0.995 327 M CB -0.248 32.388 32.600 0.059 0.000 1.480 327 M HN 0.239 nan 8.290 nan 0.000 0.485 328 M N 0.846 120.483 119.600 0.062 0.000 2.197 328 M HA 0.153 4.631 4.480 -0.003 0.000 0.305 328 M C 0.166 176.487 176.300 0.036 0.000 1.162 328 M CA -0.198 55.144 55.300 0.070 0.000 1.099 328 M CB 0.657 33.296 32.600 0.064 0.000 1.430 328 M HN 0.059 nan 8.290 nan 0.000 0.481 329 D N -0.611 119.821 120.400 0.052 0.000 2.525 329 D HA 0.263 4.901 4.640 -0.003 0.000 0.249 329 D C 0.469 176.686 176.300 -0.138 0.000 1.072 329 D CA -0.806 53.195 54.000 0.001 0.000 1.067 329 D CB 0.680 41.565 40.800 0.142 0.000 1.282 329 D HN 0.258 nan 8.370 nan 0.000 0.587 330 V N -0.332 119.351 119.914 -0.385 0.000 2.660 330 V HA -0.215 3.903 4.120 -0.003 0.000 0.257 330 V C 1.253 176.917 176.094 -0.717 0.000 1.088 330 V CA 1.708 63.607 62.300 -0.669 0.000 1.106 330 V CB -0.864 30.358 31.823 -1.002 0.000 0.686 330 V HN 0.562 nan 8.190 nan 0.000 0.481 331 W N -0.139 121.074 121.300 -0.145 0.000 2.580 331 W HA 0.426 5.084 4.660 -0.003 0.000 0.287 331 W C 1.857 178.341 176.519 -0.058 0.000 1.175 331 W CA 0.355 57.593 57.345 -0.179 0.000 1.409 331 W CB -1.350 27.856 29.460 -0.423 0.000 1.101 331 W HN 0.151 nan 8.180 nan 0.000 0.558 332 G N 0.588 109.524 108.800 0.227 0.000 2.680 332 G HA2 0.297 4.255 3.960 -0.003 0.000 0.274 332 G HA3 0.297 4.255 3.960 -0.003 0.000 0.274 332 G C 0.256 175.200 174.900 0.072 0.000 1.292 332 G CA 0.039 45.234 45.100 0.158 0.000 1.007 332 G HN 0.278 nan 8.290 nan 0.000 0.578 333 G N -0.449 108.374 108.800 0.038 0.000 3.288 333 G HA2 0.421 4.379 3.960 -0.003 0.000 0.337 333 G HA3 0.421 4.379 3.960 -0.003 0.000 0.337 333 G C 0.876 175.752 174.900 -0.040 0.000 1.142 333 G CA 0.187 45.281 45.100 -0.010 0.000 1.304 333 G HN 0.611 nan 8.290 nan 0.000 0.475 334 E N 1.524 121.721 120.200 -0.006 0.000 2.396 334 E HA -0.190 4.158 4.350 -0.003 0.000 0.200 334 E C 0.970 177.555 176.600 -0.025 0.000 1.023 334 E CA 0.484 56.895 56.400 0.018 0.000 0.857 334 E CB -0.031 29.716 29.700 0.079 0.000 0.775 334 E HN 0.406 nan 8.360 nan 0.000 0.525 335 N N 0.842 119.507 118.700 -0.058 0.000 2.381 335 N HA -0.035 4.703 4.740 -0.003 0.000 0.182 335 N C 1.982 177.326 175.510 -0.277 0.000 1.025 335 N CA 0.538 53.519 53.050 -0.116 0.000 0.888 335 N CB -0.130 38.315 38.487 -0.071 0.000 0.965 335 N HN 0.280 nan 8.380 nan 0.000 0.438 336 L N 1.069 122.065 121.223 -0.378 0.000 2.005 336 L HA -0.119 4.219 4.340 -0.003 0.000 0.207 336 L C 2.580 178.889 176.870 -0.936 0.000 1.072 336 L CA 1.143 55.516 54.840 -0.779 0.000 0.744 336 L CB -0.343 41.278 42.059 -0.731 0.000 0.895 336 L HN 0.119 nan 8.230 nan 0.000 0.433 337 E N 0.584 120.484 120.200 -0.501 0.000 2.085 337 E HA -0.273 4.075 4.350 -0.003 0.000 0.194 337 E C 2.145 178.507 176.600 -0.397 0.000 0.994 337 E CA 1.543 57.748 56.400 -0.325 0.000 0.801 337 E CB -0.139 29.528 29.700 -0.055 0.000 0.743 337 E HN 0.364 nan 8.360 nan 0.000 0.453 338 I N 0.736 121.106 120.570 -0.332 0.000 2.394 338 I HA -0.175 3.993 4.170 -0.003 0.000 0.251 338 I C 2.154 178.050 176.117 -0.369 0.000 1.136 338 I CA 1.243 62.323 61.300 -0.367 0.000 1.425 338 I CB -0.262 37.524 38.000 -0.357 0.000 1.079 338 I HN -0.077 nan 8.210 nan 0.000 0.425 339 S N 0.166 115.669 115.700 -0.328 0.000 2.395 339 S HA -0.035 4.433 4.470 -0.003 0.000 0.225 339 S C 1.779 176.411 174.600 0.053 0.000 1.027 339 S CA 0.860 58.987 58.200 -0.120 0.000 0.965 339 S CB -0.393 62.776 63.200 -0.052 0.000 0.812 339 S HN 0.381 nan 8.310 nan 0.000 0.482 340 F N 1.971 121.716 119.950 -0.341 0.000 2.075 340 F HA 0.049 4.574 4.527 -0.003 0.000 0.297 340 F C 2.485 177.909 175.800 -0.626 0.000 1.113 340 F CA 0.765 58.468 58.000 -0.496 0.000 1.218 340 F CB -1.162 37.510 39.000 -0.547 0.000 0.984 340 F HN 0.128 nan 8.300 nan 0.000 0.472 341 R N 0.498 120.493 120.500 -0.842 0.000 2.091 341 R HA -0.140 4.199 4.340 -0.003 0.000 0.238 341 R C 2.116 178.145 176.300 -0.451 0.000 1.136 341 R CA 1.666 57.126 56.100 -1.068 0.000 0.959 341 R CB -0.544 29.169 30.300 -0.978 0.000 0.856 341 R HN 0.130 nan 8.270 nan 0.000 0.437 342 V N -0.212 119.500 119.914 -0.338 0.000 2.237 342 V HA -0.270 3.848 4.120 -0.003 0.000 0.245 342 V C 1.957 177.964 176.094 -0.145 0.000 1.046 342 V CA 2.170 64.301 62.300 -0.282 0.000 1.007 342 V CB -0.702 30.888 31.823 -0.388 0.000 0.638 342 V HN 0.473 nan 8.190 nan 0.000 0.445 343 W N -0.009 121.320 121.300 0.047 0.000 2.333 343 W HA -0.197 4.461 4.660 -0.003 0.000 0.316 343 W C 2.777 179.470 176.519 0.290 0.000 1.215 343 W CA 1.483 58.975 57.345 0.245 0.000 1.278 343 W CB -0.437 29.268 29.460 0.407 0.000 1.154 343 W HN 0.194 nan 8.180 nan 0.000 0.486 344 Q N -1.231 118.817 119.800 0.414 0.000 2.291 344 Q HA -0.136 4.202 4.340 -0.003 0.000 0.206 344 Q C 1.042 177.091 176.000 0.082 0.000 0.976 344 Q CA 0.823 56.793 55.803 0.279 0.000 0.875 344 Q CB -0.274 28.635 28.738 0.285 0.000 0.927 344 Q HN 0.251 nan 8.270 nan 0.000 0.450 345 c N 0.079 118.712 118.600 0.054 0.000 2.395 345 c HA 0.485 5.053 4.570 -0.003 0.000 0.315 345 c C 1.424 175.540 174.090 0.043 0.000 1.399 345 c CA -0.107 56.243 56.329 0.036 0.000 1.788 345 c CB -0.710 41.817 42.510 0.028 0.000 2.564 345 c HN 0.766 nan 8.230 nan 0.000 0.552 346 G N 1.093 109.914 108.800 0.034 0.000 2.454 346 G HA2 -0.175 3.783 3.960 -0.003 0.000 0.225 346 G HA3 -0.175 3.783 3.960 -0.003 0.000 0.225 346 G C 0.647 175.600 174.900 0.088 0.000 1.138 346 G CA 0.191 45.328 45.100 0.061 0.000 0.667 346 G HN 0.827 nan 8.290 nan 0.000 0.512 347 G N 0.090 108.947 108.800 0.096 0.000 2.529 347 G HA2 0.610 4.568 3.960 -0.003 0.000 0.277 347 G HA3 0.610 4.568 3.960 -0.003 0.000 0.277 347 G C 0.422 175.131 174.900 -0.319 0.000 1.383 347 G CA 1.589 46.691 45.100 0.005 0.000 1.050 347 G HN 2.025 nan 8.290 nan 0.000 0.526 348 S N -2.372 112.977 115.700 -0.584 0.000 2.615 348 S HA 0.623 5.091 4.470 -0.003 0.000 0.269 348 S C -1.703 172.351 174.600 -0.910 0.000 1.161 348 S CA -0.849 56.538 58.200 -1.355 0.000 0.817 348 S CB 1.819 64.597 63.200 -0.702 0.000 1.131 348 S HN 0.491 nan 8.310 nan 0.000 0.467 349 L N 1.324 122.062 121.223 -0.809 0.000 2.362 349 L HA 0.668 5.006 4.340 -0.003 0.000 0.275 349 L C -0.339 176.607 176.870 0.127 0.000 0.998 349 L CA -0.084 54.669 54.840 -0.144 0.000 0.820 349 L CB 1.441 43.556 42.059 0.093 0.000 1.270 349 L HN 0.916 nan 8.230 nan 0.000 0.415 350 E N 3.825 124.084 120.200 0.099 0.000 2.317 350 E HA 0.582 4.930 4.350 -0.003 0.000 0.270 350 E C -1.166 175.526 176.600 0.153 0.000 0.885 350 E CA -0.675 55.809 56.400 0.141 0.000 0.760 350 E CB 2.952 32.716 29.700 0.106 0.000 1.227 350 E HN 0.364 nan 8.360 nan 0.000 0.434 351 I N 3.116 123.785 120.570 0.164 0.000 2.362 351 I HA 0.283 4.451 4.170 -0.003 0.000 0.289 351 I C -0.608 175.599 176.117 0.150 0.000 0.994 351 I CA -0.890 60.515 61.300 0.176 0.000 1.158 351 I CB 0.951 39.071 38.000 0.200 0.000 1.315 351 I HN 0.295 nan 8.210 nan 0.000 0.451 352 I N 8.681 129.339 120.570 0.147 0.000 2.306 352 I HA 0.265 4.433 4.170 -0.003 0.000 0.288 352 I C -1.728 174.473 176.117 0.139 0.000 1.036 352 I CA -2.547 58.831 61.300 0.131 0.000 1.221 352 I CB 0.792 38.859 38.000 0.112 0.000 1.385 352 I HN 0.257 nan 8.210 nan 0.000 0.472 353 P HA -0.098 nan 4.420 nan 0.000 0.216 353 P C 1.568 178.964 177.300 0.160 0.000 1.153 353 P CA 1.479 64.658 63.100 0.133 0.000 0.858 353 P CB 0.353 32.112 31.700 0.098 0.000 0.789 354 c N -1.606 117.100 118.600 0.176 0.000 2.437 354 c HA 0.059 4.627 4.570 -0.003 0.000 0.283 354 c C 1.578 175.771 174.090 0.173 0.000 1.424 354 c CA 0.429 56.887 56.329 0.215 0.000 1.782 354 c CB -1.624 41.074 42.510 0.314 0.000 1.833 354 c HN 0.204 nan 8.230 nan 0.000 0.532 355 S N 1.176 116.963 115.700 0.145 0.000 2.457 355 S HA 0.498 4.966 4.470 -0.003 0.000 0.289 355 S C -0.454 174.268 174.600 0.204 0.000 1.163 355 S CA -0.276 58.021 58.200 0.161 0.000 1.078 355 S CB 0.037 63.319 63.200 0.137 0.000 0.987 355 S HN 0.412 nan 8.310 nan 0.000 0.482 356 R N 3.591 124.231 120.500 0.234 0.000 2.532 356 R HA 0.543 4.881 4.340 -0.003 0.000 0.297 356 R C -1.672 174.722 176.300 0.157 0.000 0.984 356 R CA -0.595 55.628 56.100 0.204 0.000 0.884 356 R CB 1.784 32.215 30.300 0.219 0.000 1.182 356 R HN 0.475 nan 8.270 nan 0.000 0.442 357 V N 1.540 121.512 119.914 0.097 0.000 2.569 357 V HA 0.444 4.562 4.120 -0.003 0.000 0.301 357 V C 0.556 176.641 176.094 -0.016 0.000 1.044 357 V CA -1.060 61.222 62.300 -0.030 0.000 0.874 357 V CB 2.079 33.810 31.823 -0.153 0.000 1.002 357 V HN 0.890 nan 8.190 nan 0.000 0.424 358 G N 2.386 111.197 108.800 0.017 0.000 2.483 358 G HA2 0.440 4.398 3.960 -0.003 0.000 0.248 358 G HA3 0.440 4.398 3.960 -0.003 0.000 0.248 358 G C -0.621 174.177 174.900 -0.170 0.000 1.248 358 G CA 0.040 45.038 45.100 -0.171 0.000 0.838 358 G HN 0.808 nan 8.290 nan 0.000 0.566 359 H N 0.579 119.428 119.070 -0.368 0.000 2.806 359 H HA 0.358 4.912 4.556 -0.003 0.000 0.367 359 H C -1.322 173.624 175.328 -0.637 0.000 1.136 359 H CA -0.591 55.136 56.048 -0.535 0.000 1.178 359 H CB 2.312 31.575 29.762 -0.831 0.000 1.718 359 H HN 0.260 nan 8.280 nan 0.000 0.540 360 V N 6.351 125.580 119.914 -1.143 0.000 2.353 360 V HA 0.162 4.280 4.120 -0.003 0.000 0.264 360 V C -0.211 175.348 176.094 -0.891 0.000 1.049 360 V CA -0.258 61.505 62.300 -0.894 0.000 0.896 360 V CB -0.427 30.837 31.823 -0.932 0.000 1.025 360 V HN 0.415 nan 8.190 nan 0.000 0.475 361 F N 4.636 124.421 119.950 -0.275 0.000 2.396 361 F HA 0.544 5.069 4.527 -0.003 0.000 0.343 361 F C 1.227 177.033 175.800 0.010 0.000 1.104 361 F CA -0.741 57.217 58.000 -0.070 0.000 1.161 361 F CB 0.809 39.748 39.000 -0.101 0.000 1.146 361 F HN 0.487 nan 8.300 nan 0.000 0.522 362 R N 2.363 123.056 120.500 0.323 0.000 2.738 362 R HA 0.246 4.584 4.340 -0.003 0.000 0.275 362 R C 0.907 177.371 176.300 0.273 0.000 1.121 362 R CA -0.815 55.452 56.100 0.277 0.000 1.207 362 R CB 0.394 30.862 30.300 0.280 0.000 1.141 362 R HN 0.602 nan 8.270 nan 0.000 0.571 363 K N 0.610 121.130 120.400 0.199 0.000 1.988 363 K HA -0.294 4.024 4.320 -0.003 0.000 0.231 363 K C 1.290 177.975 176.600 0.142 0.000 1.044 363 K CA 2.289 58.654 56.287 0.129 0.000 1.013 363 K CB -0.250 32.305 32.500 0.091 0.000 0.736 363 K HN 0.566 nan 8.250 nan 0.000 0.446 364 Q N 0.419 120.349 119.800 0.216 0.000 2.286 364 Q HA 0.065 4.403 4.340 -0.003 0.000 0.281 364 Q C -0.523 175.738 176.000 0.435 0.000 0.897 364 Q CA -0.299 55.718 55.803 0.357 0.000 1.023 364 Q CB 0.378 29.383 28.738 0.445 0.000 1.151 364 Q HN 0.265 nan 8.270 nan 0.000 0.445 365 H N 1.271 120.527 119.070 0.309 0.000 3.001 365 H HA -0.015 4.540 4.556 -0.003 0.000 0.334 365 H C -1.794 173.716 175.328 0.304 0.000 1.034 365 H CA -1.146 55.089 56.048 0.311 0.000 1.420 365 H CB 1.162 31.162 29.762 0.397 0.000 1.405 365 H HN 0.084 nan 8.280 nan 0.000 0.593 366 P HA -0.156 nan 4.420 nan 0.000 0.219 366 P C 1.135 178.703 177.300 0.447 0.000 1.146 366 P CA 1.172 64.481 63.100 0.348 0.000 0.808 366 P CB -0.184 31.655 31.700 0.233 0.000 0.779 367 Y N 0.408 120.911 120.300 0.338 0.000 2.352 367 Y HA -0.174 4.374 4.550 -0.003 0.000 0.292 367 Y C 1.945 177.950 175.900 0.176 0.000 1.136 367 Y CA 1.952 60.120 58.100 0.114 0.000 1.227 367 Y CB -0.228 38.055 38.460 -0.295 0.000 0.991 367 Y HN 0.057 nan 8.280 nan 0.000 0.545 368 T N -3.716 111.002 114.554 0.274 0.000 2.978 368 T HA 0.104 4.452 4.350 -0.003 0.000 0.248 368 T C 0.117 175.015 174.700 0.329 0.000 1.018 368 T CA -0.237 61.976 62.100 0.187 0.000 1.026 368 T CB -0.472 68.413 68.868 0.030 0.000 1.032 368 T HN 0.163 nan 8.240 nan 0.000 0.485 369 F N 3.615 123.672 119.950 0.179 0.000 2.347 369 F HA 0.489 5.014 4.527 -0.003 0.000 0.366 369 F C -2.804 173.095 175.800 0.164 0.000 1.107 369 F CA -3.309 54.780 58.000 0.149 0.000 1.058 369 F CB 1.462 40.548 39.000 0.142 0.000 1.236 369 F HN -0.095 nan 8.300 nan 0.000 0.456 370 P HA 0.078 nan 4.420 nan 0.000 0.264 370 P C 0.510 177.645 177.300 -0.276 0.000 1.183 370 P CA 1.517 64.578 63.100 -0.066 0.000 0.763 370 P CB 0.729 32.412 31.700 -0.029 0.000 0.807 371 G N 1.815 110.546 108.800 -0.115 0.000 2.245 371 G HA2 -0.074 3.884 3.960 -0.003 0.000 0.264 371 G HA3 -0.074 3.884 3.960 -0.003 0.000 0.264 371 G C 0.693 175.547 174.900 -0.075 0.000 0.985 371 G CA 0.316 45.352 45.100 -0.105 0.000 0.625 371 G HN 1.040 nan 8.290 nan 0.000 0.536 372 G N -0.942 107.811 108.800 -0.079 0.000 2.593 372 G HA2 0.123 4.081 3.960 -0.003 0.000 0.237 372 G HA3 0.123 4.081 3.960 -0.003 0.000 0.237 372 G C 1.246 176.191 174.900 0.076 0.000 1.312 372 G CA 1.801 46.940 45.100 0.065 0.000 0.896 372 G HN 1.982 nan 8.290 nan 0.000 0.574 373 S N -0.466 115.349 115.700 0.191 0.000 2.481 373 S HA 0.376 4.844 4.470 -0.003 0.000 0.231 373 S C 2.144 176.830 174.600 0.144 0.000 0.996 373 S CA 1.372 59.713 58.200 0.235 0.000 0.942 373 S CB 0.068 63.403 63.200 0.225 0.000 0.768 373 S HN 2.847 nan 8.310 nan 0.000 0.520 374 G N 0.228 109.083 108.800 0.091 0.000 2.303 374 G HA2 -0.065 3.893 3.960 -0.003 0.000 0.260 374 G HA3 -0.065 3.893 3.960 -0.003 0.000 0.260 374 G C -0.078 174.861 174.900 0.064 0.000 1.106 374 G CA 0.059 45.197 45.100 0.063 0.000 0.900 374 G HN 1.143 nan 8.290 nan 0.000 0.495 375 T N -1.543 113.060 114.554 0.082 0.000 3.767 375 T HA 0.533 4.881 4.350 -0.003 0.000 0.360 375 T C -1.149 173.613 174.700 0.103 0.000 1.181 375 T CA 0.256 62.383 62.100 0.045 0.000 1.110 375 T CB 1.674 70.558 68.868 0.027 0.000 1.201 375 T HN 1.184 nan 8.240 nan 0.000 0.474 376 V N 5.978 125.929 119.914 0.061 0.000 2.567 376 V HA 0.474 4.592 4.120 -0.003 0.000 0.298 376 V C -0.521 175.658 176.094 0.143 0.000 1.047 376 V CA -0.940 61.472 62.300 0.187 0.000 0.880 376 V CB 1.475 33.413 31.823 0.192 0.000 1.009 376 V HN 0.936 nan 8.190 nan 0.000 0.429 377 F N 3.244 123.221 119.950 0.046 0.000 2.556 377 F HA 0.300 4.825 4.527 -0.003 0.000 0.344 377 F C 1.812 177.672 175.800 0.101 0.000 1.255 377 F CA 0.085 58.090 58.000 0.007 0.000 1.091 377 F CB 0.668 39.588 39.000 -0.134 0.000 1.325 377 F HN 0.697 nan 8.300 nan 0.000 0.627 378 A N 3.639 126.606 122.820 0.245 0.000 2.104 378 A HA -0.287 4.031 4.320 -0.003 0.000 0.223 378 A C 2.527 180.259 177.584 0.246 0.000 1.164 378 A CA 1.844 54.035 52.037 0.256 0.000 0.659 378 A CB -0.716 18.443 19.000 0.266 0.000 0.808 378 A HN 0.816 nan 8.150 nan 0.000 0.465 379 R N 0.018 120.675 120.500 0.263 0.000 2.206 379 R HA -0.289 4.049 4.340 -0.003 0.000 0.240 379 R C 1.898 178.325 176.300 0.211 0.000 1.117 379 R CA 2.573 58.831 56.100 0.264 0.000 0.915 379 R CB -0.686 29.774 30.300 0.266 0.000 0.888 379 R HN 0.801 nan 8.270 nan 0.000 0.432 380 N N -1.411 117.398 118.700 0.182 0.000 2.289 380 N HA -0.108 4.630 4.740 -0.003 0.000 0.184 380 N C 1.462 176.999 175.510 0.045 0.000 1.016 380 N CA 1.519 54.639 53.050 0.116 0.000 0.872 380 N CB -0.031 38.517 38.487 0.101 0.000 0.973 380 N HN 0.347 nan 8.380 nan 0.000 0.433 381 T N 0.637 115.214 114.554 0.037 0.000 2.812 381 T HA -0.004 4.344 4.350 -0.003 0.000 0.264 381 T C 1.841 176.443 174.700 -0.164 0.000 1.042 381 T CA 0.713 62.753 62.100 -0.101 0.000 1.140 381 T CB 0.019 68.840 68.868 -0.078 0.000 0.870 381 T HN 0.193 nan 8.240 nan 0.000 0.445 382 R N 0.837 121.320 120.500 -0.028 0.000 2.066 382 R HA 0.054 4.392 4.340 -0.003 0.000 0.232 382 R C 2.759 178.926 176.300 -0.221 0.000 1.131 382 R CA 1.093 57.124 56.100 -0.115 0.000 0.955 382 R CB -0.181 30.022 30.300 -0.163 0.000 0.851 382 R HN 0.311 nan 8.270 nan 0.000 0.432 383 R N 0.041 120.499 120.500 -0.070 0.000 2.117 383 R HA -0.172 4.166 4.340 -0.003 0.000 0.243 383 R C 2.224 178.557 176.300 0.056 0.000 1.143 383 R CA 1.630 57.761 56.100 0.051 0.000 0.968 383 R CB -0.324 30.072 30.300 0.160 0.000 0.863 383 R HN 0.234 nan 8.270 nan 0.000 0.444 384 A N 0.895 123.741 122.820 0.043 0.000 1.874 384 A HA 0.018 4.336 4.320 -0.003 0.000 0.214 384 A C 2.366 180.057 177.584 0.179 0.000 1.189 384 A CA 1.253 53.384 52.037 0.157 0.000 0.615 384 A CB -0.601 18.390 19.000 -0.015 0.000 0.830 384 A HN 0.365 nan 8.150 nan 0.000 0.443 385 A N -0.184 122.610 122.820 -0.044 0.000 1.883 385 A HA -0.177 4.141 4.320 -0.003 0.000 0.217 385 A C 1.870 179.410 177.584 -0.073 0.000 1.186 385 A CA 1.752 53.719 52.037 -0.116 0.000 0.624 385 A CB -0.489 18.308 19.000 -0.338 0.000 0.822 385 A HN 0.454 nan 8.150 nan 0.000 0.444 386 E N -0.424 119.726 120.200 -0.083 0.000 2.268 386 E HA -0.060 4.288 4.350 -0.003 0.000 0.195 386 E C 1.901 178.448 176.600 -0.087 0.000 0.995 386 E CA 1.015 57.377 56.400 -0.062 0.000 0.836 386 E CB -0.132 29.494 29.700 -0.124 0.000 0.763 386 E HN 0.443 nan 8.360 nan 0.000 0.491 387 V N -1.413 118.414 119.914 -0.144 0.000 2.949 387 V HA -0.056 4.062 4.120 -0.003 0.000 0.245 387 V C 1.168 176.868 176.094 -0.657 0.000 1.086 387 V CA 0.896 62.936 62.300 -0.433 0.000 1.097 387 V CB -0.128 31.360 31.823 -0.559 0.000 0.762 387 V HN 0.268 nan 8.190 nan 0.000 0.470 388 W N -2.095 119.211 121.300 0.010 0.000 2.873 388 W HA 0.326 4.984 4.660 -0.003 0.000 0.282 388 W C 1.943 178.396 176.519 -0.110 0.000 1.118 388 W CA -0.148 57.206 57.345 0.014 0.000 1.480 388 W CB -0.098 29.426 29.460 0.106 0.000 0.954 388 W HN 0.019 nan 8.180 nan 0.000 0.591 389 M N 0.827 120.326 119.600 -0.168 0.000 2.659 389 M HA -0.030 4.448 4.480 -0.003 0.000 0.243 389 M C -0.011 176.263 176.300 -0.044 0.000 1.111 389 M CA 0.837 55.803 55.300 -0.557 0.000 1.070 389 M CB -0.660 31.499 32.600 -0.735 0.000 1.525 389 M HN -0.113 nan 8.290 nan 0.000 0.517 390 D N 0.655 121.075 120.400 0.033 0.000 3.229 390 D HA -0.249 4.389 4.640 -0.003 0.000 0.214 390 D C 0.713 177.000 176.300 -0.022 0.000 1.556 390 D CA 1.813 55.847 54.000 0.055 0.000 1.086 390 D CB -0.517 40.380 40.800 0.163 0.000 0.676 390 D HN 0.283 nan 8.370 nan 0.000 0.791 391 E N -0.659 119.473 120.200 -0.114 0.000 2.331 391 E HA -0.166 4.182 4.350 -0.003 0.000 0.199 391 E C 1.777 178.127 176.600 -0.417 0.000 1.008 391 E CA 1.221 57.457 56.400 -0.273 0.000 0.843 391 E CB -0.425 29.057 29.700 -0.365 0.000 0.761 391 E HN 0.500 nan 8.360 nan 0.000 0.507 392 Y N 1.521 121.734 120.300 -0.144 0.000 2.639 392 Y HA -0.073 4.475 4.550 -0.003 0.000 0.297 392 Y C 1.771 177.598 175.900 -0.122 0.000 1.151 392 Y CA 0.834 58.830 58.100 -0.172 0.000 1.335 392 Y CB -0.388 38.226 38.460 0.257 0.000 0.994 392 Y HN 0.130 nan 8.280 nan 0.000 0.548 393 K N -0.623 119.766 120.400 -0.018 0.000 2.288 393 K HA -0.099 4.219 4.320 -0.003 0.000 0.201 393 K C 1.159 177.775 176.600 0.027 0.000 1.048 393 K CA 1.283 57.567 56.287 -0.005 0.000 0.956 393 K CB -0.172 32.328 32.500 0.000 0.000 0.746 393 K HN 0.178 nan 8.250 nan 0.000 0.461 394 N N 0.892 119.577 118.700 -0.026 0.000 2.309 394 N HA -0.072 4.666 4.740 -0.003 0.000 0.182 394 N C 1.494 177.033 175.510 0.048 0.000 1.018 394 N CA 1.024 54.094 53.050 0.033 0.000 0.876 394 N CB -0.270 38.119 38.487 -0.163 0.000 0.972 394 N HN 0.304 nan 8.380 nan 0.000 0.434 395 F N -0.122 119.804 119.950 -0.040 0.000 2.163 395 F HA -0.191 4.334 4.527 -0.004 0.000 0.297 395 F C 2.428 178.282 175.800 0.091 0.000 1.094 395 F CA 0.433 58.325 58.000 -0.179 0.000 1.290 395 F CB -0.308 38.218 39.000 -0.790 0.000 1.017 395 F HN 0.015 nan 8.300 nan 0.000 0.483 396 Y N 0.288 120.758 120.300 0.282 0.000 2.165 396 Y HA -0.314 4.234 4.550 -0.003 0.000 0.286 396 Y C 1.973 177.918 175.900 0.074 0.000 1.155 396 Y CA 1.347 59.559 58.100 0.188 0.000 1.164 396 Y CB -1.152 37.283 38.460 -0.041 0.000 0.978 396 Y HN 0.032 nan 8.280 nan 0.000 0.513 397 Y N 0.016 120.270 120.300 -0.076 0.000 2.421 397 Y HA 0.010 4.558 4.550 -0.003 0.000 0.292 397 Y C 2.622 178.471 175.900 -0.085 0.000 1.136 397 Y CA 0.668 58.640 58.100 -0.214 0.000 1.255 397 Y CB -1.114 37.291 38.460 -0.092 0.000 0.991 397 Y HN 0.279 nan 8.280 nan 0.000 0.552 398 A N -0.302 122.611 122.820 0.157 0.000 1.968 398 A HA 0.055 4.373 4.320 -0.003 0.000 0.217 398 A C 2.366 180.029 177.584 0.132 0.000 1.169 398 A CA 1.404 53.527 52.037 0.143 0.000 0.638 398 A CB -0.845 18.261 19.000 0.177 0.000 0.812 398 A HN 0.328 nan 8.150 nan 0.000 0.446 399 A N -1.073 121.834 122.820 0.145 0.000 2.072 399 A HA 0.380 4.698 4.320 -0.003 0.000 0.216 399 A C 0.677 178.308 177.584 0.078 0.000 1.156 399 A CA 1.176 53.311 52.037 0.164 0.000 0.701 399 A CB 0.088 19.256 19.000 0.280 0.000 0.816 399 A HN 0.564 nan 8.150 nan 0.000 0.458 400 V N 0.162 120.052 119.914 -0.040 0.000 2.546 400 V HA 0.170 4.288 4.120 -0.003 0.000 0.260 400 V C -2.189 173.870 176.094 -0.059 0.000 0.933 400 V CA -0.782 61.464 62.300 -0.089 0.000 0.994 400 V CB 1.003 32.687 31.823 -0.231 0.000 1.160 400 V HN 0.121 nan 8.190 nan 0.000 0.523 401 P HA -0.231 nan 4.420 nan 0.000 0.214 401 P C 2.081 179.385 177.300 0.007 0.000 1.169 401 P CA 2.338 65.449 63.100 0.017 0.000 0.908 401 P CB 0.117 31.830 31.700 0.021 0.000 0.791 402 S N -0.174 115.530 115.700 0.008 0.000 2.413 402 S HA -0.288 4.180 4.470 -0.003 0.000 0.237 402 S C 2.070 176.688 174.600 0.031 0.000 1.044 402 S CA 1.617 59.823 58.200 0.009 0.000 1.024 402 S CB -1.691 61.510 63.200 0.003 0.000 0.829 402 S HN 0.205 nan 8.310 nan 0.000 0.475 403 A N 2.131 124.984 122.820 0.056 0.000 2.070 403 A HA -0.025 4.293 4.320 -0.003 0.000 0.220 403 A C 2.331 180.003 177.584 0.147 0.000 1.159 403 A CA 1.108 53.233 52.037 0.146 0.000 0.656 403 A CB -0.595 18.513 19.000 0.180 0.000 0.800 403 A HN 0.605 nan 8.150 nan 0.000 0.453 404 R N -0.309 120.187 120.500 -0.006 0.000 2.152 404 R HA -0.077 4.261 4.340 -0.003 0.000 0.232 404 R C 1.229 177.497 176.300 -0.053 0.000 1.117 404 R CA 1.184 57.166 56.100 -0.197 0.000 0.981 404 R CB -0.302 29.839 30.300 -0.265 0.000 0.870 404 R HN 0.570 nan 8.270 nan 0.000 0.451 405 N N 0.825 119.527 118.700 0.003 0.000 2.279 405 N HA 0.024 4.762 4.740 -0.003 0.000 0.226 405 N C -1.094 174.455 175.510 0.064 0.000 1.126 405 N CA 0.060 53.125 53.050 0.024 0.000 0.846 405 N CB 0.663 39.153 38.487 0.006 0.000 1.050 405 N HN -0.112 nan 8.380 nan 0.000 0.502 406 V N 2.841 122.826 119.914 0.118 0.000 2.384 406 V HA 0.391 4.509 4.120 -0.003 0.000 0.287 406 V C -2.138 174.099 176.094 0.238 0.000 1.020 406 V CA -1.629 60.765 62.300 0.156 0.000 0.850 406 V CB 1.573 33.502 31.823 0.177 0.000 0.987 406 V HN 0.116 nan 8.190 nan 0.000 0.436 407 P HA 0.186 nan 4.420 nan 0.000 0.271 407 P C -0.591 176.854 177.300 0.241 0.000 1.216 407 P CA 0.159 63.342 63.100 0.138 0.000 0.776 407 P CB 0.128 31.860 31.700 0.054 0.000 0.881 408 Y N 0.152 120.503 120.300 0.084 0.000 2.767 408 Y HA 0.551 5.098 4.550 -0.004 0.000 0.254 408 Y C 0.759 176.702 175.900 0.072 0.000 1.133 408 Y CA -0.193 57.964 58.100 0.095 0.000 1.225 408 Y CB -0.249 38.281 38.460 0.117 0.000 1.312 408 Y HN 0.658 nan 8.280 nan 0.000 0.560 409 G N 2.247 110.911 108.800 -0.227 0.000 2.698 409 G HA2 -0.372 3.586 3.960 -0.003 0.000 0.233 409 G HA3 -0.372 3.586 3.960 -0.003 0.000 0.233 409 G C -0.981 173.787 174.900 -0.219 0.000 1.352 409 G CA -0.170 44.831 45.100 -0.165 0.000 0.879 409 G HN 0.768 nan 8.290 nan 0.000 0.567 410 N N -0.080 118.565 118.700 -0.091 0.000 2.488 410 N HA 0.518 5.256 4.740 -0.003 0.000 0.274 410 N C 1.089 176.606 175.510 0.012 0.000 1.111 410 N CA 0.120 53.136 53.050 -0.057 0.000 0.974 410 N CB 0.473 38.937 38.487 -0.038 0.000 1.089 410 N HN 1.037 nan 8.380 nan 0.000 0.465 411 I N 0.240 120.834 120.570 0.041 0.000 3.856 411 I HA 0.368 4.536 4.170 -0.003 0.000 0.330 411 I C 1.264 177.389 176.117 0.014 0.000 1.546 411 I CA -0.471 60.871 61.300 0.069 0.000 1.132 411 I CB 0.579 38.670 38.000 0.151 0.000 1.157 411 I HN 0.402 nan 8.210 nan 0.000 0.440 412 Q N 2.333 122.133 119.800 0.001 0.000 1.993 412 Q HA -0.197 4.141 4.340 -0.003 0.000 0.202 412 Q C 2.491 178.476 176.000 -0.024 0.000 0.984 412 Q CA 3.064 58.858 55.803 -0.016 0.000 0.837 412 Q CB -0.342 28.387 28.738 -0.016 0.000 0.902 412 Q HN 0.734 nan 8.270 nan 0.000 0.423 413 S N -0.317 115.374 115.700 -0.014 0.000 2.419 413 S HA -0.142 4.326 4.470 -0.003 0.000 0.233 413 S C 1.852 176.438 174.600 -0.023 0.000 1.016 413 S CA 0.759 58.950 58.200 -0.015 0.000 0.974 413 S CB -0.218 62.980 63.200 -0.004 0.000 0.786 413 S HN 0.287 nan 8.310 nan 0.000 0.492 414 R N 0.852 121.337 120.500 -0.025 0.000 2.073 414 R HA 0.192 4.530 4.340 -0.003 0.000 0.229 414 R C 2.382 178.592 176.300 -0.149 0.000 1.120 414 R CA 1.096 57.169 56.100 -0.045 0.000 0.967 414 R CB -0.945 29.347 30.300 -0.014 0.000 0.862 414 R HN 0.457 nan 8.270 nan 0.000 0.436 415 L N 0.816 121.948 121.223 -0.151 0.000 2.191 415 L HA -0.156 4.182 4.340 -0.003 0.000 0.212 415 L C 2.120 178.905 176.870 -0.142 0.000 1.103 415 L CA 1.327 56.049 54.840 -0.197 0.000 0.769 415 L CB -0.273 41.709 42.059 -0.129 0.000 0.908 415 L HN 0.250 nan 8.230 nan 0.000 0.438 416 E N -0.245 119.903 120.200 -0.087 0.000 2.112 416 E HA -0.207 4.141 4.350 -0.003 0.000 0.190 416 E C 2.056 178.627 176.600 -0.048 0.000 0.979 416 E CA 0.617 56.983 56.400 -0.057 0.000 0.814 416 E CB -0.023 29.656 29.700 -0.036 0.000 0.762 416 E HN 0.248 nan 8.360 nan 0.000 0.460 417 L N 1.588 122.785 121.223 -0.043 0.000 2.083 417 L HA -0.180 4.158 4.340 -0.003 0.000 0.209 417 L C 2.333 179.208 176.870 0.008 0.000 1.083 417 L CA 1.748 56.584 54.840 -0.005 0.000 0.752 417 L CB -0.264 41.811 42.059 0.027 0.000 0.899 417 L HN -0.075 nan 8.230 nan 0.000 0.433 418 R N -0.427 120.028 120.500 -0.075 0.000 2.075 418 R HA -0.234 4.104 4.340 -0.003 0.000 0.232 418 R C 2.363 178.645 176.300 -0.029 0.000 1.126 418 R CA 1.703 57.751 56.100 -0.086 0.000 0.963 418 R CB -0.174 29.864 30.300 -0.437 0.000 0.858 418 R HN 0.359 nan 8.270 nan 0.000 0.435 419 K N 1.277 121.644 120.400 -0.056 0.000 1.991 419 K HA -0.198 4.120 4.320 -0.003 0.000 0.212 419 K C 2.036 178.631 176.600 -0.008 0.000 1.049 419 K CA 2.108 58.377 56.287 -0.031 0.000 0.932 419 K CB -0.289 32.188 32.500 -0.038 0.000 0.717 419 K HN 0.051 nan 8.250 nan 0.000 0.441 420 K N -0.077 120.318 120.400 -0.007 0.000 2.015 420 K HA -0.186 4.132 4.320 -0.003 0.000 0.216 420 K C 1.785 178.392 176.600 0.013 0.000 1.052 420 K CA 1.852 58.139 56.287 0.001 0.000 0.937 420 K CB -0.287 32.212 32.500 -0.001 0.000 0.719 420 K HN 0.158 nan 8.250 nan 0.000 0.446 421 L N 1.766 123.007 121.223 0.029 0.000 2.549 421 L HA -0.027 4.311 4.340 -0.003 0.000 0.229 421 L C 0.963 177.859 176.870 0.043 0.000 1.158 421 L CA 1.425 56.292 54.840 0.045 0.000 0.842 421 L CB -0.926 41.180 42.059 0.079 0.000 0.952 421 L HN 0.356 nan 8.230 nan 0.000 0.452 422 S N -1.264 114.455 115.700 0.032 0.000 3.559 422 S HA -0.231 4.237 4.470 -0.003 0.000 0.369 422 S C 0.774 175.389 174.600 0.026 0.000 0.987 422 S CA 0.238 58.450 58.200 0.021 0.000 1.187 422 S CB -1.690 61.513 63.200 0.004 0.000 0.914 422 S HN 0.464 nan 8.310 nan 0.000 0.480 423 c N 2.999 121.646 118.600 0.079 0.000 2.700 423 c HA 0.349 4.917 4.570 -0.003 0.000 0.397 423 c C 1.275 175.400 174.090 0.058 0.000 1.301 423 c CA -0.864 55.526 56.329 0.103 0.000 2.219 423 c CB 0.372 43.067 42.510 0.309 0.000 2.699 423 c HN 0.594 nan 8.230 nan 0.000 0.669 424 K N 2.356 122.735 120.400 -0.035 0.000 2.149 424 K HA 0.295 4.613 4.320 -0.003 0.000 0.245 424 K C -2.164 174.545 176.600 0.182 0.000 1.024 424 K CA -0.663 55.580 56.287 -0.074 0.000 0.899 424 K CB -0.249 31.947 32.500 -0.508 0.000 1.038 424 K HN 0.512 nan 8.250 nan 0.000 0.496 425 P HA 0.107 nan 4.420 nan 0.000 0.279 425 P C 0.398 177.983 177.300 0.475 0.000 1.276 425 P CA -0.416 62.891 63.100 0.344 0.000 0.801 425 P CB 0.484 32.360 31.700 0.293 0.000 1.127 426 F N 0.530 120.662 119.950 0.302 0.000 2.186 426 F HA -0.109 4.416 4.527 -0.003 0.000 0.299 426 F C 2.479 178.391 175.800 0.186 0.000 1.090 426 F CA 1.328 59.469 58.000 0.235 0.000 1.307 426 F CB 0.013 39.134 39.000 0.201 0.000 1.019 426 F HN 0.221 nan 8.300 nan 0.000 0.489 427 K N -0.315 120.301 120.400 0.360 0.000 2.152 427 K HA -0.282 4.036 4.320 -0.003 0.000 0.206 427 K C 2.015 178.668 176.600 0.087 0.000 1.048 427 K CA 1.850 58.255 56.287 0.196 0.000 0.933 427 K CB -0.665 32.073 32.500 0.396 0.000 0.721 427 K HN 0.526 nan 8.250 nan 0.000 0.447 428 W N 0.489 121.816 121.300 0.045 0.000 2.381 428 W HA -0.247 4.411 4.660 -0.004 0.000 0.301 428 W C 2.025 178.508 176.519 -0.061 0.000 1.205 428 W CA 1.619 58.973 57.345 0.016 0.000 1.285 428 W CB -0.650 28.857 29.460 0.077 0.000 1.133 428 W HN 0.158 nan 8.180 nan 0.000 0.521 429 Y N 0.760 120.933 120.300 -0.212 0.000 2.181 429 Y HA -0.224 4.324 4.550 -0.003 0.000 0.288 429 Y C 2.188 177.678 175.900 -0.683 0.000 1.146 429 Y CA 2.524 60.300 58.100 -0.540 0.000 1.164 429 Y CB -0.709 37.461 38.460 -0.483 0.000 0.982 429 Y HN -0.056 nan 8.280 nan 0.000 0.515 430 L N -0.118 120.702 121.223 -0.671 0.000 2.056 430 L HA -0.194 4.144 4.340 -0.003 0.000 0.207 430 L C 2.307 178.842 176.870 -0.559 0.000 1.078 430 L CA 1.820 56.278 54.840 -0.637 0.000 0.749 430 L CB -0.582 41.193 42.059 -0.474 0.000 0.901 430 L HN 0.246 nan 8.230 nan 0.000 0.433 431 E N -0.082 119.832 120.200 -0.477 0.000 2.150 431 E HA -0.129 4.219 4.350 -0.003 0.000 0.193 431 E C 1.533 177.827 176.600 -0.510 0.000 0.985 431 E CA 0.924 57.081 56.400 -0.406 0.000 0.814 431 E CB 0.077 29.605 29.700 -0.286 0.000 0.752 431 E HN 0.538 nan 8.360 nan 0.000 0.466 432 N N -0.616 117.621 118.700 -0.771 0.000 2.332 432 N HA 0.017 4.755 4.740 -0.003 0.000 0.190 432 N C 1.456 176.487 175.510 -0.799 0.000 1.117 432 N CA 0.424 53.000 53.050 -0.790 0.000 0.883 432 N CB 1.231 39.048 38.487 -1.117 0.000 1.089 432 N HN -0.005 nan 8.380 nan 0.000 0.480 433 V N -0.632 118.674 119.914 -1.014 0.000 3.048 433 V HA 0.113 4.231 4.120 -0.003 0.000 0.241 433 V C -0.062 175.503 176.094 -0.881 0.000 1.129 433 V CA 0.555 62.191 62.300 -1.106 0.000 1.128 433 V CB 0.290 31.199 31.823 -1.523 0.000 0.849 433 V HN 0.141 nan 8.190 nan 0.000 0.475 434 Y N 2.428 122.082 120.300 -1.077 0.000 2.501 434 Y HA 0.422 4.970 4.550 -0.003 0.000 0.331 434 Y C -2.063 173.472 175.900 -0.608 0.000 0.950 434 Y CA -3.231 54.393 58.100 -0.793 0.000 1.120 434 Y CB 0.855 38.806 38.460 -0.849 0.000 1.154 434 Y HN 0.176 nan 8.280 nan 0.000 0.630 435 P HA -0.176 nan 4.420 nan 0.000 0.222 435 P C 0.778 177.846 177.300 -0.386 0.000 1.147 435 P CA 1.409 64.276 63.100 -0.388 0.000 0.790 435 P CB 0.275 31.790 31.700 -0.309 0.000 0.780 436 E N -0.185 119.769 120.200 -0.411 0.000 2.482 436 E HA -0.062 4.286 4.350 -0.003 0.000 0.196 436 E C 0.698 176.954 176.600 -0.573 0.000 1.047 436 E CA -0.052 56.120 56.400 -0.380 0.000 0.869 436 E CB -0.620 28.945 29.700 -0.225 0.000 0.836 436 E HN 0.223 nan 8.360 nan 0.000 0.520 437 L N 2.297 122.944 121.223 -0.959 0.000 2.325 437 L HA 0.202 4.540 4.340 -0.003 0.000 0.284 437 L C 0.035 176.657 176.870 -0.413 0.000 1.089 437 L CA -0.471 53.794 54.840 -0.958 0.000 0.836 437 L CB 0.548 41.708 42.059 -1.498 0.000 1.184 437 L HN -0.131 nan 8.230 nan 0.000 0.444 438 R N 3.956 124.347 120.500 -0.181 0.000 2.404 438 R HA 0.270 4.608 4.340 -0.003 0.000 0.315 438 R C -0.845 175.572 176.300 0.195 0.000 1.032 438 R CA -0.040 56.074 56.100 0.024 0.000 0.992 438 R CB 0.479 30.855 30.300 0.127 0.000 0.959 438 R HN 0.642 nan 8.270 nan 0.000 0.428 439 V N 7.546 127.500 119.914 0.067 0.000 2.427 439 V HA 0.495 4.613 4.120 -0.003 0.000 0.286 439 V C -1.957 173.810 176.094 -0.545 0.000 1.034 439 V CA -2.179 60.102 62.300 -0.032 0.000 0.893 439 V CB 1.510 33.460 31.823 0.211 0.000 0.982 439 V HN 0.781 nan 8.190 nan 0.000 0.452 440 P HA 0.122 nan 4.420 nan 0.000 0.271 440 P C -0.729 176.245 177.300 -0.544 0.000 1.244 440 P CA -0.153 62.052 63.100 -1.493 0.000 0.793 440 P CB 0.551 31.072 31.700 -1.965 0.000 0.984 441 D N -0.626 119.602 120.400 -0.286 0.000 2.345 441 D HA -0.030 4.608 4.640 -0.003 0.000 0.247 441 D C 1.456 177.855 176.300 0.165 0.000 1.108 441 D CA -0.065 53.940 54.000 0.008 0.000 0.894 441 D CB 0.432 41.266 40.800 0.056 0.000 1.203 441 D HN 0.537 nan 8.370 nan 0.000 0.430 442 H N 1.345 120.442 119.070 0.044 0.000 2.489 442 H HA -0.077 4.477 4.556 -0.003 0.000 0.295 442 H C 0.687 176.019 175.328 0.008 0.000 1.082 442 H CA 0.863 56.931 56.048 0.034 0.000 1.295 442 H CB 0.196 29.944 29.762 -0.024 0.000 1.380 442 H HN 0.374 nan 8.280 nan 0.000 0.548 443 Q N 0.929 120.700 119.800 -0.049 0.000 2.188 443 Q HA 0.099 4.437 4.340 -0.003 0.000 0.212 443 Q C -0.610 175.365 176.000 -0.042 0.000 0.846 443 Q CA -0.476 55.223 55.803 -0.174 0.000 0.989 443 Q CB 0.782 29.366 28.738 -0.256 0.000 1.114 443 Q HN 0.446 nan 8.270 nan 0.000 0.488 444 D N 0.223 120.625 120.400 0.003 0.000 2.341 444 D HA 0.056 4.694 4.640 -0.003 0.000 0.245 444 D C 1.000 177.289 176.300 -0.019 0.000 1.106 444 D CA -0.082 53.920 54.000 0.003 0.000 0.905 444 D CB 1.208 42.013 40.800 0.007 0.000 1.202 444 D HN -0.021 nan 8.370 nan 0.000 0.426 445 I N 0.262 120.802 120.570 -0.050 0.000 3.035 445 I HA 0.183 4.351 4.170 -0.003 0.000 0.271 445 I C 0.807 176.849 176.117 -0.126 0.000 1.190 445 I CA 0.481 61.738 61.300 -0.072 0.000 1.472 445 I CB -0.824 37.133 38.000 -0.071 0.000 1.116 445 I HN 0.277 nan 8.210 nan 0.000 0.443 446 A N -0.164 122.514 122.820 -0.237 0.000 2.604 446 A HA 0.686 5.004 4.320 -0.003 0.000 0.295 446 A C -1.696 175.730 177.584 -0.264 0.000 1.067 446 A CA -0.342 51.462 52.037 -0.387 0.000 0.683 446 A CB 2.119 20.538 19.000 -0.969 0.000 1.281 446 A HN 0.003 nan 8.150 nan 0.000 0.407 447 F N 0.029 119.866 119.950 -0.187 0.000 2.713 447 F HA 0.704 5.229 4.527 -0.004 0.000 0.311 447 F C 0.457 176.427 175.800 0.283 0.000 1.141 447 F CA 1.047 59.075 58.000 0.047 0.000 0.939 447 F CB 1.696 40.641 39.000 -0.092 0.000 1.325 447 F HN 2.069 nan 8.300 nan 0.000 0.453 448 G N 1.331 109.801 108.800 -0.549 0.000 2.384 448 G HA2 0.442 4.400 3.960 -0.003 0.000 0.200 448 G HA3 0.442 4.400 3.960 -0.003 0.000 0.200 448 G C -1.399 173.486 174.900 -0.025 0.000 1.205 448 G CA -0.224 44.760 45.100 -0.194 0.000 1.116 448 G HN 1.542 nan 8.290 nan 0.000 0.547 449 A N -0.318 122.540 122.820 0.064 0.000 2.327 449 A HA 0.707 5.025 4.320 -0.003 0.000 0.283 449 A C 0.240 177.816 177.584 -0.013 0.000 1.127 449 A CA -0.316 51.769 52.037 0.081 0.000 0.810 449 A CB 0.955 20.003 19.000 0.080 0.000 1.066 449 A HN 1.338 nan 8.150 nan 0.000 0.492 450 L N 3.399 124.560 121.223 -0.103 0.000 2.288 450 L HA 0.247 4.585 4.340 -0.003 0.000 0.283 450 L C -0.125 176.723 176.870 -0.036 0.000 1.072 450 L CA -0.046 54.596 54.840 -0.331 0.000 0.862 450 L CB 0.450 42.101 42.059 -0.680 0.000 1.245 450 L HN 0.959 nan 8.230 nan 0.000 0.432 451 Q N 3.869 123.668 119.800 -0.001 0.000 2.235 451 Q HA 0.475 4.813 4.340 -0.003 0.000 0.256 451 Q C -0.856 175.114 176.000 -0.050 0.000 0.951 451 Q CA -0.758 55.062 55.803 0.028 0.000 0.890 451 Q CB 2.323 31.067 28.738 0.011 0.000 1.279 451 Q HN 0.502 nan 8.270 nan 0.000 0.444 452 Q N 1.069 120.761 119.800 -0.180 0.000 2.337 452 Q HA 0.448 4.786 4.340 -0.003 0.000 0.260 452 Q C -0.140 175.713 176.000 -0.245 0.000 0.982 452 Q CA 0.261 55.818 55.803 -0.409 0.000 0.734 452 Q CB 1.083 29.267 28.738 -0.923 0.000 1.272 452 Q HN 1.007 nan 8.270 nan 0.000 0.461 453 G N 1.926 110.622 108.800 -0.174 0.000 2.564 453 G HA2 -0.397 3.561 3.960 -0.003 0.000 0.273 453 G HA3 -0.397 3.561 3.960 -0.003 0.000 0.273 453 G C 0.517 175.378 174.900 -0.066 0.000 1.242 453 G CA 0.342 45.377 45.100 -0.110 0.000 0.951 453 G HN 1.024 nan 8.290 nan 0.000 0.564 454 T N -0.929 113.601 114.554 -0.040 0.000 3.169 454 T HA 0.249 4.597 4.350 -0.003 0.000 0.250 454 T C 0.760 175.467 174.700 0.012 0.000 1.111 454 T CA 0.849 62.946 62.100 -0.005 0.000 1.010 454 T CB -0.202 68.671 68.868 0.009 0.000 0.984 454 T HN 0.530 nan 8.240 nan 0.000 0.537 455 N N 0.539 119.231 118.700 -0.014 0.000 2.508 455 N HA 0.436 5.174 4.740 -0.003 0.000 0.285 455 N C -0.987 174.553 175.510 0.050 0.000 1.144 455 N CA -0.473 52.588 53.050 0.019 0.000 0.978 455 N CB 1.449 39.925 38.487 -0.019 0.000 1.180 455 N HN 0.223 nan 8.380 nan 0.000 0.484 456 c N 1.279 119.941 118.600 0.103 0.000 2.507 456 c HA 0.388 4.956 4.570 -0.003 0.000 0.319 456 c C 0.553 174.723 174.090 0.132 0.000 1.208 456 c CA -0.940 55.461 56.329 0.119 0.000 1.619 456 c CB 1.136 43.718 42.510 0.119 0.000 2.230 456 c HN 0.583 nan 8.230 nan 0.000 0.492 457 L N 3.930 125.199 121.223 0.077 0.000 2.490 457 L HA 0.210 4.548 4.340 -0.003 0.000 0.274 457 L C -0.242 176.687 176.870 0.098 0.000 1.201 457 L CA 1.392 56.183 54.840 -0.081 0.000 0.869 457 L CB 0.223 41.938 42.059 -0.573 0.000 1.123 457 L HN 0.713 nan 8.230 nan 0.000 0.484 458 D N 2.148 122.608 120.400 0.101 0.000 2.947 458 D HA 0.071 4.709 4.640 -0.003 0.000 0.224 458 D C 0.736 177.089 176.300 0.087 0.000 1.230 458 D CA -0.136 53.970 54.000 0.176 0.000 0.871 458 D CB 2.219 43.173 40.800 0.256 0.000 1.671 458 D HN 0.680 nan 8.370 nan 0.000 0.507 459 T N 0.769 115.322 114.554 -0.001 0.000 3.051 459 T HA -0.021 4.327 4.350 -0.003 0.000 0.269 459 T C 1.705 176.194 174.700 -0.352 0.000 1.127 459 T CA 0.558 62.551 62.100 -0.179 0.000 1.107 459 T CB -0.274 68.289 68.868 -0.508 0.000 0.898 459 T HN 0.615 nan 8.240 nan 0.000 0.517 460 L N -0.319 120.741 121.223 -0.271 0.000 4.625 460 L HA -0.243 4.095 4.340 -0.003 0.000 0.428 460 L C 1.491 177.980 176.870 -0.635 0.000 1.129 460 L CA 0.429 55.059 54.840 -0.350 0.000 0.978 460 L CB -2.450 39.284 42.059 -0.542 0.000 2.043 460 L HN 0.698 nan 8.230 nan 0.000 0.847 461 G N -1.079 107.302 108.800 -0.699 0.000 2.162 461 G HA2 -0.297 3.661 3.960 -0.003 0.000 0.260 461 G HA3 -0.297 3.661 3.960 -0.003 0.000 0.260 461 G C 0.176 174.664 174.900 -0.687 0.000 0.976 461 G CA 0.555 45.203 45.100 -0.753 0.000 0.655 461 G HN 0.591 nan 8.290 nan 0.000 0.533 462 H N 0.002 118.741 119.070 -0.552 0.000 2.680 462 H HA 0.375 4.929 4.556 -0.003 0.000 0.224 462 H C 0.873 176.029 175.328 -0.287 0.000 1.866 462 H CA -1.465 54.412 56.048 -0.285 0.000 1.302 462 H CB -0.950 28.718 29.762 -0.157 0.000 1.709 462 H HN 0.379 nan 8.280 nan 0.000 0.537 463 F N 0.735 120.749 119.950 0.108 0.000 2.733 463 F HA 0.245 4.770 4.527 -0.004 0.000 0.301 463 F C 1.052 176.893 175.800 0.067 0.000 1.240 463 F CA -0.089 57.954 58.000 0.070 0.000 1.432 463 F CB 0.287 39.311 39.000 0.040 0.000 1.089 463 F HN 0.323 nan 8.300 nan 0.000 0.533 464 A N 0.636 123.560 122.820 0.173 0.000 2.684 464 A HA 0.410 4.728 4.320 -0.003 0.000 0.289 464 A C 0.016 177.641 177.584 0.068 0.000 1.139 464 A CA -0.739 51.370 52.037 0.119 0.000 0.793 464 A CB 0.021 19.084 19.000 0.105 0.000 1.334 464 A HN 0.259 nan 8.150 nan 0.000 0.408 465 D N 1.051 121.490 120.400 0.067 0.000 2.701 465 D HA -0.120 4.518 4.640 -0.003 0.000 0.235 465 D C 0.585 176.891 176.300 0.011 0.000 1.155 465 D CA 1.905 55.929 54.000 0.039 0.000 0.649 465 D CB -0.840 39.975 40.800 0.025 0.000 1.050 465 D HN 1.079 nan 8.370 nan 0.000 0.425 466 G N -0.920 107.896 108.800 0.026 0.000 2.471 466 G HA2 0.581 4.539 3.960 -0.003 0.000 0.332 466 G HA3 0.581 4.539 3.960 -0.003 0.000 0.332 466 G C 0.159 175.067 174.900 0.013 0.000 1.176 466 G CA -0.365 44.723 45.100 -0.020 0.000 0.949 466 G HN 0.789 nan 8.290 nan 0.000 0.488 467 V N -0.809 119.095 119.914 -0.018 0.000 2.649 467 V HA 0.626 4.744 4.120 -0.003 0.000 0.292 467 V C 0.404 176.567 176.094 0.116 0.000 1.055 467 V CA -0.796 61.521 62.300 0.029 0.000 1.023 467 V CB 1.077 32.898 31.823 -0.004 0.000 0.992 467 V HN 0.489 nan 8.190 nan 0.000 0.480 468 V N 4.314 124.243 119.914 0.025 0.000 2.966 468 V HA 0.987 5.105 4.120 -0.003 0.000 0.317 468 V C 0.788 176.852 176.094 -0.049 0.000 1.070 468 V CA 0.700 62.989 62.300 -0.018 0.000 1.008 468 V CB 1.695 33.456 31.823 -0.103 0.000 1.070 468 V HN 1.409 nan 8.190 nan 0.000 0.457 469 G N 2.149 110.908 108.800 -0.068 0.000 3.000 469 G HA2 0.677 4.636 3.960 -0.003 0.000 0.170 469 G HA3 0.677 4.636 3.960 -0.003 0.000 0.170 469 G C -0.971 173.898 174.900 -0.053 0.000 1.160 469 G CA 0.273 45.332 45.100 -0.068 0.000 0.945 469 G HN 1.522 nan 8.290 nan 0.000 0.593 470 V N -3.007 116.856 119.914 -0.085 0.000 3.120 470 V HA 0.853 4.971 4.120 -0.003 0.000 0.303 470 V C -1.784 174.220 176.094 -0.151 0.000 1.238 470 V CA -1.178 61.106 62.300 -0.026 0.000 1.008 470 V CB 1.417 33.267 31.823 0.045 0.000 1.064 470 V HN 0.780 nan 8.190 nan 0.000 0.434 471 Y N 0.754 121.064 120.300 0.017 0.000 2.570 471 Y HA 0.584 5.132 4.550 -0.003 0.000 0.345 471 Y C 0.446 176.379 175.900 0.055 0.000 1.014 471 Y CA -0.659 57.458 58.100 0.028 0.000 1.063 471 Y CB 2.000 40.468 38.460 0.012 0.000 1.272 471 Y HN 0.914 nan 8.280 nan 0.000 0.477 472 E N 0.861 121.216 120.200 0.257 0.000 2.344 472 E HA 0.256 4.604 4.350 -0.003 0.000 0.270 472 E C -0.706 176.041 176.600 0.246 0.000 1.021 472 E CA -0.557 55.949 56.400 0.178 0.000 0.887 472 E CB 0.440 30.216 29.700 0.126 0.000 0.997 472 E HN 0.432 nan 8.360 nan 0.000 0.429 473 c N 3.290 121.998 118.600 0.180 0.000 2.692 473 c HA 0.013 4.581 4.570 -0.003 0.000 0.409 473 c C 0.219 174.473 174.090 0.273 0.000 1.284 473 c CA -0.089 56.360 56.329 0.199 0.000 1.909 473 c CB -1.097 41.484 42.510 0.118 0.000 2.713 473 c HN 0.697 nan 8.230 nan 0.000 0.649 474 H N 2.040 121.133 119.070 0.039 0.000 2.504 474 H HA 0.353 4.907 4.556 -0.003 0.000 0.322 474 H C 0.450 175.791 175.328 0.022 0.000 1.055 474 H CA -0.038 56.027 56.048 0.029 0.000 1.231 474 H CB 0.426 30.200 29.762 0.020 0.000 1.417 474 H HN 0.578 nan 8.280 nan 0.000 0.472 479 N N -0.180 118.538 118.700 0.030 0.000 3.100 479 N HA 0.253 4.991 4.740 -0.003 0.000 0.309 479 N C -0.249 175.254 175.510 -0.012 0.000 1.404 479 N CA -0.494 52.537 53.050 -0.031 0.000 0.727 479 N CB 0.066 38.498 38.487 -0.092 0.000 1.627 479 N HN 0.476 nan 8.380 nan 0.000 0.464 480 Q N 0.680 120.480 119.800 -0.000 0.000 2.296 480 Q HA 0.140 4.478 4.340 -0.003 0.000 0.263 480 Q C -0.921 175.120 176.000 0.069 0.000 1.026 480 Q CA 0.308 56.129 55.803 0.029 0.000 0.912 480 Q CB 0.491 29.241 28.738 0.019 0.000 1.198 480 Q HN 0.360 nan 8.270 nan 0.000 0.407 481 E N 2.417 122.596 120.200 -0.034 0.000 2.242 481 E HA 0.316 4.664 4.350 -0.003 0.000 0.275 481 E C -1.277 175.168 176.600 -0.258 0.000 1.002 481 E CA -0.313 56.013 56.400 -0.123 0.000 0.841 481 E CB 1.037 30.573 29.700 -0.274 0.000 1.109 481 E HN 0.406 nan 8.360 nan 0.000 0.394 482 W N 0.588 121.782 121.300 -0.178 0.000 2.992 482 W HA 0.691 5.349 4.660 -0.003 0.000 0.342 482 W C -0.843 175.632 176.519 -0.073 0.000 1.176 482 W CA -0.616 56.706 57.345 -0.039 0.000 1.118 482 W CB 1.478 30.954 29.460 0.027 0.000 1.457 482 W HN 0.474 nan 8.180 nan 0.000 0.573 483 A N 1.722 124.755 122.820 0.354 0.000 2.422 483 A HA 0.706 5.024 4.320 -0.003 0.000 0.302 483 A C -2.031 175.674 177.584 0.202 0.000 1.041 483 A CA -0.786 51.424 52.037 0.289 0.000 0.708 483 A CB 1.346 20.566 19.000 0.366 0.000 1.257 483 A HN 0.774 nan 8.150 nan 0.000 0.414 484 L N 3.827 125.020 121.223 -0.050 0.000 2.287 484 L HA 0.390 4.728 4.340 -0.003 0.000 0.280 484 L C 0.850 177.711 176.870 -0.015 0.000 1.055 484 L CA -0.294 54.494 54.840 -0.087 0.000 0.863 484 L CB 0.671 42.493 42.059 -0.395 0.000 1.245 484 L HN 0.984 nan 8.230 nan 0.000 0.432 485 T N 0.084 114.678 114.554 0.067 0.000 2.813 485 T HA 0.078 4.426 4.350 -0.003 0.000 0.297 485 T C 1.191 175.915 174.700 0.040 0.000 1.036 485 T CA -0.316 61.822 62.100 0.063 0.000 1.044 485 T CB 1.123 70.044 68.868 0.088 0.000 0.993 485 T HN 0.721 nan 8.240 nan 0.000 0.535 486 K N 0.373 120.787 120.400 0.024 0.000 2.211 486 K HA -0.167 4.151 4.320 -0.003 0.000 0.204 486 K C 1.212 177.825 176.600 0.022 0.000 1.047 486 K CA 1.696 57.987 56.287 0.006 0.000 0.935 486 K CB -0.204 32.285 32.500 -0.018 0.000 0.728 486 K HN 0.714 nan 8.250 nan 0.000 0.452 487 E N 0.970 121.194 120.200 0.041 0.000 2.463 487 E HA 0.044 4.392 4.350 -0.003 0.000 0.191 487 E C -0.408 176.231 176.600 0.066 0.000 1.083 487 E CA 0.085 56.513 56.400 0.047 0.000 0.872 487 E CB 0.343 30.074 29.700 0.053 0.000 0.966 487 E HN 0.181 nan 8.360 nan 0.000 0.491 488 K N -0.645 119.801 120.400 0.077 0.000 3.291 488 K HA -0.123 4.195 4.320 -0.003 0.000 0.290 488 K C -0.466 176.247 176.600 0.189 0.000 1.235 488 K CA 0.359 56.714 56.287 0.113 0.000 0.848 488 K CB -2.354 30.199 32.500 0.088 0.000 1.295 488 K HN 0.147 nan 8.250 nan 0.000 0.497 489 S N -0.136 115.674 115.700 0.184 0.000 2.638 489 S HA 0.593 5.061 4.470 -0.003 0.000 0.298 489 S C 0.040 174.787 174.600 0.245 0.000 1.111 489 S CA -0.689 57.663 58.200 0.253 0.000 1.027 489 S CB 2.440 65.760 63.200 0.200 0.000 1.064 489 S HN 0.075 nan 8.310 nan 0.000 0.525 490 V N 3.700 123.772 119.914 0.264 0.000 2.284 490 V HA 0.362 4.480 4.120 -0.003 0.000 0.274 490 V C -0.055 176.242 176.094 0.339 0.000 1.023 490 V CA -0.598 61.828 62.300 0.210 0.000 0.808 490 V CB 0.390 32.151 31.823 -0.104 0.000 1.035 490 V HN 0.828 nan 8.190 nan 0.000 0.445 491 K N 2.284 122.910 120.400 0.377 0.000 2.295 491 K HA 0.756 5.074 4.320 -0.003 0.000 0.239 491 K C -0.947 175.800 176.600 0.245 0.000 0.991 491 K CA -0.987 55.512 56.287 0.353 0.000 0.845 491 K CB 2.361 34.976 32.500 0.193 0.000 1.197 491 K HN 0.518 nan 8.250 nan 0.000 0.441 492 H N 2.222 121.196 119.070 -0.160 0.000 2.953 492 H HA 0.336 4.889 4.556 -0.003 0.000 0.290 492 H C -0.146 175.033 175.328 -0.249 0.000 1.113 492 H CA -0.014 55.696 56.048 -0.563 0.000 1.454 492 H CB 0.088 29.074 29.762 -1.294 0.000 1.525 492 H HN 0.896 nan 8.280 nan 0.000 0.505 493 M N 1.208 120.589 119.600 -0.364 0.000 7.319 493 M HA -0.304 4.174 4.480 -0.003 0.000 0.328 493 M C 0.145 176.398 176.300 -0.078 0.000 0.480 493 M CA 2.026 57.185 55.300 -0.234 0.000 1.311 493 M CB -1.086 31.354 32.600 -0.267 0.000 0.421 493 M HN 0.679 nan 8.290 nan 0.000 0.511 494 D N 1.904 122.282 120.400 -0.037 0.000 2.424 494 D HA 0.449 5.087 4.640 -0.003 0.000 0.220 494 D C -0.212 176.126 176.300 0.063 0.000 1.150 494 D CA 0.210 54.219 54.000 0.016 0.000 0.831 494 D CB -0.256 40.548 40.800 0.006 0.000 0.981 494 D HN 0.408 nan 8.370 nan 0.000 0.500 495 L N 0.424 121.701 121.223 0.091 0.000 2.307 495 L HA 0.460 4.798 4.340 -0.003 0.000 0.284 495 L C -0.371 176.624 176.870 0.210 0.000 1.023 495 L CA -0.836 54.095 54.840 0.152 0.000 0.810 495 L CB 1.930 44.107 42.059 0.197 0.000 1.231 495 L HN -0.012 nan 8.230 nan 0.000 0.423 496 c N 3.304 122.031 118.600 0.212 0.000 2.435 496 c HA 0.490 5.058 4.570 -0.003 0.000 0.333 496 c C 0.362 174.600 174.090 0.247 0.000 1.202 496 c CA -0.858 55.621 56.329 0.250 0.000 1.830 496 c CB 1.671 44.305 42.510 0.207 0.000 2.326 496 c HN 0.601 nan 8.230 nan 0.000 0.507 497 L N 3.068 124.431 121.223 0.234 0.000 2.361 497 L HA 0.287 4.625 4.340 -0.003 0.000 0.278 497 L C 0.313 177.370 176.870 0.311 0.000 1.113 497 L CA 0.747 55.672 54.840 0.142 0.000 0.849 497 L CB 0.245 42.191 42.059 -0.187 0.000 1.155 497 L HN 0.749 nan 8.230 nan 0.000 0.452 498 T N 2.329 117.002 114.554 0.198 0.000 2.823 498 T HA 0.329 4.677 4.350 -0.003 0.000 0.279 498 T C 0.112 174.845 174.700 0.056 0.000 0.998 498 T CA -0.513 61.666 62.100 0.131 0.000 0.994 498 T CB 2.218 71.133 68.868 0.079 0.000 0.960 498 T HN 0.195 nan 8.240 nan 0.000 0.448 499 V N 4.364 124.212 119.914 -0.110 0.000 2.222 499 V HA 0.070 4.188 4.120 -0.003 0.000 0.253 499 V C 1.605 177.634 176.094 -0.109 0.000 1.210 499 V CA -0.084 62.089 62.300 -0.211 0.000 1.079 499 V CB -0.133 31.281 31.823 -0.681 0.000 1.265 499 V HN 0.856 nan 8.190 nan 0.000 0.494 500 V N 1.825 121.715 119.914 -0.040 0.000 2.252 500 V HA -0.151 3.967 4.120 -0.003 0.000 0.249 500 V C 1.028 177.110 176.094 -0.020 0.000 1.056 500 V CA 2.151 64.440 62.300 -0.019 0.000 1.022 500 V CB -0.075 31.745 31.823 -0.005 0.000 0.641 500 V HN 0.919 nan 8.190 nan 0.000 0.445 501 D N -1.289 119.098 120.400 -0.021 0.000 2.629 501 D HA 0.233 4.871 4.640 -0.003 0.000 0.250 501 D C 0.716 177.009 176.300 -0.011 0.000 1.126 501 D CA -0.768 53.225 54.000 -0.011 0.000 0.852 501 D CB 1.321 42.118 40.800 -0.004 0.000 1.335 501 D HN 0.302 nan 8.370 nan 0.000 0.518 502 R N 2.160 122.660 120.500 0.001 0.000 2.423 502 R HA 0.482 4.820 4.340 -0.003 0.000 0.248 502 R C 0.070 176.383 176.300 0.020 0.000 1.019 502 R CA -0.522 55.588 56.100 0.017 0.000 1.119 502 R CB 0.078 30.408 30.300 0.050 0.000 1.176 502 R HN 0.174 nan 8.270 nan 0.000 0.526 503 A N 2.437 125.265 122.820 0.013 0.000 2.309 503 A HA 0.459 4.777 4.320 -0.003 0.000 0.298 503 A C -2.316 175.279 177.584 0.019 0.000 1.165 503 A CA -2.086 49.959 52.037 0.014 0.000 0.821 503 A CB 0.476 19.482 19.000 0.009 0.000 1.102 503 A HN 0.079 nan 8.150 nan 0.000 0.500 504 P HA 0.135 nan 4.420 nan 0.000 0.263 504 P C 1.164 178.478 177.300 0.023 0.000 1.168 504 P CA 2.307 65.423 63.100 0.027 0.000 0.759 504 P CB 0.506 32.221 31.700 0.025 0.000 0.782 505 G N 1.796 110.613 108.800 0.028 0.000 2.258 505 G HA2 -0.253 3.705 3.960 -0.003 0.000 0.233 505 G HA3 -0.253 3.705 3.960 -0.003 0.000 0.233 505 G C 0.393 175.304 174.900 0.019 0.000 1.006 505 G CA 0.010 45.124 45.100 0.022 0.000 0.620 505 G HN 0.590 nan 8.290 nan 0.000 0.511 506 S N 1.801 117.511 115.700 0.017 0.000 2.544 506 S HA 0.421 4.889 4.470 -0.003 0.000 0.290 506 S C 0.928 175.535 174.600 0.013 0.000 1.276 506 S CA -0.112 58.094 58.200 0.011 0.000 1.075 506 S CB 0.524 63.728 63.200 0.007 0.000 0.849 506 S HN 0.468 nan 8.310 nan 0.000 0.494 507 L N 4.442 125.668 121.223 0.006 0.000 2.456 507 L HA 0.321 4.659 4.340 -0.003 0.000 0.272 507 L C 0.693 177.566 176.870 0.004 0.000 1.189 507 L CA -0.318 54.524 54.840 0.003 0.000 0.846 507 L CB 0.024 42.080 42.059 -0.005 0.000 1.111 507 L HN 0.631 nan 8.230 nan 0.000 0.475 508 I N -0.036 120.537 120.570 0.005 0.000 2.934 508 I HA 0.501 4.669 4.170 -0.003 0.000 0.315 508 I C -0.396 175.725 176.117 0.007 0.000 0.997 508 I CA -0.823 60.487 61.300 0.017 0.000 1.184 508 I CB 1.194 39.217 38.000 0.040 0.000 1.400 508 I HN 0.443 nan 8.210 nan 0.000 0.549 509 K N 3.029 123.443 120.400 0.025 0.000 2.477 509 K HA 0.498 4.816 4.320 -0.003 0.000 0.255 509 K C -1.475 175.162 176.600 0.061 0.000 0.952 509 K CA -0.892 55.412 56.287 0.030 0.000 0.826 509 K CB 2.570 35.084 32.500 0.024 0.000 1.331 509 K HN 0.561 nan 8.250 nan 0.000 0.437 510 L N 2.476 123.746 121.223 0.077 0.000 2.260 510 L HA 0.262 4.600 4.340 -0.003 0.000 0.289 510 L C -0.487 176.454 176.870 0.119 0.000 1.057 510 L CA 0.616 55.533 54.840 0.129 0.000 0.811 510 L CB 0.423 42.575 42.059 0.155 0.000 1.184 510 L HN 0.490 nan 8.230 nan 0.000 0.429 511 Q N 2.915 122.791 119.800 0.128 0.000 2.544 511 Q HA 0.568 4.906 4.340 -0.003 0.000 0.291 511 Q C -0.318 175.749 176.000 0.111 0.000 1.068 511 Q CA -0.996 54.870 55.803 0.105 0.000 0.785 511 Q CB 1.420 30.207 28.738 0.081 0.000 1.481 511 Q HN 0.781 nan 8.270 nan 0.000 0.430 512 G N 0.402 109.254 108.800 0.088 0.000 2.343 512 G HA2 0.194 4.152 3.960 -0.003 0.000 0.254 512 G HA3 0.194 4.152 3.960 -0.003 0.000 0.254 512 G C 0.097 175.044 174.900 0.079 0.000 1.277 512 G CA -0.285 44.862 45.100 0.078 0.000 0.909 512 G HN 0.560 nan 8.290 nan 0.000 0.502 513 c N 2.524 121.176 118.600 0.086 0.000 2.634 513 c HA 0.246 4.814 4.570 -0.003 0.000 0.417 513 c C 0.862 174.992 174.090 0.067 0.000 1.334 513 c CA -0.255 56.127 56.329 0.089 0.000 1.829 513 c CB -0.569 41.997 42.510 0.092 0.000 2.665 513 c HN 0.663 nan 8.230 nan 0.000 0.614 514 R N 2.690 123.230 120.500 0.065 0.000 2.422 514 R HA 0.220 4.558 4.340 -0.003 0.000 0.307 514 R C 0.655 176.984 176.300 0.048 0.000 1.004 514 R CA -0.433 55.697 56.100 0.050 0.000 0.882 514 R CB 1.084 31.410 30.300 0.043 0.000 1.164 514 R HN 0.804 nan 8.270 nan 0.000 0.489 515 E N 1.734 121.960 120.200 0.042 0.000 2.464 515 E HA -0.331 4.017 4.350 -0.003 0.000 0.250 515 E C 0.611 177.233 176.600 0.037 0.000 1.063 515 E CA 2.080 58.504 56.400 0.039 0.000 1.155 515 E CB -0.061 29.657 29.700 0.030 0.000 1.041 515 E HN 0.530 nan 8.360 nan 0.000 0.495 516 N N 1.086 119.804 118.700 0.030 0.000 2.235 516 N HA -0.007 4.731 4.740 -0.003 0.000 0.209 516 N C -0.628 174.897 175.510 0.025 0.000 1.122 516 N CA 0.073 53.138 53.050 0.025 0.000 0.845 516 N CB 0.242 38.739 38.487 0.016 0.000 1.004 516 N HN 0.136 nan 8.380 nan 0.000 0.499 517 D N 0.896 121.315 120.400 0.033 0.000 2.434 517 D HA -0.021 4.617 4.640 -0.003 0.000 0.252 517 D C 1.345 177.664 176.300 0.033 0.000 1.185 517 D CA 0.178 54.197 54.000 0.032 0.000 0.886 517 D CB 0.862 41.686 40.800 0.040 0.000 1.148 517 D HN 0.137 nan 8.370 nan 0.000 0.483 518 S N 3.829 119.543 115.700 0.022 0.000 2.428 518 S HA -0.146 4.322 4.470 -0.003 0.000 0.230 518 S C 1.606 176.246 174.600 0.068 0.000 1.014 518 S CA 0.352 58.564 58.200 0.021 0.000 0.957 518 S CB -0.011 63.187 63.200 -0.004 0.000 0.784 518 S HN 0.446 nan 8.310 nan 0.000 0.499 519 R N 1.416 121.944 120.500 0.046 0.000 2.339 519 R HA 0.203 4.541 4.340 -0.003 0.000 0.199 519 R C 1.580 177.833 176.300 -0.078 0.000 1.018 519 R CA 0.752 56.845 56.100 -0.012 0.000 1.036 519 R CB -0.328 29.952 30.300 -0.033 0.000 0.899 519 R HN 0.636 nan 8.270 nan 0.000 0.473 520 Q N -0.080 119.729 119.800 0.016 0.000 2.172 520 Q HA 0.167 4.505 4.340 -0.003 0.000 0.217 520 Q C -0.557 175.513 176.000 0.117 0.000 0.832 520 Q CA -0.006 55.857 55.803 0.099 0.000 1.010 520 Q CB 0.903 29.727 28.738 0.142 0.000 1.133 520 Q HN 0.120 nan 8.270 nan 0.000 0.489 521 K N 0.609 120.992 120.400 -0.028 0.000 2.213 521 K HA 0.357 4.675 4.320 -0.003 0.000 0.270 521 K C -1.209 175.303 176.600 -0.147 0.000 1.002 521 K CA -0.156 56.133 56.287 0.003 0.000 0.868 521 K CB 1.005 33.498 32.500 -0.011 0.000 1.093 521 K HN -0.051 nan 8.250 nan 0.000 0.454 522 W N 1.375 122.743 121.300 0.112 0.000 2.902 522 W HA 0.306 4.964 4.660 -0.003 0.000 0.346 522 W C -0.345 176.217 176.519 0.072 0.000 1.139 522 W CA -0.552 56.856 57.345 0.105 0.000 1.139 522 W CB 1.525 31.032 29.460 0.080 0.000 1.439 522 W HN 0.533 nan 8.180 nan 0.000 0.558 523 E N 0.171 120.571 120.200 0.334 0.000 2.366 523 E HA 0.426 4.774 4.350 -0.003 0.000 0.278 523 E C -1.379 175.347 176.600 0.210 0.000 0.923 523 E CA -1.169 55.353 56.400 0.202 0.000 0.761 523 E CB 1.792 31.561 29.700 0.115 0.000 1.231 523 E HN 0.465 nan 8.360 nan 0.000 0.443 524 Q N 2.044 121.942 119.800 0.164 0.000 2.259 524 Q HA 0.558 4.896 4.340 -0.003 0.000 0.249 524 Q C 0.113 176.189 176.000 0.126 0.000 0.914 524 Q CA -0.462 55.441 55.803 0.166 0.000 0.904 524 Q CB 1.507 30.337 28.738 0.153 0.000 1.213 524 Q HN 0.603 nan 8.270 nan 0.000 0.428 525 I N -2.955 117.691 120.570 0.127 0.000 3.343 525 I HA 0.431 4.599 4.170 -0.003 0.000 0.315 525 I C -0.760 175.409 176.117 0.086 0.000 1.153 525 I CA -1.295 60.062 61.300 0.095 0.000 0.952 525 I CB 1.880 39.935 38.000 0.091 0.000 1.287 525 I HN 0.635 nan 8.210 nan 0.000 0.472 526 E N 1.708 121.947 120.200 0.065 0.000 2.183 526 E HA -0.172 4.176 4.350 -0.003 0.000 0.196 526 E C 0.646 177.279 176.600 0.055 0.000 1.364 526 E CA 0.829 57.261 56.400 0.053 0.000 0.700 526 E CB -1.588 28.142 29.700 0.051 0.000 1.106 526 E HN 1.315 nan 8.360 nan 0.000 0.347 527 G N 1.831 110.664 108.800 0.054 0.000 2.333 527 G HA2 -0.365 3.593 3.960 -0.003 0.000 0.296 527 G HA3 -0.365 3.593 3.960 -0.003 0.000 0.296 527 G C 0.064 175.008 174.900 0.073 0.000 1.059 527 G CA 0.118 45.250 45.100 0.053 0.000 1.050 527 G HN 0.563 nan 8.290 nan 0.000 0.508 528 N N -1.763 116.992 118.700 0.093 0.000 2.725 528 N HA -0.226 4.512 4.740 -0.003 0.000 0.251 528 N C 1.322 176.915 175.510 0.137 0.000 1.031 528 N CA 1.805 54.934 53.050 0.132 0.000 0.720 528 N CB -1.442 37.124 38.487 0.132 0.000 0.930 528 N HN 1.508 nan 8.380 nan 0.000 0.543 529 S N -2.178 113.591 115.700 0.115 0.000 2.559 529 S HA 0.187 4.655 4.470 -0.003 0.000 0.226 529 S C 0.408 175.077 174.600 0.115 0.000 1.000 529 S CA -0.085 58.171 58.200 0.092 0.000 0.948 529 S CB 0.995 64.226 63.200 0.052 0.000 0.870 529 S HN 0.449 nan 8.310 nan 0.000 0.497 530 K N 0.313 120.812 120.400 0.166 0.000 2.578 530 K HA 0.543 4.861 4.320 -0.003 0.000 0.287 530 K C -1.907 174.838 176.600 0.242 0.000 1.010 530 K CA -0.996 55.430 56.287 0.231 0.000 0.889 530 K CB 0.964 33.578 32.500 0.190 0.000 1.514 530 K HN 0.034 nan 8.250 nan 0.000 0.424 531 L N 1.769 123.146 121.223 0.256 0.000 2.342 531 L HA 0.473 4.811 4.340 -0.003 0.000 0.276 531 L C -0.257 176.851 176.870 0.397 0.000 0.997 531 L CA -0.738 54.249 54.840 0.246 0.000 0.838 531 L CB 1.647 43.694 42.059 -0.021 0.000 1.224 531 L HN 0.526 nan 8.230 nan 0.000 0.416 532 R N 1.425 122.156 120.500 0.385 0.000 2.486 532 R HA 0.278 4.616 4.340 -0.003 0.000 0.286 532 R C -0.733 175.755 176.300 0.313 0.000 0.999 532 R CA -0.790 55.504 56.100 0.323 0.000 0.993 532 R CB 1.158 31.559 30.300 0.169 0.000 1.084 532 R HN 0.509 nan 8.270 nan 0.000 0.487 533 H N 3.370 122.381 119.070 -0.099 0.000 2.864 533 H HA 0.144 4.699 4.556 -0.002 0.000 0.281 533 H C -0.474 174.671 175.328 -0.305 0.000 1.093 533 H CA -0.171 55.520 56.048 -0.594 0.000 1.453 533 H CB 0.351 29.682 29.762 -0.719 0.000 1.462 533 H HN 0.264 nan 8.280 nan 0.000 0.480 534 V N 5.532 125.221 119.914 -0.373 0.000 2.752 534 V HA 0.062 4.180 4.120 -0.003 0.000 0.306 534 V C 1.644 177.445 176.094 -0.489 0.000 1.099 534 V CA 1.776 63.881 62.300 -0.324 0.000 1.240 534 V CB 0.378 32.091 31.823 -0.185 0.000 0.887 534 V HN 1.181 nan 8.190 nan 0.000 0.499 535 G N 3.460 112.091 108.800 -0.282 0.000 2.148 535 G HA2 -0.213 3.745 3.960 -0.003 0.000 0.254 535 G HA3 -0.213 3.745 3.960 -0.003 0.000 0.254 535 G C 0.198 174.949 174.900 -0.248 0.000 0.981 535 G CA 0.734 45.688 45.100 -0.244 0.000 0.670 535 G HN 1.559 nan 8.290 nan 0.000 0.528 536 S N -1.230 114.317 115.700 -0.256 0.000 2.840 536 S HA 0.710 5.178 4.470 -0.003 0.000 0.307 536 S C 0.082 174.635 174.600 -0.078 0.000 1.180 536 S CA 0.138 58.243 58.200 -0.159 0.000 0.846 536 S CB 1.528 64.629 63.200 -0.165 0.000 1.233 536 S HN 0.865 nan 8.310 nan 0.000 0.548 537 N N 0.347 119.031 118.700 -0.027 0.000 2.497 537 N HA 0.262 5.001 4.740 -0.003 0.000 0.284 537 N C -1.047 174.486 175.510 0.039 0.000 1.459 537 N CA -0.307 52.747 53.050 0.007 0.000 0.899 537 N CB -0.183 38.308 38.487 0.006 0.000 1.316 537 N HN 0.564 nan 8.380 nan 0.000 0.500 538 L N 0.410 121.666 121.223 0.055 0.000 2.309 538 L HA 0.548 4.886 4.340 -0.003 0.000 0.282 538 L C -0.345 176.624 176.870 0.164 0.000 1.036 538 L CA -0.718 54.181 54.840 0.099 0.000 0.806 538 L CB 1.759 43.878 42.059 0.101 0.000 1.220 538 L HN 0.040 nan 8.230 nan 0.000 0.429 539 c N 2.621 121.335 118.600 0.190 0.000 2.614 539 c HA 0.485 5.053 4.570 -0.003 0.000 0.320 539 c C -0.001 174.262 174.090 0.288 0.000 1.200 539 c CA -0.860 55.629 56.329 0.267 0.000 1.700 539 c CB 1.914 44.549 42.510 0.208 0.000 2.275 539 c HN 0.626 nan 8.230 nan 0.000 0.492 540 L N 3.432 124.835 121.223 0.299 0.000 2.462 540 L HA 0.343 4.681 4.340 -0.003 0.000 0.272 540 L C -0.140 176.926 176.870 0.327 0.000 1.166 540 L CA 1.483 56.389 54.840 0.111 0.000 0.880 540 L CB -0.029 41.756 42.059 -0.456 0.000 1.142 540 L HN 0.628 nan 8.230 nan 0.000 0.473 541 D N 2.040 122.590 120.400 0.250 0.000 2.671 541 D HA 0.291 4.929 4.640 -0.003 0.000 0.232 541 D C -0.071 176.368 176.300 0.232 0.000 1.114 541 D CA -0.347 53.811 54.000 0.264 0.000 0.858 541 D CB 2.465 43.353 40.800 0.146 0.000 1.544 541 D HN 0.597 nan 8.370 nan 0.000 0.471 542 S N 1.547 117.357 115.700 0.185 0.000 2.470 542 S HA -0.021 4.447 4.470 -0.003 0.000 0.222 542 S C 1.711 176.334 174.600 0.039 0.000 1.024 542 S CA -0.046 58.222 58.200 0.113 0.000 0.931 542 S CB 0.161 63.367 63.200 0.009 0.000 0.791 542 S HN 0.515 nan 8.310 nan 0.000 0.513 543 R N 1.325 121.839 120.500 0.023 0.000 2.265 543 R HA -0.259 4.079 4.340 -0.003 0.000 0.256 543 R C 1.782 178.086 176.300 0.006 0.000 1.120 543 R CA 2.350 58.454 56.100 0.007 0.000 0.956 543 R CB -0.984 29.325 30.300 0.015 0.000 0.925 543 R HN 0.561 nan 8.270 nan 0.000 0.448 544 T N -2.715 111.848 114.554 0.016 0.000 3.129 544 T HA 0.304 4.652 4.350 -0.003 0.000 0.251 544 T C 1.656 176.356 174.700 0.001 0.000 1.117 544 T CA 0.487 62.591 62.100 0.008 0.000 1.034 544 T CB 0.324 69.199 68.868 0.012 0.000 0.968 544 T HN 0.396 nan 8.240 nan 0.000 0.526 545 A N 2.923 125.743 122.820 0.001 0.000 1.915 545 A HA -0.188 4.130 4.320 -0.003 0.000 0.220 545 A C 2.346 179.915 177.584 -0.026 0.000 1.198 545 A CA 1.482 53.511 52.037 -0.013 0.000 0.647 545 A CB -0.492 18.497 19.000 -0.017 0.000 0.825 545 A HN 0.441 nan 8.150 nan 0.000 0.456 546 K N -0.194 120.191 120.400 -0.025 0.000 2.486 546 K HA 0.110 4.428 4.320 -0.003 0.000 0.194 546 K C 1.049 177.639 176.600 -0.018 0.000 1.033 546 K CA 0.733 57.004 56.287 -0.026 0.000 1.004 546 K CB 0.106 32.591 32.500 -0.025 0.000 0.798 546 K HN 0.386 nan 8.250 nan 0.000 0.495 547 S N -0.500 115.192 115.700 -0.013 0.000 2.554 547 S HA 0.198 4.666 4.470 -0.003 0.000 0.226 547 S C 0.932 175.527 174.600 -0.009 0.000 0.980 547 S CA 0.436 58.630 58.200 -0.009 0.000 0.939 547 S CB 0.967 64.163 63.200 -0.006 0.000 0.832 547 S HN 0.553 nan 8.310 nan 0.000 0.486 548 G N 0.257 109.051 108.800 -0.010 0.000 2.559 548 G HA2 0.325 4.283 3.960 -0.003 0.000 0.202 548 G HA3 0.325 4.283 3.960 -0.003 0.000 0.202 548 G C 0.326 175.223 174.900 -0.006 0.000 0.992 548 G CA -0.167 44.928 45.100 -0.009 0.000 0.764 548 G HN 1.046 nan 8.290 nan 0.000 0.525 549 G N -0.769 108.026 108.800 -0.008 0.000 2.408 549 G HA2 0.268 4.226 3.960 -0.003 0.000 0.682 549 G HA3 0.268 4.226 3.960 -0.003 0.000 0.682 549 G C -0.189 174.707 174.900 -0.007 0.000 1.303 549 G CA -0.467 44.627 45.100 -0.010 0.000 0.966 549 G HN 1.014 nan 8.290 nan 0.000 0.560 550 L N 0.719 121.928 121.223 -0.022 0.000 2.483 550 L HA 0.488 4.826 4.340 -0.003 0.000 0.276 550 L C 1.275 178.137 176.870 -0.015 0.000 1.213 550 L CA 0.589 55.417 54.840 -0.019 0.000 0.843 550 L CB 0.716 42.707 42.059 -0.113 0.000 1.107 550 L HN 1.102 nan 8.230 nan 0.000 0.487 551 S N 1.047 116.758 115.700 0.019 0.000 2.756 551 S HA 0.597 5.065 4.470 -0.003 0.000 0.292 551 S C -0.926 173.718 174.600 0.073 0.000 1.175 551 S CA -0.861 57.360 58.200 0.035 0.000 0.833 551 S CB 1.963 65.183 63.200 0.034 0.000 1.184 551 S HN 0.310 nan 8.310 nan 0.000 0.506 552 V N 1.130 121.093 119.914 0.082 0.000 2.370 552 V HA 0.706 4.824 4.120 -0.003 0.000 0.283 552 V C -0.769 175.379 176.094 0.089 0.000 1.023 552 V CA -0.112 62.259 62.300 0.118 0.000 0.857 552 V CB 1.099 32.981 31.823 0.098 0.000 0.985 552 V HN 0.976 nan 8.190 nan 0.000 0.443 553 E N 3.161 123.423 120.200 0.104 0.000 2.316 553 E HA 0.534 4.882 4.350 -0.003 0.000 0.258 553 E C -1.016 175.632 176.600 0.080 0.000 0.952 553 E CA -0.456 55.991 56.400 0.078 0.000 0.818 553 E CB 2.141 31.886 29.700 0.075 0.000 1.260 553 E HN 0.565 nan 8.360 nan 0.000 0.416 554 V N 1.924 121.873 119.914 0.059 0.000 2.508 554 V HA 0.174 4.292 4.120 -0.003 0.000 0.281 554 V C -0.357 175.772 176.094 0.060 0.000 1.041 554 V CA -0.712 61.620 62.300 0.053 0.000 1.016 554 V CB -0.101 31.744 31.823 0.035 0.000 0.984 554 V HN 0.762 nan 8.190 nan 0.000 0.478 555 c N 6.588 125.230 118.600 0.068 0.000 2.465 555 c HA 0.525 5.093 4.570 -0.003 0.000 0.402 555 c C 1.129 175.250 174.090 0.051 0.000 1.448 555 c CA 0.668 57.041 56.329 0.073 0.000 1.589 555 c CB -1.755 40.800 42.510 0.076 0.000 2.535 555 c HN 1.273 nan 8.230 nan 0.000 0.600 556 G N 3.769 112.598 108.800 0.049 0.000 2.619 556 G HA2 0.619 4.577 3.960 -0.003 0.000 0.305 556 G HA3 0.619 4.577 3.960 -0.003 0.000 0.305 556 G C -2.162 172.752 174.900 0.023 0.000 1.330 556 G CA -0.363 44.756 45.100 0.031 0.000 0.789 556 G HN 0.270 nan 8.290 nan 0.000 0.487 557 P HA 0.066 nan 4.420 nan 0.000 0.220 557 P C 1.134 178.428 177.300 -0.011 0.000 1.148 557 P CA 1.235 64.336 63.100 0.001 0.000 0.803 557 P CB -0.045 31.655 31.700 -0.001 0.000 0.782 558 A N 0.192 123.006 122.820 -0.010 0.000 2.616 558 A HA -0.073 4.245 4.320 -0.003 0.000 0.234 558 A C 1.125 178.677 177.584 -0.054 0.000 1.024 558 A CA 0.157 52.178 52.037 -0.026 0.000 0.758 558 A CB -0.310 18.681 19.000 -0.014 0.000 0.939 558 A HN 0.035 nan 8.150 nan 0.000 0.510 559 L N 2.782 123.958 121.223 -0.078 0.000 2.395 559 L HA -0.064 4.274 4.340 -0.003 0.000 0.218 559 L C 2.530 179.278 176.870 -0.204 0.000 1.130 559 L CA 2.079 56.843 54.840 -0.126 0.000 0.826 559 L CB -0.523 41.467 42.059 -0.115 0.000 0.941 559 L HN 0.864 nan 8.230 nan 0.000 0.451 560 S N -1.702 113.900 115.700 -0.164 0.000 2.660 560 S HA -0.044 4.424 4.470 -0.003 0.000 0.223 560 S C 1.375 175.853 174.600 -0.203 0.000 0.963 560 S CA 0.230 58.306 58.200 -0.207 0.000 0.932 560 S CB -0.254 62.889 63.200 -0.094 0.000 0.775 560 S HN 0.559 nan 8.310 nan 0.000 0.531 561 Q N 0.076 119.775 119.800 -0.169 0.000 2.217 561 Q HA 0.225 4.563 4.340 -0.003 0.000 0.217 561 Q C -0.404 175.503 176.000 -0.154 0.000 0.844 561 Q CA -0.074 55.713 55.803 -0.025 0.000 0.957 561 Q CB 0.389 29.165 28.738 0.063 0.000 1.127 561 Q HN 0.492 nan 8.270 nan 0.000 0.503 562 Q N 0.092 119.638 119.800 -0.425 0.000 2.294 562 Q HA 0.191 4.529 4.340 -0.003 0.000 0.257 562 Q C -1.081 174.498 176.000 -0.702 0.000 0.955 562 Q CA 0.500 56.079 55.803 -0.373 0.000 0.936 562 Q CB 0.488 29.059 28.738 -0.278 0.000 1.188 562 Q HN 0.122 nan 8.270 nan 0.000 0.420 563 W N 1.727 122.974 121.300 -0.089 0.000 3.022 563 W HA 0.462 5.119 4.660 -0.004 0.000 0.335 563 W C 0.151 176.591 176.519 -0.132 0.000 1.133 563 W CA -0.713 56.533 57.345 -0.164 0.000 1.219 563 W CB 1.890 31.202 29.460 -0.247 0.000 1.409 563 W HN 0.083 nan 8.180 nan 0.000 0.507 564 K N 2.718 123.154 120.400 0.061 0.000 2.507 564 K HA 0.411 4.729 4.320 -0.003 0.000 0.251 564 K C -1.395 175.198 176.600 -0.013 0.000 0.943 564 K CA -0.870 55.452 56.287 0.058 0.000 0.794 564 K CB 1.876 34.408 32.500 0.053 0.000 1.188 564 K HN 0.363 nan 8.250 nan 0.000 0.428 565 F N 0.754 120.755 119.950 0.086 0.000 2.382 565 F HA 0.037 4.562 4.527 -0.003 0.000 0.331 565 F C 2.220 178.074 175.800 0.090 0.000 1.121 565 F CA 0.107 58.153 58.000 0.077 0.000 1.183 565 F CB 1.105 40.152 39.000 0.078 0.000 1.207 565 F HN 0.637 nan 8.300 nan 0.000 0.555 566 T N 0.178 114.891 114.554 0.266 0.000 2.788 566 T HA -0.072 4.276 4.350 -0.003 0.000 0.268 566 T C 0.373 175.217 174.700 0.240 0.000 1.044 566 T CA 1.046 63.276 62.100 0.217 0.000 1.139 566 T CB -0.554 68.440 68.868 0.210 0.000 0.867 566 T HN 0.455 nan 8.240 nan 0.000 0.454 567 L N -1.020 120.369 121.223 0.277 0.000 2.422 567 L HA 0.834 5.172 4.340 -0.003 0.000 0.264 567 L C -2.139 174.843 176.870 0.187 0.000 0.984 567 L CA -1.341 53.633 54.840 0.223 0.000 0.819 567 L CB 2.024 44.212 42.059 0.214 0.000 1.330 567 L HN -0.190 nan 8.230 nan 0.000 0.410 568 N N 3.793 122.576 118.700 0.139 0.000 2.448 568 N HA 0.485 5.223 4.740 -0.003 0.000 0.279 568 N C -0.525 175.028 175.510 0.072 0.000 1.025 568 N CA -0.542 52.559 53.050 0.085 0.000 0.898 568 N CB 2.071 40.614 38.487 0.093 0.000 1.303 568 N HN 0.665 nan 8.380 nan 0.000 0.495 569 L N 1.072 122.326 121.223 0.052 0.000 2.873 569 L HA 0.345 4.683 4.340 -0.003 0.000 0.236 569 L C 0.146 177.027 176.870 0.019 0.000 1.375 569 L CA -0.042 54.828 54.840 0.051 0.000 1.239 569 L CB -0.831 41.265 42.059 0.063 0.000 1.603 569 L HN 0.404 nan 8.230 nan 0.000 0.430 570 Q N 0.000 119.813 119.800 0.022 0.000 2.315 570 Q HA 0.000 4.338 4.340 -0.003 0.000 0.214 570 Q CA 0.000 55.810 55.803 0.012 0.000 1.022 570 Q CB 0.000 28.744 28.738 0.011 0.000 1.108 570 Q HN 0.000 nan 8.270 nan 0.000 0.481