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 1h0g_1_A DATA FIRST_RESID 3 DATA SEQUENCE TRKAVIGYYF IPTNQINNYT ETDTSVVPFP VSNITPAKAK QLTHINFSFL DATA SEQUENCE DINSNLECAW DPATNDAKAR DVVNRLTALK AHNPSLRIMF SIGGWYYSND DATA SEQUENCE LGVSHANYVN AVKTPASRTK FAQSCVRIMK DYGFDGVDID WEYPQAAEVD DATA SEQUENCE GFIAALQEIR TLLNQQTITD GRQALPYQLT IAGAGGAFFL SRYYSKLAQI DATA SEQUENCE VAPLDYINLM TYDLAGPWEK VTNHQAALFG DAAGPTFYNA LREANLGWSW DATA SEQUENCE EELTRAFPSP FSLTVDAAVQ QHLMMEGVPS AKIVMGVPFY GRAFKGVSGG DATA SEQUENCE NGGQYSSHST PGEDPYPSTD YWLVGCEECV RDKDPRIASY RQLEQMLQGN DATA SEQUENCE YGYQRLWNDK TKTPYLYHAQ NGLFVTYDDA ESFKYKAKYI KQQQLGGVMF DATA SEQUENCE WHLGQDNRNG DLLAALDRYF NAADYDDSQL DMGTGLRYTG VGPGNLPIMT DATA SEQUENCE APAYVPGTTY AQGALVSYQG YVWQTKWGYI TSAPGSDSAW LKVGRV 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 3 T HA 0.000 nan 4.350 nan 0.000 0.228 3 T C 0.000 174.708 174.700 0.014 0.000 1.109 3 T CA 0.000 62.114 62.100 0.023 0.000 1.349 3 T CB 0.000 68.884 68.868 0.027 0.000 0.612 4 R N 2.555 123.067 120.500 0.021 0.000 2.489 4 R HA 0.270 4.610 4.340 -0.000 0.000 0.287 4 R C 0.164 176.440 176.300 -0.039 0.000 1.053 4 R CA -0.417 55.687 56.100 0.006 0.000 1.036 4 R CB 0.415 30.735 30.300 0.034 0.000 0.966 4 R HN 0.441 nan 8.270 nan 0.000 0.432 5 K N 2.523 122.826 120.400 -0.161 0.000 2.326 5 K HA 0.106 4.426 4.320 -0.000 0.000 0.275 5 K C -0.172 176.306 176.600 -0.202 0.000 1.018 5 K CA 0.003 56.087 56.287 -0.337 0.000 0.962 5 K CB 1.221 33.128 32.500 -0.988 0.000 0.953 5 K HN 0.704 nan 8.250 nan 0.000 0.475 6 A N 1.946 124.649 122.820 -0.196 0.000 2.407 6 A HA 0.348 4.668 4.320 -0.000 0.000 0.248 6 A C -0.303 177.243 177.584 -0.064 0.000 1.082 6 A CA -0.471 51.480 52.037 -0.143 0.000 0.785 6 A CB 0.490 19.183 19.000 -0.510 0.000 1.020 6 A HN 0.364 nan 8.150 nan 0.000 0.489 7 V N 4.008 123.962 119.914 0.068 0.000 2.439 7 V HA 0.256 4.376 4.120 -0.000 0.000 0.277 7 V C -0.629 175.522 176.094 0.094 0.000 1.008 7 V CA 0.071 62.470 62.300 0.166 0.000 0.846 7 V CB 0.742 32.725 31.823 0.268 0.000 1.031 7 V HN 0.705 nan 8.190 nan 0.000 0.441 8 I N 4.135 124.663 120.570 -0.070 0.000 2.330 8 I HA 0.574 4.744 4.170 -0.000 0.000 0.286 8 I C 0.872 176.623 176.117 -0.610 0.000 1.025 8 I CA -0.186 60.968 61.300 -0.243 0.000 1.197 8 I CB 1.569 39.373 38.000 -0.327 0.000 1.358 8 I HN 0.636 nan 8.210 nan 0.000 0.467 9 G N 5.503 113.893 108.800 -0.684 0.000 2.368 9 G HA2 0.453 4.413 3.960 -0.000 0.000 0.320 9 G HA3 0.453 4.413 3.960 -0.000 0.000 0.320 9 G C -1.068 173.529 174.900 -0.505 0.000 1.158 9 G CA -0.298 44.070 45.100 -1.220 0.000 0.912 9 G HN 0.334 nan 8.290 nan 0.000 0.456 10 Y N 0.993 121.015 120.300 -0.465 0.000 2.346 10 Y HA 0.279 4.829 4.550 -0.000 0.000 0.330 10 Y C -0.238 175.566 175.900 -0.160 0.000 1.178 10 Y CA 0.330 58.303 58.100 -0.210 0.000 1.331 10 Y CB 1.224 39.603 38.460 -0.135 0.000 1.253 10 Y HN 0.522 nan 8.280 nan 0.000 0.529 11 Y N 5.885 126.104 120.300 -0.134 0.000 2.426 11 Y HA 0.329 4.879 4.550 -0.000 0.000 0.325 11 Y C -1.700 173.991 175.900 -0.348 0.000 0.989 11 Y CA -1.759 56.265 58.100 -0.127 0.000 1.284 11 Y CB 0.163 38.647 38.460 0.040 0.000 1.104 11 Y HN 0.504 nan 8.280 nan 0.000 0.481 12 F N 8.010 127.308 119.950 -1.088 0.000 2.408 12 F HA 0.652 5.179 4.527 -0.000 0.000 0.344 12 F C -1.302 173.958 175.800 -0.900 0.000 1.112 12 F CA -1.185 56.190 58.000 -1.042 0.000 1.096 12 F CB 0.715 38.992 39.000 -1.206 0.000 1.129 12 F HN 0.445 nan 8.300 nan 0.000 0.486 13 I N 8.688 128.313 120.570 -1.575 0.000 2.534 13 I HA 0.428 4.598 4.170 -0.000 0.000 0.286 13 I C -2.686 172.859 176.117 -0.953 0.000 1.094 13 I CA -2.466 58.193 61.300 -1.068 0.000 1.055 13 I CB 1.889 39.613 38.000 -0.461 0.000 1.225 13 I HN 0.432 nan 8.210 nan 0.000 0.435 14 P HA 0.155 nan 4.420 nan 0.000 0.268 14 P C 0.514 177.788 177.300 -0.043 0.000 1.208 14 P CA -0.081 62.851 63.100 -0.281 0.000 0.777 14 P CB 0.652 32.308 31.700 -0.074 0.000 0.875 15 T N 0.423 115.034 114.554 0.094 0.000 2.759 15 T HA -0.197 4.153 4.350 -0.000 0.000 0.269 15 T C 1.617 176.388 174.700 0.120 0.000 1.042 15 T CA 1.922 64.118 62.100 0.160 0.000 1.140 15 T CB -0.734 68.264 68.868 0.216 0.000 0.864 15 T HN 0.517 nan 8.240 nan 0.000 0.455 16 N N 0.869 119.626 118.700 0.095 0.000 2.166 16 N HA -0.101 4.639 4.740 -0.000 0.000 0.186 16 N C 1.957 177.515 175.510 0.081 0.000 1.019 16 N CA 1.229 54.327 53.050 0.081 0.000 0.856 16 N CB -0.122 38.405 38.487 0.066 0.000 0.993 16 N HN 0.463 nan 8.380 nan 0.000 0.426 17 Q N -0.598 119.246 119.800 0.074 0.000 2.230 17 Q HA 0.031 4.371 4.340 -0.000 0.000 0.202 17 Q C 1.879 177.997 176.000 0.198 0.000 0.963 17 Q CA 0.746 56.611 55.803 0.103 0.000 0.866 17 Q CB 0.167 28.945 28.738 0.067 0.000 0.931 17 Q HN 0.517 nan 8.270 nan 0.000 0.452 18 I N 0.991 121.667 120.570 0.178 0.000 2.233 18 I HA -0.219 3.951 4.170 -0.000 0.000 0.243 18 I C 1.408 177.625 176.117 0.168 0.000 1.093 18 I CA 0.658 62.082 61.300 0.206 0.000 1.380 18 I CB -0.210 37.904 38.000 0.189 0.000 1.067 18 I HN 0.154 nan 8.210 nan 0.000 0.413 19 N N 1.224 119.998 118.700 0.124 0.000 2.573 19 N HA -0.100 4.640 4.740 -0.000 0.000 0.187 19 N C 0.545 176.111 175.510 0.094 0.000 1.107 19 N CA 0.854 53.958 53.050 0.091 0.000 0.918 19 N CB -0.270 38.263 38.487 0.077 0.000 0.966 19 N HN 0.445 nan 8.380 nan 0.000 0.448 20 N N -0.584 118.187 118.700 0.118 0.000 2.305 20 N HA -0.032 4.708 4.740 -0.000 0.000 0.248 20 N C -0.711 174.862 175.510 0.105 0.000 1.290 20 N CA -0.303 52.801 53.050 0.089 0.000 0.873 20 N CB 0.594 39.115 38.487 0.057 0.000 1.261 20 N HN 0.138 nan 8.380 nan 0.000 0.504 21 Y N 2.443 122.767 120.300 0.040 0.000 2.904 21 Y HA -0.029 4.521 4.550 -0.000 0.000 0.336 21 Y C 0.681 176.602 175.900 0.035 0.000 1.263 21 Y CA 1.091 59.221 58.100 0.049 0.000 1.547 21 Y CB 0.441 38.938 38.460 0.063 0.000 1.272 21 Y HN -0.075 nan 8.280 nan 0.000 0.596 22 T N 4.793 118.920 114.554 -0.712 0.000 2.885 22 T HA 0.304 4.654 4.350 -0.000 0.000 0.322 22 T C -0.688 173.648 174.700 -0.607 0.000 1.387 22 T CA -0.750 61.070 62.100 -0.466 0.000 1.041 22 T CB 1.136 69.881 68.868 -0.204 0.000 1.287 22 T HN 0.715 nan 8.240 nan 0.000 0.491 23 E N 1.767 121.770 120.200 -0.328 0.000 2.569 23 E HA 0.172 4.522 4.350 -0.000 0.000 0.205 23 E C 0.536 177.057 176.600 -0.132 0.000 1.006 23 E CA 0.023 56.287 56.400 -0.226 0.000 0.985 23 E CB 0.623 30.259 29.700 -0.106 0.000 1.060 23 E HN 0.731 nan 8.360 nan 0.000 0.460 24 T N -2.794 111.686 114.554 -0.124 0.000 3.144 24 T HA 0.099 4.449 4.350 -0.000 0.000 0.290 24 T C 0.040 174.702 174.700 -0.064 0.000 0.966 24 T CA -0.417 61.638 62.100 -0.076 0.000 0.907 24 T CB 0.460 69.294 68.868 -0.055 0.000 1.152 24 T HN -0.127 nan 8.240 nan 0.000 0.532 25 D N 2.095 122.449 120.400 -0.077 0.000 2.330 25 D HA 0.174 4.814 4.640 -0.000 0.000 0.249 25 D C 1.326 177.598 176.300 -0.047 0.000 1.306 25 D CA 0.043 54.011 54.000 -0.053 0.000 0.956 25 D CB 1.724 42.496 40.800 -0.047 0.000 1.261 25 D HN 0.215 nan 8.370 nan 0.000 0.544 26 T N -0.872 113.664 114.554 -0.030 0.000 2.918 26 T HA -0.215 4.135 4.350 -0.000 0.000 0.271 26 T C 1.778 176.476 174.700 -0.004 0.000 1.104 26 T CA 1.657 63.752 62.100 -0.009 0.000 1.114 26 T CB -0.117 68.755 68.868 0.006 0.000 0.855 26 T HN 0.237 nan 8.240 nan 0.000 0.518 27 S N 1.272 116.965 115.700 -0.012 0.000 2.453 27 S HA -0.036 4.433 4.470 -0.000 0.000 0.231 27 S C 2.038 176.633 174.600 -0.008 0.000 1.005 27 S CA 0.743 58.937 58.200 -0.010 0.000 0.949 27 S CB -0.645 62.548 63.200 -0.012 0.000 0.774 27 S HN 0.688 nan 8.310 nan 0.000 0.510 28 V N -1.346 118.560 119.914 -0.014 0.000 2.581 28 V HA 0.452 4.572 4.120 -0.000 0.000 0.240 28 V C 0.760 176.851 176.094 -0.005 0.000 1.054 28 V CA 0.015 62.309 62.300 -0.010 0.000 1.076 28 V CB -0.416 31.395 31.823 -0.019 0.000 0.748 28 V HN 0.310 nan 8.190 nan 0.000 0.474 29 V N 2.261 122.159 119.914 -0.027 0.000 2.305 29 V HA 0.395 4.515 4.120 -0.000 0.000 0.275 29 V C -1.827 174.281 176.094 0.022 0.000 1.020 29 V CA -0.972 61.322 62.300 -0.010 0.000 0.811 29 V CB 1.167 32.919 31.823 -0.119 0.000 1.031 29 V HN 0.236 nan 8.190 nan 0.000 0.439 30 P HA -0.079 nan 4.420 nan 0.000 0.217 30 P C 0.200 177.633 177.300 0.222 0.000 1.150 30 P CA 1.237 64.406 63.100 0.116 0.000 0.832 30 P CB 0.196 31.964 31.700 0.113 0.000 0.787 31 F N 0.618 120.620 119.950 0.087 0.000 2.769 31 F HA 0.393 4.920 4.527 -0.000 0.000 0.358 31 F C -2.651 173.311 175.800 0.270 0.000 1.285 31 F CA -2.874 55.222 58.000 0.160 0.000 1.199 31 F CB 0.925 40.038 39.000 0.189 0.000 1.558 31 F HN -0.193 nan 8.300 nan 0.000 0.583 32 P HA 0.060 nan 4.420 nan 0.000 0.274 32 P C 1.030 178.360 177.300 0.050 0.000 1.246 32 P CA -0.080 63.103 63.100 0.138 0.000 0.795 32 P CB 1.951 33.591 31.700 -0.100 0.000 1.006 33 V N 1.315 121.373 119.914 0.241 0.000 2.453 33 V HA -0.265 3.855 4.120 -0.000 0.000 0.252 33 V C 2.682 178.748 176.094 -0.046 0.000 1.068 33 V CA 2.734 65.045 62.300 0.019 0.000 1.070 33 V CB -1.823 30.008 31.823 0.013 0.000 0.664 33 V HN 0.734 nan 8.190 nan 0.000 0.461 34 S N 0.434 116.121 115.700 -0.021 0.000 2.419 34 S HA -0.247 4.223 4.470 -0.000 0.000 0.235 34 S C 1.727 176.255 174.600 -0.120 0.000 1.019 34 S CA 1.545 59.716 58.200 -0.048 0.000 0.982 34 S CB -0.686 62.493 63.200 -0.035 0.000 0.789 34 S HN 0.659 nan 8.310 nan 0.000 0.490 35 N N 1.481 120.015 118.700 -0.276 0.000 2.364 35 N HA 0.083 4.822 4.740 -0.000 0.000 0.183 35 N C 0.184 175.604 175.510 -0.150 0.000 1.022 35 N CA 0.667 53.501 53.050 -0.361 0.000 0.883 35 N CB -0.291 37.585 38.487 -1.019 0.000 0.965 35 N HN 0.532 nan 8.380 nan 0.000 0.438 36 I N 2.125 122.646 120.570 -0.081 0.000 2.278 36 I HA 0.003 4.173 4.170 -0.000 0.000 0.296 36 I C 1.012 177.144 176.117 0.026 0.000 1.121 36 I CA -0.321 61.016 61.300 0.063 0.000 1.267 36 I CB 0.333 38.389 38.000 0.093 0.000 1.447 36 I HN -0.050 nan 8.210 nan 0.000 0.509 37 T N 2.968 117.532 114.554 0.016 0.000 2.754 37 T HA 0.274 4.624 4.350 -0.000 0.000 0.286 37 T C -1.728 172.920 174.700 -0.086 0.000 0.997 37 T CA -1.555 60.520 62.100 -0.041 0.000 0.982 37 T CB 1.042 69.888 68.868 -0.038 0.000 1.027 37 T HN 0.198 nan 8.240 nan 0.000 0.529 38 P HA 0.021 nan 4.420 nan 0.000 0.218 38 P C 1.611 178.833 177.300 -0.130 0.000 1.149 38 P CA 1.404 64.259 63.100 -0.408 0.000 0.817 38 P CB -0.329 30.918 31.700 -0.755 0.000 0.785 39 A N 0.310 123.080 122.820 -0.084 0.000 1.877 39 A HA -0.228 4.092 4.320 -0.000 0.000 0.216 39 A C 2.057 179.654 177.584 0.022 0.000 1.186 39 A CA 1.841 53.866 52.037 -0.021 0.000 0.620 39 A CB -1.017 17.974 19.000 -0.015 0.000 0.822 39 A HN 0.156 nan 8.150 nan 0.000 0.443 40 K N -0.224 120.201 120.400 0.040 0.000 2.097 40 K HA 0.034 4.354 4.320 -0.000 0.000 0.205 40 K C 2.241 178.907 176.600 0.109 0.000 1.050 40 K CA 0.967 57.309 56.287 0.091 0.000 0.938 40 K CB -0.334 32.245 32.500 0.131 0.000 0.718 40 K HN 0.412 nan 8.250 nan 0.000 0.442 41 A N 2.147 125.021 122.820 0.090 0.000 1.978 41 A HA -0.206 4.114 4.320 -0.000 0.000 0.220 41 A C 1.816 179.462 177.584 0.103 0.000 1.170 41 A CA 1.561 53.663 52.037 0.109 0.000 0.636 41 A CB -0.293 18.782 19.000 0.126 0.000 0.810 41 A HN 0.226 nan 8.150 nan 0.000 0.448 42 K N -0.626 119.825 120.400 0.085 0.000 2.296 42 K HA -0.059 4.261 4.320 -0.000 0.000 0.200 42 K C 2.010 178.661 176.600 0.085 0.000 1.048 42 K CA 1.163 57.497 56.287 0.079 0.000 0.966 42 K CB -0.067 32.469 32.500 0.061 0.000 0.754 42 K HN 0.616 nan 8.250 nan 0.000 0.466 43 Q N 0.248 120.105 119.800 0.096 0.000 2.331 43 Q HA 0.061 4.401 4.340 -0.000 0.000 0.203 43 Q C 0.127 176.220 176.000 0.154 0.000 0.944 43 Q CA 0.379 56.249 55.803 0.111 0.000 0.892 43 Q CB 0.172 28.969 28.738 0.099 0.000 0.983 43 Q HN 0.212 nan 8.270 nan 0.000 0.482 44 L N -0.121 121.198 121.223 0.161 0.000 2.399 44 L HA 0.179 4.519 4.340 -0.000 0.000 0.265 44 L C 1.268 178.217 176.870 0.131 0.000 1.089 44 L CA -0.117 54.830 54.840 0.178 0.000 0.802 44 L CB 1.358 43.524 42.059 0.178 0.000 1.180 44 L HN 0.060 nan 8.230 nan 0.000 0.454 45 T N -3.730 110.912 114.554 0.147 0.000 2.978 45 T HA 0.239 4.589 4.350 -0.000 0.000 0.248 45 T C 0.220 174.906 174.700 -0.025 0.000 1.018 45 T CA 0.066 62.221 62.100 0.092 0.000 1.026 45 T CB 0.085 69.069 68.868 0.194 0.000 1.032 45 T HN 0.527 nan 8.240 nan 0.000 0.485 46 H N -0.442 118.629 119.070 0.002 0.000 2.894 46 H HA 0.680 5.236 4.556 -0.000 0.000 0.367 46 H C -1.356 173.940 175.328 -0.052 0.000 1.144 46 H CA -0.927 55.110 56.048 -0.017 0.000 1.180 46 H CB 1.685 31.413 29.762 -0.057 0.000 1.758 46 H HN 0.154 nan 8.280 nan 0.000 0.541 47 I N 2.340 122.973 120.570 0.105 0.000 2.410 47 I HA 0.215 4.385 4.170 -0.000 0.000 0.286 47 I C -0.549 175.587 176.117 0.030 0.000 1.009 47 I CA -0.793 60.537 61.300 0.049 0.000 1.111 47 I CB 1.193 39.257 38.000 0.106 0.000 1.262 47 I HN 0.488 nan 8.210 nan 0.000 0.443 48 N N 6.478 125.086 118.700 -0.154 0.000 2.521 48 N HA 0.175 4.915 4.740 -0.000 0.000 0.236 48 N C -0.567 174.898 175.510 -0.075 0.000 1.067 48 N CA -0.220 52.680 53.050 -0.250 0.000 0.939 48 N CB 0.317 38.308 38.487 -0.827 0.000 1.201 48 N HN 0.381 nan 8.380 nan 0.000 0.511 49 F N 1.895 121.839 119.950 -0.011 0.000 2.543 49 F HA 0.141 4.668 4.527 -0.000 0.000 0.375 49 F C 0.197 175.974 175.800 -0.037 0.000 1.075 49 F CA 0.352 58.411 58.000 0.098 0.000 1.225 49 F CB 0.393 39.535 39.000 0.237 0.000 1.099 49 F HN 0.193 nan 8.300 nan 0.000 0.561 50 S N 5.683 120.995 115.700 -0.646 0.000 2.548 50 S HA 0.683 5.153 4.470 -0.000 0.000 0.286 50 S C -1.416 172.920 174.600 -0.439 0.000 1.098 50 S CA -0.515 57.329 58.200 -0.593 0.000 0.930 50 S CB 1.475 64.056 63.200 -1.032 0.000 1.070 50 S HN 0.445 nan 8.310 nan 0.000 0.480 51 F N 1.127 121.194 119.950 0.195 0.000 2.577 51 F HA 0.688 5.215 4.527 -0.000 0.000 0.318 51 F C -0.370 175.591 175.800 0.269 0.000 1.065 51 F CA -0.797 57.388 58.000 0.308 0.000 0.929 51 F CB 1.172 40.448 39.000 0.460 0.000 1.237 51 F HN 0.327 nan 8.300 nan 0.000 0.468 52 L N 1.039 122.495 121.223 0.387 0.000 2.347 52 L HA 0.574 4.914 4.340 -0.000 0.000 0.268 52 L C -0.471 176.438 176.870 0.065 0.000 1.019 52 L CA -0.285 54.600 54.840 0.075 0.000 0.806 52 L CB 1.252 43.218 42.059 -0.156 0.000 1.339 52 L HN 0.557 nan 8.230 nan 0.000 0.463 53 D N -1.152 119.138 120.400 -0.183 0.000 2.758 53 D HA 0.562 5.202 4.640 -0.000 0.000 0.279 53 D C -1.415 174.730 176.300 -0.259 0.000 1.111 53 D CA -0.289 53.502 54.000 -0.349 0.000 1.109 53 D CB 1.557 41.843 40.800 -0.858 0.000 1.428 53 D HN 0.241 nan 8.370 nan 0.000 0.586 54 I N 2.132 122.444 120.570 -0.429 0.000 2.418 54 I HA 0.278 4.448 4.170 -0.000 0.000 0.287 54 I C -0.233 175.648 176.117 -0.393 0.000 1.008 54 I CA -0.902 60.107 61.300 -0.484 0.000 1.104 54 I CB 1.469 38.851 38.000 -1.030 0.000 1.264 54 I HN 0.319 nan 8.210 nan 0.000 0.438 55 N N 3.292 121.847 118.700 -0.242 0.000 2.418 55 N HA 0.124 4.863 4.740 -0.000 0.000 0.283 55 N C 0.915 176.321 175.510 -0.173 0.000 1.267 55 N CA -0.528 52.415 53.050 -0.179 0.000 0.975 55 N CB 0.340 38.767 38.487 -0.099 0.000 1.167 55 N HN 0.521 nan 8.380 nan 0.000 0.581 56 S N -1.867 113.761 115.700 -0.121 0.000 2.469 56 S HA -0.179 4.291 4.470 -0.000 0.000 0.238 56 S C 1.027 175.574 174.600 -0.089 0.000 0.998 56 S CA 0.832 58.969 58.200 -0.104 0.000 0.957 56 S CB -0.874 62.284 63.200 -0.069 0.000 0.764 56 S HN 0.762 nan 8.310 nan 0.000 0.514 57 N N 1.313 119.969 118.700 -0.075 0.000 2.370 57 N HA 0.053 4.793 4.740 -0.000 0.000 0.198 57 N C -0.373 175.101 175.510 -0.060 0.000 1.156 57 N CA 0.012 53.031 53.050 -0.052 0.000 0.839 57 N CB -0.224 38.247 38.487 -0.028 0.000 0.989 57 N HN 0.131 nan 8.380 nan 0.000 0.468 58 L N 0.537 121.693 121.223 -0.113 0.000 3.737 58 L HA -0.232 4.108 4.340 -0.000 0.000 0.418 58 L C -0.728 176.118 176.870 -0.040 0.000 1.216 58 L CA 1.480 56.227 54.840 -0.153 0.000 0.915 58 L CB -2.649 39.329 42.059 -0.135 0.000 1.834 58 L HN 0.412 nan 8.230 nan 0.000 0.943 59 E N -1.275 118.924 120.200 -0.002 0.000 2.299 59 E HA 0.426 4.776 4.350 -0.000 0.000 0.265 59 E C -0.165 176.501 176.600 0.109 0.000 0.911 59 E CA -0.797 55.677 56.400 0.123 0.000 0.789 59 E CB 2.593 32.327 29.700 0.057 0.000 1.246 59 E HN 0.260 nan 8.360 nan 0.000 0.427 60 C N 1.716 121.123 119.300 0.179 0.000 2.644 60 C HA 0.675 5.135 4.460 -0.000 0.000 0.417 60 C C -0.001 174.996 174.990 0.012 0.000 1.304 60 C CA 0.231 59.321 59.018 0.120 0.000 2.035 60 C CB -1.359 26.444 27.740 0.106 0.000 2.673 60 C HN 0.678 nan 8.230 nan 0.000 0.602 61 A N 4.685 127.475 122.820 -0.049 0.000 2.597 61 A HA 0.645 4.965 4.320 -0.000 0.000 0.292 61 A C -1.485 176.055 177.584 -0.073 0.000 1.057 61 A CA -0.670 51.352 52.037 -0.026 0.000 0.674 61 A CB 0.076 19.090 19.000 0.023 0.000 1.278 61 A HN 0.917 nan 8.150 nan 0.000 0.416 62 W N 1.068 122.334 121.300 -0.056 0.000 2.093 62 W HA 0.367 5.027 4.660 -0.000 0.000 0.352 62 W C 0.829 177.349 176.519 0.002 0.000 1.294 62 W CA 0.745 58.084 57.345 -0.010 0.000 1.290 62 W CB 0.434 29.885 29.460 -0.015 0.000 1.149 62 W HN 0.704 nan 8.180 nan 0.000 0.606 63 D N 1.994 122.586 120.400 0.320 0.000 2.488 63 D HA -0.054 4.586 4.640 -0.000 0.000 0.238 63 D C -1.354 175.074 176.300 0.213 0.000 1.138 63 D CA -0.694 53.446 54.000 0.233 0.000 0.873 63 D CB 1.364 42.393 40.800 0.382 0.000 1.183 63 D HN 0.007 nan 8.370 nan 0.000 0.458 64 P HA -0.111 nan 4.420 nan 0.000 0.217 64 P C 0.600 177.972 177.300 0.120 0.000 1.148 64 P CA 1.305 64.473 63.100 0.113 0.000 0.828 64 P CB 0.129 31.878 31.700 0.081 0.000 0.783 65 A N -1.642 121.267 122.820 0.149 0.000 2.238 65 A HA 0.068 4.388 4.320 -0.000 0.000 0.208 65 A C 0.851 178.512 177.584 0.128 0.000 1.177 65 A CA 0.510 52.626 52.037 0.132 0.000 0.804 65 A CB -1.149 17.940 19.000 0.149 0.000 0.823 65 A HN 0.114 nan 8.150 nan 0.000 0.482 66 T N 1.747 116.392 114.554 0.151 0.000 2.851 66 T HA 0.092 4.442 4.350 -0.000 0.000 0.298 66 T C 0.255 174.966 174.700 0.018 0.000 0.977 66 T CA -0.359 61.814 62.100 0.122 0.000 1.126 66 T CB 0.421 69.415 68.868 0.209 0.000 0.916 66 T HN 0.382 nan 8.240 nan 0.000 0.529 67 N N 2.617 121.312 118.700 -0.009 0.000 2.415 67 N HA -0.002 4.738 4.740 -0.000 0.000 0.250 67 N C 0.744 176.168 175.510 -0.143 0.000 1.127 67 N CA -0.133 52.889 53.050 -0.047 0.000 0.945 67 N CB 0.946 39.422 38.487 -0.017 0.000 1.196 67 N HN 0.627 nan 8.380 nan 0.000 0.499 68 D N 3.674 123.968 120.400 -0.176 0.000 2.158 68 D HA -0.163 4.477 4.640 -0.000 0.000 0.197 68 D C 1.646 177.808 176.300 -0.229 0.000 0.995 68 D CA 1.811 55.646 54.000 -0.276 0.000 0.846 68 D CB 0.312 41.004 40.800 -0.181 0.000 0.941 68 D HN 0.649 nan 8.370 nan 0.000 0.456 69 A N 0.317 123.048 122.820 -0.147 0.000 1.902 69 A HA -0.168 4.152 4.320 -0.000 0.000 0.217 69 A C 2.114 179.623 177.584 -0.125 0.000 1.181 69 A CA 1.294 53.256 52.037 -0.124 0.000 0.623 69 A CB -0.349 18.602 19.000 -0.082 0.000 0.818 69 A HN 0.081 nan 8.150 nan 0.000 0.443 70 K N 0.012 120.349 120.400 -0.105 0.000 2.057 70 K HA -0.037 4.283 4.320 -0.000 0.000 0.206 70 K C 2.310 178.820 176.600 -0.150 0.000 1.050 70 K CA 1.284 57.523 56.287 -0.079 0.000 0.935 70 K CB -0.882 31.610 32.500 -0.013 0.000 0.715 70 K HN 0.433 nan 8.250 nan 0.000 0.439 71 A N 2.011 124.687 122.820 -0.239 0.000 1.892 71 A HA -0.217 4.103 4.320 -0.000 0.000 0.218 71 A C 2.286 179.681 177.584 -0.314 0.000 1.188 71 A CA 1.713 53.517 52.037 -0.388 0.000 0.631 71 A CB -0.522 17.846 19.000 -1.055 0.000 0.822 71 A HN 0.282 nan 8.150 nan 0.000 0.447 72 R N -0.853 119.495 120.500 -0.253 0.000 2.105 72 R HA -0.174 4.166 4.340 -0.000 0.000 0.239 72 R C 2.016 178.212 176.300 -0.173 0.000 1.135 72 R CA 1.644 57.648 56.100 -0.160 0.000 0.967 72 R CB -0.431 29.758 30.300 -0.185 0.000 0.861 72 R HN 0.718 nan 8.270 nan 0.000 0.442 73 D N -0.044 120.256 120.400 -0.166 0.000 2.144 73 D HA -0.106 4.534 4.640 -0.000 0.000 0.200 73 D C 1.712 177.893 176.300 -0.199 0.000 0.978 73 D CA 0.790 54.701 54.000 -0.149 0.000 0.833 73 D CB 0.242 40.980 40.800 -0.104 0.000 0.961 73 D HN -0.061 nan 8.370 nan 0.000 0.470 74 V N -0.156 119.597 119.914 -0.267 0.000 2.307 74 V HA -0.194 3.926 4.120 -0.000 0.000 0.245 74 V C 2.609 178.581 176.094 -0.203 0.000 1.045 74 V CA 1.275 63.371 62.300 -0.339 0.000 1.024 74 V CB -0.397 31.256 31.823 -0.283 0.000 0.651 74 V HN 0.160 nan 8.190 nan 0.000 0.449 75 V N 0.897 120.673 119.914 -0.230 0.000 2.332 75 V HA -0.268 3.852 4.120 -0.000 0.000 0.248 75 V C 2.333 178.295 176.094 -0.220 0.000 1.055 75 V CA 2.201 64.326 62.300 -0.291 0.000 1.038 75 V CB -0.948 30.620 31.823 -0.425 0.000 0.651 75 V HN 0.579 nan 8.190 nan 0.000 0.450 76 N N 0.271 118.856 118.700 -0.192 0.000 2.166 76 N HA -0.145 4.595 4.740 -0.000 0.000 0.186 76 N C 1.945 177.391 175.510 -0.107 0.000 1.019 76 N CA 1.287 54.248 53.050 -0.148 0.000 0.856 76 N CB -0.377 38.031 38.487 -0.132 0.000 0.993 76 N HN 0.499 nan 8.380 nan 0.000 0.426 77 R N 0.334 120.773 120.500 -0.103 0.000 2.092 77 R HA 0.048 4.388 4.340 -0.000 0.000 0.231 77 R C 2.218 178.485 176.300 -0.055 0.000 1.119 77 R CA 0.684 56.746 56.100 -0.062 0.000 0.970 77 R CB -0.312 29.957 30.300 -0.052 0.000 0.864 77 R HN 0.201 nan 8.270 nan 0.000 0.440 78 L N 0.120 121.299 121.223 -0.073 0.000 2.005 78 L HA -0.166 4.174 4.340 -0.000 0.000 0.207 78 L C 2.674 179.532 176.870 -0.021 0.000 1.072 78 L CA 1.813 56.626 54.840 -0.046 0.000 0.744 78 L CB -0.800 41.250 42.059 -0.016 0.000 0.895 78 L HN 0.370 nan 8.230 nan 0.000 0.433 79 T N -2.618 111.909 114.554 -0.045 0.000 2.929 79 T HA -0.121 4.229 4.350 -0.000 0.000 0.271 79 T C 1.837 176.513 174.700 -0.040 0.000 1.085 79 T CA 0.843 62.922 62.100 -0.036 0.000 1.125 79 T CB -0.389 68.436 68.868 -0.071 0.000 0.874 79 T HN 0.318 nan 8.240 nan 0.000 0.494 80 A N 1.638 124.430 122.820 -0.047 0.000 2.019 80 A HA 0.161 4.480 4.320 -0.000 0.000 0.219 80 A C 2.329 179.883 177.584 -0.051 0.000 1.164 80 A CA 1.071 53.076 52.037 -0.053 0.000 0.644 80 A CB -0.887 18.090 19.000 -0.039 0.000 0.805 80 A HN 0.591 nan 8.150 nan 0.000 0.449 81 L N -0.866 120.358 121.223 0.002 0.000 2.353 81 L HA -0.148 4.192 4.340 -0.000 0.000 0.220 81 L C 2.216 179.101 176.870 0.024 0.000 1.133 81 L CA 1.057 55.937 54.840 0.067 0.000 0.798 81 L CB -0.360 41.753 42.059 0.089 0.000 0.922 81 L HN 0.350 nan 8.230 nan 0.000 0.445 82 K N 0.199 120.588 120.400 -0.019 0.000 2.360 82 K HA -0.103 4.217 4.320 -0.000 0.000 0.201 82 K C 2.161 178.719 176.600 -0.070 0.000 1.046 82 K CA 0.925 57.197 56.287 -0.026 0.000 0.945 82 K CB -0.093 32.392 32.500 -0.025 0.000 0.750 82 K HN 0.311 nan 8.250 nan 0.000 0.464 83 A N 1.026 123.746 122.820 -0.167 0.000 1.969 83 A HA -0.160 4.160 4.320 -0.000 0.000 0.218 83 A C 1.518 178.958 177.584 -0.239 0.000 1.169 83 A CA 1.199 53.087 52.037 -0.248 0.000 0.635 83 A CB -0.418 18.351 19.000 -0.384 0.000 0.810 83 A HN 0.282 nan 8.150 nan 0.000 0.445 84 H N -1.581 117.492 119.070 0.004 0.000 2.551 84 H HA 0.090 4.646 4.556 -0.000 0.000 0.266 84 H C -0.134 175.202 175.328 0.013 0.000 0.964 84 H CA 0.859 56.913 56.048 0.010 0.000 1.180 84 H CB 0.185 29.956 29.762 0.015 0.000 1.408 84 H HN 0.464 nan 8.280 nan 0.000 0.563 85 N N 0.723 119.481 118.700 0.096 0.000 2.621 85 N HA 0.072 4.812 4.740 -0.000 0.000 0.271 85 N C -2.161 173.362 175.510 0.022 0.000 1.181 85 N CA -1.632 51.456 53.050 0.063 0.000 0.805 85 N CB 1.603 40.134 38.487 0.074 0.000 1.351 85 N HN -0.118 nan 8.380 nan 0.000 0.539 86 P HA -0.057 nan 4.420 nan 0.000 0.221 86 P C 0.501 177.790 177.300 -0.018 0.000 1.145 86 P CA 0.893 63.988 63.100 -0.009 0.000 0.795 86 P CB 0.505 32.201 31.700 -0.006 0.000 0.775 87 S N -0.794 114.898 115.700 -0.013 0.000 2.548 87 S HA 0.084 4.554 4.470 -0.000 0.000 0.215 87 S C 0.837 175.398 174.600 -0.066 0.000 0.976 87 S CA -0.435 57.746 58.200 -0.032 0.000 0.908 87 S CB -0.522 62.670 63.200 -0.012 0.000 0.781 87 S HN 0.074 nan 8.310 nan 0.000 0.519 88 L N 3.177 124.377 121.223 -0.039 0.000 2.453 88 L HA 0.267 4.607 4.340 -0.000 0.000 0.272 88 L C -0.005 176.824 176.870 -0.068 0.000 1.182 88 L CA 0.478 55.289 54.840 -0.048 0.000 0.858 88 L CB 0.286 42.351 42.059 0.010 0.000 1.120 88 L HN -0.001 nan 8.230 nan 0.000 0.474 89 R N 5.776 126.207 120.500 -0.115 0.000 2.534 89 R HA 0.537 4.877 4.340 -0.000 0.000 0.301 89 R C -1.169 175.172 176.300 0.068 0.000 0.961 89 R CA -0.929 55.143 56.100 -0.046 0.000 0.871 89 R CB 1.653 31.872 30.300 -0.134 0.000 1.170 89 R HN 0.496 nan 8.270 nan 0.000 0.446 90 I N 4.931 125.595 120.570 0.157 0.000 2.307 90 I HA 0.239 4.409 4.170 -0.000 0.000 0.287 90 I C 0.328 176.670 176.117 0.375 0.000 1.054 90 I CA -0.248 61.205 61.300 0.255 0.000 1.218 90 I CB 0.642 38.806 38.000 0.273 0.000 1.398 90 I HN 0.513 nan 8.210 nan 0.000 0.475 91 M N 6.150 125.895 119.600 0.242 0.000 2.267 91 M HA 0.468 4.948 4.480 -0.000 0.000 0.303 91 M C -0.290 175.988 176.300 -0.037 0.000 1.164 91 M CA -0.441 54.934 55.300 0.125 0.000 1.060 91 M CB 1.152 33.763 32.600 0.018 0.000 1.455 91 M HN 0.377 nan 8.290 nan 0.000 0.483 92 F N -1.220 118.452 119.950 -0.463 0.000 2.551 92 F HA 0.742 5.268 4.527 -0.000 0.000 0.316 92 F C -0.779 174.865 175.800 -0.259 0.000 1.089 92 F CA -0.943 56.669 58.000 -0.647 0.000 0.915 92 F CB 1.055 39.122 39.000 -1.556 0.000 1.186 92 F HN 0.398 nan 8.300 nan 0.000 0.456 93 S N 4.034 119.691 115.700 -0.072 0.000 2.451 93 S HA 0.672 5.142 4.470 -0.000 0.000 0.301 93 S C -0.440 174.341 174.600 0.302 0.000 1.116 93 S CA -0.613 57.636 58.200 0.080 0.000 1.093 93 S CB 1.059 64.433 63.200 0.290 0.000 1.017 93 S HN 0.575 nan 8.310 nan 0.000 0.482 94 I N 2.950 123.670 120.570 0.250 0.000 2.339 94 I HA 0.659 4.829 4.170 -0.000 0.000 0.290 94 I C 0.920 177.243 176.117 0.344 0.000 0.994 94 I CA -0.055 61.427 61.300 0.303 0.000 1.191 94 I CB 0.992 39.135 38.000 0.237 0.000 1.343 94 I HN 0.917 nan 8.210 nan 0.000 0.458 95 G N 4.186 113.180 108.800 0.323 0.000 2.390 95 G HA2 0.346 4.306 3.960 -0.000 0.000 0.202 95 G HA3 0.346 4.306 3.960 -0.000 0.000 0.202 95 G C -0.016 174.600 174.900 -0.474 0.000 1.210 95 G CA 0.072 45.201 45.100 0.047 0.000 1.271 95 G HN 1.497 nan 8.290 nan 0.000 0.543 96 G N -2.017 106.273 108.800 -0.849 0.000 2.655 96 G HA2 0.090 4.050 3.960 -0.000 0.000 0.680 96 G HA3 0.090 4.050 3.960 -0.000 0.000 0.680 96 G C 0.699 175.198 174.900 -0.669 0.000 1.302 96 G CA 0.520 44.799 45.100 -1.368 0.000 0.872 96 G HN 1.870 nan 8.290 nan 0.000 0.540 97 W N -0.123 120.780 121.300 -0.661 0.000 2.380 97 W HA -0.094 4.566 4.660 -0.000 0.000 0.317 97 W C 2.182 178.524 176.519 -0.295 0.000 1.196 97 W CA 2.323 59.403 57.345 -0.441 0.000 1.307 97 W CB -0.508 28.730 29.460 -0.369 0.000 1.157 97 W HN 0.701 nan 8.180 nan 0.000 0.483 98 Y N 0.282 120.377 120.300 -0.342 0.000 2.151 98 Y HA -0.414 4.136 4.550 -0.000 0.000 0.284 98 Y C 2.463 178.137 175.900 -0.378 0.000 1.166 98 Y CA 2.623 60.508 58.100 -0.358 0.000 1.163 98 Y CB -0.867 37.376 38.460 -0.363 0.000 0.974 98 Y HN -0.122 nan 8.280 nan 0.000 0.511 99 Y N -0.487 119.563 120.300 -0.417 0.000 2.206 99 Y HA -0.115 4.435 4.550 -0.000 0.000 0.292 99 Y C 2.880 178.448 175.900 -0.552 0.000 1.123 99 Y CA 1.147 58.956 58.100 -0.484 0.000 1.142 99 Y CB -0.869 37.424 38.460 -0.279 0.000 1.006 99 Y HN 0.230 nan 8.280 nan 0.000 0.518 100 S N -0.133 115.212 115.700 -0.592 0.000 2.524 100 S HA 0.073 4.543 4.470 -0.000 0.000 0.215 100 S C 0.398 174.653 174.600 -0.574 0.000 0.986 100 S CA -0.331 57.319 58.200 -0.916 0.000 0.911 100 S CB -1.205 61.175 63.200 -1.366 0.000 0.805 100 S HN 0.485 nan 8.310 nan 0.000 0.501 101 N N 1.667 119.904 118.700 -0.771 0.000 2.415 101 N HA 0.082 4.821 4.740 -0.000 0.000 0.248 101 N C 0.254 175.420 175.510 -0.573 0.000 1.271 101 N CA 0.049 52.555 53.050 -0.907 0.000 0.913 101 N CB 0.183 37.450 38.487 -2.033 0.000 1.129 101 N HN -0.177 nan 8.380 nan 0.000 0.444 102 D N 0.446 120.527 120.400 -0.533 0.000 2.200 102 D HA -0.191 4.449 4.640 -0.000 0.000 0.192 102 D C 0.965 176.884 176.300 -0.635 0.000 1.008 102 D CA 1.620 55.158 54.000 -0.770 0.000 0.872 102 D CB -0.134 40.445 40.800 -0.368 0.000 0.923 102 D HN 0.579 nan 8.370 nan 0.000 0.447 103 L N -0.440 120.546 121.223 -0.395 0.000 2.872 103 L HA 0.348 4.688 4.340 -0.000 0.000 0.245 103 L C 1.236 177.980 176.870 -0.210 0.000 1.211 103 L CA -0.544 54.155 54.840 -0.235 0.000 1.013 103 L CB 0.478 42.462 42.059 -0.125 0.000 1.326 103 L HN -0.134 nan 8.230 nan 0.000 0.525 104 G N 0.125 108.743 108.800 -0.302 0.000 2.537 104 G HA2 0.302 4.262 3.960 -0.000 0.000 0.273 104 G HA3 0.302 4.262 3.960 -0.000 0.000 0.273 104 G C 1.214 176.016 174.900 -0.163 0.000 1.189 104 G CA 0.033 44.969 45.100 -0.273 0.000 0.881 104 G HN 0.002 nan 8.290 nan 0.000 0.535 105 V N -1.606 118.191 119.914 -0.194 0.000 2.568 105 V HA -0.081 4.039 4.120 -0.000 0.000 0.253 105 V C 1.660 177.699 176.094 -0.091 0.000 1.072 105 V CA 2.304 64.519 62.300 -0.142 0.000 1.084 105 V CB -0.348 31.330 31.823 -0.243 0.000 0.676 105 V HN 0.431 nan 8.190 nan 0.000 0.469 106 S N -1.273 114.381 115.700 -0.077 0.000 2.749 106 S HA 0.229 4.699 4.470 -0.000 0.000 0.246 106 S C 1.374 175.991 174.600 0.029 0.000 1.023 106 S CA 0.119 58.303 58.200 -0.026 0.000 1.012 106 S CB -0.516 62.680 63.200 -0.006 0.000 0.942 106 S HN 0.795 nan 8.310 nan 0.000 0.531 107 H N 2.610 121.601 119.070 -0.133 0.000 2.362 107 H HA -0.218 4.338 4.556 -0.000 0.000 0.294 107 H C 2.133 177.408 175.328 -0.088 0.000 1.113 107 H CA 1.995 57.941 56.048 -0.171 0.000 1.253 107 H CB -0.118 29.539 29.762 -0.176 0.000 1.363 107 H HN 0.489 nan 8.280 nan 0.000 0.494 108 A N 0.972 123.740 122.820 -0.088 0.000 1.908 108 A HA -0.237 4.083 4.320 -0.000 0.000 0.218 108 A C 2.305 179.754 177.584 -0.226 0.000 1.181 108 A CA 1.770 53.729 52.037 -0.129 0.000 0.627 108 A CB -0.843 18.129 19.000 -0.047 0.000 0.818 108 A HN 0.729 nan 8.150 nan 0.000 0.445 109 N N -1.614 116.942 118.700 -0.241 0.000 2.149 109 N HA -0.220 4.520 4.740 -0.000 0.000 0.188 109 N C 1.581 176.732 175.510 -0.598 0.000 1.019 109 N CA 1.734 54.559 53.050 -0.374 0.000 0.857 109 N CB -0.371 37.866 38.487 -0.417 0.000 0.997 109 N HN 0.641 nan 8.380 nan 0.000 0.426 110 Y N 1.046 120.899 120.300 -0.746 0.000 2.133 110 Y HA -0.113 4.437 4.550 -0.000 0.000 0.287 110 Y C 2.517 177.883 175.900 -0.890 0.000 1.134 110 Y CA 0.626 58.041 58.100 -1.141 0.000 1.133 110 Y CB -0.713 36.568 38.460 -1.965 0.000 0.987 110 Y HN -0.146 nan 8.280 nan 0.000 0.502 111 V N 0.543 120.170 119.914 -0.479 0.000 2.332 111 V HA -0.344 3.776 4.120 -0.000 0.000 0.248 111 V C 1.713 177.757 176.094 -0.083 0.000 1.055 111 V CA 2.360 64.602 62.300 -0.096 0.000 1.038 111 V CB -0.796 30.981 31.823 -0.077 0.000 0.651 111 V HN 0.500 nan 8.190 nan 0.000 0.450 112 N N 0.210 118.809 118.700 -0.168 0.000 2.135 112 N HA -0.082 4.658 4.740 -0.000 0.000 0.186 112 N C 1.968 177.386 175.510 -0.154 0.000 1.027 112 N CA 1.059 54.030 53.050 -0.131 0.000 0.849 112 N CB -0.300 38.103 38.487 -0.140 0.000 1.002 112 N HN 0.462 nan 8.380 nan 0.000 0.425 113 A N 1.031 123.679 122.820 -0.286 0.000 2.024 113 A HA -0.123 4.197 4.320 -0.000 0.000 0.220 113 A C 2.160 179.636 177.584 -0.180 0.000 1.164 113 A CA 1.613 53.453 52.037 -0.329 0.000 0.643 113 A CB -0.612 17.950 19.000 -0.730 0.000 0.806 113 A HN 0.287 nan 8.150 nan 0.000 0.451 114 V N -3.807 116.049 119.914 -0.097 0.000 3.647 114 V HA 0.202 4.322 4.120 -0.000 0.000 0.279 114 V C 1.706 177.842 176.094 0.071 0.000 1.314 114 V CA 1.110 63.444 62.300 0.057 0.000 1.125 114 V CB -0.370 31.585 31.823 0.220 0.000 0.907 114 V HN 0.376 nan 8.190 nan 0.000 0.434 115 K N 1.953 122.372 120.400 0.031 0.000 2.009 115 K HA -0.063 4.257 4.320 -0.000 0.000 0.210 115 K C 1.198 177.819 176.600 0.035 0.000 1.049 115 K CA 1.994 58.302 56.287 0.036 0.000 0.929 115 K CB -0.149 32.358 32.500 0.012 0.000 0.714 115 K HN 0.814 nan 8.250 nan 0.000 0.440 116 T N -3.856 110.714 114.554 0.026 0.000 2.930 116 T HA 0.315 4.665 4.350 -0.000 0.000 0.290 116 T C -2.375 172.344 174.700 0.032 0.000 1.052 116 T CA -2.104 60.012 62.100 0.027 0.000 1.017 116 T CB 1.765 70.643 68.868 0.017 0.000 1.137 116 T HN -0.235 nan 8.240 nan 0.000 0.511 117 P HA -0.033 nan 4.420 nan 0.000 0.216 117 P C 1.541 178.857 177.300 0.028 0.000 1.150 117 P CA 1.576 64.693 63.100 0.028 0.000 0.837 117 P CB -0.196 31.517 31.700 0.021 0.000 0.786 118 A N -0.206 122.628 122.820 0.023 0.000 1.897 118 A HA -0.140 4.180 4.320 -0.000 0.000 0.215 118 A C 2.367 179.968 177.584 0.028 0.000 1.181 118 A CA 2.034 54.084 52.037 0.021 0.000 0.620 118 A CB -1.531 17.477 19.000 0.013 0.000 0.821 118 A HN 0.316 nan 8.150 nan 0.000 0.443 119 S N 0.218 115.934 115.700 0.026 0.000 2.368 119 S HA -0.185 4.285 4.470 -0.000 0.000 0.224 119 S C 2.010 176.656 174.600 0.076 0.000 1.029 119 S CA 1.155 59.372 58.200 0.029 0.000 0.988 119 S CB -0.531 62.668 63.200 -0.002 0.000 0.838 119 S HN 0.594 nan 8.310 nan 0.000 0.462 120 R N 1.145 121.693 120.500 0.080 0.000 2.105 120 R HA -0.060 4.280 4.340 -0.000 0.000 0.239 120 R C 2.891 179.260 176.300 0.114 0.000 1.135 120 R CA 1.837 58.015 56.100 0.131 0.000 0.967 120 R CB -1.548 28.810 30.300 0.095 0.000 0.861 120 R HN 0.736 nan 8.270 nan 0.000 0.442 121 T N 1.033 115.624 114.554 0.062 0.000 2.777 121 T HA -0.187 4.163 4.350 -0.000 0.000 0.266 121 T C 1.871 176.587 174.700 0.027 0.000 1.040 121 T CA 1.576 63.694 62.100 0.030 0.000 1.141 121 T CB -0.172 68.707 68.868 0.017 0.000 0.868 121 T HN 0.142 nan 8.240 nan 0.000 0.444 122 K N -0.694 119.734 120.400 0.048 0.000 2.057 122 K HA -0.053 4.267 4.320 -0.000 0.000 0.207 122 K C 1.985 178.628 176.600 0.071 0.000 1.049 122 K CA 1.387 57.701 56.287 0.045 0.000 0.931 122 K CB -0.321 32.207 32.500 0.046 0.000 0.714 122 K HN 0.382 nan 8.250 nan 0.000 0.440 123 F N 1.386 121.310 119.950 -0.042 0.000 2.102 123 F HA -0.071 4.456 4.527 -0.000 0.000 0.298 123 F C 1.983 177.763 175.800 -0.034 0.000 1.105 123 F CA 1.341 59.308 58.000 -0.054 0.000 1.239 123 F CB -0.771 38.185 39.000 -0.074 0.000 0.991 123 F HN 0.098 nan 8.300 nan 0.000 0.474 124 A N 0.208 122.881 122.820 -0.244 0.000 1.908 124 A HA -0.257 4.063 4.320 -0.000 0.000 0.218 124 A C 2.141 179.575 177.584 -0.249 0.000 1.181 124 A CA 1.950 53.790 52.037 -0.329 0.000 0.627 124 A CB -0.955 17.966 19.000 -0.131 0.000 0.818 124 A HN 0.621 nan 8.150 nan 0.000 0.445 125 Q N 0.103 119.820 119.800 -0.138 0.000 2.084 125 Q HA -0.162 4.178 4.340 -0.000 0.000 0.202 125 Q C 2.452 178.391 176.000 -0.101 0.000 0.978 125 Q CA 2.004 57.751 55.803 -0.094 0.000 0.844 125 Q CB -0.340 28.369 28.738 -0.048 0.000 0.898 125 Q HN 0.870 nan 8.270 nan 0.000 0.426 126 S N -0.260 115.371 115.700 -0.116 0.000 2.399 126 S HA -0.158 4.312 4.470 -0.000 0.000 0.231 126 S C 2.146 176.686 174.600 -0.100 0.000 1.022 126 S CA 1.071 59.223 58.200 -0.079 0.000 0.983 126 S CB -0.672 62.512 63.200 -0.026 0.000 0.803 126 S HN 0.418 nan 8.310 nan 0.000 0.480 127 C N 1.190 120.358 119.300 -0.220 0.000 2.453 127 C HA 0.052 4.512 4.460 -0.000 0.000 0.277 127 C C 2.816 177.832 174.990 0.044 0.000 1.262 127 C CA 0.658 59.629 59.018 -0.080 0.000 1.718 127 C CB -1.393 26.174 27.740 -0.288 0.000 2.031 127 C HN 0.536 nan 8.230 nan 0.000 0.480 128 V N 0.968 120.846 119.914 -0.059 0.000 2.407 128 V HA -0.210 3.909 4.120 -0.000 0.000 0.248 128 V C 2.665 178.734 176.094 -0.042 0.000 1.055 128 V CA 2.004 64.268 62.300 -0.060 0.000 1.049 128 V CB -0.803 30.958 31.823 -0.103 0.000 0.662 128 V HN 0.504 nan 8.190 nan 0.000 0.455 129 R N -0.138 120.342 120.500 -0.034 0.000 2.073 129 R HA -0.141 4.199 4.340 -0.000 0.000 0.234 129 R C 2.318 178.638 176.300 0.032 0.000 1.134 129 R CA 1.669 57.762 56.100 -0.011 0.000 0.952 129 R CB -0.184 30.113 30.300 -0.005 0.000 0.850 129 R HN 0.332 nan 8.270 nan 0.000 0.433 130 I N 1.203 121.789 120.570 0.026 0.000 2.163 130 I HA -0.329 3.841 4.170 -0.000 0.000 0.243 130 I C 2.561 178.710 176.117 0.053 0.000 1.085 130 I CA 1.385 62.703 61.300 0.031 0.000 1.347 130 I CB -1.003 36.822 38.000 -0.291 0.000 1.044 130 I HN 0.409 nan 8.210 nan 0.000 0.408 131 M N 0.424 120.030 119.600 0.010 0.000 2.082 131 M HA -0.272 4.208 4.480 -0.000 0.000 0.258 131 M C 2.200 178.578 176.300 0.130 0.000 1.069 131 M CA 1.931 57.350 55.300 0.198 0.000 1.102 131 M CB -0.143 32.611 32.600 0.257 0.000 1.336 131 M HN 0.054 nan 8.290 nan 0.000 0.404 132 K N -0.153 120.260 120.400 0.021 0.000 2.103 132 K HA -0.136 4.184 4.320 -0.000 0.000 0.204 132 K C 1.646 178.228 176.600 -0.030 0.000 1.052 132 K CA 1.503 57.778 56.287 -0.019 0.000 0.945 132 K CB -0.699 31.766 32.500 -0.057 0.000 0.722 132 K HN 0.443 nan 8.250 nan 0.000 0.443 133 D N -0.131 120.259 120.400 -0.016 0.000 2.178 133 D HA -0.148 4.492 4.640 -0.000 0.000 0.202 133 D C 1.186 177.289 176.300 -0.327 0.000 0.974 133 D CA 1.157 55.068 54.000 -0.148 0.000 0.841 133 D CB 0.106 40.833 40.800 -0.120 0.000 0.953 133 D HN 0.173 nan 8.370 nan 0.000 0.478 134 Y N -1.126 119.089 120.300 -0.141 0.000 2.449 134 Y HA 0.344 4.894 4.550 -0.000 0.000 0.254 134 Y C 1.809 177.438 175.900 -0.452 0.000 1.140 134 Y CA 0.391 58.314 58.100 -0.294 0.000 1.272 134 Y CB 0.813 39.089 38.460 -0.307 0.000 1.114 134 Y HN 0.066 nan 8.280 nan 0.000 0.525 135 G N -0.432 108.263 108.800 -0.176 0.000 2.132 135 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.234 135 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.234 135 G C -0.072 174.769 174.900 -0.098 0.000 0.989 135 G CA -0.461 44.551 45.100 -0.145 0.000 0.676 135 G HN 0.121 nan 8.290 nan 0.000 0.522 136 F N 0.619 120.639 119.950 0.116 0.000 2.440 136 F HA 0.422 4.949 4.527 -0.000 0.000 0.323 136 F C 1.411 177.357 175.800 0.243 0.000 1.192 136 F CA -0.167 57.944 58.000 0.184 0.000 1.252 136 F CB 0.564 39.741 39.000 0.296 0.000 1.214 136 F HN -0.016 nan 8.300 nan 0.000 0.578 137 D N 0.095 120.795 120.400 0.501 0.000 2.398 137 D HA 0.299 4.939 4.640 -0.000 0.000 0.210 137 D C 0.638 177.200 176.300 0.437 0.000 1.094 137 D CA 0.441 54.699 54.000 0.431 0.000 0.839 137 D CB 0.784 41.730 40.800 0.244 0.000 0.963 137 D HN 0.627 nan 8.370 nan 0.000 0.506 138 G N -0.312 108.704 108.800 0.360 0.000 2.322 138 G HA2 0.334 4.294 3.960 -0.000 0.000 0.295 138 G HA3 0.334 4.294 3.960 -0.000 0.000 0.295 138 G C -1.838 173.044 174.900 -0.031 0.000 1.369 138 G CA -0.606 44.614 45.100 0.201 0.000 0.821 138 G HN -0.067 nan 8.290 nan 0.000 0.536 139 V N 0.525 120.324 119.914 -0.192 0.000 2.540 139 V HA 0.649 4.769 4.120 -0.000 0.000 0.302 139 V C -0.966 174.908 176.094 -0.365 0.000 1.035 139 V CA -0.499 61.466 62.300 -0.558 0.000 0.873 139 V CB 1.751 33.315 31.823 -0.432 0.000 0.992 139 V HN 0.875 nan 8.190 nan 0.000 0.428 140 D N 3.765 123.898 120.400 -0.444 0.000 2.505 140 D HA 0.534 5.174 4.640 -0.000 0.000 0.249 140 D C -0.946 175.319 176.300 -0.058 0.000 1.082 140 D CA -0.411 53.492 54.000 -0.162 0.000 0.839 140 D CB 1.321 42.054 40.800 -0.111 0.000 1.317 140 D HN 0.303 nan 8.370 nan 0.000 0.497 141 I N 3.194 123.814 120.570 0.084 0.000 2.355 141 I HA 0.261 4.431 4.170 -0.000 0.000 0.288 141 I C -0.598 175.686 176.117 0.278 0.000 0.999 141 I CA -0.606 60.825 61.300 0.218 0.000 1.163 141 I CB 1.461 39.647 38.000 0.309 0.000 1.316 141 I HN 0.388 nan 8.210 nan 0.000 0.454 142 D N 6.130 126.692 120.400 0.270 0.000 2.863 142 D HA 0.094 4.734 4.640 -0.000 0.000 0.323 142 D C -0.396 175.912 176.300 0.013 0.000 1.286 142 D CA -0.141 53.962 54.000 0.173 0.000 0.921 142 D CB 0.279 41.233 40.800 0.256 0.000 1.024 142 D HN 0.341 nan 8.370 nan 0.000 0.505 143 W N 2.198 123.391 121.300 -0.179 0.000 2.345 143 W HA 0.262 4.922 4.660 -0.000 0.000 0.308 143 W C -0.409 175.712 176.519 -0.664 0.000 1.273 143 W CA -0.913 56.182 57.345 -0.417 0.000 1.243 143 W CB 0.336 29.626 29.460 -0.285 0.000 1.260 143 W HN 0.123 nan 8.180 nan 0.000 0.509 144 E N 6.825 126.753 120.200 -0.454 0.000 2.376 144 E HA 0.245 4.595 4.350 -0.000 0.000 0.236 144 E C -1.530 174.663 176.600 -0.679 0.000 0.962 144 E CA -0.382 55.212 56.400 -1.343 0.000 0.768 144 E CB 0.824 29.789 29.700 -1.226 0.000 1.236 144 E HN 0.271 nan 8.360 nan 0.000 0.431 145 Y N 0.713 120.857 120.300 -0.261 0.000 2.581 145 Y HA 0.285 4.835 4.550 -0.000 0.000 0.337 145 Y C -2.393 172.961 175.900 -0.910 0.000 1.108 145 Y CA -2.625 55.161 58.100 -0.523 0.000 1.033 145 Y CB 1.785 40.111 38.460 -0.224 0.000 1.318 145 Y HN 0.254 nan 8.280 nan 0.000 0.459 146 P HA 0.055 nan 4.420 nan 0.000 0.269 146 P C -1.177 175.802 177.300 -0.535 0.000 1.209 146 P CA 0.026 62.172 63.100 -1.590 0.000 0.776 146 P CB 1.130 31.601 31.700 -2.049 0.000 0.876 147 Q N 0.906 120.529 119.800 -0.295 0.000 2.180 147 Q HA 0.444 4.784 4.340 -0.000 0.000 0.241 147 Q C 1.634 177.595 176.000 -0.065 0.000 0.970 147 Q CA -0.807 54.945 55.803 -0.085 0.000 0.919 147 Q CB 0.931 29.670 28.738 0.001 0.000 1.222 147 Q HN 0.430 nan 8.270 nan 0.000 0.482 148 A N 1.057 123.863 122.820 -0.023 0.000 1.929 148 A HA -0.310 4.010 4.320 -0.000 0.000 0.221 148 A C 1.961 179.546 177.584 0.002 0.000 1.211 148 A CA 2.609 54.640 52.037 -0.010 0.000 0.657 148 A CB -1.164 17.829 19.000 -0.012 0.000 0.827 148 A HN 0.816 nan 8.150 nan 0.000 0.462 149 A N -0.958 121.868 122.820 0.009 0.000 2.168 149 A HA 0.036 4.356 4.320 -0.000 0.000 0.215 149 A C 1.663 179.270 177.584 0.038 0.000 1.152 149 A CA 1.293 53.346 52.037 0.026 0.000 0.716 149 A CB -0.337 18.683 19.000 0.033 0.000 0.794 149 A HN 0.710 nan 8.150 nan 0.000 0.465 150 E N -0.738 119.473 120.200 0.018 0.000 2.460 150 E HA 0.072 4.422 4.350 -0.000 0.000 0.200 150 E C 1.477 178.099 176.600 0.037 0.000 1.011 150 E CA 0.299 56.725 56.400 0.043 0.000 0.912 150 E CB 0.109 29.822 29.700 0.021 0.000 0.953 150 E HN 0.313 nan 8.360 nan 0.000 0.494 151 V N 2.253 122.168 119.914 0.001 0.000 2.287 151 V HA -0.284 3.836 4.120 -0.000 0.000 0.248 151 V C 1.705 177.883 176.094 0.139 0.000 1.053 151 V CA 2.152 64.488 62.300 0.060 0.000 1.027 151 V CB -0.383 31.471 31.823 0.052 0.000 0.646 151 V HN 0.224 nan 8.190 nan 0.000 0.447 152 D N 0.528 120.985 120.400 0.095 0.000 2.117 152 D HA -0.111 4.529 4.640 -0.000 0.000 0.197 152 D C 2.203 178.566 176.300 0.106 0.000 0.987 152 D CA 1.647 55.700 54.000 0.087 0.000 0.829 152 D CB -0.596 40.241 40.800 0.061 0.000 0.961 152 D HN 0.480 nan 8.370 nan 0.000 0.460 153 G N -0.040 108.837 108.800 0.129 0.000 2.402 153 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.216 153 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.216 153 G C 1.491 176.517 174.900 0.209 0.000 1.162 153 G CA 0.270 45.457 45.100 0.146 0.000 0.777 153 G HN 0.229 nan 8.290 nan 0.000 0.539 154 F N 1.537 121.538 119.950 0.084 0.000 2.095 154 F HA -0.021 4.506 4.527 -0.000 0.000 0.298 154 F C 2.467 178.312 175.800 0.074 0.000 1.104 154 F CA 1.121 59.185 58.000 0.108 0.000 1.232 154 F CB -0.272 38.730 39.000 0.003 0.000 0.987 154 F HN 0.097 nan 8.300 nan 0.000 0.475 155 I N 0.173 120.780 120.570 0.062 0.000 2.208 155 I HA -0.340 3.830 4.170 -0.000 0.000 0.245 155 I C 2.639 178.717 176.117 -0.064 0.000 1.097 155 I CA 1.323 62.588 61.300 -0.059 0.000 1.363 155 I CB -0.912 37.108 38.000 0.033 0.000 1.051 155 I HN 0.255 nan 8.210 nan 0.000 0.413 156 A N 0.527 123.349 122.820 0.002 0.000 1.930 156 A HA -0.093 4.227 4.320 -0.000 0.000 0.217 156 A C 2.517 180.102 177.584 0.000 0.000 1.175 156 A CA 1.637 53.679 52.037 0.008 0.000 0.627 156 A CB -0.660 18.361 19.000 0.036 0.000 0.815 156 A HN 0.435 nan 8.150 nan 0.000 0.443 157 A N -0.137 122.691 122.820 0.014 0.000 1.898 157 A HA 0.010 4.330 4.320 -0.000 0.000 0.216 157 A C 2.137 179.699 177.584 -0.036 0.000 1.181 157 A CA 1.363 53.432 52.037 0.052 0.000 0.620 157 A CB -0.568 18.536 19.000 0.174 0.000 0.819 157 A HN 0.460 nan 8.150 nan 0.000 0.442 158 L N -0.799 120.327 121.223 -0.161 0.000 2.046 158 L HA -0.269 4.071 4.340 -0.000 0.000 0.208 158 L C 2.878 179.682 176.870 -0.110 0.000 1.077 158 L CA 1.657 56.383 54.840 -0.190 0.000 0.747 158 L CB -0.646 41.222 42.059 -0.317 0.000 0.896 158 L HN 0.479 nan 8.230 nan 0.000 0.432 159 Q N -0.485 119.264 119.800 -0.085 0.000 2.124 159 Q HA -0.258 4.082 4.340 -0.000 0.000 0.202 159 Q C 2.113 178.089 176.000 -0.040 0.000 0.977 159 Q CA 1.549 57.321 55.803 -0.052 0.000 0.850 159 Q CB -0.054 28.664 28.738 -0.034 0.000 0.901 159 Q HN 0.329 nan 8.270 nan 0.000 0.429 160 E N 1.064 121.243 120.200 -0.035 0.000 2.047 160 E HA -0.126 4.224 4.350 -0.000 0.000 0.191 160 E C 1.669 178.239 176.600 -0.049 0.000 0.987 160 E CA 1.026 57.408 56.400 -0.029 0.000 0.799 160 E CB -0.149 29.544 29.700 -0.012 0.000 0.752 160 E HN 0.325 nan 8.360 nan 0.000 0.449 161 I N 0.308 120.835 120.570 -0.072 0.000 2.226 161 I HA -0.276 3.894 4.170 -0.000 0.000 0.245 161 I C 2.509 178.587 176.117 -0.065 0.000 1.100 161 I CA 1.250 62.492 61.300 -0.096 0.000 1.374 161 I CB -0.312 37.611 38.000 -0.127 0.000 1.057 161 I HN 0.089 nan 8.210 nan 0.000 0.413 162 R N 1.222 121.690 120.500 -0.054 0.000 2.083 162 R HA -0.164 4.176 4.340 -0.000 0.000 0.237 162 R C 2.134 178.422 176.300 -0.019 0.000 1.137 162 R CA 2.433 58.513 56.100 -0.033 0.000 0.951 162 R CB -1.293 28.985 30.300 -0.037 0.000 0.851 162 R HN 0.227 nan 8.270 nan 0.000 0.434 163 T N 1.361 115.901 114.554 -0.023 0.000 2.720 163 T HA -0.097 4.252 4.350 -0.000 0.000 0.268 163 T C 1.733 176.427 174.700 -0.011 0.000 1.037 163 T CA 1.741 63.832 62.100 -0.014 0.000 1.144 163 T CB -0.198 68.661 68.868 -0.015 0.000 0.864 163 T HN 0.177 nan 8.240 nan 0.000 0.444 164 L N 0.203 121.411 121.223 -0.025 0.000 2.056 164 L HA 0.021 4.360 4.340 -0.000 0.000 0.207 164 L C 2.502 179.360 176.870 -0.019 0.000 1.078 164 L CA 0.970 55.792 54.840 -0.030 0.000 0.749 164 L CB -0.629 41.397 42.059 -0.055 0.000 0.901 164 L HN 0.237 nan 8.230 nan 0.000 0.433 165 L N -0.231 120.985 121.223 -0.013 0.000 2.046 165 L HA -0.196 4.144 4.340 -0.000 0.000 0.208 165 L C 2.373 179.309 176.870 0.111 0.000 1.077 165 L CA 1.029 55.889 54.840 0.033 0.000 0.747 165 L CB -0.616 41.476 42.059 0.055 0.000 0.896 165 L HN 0.329 nan 8.230 nan 0.000 0.432 166 N N -0.051 118.689 118.700 0.066 0.000 2.120 166 N HA -0.194 4.546 4.740 -0.000 0.000 0.188 166 N C 1.885 177.434 175.510 0.066 0.000 1.024 166 N CA 1.202 54.290 53.050 0.064 0.000 0.852 166 N CB -0.190 38.314 38.487 0.028 0.000 1.003 166 N HN 0.397 nan 8.380 nan 0.000 0.424 167 Q N -0.036 119.792 119.800 0.046 0.000 2.084 167 Q HA -0.162 4.178 4.340 -0.000 0.000 0.202 167 Q C 1.941 177.981 176.000 0.067 0.000 0.978 167 Q CA 1.176 57.003 55.803 0.040 0.000 0.844 167 Q CB -0.119 28.630 28.738 0.018 0.000 0.898 167 Q HN 0.271 nan 8.270 nan 0.000 0.426 168 Q N 0.218 120.066 119.800 0.080 0.000 2.124 168 Q HA -0.133 4.207 4.340 -0.000 0.000 0.202 168 Q C 1.906 178.086 176.000 0.299 0.000 0.977 168 Q CA 1.878 57.753 55.803 0.120 0.000 0.850 168 Q CB -0.349 28.370 28.738 -0.030 0.000 0.901 168 Q HN 0.266 nan 8.270 nan 0.000 0.429 169 T N 0.682 115.449 114.554 0.356 0.000 2.720 169 T HA -0.124 4.226 4.350 -0.000 0.000 0.268 169 T C 1.483 176.234 174.700 0.084 0.000 1.037 169 T CA 1.336 63.565 62.100 0.214 0.000 1.144 169 T CB -0.142 68.787 68.868 0.102 0.000 0.864 169 T HN 0.202 nan 8.240 nan 0.000 0.444 170 I N 1.402 122.016 120.570 0.074 0.000 2.252 170 I HA -0.084 4.086 4.170 -0.000 0.000 0.245 170 I C 2.623 178.766 176.117 0.043 0.000 1.102 170 I CA 1.415 62.738 61.300 0.039 0.000 1.385 170 I CB -1.878 36.139 38.000 0.029 0.000 1.064 170 I HN 0.235 nan 8.210 nan 0.000 0.414 171 T N 0.915 115.505 114.554 0.061 0.000 2.881 171 T HA -0.138 4.211 4.350 -0.000 0.000 0.270 171 T C 1.094 175.830 174.700 0.061 0.000 1.068 171 T CA 1.347 63.478 62.100 0.053 0.000 1.131 171 T CB -0.167 68.732 68.868 0.052 0.000 0.871 171 T HN 0.266 nan 8.240 nan 0.000 0.479 172 D N -0.003 120.455 120.400 0.096 0.000 2.363 172 D HA 0.270 4.910 4.640 -0.000 0.000 0.214 172 D C 1.344 177.661 176.300 0.028 0.000 1.093 172 D CA 0.200 54.253 54.000 0.089 0.000 0.837 172 D CB -0.137 40.779 40.800 0.194 0.000 0.948 172 D HN 0.382 nan 8.370 nan 0.000 0.507 173 G N 1.970 110.777 108.800 0.012 0.000 2.323 173 G HA2 -0.333 3.626 3.960 -0.000 0.000 0.292 173 G HA3 -0.333 3.626 3.960 -0.000 0.000 0.292 173 G C 0.816 175.686 174.900 -0.051 0.000 1.040 173 G CA -0.143 44.948 45.100 -0.016 0.000 0.942 173 G HN 0.184 nan 8.290 nan 0.000 0.506 174 R N -0.698 119.748 120.500 -0.091 0.000 2.568 174 R HA 0.159 4.499 4.340 -0.000 0.000 0.288 174 R C 2.034 178.247 176.300 -0.145 0.000 1.077 174 R CA 0.139 56.132 56.100 -0.178 0.000 1.102 174 R CB 0.136 30.188 30.300 -0.414 0.000 1.278 174 R HN 0.571 nan 8.270 nan 0.000 0.560 175 Q N 0.396 120.146 119.800 -0.083 0.000 2.152 175 Q HA -0.119 4.220 4.340 -0.000 0.000 0.206 175 Q C 1.934 177.897 176.000 -0.062 0.000 0.985 175 Q CA 2.217 57.984 55.803 -0.060 0.000 0.863 175 Q CB -0.180 28.536 28.738 -0.037 0.000 0.904 175 Q HN 0.346 nan 8.270 nan 0.000 0.422 176 A N -0.877 121.904 122.820 -0.065 0.000 2.066 176 A HA 0.088 4.408 4.320 -0.000 0.000 0.218 176 A C 0.670 178.214 177.584 -0.067 0.000 1.157 176 A CA 0.534 52.538 52.037 -0.055 0.000 0.670 176 A CB 0.310 19.282 19.000 -0.047 0.000 0.804 176 A HN 0.270 nan 8.150 nan 0.000 0.453 177 L N -0.039 121.121 121.223 -0.104 0.000 2.440 177 L HA 0.386 4.726 4.340 -0.000 0.000 0.261 177 L C -3.018 173.737 176.870 -0.193 0.000 1.382 177 L CA -1.702 53.068 54.840 -0.117 0.000 0.871 177 L CB 1.605 43.596 42.059 -0.114 0.000 1.052 177 L HN -0.143 nan 8.230 nan 0.000 0.509 178 P HA 0.111 nan 4.420 nan 0.000 0.269 178 P C -1.002 176.212 177.300 -0.143 0.000 1.209 178 P CA 0.157 63.153 63.100 -0.174 0.000 0.776 178 P CB 0.217 31.878 31.700 -0.065 0.000 0.876 179 Y N 0.982 121.300 120.300 0.029 0.000 2.610 179 Y HA 0.071 4.621 4.550 -0.000 0.000 0.332 179 Y C 1.382 177.303 175.900 0.034 0.000 1.201 179 Y CA 0.909 59.035 58.100 0.044 0.000 1.465 179 Y CB -0.061 38.425 38.460 0.044 0.000 1.283 179 Y HN 0.320 nan 8.280 nan 0.000 0.563 180 Q N 1.900 121.829 119.800 0.215 0.000 2.359 180 Q HA 0.691 5.031 4.340 -0.000 0.000 0.275 180 Q C -1.642 174.404 176.000 0.076 0.000 1.082 180 Q CA -1.407 54.472 55.803 0.127 0.000 0.849 180 Q CB 2.742 31.577 28.738 0.162 0.000 1.377 180 Q HN 0.522 nan 8.270 nan 0.000 0.452 181 L N 0.653 121.893 121.223 0.029 0.000 2.409 181 L HA 0.645 4.985 4.340 -0.000 0.000 0.272 181 L C -1.169 175.703 176.870 0.003 0.000 0.980 181 L CA 0.110 54.942 54.840 -0.014 0.000 0.826 181 L CB 2.173 44.210 42.059 -0.037 0.000 1.268 181 L HN 0.845 nan 8.230 nan 0.000 0.407 182 T N 2.659 117.219 114.554 0.009 0.000 2.816 182 T HA 0.821 5.171 4.350 -0.000 0.000 0.299 182 T C -0.524 174.215 174.700 0.066 0.000 1.230 182 T CA -0.552 61.581 62.100 0.056 0.000 1.007 182 T CB 1.484 70.404 68.868 0.087 0.000 1.289 182 T HN 0.902 nan 8.240 nan 0.000 0.508 183 I N -1.859 118.781 120.570 0.118 0.000 2.994 183 I HA 0.894 5.064 4.170 -0.000 0.000 0.306 183 I C -0.770 175.466 176.117 0.199 0.000 1.195 183 I CA -1.847 59.558 61.300 0.174 0.000 1.001 183 I CB 1.918 40.053 38.000 0.226 0.000 1.244 183 I HN 0.957 nan 8.210 nan 0.000 0.437 184 A N 2.863 125.825 122.820 0.237 0.000 2.276 184 A HA 0.785 5.105 4.320 -0.000 0.000 0.300 184 A C 0.182 177.912 177.584 0.243 0.000 1.235 184 A CA -0.062 52.123 52.037 0.247 0.000 0.867 184 A CB 0.199 19.364 19.000 0.275 0.000 1.137 184 A HN 1.093 nan 8.150 nan 0.000 0.527 185 G N 0.809 109.745 108.800 0.227 0.000 2.434 185 G HA2 0.618 4.578 3.960 -0.000 0.000 0.330 185 G HA3 0.618 4.578 3.960 -0.000 0.000 0.330 185 G C 0.200 175.260 174.900 0.266 0.000 1.155 185 G CA -0.039 45.239 45.100 0.296 0.000 0.917 185 G HN 1.361 nan 8.290 nan 0.000 0.493 186 A N -0.253 122.700 122.820 0.222 0.000 2.511 186 A HA 0.519 4.839 4.320 -0.000 0.000 0.242 186 A C 1.338 178.931 177.584 0.015 0.000 1.069 186 A CA 0.497 52.491 52.037 -0.072 0.000 0.763 186 A CB 0.493 19.199 19.000 -0.490 0.000 1.001 186 A HN 1.415 nan 8.150 nan 0.000 0.498 187 G N 1.343 110.123 108.800 -0.033 0.000 3.393 187 G HA2 0.459 4.419 3.960 -0.000 0.000 0.255 187 G HA3 0.459 4.419 3.960 -0.000 0.000 0.255 187 G C 0.437 175.321 174.900 -0.027 0.000 1.097 187 G CA 0.572 45.640 45.100 -0.054 0.000 0.780 187 G HN 1.219 nan 8.290 nan 0.000 0.540 188 G N -1.108 107.682 108.800 -0.016 0.000 2.617 188 G HA2 0.534 4.494 3.960 -0.000 0.000 0.306 188 G HA3 0.534 4.494 3.960 -0.000 0.000 0.306 188 G C 0.821 175.646 174.900 -0.125 0.000 1.360 188 G CA 0.324 45.411 45.100 -0.020 0.000 0.983 188 G HN 0.285 nan 8.290 nan 0.000 0.496 189 A N 1.793 124.468 122.820 -0.243 0.000 1.958 189 A HA -0.065 4.255 4.320 -0.000 0.000 0.221 189 A C 1.915 179.183 177.584 -0.528 0.000 1.178 189 A CA 1.869 53.620 52.037 -0.478 0.000 0.642 189 A CB -0.619 18.045 19.000 -0.560 0.000 0.816 189 A HN 0.664 nan 8.150 nan 0.000 0.453 190 F N -1.724 118.129 119.950 -0.162 0.000 2.075 190 F HA -0.126 4.401 4.527 -0.000 0.000 0.297 190 F C 2.113 177.724 175.800 -0.314 0.000 1.113 190 F CA 1.440 59.291 58.000 -0.250 0.000 1.218 190 F CB -0.711 38.108 39.000 -0.301 0.000 0.984 190 F HN 0.196 nan 8.300 nan 0.000 0.472 191 F N -0.422 119.472 119.950 -0.094 0.000 2.259 191 F HA -0.083 4.444 4.527 -0.000 0.000 0.298 191 F C 2.136 177.638 175.800 -0.496 0.000 1.088 191 F CA 0.551 58.386 58.000 -0.276 0.000 1.358 191 F CB -0.874 37.870 39.000 -0.427 0.000 1.040 191 F HN -0.102 nan 8.300 nan 0.000 0.505 192 L N 0.264 121.273 121.223 -0.358 0.000 2.131 192 L HA -0.174 4.166 4.340 -0.000 0.000 0.210 192 L C 2.516 178.966 176.870 -0.699 0.000 1.092 192 L CA 1.925 56.371 54.840 -0.658 0.000 0.759 192 L CB -1.123 40.661 42.059 -0.460 0.000 0.903 192 L HN 0.167 nan 8.230 nan 0.000 0.435 193 S N -0.829 114.580 115.700 -0.486 0.000 2.419 193 S HA -0.241 4.229 4.470 -0.000 0.000 0.235 193 S C 2.035 176.454 174.600 -0.301 0.000 1.019 193 S CA 1.040 58.996 58.200 -0.406 0.000 0.982 193 S CB -0.728 62.275 63.200 -0.328 0.000 0.789 193 S HN 0.576 nan 8.310 nan 0.000 0.490 194 R N 0.423 120.756 120.500 -0.277 0.000 2.127 194 R HA -0.092 4.248 4.340 -0.000 0.000 0.238 194 R C 1.596 177.858 176.300 -0.063 0.000 1.134 194 R CA 1.823 57.848 56.100 -0.124 0.000 0.975 194 R CB -0.380 29.928 30.300 0.012 0.000 0.865 194 R HN 0.916 nan 8.270 nan 0.000 0.447 195 Y N -5.713 114.537 120.300 -0.084 0.000 2.666 195 Y HA 0.216 4.766 4.550 -0.000 0.000 0.260 195 Y C 1.343 177.219 175.900 -0.040 0.000 1.089 195 Y CA -1.279 56.777 58.100 -0.074 0.000 1.246 195 Y CB -0.728 37.669 38.460 -0.105 0.000 1.353 195 Y HN -0.144 nan 8.280 nan 0.000 0.558 196 Y N 2.861 122.902 120.300 -0.430 0.000 2.181 196 Y HA -0.313 4.237 4.550 -0.000 0.000 0.284 196 Y C 2.644 178.434 175.900 -0.182 0.000 1.179 196 Y CA 2.431 60.317 58.100 -0.357 0.000 1.179 196 Y CB -0.412 37.762 38.460 -0.477 0.000 0.973 196 Y HN 0.360 nan 8.280 nan 0.000 0.519 197 S N -0.684 114.915 115.700 -0.168 0.000 2.419 197 S HA -0.181 4.289 4.470 -0.000 0.000 0.233 197 S C 1.440 175.952 174.600 -0.147 0.000 1.016 197 S CA 1.457 59.533 58.200 -0.206 0.000 0.974 197 S CB -0.377 62.747 63.200 -0.126 0.000 0.786 197 S HN 0.539 nan 8.310 nan 0.000 0.492 198 K N 0.561 120.924 120.400 -0.062 0.000 2.576 198 K HA 0.418 4.738 4.320 -0.000 0.000 0.209 198 K C 1.024 177.634 176.600 0.017 0.000 1.049 198 K CA -0.235 56.049 56.287 -0.005 0.000 1.140 198 K CB 0.065 32.593 32.500 0.045 0.000 0.871 198 K HN 0.270 nan 8.250 nan 0.000 0.479 199 L N 0.713 121.903 121.223 -0.055 0.000 2.013 199 L HA -0.286 4.054 4.340 -0.000 0.000 0.212 199 L C 2.366 179.248 176.870 0.021 0.000 1.073 199 L CA 1.788 56.623 54.840 -0.008 0.000 0.753 199 L CB -0.428 41.528 42.059 -0.171 0.000 0.890 199 L HN 0.366 nan 8.230 nan 0.000 0.432 200 A N -0.821 121.993 122.820 -0.010 0.000 1.908 200 A HA -0.287 4.033 4.320 -0.000 0.000 0.218 200 A C 2.088 179.686 177.584 0.023 0.000 1.181 200 A CA 1.833 53.879 52.037 0.015 0.000 0.627 200 A CB -0.484 18.523 19.000 0.012 0.000 0.818 200 A HN 0.569 nan 8.150 nan 0.000 0.445 201 Q N -0.856 118.957 119.800 0.023 0.000 2.172 201 Q HA -0.002 4.337 4.340 -0.000 0.000 0.200 201 Q C 2.001 178.014 176.000 0.021 0.000 0.964 201 Q CA 1.165 56.981 55.803 0.022 0.000 0.855 201 Q CB -0.221 28.532 28.738 0.026 0.000 0.918 201 Q HN 0.750 nan 8.270 nan 0.000 0.444 202 I N -0.103 120.496 120.570 0.048 0.000 2.252 202 I HA -0.233 3.937 4.170 -0.000 0.000 0.245 202 I C 1.991 178.124 176.117 0.027 0.000 1.102 202 I CA 0.899 62.229 61.300 0.050 0.000 1.385 202 I CB -0.042 38.033 38.000 0.125 0.000 1.064 202 I HN 0.023 nan 8.210 nan 0.000 0.414 203 V N 0.749 120.694 119.914 0.052 0.000 2.871 203 V HA -0.117 4.003 4.120 -0.000 0.000 0.256 203 V C 2.626 178.727 176.094 0.012 0.000 1.082 203 V CA 1.249 63.577 62.300 0.047 0.000 1.105 203 V CB -0.826 31.046 31.823 0.083 0.000 0.713 203 V HN 0.432 nan 8.190 nan 0.000 0.473 204 A N 1.799 124.622 122.820 0.005 0.000 1.884 204 A HA -0.182 4.138 4.320 -0.000 0.000 0.219 204 A C 0.759 178.328 177.584 -0.025 0.000 1.197 204 A CA 2.436 54.468 52.037 -0.008 0.000 0.637 204 A CB -1.963 17.034 19.000 -0.005 0.000 0.827 204 A HN 0.590 nan 8.150 nan 0.000 0.450 205 P HA 0.124 nan 4.420 nan 0.000 0.242 205 P C 0.004 177.274 177.300 -0.051 0.000 1.197 205 P CA 0.453 63.526 63.100 -0.046 0.000 0.765 205 P CB -0.135 31.528 31.700 -0.062 0.000 0.936 206 L N -0.304 120.891 121.223 -0.046 0.000 2.375 206 L HA 0.331 4.671 4.340 -0.000 0.000 0.268 206 L C 1.426 178.236 176.870 -0.100 0.000 1.058 206 L CA -0.686 54.125 54.840 -0.048 0.000 0.803 206 L CB 0.824 42.878 42.059 -0.008 0.000 1.212 206 L HN -0.280 nan 8.230 nan 0.000 0.451 207 D N -0.230 120.081 120.400 -0.148 0.000 2.216 207 D HA 0.038 4.678 4.640 -0.000 0.000 0.208 207 D C -0.644 175.273 176.300 -0.638 0.000 0.960 207 D CA 1.517 55.285 54.000 -0.387 0.000 0.861 207 D CB 0.552 41.153 40.800 -0.333 0.000 0.985 207 D HN 0.278 nan 8.370 nan 0.000 0.493 208 Y N -0.620 119.677 120.300 -0.005 0.000 2.552 208 Y HA 0.386 4.936 4.550 -0.000 0.000 0.337 208 Y C -0.745 175.161 175.900 0.010 0.000 1.094 208 Y CA -0.933 57.160 58.100 -0.010 0.000 1.028 208 Y CB 1.911 40.337 38.460 -0.057 0.000 1.321 208 Y HN -0.284 nan 8.280 nan 0.000 0.456 209 I N 3.486 124.180 120.570 0.206 0.000 2.355 209 I HA 0.456 4.626 4.170 -0.000 0.000 0.288 209 I C -1.191 174.995 176.117 0.115 0.000 0.999 209 I CA -0.607 60.784 61.300 0.152 0.000 1.163 209 I CB 0.521 38.614 38.000 0.155 0.000 1.316 209 I HN 0.576 nan 8.210 nan 0.000 0.454 210 N N 8.933 127.702 118.700 0.116 0.000 2.469 210 N HA 0.309 5.049 4.740 -0.000 0.000 0.239 210 N C -0.715 174.841 175.510 0.077 0.000 1.053 210 N CA -0.234 52.871 53.050 0.092 0.000 0.937 210 N CB 1.343 39.915 38.487 0.141 0.000 1.163 210 N HN 0.572 nan 8.380 nan 0.000 0.509 211 L N 1.998 123.219 121.223 -0.003 0.000 2.410 211 L HA 0.233 4.573 4.340 -0.000 0.000 0.273 211 L C 1.165 177.955 176.870 -0.132 0.000 1.144 211 L CA 0.024 54.821 54.840 -0.072 0.000 0.863 211 L CB 0.370 42.327 42.059 -0.170 0.000 1.140 211 L HN 0.339 nan 8.230 nan 0.000 0.463 212 M N 3.337 122.814 119.600 -0.205 0.000 3.596 212 M HA 0.047 4.527 4.480 -0.000 0.000 0.219 212 M C 0.386 176.236 176.300 -0.750 0.000 1.471 212 M CA -0.127 54.797 55.300 -0.626 0.000 1.644 212 M CB -0.520 31.881 32.600 -0.332 0.000 1.083 212 M HN 0.561 nan 8.290 nan 0.000 0.579 213 T N -0.162 114.048 114.554 -0.574 0.000 4.309 213 T HA 0.272 4.621 4.350 -0.000 0.000 0.242 213 T C -0.537 174.079 174.700 -0.138 0.000 1.142 213 T CA -0.222 61.717 62.100 -0.270 0.000 1.042 213 T CB -1.129 67.676 68.868 -0.105 0.000 1.366 213 T HN 0.504 nan 8.240 nan 0.000 0.942 214 Y N -2.851 117.512 120.300 0.105 0.000 2.764 214 Y HA 0.539 5.089 4.550 -0.000 0.000 0.331 214 Y C -0.254 175.749 175.900 0.171 0.000 1.280 214 Y CA -1.938 56.235 58.100 0.122 0.000 1.065 214 Y CB 0.039 38.575 38.460 0.126 0.000 1.319 214 Y HN 0.115 nan 8.280 nan 0.000 0.453 215 D N 0.066 120.744 120.400 0.462 0.000 2.945 215 D HA -0.168 4.472 4.640 -0.000 0.000 0.225 215 D C 0.338 176.868 176.300 0.384 0.000 1.158 215 D CA 1.095 55.362 54.000 0.445 0.000 0.805 215 D CB -1.127 39.958 40.800 0.475 0.000 1.098 215 D HN 0.715 nan 8.370 nan 0.000 0.426 216 L N -1.082 120.292 121.223 0.252 0.000 2.627 216 L HA 0.298 4.638 4.340 -0.000 0.000 0.233 216 L C 1.055 178.014 176.870 0.149 0.000 1.144 216 L CA 0.560 55.492 54.840 0.153 0.000 0.892 216 L CB -0.026 42.064 42.059 0.051 0.000 1.039 216 L HN 0.213 nan 8.230 nan 0.000 0.442 217 A N -0.679 122.271 122.820 0.217 0.000 2.547 217 A HA 0.799 5.119 4.320 -0.000 0.000 0.297 217 A C -0.431 177.127 177.584 -0.043 0.000 1.056 217 A CA 0.021 52.146 52.037 0.147 0.000 0.688 217 A CB 1.512 20.616 19.000 0.172 0.000 1.282 217 A HN 0.098 nan 8.150 nan 0.000 0.400 218 G N 0.232 108.705 108.800 -0.544 0.000 2.600 218 G HA2 0.683 4.643 3.960 -0.000 0.000 0.293 218 G HA3 0.683 4.643 3.960 -0.000 0.000 0.293 218 G C -2.612 171.596 174.900 -1.154 0.000 1.408 218 G CA -0.388 43.874 45.100 -1.397 0.000 0.782 218 G HN 0.389 nan 8.290 nan 0.000 0.482 219 P HA -0.025 nan 4.420 nan 0.000 0.230 219 P C 1.021 178.297 177.300 -0.040 0.000 1.158 219 P CA 0.996 63.853 63.100 -0.405 0.000 0.769 219 P CB -0.023 31.546 31.700 -0.219 0.000 0.807 220 W N -0.385 121.004 121.300 0.149 0.000 2.905 220 W HA 0.358 5.018 4.660 -0.000 0.000 0.251 220 W C 0.363 176.980 176.519 0.165 0.000 1.305 220 W CA -0.356 57.066 57.345 0.129 0.000 1.465 220 W CB -1.123 28.373 29.460 0.060 0.000 1.122 220 W HN -0.186 nan 8.180 nan 0.000 0.659 221 E N 1.419 121.627 120.200 0.012 0.000 2.319 221 E HA 0.134 4.484 4.350 -0.000 0.000 0.268 221 E C 1.377 178.132 176.600 0.258 0.000 1.050 221 E CA -0.187 56.329 56.400 0.193 0.000 0.878 221 E CB 1.042 30.823 29.700 0.135 0.000 1.066 221 E HN 0.086 nan 8.360 nan 0.000 0.406 222 K N 0.745 121.237 120.400 0.154 0.000 2.026 222 K HA -0.036 4.284 4.320 -0.000 0.000 0.208 222 K C 0.729 177.372 176.600 0.072 0.000 1.048 222 K CA 1.292 57.615 56.287 0.060 0.000 0.929 222 K CB -0.361 32.133 32.500 -0.012 0.000 0.713 222 K HN 0.384 nan 8.250 nan 0.000 0.439 223 V N -0.342 119.610 119.914 0.064 0.000 2.769 223 V HA 0.308 4.428 4.120 -0.000 0.000 0.312 223 V C 0.017 176.030 176.094 -0.135 0.000 1.061 223 V CA -1.263 61.042 62.300 0.009 0.000 0.931 223 V CB 1.471 33.257 31.823 -0.061 0.000 1.010 223 V HN 0.338 nan 8.190 nan 0.000 0.433 224 T N 1.402 115.707 114.554 -0.416 0.000 2.937 224 T HA 0.382 4.732 4.350 -0.000 0.000 0.316 224 T C -0.124 174.126 174.700 -0.750 0.000 1.079 224 T CA 0.264 61.692 62.100 -1.121 0.000 1.131 224 T CB 0.428 68.429 68.868 -1.445 0.000 1.000 224 T HN 1.273 nan 8.240 nan 0.000 0.549 225 N N -0.682 117.641 118.700 -0.629 0.000 2.927 225 N HA 0.189 4.929 4.740 -0.000 0.000 0.248 225 N C -1.761 173.663 175.510 -0.144 0.000 1.443 225 N CA -0.757 52.117 53.050 -0.293 0.000 0.870 225 N CB 1.072 39.562 38.487 0.005 0.000 1.444 225 N HN 0.693 nan 8.380 nan 0.000 0.519 226 H N 1.294 120.438 119.070 0.122 0.000 2.803 226 H HA 0.083 4.639 4.556 -0.000 0.000 0.330 226 H C 0.441 175.836 175.328 0.111 0.000 1.057 226 H CA 0.278 56.394 56.048 0.114 0.000 1.458 226 H CB 1.120 30.898 29.762 0.027 0.000 1.470 226 H HN 0.583 nan 8.280 nan 0.000 0.560 227 Q N 2.064 122.004 119.800 0.234 0.000 2.472 227 Q HA 0.194 4.534 4.340 -0.000 0.000 0.208 227 Q C 0.223 176.327 176.000 0.174 0.000 0.958 227 Q CA 0.798 56.722 55.803 0.203 0.000 0.932 227 Q CB 0.703 29.569 28.738 0.215 0.000 1.007 227 Q HN 0.518 nan 8.270 nan 0.000 0.508 228 A N 0.290 123.191 122.820 0.136 0.000 3.214 228 A HA 0.639 4.959 4.320 -0.000 0.000 0.203 228 A C -0.122 177.467 177.584 0.008 0.000 0.960 228 A CA -0.198 51.895 52.037 0.093 0.000 1.113 228 A CB 0.085 19.173 19.000 0.146 0.000 1.280 228 A HN 0.370 nan 8.150 nan 0.000 0.573 229 A N 0.084 122.904 122.820 0.001 0.000 2.546 229 A HA 0.413 4.733 4.320 -0.000 0.000 0.243 229 A C 1.210 178.697 177.584 -0.162 0.000 1.063 229 A CA 0.259 52.242 52.037 -0.090 0.000 0.757 229 A CB 0.085 19.075 19.000 -0.016 0.000 0.991 229 A HN 1.371 nan 8.150 nan 0.000 0.503 230 L N 2.986 124.045 121.223 -0.275 0.000 2.023 230 L HA 0.214 4.554 4.340 -0.000 0.000 0.205 230 L C 0.179 176.653 176.870 -0.661 0.000 1.073 230 L CA 1.806 56.326 54.840 -0.534 0.000 0.745 230 L CB -0.549 41.119 42.059 -0.652 0.000 0.900 230 L HN 0.608 nan 8.230 nan 0.000 0.435 231 F N -1.168 118.733 119.950 -0.083 0.000 2.594 231 F HA 0.640 5.167 4.527 -0.000 0.000 0.335 231 F C 0.942 176.729 175.800 -0.023 0.000 1.058 231 F CA -0.969 57.012 58.000 -0.030 0.000 0.981 231 F CB 0.422 39.415 39.000 -0.012 0.000 1.289 231 F HN -0.110 nan 8.300 nan 0.000 0.490 232 G N -0.064 108.886 108.800 0.249 0.000 2.444 232 G HA2 0.370 4.330 3.960 -0.000 0.000 0.268 232 G HA3 0.370 4.330 3.960 -0.000 0.000 0.268 232 G C -1.510 173.438 174.900 0.079 0.000 1.203 232 G CA -0.194 44.981 45.100 0.126 0.000 0.835 232 G HN 0.508 nan 8.290 nan 0.000 0.543 233 D N 1.406 121.831 120.400 0.041 0.000 2.441 233 D HA 0.416 5.056 4.640 -0.000 0.000 0.231 233 D C 1.278 177.544 176.300 -0.058 0.000 1.073 233 D CA -0.186 53.826 54.000 0.019 0.000 0.850 233 D CB 1.257 42.111 40.800 0.090 0.000 1.062 233 D HN 0.314 nan 8.370 nan 0.000 0.524 234 A N 3.500 126.296 122.820 -0.040 0.000 2.148 234 A HA -0.100 4.220 4.320 -0.000 0.000 0.222 234 A C 1.855 179.364 177.584 -0.126 0.000 1.161 234 A CA 1.919 53.916 52.037 -0.065 0.000 0.662 234 A CB -0.286 18.693 19.000 -0.035 0.000 0.799 234 A HN 0.600 nan 8.150 nan 0.000 0.466 235 A N -0.902 121.824 122.820 -0.157 0.000 2.238 235 A HA 0.485 4.805 4.320 -0.000 0.000 0.210 235 A C 1.357 178.551 177.584 -0.650 0.000 1.179 235 A CA 0.748 52.648 52.037 -0.229 0.000 0.827 235 A CB -0.526 18.446 19.000 -0.046 0.000 0.856 235 A HN 0.701 nan 8.150 nan 0.000 0.488 236 G N 0.453 108.747 108.800 -0.843 0.000 2.547 236 G HA2 0.496 4.455 3.960 -0.000 0.000 0.291 236 G HA3 0.496 4.455 3.960 -0.000 0.000 0.291 236 G C -2.375 172.163 174.900 -0.603 0.000 1.211 236 G CA -1.364 42.925 45.100 -1.353 0.000 0.950 236 G HN 0.169 nan 8.290 nan 0.000 0.504 237 P HA 0.199 nan 4.420 nan 0.000 0.270 237 P C -0.066 177.099 177.300 -0.225 0.000 1.223 237 P CA 0.068 62.983 63.100 -0.309 0.000 0.785 237 P CB 0.930 32.456 31.700 -0.291 0.000 0.923 238 T N -1.587 112.778 114.554 -0.315 0.000 2.926 238 T HA 0.752 5.102 4.350 -0.000 0.000 0.289 238 T C -0.622 173.859 174.700 -0.366 0.000 1.054 238 T CA -0.525 61.480 62.100 -0.158 0.000 1.015 238 T CB 0.972 69.796 68.868 -0.075 0.000 1.167 238 T HN 0.203 nan 8.240 nan 0.000 0.526 239 F N -0.561 119.356 119.950 -0.056 0.000 2.603 239 F HA 0.508 5.035 4.527 -0.000 0.000 0.317 239 F C -0.537 175.473 175.800 0.350 0.000 1.066 239 F CA -1.589 56.504 58.000 0.155 0.000 0.941 239 F CB 1.349 40.462 39.000 0.189 0.000 1.291 239 F HN 0.727 nan 8.300 nan 0.000 0.472 240 Y N 2.289 122.909 120.300 0.533 0.000 2.442 240 Y HA 0.139 4.689 4.550 -0.000 0.000 0.330 240 Y C 0.512 176.619 175.900 0.345 0.000 1.129 240 Y CA -0.324 58.009 58.100 0.388 0.000 1.365 240 Y CB 0.297 38.965 38.460 0.347 0.000 1.233 240 Y HN 0.471 nan 8.280 nan 0.000 0.529 241 N N 5.492 124.187 118.700 -0.009 0.000 2.605 241 N HA 0.077 4.816 4.740 -0.000 0.000 0.258 241 N C 0.638 175.987 175.510 -0.269 0.000 1.156 241 N CA 0.624 53.539 53.050 -0.225 0.000 1.008 241 N CB 0.549 38.801 38.487 -0.391 0.000 1.354 241 N HN 0.911 nan 8.380 nan 0.000 0.509 242 A N 3.871 126.593 122.820 -0.162 0.000 2.084 242 A HA -0.134 4.186 4.320 -0.000 0.000 0.221 242 A C 2.057 179.397 177.584 -0.407 0.000 1.161 242 A CA 0.939 52.908 52.037 -0.113 0.000 0.653 242 A CB -0.247 18.602 19.000 -0.252 0.000 0.802 242 A HN 0.716 nan 8.150 nan 0.000 0.457 243 L N -0.485 120.279 121.223 -0.764 0.000 2.291 243 L HA -0.146 4.194 4.340 -0.000 0.000 0.214 243 L C 2.617 178.698 176.870 -1.315 0.000 1.120 243 L CA 1.249 55.348 54.840 -1.234 0.000 0.799 243 L CB -0.514 40.416 42.059 -1.881 0.000 0.925 243 L HN 0.594 nan 8.230 nan 0.000 0.446 244 R N -0.169 119.813 120.500 -0.863 0.000 2.285 244 R HA -0.089 4.250 4.340 -0.000 0.000 0.213 244 R C 0.945 177.097 176.300 -0.245 0.000 1.068 244 R CA 0.831 56.695 56.100 -0.394 0.000 1.004 244 R CB -0.177 30.030 30.300 -0.155 0.000 0.873 244 R HN 0.299 nan 8.270 nan 0.000 0.467 245 E N 0.840 120.890 120.200 -0.249 0.000 2.481 245 E HA 0.223 4.572 4.350 -0.000 0.000 0.198 245 E C 0.215 176.706 176.600 -0.182 0.000 1.027 245 E CA 0.195 56.519 56.400 -0.128 0.000 0.900 245 E CB 0.989 30.675 29.700 -0.022 0.000 0.993 245 E HN 0.415 nan 8.360 nan 0.000 0.482 246 A N 1.472 124.111 122.820 -0.302 0.000 2.406 246 A HA 0.071 4.391 4.320 -0.000 0.000 0.243 246 A C 0.559 178.024 177.584 -0.198 0.000 1.082 246 A CA -0.211 51.675 52.037 -0.253 0.000 0.786 246 A CB -0.064 18.764 19.000 -0.286 0.000 1.029 246 A HN 0.153 nan 8.150 nan 0.000 0.495 247 N N 1.552 120.166 118.700 -0.143 0.000 3.103 247 N HA 0.164 4.904 4.740 -0.000 0.000 0.305 247 N C 0.410 175.834 175.510 -0.143 0.000 1.232 247 N CA -0.209 52.777 53.050 -0.107 0.000 1.190 247 N CB -0.245 38.205 38.487 -0.061 0.000 1.461 247 N HN 0.624 nan 8.380 nan 0.000 0.538 248 L N 0.378 121.454 121.223 -0.244 0.000 2.298 248 L HA 0.209 4.549 4.340 -0.000 0.000 0.209 248 L C 1.559 178.328 176.870 -0.169 0.000 1.084 248 L CA 0.494 55.094 54.840 -0.401 0.000 0.816 248 L CB 0.061 41.500 42.059 -1.034 0.000 0.967 248 L HN 0.508 nan 8.230 nan 0.000 0.460 249 G N -1.226 107.551 108.800 -0.040 0.000 2.147 249 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.244 249 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.244 249 G C -0.307 174.788 174.900 0.325 0.000 1.005 249 G CA -0.377 44.801 45.100 0.129 0.000 0.713 249 G HN 0.082 nan 8.290 nan 0.000 0.515 250 W N 1.116 122.462 121.300 0.078 0.000 2.332 250 W HA 0.725 5.385 4.660 -0.000 0.000 0.351 250 W C 1.176 177.750 176.519 0.092 0.000 1.195 250 W CA -0.920 56.470 57.345 0.075 0.000 1.334 250 W CB 0.603 30.106 29.460 0.072 0.000 1.206 250 W HN 0.552 nan 8.180 nan 0.000 0.637 251 S N 0.132 116.026 115.700 0.324 0.000 2.624 251 S HA 0.004 4.474 4.470 -0.000 0.000 0.263 251 S C 0.636 175.415 174.600 0.299 0.000 1.287 251 S CA -0.390 57.976 58.200 0.277 0.000 0.990 251 S CB 0.744 64.081 63.200 0.228 0.000 0.950 251 S HN 0.592 nan 8.310 nan 0.000 0.561 252 W N 1.235 122.623 121.300 0.147 0.000 2.338 252 W HA -0.096 4.564 4.660 -0.000 0.000 0.304 252 W C 2.222 178.809 176.519 0.114 0.000 1.212 252 W CA 1.856 59.278 57.345 0.127 0.000 1.264 252 W CB -0.393 29.127 29.460 0.099 0.000 1.142 252 W HN 0.954 nan 8.180 nan 0.000 0.512 253 E N 0.336 120.768 120.200 0.388 0.000 2.058 253 E HA -0.255 4.095 4.350 -0.000 0.000 0.194 253 E C 1.979 178.566 176.600 -0.022 0.000 0.997 253 E CA 2.350 58.873 56.400 0.205 0.000 0.801 253 E CB -0.327 29.503 29.700 0.216 0.000 0.746 253 E HN 0.406 nan 8.360 nan 0.000 0.450 254 E N -0.084 120.126 120.200 0.017 0.000 2.031 254 E HA -0.194 4.156 4.350 -0.000 0.000 0.193 254 E C 2.283 178.911 176.600 0.046 0.000 0.994 254 E CA 1.208 57.571 56.400 -0.061 0.000 0.800 254 E CB -0.227 29.413 29.700 -0.101 0.000 0.752 254 E HN 0.251 nan 8.360 nan 0.000 0.447 255 L N 0.783 122.122 121.223 0.194 0.000 2.042 255 L HA -0.210 4.130 4.340 -0.000 0.000 0.210 255 L C 2.635 179.454 176.870 -0.085 0.000 1.076 255 L CA 1.351 56.328 54.840 0.227 0.000 0.749 255 L CB -0.689 41.445 42.059 0.126 0.000 0.893 255 L HN 0.187 nan 8.230 nan 0.000 0.432 256 T N -0.340 113.988 114.554 -0.376 0.000 2.746 256 T HA -0.183 4.167 4.350 -0.000 0.000 0.267 256 T C 1.855 176.362 174.700 -0.323 0.000 1.039 256 T CA 1.670 63.469 62.100 -0.502 0.000 1.142 256 T CB -0.213 68.063 68.868 -0.986 0.000 0.866 256 T HN 0.460 nan 8.240 nan 0.000 0.444 257 R N 1.284 121.621 120.500 -0.270 0.000 2.189 257 R HA 0.291 4.631 4.340 -0.000 0.000 0.218 257 R C 2.348 178.465 176.300 -0.305 0.000 1.074 257 R CA 1.115 57.072 56.100 -0.238 0.000 0.991 257 R CB -0.311 29.877 30.300 -0.187 0.000 0.883 257 R HN 0.307 nan 8.270 nan 0.000 0.457 258 A N 0.789 123.356 122.820 -0.421 0.000 1.984 258 A HA 0.180 4.500 4.320 -0.000 0.000 0.214 258 A C 0.181 177.297 177.584 -0.781 0.000 1.173 258 A CA 0.202 51.845 52.037 -0.657 0.000 0.673 258 A CB 0.128 18.586 19.000 -0.903 0.000 0.830 258 A HN 0.303 nan 8.150 nan 0.000 0.453 259 F N 1.214 121.104 119.950 -0.100 0.000 2.449 259 F HA 0.317 4.844 4.527 -0.000 0.000 0.329 259 F C -2.488 173.153 175.800 -0.266 0.000 1.245 259 F CA -3.644 54.242 58.000 -0.190 0.000 1.193 259 F CB 0.407 39.261 39.000 -0.243 0.000 1.425 259 F HN -0.007 nan 8.300 nan 0.000 0.544 260 P HA 0.014 nan 4.420 nan 0.000 0.265 260 P C -0.135 177.129 177.300 -0.060 0.000 1.187 260 P CA 0.393 63.405 63.100 -0.145 0.000 0.766 260 P CB 1.686 33.268 31.700 -0.197 0.000 0.820 261 S N 2.464 118.139 115.700 -0.042 0.000 2.572 261 S HA 0.552 5.022 4.470 -0.000 0.000 0.274 261 S C -2.476 172.132 174.600 0.015 0.000 1.150 261 S CA -1.142 57.053 58.200 -0.008 0.000 0.944 261 S CB 0.764 63.841 63.200 -0.205 0.000 1.071 261 S HN 0.356 nan 8.310 nan 0.000 0.479 262 P HA 0.599 nan 4.420 nan 0.000 0.277 262 P C -1.028 176.454 177.300 0.304 0.000 1.271 262 P CA -0.361 62.855 63.100 0.193 0.000 0.795 262 P CB 0.385 32.158 31.700 0.122 0.000 1.101 263 F N -2.686 117.331 119.950 0.112 0.000 2.664 263 F HA 0.609 5.136 4.527 -0.000 0.000 0.317 263 F C -0.926 174.998 175.800 0.207 0.000 1.108 263 F CA -1.472 56.612 58.000 0.141 0.000 0.957 263 F CB 0.480 39.600 39.000 0.199 0.000 1.365 263 F HN 0.104 nan 8.300 nan 0.000 0.475 264 S N 1.973 117.633 115.700 -0.068 0.000 2.465 264 S HA 0.404 4.874 4.470 -0.000 0.000 0.279 264 S C -0.522 173.855 174.600 -0.372 0.000 1.201 264 S CA -0.425 57.682 58.200 -0.155 0.000 1.053 264 S CB 0.837 64.056 63.200 0.032 0.000 0.953 264 S HN 0.645 nan 8.310 nan 0.000 0.488 265 L N 5.892 126.832 121.223 -0.471 0.000 2.536 265 L HA 0.265 4.605 4.340 -0.000 0.000 0.282 265 L C 0.582 177.363 176.870 -0.148 0.000 1.174 265 L CA 0.597 55.167 54.840 -0.449 0.000 0.989 265 L CB -1.091 40.593 42.059 -0.625 0.000 1.311 265 L HN 0.823 nan 8.230 nan 0.000 0.455 266 T N -0.269 114.259 114.554 -0.043 0.000 2.887 266 T HA 0.431 4.781 4.350 -0.000 0.000 0.292 266 T C 1.119 175.785 174.700 -0.056 0.000 1.087 266 T CA -0.468 61.614 62.100 -0.030 0.000 1.009 266 T CB 1.095 69.965 68.868 0.004 0.000 1.203 266 T HN -0.042 nan 8.240 nan 0.000 0.518 267 V N 0.889 120.727 119.914 -0.127 0.000 2.343 267 V HA -0.105 4.015 4.120 -0.000 0.000 0.247 267 V C 2.536 178.507 176.094 -0.205 0.000 1.051 267 V CA 2.499 64.698 62.300 -0.168 0.000 1.036 267 V CB -1.058 30.625 31.823 -0.235 0.000 0.654 267 V HN 1.092 nan 8.190 nan 0.000 0.451 268 D N 0.447 120.675 120.400 -0.286 0.000 2.117 268 D HA -0.160 4.479 4.640 -0.000 0.000 0.197 268 D C 2.093 178.424 176.300 0.052 0.000 0.987 268 D CA 1.566 55.473 54.000 -0.154 0.000 0.829 268 D CB -0.154 40.627 40.800 -0.032 0.000 0.961 268 D HN 0.365 nan 8.370 nan 0.000 0.460 269 A N 0.639 123.476 122.820 0.028 0.000 1.865 269 A HA -0.009 4.311 4.320 -0.000 0.000 0.217 269 A C 2.458 179.897 177.584 -0.241 0.000 1.191 269 A CA 2.532 54.472 52.037 -0.161 0.000 0.623 269 A CB -1.325 17.737 19.000 0.104 0.000 0.826 269 A HN 0.359 nan 8.150 nan 0.000 0.444 270 A N -0.640 122.136 122.820 -0.073 0.000 1.883 270 A HA -0.022 4.298 4.320 -0.000 0.000 0.217 270 A C 2.263 179.920 177.584 0.122 0.000 1.186 270 A CA 1.965 54.007 52.037 0.009 0.000 0.624 270 A CB -1.044 17.955 19.000 -0.001 0.000 0.822 270 A HN 0.439 nan 8.150 nan 0.000 0.444 271 V N 0.001 119.967 119.914 0.087 0.000 2.261 271 V HA -0.270 3.850 4.120 -0.000 0.000 0.246 271 V C 2.746 178.971 176.094 0.218 0.000 1.047 271 V CA 2.044 64.446 62.300 0.170 0.000 1.015 271 V CB -0.863 31.130 31.823 0.285 0.000 0.642 271 V HN 0.532 nan 8.190 nan 0.000 0.446 272 Q N 0.005 119.915 119.800 0.183 0.000 2.096 272 Q HA -0.251 4.089 4.340 -0.000 0.000 0.204 272 Q C 2.281 178.370 176.000 0.148 0.000 0.982 272 Q CA 1.782 57.697 55.803 0.186 0.000 0.850 272 Q CB -0.520 28.367 28.738 0.249 0.000 0.901 272 Q HN 0.725 nan 8.270 nan 0.000 0.422 273 Q N -0.614 119.193 119.800 0.012 0.000 2.135 273 Q HA -0.197 4.143 4.340 -0.000 0.000 0.204 273 Q C 1.869 178.023 176.000 0.256 0.000 0.981 273 Q CA 1.434 57.279 55.803 0.070 0.000 0.856 273 Q CB -0.207 28.430 28.738 -0.167 0.000 0.902 273 Q HN 0.556 nan 8.270 nan 0.000 0.425 274 H N -0.016 119.166 119.070 0.188 0.000 2.363 274 H HA -0.005 4.551 4.556 -0.000 0.000 0.301 274 H C 1.869 177.290 175.328 0.155 0.000 1.074 274 H CA 1.025 57.191 56.048 0.197 0.000 1.354 274 H CB -0.018 29.833 29.762 0.148 0.000 1.397 274 H HN 0.103 nan 8.280 nan 0.000 0.516 275 L N -0.314 121.063 121.223 0.257 0.000 2.191 275 L HA -0.163 4.177 4.340 -0.000 0.000 0.212 275 L C 2.039 178.998 176.870 0.150 0.000 1.103 275 L CA 0.910 55.857 54.840 0.178 0.000 0.769 275 L CB -0.319 41.835 42.059 0.159 0.000 0.908 275 L HN 0.363 nan 8.230 nan 0.000 0.438 276 M N -1.306 118.404 119.600 0.184 0.000 2.374 276 M HA -0.090 4.390 4.480 -0.000 0.000 0.264 276 M C 0.409 176.813 176.300 0.175 0.000 1.067 276 M CA 0.882 56.287 55.300 0.176 0.000 1.103 276 M CB 0.014 32.759 32.600 0.241 0.000 1.402 276 M HN 0.141 nan 8.290 nan 0.000 0.444 277 M N 1.158 120.846 119.600 0.146 0.000 2.146 277 M HA 0.144 4.624 4.480 -0.000 0.000 0.357 277 M C 0.092 176.430 176.300 0.065 0.000 1.261 277 M CA -0.055 55.295 55.300 0.083 0.000 1.106 277 M CB 0.481 33.025 32.600 -0.094 0.000 1.612 277 M HN 0.087 nan 8.290 nan 0.000 0.470 278 E N 1.121 121.361 120.200 0.066 0.000 2.384 278 E HA 0.322 4.672 4.350 -0.000 0.000 0.266 278 E C 0.958 177.584 176.600 0.042 0.000 1.012 278 E CA 0.864 57.294 56.400 0.051 0.000 0.901 278 E CB 0.462 30.190 29.700 0.047 0.000 0.967 278 E HN 0.911 nan 8.360 nan 0.000 0.435 279 G N 2.619 111.444 108.800 0.040 0.000 2.175 279 G HA2 -0.234 3.725 3.960 -0.000 0.000 0.244 279 G HA3 -0.234 3.725 3.960 -0.000 0.000 0.244 279 G C -0.116 174.807 174.900 0.038 0.000 0.982 279 G CA 0.094 45.215 45.100 0.034 0.000 0.641 279 G HN 0.497 nan 8.290 nan 0.000 0.527 280 V N 3.457 123.402 119.914 0.051 0.000 2.294 280 V HA 0.460 4.580 4.120 -0.000 0.000 0.272 280 V C -1.376 174.764 176.094 0.077 0.000 1.027 280 V CA -1.349 60.996 62.300 0.074 0.000 0.823 280 V CB 1.426 33.310 31.823 0.102 0.000 1.030 280 V HN 0.294 nan 8.190 nan 0.000 0.457 281 P HA 0.171 nan 4.420 nan 0.000 0.276 281 P C 0.983 178.326 177.300 0.072 0.000 1.230 281 P CA -0.129 63.003 63.100 0.054 0.000 0.776 281 P CB 1.592 33.312 31.700 0.033 0.000 0.888 282 S N 2.739 118.479 115.700 0.067 0.000 2.382 282 S HA -0.183 4.287 4.470 -0.000 0.000 0.228 282 S C 1.930 176.577 174.600 0.079 0.000 1.027 282 S CA 1.001 59.246 58.200 0.075 0.000 0.991 282 S CB -1.254 61.980 63.200 0.057 0.000 0.823 282 S HN 0.515 nan 8.310 nan 0.000 0.469 283 A N 1.865 124.725 122.820 0.067 0.000 2.076 283 A HA -0.022 4.298 4.320 -0.000 0.000 0.220 283 A C 2.168 179.833 177.584 0.135 0.000 1.160 283 A CA 1.379 53.465 52.037 0.082 0.000 0.653 283 A CB -0.467 18.564 19.000 0.051 0.000 0.801 283 A HN 0.631 nan 8.150 nan 0.000 0.455 284 K N -0.839 119.627 120.400 0.110 0.000 2.426 284 K HA 0.252 4.572 4.320 -0.000 0.000 0.193 284 K C -0.327 176.405 176.600 0.220 0.000 1.028 284 K CA 0.017 56.390 56.287 0.143 0.000 1.047 284 K CB 0.169 32.699 32.500 0.051 0.000 0.821 284 K HN 0.458 nan 8.250 nan 0.000 0.513 285 I N 1.990 122.654 120.570 0.156 0.000 2.352 285 I HA 0.060 4.230 4.170 -0.000 0.000 0.290 285 I C -0.390 175.779 176.117 0.087 0.000 1.036 285 I CA -0.530 60.833 61.300 0.106 0.000 1.336 285 I CB 1.291 39.340 38.000 0.081 0.000 1.407 285 I HN -0.281 nan 8.210 nan 0.000 0.497 286 V N 7.583 127.525 119.914 0.046 0.000 2.448 286 V HA 0.319 4.439 4.120 -0.000 0.000 0.295 286 V C 0.088 176.195 176.094 0.022 0.000 1.025 286 V CA -0.687 61.610 62.300 -0.006 0.000 0.859 286 V CB 1.811 33.567 31.823 -0.112 0.000 0.988 286 V HN 0.693 nan 8.190 nan 0.000 0.431 287 M N 4.561 124.198 119.600 0.061 0.000 2.105 287 M HA 0.529 5.008 4.480 -0.000 0.000 0.350 287 M C 0.500 176.869 176.300 0.115 0.000 1.308 287 M CA -0.147 55.200 55.300 0.077 0.000 1.108 287 M CB 0.511 33.181 32.600 0.117 0.000 1.622 287 M HN 0.787 nan 8.290 nan 0.000 0.468 288 G N 4.082 112.956 108.800 0.123 0.000 2.444 288 G HA2 0.536 4.496 3.960 -0.000 0.000 0.268 288 G HA3 0.536 4.496 3.960 -0.000 0.000 0.268 288 G C -0.818 174.340 174.900 0.431 0.000 1.203 288 G CA -0.523 44.761 45.100 0.307 0.000 0.835 288 G HN 0.843 nan 8.290 nan 0.000 0.543 289 V N -0.684 119.533 119.914 0.505 0.000 3.007 289 V HA 0.875 4.995 4.120 -0.000 0.000 0.311 289 V C -2.737 173.538 176.094 0.301 0.000 1.120 289 V CA -2.612 59.936 62.300 0.413 0.000 0.980 289 V CB 2.609 34.509 31.823 0.129 0.000 1.033 289 V HN 0.669 nan 8.190 nan 0.000 0.429 290 P HA 0.494 nan 4.420 nan 0.000 0.293 290 P C -0.929 176.561 177.300 0.317 0.000 1.291 290 P CA -0.346 62.670 63.100 -0.140 0.000 0.867 290 P CB 1.631 32.883 31.700 -0.747 0.000 1.074 291 F N 1.857 121.829 119.950 0.036 0.000 2.750 291 F HA 0.267 4.794 4.527 -0.000 0.000 0.297 291 F C 0.215 176.089 175.800 0.124 0.000 1.138 291 F CA -0.514 57.520 58.000 0.057 0.000 1.346 291 F CB -0.528 38.481 39.000 0.015 0.000 0.965 291 F HN 0.234 nan 8.300 nan 0.000 0.514 292 Y N -2.615 117.825 120.300 0.232 0.000 2.615 292 Y HA 0.867 5.417 4.550 -0.000 0.000 0.341 292 Y C -0.201 175.790 175.900 0.152 0.000 1.089 292 Y CA -2.334 55.848 58.100 0.136 0.000 1.049 292 Y CB 0.882 39.401 38.460 0.098 0.000 1.296 292 Y HN -0.101 nan 8.280 nan 0.000 0.470 293 G N 0.948 109.853 108.800 0.176 0.000 2.473 293 G HA2 0.697 4.657 3.960 -0.000 0.000 0.321 293 G HA3 0.697 4.657 3.960 -0.000 0.000 0.321 293 G C -1.570 173.436 174.900 0.177 0.000 1.200 293 G CA -1.548 43.627 45.100 0.125 0.000 0.963 293 G HN 0.661 nan 8.290 nan 0.000 0.483 294 R N -0.105 120.484 120.500 0.148 0.000 2.445 294 R HA 0.617 4.957 4.340 -0.000 0.000 0.308 294 R C -0.328 176.002 176.300 0.050 0.000 0.961 294 R CA -0.462 55.683 56.100 0.074 0.000 0.862 294 R CB 2.032 32.373 30.300 0.068 0.000 1.144 294 R HN 0.609 nan 8.270 nan 0.000 0.447 295 A N 3.601 126.392 122.820 -0.049 0.000 2.317 295 A HA 0.710 5.030 4.320 -0.000 0.000 0.327 295 A C -1.085 176.561 177.584 0.104 0.000 1.178 295 A CA -0.442 51.675 52.037 0.134 0.000 0.817 295 A CB 0.516 19.595 19.000 0.132 0.000 1.189 295 A HN 0.555 nan 8.150 nan 0.000 0.489 296 F N 1.028 121.146 119.950 0.280 0.000 2.546 296 F HA 0.579 5.106 4.527 -0.000 0.000 0.320 296 F C 0.590 176.378 175.800 -0.019 0.000 1.076 296 F CA -0.527 57.522 58.000 0.081 0.000 0.928 296 F CB 2.321 41.308 39.000 -0.022 0.000 1.189 296 F HN 0.712 nan 8.300 nan 0.000 0.465 297 K N -0.300 119.944 120.400 -0.261 0.000 2.313 297 K HA 0.793 5.113 4.320 -0.000 0.000 0.235 297 K C 0.510 177.013 176.600 -0.161 0.000 1.035 297 K CA -0.638 55.381 56.287 -0.446 0.000 0.868 297 K CB 1.737 33.425 32.500 -1.354 0.000 1.232 297 K HN 0.841 nan 8.250 nan 0.000 0.459 298 G N 0.007 108.724 108.800 -0.139 0.000 2.283 298 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.280 298 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.280 298 G C 0.063 174.979 174.900 0.027 0.000 1.029 298 G CA 0.401 45.467 45.100 -0.056 0.000 0.840 298 G HN 0.928 nan 8.290 nan 0.000 0.505 299 V N -2.492 117.470 119.914 0.081 0.000 2.785 299 V HA 0.838 4.958 4.120 -0.000 0.000 0.300 299 V C 0.599 176.754 176.094 0.101 0.000 1.062 299 V CA -0.214 62.144 62.300 0.097 0.000 1.029 299 V CB 1.800 33.706 31.823 0.139 0.000 1.024 299 V HN 0.482 nan 8.190 nan 0.000 0.477 300 S N 2.829 118.558 115.700 0.048 0.000 2.499 300 S HA 0.619 5.089 4.470 -0.000 0.000 0.279 300 S C 0.645 175.282 174.600 0.063 0.000 1.219 300 S CA 0.100 58.329 58.200 0.048 0.000 1.062 300 S CB 1.046 64.246 63.200 -0.001 0.000 0.978 300 S HN 1.394 nan 8.310 nan 0.000 0.489 301 G N 0.990 109.868 108.800 0.130 0.000 2.683 301 G HA2 0.463 4.422 3.960 -0.000 0.000 0.260 301 G HA3 0.463 4.422 3.960 -0.000 0.000 0.260 301 G C 0.996 175.865 174.900 -0.051 0.000 1.238 301 G CA 0.032 45.186 45.100 0.090 0.000 0.934 301 G HN 1.309 nan 8.290 nan 0.000 0.534 302 G N -1.086 107.643 108.800 -0.119 0.000 2.481 302 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.200 302 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.200 302 G C 0.465 175.294 174.900 -0.118 0.000 1.012 302 G CA 0.499 45.546 45.100 -0.088 0.000 0.676 302 G HN 1.066 nan 8.290 nan 0.000 0.488 303 N N -0.103 118.479 118.700 -0.197 0.000 2.622 303 N HA 0.419 5.158 4.740 -0.000 0.000 0.293 303 N C 1.252 176.633 175.510 -0.214 0.000 1.788 303 N CA 0.623 53.571 53.050 -0.170 0.000 0.860 303 N CB -0.094 38.299 38.487 -0.156 0.000 1.388 303 N HN 1.321 nan 8.380 nan 0.000 0.496 304 G N 0.181 108.797 108.800 -0.306 0.000 2.189 304 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.267 304 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.267 304 G C 0.843 175.591 174.900 -0.254 0.000 0.975 304 G CA 0.276 45.255 45.100 -0.201 0.000 0.644 304 G HN 1.114 nan 8.290 nan 0.000 0.537 305 G N -1.548 107.011 108.800 -0.401 0.000 2.179 305 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.220 305 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.220 305 G C 0.194 174.626 174.900 -0.779 0.000 0.990 305 G CA 0.819 45.779 45.100 -0.232 0.000 0.646 305 G HN 1.211 nan 8.290 nan 0.000 0.517 306 Q N -0.599 118.642 119.800 -0.931 0.000 2.352 306 Q HA 0.486 4.826 4.340 -0.000 0.000 0.260 306 Q C 0.424 175.724 176.000 -1.165 0.000 0.976 306 Q CA -0.398 54.478 55.803 -1.545 0.000 0.881 306 Q CB 0.353 28.007 28.738 -1.806 0.000 1.235 306 Q HN 0.668 nan 8.270 nan 0.000 0.419 307 Y N -1.407 118.500 120.300 -0.655 0.000 3.689 307 Y HA -0.256 4.294 4.550 -0.000 0.000 0.221 307 Y C -0.057 175.651 175.900 -0.320 0.000 1.247 307 Y CA 0.682 58.535 58.100 -0.412 0.000 1.671 307 Y CB -2.402 35.884 38.460 -0.291 0.000 1.521 307 Y HN 0.530 nan 8.280 nan 0.000 0.632 308 S N -0.087 115.450 115.700 -0.271 0.000 2.568 308 S HA 0.811 5.280 4.470 -0.000 0.000 0.302 308 S C 0.376 174.918 174.600 -0.096 0.000 1.082 308 S CA -0.093 58.007 58.200 -0.166 0.000 1.009 308 S CB 1.535 64.630 63.200 -0.176 0.000 1.069 308 S HN 0.673 nan 8.310 nan 0.000 0.500 309 S N 1.751 117.415 115.700 -0.060 0.000 2.584 309 S HA 0.509 4.979 4.470 -0.000 0.000 0.270 309 S C -0.234 174.364 174.600 -0.002 0.000 1.346 309 S CA -0.058 58.105 58.200 -0.061 0.000 1.018 309 S CB -0.117 63.030 63.200 -0.088 0.000 0.899 309 S HN 1.124 nan 8.310 nan 0.000 0.542 310 H N -2.084 116.968 119.070 -0.031 0.000 2.966 310 H HA 0.701 5.257 4.556 -0.000 0.000 0.330 310 H C -0.683 174.635 175.328 -0.018 0.000 1.292 310 H CA -0.553 55.491 56.048 -0.007 0.000 1.127 310 H CB 0.968 30.785 29.762 0.092 0.000 1.863 310 H HN 0.556 nan 8.280 nan 0.000 0.543 311 S N -0.317 115.399 115.700 0.026 0.000 2.592 311 S HA 0.262 4.732 4.470 -0.000 0.000 0.243 311 S C -0.665 173.951 174.600 0.027 0.000 1.160 311 S CA -0.566 57.603 58.200 -0.051 0.000 1.145 311 S CB -0.734 62.410 63.200 -0.094 0.000 0.909 311 S HN 0.652 nan 8.310 nan 0.000 0.487 312 T N 4.362 119.119 114.554 0.338 0.000 2.780 312 T HA 0.404 4.754 4.350 -0.000 0.000 0.294 312 T C -2.792 172.051 174.700 0.239 0.000 0.949 312 T CA -1.291 60.936 62.100 0.212 0.000 1.074 312 T CB 0.787 69.725 68.868 0.116 0.000 0.910 312 T HN 0.141 nan 8.240 nan 0.000 0.501 313 P HA 0.194 nan 4.420 nan 0.000 0.265 313 P C 0.920 178.364 177.300 0.240 0.000 1.222 313 P CA -0.057 63.181 63.100 0.231 0.000 0.767 313 P CB 0.368 32.224 31.700 0.260 0.000 0.801 314 G N 2.810 111.732 108.800 0.204 0.000 2.880 314 G HA2 -0.056 3.904 3.960 -0.000 0.000 0.209 314 G HA3 -0.056 3.904 3.960 -0.000 0.000 0.209 314 G C 0.522 175.565 174.900 0.238 0.000 1.157 314 G CA 0.062 45.298 45.100 0.227 0.000 0.779 314 G HN 0.370 nan 8.290 nan 0.000 0.539 315 E N 0.511 120.822 120.200 0.186 0.000 2.392 315 E HA 0.253 4.603 4.350 -0.000 0.000 0.259 315 E C -1.140 175.558 176.600 0.164 0.000 1.108 315 E CA 0.032 56.525 56.400 0.154 0.000 0.916 315 E CB 1.421 31.182 29.700 0.102 0.000 0.989 315 E HN 0.167 nan 8.360 nan 0.000 0.432 316 D N 1.361 121.845 120.400 0.141 0.000 2.787 316 D HA 0.314 4.954 4.640 -0.000 0.000 0.246 316 D C -2.156 174.213 176.300 0.114 0.000 1.150 316 D CA -1.274 52.805 54.000 0.131 0.000 0.864 316 D CB 1.129 41.998 40.800 0.115 0.000 1.481 316 D HN 0.153 nan 8.370 nan 0.000 0.509 317 P HA 0.073 nan 4.420 nan 0.000 0.275 317 P C -0.737 176.656 177.300 0.154 0.000 1.270 317 P CA -0.413 62.753 63.100 0.109 0.000 0.791 317 P CB 0.345 32.093 31.700 0.080 0.000 1.089 318 Y N 1.452 121.785 120.300 0.056 0.000 2.650 318 Y HA 0.124 4.674 4.550 -0.000 0.000 0.342 318 Y C -1.501 174.445 175.900 0.077 0.000 1.110 318 Y CA -1.684 56.463 58.100 0.079 0.000 1.438 318 Y CB 0.125 38.638 38.460 0.089 0.000 1.181 318 Y HN 0.196 nan 8.280 nan 0.000 0.526 319 P HA 0.183 nan 4.420 nan 0.000 0.237 319 P C -1.158 175.883 177.300 -0.431 0.000 1.723 319 P CA 0.445 63.385 63.100 -0.266 0.000 0.882 319 P CB 0.242 31.854 31.700 -0.145 0.000 1.810 320 S N -1.398 113.939 115.700 -0.604 0.000 2.615 320 S HA 0.366 4.836 4.470 -0.000 0.000 0.268 320 S C 0.409 174.880 174.600 -0.214 0.000 1.146 320 S CA -0.503 57.422 58.200 -0.459 0.000 0.818 320 S CB 1.176 64.015 63.200 -0.602 0.000 1.111 320 S HN 0.220 nan 8.310 nan 0.000 0.465 321 T N -2.402 112.024 114.554 -0.213 0.000 3.084 321 T HA 0.249 4.599 4.350 -0.000 0.000 0.270 321 T C -0.297 173.926 174.700 -0.795 0.000 1.008 321 T CA -0.054 61.815 62.100 -0.385 0.000 0.900 321 T CB -0.149 68.612 68.868 -0.178 0.000 1.084 321 T HN 0.401 nan 8.240 nan 0.000 0.538 322 D N 1.782 121.960 120.400 -0.370 0.000 2.352 322 D HA 0.141 4.781 4.640 -0.000 0.000 0.245 322 D C -1.187 175.014 176.300 -0.164 0.000 1.224 322 D CA -0.578 53.312 54.000 -0.183 0.000 0.879 322 D CB 0.021 40.898 40.800 0.128 0.000 1.057 322 D HN 0.322 nan 8.370 nan 0.000 0.491 323 Y N 4.921 125.255 120.300 0.056 0.000 2.804 323 Y HA 0.173 4.723 4.550 -0.000 0.000 0.330 323 Y C 0.821 176.611 175.900 -0.184 0.000 1.092 323 Y CA -1.201 56.771 58.100 -0.214 0.000 1.315 323 Y CB -0.048 38.303 38.460 -0.182 0.000 1.188 323 Y HN 0.514 nan 8.280 nan 0.000 0.512 324 W N 0.849 122.194 121.300 0.074 0.000 2.937 324 W HA 0.139 4.799 4.660 -0.000 0.000 0.245 324 W C -0.373 176.137 176.519 -0.016 0.000 1.306 324 W CA -0.398 56.956 57.345 0.016 0.000 1.470 324 W CB -0.115 29.351 29.460 0.010 0.000 1.132 324 W HN 0.332 nan 8.180 nan 0.000 0.675 325 L N 3.201 124.273 121.223 -0.252 0.000 2.454 325 L HA 0.216 4.555 4.340 -0.000 0.000 0.284 325 L C 0.197 177.039 176.870 -0.047 0.000 1.139 325 L CA -0.743 54.025 54.840 -0.121 0.000 0.911 325 L CB 0.155 41.993 42.059 -0.367 0.000 1.262 325 L HN -0.231 nan 8.230 nan 0.000 0.453 326 V N 6.116 126.064 119.914 0.058 0.000 2.557 326 V HA 0.282 4.402 4.120 -0.000 0.000 0.301 326 V C 1.516 177.543 176.094 -0.113 0.000 1.026 326 V CA 0.945 63.256 62.300 0.019 0.000 1.137 326 V CB 0.026 31.854 31.823 0.009 0.000 0.917 326 V HN 1.065 nan 8.190 nan 0.000 0.484 327 G N 3.153 111.748 108.800 -0.342 0.000 2.176 327 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.253 327 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.253 327 G C 0.373 174.952 174.900 -0.536 0.000 0.979 327 G CA 0.002 44.553 45.100 -0.915 0.000 0.641 327 G HN 1.029 nan 8.290 nan 0.000 0.530 328 C N 1.569 120.673 119.300 -0.326 0.000 2.176 328 C HA 0.712 5.172 4.460 -0.000 0.000 0.329 328 C C 1.719 176.572 174.990 -0.227 0.000 1.113 328 C CA -0.157 58.693 59.018 -0.280 0.000 1.562 328 C CB -0.368 27.201 27.740 -0.285 0.000 2.040 328 C HN 0.465 nan 8.230 nan 0.000 0.460 329 E N 1.078 121.166 120.200 -0.186 0.000 2.106 329 E HA -0.174 4.176 4.350 -0.000 0.000 0.192 329 E C 1.980 178.474 176.600 -0.176 0.000 0.984 329 E CA 1.230 57.541 56.400 -0.149 0.000 0.806 329 E CB -0.107 29.535 29.700 -0.097 0.000 0.750 329 E HN 0.909 nan 8.360 nan 0.000 0.458 330 E N 0.202 120.298 120.200 -0.173 0.000 2.085 330 E HA -0.237 4.113 4.350 -0.000 0.000 0.194 330 E C 1.530 177.994 176.600 -0.226 0.000 0.994 330 E CA 1.589 57.890 56.400 -0.166 0.000 0.801 330 E CB -0.118 29.495 29.700 -0.145 0.000 0.743 330 E HN 0.315 nan 8.360 nan 0.000 0.453 331 C N 0.086 119.214 119.300 -0.286 0.000 2.429 331 C HA -0.091 4.369 4.460 -0.000 0.000 0.277 331 C C 2.685 177.328 174.990 -0.578 0.000 1.262 331 C CA 0.534 59.319 59.018 -0.387 0.000 1.733 331 C CB -0.799 26.694 27.740 -0.411 0.000 2.010 331 C HN 0.355 nan 8.230 nan 0.000 0.483 332 V N 1.123 120.690 119.914 -0.578 0.000 2.307 332 V HA -0.193 3.927 4.120 -0.000 0.000 0.245 332 V C 2.701 178.470 176.094 -0.543 0.000 1.045 332 V CA 2.108 63.909 62.300 -0.831 0.000 1.024 332 V CB -0.774 30.814 31.823 -0.392 0.000 0.651 332 V HN 0.531 nan 8.190 nan 0.000 0.449 333 R N 0.579 120.894 120.500 -0.309 0.000 2.094 333 R HA -0.211 4.129 4.340 -0.000 0.000 0.239 333 R C 1.545 177.741 176.300 -0.173 0.000 1.137 333 R CA 2.327 58.315 56.100 -0.186 0.000 0.943 333 R CB -0.366 29.858 30.300 -0.125 0.000 0.850 333 R HN 0.486 nan 8.270 nan 0.000 0.433 334 D N 0.452 120.735 120.400 -0.196 0.000 2.328 334 D HA 0.025 4.665 4.640 -0.000 0.000 0.221 334 D C -0.198 176.007 176.300 -0.158 0.000 1.072 334 D CA 0.249 54.167 54.000 -0.136 0.000 0.850 334 D CB 0.283 41.022 40.800 -0.102 0.000 0.922 334 D HN 0.246 nan 8.370 nan 0.000 0.516 335 K N 1.147 121.365 120.400 -0.303 0.000 3.096 335 K HA -0.170 4.150 4.320 -0.000 0.000 0.266 335 K C -0.529 176.045 176.600 -0.043 0.000 1.043 335 K CA 0.554 56.699 56.287 -0.238 0.000 0.758 335 K CB -1.120 31.418 32.500 0.063 0.000 1.260 335 K HN 0.124 nan 8.250 nan 0.000 0.481 336 D N -0.698 119.531 120.400 -0.285 0.000 2.688 336 D HA 0.103 4.743 4.640 -0.000 0.000 0.210 336 D C -2.428 173.540 176.300 -0.553 0.000 1.333 336 D CA -1.433 52.335 54.000 -0.386 0.000 0.920 336 D CB 1.646 42.310 40.800 -0.226 0.000 1.554 336 D HN -0.136 nan 8.370 nan 0.000 0.579 337 P HA 0.175 nan 4.420 nan 0.000 0.255 337 P C 0.690 177.419 177.300 -0.952 0.000 1.248 337 P CA -0.015 62.457 63.100 -1.046 0.000 0.807 337 P CB 0.493 31.126 31.700 -1.777 0.000 1.150 338 R N -0.792 119.349 120.500 -0.598 0.000 2.276 338 R HA 0.226 4.566 4.340 -0.000 0.000 0.196 338 R C 0.598 176.771 176.300 -0.211 0.000 0.961 338 R CA 0.360 56.279 56.100 -0.301 0.000 1.024 338 R CB 0.247 30.435 30.300 -0.187 0.000 0.940 338 R HN 0.160 nan 8.270 nan 0.000 0.480 339 I N 0.203 120.649 120.570 -0.207 0.000 2.582 339 I HA 0.488 4.657 4.170 -0.000 0.000 0.292 339 I C -0.877 175.173 176.117 -0.110 0.000 1.066 339 I CA -1.061 60.184 61.300 -0.092 0.000 1.053 339 I CB 1.916 39.857 38.000 -0.098 0.000 1.241 339 I HN -0.101 nan 8.210 nan 0.000 0.421 340 A N 3.919 126.719 122.820 -0.034 0.000 2.488 340 A HA 0.673 4.993 4.320 -0.000 0.000 0.298 340 A C -0.185 177.396 177.584 -0.005 0.000 1.044 340 A CA -0.511 51.473 52.037 -0.088 0.000 0.693 340 A CB 1.579 20.467 19.000 -0.187 0.000 1.272 340 A HN 0.756 nan 8.150 nan 0.000 0.402 341 S N 1.359 117.041 115.700 -0.030 0.000 2.579 341 S HA 0.215 4.685 4.470 -0.000 0.000 0.275 341 S C 0.872 175.448 174.600 -0.041 0.000 1.345 341 S CA 0.253 58.462 58.200 0.014 0.000 1.031 341 S CB 0.155 63.329 63.200 -0.044 0.000 0.892 341 S HN 1.216 nan 8.310 nan 0.000 0.529 342 Y N 2.400 122.650 120.300 -0.083 0.000 2.256 342 Y HA -0.171 4.379 4.550 -0.000 0.000 0.288 342 Y C 2.636 178.433 175.900 -0.171 0.000 1.155 342 Y CA 2.102 60.110 58.100 -0.154 0.000 1.203 342 Y CB -0.329 38.018 38.460 -0.190 0.000 0.980 342 Y HN 0.857 nan 8.280 nan 0.000 0.530 343 R N -0.077 120.304 120.500 -0.199 0.000 2.070 343 R HA -0.261 4.079 4.340 -0.000 0.000 0.233 343 R C 2.400 178.533 176.300 -0.279 0.000 1.137 343 R CA 1.993 57.959 56.100 -0.224 0.000 0.945 343 R CB -0.415 29.843 30.300 -0.071 0.000 0.845 343 R HN 0.394 nan 8.270 nan 0.000 0.430 344 Q N 0.709 120.370 119.800 -0.232 0.000 2.050 344 Q HA -0.113 4.227 4.340 -0.000 0.000 0.202 344 Q C 2.068 177.867 176.000 -0.336 0.000 0.980 344 Q CA 1.838 57.497 55.803 -0.241 0.000 0.840 344 Q CB -0.341 28.271 28.738 -0.210 0.000 0.898 344 Q HN 0.489 nan 8.270 nan 0.000 0.424 345 L N 0.274 121.243 121.223 -0.423 0.000 2.079 345 L HA -0.200 4.140 4.340 -0.000 0.000 0.210 345 L C 2.555 179.097 176.870 -0.546 0.000 1.081 345 L CA 1.845 56.356 54.840 -0.547 0.000 0.752 345 L CB -0.565 41.090 42.059 -0.673 0.000 0.896 345 L HN 0.446 nan 8.230 nan 0.000 0.433 346 E N 0.054 119.888 120.200 -0.609 0.000 2.077 346 E HA -0.256 4.094 4.350 -0.000 0.000 0.193 346 E C 2.185 178.620 176.600 -0.275 0.000 0.989 346 E CA 1.164 57.264 56.400 -0.499 0.000 0.800 346 E CB 0.075 29.412 29.700 -0.604 0.000 0.746 346 E HN 0.532 nan 8.360 nan 0.000 0.452 347 Q N -0.381 119.277 119.800 -0.237 0.000 2.224 347 Q HA -0.109 4.231 4.340 -0.000 0.000 0.203 347 Q C 2.129 178.101 176.000 -0.047 0.000 0.970 347 Q CA 1.235 56.970 55.803 -0.114 0.000 0.865 347 Q CB 0.005 28.682 28.738 -0.102 0.000 0.922 347 Q HN 0.369 nan 8.270 nan 0.000 0.445 348 M N -0.096 119.400 119.600 -0.172 0.000 2.175 348 M HA -0.141 4.339 4.480 -0.000 0.000 0.264 348 M C 1.877 178.212 176.300 0.058 0.000 1.063 348 M CA 1.255 56.462 55.300 -0.155 0.000 1.119 348 M CB 0.049 32.354 32.600 -0.492 0.000 1.377 348 M HN 0.218 nan 8.290 nan 0.000 0.415 349 L N -0.785 120.387 121.223 -0.086 0.000 2.179 349 L HA -0.178 4.162 4.340 -0.000 0.000 0.208 349 L C 2.384 179.276 176.870 0.037 0.000 1.096 349 L CA 0.934 55.768 54.840 -0.011 0.000 0.779 349 L CB -0.284 41.723 42.059 -0.087 0.000 0.922 349 L HN 0.286 nan 8.230 nan 0.000 0.443 350 Q N -0.147 119.661 119.800 0.014 0.000 2.124 350 Q HA -0.040 4.300 4.340 -0.000 0.000 0.202 350 Q C 1.242 177.260 176.000 0.030 0.000 0.977 350 Q CA 1.209 57.019 55.803 0.011 0.000 0.850 350 Q CB -0.158 28.576 28.738 -0.007 0.000 0.901 350 Q HN 0.471 nan 8.270 nan 0.000 0.429 351 G N -0.621 108.242 108.800 0.106 0.000 2.508 351 G HA2 -0.051 3.909 3.960 -0.000 0.000 0.278 351 G HA3 -0.051 3.909 3.960 -0.000 0.000 0.278 351 G C 0.369 175.186 174.900 -0.138 0.000 1.389 351 G CA -0.261 44.803 45.100 -0.061 0.000 1.050 351 G HN 0.184 nan 8.290 nan 0.000 0.522 352 N N -1.501 116.957 118.700 -0.404 0.000 2.182 352 N HA -0.111 4.629 4.740 -0.000 0.000 0.186 352 N C 1.430 176.883 175.510 -0.095 0.000 1.036 352 N CA 0.849 53.765 53.050 -0.223 0.000 0.850 352 N CB -0.261 38.084 38.487 -0.236 0.000 1.010 352 N HN 0.471 nan 8.380 nan 0.000 0.432 353 Y N -0.105 120.220 120.300 0.043 0.000 4.765 353 Y HA -0.300 4.250 4.550 -0.000 0.000 0.203 353 Y C 1.346 177.134 175.900 -0.188 0.000 0.997 353 Y CA 1.146 59.276 58.100 0.050 0.000 1.758 353 Y CB -1.924 36.701 38.460 0.275 0.000 1.600 353 Y HN 0.346 nan 8.280 nan 0.000 0.559 354 G N -1.775 106.953 108.800 -0.121 0.000 2.273 354 G HA2 -0.335 3.625 3.960 -0.000 0.000 0.280 354 G HA3 -0.335 3.625 3.960 -0.000 0.000 0.280 354 G C -0.339 174.225 174.900 -0.559 0.000 1.047 354 G CA 0.202 45.067 45.100 -0.392 0.000 0.869 354 G HN 0.524 nan 8.290 nan 0.000 0.502 355 Y N -0.988 119.245 120.300 -0.112 0.000 2.387 355 Y HA 0.680 5.230 4.550 -0.000 0.000 0.330 355 Y C 0.567 176.452 175.900 -0.026 0.000 1.133 355 Y CA 0.350 58.419 58.100 -0.053 0.000 1.152 355 Y CB 1.719 40.196 38.460 0.029 0.000 1.215 355 Y HN 0.611 nan 8.280 nan 0.000 0.466 356 Q N 2.525 122.436 119.800 0.184 0.000 2.353 356 Q HA 0.544 4.884 4.340 -0.000 0.000 0.268 356 Q C -1.029 175.041 176.000 0.116 0.000 1.045 356 Q CA -1.326 54.553 55.803 0.127 0.000 0.811 356 Q CB 1.806 30.621 28.738 0.129 0.000 1.305 356 Q HN 0.757 nan 8.270 nan 0.000 0.447 357 R N 2.945 123.486 120.500 0.067 0.000 2.202 357 R HA 0.578 4.918 4.340 -0.000 0.000 0.334 357 R C -1.029 175.237 176.300 -0.056 0.000 1.036 357 R CA -0.292 55.833 56.100 0.041 0.000 0.878 357 R CB 0.341 30.698 30.300 0.095 0.000 1.067 357 R HN 0.534 nan 8.270 nan 0.000 0.457 358 L N 3.816 124.856 121.223 -0.304 0.000 2.298 358 L HA 0.566 4.905 4.340 -0.000 0.000 0.268 358 L C -0.286 176.394 176.870 -0.316 0.000 1.010 358 L CA -0.759 53.817 54.840 -0.441 0.000 0.812 358 L CB 1.259 42.801 42.059 -0.861 0.000 1.331 358 L HN 0.750 nan 8.230 nan 0.000 0.450 359 W N 1.945 123.111 121.300 -0.223 0.000 2.998 359 W HA 0.303 4.963 4.660 -0.000 0.000 0.335 359 W C -1.278 175.354 176.519 0.189 0.000 1.110 359 W CA -0.523 56.823 57.345 0.001 0.000 1.230 359 W CB 2.011 31.456 29.460 -0.026 0.000 1.405 359 W HN 0.514 nan 8.180 nan 0.000 0.493 360 N N 3.809 122.250 118.700 -0.433 0.000 2.444 360 N HA 0.049 4.788 4.740 -0.000 0.000 0.262 360 N C -0.064 175.059 175.510 -0.645 0.000 0.974 360 N CA 0.162 53.010 53.050 -0.336 0.000 0.933 360 N CB 1.365 39.622 38.487 -0.383 0.000 1.137 360 N HN 0.447 nan 8.380 nan 0.000 0.498 361 D N 2.363 122.660 120.400 -0.172 0.000 2.349 361 D HA 0.050 4.690 4.640 -0.000 0.000 0.224 361 D C 1.039 177.305 176.300 -0.057 0.000 1.029 361 D CA 0.833 54.836 54.000 0.005 0.000 0.879 361 D CB 0.611 41.539 40.800 0.214 0.000 0.906 361 D HN 0.408 nan 8.370 nan 0.000 0.528 362 K N -0.917 119.426 120.400 -0.094 0.000 2.121 362 K HA 0.032 4.352 4.320 -0.000 0.000 0.203 362 K C 2.121 178.691 176.600 -0.050 0.000 1.041 362 K CA 1.270 57.538 56.287 -0.032 0.000 0.969 362 K CB -0.848 31.653 32.500 0.001 0.000 0.799 362 K HN 0.242 nan 8.250 nan 0.000 0.456 363 T N -0.522 113.916 114.554 -0.193 0.000 3.023 363 T HA 0.011 4.361 4.350 -0.000 0.000 0.266 363 T C 0.501 174.971 174.700 -0.383 0.000 1.093 363 T CA 0.266 62.214 62.100 -0.253 0.000 1.129 363 T CB -0.043 68.578 68.868 -0.412 0.000 0.899 363 T HN 0.009 nan 8.240 nan 0.000 0.491 364 K N 2.123 122.178 120.400 -0.574 0.000 3.125 364 K HA -0.116 4.204 4.320 -0.000 0.000 0.268 364 K C 0.020 176.043 176.600 -0.962 0.000 1.078 364 K CA 1.242 57.073 56.287 -0.760 0.000 0.775 364 K CB -2.760 29.399 32.500 -0.568 0.000 1.253 364 K HN 0.903 nan 8.250 nan 0.000 0.486 365 T N -2.582 111.210 114.554 -1.271 0.000 2.896 365 T HA 0.733 5.083 4.350 -0.000 0.000 0.297 365 T C -2.963 171.187 174.700 -0.917 0.000 1.108 365 T CA -1.746 59.803 62.100 -0.919 0.000 1.004 365 T CB 3.810 72.370 68.868 -0.513 0.000 1.159 365 T HN -0.152 nan 8.240 nan 0.000 0.499 366 P HA 0.571 nan 4.420 nan 0.000 0.283 366 P C -1.710 175.563 177.300 -0.045 0.000 1.278 366 P CA -0.555 62.445 63.100 -0.166 0.000 0.834 366 P CB 0.801 32.351 31.700 -0.250 0.000 1.150 367 Y N -2.134 118.179 120.300 0.023 0.000 2.592 367 Y HA 0.613 5.163 4.550 -0.000 0.000 0.334 367 Y C -1.733 174.304 175.900 0.229 0.000 1.136 367 Y CA -1.394 56.776 58.100 0.116 0.000 1.042 367 Y CB 0.508 39.005 38.460 0.061 0.000 1.325 367 Y HN 0.100 nan 8.280 nan 0.000 0.457 368 L N 2.975 124.330 121.223 0.220 0.000 2.331 368 L HA 0.587 4.926 4.340 -0.000 0.000 0.275 368 L C -1.358 175.724 176.870 0.354 0.000 1.022 368 L CA -1.149 53.806 54.840 0.191 0.000 0.812 368 L CB 1.959 44.042 42.059 0.039 0.000 1.257 368 L HN 0.803 nan 8.230 nan 0.000 0.435 369 Y N 1.734 122.203 120.300 0.282 0.000 2.421 369 Y HA 0.351 4.901 4.550 -0.000 0.000 0.339 369 Y C -0.956 175.120 175.900 0.293 0.000 0.996 369 Y CA -0.845 57.455 58.100 0.334 0.000 1.046 369 Y CB 1.255 39.898 38.460 0.305 0.000 1.226 369 Y HN 0.510 nan 8.280 nan 0.000 0.445 370 H N 6.122 124.875 119.070 -0.528 0.000 2.632 370 H HA 0.503 5.059 4.556 -0.000 0.000 0.258 370 H C 0.297 175.125 175.328 -0.833 0.000 1.278 370 H CA 0.476 56.169 56.048 -0.592 0.000 1.352 370 H CB 1.203 30.675 29.762 -0.483 0.000 1.418 370 H HN 0.979 nan 8.280 nan 0.000 0.513 371 A N 3.457 125.746 122.820 -0.885 0.000 1.948 371 A HA -0.241 4.079 4.320 -0.000 0.000 0.220 371 A C 2.220 179.758 177.584 -0.077 0.000 1.177 371 A CA 1.927 53.696 52.037 -0.447 0.000 0.636 371 A CB -0.378 18.593 19.000 -0.048 0.000 0.815 371 A HN 0.770 nan 8.150 nan 0.000 0.449 372 Q N -0.877 118.919 119.800 -0.007 0.000 2.170 372 Q HA -0.183 4.157 4.340 -0.000 0.000 0.203 372 Q C 0.706 176.778 176.000 0.121 0.000 0.976 372 Q CA 1.818 57.679 55.803 0.097 0.000 0.858 372 Q CB -0.044 28.761 28.738 0.112 0.000 0.907 372 Q HN 0.641 nan 8.270 nan 0.000 0.433 373 N N -1.010 117.771 118.700 0.134 0.000 2.171 373 N HA 0.186 4.926 4.740 -0.000 0.000 0.212 373 N C -0.513 174.957 175.510 -0.066 0.000 1.184 373 N CA 0.729 53.715 53.050 -0.106 0.000 0.888 373 N CB 1.487 39.717 38.487 -0.428 0.000 1.038 373 N HN 0.308 nan 8.380 nan 0.000 0.517 374 G N 1.287 110.077 108.800 -0.017 0.000 2.370 374 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.295 374 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.295 374 G C -0.552 174.393 174.900 0.075 0.000 1.045 374 G CA 0.129 45.254 45.100 0.041 0.000 1.199 374 G HN 0.224 nan 8.290 nan 0.000 0.513 375 L N -0.563 120.709 121.223 0.081 0.000 2.342 375 L HA 0.888 5.228 4.340 -0.000 0.000 0.271 375 L C -0.207 176.930 176.870 0.445 0.000 1.008 375 L CA -1.305 53.681 54.840 0.243 0.000 0.818 375 L CB 2.071 44.273 42.059 0.238 0.000 1.296 375 L HN 0.202 nan 8.230 nan 0.000 0.427 376 F N 2.169 122.324 119.950 0.342 0.000 2.557 376 F HA 0.684 5.211 4.527 -0.000 0.000 0.316 376 F C -1.313 174.725 175.800 0.395 0.000 1.141 376 F CA -0.602 57.614 58.000 0.361 0.000 0.922 376 F CB 1.729 40.843 39.000 0.190 0.000 1.194 376 F HN 0.035 nan 8.300 nan 0.000 0.443 377 V N 4.716 124.384 119.914 -0.410 0.000 2.483 377 V HA 0.441 4.561 4.120 -0.000 0.000 0.297 377 V C -0.361 175.498 176.094 -0.392 0.000 1.027 377 V CA -0.670 61.490 62.300 -0.234 0.000 0.855 377 V CB 1.750 33.511 31.823 -0.103 0.000 0.995 377 V HN 0.842 nan 8.190 nan 0.000 0.424 378 T N 5.356 119.814 114.554 -0.161 0.000 2.795 378 T HA 0.768 5.118 4.350 -0.000 0.000 0.282 378 T C -0.888 173.952 174.700 0.234 0.000 0.980 378 T CA -0.146 61.981 62.100 0.045 0.000 1.012 378 T CB 0.622 69.605 68.868 0.192 0.000 0.936 378 T HN 0.828 nan 8.240 nan 0.000 0.457 379 Y N 1.465 121.770 120.300 0.007 0.000 2.871 379 Y HA 0.784 5.334 4.550 -0.000 0.000 0.331 379 Y C -1.736 174.154 175.900 -0.017 0.000 1.378 379 Y CA -1.527 56.557 58.100 -0.026 0.000 1.079 379 Y CB 0.454 38.899 38.460 -0.025 0.000 1.441 379 Y HN 0.515 nan 8.280 nan 0.000 0.446 380 D N 0.239 120.545 120.400 -0.157 0.000 2.490 380 D HA 0.542 5.182 4.640 -0.000 0.000 0.232 380 D C -1.477 174.532 176.300 -0.484 0.000 1.053 380 D CA -0.128 53.679 54.000 -0.321 0.000 0.914 380 D CB 1.991 42.763 40.800 -0.047 0.000 1.431 380 D HN 0.733 nan 8.370 nan 0.000 0.483 381 D N -0.941 119.042 120.400 -0.695 0.000 2.812 381 D HA 0.407 5.047 4.640 -0.000 0.000 0.318 381 D C 0.386 176.114 176.300 -0.954 0.000 1.234 381 D CA -0.760 52.762 54.000 -0.797 0.000 0.989 381 D CB 0.339 41.014 40.800 -0.208 0.000 1.442 381 D HN 0.295 nan 8.370 nan 0.000 0.537 382 A N -0.415 122.035 122.820 -0.618 0.000 2.024 382 A HA -0.204 4.116 4.320 -0.000 0.000 0.220 382 A C 1.872 179.446 177.584 -0.017 0.000 1.164 382 A CA 2.191 54.059 52.037 -0.282 0.000 0.643 382 A CB -0.918 17.989 19.000 -0.156 0.000 0.806 382 A HN 0.681 nan 8.150 nan 0.000 0.451 383 E N 0.200 120.369 120.200 -0.052 0.000 2.046 383 E HA -0.142 4.208 4.350 -0.000 0.000 0.190 383 E C 2.215 178.994 176.600 0.299 0.000 0.982 383 E CA 1.292 57.712 56.400 0.032 0.000 0.800 383 E CB -0.099 29.521 29.700 -0.132 0.000 0.756 383 E HN 0.730 nan 8.360 nan 0.000 0.449 384 S N 0.005 115.925 115.700 0.368 0.000 2.423 384 S HA -0.115 4.355 4.470 -0.000 0.000 0.231 384 S C 1.767 176.671 174.600 0.507 0.000 1.014 384 S CA 0.519 59.018 58.200 0.497 0.000 0.965 384 S CB -0.445 62.860 63.200 0.175 0.000 0.785 384 S HN 0.211 nan 8.310 nan 0.000 0.495 385 F N 2.483 122.533 119.950 0.166 0.000 2.365 385 F HA 0.185 4.711 4.527 -0.000 0.000 0.300 385 F C 2.237 178.078 175.800 0.067 0.000 1.090 385 F CA 0.050 58.140 58.000 0.150 0.000 1.408 385 F CB -0.724 38.372 39.000 0.160 0.000 1.060 385 F HN 0.300 nan 8.300 nan 0.000 0.534 386 K N -0.774 119.621 120.400 -0.009 0.000 2.057 386 K HA -0.195 4.125 4.320 -0.000 0.000 0.207 386 K C 1.966 178.384 176.600 -0.304 0.000 1.049 386 K CA 1.681 57.611 56.287 -0.594 0.000 0.931 386 K CB -0.477 31.558 32.500 -0.775 0.000 0.714 386 K HN 0.223 nan 8.250 nan 0.000 0.440 387 Y N 1.329 121.680 120.300 0.085 0.000 2.200 387 Y HA -0.117 4.433 4.550 -0.000 0.000 0.290 387 Y C 2.175 178.168 175.900 0.154 0.000 1.137 387 Y CA 1.127 59.314 58.100 0.145 0.000 1.163 387 Y CB -0.128 38.435 38.460 0.173 0.000 0.988 387 Y HN -0.053 nan 8.280 nan 0.000 0.518 388 K N -0.119 120.448 120.400 0.279 0.000 2.097 388 K HA -0.101 4.219 4.320 -0.000 0.000 0.205 388 K C 2.375 179.124 176.600 0.249 0.000 1.050 388 K CA 0.994 57.405 56.287 0.205 0.000 0.938 388 K CB -0.310 32.282 32.500 0.153 0.000 0.718 388 K HN 0.270 nan 8.250 nan 0.000 0.442 389 A N 1.792 124.715 122.820 0.172 0.000 1.873 389 A HA -0.212 4.108 4.320 -0.000 0.000 0.215 389 A C 2.049 179.807 177.584 0.291 0.000 1.186 389 A CA 1.649 53.784 52.037 0.163 0.000 0.616 389 A CB -0.373 18.575 19.000 -0.086 0.000 0.823 389 A HN 0.208 nan 8.150 nan 0.000 0.442 390 K N -1.787 118.738 120.400 0.208 0.000 2.063 390 K HA -0.220 4.100 4.320 -0.000 0.000 0.208 390 K C 1.918 178.677 176.600 0.265 0.000 1.048 390 K CA 1.810 58.227 56.287 0.217 0.000 0.928 390 K CB -0.410 32.184 32.500 0.158 0.000 0.713 390 K HN 0.516 nan 8.250 nan 0.000 0.442 391 Y N 1.345 121.758 120.300 0.189 0.000 2.128 391 Y HA -0.230 4.320 4.550 -0.000 0.000 0.284 391 Y C 1.826 177.828 175.900 0.169 0.000 1.154 391 Y CA 1.884 60.092 58.100 0.179 0.000 1.149 391 Y CB -0.113 38.425 38.460 0.129 0.000 0.976 391 Y HN 0.039 nan 8.280 nan 0.000 0.505 392 I N 0.083 120.872 120.570 0.366 0.000 2.264 392 I HA -0.362 3.808 4.170 -0.000 0.000 0.248 392 I C 2.221 178.429 176.117 0.151 0.000 1.111 392 I CA 1.746 63.210 61.300 0.273 0.000 1.382 392 I CB -0.341 37.887 38.000 0.381 0.000 1.060 392 I HN 0.236 nan 8.210 nan 0.000 0.418 393 K N 0.260 120.778 120.400 0.196 0.000 2.031 393 K HA -0.147 4.173 4.320 -0.000 0.000 0.205 393 K C 2.152 178.786 176.600 0.055 0.000 1.049 393 K CA 1.120 57.486 56.287 0.133 0.000 0.939 393 K CB -0.175 32.438 32.500 0.188 0.000 0.717 393 K HN 0.351 nan 8.250 nan 0.000 0.438 394 Q N 0.554 120.372 119.800 0.030 0.000 2.084 394 Q HA -0.141 4.199 4.340 -0.000 0.000 0.202 394 Q C 1.777 177.728 176.000 -0.081 0.000 0.978 394 Q CA 1.059 56.849 55.803 -0.022 0.000 0.844 394 Q CB 0.084 28.802 28.738 -0.033 0.000 0.898 394 Q HN 0.239 nan 8.270 nan 0.000 0.426 395 Q N 0.250 119.947 119.800 -0.171 0.000 2.444 395 Q HA -0.006 4.334 4.340 -0.000 0.000 0.206 395 Q C -0.240 175.731 176.000 -0.048 0.000 0.948 395 Q CA 0.271 55.975 55.803 -0.165 0.000 0.946 395 Q CB 0.421 28.962 28.738 -0.328 0.000 1.027 395 Q HN 0.417 nan 8.270 nan 0.000 0.513 396 Q N 0.490 120.279 119.800 -0.018 0.000 2.451 396 Q HA -0.197 4.143 4.340 -0.000 0.000 0.305 396 Q C -0.513 175.501 176.000 0.024 0.000 1.345 396 Q CA 0.280 56.088 55.803 0.009 0.000 0.854 396 Q CB -1.980 26.764 28.738 0.010 0.000 1.162 396 Q HN 0.378 nan 8.270 nan 0.000 0.440 397 L N -1.562 119.680 121.223 0.032 0.000 2.475 397 L HA 0.235 4.575 4.340 -0.000 0.000 0.253 397 L C 1.833 178.724 176.870 0.036 0.000 1.198 397 L CA 0.519 55.392 54.840 0.056 0.000 0.814 397 L CB 0.146 42.258 42.059 0.088 0.000 1.134 397 L HN 0.336 nan 8.230 nan 0.000 0.478 398 G N -0.770 108.071 108.800 0.067 0.000 2.484 398 G HA2 0.364 4.324 3.960 -0.000 0.000 0.218 398 G HA3 0.364 4.324 3.960 -0.000 0.000 0.218 398 G C 0.549 175.392 174.900 -0.096 0.000 1.130 398 G CA 0.747 45.898 45.100 0.083 0.000 0.784 398 G HN 0.949 nan 8.290 nan 0.000 0.543 399 G N -1.978 106.745 108.800 -0.128 0.000 2.373 399 G HA2 0.365 4.325 3.960 -0.000 0.000 0.250 399 G HA3 0.365 4.325 3.960 -0.000 0.000 0.250 399 G C -1.693 173.193 174.900 -0.024 0.000 1.304 399 G CA 0.118 45.089 45.100 -0.215 0.000 0.948 399 G HN 0.809 nan 8.290 nan 0.000 0.474 400 V N 1.179 121.131 119.914 0.063 0.000 2.914 400 V HA 0.913 5.033 4.120 -0.000 0.000 0.314 400 V C -0.498 175.656 176.094 0.100 0.000 1.084 400 V CA -0.636 61.762 62.300 0.163 0.000 0.963 400 V CB 1.839 33.848 31.823 0.311 0.000 1.025 400 V HN 1.227 nan 8.190 nan 0.000 0.432 401 M N 5.932 125.612 119.600 0.135 0.000 2.593 401 M HA 0.695 5.175 4.480 -0.000 0.000 0.290 401 M C -2.185 174.258 176.300 0.237 0.000 1.244 401 M CA -0.529 54.823 55.300 0.086 0.000 0.857 401 M CB 2.142 34.806 32.600 0.106 0.000 1.738 401 M HN 0.802 nan 8.290 nan 0.000 0.461 402 F N 1.071 121.086 119.950 0.110 0.000 2.654 402 F HA 0.762 5.289 4.527 -0.000 0.000 0.308 402 F C -2.231 173.592 175.800 0.039 0.000 1.108 402 F CA -1.100 56.872 58.000 -0.046 0.000 0.957 402 F CB 1.125 39.781 39.000 -0.574 0.000 1.309 402 F HN 0.690 nan 8.300 nan 0.000 0.446 403 W N 5.259 126.566 121.300 0.012 0.000 2.424 403 W HA 0.583 5.243 4.660 -0.000 0.000 0.318 403 W C -2.031 174.557 176.519 0.114 0.000 1.016 403 W CA -0.742 56.621 57.345 0.031 0.000 1.268 403 W CB 1.412 30.789 29.460 -0.138 0.000 1.297 403 W HN 1.020 nan 8.180 nan 0.000 0.428 404 H N 2.357 121.236 119.070 -0.319 0.000 2.980 404 H HA 0.353 4.909 4.556 -0.000 0.000 0.367 404 H C 0.574 175.805 175.328 -0.161 0.000 1.206 404 H CA -0.965 54.803 56.048 -0.468 0.000 1.126 404 H CB 1.307 30.352 29.762 -1.195 0.000 1.838 404 H HN 0.268 nan 8.280 nan 0.000 0.552 405 L N 0.861 122.174 121.223 0.149 0.000 2.064 405 L HA -0.197 4.143 4.340 -0.000 0.000 0.216 405 L C 2.320 178.958 176.870 -0.387 0.000 1.077 405 L CA 2.005 56.965 54.840 0.201 0.000 0.766 405 L CB -0.583 41.703 42.059 0.378 0.000 0.890 405 L HN 1.069 nan 8.230 nan 0.000 0.435 406 G N -1.604 106.921 108.800 -0.460 0.000 2.708 406 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.210 406 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.210 406 G C 1.277 175.767 174.900 -0.683 0.000 1.141 406 G CA 0.105 44.612 45.100 -0.988 0.000 0.788 406 G HN 0.498 nan 8.290 nan 0.000 0.531 407 Q N -0.487 118.984 119.800 -0.547 0.000 2.319 407 Q HA 0.099 4.439 4.340 -0.000 0.000 0.209 407 Q C 0.171 176.159 176.000 -0.020 0.000 0.884 407 Q CA -0.478 55.175 55.803 -0.250 0.000 0.938 407 Q CB 0.604 29.206 28.738 -0.227 0.000 1.098 407 Q HN 0.273 nan 8.270 nan 0.000 0.517 408 D N 1.914 122.318 120.400 0.007 0.000 2.360 408 D HA -0.019 4.621 4.640 -0.000 0.000 0.242 408 D C -0.160 176.184 176.300 0.072 0.000 1.184 408 D CA -0.100 53.920 54.000 0.032 0.000 0.930 408 D CB 0.662 41.500 40.800 0.062 0.000 1.161 408 D HN 0.092 nan 8.370 nan 0.000 0.447 409 N N 0.786 119.558 118.700 0.121 0.000 2.424 409 N HA 0.047 4.787 4.740 -0.000 0.000 0.257 409 N C 0.802 176.389 175.510 0.128 0.000 1.250 409 N CA -0.258 52.847 53.050 0.093 0.000 0.946 409 N CB 0.444 38.973 38.487 0.069 0.000 1.175 409 N HN 0.182 nan 8.380 nan 0.000 0.477 410 R N 0.238 120.809 120.500 0.118 0.000 2.139 410 R HA -0.096 4.244 4.340 -0.000 0.000 0.243 410 R C 0.583 176.950 176.300 0.111 0.000 1.145 410 R CA 0.999 57.181 56.100 0.137 0.000 0.976 410 R CB -1.002 29.348 30.300 0.083 0.000 0.866 410 R HN 0.645 nan 8.270 nan 0.000 0.449 411 N N 0.120 118.865 118.700 0.075 0.000 2.521 411 N HA -0.027 4.713 4.740 -0.000 0.000 0.188 411 N C 0.501 176.044 175.510 0.055 0.000 1.146 411 N CA 0.945 54.026 53.050 0.052 0.000 0.893 411 N CB 0.207 38.711 38.487 0.028 0.000 0.975 411 N HN 0.378 nan 8.380 nan 0.000 0.451 412 G N 1.631 110.481 108.800 0.083 0.000 2.323 412 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.292 412 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.292 412 G C 0.487 175.376 174.900 -0.018 0.000 1.040 412 G CA 0.475 45.618 45.100 0.071 0.000 0.942 412 G HN 0.243 nan 8.290 nan 0.000 0.506 413 D N -0.210 120.159 120.400 -0.051 0.000 2.144 413 D HA -0.054 4.586 4.640 -0.000 0.000 0.200 413 D C 2.758 178.911 176.300 -0.246 0.000 0.978 413 D CA 0.945 54.875 54.000 -0.117 0.000 0.833 413 D CB -0.026 40.731 40.800 -0.071 0.000 0.961 413 D HN 0.544 nan 8.370 nan 0.000 0.470 414 L N 0.220 121.191 121.223 -0.419 0.000 2.046 414 L HA -0.145 4.195 4.340 -0.000 0.000 0.208 414 L C 2.440 179.135 176.870 -0.292 0.000 1.077 414 L CA 0.544 55.030 54.840 -0.590 0.000 0.747 414 L CB -0.411 40.823 42.059 -1.375 0.000 0.896 414 L HN 0.089 nan 8.230 nan 0.000 0.432 415 L N 0.460 121.564 121.223 -0.198 0.000 2.046 415 L HA -0.106 4.234 4.340 -0.000 0.000 0.208 415 L C 2.600 179.428 176.870 -0.070 0.000 1.077 415 L CA 1.964 56.780 54.840 -0.039 0.000 0.747 415 L CB -0.711 41.405 42.059 0.096 0.000 0.896 415 L HN 0.122 nan 8.230 nan 0.000 0.432 416 A N -0.471 122.286 122.820 -0.105 0.000 1.972 416 A HA -0.038 4.282 4.320 -0.000 0.000 0.219 416 A C 2.446 179.860 177.584 -0.283 0.000 1.169 416 A CA 1.608 53.565 52.037 -0.135 0.000 0.635 416 A CB -1.057 17.881 19.000 -0.104 0.000 0.810 416 A HN 0.589 nan 8.150 nan 0.000 0.446 417 A N -0.034 122.561 122.820 -0.375 0.000 1.873 417 A HA -0.026 4.294 4.320 -0.000 0.000 0.215 417 A C 2.152 179.108 177.584 -1.047 0.000 1.186 417 A CA 1.454 53.033 52.037 -0.762 0.000 0.616 417 A CB -0.622 18.068 19.000 -0.517 0.000 0.823 417 A HN 0.467 nan 8.150 nan 0.000 0.442 418 L N -0.520 120.391 121.223 -0.520 0.000 2.017 418 L HA -0.217 4.123 4.340 -0.000 0.000 0.208 418 L C 2.443 179.071 176.870 -0.403 0.000 1.073 418 L CA 1.914 56.474 54.840 -0.466 0.000 0.745 418 L CB -0.668 41.279 42.059 -0.186 0.000 0.894 418 L HN 0.517 nan 8.230 nan 0.000 0.432 419 D N 0.057 120.343 120.400 -0.190 0.000 2.117 419 D HA -0.236 4.404 4.640 -0.000 0.000 0.197 419 D C 2.314 178.548 176.300 -0.111 0.000 0.987 419 D CA 1.153 55.134 54.000 -0.032 0.000 0.829 419 D CB 0.039 40.845 40.800 0.009 0.000 0.961 419 D HN 0.077 nan 8.370 nan 0.000 0.460 420 R N -1.082 119.237 120.500 -0.301 0.000 2.083 420 R HA -0.202 4.138 4.340 -0.000 0.000 0.237 420 R C 1.915 178.046 176.300 -0.281 0.000 1.137 420 R CA 1.445 57.365 56.100 -0.299 0.000 0.951 420 R CB -0.493 29.543 30.300 -0.441 0.000 0.851 420 R HN 0.271 nan 8.270 nan 0.000 0.434 421 Y N -0.499 119.502 120.300 -0.499 0.000 2.333 421 Y HA -0.116 4.434 4.550 -0.000 0.000 0.290 421 Y C 1.854 177.693 175.900 -0.101 0.000 1.144 421 Y CA 0.581 58.343 58.100 -0.564 0.000 1.228 421 Y CB -0.408 37.675 38.460 -0.628 0.000 0.985 421 Y HN 0.069 nan 8.280 nan 0.000 0.542 422 F N -0.815 119.218 119.950 0.138 0.000 2.374 422 F HA 0.064 4.591 4.527 -0.000 0.000 0.291 422 F C 1.544 177.417 175.800 0.120 0.000 1.084 422 F CA 0.574 58.655 58.000 0.136 0.000 1.413 422 F CB -0.659 38.397 39.000 0.094 0.000 1.099 422 F HN 0.026 nan 8.300 nan 0.000 0.534 423 N N -0.651 118.214 118.700 0.275 0.000 2.397 423 N HA 0.256 4.996 4.740 -0.000 0.000 0.190 423 N C 0.514 176.112 175.510 0.146 0.000 1.099 423 N CA 0.210 53.373 53.050 0.188 0.000 0.876 423 N CB 0.189 38.766 38.487 0.150 0.000 1.143 423 N HN -0.001 nan 8.380 nan 0.000 0.468 424 A N 1.016 123.916 122.820 0.134 0.000 2.548 424 A HA 0.380 4.700 4.320 -0.000 0.000 0.247 424 A C 1.388 179.066 177.584 0.158 0.000 1.067 424 A CA 0.264 52.379 52.037 0.130 0.000 0.757 424 A CB 0.063 19.140 19.000 0.128 0.000 0.996 424 A HN 0.374 nan 8.150 nan 0.000 0.504 425 A N 2.396 125.284 122.820 0.113 0.000 2.015 425 A HA -0.067 4.253 4.320 -0.000 0.000 0.219 425 A C 1.306 178.949 177.584 0.098 0.000 1.163 425 A CA 1.658 53.754 52.037 0.097 0.000 0.646 425 A CB -0.321 18.721 19.000 0.070 0.000 0.806 425 A HN 0.880 nan 8.150 nan 0.000 0.448 426 D N -2.655 117.811 120.400 0.110 0.000 2.342 426 D HA 0.096 4.736 4.640 -0.000 0.000 0.221 426 D C -0.036 176.354 176.300 0.151 0.000 1.101 426 D CA -0.347 53.714 54.000 0.101 0.000 0.837 426 D CB -0.535 40.313 40.800 0.080 0.000 0.938 426 D HN 0.422 nan 8.370 nan 0.000 0.508 427 Y N 1.176 121.509 120.300 0.055 0.000 2.341 427 Y HA 0.462 5.012 4.550 -0.000 0.000 0.337 427 Y C -1.440 174.490 175.900 0.050 0.000 1.014 427 Y CA -1.458 56.681 58.100 0.065 0.000 1.111 427 Y CB 1.588 40.118 38.460 0.117 0.000 1.194 427 Y HN -0.188 nan 8.280 nan 0.000 0.462 428 D N 4.475 124.470 120.400 -0.676 0.000 2.476 428 D HA 0.165 4.805 4.640 -0.000 0.000 0.251 428 D C -0.835 175.054 176.300 -0.686 0.000 1.291 428 D CA -0.597 53.093 54.000 -0.515 0.000 0.939 428 D CB 0.891 41.555 40.800 -0.226 0.000 1.221 428 D HN 0.680 nan 8.370 nan 0.000 0.567 429 D N 1.335 121.376 120.400 -0.599 0.000 2.368 429 D HA -0.019 4.621 4.640 -0.000 0.000 0.218 429 D C 1.260 177.462 176.300 -0.164 0.000 1.112 429 D CA 0.060 53.827 54.000 -0.389 0.000 0.834 429 D CB -0.035 40.623 40.800 -0.236 0.000 0.953 429 D HN 0.193 nan 8.370 nan 0.000 0.505 430 S N -0.013 115.609 115.700 -0.131 0.000 2.420 430 S HA -0.266 4.204 4.470 -0.000 0.000 0.237 430 S C 1.629 176.206 174.600 -0.040 0.000 1.023 430 S CA 0.929 59.095 58.200 -0.057 0.000 0.991 430 S CB -0.478 62.694 63.200 -0.046 0.000 0.792 430 S HN 0.350 nan 8.310 nan 0.000 0.488 431 Q N 0.036 119.798 119.800 -0.062 0.000 2.219 431 Q HA 0.406 4.746 4.340 -0.000 0.000 0.209 431 Q C -0.497 175.491 176.000 -0.020 0.000 0.854 431 Q CA -0.458 55.325 55.803 -0.033 0.000 0.960 431 Q CB 0.351 29.066 28.738 -0.039 0.000 1.116 431 Q HN 0.464 nan 8.270 nan 0.000 0.500 432 L N 2.235 123.434 121.223 -0.040 0.000 2.462 432 L HA 0.040 4.380 4.340 -0.000 0.000 0.272 432 L C -0.317 176.611 176.870 0.096 0.000 1.166 432 L CA 0.333 55.160 54.840 -0.022 0.000 0.880 432 L CB 0.548 42.536 42.059 -0.119 0.000 1.142 432 L HN -0.038 nan 8.230 nan 0.000 0.473 433 D N 5.038 125.540 120.400 0.170 0.000 2.352 433 D HA 0.068 4.708 4.640 -0.000 0.000 0.245 433 D C 0.887 177.407 176.300 0.368 0.000 1.224 433 D CA -0.153 53.977 54.000 0.216 0.000 0.879 433 D CB 0.725 41.628 40.800 0.171 0.000 1.057 433 D HN 0.493 nan 8.370 nan 0.000 0.491 434 M N 2.744 122.529 119.600 0.307 0.000 2.630 434 M HA 0.176 4.656 4.480 -0.000 0.000 0.254 434 M C 1.262 177.694 176.300 0.220 0.000 1.092 434 M CA 0.651 56.182 55.300 0.385 0.000 1.087 434 M CB -1.534 31.282 32.600 0.360 0.000 1.453 434 M HN 0.650 nan 8.290 nan 0.000 0.509 435 G N 0.673 109.549 108.800 0.126 0.000 2.725 435 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.220 435 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.220 435 G C 0.205 175.078 174.900 -0.044 0.000 1.357 435 G CA 0.126 45.254 45.100 0.047 0.000 0.866 435 G HN 0.411 nan 8.290 nan 0.000 0.548 436 T N -1.751 112.775 114.554 -0.047 0.000 3.182 436 T HA 0.608 4.958 4.350 -0.000 0.000 0.277 436 T C 1.245 175.890 174.700 -0.092 0.000 1.013 436 T CA 1.101 63.154 62.100 -0.078 0.000 0.900 436 T CB 0.431 69.281 68.868 -0.031 0.000 1.098 436 T HN 2.007 nan 8.240 nan 0.000 0.543 437 G N 1.642 110.383 108.800 -0.098 0.000 2.630 437 G HA2 0.458 4.418 3.960 -0.000 0.000 0.236 437 G HA3 0.458 4.418 3.960 -0.000 0.000 0.236 437 G C -0.057 174.799 174.900 -0.073 0.000 1.248 437 G CA -0.733 44.360 45.100 -0.012 0.000 0.844 437 G HN 0.588 nan 8.290 nan 0.000 0.588 438 L N 0.913 122.161 121.223 0.042 0.000 2.410 438 L HA 0.263 4.603 4.340 -0.000 0.000 0.273 438 L C 0.771 177.725 176.870 0.140 0.000 1.144 438 L CA -0.478 54.393 54.840 0.052 0.000 0.863 438 L CB 0.431 42.537 42.059 0.078 0.000 1.140 438 L HN 0.360 nan 8.230 nan 0.000 0.463 439 R N 1.791 122.338 120.500 0.078 0.000 2.500 439 R HA 0.275 4.615 4.340 -0.000 0.000 0.277 439 R C -0.783 175.671 176.300 0.258 0.000 1.026 439 R CA -0.638 55.587 56.100 0.210 0.000 1.058 439 R CB 0.512 30.868 30.300 0.093 0.000 1.078 439 R HN 0.295 nan 8.270 nan 0.000 0.509 440 Y N 0.767 121.195 120.300 0.214 0.000 2.442 440 Y HA 0.027 4.577 4.550 -0.000 0.000 0.330 440 Y C 1.063 177.030 175.900 0.111 0.000 1.129 440 Y CA 0.467 58.672 58.100 0.174 0.000 1.365 440 Y CB 0.849 39.422 38.460 0.189 0.000 1.233 440 Y HN 0.757 nan 8.280 nan 0.000 0.529 441 T N 1.408 115.759 114.554 -0.337 0.000 3.086 441 T HA 0.259 4.609 4.350 -0.000 0.000 0.250 441 T C 0.937 175.449 174.700 -0.312 0.000 1.074 441 T CA 0.122 62.080 62.100 -0.237 0.000 0.988 441 T CB -0.428 68.329 68.868 -0.185 0.000 0.988 441 T HN 0.805 nan 8.240 nan 0.000 0.530 442 G N 1.103 109.538 108.800 -0.608 0.000 2.414 442 G HA2 0.435 4.395 3.960 -0.000 0.000 0.236 442 G HA3 0.435 4.395 3.960 -0.000 0.000 0.236 442 G C -0.759 174.091 174.900 -0.085 0.000 1.293 442 G CA -0.195 44.708 45.100 -0.328 0.000 0.869 442 G HN 0.382 nan 8.290 nan 0.000 0.556 443 V N 1.809 121.638 119.914 -0.142 0.000 2.577 443 V HA 0.805 4.925 4.120 -0.000 0.000 0.303 443 V C 0.686 176.677 176.094 -0.171 0.000 1.042 443 V CA 0.108 62.341 62.300 -0.110 0.000 0.872 443 V CB 1.540 33.290 31.823 -0.122 0.000 0.998 443 V HN 1.163 nan 8.190 nan 0.000 0.423 444 G N 4.058 112.783 108.800 -0.125 0.000 3.015 444 G HA2 0.631 4.591 3.960 -0.000 0.000 0.281 444 G HA3 0.631 4.591 3.960 -0.000 0.000 0.281 444 G C -2.481 172.294 174.900 -0.209 0.000 1.386 444 G CA -1.273 43.708 45.100 -0.200 0.000 0.959 444 G HN 0.463 nan 8.290 nan 0.000 0.522 445 P HA -0.018 nan 4.420 nan 0.000 0.216 445 P C 1.784 179.046 177.300 -0.064 0.000 1.150 445 P CA 1.722 64.689 63.100 -0.222 0.000 0.837 445 P CB 0.193 31.748 31.700 -0.242 0.000 0.786 446 G N -0.619 108.180 108.800 -0.001 0.000 2.813 446 G HA2 -0.110 3.850 3.960 -0.000 0.000 0.209 446 G HA3 -0.110 3.850 3.960 -0.000 0.000 0.209 446 G C 0.726 175.645 174.900 0.032 0.000 1.150 446 G CA 0.123 45.244 45.100 0.034 0.000 0.785 446 G HN 0.361 nan 8.290 nan 0.000 0.535 447 N N 0.127 118.835 118.700 0.014 0.000 2.588 447 N HA 0.154 4.894 4.740 -0.000 0.000 0.298 447 N C -0.277 175.225 175.510 -0.013 0.000 1.718 447 N CA -0.347 52.713 53.050 0.017 0.000 0.888 447 N CB -0.324 38.192 38.487 0.049 0.000 1.389 447 N HN 0.062 nan 8.380 nan 0.000 0.491 448 L N 0.789 121.993 121.223 -0.031 0.000 2.439 448 L HA 0.359 4.699 4.340 -0.000 0.000 0.269 448 L C -1.923 174.922 176.870 -0.042 0.000 1.179 448 L CA -1.477 53.331 54.840 -0.053 0.000 0.828 448 L CB 0.256 42.279 42.059 -0.060 0.000 1.106 448 L HN -0.057 nan 8.230 nan 0.000 0.467 449 P HA 0.141 nan 4.420 nan 0.000 0.272 449 P C -0.464 176.809 177.300 -0.044 0.000 1.223 449 P CA -0.198 62.880 63.100 -0.037 0.000 0.784 449 P CB 0.567 32.246 31.700 -0.035 0.000 0.923 450 I N 2.760 123.307 120.570 -0.038 0.000 2.441 450 I HA 0.224 4.394 4.170 -0.000 0.000 0.287 450 I C 0.656 176.752 176.117 -0.035 0.000 1.049 450 I CA 0.506 61.779 61.300 -0.045 0.000 1.381 450 I CB 0.052 38.029 38.000 -0.039 0.000 1.409 450 I HN 0.218 nan 8.210 nan 0.000 0.523 451 M N 4.577 124.154 119.600 -0.037 0.000 2.683 451 M HA 0.439 4.919 4.480 -0.000 0.000 0.274 451 M C -0.749 175.544 176.300 -0.013 0.000 1.272 451 M CA -0.691 54.596 55.300 -0.020 0.000 0.833 451 M CB 2.790 35.380 32.600 -0.018 0.000 1.708 451 M HN 0.552 nan 8.290 nan 0.000 0.463 452 T N -0.880 113.676 114.554 0.004 0.000 2.900 452 T HA 0.982 5.332 4.350 -0.000 0.000 0.295 452 T C -1.069 173.651 174.700 0.034 0.000 1.044 452 T CA -0.734 61.375 62.100 0.015 0.000 0.995 452 T CB 2.203 71.079 68.868 0.012 0.000 1.072 452 T HN 1.036 nan 8.240 nan 0.000 0.473 453 A N 2.119 124.969 122.820 0.049 0.000 2.597 453 A HA 0.801 5.121 4.320 -0.000 0.000 0.292 453 A C -3.269 174.363 177.584 0.080 0.000 1.057 453 A CA -1.476 50.603 52.037 0.070 0.000 0.674 453 A CB 0.320 19.373 19.000 0.089 0.000 1.278 453 A HN 0.684 nan 8.150 nan 0.000 0.416 454 P HA 0.385 nan 4.420 nan 0.000 0.266 454 P C 0.058 177.425 177.300 0.111 0.000 1.195 454 P CA 0.439 63.596 63.100 0.095 0.000 0.768 454 P CB 0.647 32.414 31.700 0.112 0.000 0.838 455 A N 3.365 126.245 122.820 0.100 0.000 2.498 455 A HA 0.072 4.392 4.320 -0.000 0.000 0.239 455 A C -0.244 177.421 177.584 0.134 0.000 1.068 455 A CA -0.064 52.049 52.037 0.126 0.000 0.766 455 A CB -0.622 18.439 19.000 0.101 0.000 1.003 455 A HN 0.572 nan 8.150 nan 0.000 0.497 456 Y N 2.605 122.916 120.300 0.019 0.000 2.610 456 Y HA 0.337 4.887 4.550 -0.000 0.000 0.332 456 Y C -0.223 175.686 175.900 0.015 0.000 1.201 456 Y CA 0.308 58.349 58.100 -0.098 0.000 1.465 456 Y CB 0.487 38.646 38.460 -0.502 0.000 1.283 456 Y HN 0.376 nan 8.280 nan 0.000 0.563 457 V N 9.255 128.741 119.914 -0.713 0.000 2.350 457 V HA 0.309 4.429 4.120 -0.000 0.000 0.285 457 V C -2.232 173.338 176.094 -0.873 0.000 1.014 457 V CA -2.129 59.826 62.300 -0.575 0.000 0.831 457 V CB 1.259 32.934 31.823 -0.247 0.000 1.000 457 V HN 0.741 nan 8.190 nan 0.000 0.433 458 P HA 0.278 nan 4.420 nan 0.000 0.264 458 P C 0.979 178.166 177.300 -0.189 0.000 1.193 458 P CA 1.159 64.072 63.100 -0.312 0.000 0.763 458 P CB 0.759 32.423 31.700 -0.061 0.000 0.810 459 G N 1.337 110.075 108.800 -0.104 0.000 2.194 459 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.236 459 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.236 459 G C 0.290 175.111 174.900 -0.131 0.000 0.987 459 G CA -0.094 44.953 45.100 -0.087 0.000 0.635 459 G HN 0.588 nan 8.290 nan 0.000 0.520 460 T N 1.635 116.068 114.554 -0.202 0.000 2.909 460 T HA 0.592 4.942 4.350 -0.000 0.000 0.286 460 T C 0.127 174.631 174.700 -0.327 0.000 1.002 460 T CA 0.439 62.338 62.100 -0.334 0.000 1.074 460 T CB 1.640 70.166 68.868 -0.571 0.000 0.984 460 T HN 0.171 nan 8.240 nan 0.000 0.495 461 T N 2.981 117.312 114.554 -0.373 0.000 2.771 461 T HA 0.462 4.812 4.350 -0.000 0.000 0.281 461 T C -0.973 173.527 174.700 -0.334 0.000 0.982 461 T CA -0.346 61.590 62.100 -0.274 0.000 0.978 461 T CB 0.165 68.899 68.868 -0.223 0.000 0.930 461 T HN 0.376 nan 8.240 nan 0.000 0.447 462 Y N 1.385 121.666 120.300 -0.031 0.000 2.387 462 Y HA 0.606 5.156 4.550 -0.000 0.000 0.336 462 Y C 0.667 176.528 175.900 -0.066 0.000 1.067 462 Y CA -1.011 57.078 58.100 -0.018 0.000 1.114 462 Y CB 1.071 39.545 38.460 0.022 0.000 1.208 462 Y HN 0.776 nan 8.280 nan 0.000 0.458 463 A N 2.422 125.317 122.820 0.124 0.000 2.272 463 A HA 0.275 4.595 4.320 -0.000 0.000 0.275 463 A C -0.158 177.441 177.584 0.025 0.000 1.096 463 A CA -0.733 51.350 52.037 0.077 0.000 0.822 463 A CB 0.344 19.388 19.000 0.074 0.000 1.088 463 A HN 0.799 nan 8.150 nan 0.000 0.495 464 Q N -0.343 119.471 119.800 0.022 0.000 2.330 464 Q HA 0.380 4.720 4.340 -0.000 0.000 0.279 464 Q C 0.979 176.972 176.000 -0.012 0.000 1.024 464 Q CA 1.054 56.847 55.803 -0.017 0.000 0.900 464 Q CB 0.196 28.960 28.738 0.045 0.000 1.221 464 Q HN 1.870 nan 8.270 nan 0.000 0.396 465 G N 2.003 110.773 108.800 -0.049 0.000 2.176 465 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.253 465 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.253 465 G C 0.161 175.073 174.900 0.019 0.000 0.979 465 G CA -0.012 45.083 45.100 -0.009 0.000 0.641 465 G HN 1.044 nan 8.290 nan 0.000 0.530 466 A N 0.060 122.891 122.820 0.019 0.000 2.462 466 A HA 0.678 4.998 4.320 -0.000 0.000 0.243 466 A C 0.368 178.039 177.584 0.144 0.000 1.076 466 A CA 0.360 52.461 52.037 0.106 0.000 0.773 466 A CB 0.333 19.461 19.000 0.212 0.000 1.010 466 A HN 0.933 nan 8.150 nan 0.000 0.493 467 L N 2.527 123.851 121.223 0.169 0.000 2.346 467 L HA 0.696 5.036 4.340 -0.000 0.000 0.276 467 L C -0.281 176.690 176.870 0.168 0.000 1.006 467 L CA -0.800 54.150 54.840 0.184 0.000 0.817 467 L CB 1.822 43.955 42.059 0.123 0.000 1.272 467 L HN 0.687 nan 8.230 nan 0.000 0.421 468 V N -0.601 119.407 119.914 0.156 0.000 3.114 468 V HA 0.773 4.892 4.120 -0.000 0.000 0.308 468 V C -0.376 175.808 176.094 0.150 0.000 1.168 468 V CA -0.727 61.622 62.300 0.082 0.000 1.015 468 V CB 1.982 33.731 31.823 -0.123 0.000 1.050 468 V HN 0.747 nan 8.190 nan 0.000 0.433 469 S N 1.966 117.765 115.700 0.165 0.000 2.475 469 S HA 0.850 5.320 4.470 -0.000 0.000 0.298 469 S C -1.111 173.675 174.600 0.311 0.000 1.119 469 S CA -0.539 57.795 58.200 0.223 0.000 1.085 469 S CB 1.286 64.566 63.200 0.133 0.000 1.028 469 S HN 1.516 nan 8.310 nan 0.000 0.489 470 Y N 1.392 121.819 120.300 0.211 0.000 2.436 470 Y HA 0.269 4.819 4.550 -0.000 0.000 0.327 470 Y C -0.522 175.527 175.900 0.249 0.000 1.138 470 Y CA -0.648 57.506 58.100 0.090 0.000 1.042 470 Y CB 1.381 39.661 38.460 -0.301 0.000 1.302 470 Y HN 0.951 nan 8.280 nan 0.000 0.439 471 Q N 4.353 124.003 119.800 -0.249 0.000 2.423 471 Q HA -0.266 4.074 4.340 -0.000 0.000 0.332 471 Q C 1.113 177.174 176.000 0.102 0.000 1.355 471 Q CA 1.406 57.117 55.803 -0.155 0.000 0.947 471 Q CB -1.551 27.032 28.738 -0.259 0.000 1.189 471 Q HN 1.451 nan 8.270 nan 0.000 0.418 472 G N -1.897 106.902 108.800 -0.001 0.000 2.320 472 G HA2 -0.359 3.601 3.960 -0.000 0.000 0.242 472 G HA3 -0.359 3.601 3.960 -0.000 0.000 0.242 472 G C -0.128 174.555 174.900 -0.362 0.000 1.033 472 G CA 0.486 45.462 45.100 -0.207 0.000 0.620 472 G HN 0.451 nan 8.290 nan 0.000 0.517 473 Y N -0.638 119.657 120.300 -0.008 0.000 2.602 473 Y HA 0.676 5.226 4.550 -0.000 0.000 0.330 473 Y C 0.466 176.261 175.900 -0.174 0.000 1.114 473 Y CA -1.262 56.706 58.100 -0.221 0.000 1.182 473 Y CB 1.941 40.034 38.460 -0.612 0.000 1.305 473 Y HN 0.070 nan 8.280 nan 0.000 0.502 474 V N 1.259 121.112 119.914 -0.101 0.000 2.394 474 V HA 0.236 4.356 4.120 -0.000 0.000 0.282 474 V C -1.173 174.834 176.094 -0.145 0.000 1.031 474 V CA -0.836 61.459 62.300 -0.009 0.000 0.881 474 V CB 0.310 32.132 31.823 -0.000 0.000 0.982 474 V HN 0.611 nan 8.190 nan 0.000 0.451 475 W N 2.949 124.251 121.300 0.004 0.000 2.689 475 W HA 0.728 5.388 4.660 -0.000 0.000 0.340 475 W C -0.069 176.579 176.519 0.214 0.000 1.060 475 W CA -0.587 56.788 57.345 0.050 0.000 1.218 475 W CB 1.272 30.664 29.460 -0.113 0.000 1.410 475 W HN 0.418 nan 8.180 nan 0.000 0.528 476 Q N 1.118 121.197 119.800 0.464 0.000 2.375 476 Q HA 0.476 4.816 4.340 -0.000 0.000 0.271 476 Q C -0.309 175.720 176.000 0.048 0.000 1.074 476 Q CA -0.633 55.323 55.803 0.256 0.000 0.808 476 Q CB 1.972 30.769 28.738 0.098 0.000 1.327 476 Q HN 0.550 nan 8.270 nan 0.000 0.441 477 T N 0.444 114.810 114.554 -0.312 0.000 2.884 477 T HA 0.273 4.623 4.350 -0.000 0.000 0.298 477 T C 0.495 174.943 174.700 -0.419 0.000 0.998 477 T CA -0.472 61.198 62.100 -0.717 0.000 1.124 477 T CB 1.068 69.423 68.868 -0.855 0.000 0.931 477 T HN 0.675 nan 8.240 nan 0.000 0.531 478 K N 1.577 121.651 120.400 -0.542 0.000 2.305 478 K HA 0.184 4.504 4.320 -0.000 0.000 0.199 478 K C -0.025 176.556 176.600 -0.032 0.000 1.047 478 K CA 0.315 56.438 56.287 -0.273 0.000 0.976 478 K CB 0.114 32.433 32.500 -0.303 0.000 0.765 478 K HN 0.852 nan 8.250 nan 0.000 0.474 479 W N -1.372 119.858 121.300 -0.116 0.000 2.961 479 W HA 0.596 5.256 4.660 -0.000 0.000 0.368 479 W C -0.351 176.119 176.519 -0.083 0.000 1.213 479 W CA -1.457 55.844 57.345 -0.074 0.000 1.173 479 W CB -0.100 29.331 29.460 -0.049 0.000 1.487 479 W HN -0.168 nan 8.180 nan 0.000 0.585 480 G N -0.702 108.266 108.800 0.281 0.000 2.557 480 G HA2 0.370 4.330 3.960 -0.000 0.000 0.292 480 G HA3 0.370 4.330 3.960 -0.000 0.000 0.292 480 G C -1.029 174.044 174.900 0.288 0.000 1.237 480 G CA -0.433 44.779 45.100 0.187 0.000 0.978 480 G HN 1.509 nan 8.290 nan 0.000 0.498 481 Y N -1.477 118.862 120.300 0.065 0.000 3.125 481 Y HA -0.175 4.375 4.550 -0.000 0.000 0.200 481 Y C -0.248 175.694 175.900 0.070 0.000 1.373 481 Y CA -0.590 57.550 58.100 0.066 0.000 1.180 481 Y CB -1.430 37.075 38.460 0.075 0.000 1.381 481 Y HN 0.263 nan 8.280 nan 0.000 0.501 482 I N 2.106 122.601 120.570 -0.126 0.000 2.325 482 I HA 0.212 4.382 4.170 -0.000 0.000 0.291 482 I C 1.367 177.435 176.117 -0.082 0.000 1.019 482 I CA 0.535 61.738 61.300 -0.161 0.000 1.302 482 I CB 1.022 38.794 38.000 -0.380 0.000 1.401 482 I HN 0.461 nan 8.210 nan 0.000 0.485 483 T N 0.401 114.899 114.554 -0.093 0.000 3.084 483 T HA 0.187 4.537 4.350 -0.000 0.000 0.270 483 T C 0.612 175.370 174.700 0.097 0.000 1.008 483 T CA -0.315 61.759 62.100 -0.043 0.000 0.900 483 T CB 0.289 69.046 68.868 -0.185 0.000 1.084 483 T HN 0.423 nan 8.240 nan 0.000 0.538 484 S N 0.520 116.312 115.700 0.153 0.000 2.689 484 S HA 0.819 5.289 4.470 -0.000 0.000 0.306 484 S C -0.218 174.459 174.600 0.129 0.000 1.104 484 S CA -0.495 57.785 58.200 0.133 0.000 0.973 484 S CB 1.249 64.492 63.200 0.072 0.000 1.121 484 S HN 0.658 nan 8.310 nan 0.000 0.523 485 A N 2.442 125.142 122.820 -0.199 0.000 2.316 485 A HA 0.672 4.992 4.320 -0.000 0.000 0.284 485 A C -2.696 174.223 177.584 -1.108 0.000 1.115 485 A CA -1.654 49.810 52.037 -0.954 0.000 0.812 485 A CB -0.365 18.110 19.000 -0.876 0.000 1.064 485 A HN 0.613 nan 8.150 nan 0.000 0.489 486 P HA 0.240 nan 4.420 nan 0.000 0.264 486 P C 1.070 177.588 177.300 -1.304 0.000 1.193 486 P CA 2.086 63.913 63.100 -2.121 0.000 0.763 486 P CB 0.719 30.684 31.700 -2.892 0.000 0.810 487 G N 2.210 110.466 108.800 -0.906 0.000 2.258 487 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.233 487 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.233 487 G C 1.186 175.962 174.900 -0.207 0.000 1.006 487 G CA 0.520 45.357 45.100 -0.439 0.000 0.620 487 G HN 0.484 nan 8.290 nan 0.000 0.511 488 S N -0.268 115.298 115.700 -0.224 0.000 2.506 488 S HA 0.286 4.756 4.470 -0.000 0.000 0.219 488 S C 0.084 174.664 174.600 -0.033 0.000 1.031 488 S CA 0.458 58.599 58.200 -0.099 0.000 0.911 488 S CB 0.669 63.807 63.200 -0.103 0.000 0.812 488 S HN 0.531 nan 8.310 nan 0.000 0.497 489 D N 1.367 121.761 120.400 -0.011 0.000 2.408 489 D HA 0.269 4.909 4.640 -0.000 0.000 0.243 489 D C 0.749 177.085 176.300 0.060 0.000 1.075 489 D CA -0.186 53.850 54.000 0.060 0.000 0.832 489 D CB 1.750 42.612 40.800 0.104 0.000 1.162 489 D HN 0.097 nan 8.370 nan 0.000 0.515 490 S N 2.230 117.969 115.700 0.064 0.000 2.584 490 S HA -0.068 4.402 4.470 -0.000 0.000 0.240 490 S C 1.516 176.057 174.600 -0.098 0.000 0.975 490 S CA 0.629 58.869 58.200 0.066 0.000 0.949 490 S CB -0.080 63.212 63.200 0.154 0.000 0.761 490 S HN 0.417 nan 8.310 nan 0.000 0.536 491 A N -0.149 122.468 122.820 -0.338 0.000 2.208 491 A HA 0.296 4.616 4.320 -0.000 0.000 0.209 491 A C 0.211 177.311 177.584 -0.808 0.000 1.161 491 A CA -0.366 51.044 52.037 -1.044 0.000 0.782 491 A CB -0.384 17.844 19.000 -1.288 0.000 0.816 491 A HN 0.697 nan 8.150 nan 0.000 0.477 492 W N -0.834 120.266 121.300 -0.333 0.000 2.390 492 W HA 0.564 5.224 4.660 -0.000 0.000 0.312 492 W C -0.444 176.087 176.519 0.019 0.000 1.123 492 W CA -0.805 56.434 57.345 -0.177 0.000 1.202 492 W CB 1.183 30.498 29.460 -0.241 0.000 1.251 492 W HN 0.070 nan 8.180 nan 0.000 0.511 493 L N 4.327 125.736 121.223 0.310 0.000 2.313 493 L HA 0.423 4.763 4.340 -0.000 0.000 0.283 493 L C -0.085 176.865 176.870 0.133 0.000 1.013 493 L CA -1.229 53.713 54.840 0.171 0.000 0.816 493 L CB 1.079 43.160 42.059 0.037 0.000 1.236 493 L HN 0.306 nan 8.230 nan 0.000 0.419 494 K N 3.680 123.988 120.400 -0.153 0.000 2.378 494 K HA 0.261 4.581 4.320 -0.000 0.000 0.288 494 K C 0.555 176.924 176.600 -0.386 0.000 1.057 494 K CA 0.280 56.160 56.287 -0.680 0.000 0.971 494 K CB 0.559 32.389 32.500 -1.117 0.000 0.975 494 K HN 0.690 nan 8.250 nan 0.000 0.475 495 V N 0.684 120.428 119.914 -0.283 0.000 3.604 495 V HA 0.431 4.551 4.120 -0.000 0.000 0.277 495 V C 0.480 176.490 176.094 -0.139 0.000 1.399 495 V CA 0.286 62.486 62.300 -0.167 0.000 1.034 495 V CB 0.572 32.349 31.823 -0.077 0.000 0.824 495 V HN 0.668 nan 8.190 nan 0.000 0.439 496 G N 0.937 109.645 108.800 -0.153 0.000 2.684 496 G HA2 0.688 4.648 3.960 -0.000 0.000 0.290 496 G HA3 0.688 4.648 3.960 -0.000 0.000 0.290 496 G C -1.198 173.655 174.900 -0.079 0.000 1.425 496 G CA -0.983 44.060 45.100 -0.095 0.000 0.822 496 G HN 0.569 nan 8.290 nan 0.000 0.482 497 R N -0.659 119.788 120.500 -0.088 0.000 2.873 497 R HA 0.863 5.203 4.340 -0.000 0.000 0.264 497 R C -0.374 175.808 176.300 -0.197 0.000 1.026 497 R CA -0.587 55.404 56.100 -0.181 0.000 1.002 497 R CB 1.516 31.710 30.300 -0.178 0.000 1.174 497 R HN 1.073 nan 8.270 nan 0.000 0.488 498 V N 0.000 119.733 119.914 -0.301 0.000 2.409 498 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 498 V CA 0.000 62.179 62.300 -0.201 0.000 1.235 498 V CB 0.000 31.742 31.823 -0.134 0.000 1.184 498 V HN 0.000 nan 8.190 nan 0.000 0.556