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 2zyk_1_C DATA FIRST_RESID 17 DATA SEQUENCE KPDKLVVWEN ADDGVQLNNT KKWAGEFTKK TGIQVEVVPV ALLKQQEKLT DATA SEQUENCE LDGPAGKGAD LVTWPHDRLG EAVTKGLLQP IQVDNSVKNQ FDDVAMKALT DATA SEQUENCE YGGKLYGLPK AIESVALIYN KKLMGQVPAT YDELFQYAKA NNKPDEQKYG DATA SEQUENCE VLFEANNFYY TYFLFAAKGA AVFKEQDGTL DPNEIGLNSP EAVQGMNEVQ DATA SEQUENCE KWFTEARLPQ SLKADTVNGL FKSGKVAAVI NGPWAIKDYQ AAGINVGVAP DATA SEQUENCE LPKIDGKDAQ TFIGVKGWYL SAYSKYPKYA TELMQFLTSK EALASRFKET DATA SEQUENCE GEIPPQKELL NDPMIKNNPV VNGFAKQASK GVPMPSIPEM GVVWEPINNA DATA SEQUENCE HTFVAQGKQT PEQALNDAVK IMKEKIQTMK Q 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 17 K HA 0.000 nan 4.320 nan 0.000 0.191 17 K C 0.000 176.583 176.600 -0.028 0.000 0.988 17 K CA 0.000 56.272 56.287 -0.024 0.000 0.838 17 K CB 0.000 32.479 32.500 -0.034 0.000 1.064 18 P HA 0.328 nan 4.420 nan 0.000 0.208 18 P C -1.282 175.997 177.300 -0.035 0.000 1.863 18 P CA -0.264 62.835 63.100 -0.002 0.000 1.037 18 P CB 0.272 31.996 31.700 0.039 0.000 1.881 19 D N 1.388 121.708 120.400 -0.133 0.000 2.349 19 D HA 0.409 5.048 4.640 -0.001 0.000 0.232 19 D C -0.656 175.489 176.300 -0.259 0.000 1.071 19 D CA -0.382 53.430 54.000 -0.312 0.000 0.832 19 D CB 0.783 41.348 40.800 -0.392 0.000 1.086 19 D HN 0.042 nan 8.370 nan 0.000 0.504 20 K N 4.113 124.349 120.400 -0.273 0.000 2.571 20 K HA 0.336 4.655 4.320 -0.001 0.000 0.252 20 K C -1.702 174.816 176.600 -0.136 0.000 0.956 20 K CA -0.648 55.550 56.287 -0.149 0.000 0.822 20 K CB 0.951 33.417 32.500 -0.056 0.000 1.286 20 K HN 0.378 nan 8.250 nan 0.000 0.439 21 L N 4.094 125.248 121.223 -0.114 0.000 2.275 21 L HA 0.479 4.818 4.340 -0.001 0.000 0.288 21 L C -0.460 176.371 176.870 -0.066 0.000 1.046 21 L CA -1.173 53.617 54.840 -0.083 0.000 0.805 21 L CB 1.760 43.751 42.059 -0.114 0.000 1.193 21 L HN 0.299 nan 8.230 nan 0.000 0.426 22 V N 4.504 124.380 119.914 -0.064 0.000 2.398 22 V HA 0.393 4.512 4.120 -0.001 0.000 0.286 22 V C 0.036 176.053 176.094 -0.129 0.000 1.026 22 V CA -0.594 61.668 62.300 -0.063 0.000 0.868 22 V CB 1.946 33.739 31.823 -0.050 0.000 0.982 22 V HN 0.409 nan 8.190 nan 0.000 0.443 23 V N 3.880 123.765 119.914 -0.049 0.000 2.459 23 V HA 0.472 4.592 4.120 -0.001 0.000 0.295 23 V C -0.929 175.320 176.094 0.257 0.000 1.029 23 V CA -0.731 61.557 62.300 -0.021 0.000 0.874 23 V CB 2.042 33.801 31.823 -0.106 0.000 0.985 23 V HN 0.818 nan 8.190 nan 0.000 0.438 24 W N 3.019 124.418 121.300 0.166 0.000 2.349 24 W HA 0.678 5.338 4.660 -0.001 0.000 0.309 24 W C 0.122 176.795 176.519 0.257 0.000 1.083 24 W CA -0.885 56.572 57.345 0.186 0.000 1.224 24 W CB 1.168 30.737 29.460 0.181 0.000 1.256 24 W HN 0.588 nan 8.180 nan 0.000 0.461 25 E N 2.107 122.545 120.200 0.396 0.000 2.277 25 E HA 0.248 4.597 4.350 -0.001 0.000 0.266 25 E C -0.117 176.563 176.600 0.132 0.000 0.901 25 E CA -0.720 55.843 56.400 0.272 0.000 0.782 25 E CB 0.883 30.753 29.700 0.282 0.000 1.228 25 E HN 0.166 nan 8.360 nan 0.000 0.424 26 N N 1.640 120.374 118.700 0.056 0.000 2.217 26 N HA -0.084 4.656 4.740 -0.001 0.000 0.268 26 N C -0.924 174.590 175.510 0.006 0.000 1.290 26 N CA 0.692 53.742 53.050 0.001 0.000 0.831 26 N CB 0.548 39.010 38.487 -0.041 0.000 1.057 26 N HN 0.516 nan 8.380 nan 0.000 0.481 27 A N 3.197 126.006 122.820 -0.018 0.000 3.118 27 A HA 0.028 4.347 4.320 -0.001 0.000 0.256 27 A C 0.907 178.482 177.584 -0.015 0.000 1.667 27 A CA -0.468 51.559 52.037 -0.017 0.000 1.338 27 A CB -0.419 18.557 19.000 -0.040 0.000 1.127 27 A HN 0.713 nan 8.150 nan 0.000 0.634 28 D N -0.018 120.381 120.400 -0.003 0.000 2.340 28 D HA -0.077 4.563 4.640 -0.001 0.000 0.220 28 D C 0.294 176.600 176.300 0.010 0.000 1.039 28 D CA 0.416 54.416 54.000 -0.000 0.000 0.866 28 D CB -0.282 40.519 40.800 0.002 0.000 0.913 28 D HN 0.428 nan 8.370 nan 0.000 0.523 29 D N -0.850 119.557 120.400 0.013 0.000 2.701 29 D HA -0.153 4.486 4.640 -0.001 0.000 0.235 29 D C 0.535 176.848 176.300 0.022 0.000 1.155 29 D CA 1.478 55.488 54.000 0.017 0.000 0.649 29 D CB -0.976 39.831 40.800 0.012 0.000 1.050 29 D HN 0.525 nan 8.370 nan 0.000 0.425 30 G N -2.471 106.346 108.800 0.027 0.000 3.218 30 G HA2 0.178 4.138 3.960 -0.001 0.000 0.143 30 G HA3 0.178 4.138 3.960 -0.001 0.000 0.143 30 G C 0.556 175.478 174.900 0.037 0.000 1.220 30 G CA 0.083 45.201 45.100 0.030 0.000 1.382 30 G HN 0.289 nan 8.290 nan 0.000 0.682 31 V N 1.182 121.116 119.914 0.033 0.000 2.719 31 V HA -0.028 4.092 4.120 -0.001 0.000 0.252 31 V C 2.751 178.875 176.094 0.051 0.000 1.065 31 V CA 2.522 64.844 62.300 0.037 0.000 1.086 31 V CB -0.081 31.755 31.823 0.022 0.000 0.700 31 V HN 0.570 nan 8.190 nan 0.000 0.467 32 Q N -1.032 118.794 119.800 0.044 0.000 2.062 32 Q HA -0.128 4.211 4.340 -0.001 0.000 0.196 32 Q C 2.221 178.272 176.000 0.085 0.000 0.967 32 Q CA 1.261 57.095 55.803 0.052 0.000 0.832 32 Q CB -0.215 28.535 28.738 0.020 0.000 0.899 32 Q HN 0.460 nan 8.270 nan 0.000 0.442 33 L N 1.646 122.915 121.223 0.076 0.000 2.012 33 L HA -0.230 4.110 4.340 -0.001 0.000 0.210 33 L C 1.921 178.857 176.870 0.110 0.000 1.073 33 L CA 2.048 56.946 54.840 0.096 0.000 0.748 33 L CB -0.638 41.463 42.059 0.071 0.000 0.891 33 L HN 0.202 nan 8.230 nan 0.000 0.431 34 N N -0.757 117.998 118.700 0.091 0.000 2.166 34 N HA -0.246 4.493 4.740 -0.001 0.000 0.186 34 N C 1.842 177.428 175.510 0.126 0.000 1.019 34 N CA 1.543 54.646 53.050 0.089 0.000 0.856 34 N CB -0.304 38.222 38.487 0.064 0.000 0.993 34 N HN 0.441 nan 8.380 nan 0.000 0.426 35 N N -0.953 117.845 118.700 0.164 0.000 2.188 35 N HA -0.090 4.650 4.740 -0.001 0.000 0.184 35 N C 0.915 176.644 175.510 0.365 0.000 1.018 35 N CA 1.453 54.660 53.050 0.263 0.000 0.858 35 N CB -0.065 38.568 38.487 0.242 0.000 0.989 35 N HN 0.283 nan 8.380 nan 0.000 0.426 36 T N 1.278 116.011 114.554 0.297 0.000 2.777 36 T HA -0.025 4.325 4.350 -0.001 0.000 0.266 36 T C 1.855 176.703 174.700 0.247 0.000 1.040 36 T CA 0.810 63.106 62.100 0.326 0.000 1.141 36 T CB 0.017 69.097 68.868 0.354 0.000 0.868 36 T HN 0.265 nan 8.240 nan 0.000 0.444 37 K N 1.022 121.530 120.400 0.180 0.000 2.063 37 K HA -0.136 4.184 4.320 -0.001 0.000 0.208 37 K C 2.400 179.057 176.600 0.096 0.000 1.048 37 K CA 1.225 57.584 56.287 0.120 0.000 0.928 37 K CB -0.156 32.396 32.500 0.088 0.000 0.713 37 K HN 0.283 nan 8.250 nan 0.000 0.442 38 K N 0.115 120.567 120.400 0.086 0.000 2.026 38 K HA -0.175 4.145 4.320 -0.001 0.000 0.208 38 K C 1.765 178.293 176.600 -0.119 0.000 1.048 38 K CA 1.586 57.840 56.287 -0.055 0.000 0.929 38 K CB -0.122 32.307 32.500 -0.118 0.000 0.713 38 K HN 0.168 nan 8.250 nan 0.000 0.439 39 W N 0.368 121.758 121.300 0.151 0.000 2.518 39 W HA 0.136 4.796 4.660 -0.001 0.000 0.273 39 W C 2.273 178.945 176.519 0.254 0.000 1.247 39 W CA 0.646 58.131 57.345 0.233 0.000 1.288 39 W CB -0.117 29.473 29.460 0.216 0.000 1.107 39 W HN 0.202 nan 8.180 nan 0.000 0.586 40 A N 0.525 123.524 122.820 0.297 0.000 1.933 40 A HA -0.072 4.248 4.320 -0.001 0.000 0.218 40 A C 2.264 179.933 177.584 0.142 0.000 1.175 40 A CA 1.961 54.092 52.037 0.157 0.000 0.628 40 A CB -1.396 17.648 19.000 0.074 0.000 0.814 40 A HN 0.304 nan 8.150 nan 0.000 0.444 41 G N -0.611 108.246 108.800 0.095 0.000 2.408 41 G HA2 -0.138 3.822 3.960 -0.001 0.000 0.217 41 G HA3 -0.138 3.822 3.960 -0.001 0.000 0.217 41 G C 1.367 176.283 174.900 0.026 0.000 1.150 41 G CA 0.882 46.004 45.100 0.037 0.000 0.776 41 G HN 0.461 nan 8.290 nan 0.000 0.542 42 E N 0.279 120.519 120.200 0.067 0.000 2.077 42 E HA -0.118 4.232 4.350 -0.001 0.000 0.193 42 E C 2.032 178.652 176.600 0.034 0.000 0.989 42 E CA 0.478 56.950 56.400 0.121 0.000 0.800 42 E CB -0.512 29.331 29.700 0.238 0.000 0.746 42 E HN 0.496 nan 8.360 nan 0.000 0.452 43 F N 2.011 121.784 119.950 -0.294 0.000 2.161 43 F HA -0.226 4.301 4.527 -0.001 0.000 0.300 43 F C 2.295 177.870 175.800 -0.375 0.000 1.089 43 F CA 1.771 59.304 58.000 -0.779 0.000 1.282 43 F CB -0.145 38.448 39.000 -0.679 0.000 1.010 43 F HN -0.058 nan 8.300 nan 0.000 0.485 44 T N 0.187 114.669 114.554 -0.120 0.000 2.821 44 T HA -0.161 4.189 4.350 -0.001 0.000 0.267 44 T C 1.860 176.453 174.700 -0.179 0.000 1.046 44 T CA 1.426 63.440 62.100 -0.144 0.000 1.139 44 T CB -0.192 68.657 68.868 -0.032 0.000 0.871 44 T HN 0.245 nan 8.240 nan 0.000 0.454 45 K N 0.873 121.191 120.400 -0.135 0.000 2.097 45 K HA -0.062 4.258 4.320 -0.001 0.000 0.206 45 K C 2.375 178.891 176.600 -0.140 0.000 1.049 45 K CA 1.005 57.229 56.287 -0.106 0.000 0.933 45 K CB -0.035 32.431 32.500 -0.056 0.000 0.717 45 K HN 0.231 nan 8.250 nan 0.000 0.442 46 K N 0.457 120.726 120.400 -0.219 0.000 2.098 46 K HA -0.082 4.237 4.320 -0.001 0.000 0.203 46 K C 1.920 178.341 176.600 -0.297 0.000 1.051 46 K CA 1.708 57.860 56.287 -0.225 0.000 0.957 46 K CB 0.223 32.583 32.500 -0.234 0.000 0.738 46 K HN 0.214 nan 8.250 nan 0.000 0.447 47 T N -4.437 109.834 114.554 -0.473 0.000 3.018 47 T HA 0.236 4.585 4.350 -0.001 0.000 0.246 47 T C 1.368 175.903 174.700 -0.275 0.000 1.026 47 T CA 0.616 62.455 62.100 -0.436 0.000 1.081 47 T CB 0.586 69.000 68.868 -0.756 0.000 0.970 47 T HN 0.331 nan 8.240 nan 0.000 0.475 48 G N 1.638 110.285 108.800 -0.253 0.000 2.175 48 G HA2 -0.145 3.814 3.960 -0.001 0.000 0.244 48 G HA3 -0.145 3.814 3.960 -0.001 0.000 0.244 48 G C -0.062 174.745 174.900 -0.156 0.000 0.982 48 G CA -0.045 44.955 45.100 -0.166 0.000 0.641 48 G HN 0.556 nan 8.290 nan 0.000 0.527 49 I N 2.014 122.476 120.570 -0.179 0.000 2.312 49 I HA 0.300 4.469 4.170 -0.001 0.000 0.291 49 I C 0.525 176.618 176.117 -0.041 0.000 1.031 49 I CA -1.020 60.209 61.300 -0.118 0.000 1.293 49 I CB 0.912 38.879 38.000 -0.056 0.000 1.403 49 I HN 0.082 nan 8.210 nan 0.000 0.484 50 Q N 5.008 124.771 119.800 -0.062 0.000 2.330 50 Q HA 0.264 4.604 4.340 -0.001 0.000 0.279 50 Q C -0.453 175.539 176.000 -0.012 0.000 1.024 50 Q CA -0.015 55.768 55.803 -0.032 0.000 0.900 50 Q CB 1.653 30.365 28.738 -0.043 0.000 1.221 50 Q HN 0.376 nan 8.270 nan 0.000 0.396 51 V N 2.077 121.997 119.914 0.009 0.000 2.443 51 V HA 0.202 4.321 4.120 -0.001 0.000 0.293 51 V C -0.036 176.065 176.094 0.010 0.000 1.021 51 V CA -0.773 61.526 62.300 -0.002 0.000 0.848 51 V CB 1.685 33.504 31.823 -0.006 0.000 0.998 51 V HN 0.717 nan 8.190 nan 0.000 0.424 52 E N 4.115 124.323 120.200 0.014 0.000 2.130 52 E HA 0.456 4.806 4.350 -0.001 0.000 0.284 52 E C -1.112 175.531 176.600 0.072 0.000 1.018 52 E CA -0.467 55.961 56.400 0.046 0.000 0.817 52 E CB 1.473 31.207 29.700 0.056 0.000 1.078 52 E HN 0.536 nan 8.360 nan 0.000 0.396 53 V N 5.667 125.634 119.914 0.087 0.000 2.348 53 V HA 0.185 4.305 4.120 -0.001 0.000 0.270 53 V C -0.086 176.103 176.094 0.158 0.000 1.037 53 V CA -0.732 61.645 62.300 0.129 0.000 0.872 53 V CB 1.103 33.000 31.823 0.123 0.000 1.002 53 V HN 0.464 nan 8.190 nan 0.000 0.464 54 V N 8.135 128.194 119.914 0.241 0.000 2.370 54 V HA 0.353 4.472 4.120 -0.001 0.000 0.279 54 V C -2.053 174.127 176.094 0.143 0.000 1.029 54 V CA -2.006 60.419 62.300 0.209 0.000 0.870 54 V CB 1.817 33.826 31.823 0.310 0.000 0.984 54 V HN 0.708 nan 8.190 nan 0.000 0.451 55 P HA 0.206 nan 4.420 nan 0.000 0.271 55 P C -0.861 176.392 177.300 -0.078 0.000 1.233 55 P CA 0.221 63.331 63.100 0.016 0.000 0.764 55 P CB 1.058 32.763 31.700 0.008 0.000 0.825 56 V N 2.741 122.600 119.914 -0.093 0.000 2.841 56 V HA 0.519 4.639 4.120 -0.001 0.000 0.310 56 V C 0.317 176.350 176.094 -0.101 0.000 1.090 56 V CA -1.387 60.800 62.300 -0.189 0.000 0.930 56 V CB 1.928 33.505 31.823 -0.411 0.000 1.014 56 V HN 0.639 nan 8.190 nan 0.000 0.425 57 A N 2.734 125.485 122.820 -0.115 0.000 2.566 57 A HA 0.224 4.543 4.320 -0.001 0.000 0.245 57 A C 1.218 178.760 177.584 -0.069 0.000 1.056 57 A CA 0.371 52.352 52.037 -0.094 0.000 0.757 57 A CB -0.144 18.792 19.000 -0.107 0.000 0.979 57 A HN 1.211 nan 8.150 nan 0.000 0.508 58 L N 3.129 124.315 121.223 -0.062 0.000 2.021 58 L HA -0.191 4.148 4.340 -0.001 0.000 0.215 58 L C 1.744 178.604 176.870 -0.017 0.000 1.074 58 L CA 2.097 56.922 54.840 -0.026 0.000 0.760 58 L CB -0.233 41.767 42.059 -0.097 0.000 0.889 58 L HN 0.739 nan 8.230 nan 0.000 0.433 59 L N -0.923 120.232 121.223 -0.113 0.000 2.612 59 L HA 0.043 4.382 4.340 -0.001 0.000 0.230 59 L C 1.774 178.543 176.870 -0.169 0.000 1.140 59 L CA 0.237 54.977 54.840 -0.168 0.000 0.896 59 L CB -0.301 41.614 42.059 -0.239 0.000 1.065 59 L HN 0.191 nan 8.230 nan 0.000 0.447 60 K N -0.746 119.578 120.400 -0.126 0.000 2.374 60 K HA 0.109 4.429 4.320 -0.001 0.000 0.202 60 K C 1.458 177.990 176.600 -0.115 0.000 1.040 60 K CA -0.076 56.129 56.287 -0.136 0.000 1.085 60 K CB 0.598 33.017 32.500 -0.135 0.000 0.873 60 K HN 0.324 nan 8.250 nan 0.000 0.539 61 Q N 0.782 120.570 119.800 -0.020 0.000 2.119 61 Q HA -0.193 4.147 4.340 -0.001 0.000 0.201 61 Q C 2.035 178.144 176.000 0.181 0.000 0.972 61 Q CA 1.386 57.301 55.803 0.186 0.000 0.847 61 Q CB 0.108 29.174 28.738 0.546 0.000 0.903 61 Q HN 0.303 nan 8.270 nan 0.000 0.433 62 Q N 0.734 120.349 119.800 -0.308 0.000 2.084 62 Q HA -0.239 4.100 4.340 -0.001 0.000 0.202 62 Q C 1.810 177.669 176.000 -0.234 0.000 0.978 62 Q CA 1.503 56.892 55.803 -0.690 0.000 0.844 62 Q CB 0.104 28.047 28.738 -1.324 0.000 0.898 62 Q HN 0.127 nan 8.270 nan 0.000 0.426 63 E N 0.547 120.635 120.200 -0.187 0.000 2.152 63 E HA -0.143 4.207 4.350 -0.001 0.000 0.192 63 E C 1.628 178.213 176.600 -0.025 0.000 0.983 63 E CA 1.190 57.529 56.400 -0.102 0.000 0.818 63 E CB 0.002 29.633 29.700 -0.114 0.000 0.758 63 E HN 0.294 nan 8.360 nan 0.000 0.467 64 K N -0.456 119.941 120.400 -0.005 0.000 2.103 64 K HA -0.087 4.233 4.320 -0.001 0.000 0.204 64 K C 1.993 178.743 176.600 0.250 0.000 1.052 64 K CA 0.961 57.265 56.287 0.028 0.000 0.945 64 K CB -0.148 32.239 32.500 -0.187 0.000 0.722 64 K HN 0.175 nan 8.250 nan 0.000 0.443 65 L N 1.097 122.566 121.223 0.409 0.000 2.141 65 L HA -0.103 4.237 4.340 -0.001 0.000 0.209 65 L C 1.877 178.879 176.870 0.220 0.000 1.094 65 L CA 1.766 56.868 54.840 0.437 0.000 0.763 65 L CB -0.557 41.805 42.059 0.505 0.000 0.908 65 L HN 0.151 nan 8.230 nan 0.000 0.437 66 T N -0.448 114.186 114.554 0.134 0.000 2.759 66 T HA -0.224 4.125 4.350 -0.001 0.000 0.269 66 T C 1.805 176.520 174.700 0.026 0.000 1.042 66 T CA 2.056 64.198 62.100 0.069 0.000 1.140 66 T CB -0.264 68.614 68.868 0.017 0.000 0.864 66 T HN 0.338 nan 8.240 nan 0.000 0.455 67 L N 0.127 121.370 121.223 0.033 0.000 2.145 67 L HA 0.080 4.419 4.340 -0.001 0.000 0.201 67 L C 1.872 178.745 176.870 0.004 0.000 1.075 67 L CA 1.273 56.117 54.840 0.007 0.000 0.773 67 L CB 0.014 42.079 42.059 0.009 0.000 0.936 67 L HN -0.012 nan 8.230 nan 0.000 0.451 68 D N -0.346 120.100 120.400 0.078 0.000 2.234 68 D HA -0.053 4.587 4.640 -0.001 0.000 0.205 68 D C 1.948 178.248 176.300 -0.001 0.000 0.962 68 D CA 1.070 55.129 54.000 0.098 0.000 0.855 68 D CB -0.188 40.782 40.800 0.283 0.000 0.951 68 D HN 0.466 nan 8.370 nan 0.000 0.500 69 G N 1.579 110.340 108.800 -0.066 0.000 2.505 69 G HA2 -0.162 3.798 3.960 -0.001 0.000 0.214 69 G HA3 -0.162 3.798 3.960 -0.001 0.000 0.214 69 G C -0.712 173.715 174.900 -0.789 0.000 1.237 69 G CA 0.343 45.270 45.100 -0.288 0.000 0.802 69 G HN 0.237 nan 8.290 nan 0.000 0.549 70 P HA -0.056 nan 4.420 nan 0.000 0.219 70 P C 1.549 178.650 177.300 -0.331 0.000 1.144 70 P CA 1.788 64.447 63.100 -0.735 0.000 0.806 70 P CB -0.056 31.420 31.700 -0.373 0.000 0.771 71 A N -1.288 121.398 122.820 -0.223 0.000 2.275 71 A HA 0.464 4.783 4.320 -0.001 0.000 0.212 71 A C 1.554 179.091 177.584 -0.078 0.000 1.201 71 A CA 0.542 52.514 52.037 -0.109 0.000 0.843 71 A CB -1.145 17.819 19.000 -0.060 0.000 0.873 71 A HN 0.222 nan 8.150 nan 0.000 0.492 72 G N -0.101 108.635 108.800 -0.106 0.000 2.198 72 G HA2 -0.249 3.710 3.960 -0.001 0.000 0.260 72 G HA3 -0.249 3.710 3.960 -0.001 0.000 0.260 72 G C 0.590 175.484 174.900 -0.011 0.000 1.025 72 G CA 0.669 45.740 45.100 -0.048 0.000 0.769 72 G HN 0.419 nan 8.290 nan 0.000 0.507 73 K N -0.064 120.339 120.400 0.005 0.000 2.402 73 K HA 0.262 4.581 4.320 -0.001 0.000 0.204 73 K C 1.395 178.058 176.600 0.104 0.000 1.056 73 K CA 0.388 56.712 56.287 0.061 0.000 1.069 73 K CB 1.061 33.608 32.500 0.079 0.000 0.888 73 K HN 0.469 nan 8.250 nan 0.000 0.546 74 G N 1.099 109.918 108.800 0.032 0.000 2.537 74 G HA2 0.451 4.411 3.960 -0.001 0.000 0.273 74 G HA3 0.451 4.411 3.960 -0.001 0.000 0.273 74 G C -0.152 174.561 174.900 -0.312 0.000 1.189 74 G CA -0.342 44.711 45.100 -0.080 0.000 0.881 74 G HN 0.185 nan 8.290 nan 0.000 0.535 75 A N 0.135 122.393 122.820 -0.936 0.000 2.406 75 A HA 0.289 4.609 4.320 -0.001 0.000 0.243 75 A C 1.121 178.455 177.584 -0.418 0.000 1.082 75 A CA 0.073 51.582 52.037 -0.879 0.000 0.786 75 A CB 0.293 18.294 19.000 -1.665 0.000 1.029 75 A HN 0.678 nan 8.150 nan 0.000 0.495 76 D N -0.592 119.652 120.400 -0.260 0.000 2.162 76 D HA 0.043 4.682 4.640 -0.001 0.000 0.205 76 D C -0.271 175.945 176.300 -0.140 0.000 0.964 76 D CA 1.124 55.044 54.000 -0.133 0.000 0.847 76 D CB 0.027 40.790 40.800 -0.062 0.000 0.988 76 D HN 0.206 nan 8.370 nan 0.000 0.480 77 L N 1.392 122.504 121.223 -0.185 0.000 2.333 77 L HA 0.291 4.630 4.340 -0.001 0.000 0.280 77 L C -0.155 176.731 176.870 0.026 0.000 1.004 77 L CA -1.044 53.723 54.840 -0.121 0.000 0.820 77 L CB 1.739 43.605 42.059 -0.322 0.000 1.247 77 L HN -0.180 nan 8.230 nan 0.000 0.416 78 V N 0.091 120.095 119.914 0.150 0.000 3.001 78 V HA 0.930 5.050 4.120 -0.001 0.000 0.314 78 V C -0.531 175.617 176.094 0.089 0.000 1.099 78 V CA -0.475 61.965 62.300 0.234 0.000 0.989 78 V CB 2.075 34.023 31.823 0.208 0.000 1.040 78 V HN 0.744 nan 8.190 nan 0.000 0.434 79 T N 3.178 117.756 114.554 0.041 0.000 2.916 79 T HA 0.802 5.152 4.350 -0.001 0.000 0.298 79 T C -1.691 173.029 174.700 0.034 0.000 1.031 79 T CA -0.116 61.798 62.100 -0.310 0.000 0.993 79 T CB 1.135 69.585 68.868 -0.697 0.000 1.045 79 T HN 1.600 nan 8.240 nan 0.000 0.454 80 W N 2.829 124.172 121.300 0.071 0.000 3.153 80 W HA 0.656 5.316 4.660 -0.001 0.000 0.316 80 W C -3.387 173.173 176.519 0.068 0.000 1.255 80 W CA -2.224 55.146 57.345 0.043 0.000 1.192 80 W CB -0.644 28.852 29.460 0.061 0.000 1.400 80 W HN 0.478 nan 8.180 nan 0.000 0.568 81 P HA 0.012 nan 4.420 nan 0.000 0.268 81 P C 0.664 178.103 177.300 0.230 0.000 1.208 81 P CA 0.630 63.794 63.100 0.108 0.000 0.777 81 P CB 0.387 32.021 31.700 -0.111 0.000 0.875 82 H N 0.805 119.961 119.070 0.144 0.000 2.546 82 H HA -0.091 4.465 4.556 -0.001 0.000 0.277 82 H C 1.150 176.538 175.328 0.099 0.000 1.004 82 H CA 0.978 57.120 56.048 0.156 0.000 1.231 82 H CB -0.600 29.225 29.762 0.105 0.000 1.382 82 H HN 0.346 nan 8.280 nan 0.000 0.580 83 D N 1.763 121.892 120.400 -0.452 0.000 2.182 83 D HA -0.220 4.419 4.640 -0.001 0.000 0.201 83 D C 1.470 177.730 176.300 -0.068 0.000 0.986 83 D CA 0.941 54.758 54.000 -0.306 0.000 0.847 83 D CB -0.287 40.424 40.800 -0.149 0.000 0.942 83 D HN 0.511 nan 8.370 nan 0.000 0.467 84 R N -0.381 120.109 120.500 -0.017 0.000 2.427 84 R HA 0.242 4.582 4.340 -0.001 0.000 0.262 84 R C 0.211 176.482 176.300 -0.049 0.000 0.943 84 R CA -0.643 55.424 56.100 -0.056 0.000 1.081 84 R CB 0.271 30.469 30.300 -0.170 0.000 1.166 84 R HN 0.115 nan 8.270 nan 0.000 0.534 85 L N 0.125 121.330 121.223 -0.030 0.000 2.416 85 L HA 0.224 4.563 4.340 -0.001 0.000 0.272 85 L C 1.091 177.699 176.870 -0.437 0.000 1.161 85 L CA 1.479 56.191 54.840 -0.213 0.000 0.845 85 L CB 1.000 42.956 42.059 -0.172 0.000 1.119 85 L HN 0.393 nan 8.230 nan 0.000 0.464 86 G N 2.615 110.957 108.800 -0.763 0.000 3.211 86 G HA2 -0.297 3.663 3.960 -0.001 0.000 0.206 86 G HA3 -0.297 3.663 3.960 -0.001 0.000 0.206 86 G C 1.013 175.526 174.900 -0.644 0.000 1.418 86 G CA 0.366 44.697 45.100 -1.283 0.000 0.958 86 G HN 0.720 nan 8.290 nan 0.000 0.567 87 E N 1.375 121.351 120.200 -0.373 0.000 2.070 87 E HA -0.058 4.292 4.350 -0.001 0.000 0.197 87 E C 2.731 179.214 176.600 -0.195 0.000 1.004 87 E CA 2.250 58.517 56.400 -0.223 0.000 0.805 87 E CB -0.323 29.279 29.700 -0.165 0.000 0.744 87 E HN 0.887 nan 8.360 nan 0.000 0.451 88 A N 0.410 123.114 122.820 -0.194 0.000 1.968 88 A HA -0.061 4.258 4.320 -0.001 0.000 0.217 88 A C 2.369 179.880 177.584 -0.122 0.000 1.169 88 A CA 1.100 53.080 52.037 -0.096 0.000 0.638 88 A CB -0.370 18.680 19.000 0.083 0.000 0.812 88 A HN 0.219 nan 8.150 nan 0.000 0.446 89 V N -0.546 119.197 119.914 -0.286 0.000 2.270 89 V HA -0.217 3.902 4.120 -0.001 0.000 0.245 89 V C 2.723 178.746 176.094 -0.118 0.000 1.043 89 V CA 2.498 64.627 62.300 -0.286 0.000 1.014 89 V CB -1.296 30.196 31.823 -0.552 0.000 0.645 89 V HN 0.551 nan 8.190 nan 0.000 0.447 90 T N -0.400 114.072 114.554 -0.136 0.000 2.737 90 T HA -0.224 4.125 4.350 -0.001 0.000 0.269 90 T C 1.590 176.277 174.700 -0.022 0.000 1.040 90 T CA 1.457 63.532 62.100 -0.042 0.000 1.142 90 T CB -0.263 68.575 68.868 -0.050 0.000 0.861 90 T HN 0.433 nan 8.240 nan 0.000 0.456 91 K N 0.405 120.784 120.400 -0.034 0.000 2.546 91 K HA 0.269 4.589 4.320 -0.001 0.000 0.198 91 K C 1.265 177.886 176.600 0.035 0.000 1.028 91 K CA 0.224 56.512 56.287 0.002 0.000 1.150 91 K CB 0.082 32.579 32.500 -0.005 0.000 0.876 91 K HN 0.372 nan 8.250 nan 0.000 0.508 92 G N 1.328 110.137 108.800 0.015 0.000 2.203 92 G HA2 -0.286 3.673 3.960 -0.001 0.000 0.263 92 G HA3 -0.286 3.673 3.960 -0.001 0.000 0.263 92 G C 0.615 175.505 174.900 -0.018 0.000 1.012 92 G CA 0.148 45.249 45.100 0.002 0.000 0.749 92 G HN 0.352 nan 8.290 nan 0.000 0.512 93 L N -1.828 119.424 121.223 0.049 0.000 2.313 93 L HA 0.309 4.649 4.340 -0.001 0.000 0.214 93 L C 0.869 177.786 176.870 0.078 0.000 1.119 93 L CA 0.570 55.492 54.840 0.137 0.000 0.809 93 L CB 0.031 42.206 42.059 0.192 0.000 0.933 93 L HN 0.252 nan 8.230 nan 0.000 0.449 94 L N -0.685 120.563 121.223 0.041 0.000 2.401 94 L HA 0.338 4.678 4.340 -0.001 0.000 0.266 94 L C -0.381 176.595 176.870 0.177 0.000 0.991 94 L CA -0.349 54.547 54.840 0.093 0.000 0.818 94 L CB 1.924 44.025 42.059 0.069 0.000 1.321 94 L HN 0.045 nan 8.230 nan 0.000 0.413 95 Q N 3.642 123.529 119.800 0.146 0.000 2.306 95 Q HA 0.705 5.045 4.340 -0.001 0.000 0.265 95 Q C -2.682 173.292 176.000 -0.043 0.000 1.022 95 Q CA -2.009 53.851 55.803 0.096 0.000 0.853 95 Q CB 1.972 30.695 28.738 -0.025 0.000 1.327 95 Q HN 0.293 nan 8.270 nan 0.000 0.449 96 P HA 0.067 nan 4.420 nan 0.000 0.270 96 P C -0.512 176.619 177.300 -0.282 0.000 1.223 96 P CA -0.040 62.651 63.100 -0.681 0.000 0.785 96 P CB 0.515 31.817 31.700 -0.663 0.000 0.923 97 I N -2.186 118.246 120.570 -0.230 0.000 2.750 97 I HA 0.597 4.767 4.170 -0.001 0.000 0.308 97 I C -0.254 175.805 176.117 -0.096 0.000 1.016 97 I CA -1.267 59.963 61.300 -0.115 0.000 1.098 97 I CB 1.567 39.527 38.000 -0.066 0.000 1.279 97 I HN 0.020 nan 8.210 nan 0.000 0.454 98 Q N 3.381 123.142 119.800 -0.064 0.000 2.357 98 Q HA 0.664 5.003 4.340 -0.001 0.000 0.266 98 Q C -1.199 174.785 176.000 -0.028 0.000 1.021 98 Q CA -0.483 55.291 55.803 -0.048 0.000 0.784 98 Q CB 1.938 30.648 28.738 -0.046 0.000 1.243 98 Q HN 0.672 nan 8.270 nan 0.000 0.465 99 V N -0.735 119.170 119.914 -0.015 0.000 2.841 99 V HA 0.578 4.698 4.120 -0.001 0.000 0.310 99 V C -0.252 175.849 176.094 0.012 0.000 1.090 99 V CA -1.198 61.105 62.300 0.006 0.000 0.930 99 V CB 2.205 34.045 31.823 0.029 0.000 1.014 99 V HN 0.565 nan 8.190 nan 0.000 0.425 100 D N 2.364 122.771 120.400 0.013 0.000 2.443 100 D HA -0.031 4.609 4.640 -0.001 0.000 0.234 100 D C 0.764 177.074 176.300 0.017 0.000 1.172 100 D CA 0.731 54.737 54.000 0.009 0.000 0.878 100 D CB 0.923 41.727 40.800 0.006 0.000 1.204 100 D HN 0.794 nan 8.370 nan 0.000 0.453 101 N N 0.204 118.909 118.700 0.009 0.000 2.142 101 N HA -0.172 4.568 4.740 -0.001 0.000 0.186 101 N C 1.851 177.365 175.510 0.008 0.000 1.023 101 N CA 1.428 54.485 53.050 0.012 0.000 0.852 101 N CB 0.052 38.541 38.487 0.004 0.000 0.998 101 N HN 0.363 nan 8.380 nan 0.000 0.424 102 S N -0.901 114.796 115.700 -0.005 0.000 2.419 102 S HA -0.113 4.357 4.470 -0.001 0.000 0.235 102 S C 1.988 176.567 174.600 -0.035 0.000 1.019 102 S CA 1.146 59.332 58.200 -0.023 0.000 0.982 102 S CB -0.695 62.490 63.200 -0.025 0.000 0.789 102 S HN 0.086 nan 8.310 nan 0.000 0.490 103 V N 1.947 121.860 119.914 -0.001 0.000 2.453 103 V HA -0.066 4.054 4.120 -0.001 0.000 0.247 103 V C 2.652 178.807 176.094 0.102 0.000 1.048 103 V CA 1.706 64.022 62.300 0.026 0.000 1.049 103 V CB -0.564 31.304 31.823 0.075 0.000 0.672 103 V HN 0.491 nan 8.190 nan 0.000 0.457 104 K N 0.171 120.644 120.400 0.123 0.000 2.057 104 K HA -0.147 4.173 4.320 -0.001 0.000 0.206 104 K C 1.936 178.619 176.600 0.139 0.000 1.050 104 K CA 1.560 57.966 56.287 0.199 0.000 0.935 104 K CB -0.317 32.248 32.500 0.110 0.000 0.715 104 K HN 0.476 nan 8.250 nan 0.000 0.439 105 N N 1.010 119.725 118.700 0.024 0.000 2.443 105 N HA -0.151 4.588 4.740 -0.001 0.000 0.184 105 N C 1.532 176.980 175.510 -0.104 0.000 1.037 105 N CA 0.376 53.413 53.050 -0.022 0.000 0.896 105 N CB 0.181 38.648 38.487 -0.033 0.000 0.959 105 N HN 0.248 nan 8.380 nan 0.000 0.442 106 Q N -0.688 118.961 119.800 -0.251 0.000 2.291 106 Q HA -0.074 4.265 4.340 -0.001 0.000 0.205 106 Q C -0.384 175.288 176.000 -0.547 0.000 0.970 106 Q CA 0.720 56.221 55.803 -0.503 0.000 0.876 106 Q CB 0.173 28.408 28.738 -0.839 0.000 0.935 106 Q HN 0.255 nan 8.270 nan 0.000 0.455 107 F N 0.124 120.055 119.950 -0.033 0.000 2.470 107 F HA 0.209 4.736 4.527 -0.001 0.000 0.329 107 F C 0.282 176.064 175.800 -0.030 0.000 1.072 107 F CA -1.885 56.095 58.000 -0.034 0.000 0.989 107 F CB 0.855 39.836 39.000 -0.032 0.000 1.193 107 F HN -0.188 nan 8.300 nan 0.000 0.481 108 D N 0.796 121.298 120.400 0.171 0.000 2.400 108 D HA 0.000 4.640 4.640 -0.001 0.000 0.238 108 D C 0.600 176.942 176.300 0.071 0.000 1.157 108 D CA 0.199 54.248 54.000 0.080 0.000 0.889 108 D CB 0.762 41.594 40.800 0.053 0.000 1.199 108 D HN 0.427 nan 8.370 nan 0.000 0.436 109 D N 1.939 122.364 120.400 0.042 0.000 2.149 109 D HA -0.104 4.536 4.640 -0.001 0.000 0.201 109 D C 2.068 178.377 176.300 0.015 0.000 0.972 109 D CA 0.610 54.629 54.000 0.031 0.000 0.835 109 D CB -0.028 40.786 40.800 0.024 0.000 0.966 109 D HN 0.216 nan 8.370 nan 0.000 0.476 110 V N 1.489 121.409 119.914 0.009 0.000 2.343 110 V HA -0.224 3.896 4.120 -0.001 0.000 0.247 110 V C 2.539 178.605 176.094 -0.047 0.000 1.051 110 V CA 1.756 64.050 62.300 -0.010 0.000 1.036 110 V CB -0.790 31.034 31.823 0.002 0.000 0.654 110 V HN 0.169 nan 8.190 nan 0.000 0.451 111 A N -0.350 122.449 122.820 -0.034 0.000 1.877 111 A HA -0.209 4.111 4.320 -0.001 0.000 0.216 111 A C 2.218 179.755 177.584 -0.079 0.000 1.186 111 A CA 2.070 54.066 52.037 -0.069 0.000 0.620 111 A CB -0.464 18.515 19.000 -0.036 0.000 0.822 111 A HN 0.400 nan 8.150 nan 0.000 0.443 112 M N -0.572 119.009 119.600 -0.031 0.000 2.254 112 M HA -0.051 4.429 4.480 -0.001 0.000 0.265 112 M C 2.058 178.357 176.300 -0.002 0.000 1.066 112 M CA 1.630 56.918 55.300 -0.019 0.000 1.123 112 M CB -1.066 31.553 32.600 0.031 0.000 1.388 112 M HN 0.552 nan 8.290 nan 0.000 0.425 113 K N 0.430 120.827 120.400 -0.006 0.000 2.057 113 K HA -0.040 4.279 4.320 -0.001 0.000 0.206 113 K C 1.885 178.483 176.600 -0.004 0.000 1.050 113 K CA 1.331 57.621 56.287 0.006 0.000 0.935 113 K CB 0.013 32.517 32.500 0.006 0.000 0.715 113 K HN 0.215 nan 8.250 nan 0.000 0.439 114 A N 0.516 123.282 122.820 -0.090 0.000 2.125 114 A HA -0.079 4.240 4.320 -0.001 0.000 0.219 114 A C 1.468 179.035 177.584 -0.029 0.000 1.156 114 A CA 0.997 52.911 52.037 -0.204 0.000 0.671 114 A CB -0.092 18.492 19.000 -0.692 0.000 0.794 114 A HN 0.268 nan 8.150 nan 0.000 0.459 115 L N -0.150 121.088 121.223 0.025 0.000 2.741 115 L HA 0.231 4.570 4.340 -0.001 0.000 0.237 115 L C -0.014 176.973 176.870 0.194 0.000 1.178 115 L CA 0.732 55.652 54.840 0.133 0.000 0.973 115 L CB -0.176 41.928 42.059 0.075 0.000 1.255 115 L HN 0.073 nan 8.230 nan 0.000 0.498 116 T N -0.513 114.144 114.554 0.172 0.000 2.792 116 T HA 0.435 4.785 4.350 -0.001 0.000 0.280 116 T C -1.443 173.415 174.700 0.263 0.000 0.990 116 T CA -0.305 61.922 62.100 0.212 0.000 0.960 116 T CB 1.602 70.536 68.868 0.110 0.000 0.939 116 T HN -0.021 nan 8.240 nan 0.000 0.439 117 Y N 0.875 121.295 120.300 0.200 0.000 2.457 117 Y HA 0.494 5.044 4.550 -0.001 0.000 0.343 117 Y C 0.670 176.656 175.900 0.143 0.000 0.994 117 Y CA -0.177 57.972 58.100 0.082 0.000 1.031 117 Y CB 1.530 39.925 38.460 -0.108 0.000 1.246 117 Y HN 0.862 nan 8.280 nan 0.000 0.449 118 G N 2.958 111.311 108.800 -0.745 0.000 2.225 118 G HA2 -0.014 3.945 3.960 -0.001 0.000 0.267 118 G HA3 -0.014 3.945 3.960 -0.001 0.000 0.267 118 G C 1.040 175.855 174.900 -0.141 0.000 1.024 118 G CA 0.933 45.758 45.100 -0.459 0.000 0.784 118 G HN 2.185 nan 8.290 nan 0.000 0.507 119 G N -1.692 107.055 108.800 -0.089 0.000 2.184 119 G HA2 -0.262 3.697 3.960 -0.001 0.000 0.264 119 G HA3 -0.262 3.697 3.960 -0.001 0.000 0.264 119 G C 0.221 175.130 174.900 0.014 0.000 0.975 119 G CA 1.240 46.324 45.100 -0.027 0.000 0.642 119 G HN 1.140 nan 8.290 nan 0.000 0.536 120 K N -0.376 120.071 120.400 0.078 0.000 2.324 120 K HA 0.645 4.964 4.320 -0.001 0.000 0.253 120 K C -0.415 176.226 176.600 0.068 0.000 0.932 120 K CA -1.139 55.165 56.287 0.028 0.000 0.799 120 K CB 2.409 34.885 32.500 -0.039 0.000 1.154 120 K HN 0.078 nan 8.250 nan 0.000 0.425 121 L N 2.808 124.002 121.223 -0.048 0.000 2.410 121 L HA 0.094 4.434 4.340 -0.001 0.000 0.273 121 L C -0.449 176.336 176.870 -0.142 0.000 1.152 121 L CA 0.755 55.594 54.840 -0.002 0.000 0.855 121 L CB 0.085 42.130 42.059 -0.022 0.000 1.129 121 L HN 0.656 nan 8.230 nan 0.000 0.463 122 Y N 3.340 123.683 120.300 0.072 0.000 2.453 122 Y HA 0.551 5.100 4.550 -0.001 0.000 0.247 122 Y C 1.000 177.006 175.900 0.176 0.000 1.124 122 Y CA 0.211 58.368 58.100 0.096 0.000 1.243 122 Y CB 0.922 39.418 38.460 0.060 0.000 1.213 122 Y HN 0.692 nan 8.280 nan 0.000 0.523 123 G N -0.495 108.433 108.800 0.214 0.000 2.550 123 G HA2 0.496 4.455 3.960 -0.001 0.000 0.293 123 G HA3 0.496 4.455 3.960 -0.001 0.000 0.293 123 G C -2.466 172.385 174.900 -0.082 0.000 1.402 123 G CA -0.710 44.437 45.100 0.079 0.000 0.784 123 G HN -0.189 nan 8.290 nan 0.000 0.482 124 L N 1.834 122.954 121.223 -0.172 0.000 2.322 124 L HA 0.596 4.935 4.340 -0.001 0.000 0.281 124 L C -2.007 174.607 176.870 -0.427 0.000 1.014 124 L CA -2.261 52.358 54.840 -0.368 0.000 0.815 124 L CB 1.908 43.812 42.059 -0.258 0.000 1.247 124 L HN 0.288 nan 8.230 nan 0.000 0.421 125 P HA 0.187 nan 4.420 nan 0.000 0.276 125 P C -0.451 176.665 177.300 -0.305 0.000 1.230 125 P CA -0.244 62.605 63.100 -0.418 0.000 0.776 125 P CB 1.276 32.756 31.700 -0.367 0.000 0.888 126 K N 1.396 121.625 120.400 -0.286 0.000 2.313 126 K HA 0.365 4.685 4.320 -0.001 0.000 0.197 126 K C 0.611 177.139 176.600 -0.119 0.000 1.061 126 K CA 0.412 56.570 56.287 -0.215 0.000 0.980 126 K CB 0.601 32.867 32.500 -0.390 0.000 0.888 126 K HN 0.570 nan 8.250 nan 0.000 0.502 127 A N 1.256 124.003 122.820 -0.121 0.000 2.566 127 A HA 0.584 4.904 4.320 -0.001 0.000 0.297 127 A C -1.777 175.790 177.584 -0.028 0.000 1.059 127 A CA -0.676 51.332 52.037 -0.048 0.000 0.691 127 A CB 1.302 20.280 19.000 -0.037 0.000 1.282 127 A HN 0.176 nan 8.150 nan 0.000 0.401 128 I N 1.186 121.761 120.570 0.007 0.000 2.569 128 I HA 0.746 4.916 4.170 -0.001 0.000 0.296 128 I C -0.677 175.474 176.117 0.058 0.000 1.028 128 I CA -0.234 61.085 61.300 0.031 0.000 1.082 128 I CB 1.638 39.650 38.000 0.020 0.000 1.264 128 I HN 0.893 nan 8.210 nan 0.000 0.429 129 E N 4.959 125.222 120.200 0.106 0.000 2.363 129 E HA 0.548 4.898 4.350 -0.001 0.000 0.281 129 E C -1.878 174.835 176.600 0.188 0.000 0.953 129 E CA -0.881 55.601 56.400 0.136 0.000 0.778 129 E CB 1.920 31.778 29.700 0.264 0.000 1.220 129 E HN 0.443 nan 8.360 nan 0.000 0.431 130 S N 1.377 117.157 115.700 0.133 0.000 2.556 130 S HA 0.516 4.985 4.470 -0.001 0.000 0.271 130 S C -0.460 174.186 174.600 0.077 0.000 1.135 130 S CA -0.286 57.996 58.200 0.136 0.000 0.858 130 S CB 1.506 64.767 63.200 0.102 0.000 1.114 130 S HN 0.998 nan 8.310 nan 0.000 0.468 131 V N 1.617 121.550 119.914 0.033 0.000 3.185 131 V HA 0.928 5.048 4.120 -0.001 0.000 0.305 131 V C 0.469 176.573 176.094 0.015 0.000 1.090 131 V CA 0.407 62.709 62.300 0.003 0.000 1.107 131 V CB 0.248 32.060 31.823 -0.018 0.000 1.061 131 V HN 1.499 nan 8.190 nan 0.000 0.480 132 A N 2.798 125.627 122.820 0.015 0.000 2.515 132 A HA 0.736 5.055 4.320 -0.001 0.000 0.299 132 A C -1.078 176.422 177.584 -0.140 0.000 1.179 132 A CA -0.816 51.151 52.037 -0.118 0.000 0.656 132 A CB 1.127 19.992 19.000 -0.224 0.000 1.306 132 A HN 1.391 nan 8.150 nan 0.000 0.459 133 L N 1.310 122.434 121.223 -0.164 0.000 2.325 133 L HA 0.508 4.847 4.340 -0.001 0.000 0.284 133 L C -0.787 176.061 176.870 -0.038 0.000 1.089 133 L CA 0.225 55.014 54.840 -0.084 0.000 0.836 133 L CB -0.392 41.632 42.059 -0.058 0.000 1.184 133 L HN 0.420 nan 8.230 nan 0.000 0.444 134 I N 6.715 127.262 120.570 -0.038 0.000 2.321 134 I HA 0.289 4.458 4.170 -0.001 0.000 0.291 134 I C -0.800 175.339 176.117 0.038 0.000 0.998 134 I CA -0.731 60.529 61.300 -0.066 0.000 1.227 134 I CB 0.627 38.577 38.000 -0.083 0.000 1.368 134 I HN 0.577 nan 8.210 nan 0.000 0.466 135 Y N 4.362 124.690 120.300 0.047 0.000 2.512 135 Y HA 0.494 5.044 4.550 -0.000 0.000 0.348 135 Y C -0.476 175.606 175.900 0.304 0.000 0.990 135 Y CA -1.420 56.789 58.100 0.181 0.000 1.033 135 Y CB 0.873 39.370 38.460 0.061 0.000 1.259 135 Y HN 0.435 nan 8.280 nan 0.000 0.461 136 N N 3.018 121.992 118.700 0.456 0.000 2.402 136 N HA 0.090 4.829 4.740 -0.001 0.000 0.252 136 N C 0.193 175.816 175.510 0.188 0.000 1.118 136 N CA 0.008 53.158 53.050 0.167 0.000 0.945 136 N CB 0.958 39.385 38.487 -0.100 0.000 1.147 136 N HN 0.902 nan 8.380 nan 0.000 0.495 137 K N 2.187 122.658 120.400 0.119 0.000 2.360 137 K HA -0.152 4.168 4.320 -0.001 0.000 0.201 137 K C 1.100 177.766 176.600 0.109 0.000 1.046 137 K CA 1.065 57.448 56.287 0.161 0.000 0.940 137 K CB 0.178 32.726 32.500 0.080 0.000 0.748 137 K HN 0.625 nan 8.250 nan 0.000 0.465 138 K N -0.360 120.076 120.400 0.061 0.000 2.417 138 K HA 0.056 4.376 4.320 -0.001 0.000 0.196 138 K C 0.900 177.528 176.600 0.046 0.000 1.023 138 K CA 0.284 56.594 56.287 0.039 0.000 1.122 138 K CB 0.465 32.971 32.500 0.010 0.000 0.850 138 K HN -0.070 nan 8.250 nan 0.000 0.521 139 L N 0.095 121.364 121.223 0.076 0.000 2.766 139 L HA 0.399 4.738 4.340 -0.001 0.000 0.241 139 L C 0.136 177.082 176.870 0.127 0.000 1.080 139 L CA 0.610 55.506 54.840 0.094 0.000 0.909 139 L CB 0.660 42.775 42.059 0.093 0.000 1.277 139 L HN 0.305 nan 8.230 nan 0.000 0.510 140 M N -1.083 118.597 119.600 0.133 0.000 2.090 140 M HA 0.468 4.947 4.480 -0.001 0.000 0.277 140 M C 0.847 177.169 176.300 0.037 0.000 0.935 140 M CA -0.346 54.987 55.300 0.055 0.000 0.966 140 M CB 1.460 34.051 32.600 -0.015 0.000 1.635 140 M HN 0.076 nan 8.290 nan 0.000 0.446 141 G N 3.440 112.242 108.800 0.004 0.000 2.433 141 G HA2 0.003 3.963 3.960 -0.001 0.000 0.216 141 G HA3 0.003 3.963 3.960 -0.001 0.000 0.216 141 G C 0.215 175.082 174.900 -0.055 0.000 1.186 141 G CA 0.775 45.881 45.100 0.010 0.000 0.779 141 G HN 0.611 nan 8.290 nan 0.000 0.543 142 Q N -0.510 119.200 119.800 -0.151 0.000 2.421 142 Q HA 0.444 4.784 4.340 -0.001 0.000 0.280 142 Q C -0.449 175.335 176.000 -0.360 0.000 1.085 142 Q CA -0.858 54.804 55.803 -0.235 0.000 0.807 142 Q CB 2.203 30.865 28.738 -0.127 0.000 1.405 142 Q HN 0.251 nan 8.270 nan 0.000 0.419 143 V N -0.974 118.678 119.914 -0.438 0.000 2.715 143 V HA 0.365 4.485 4.120 -0.001 0.000 0.299 143 V C -2.186 173.752 176.094 -0.259 0.000 1.054 143 V CA -1.370 60.677 62.300 -0.422 0.000 1.077 143 V CB -0.388 31.204 31.823 -0.385 0.000 0.972 143 V HN 0.542 nan 8.190 nan 0.000 0.484 144 P HA 0.207 nan 4.420 nan 0.000 0.264 144 P C 0.549 177.799 177.300 -0.084 0.000 1.183 144 P CA 0.553 63.566 63.100 -0.145 0.000 0.763 144 P CB 0.853 32.476 31.700 -0.128 0.000 0.807 145 A N 2.268 125.059 122.820 -0.048 0.000 2.123 145 A HA 0.137 4.457 4.320 -0.001 0.000 0.214 145 A C 0.873 178.460 177.584 0.006 0.000 1.152 145 A CA 1.379 53.399 52.037 -0.027 0.000 0.728 145 A CB -0.526 18.462 19.000 -0.021 0.000 0.814 145 A HN 0.626 nan 8.150 nan 0.000 0.464 146 T N -6.678 107.893 114.554 0.029 0.000 2.864 146 T HA 0.421 4.770 4.350 -0.001 0.000 0.299 146 T C 0.410 175.190 174.700 0.134 0.000 1.166 146 T CA -0.200 61.949 62.100 0.081 0.000 1.007 146 T CB 0.779 69.693 68.868 0.076 0.000 1.219 146 T HN 0.200 nan 8.240 nan 0.000 0.506 147 Y N 1.320 121.674 120.300 0.089 0.000 2.128 147 Y HA -0.186 4.364 4.550 -0.000 0.000 0.284 147 Y C 1.995 178.001 175.900 0.177 0.000 1.154 147 Y CA 2.212 60.411 58.100 0.165 0.000 1.149 147 Y CB -0.348 38.229 38.460 0.196 0.000 0.976 147 Y HN 0.732 nan 8.280 nan 0.000 0.505 148 D N 0.381 120.826 120.400 0.074 0.000 2.133 148 D HA -0.225 4.414 4.640 -0.001 0.000 0.192 148 D C 1.959 178.252 176.300 -0.011 0.000 1.001 148 D CA 2.024 56.016 54.000 -0.014 0.000 0.844 148 D CB -0.352 40.475 40.800 0.045 0.000 0.944 148 D HN 0.608 nan 8.370 nan 0.000 0.447 149 E N -0.001 120.211 120.200 0.020 0.000 2.077 149 E HA -0.157 4.193 4.350 -0.001 0.000 0.193 149 E C 2.231 178.856 176.600 0.041 0.000 0.989 149 E CA 0.296 56.714 56.400 0.030 0.000 0.800 149 E CB -0.129 29.585 29.700 0.024 0.000 0.746 149 E HN 0.137 nan 8.360 nan 0.000 0.452 150 L N 0.230 121.465 121.223 0.021 0.000 2.083 150 L HA -0.145 4.194 4.340 -0.001 0.000 0.209 150 L C 2.111 179.017 176.870 0.060 0.000 1.083 150 L CA 1.428 56.303 54.840 0.058 0.000 0.752 150 L CB -0.299 41.822 42.059 0.104 0.000 0.899 150 L HN 0.040 nan 8.230 nan 0.000 0.433 151 F N -0.512 119.261 119.950 -0.294 0.000 2.163 151 F HA -0.184 4.343 4.527 -0.001 0.000 0.297 151 F C 2.458 178.087 175.800 -0.284 0.000 1.094 151 F CA 1.342 59.059 58.000 -0.472 0.000 1.290 151 F CB -0.126 38.423 39.000 -0.750 0.000 1.017 151 F HN 0.132 nan 8.300 nan 0.000 0.483 152 Q N -0.580 119.204 119.800 -0.026 0.000 2.084 152 Q HA -0.273 4.067 4.340 -0.001 0.000 0.202 152 Q C 2.078 178.031 176.000 -0.079 0.000 0.978 152 Q CA 1.906 57.680 55.803 -0.048 0.000 0.844 152 Q CB -1.234 27.512 28.738 0.014 0.000 0.898 152 Q HN 0.628 nan 8.270 nan 0.000 0.426 153 Y N 1.146 121.374 120.300 -0.120 0.000 2.165 153 Y HA -0.245 4.304 4.550 -0.002 0.000 0.286 153 Y C 2.258 178.087 175.900 -0.119 0.000 1.155 153 Y CA 1.697 59.744 58.100 -0.087 0.000 1.164 153 Y CB -0.269 38.168 38.460 -0.038 0.000 0.978 153 Y HN 0.123 nan 8.280 nan 0.000 0.513 154 A N 0.236 123.034 122.820 -0.037 0.000 1.877 154 A HA -0.246 4.074 4.320 -0.001 0.000 0.216 154 A C 2.265 179.646 177.584 -0.339 0.000 1.186 154 A CA 2.033 53.977 52.037 -0.155 0.000 0.620 154 A CB -0.804 17.980 19.000 -0.360 0.000 0.822 154 A HN 0.516 nan 8.150 nan 0.000 0.443 155 K N -0.488 119.613 120.400 -0.497 0.000 2.063 155 K HA -0.112 4.208 4.320 -0.001 0.000 0.208 155 K C 2.137 178.585 176.600 -0.255 0.000 1.048 155 K CA 1.310 57.356 56.287 -0.402 0.000 0.928 155 K CB -0.309 31.975 32.500 -0.361 0.000 0.713 155 K HN 0.398 nan 8.250 nan 0.000 0.442 156 A N 1.166 123.837 122.820 -0.249 0.000 1.898 156 A HA -0.112 4.208 4.320 -0.001 0.000 0.216 156 A C 1.677 179.111 177.584 -0.250 0.000 1.181 156 A CA 1.548 53.450 52.037 -0.225 0.000 0.620 156 A CB -0.343 18.521 19.000 -0.227 0.000 0.819 156 A HN 0.366 nan 8.150 nan 0.000 0.442 157 N N 0.089 118.591 118.700 -0.329 0.000 2.388 157 N HA -0.013 4.727 4.740 -0.001 0.000 0.176 157 N C -0.502 174.888 175.510 -0.201 0.000 1.062 157 N CA 0.062 52.929 53.050 -0.305 0.000 0.895 157 N CB -0.205 37.983 38.487 -0.498 0.000 1.018 157 N HN 0.294 nan 8.380 nan 0.000 0.456 158 N N 1.864 120.466 118.700 -0.163 0.000 2.427 158 N HA 0.016 4.756 4.740 -0.001 0.000 0.269 158 N C -0.260 175.097 175.510 -0.256 0.000 1.235 158 N CA 0.602 53.563 53.050 -0.147 0.000 0.934 158 N CB 0.597 39.094 38.487 0.016 0.000 1.121 158 N HN 0.101 nan 8.380 nan 0.000 0.480 159 K N 4.275 124.414 120.400 -0.434 0.000 2.752 159 K HA 0.247 4.567 4.320 -0.001 0.000 0.199 159 K C -2.021 174.300 176.600 -0.466 0.000 1.069 159 K CA -1.535 54.547 56.287 -0.342 0.000 1.033 159 K CB 1.421 33.782 32.500 -0.232 0.000 1.229 159 K HN 0.201 nan 8.250 nan 0.000 0.572 160 P HA -0.108 nan 4.420 nan 0.000 0.223 160 P C 0.021 177.259 177.300 -0.104 0.000 1.151 160 P CA 0.876 63.832 63.100 -0.240 0.000 0.787 160 P CB 0.433 32.131 31.700 -0.004 0.000 0.788 161 D N 0.924 121.264 120.400 -0.100 0.000 2.137 161 D HA -0.195 4.444 4.640 -0.001 0.000 0.193 161 D C 1.779 178.041 176.300 -0.063 0.000 0.993 161 D CA 1.312 55.276 54.000 -0.061 0.000 0.846 161 D CB -0.946 39.818 40.800 -0.061 0.000 0.990 161 D HN 0.255 nan 8.370 nan 0.000 0.448 162 E N -0.045 120.101 120.200 -0.090 0.000 2.494 162 E HA -0.076 4.274 4.350 -0.001 0.000 0.193 162 E C -0.076 176.478 176.600 -0.076 0.000 1.074 162 E CA 0.026 56.382 56.400 -0.073 0.000 0.867 162 E CB 0.075 29.730 29.700 -0.075 0.000 0.924 162 E HN 0.114 nan 8.360 nan 0.000 0.502 163 Q N -0.909 118.829 119.800 -0.103 0.000 2.460 163 Q HA -0.218 4.122 4.340 -0.001 0.000 0.248 163 Q C -0.480 175.495 176.000 -0.042 0.000 0.847 163 Q CA 1.584 57.362 55.803 -0.042 0.000 1.214 163 Q CB -2.105 26.651 28.738 0.031 0.000 1.523 163 Q HN 0.434 nan 8.270 nan 0.000 0.602 164 K N -1.127 119.158 120.400 -0.192 0.000 2.259 164 K HA 0.721 5.041 4.320 -0.001 0.000 0.249 164 K C -0.938 175.478 176.600 -0.306 0.000 0.942 164 K CA -0.660 55.566 56.287 -0.103 0.000 0.816 164 K CB 1.423 33.890 32.500 -0.056 0.000 1.155 164 K HN -0.051 nan 8.250 nan 0.000 0.428 165 Y N -0.202 120.125 120.300 0.044 0.000 2.545 165 Y HA 0.421 4.970 4.550 -0.001 0.000 0.348 165 Y C 1.065 177.029 175.900 0.107 0.000 1.002 165 Y CA -0.749 57.392 58.100 0.068 0.000 1.039 165 Y CB 2.794 41.316 38.460 0.105 0.000 1.271 165 Y HN 0.851 nan 8.280 nan 0.000 0.467 166 G N 0.311 109.275 108.800 0.275 0.000 2.486 166 G HA2 0.231 4.191 3.960 -0.001 0.000 0.210 166 G HA3 0.231 4.191 3.960 -0.001 0.000 0.210 166 G C -0.467 174.728 174.900 0.492 0.000 1.168 166 G CA 0.278 45.605 45.100 0.379 0.000 0.820 166 G HN 0.294 nan 8.290 nan 0.000 0.544 167 V N 0.824 121.012 119.914 0.457 0.000 2.531 167 V HA 0.646 4.766 4.120 -0.001 0.000 0.301 167 V C -1.279 175.063 176.094 0.414 0.000 1.034 167 V CA -0.685 61.889 62.300 0.457 0.000 0.865 167 V CB 1.818 34.004 31.823 0.603 0.000 0.995 167 V HN 0.239 nan 8.190 nan 0.000 0.424 168 L N 7.009 128.388 121.223 0.261 0.000 2.438 168 L HA 0.929 5.269 4.340 -0.001 0.000 0.270 168 L C -1.120 175.823 176.870 0.121 0.000 0.972 168 L CA -0.142 54.728 54.840 0.050 0.000 0.831 168 L CB 1.687 43.627 42.059 -0.198 0.000 1.273 168 L HN 0.669 nan 8.230 nan 0.000 0.405 169 F N 1.029 120.854 119.950 -0.209 0.000 2.745 169 F HA 0.513 5.039 4.527 -0.001 0.000 0.316 169 F C -0.537 175.117 175.800 -0.243 0.000 1.155 169 F CA -1.036 56.836 58.000 -0.214 0.000 0.937 169 F CB 1.171 40.073 39.000 -0.164 0.000 1.361 169 F HN 0.481 nan 8.300 nan 0.000 0.472 170 E N 1.129 121.153 120.200 -0.293 0.000 1.842 170 E HA 0.393 4.743 4.350 -0.001 0.000 0.278 170 E C 0.686 177.155 176.600 -0.217 0.000 1.171 170 E CA 0.112 56.307 56.400 -0.343 0.000 1.127 170 E CB 0.189 29.534 29.700 -0.593 0.000 1.100 170 E HN 0.746 nan 8.360 nan 0.000 0.456 171 A N 3.451 125.990 122.820 -0.468 0.000 2.206 171 A HA -0.114 4.206 4.320 -0.001 0.000 0.211 171 A C 1.228 179.029 177.584 0.363 0.000 1.158 171 A CA 0.390 52.241 52.037 -0.310 0.000 0.761 171 A CB -0.117 18.372 19.000 -0.851 0.000 0.801 171 A HN 0.544 nan 8.150 nan 0.000 0.473 172 N N -0.208 118.696 118.700 0.340 0.000 2.276 172 N HA 0.020 4.760 4.740 -0.001 0.000 0.212 172 N C -0.447 175.115 175.510 0.087 0.000 1.127 172 N CA -0.154 53.083 53.050 0.312 0.000 0.834 172 N CB -0.294 38.307 38.487 0.191 0.000 1.014 172 N HN 0.222 nan 8.380 nan 0.000 0.491 173 N N 0.532 119.286 118.700 0.089 0.000 2.483 173 N HA 0.115 4.854 4.740 -0.001 0.000 0.267 173 N C -0.414 175.253 175.510 0.262 0.000 0.998 173 N CA -0.623 52.534 53.050 0.178 0.000 0.918 173 N CB 0.560 39.259 38.487 0.353 0.000 1.215 173 N HN -0.053 nan 8.380 nan 0.000 0.500 174 F N 4.450 124.403 119.950 0.005 0.000 2.307 174 F HA -0.186 4.341 4.527 -0.001 0.000 0.301 174 F C 1.493 177.658 175.800 0.610 0.000 1.076 174 F CA 1.198 59.328 58.000 0.218 0.000 1.383 174 F CB -0.201 38.930 39.000 0.219 0.000 1.055 174 F HN 0.681 nan 8.300 nan 0.000 0.526 175 Y N -0.618 119.981 120.300 0.498 0.000 2.200 175 Y HA -0.255 4.295 4.550 -0.001 0.000 0.290 175 Y C 1.845 177.865 175.900 0.201 0.000 1.137 175 Y CA 2.048 60.362 58.100 0.357 0.000 1.163 175 Y CB -0.809 37.654 38.460 0.005 0.000 0.988 175 Y HN 0.109 nan 8.280 nan 0.000 0.518 176 Y N -0.494 119.988 120.300 0.302 0.000 2.243 176 Y HA -0.116 4.434 4.550 -0.001 0.000 0.293 176 Y C 2.802 178.898 175.900 0.327 0.000 1.124 176 Y CA 1.752 60.023 58.100 0.285 0.000 1.159 176 Y CB -0.866 37.864 38.460 0.451 0.000 1.008 176 Y HN 0.211 nan 8.280 nan 0.000 0.527 177 T N -2.822 112.041 114.554 0.515 0.000 3.113 177 T HA -0.167 4.182 4.350 -0.001 0.000 0.256 177 T C 1.666 176.519 174.700 0.255 0.000 1.131 177 T CA 0.335 62.691 62.100 0.427 0.000 1.074 177 T CB -0.876 68.377 68.868 0.643 0.000 0.944 177 T HN 0.388 nan 8.240 nan 0.000 0.516 178 Y N 3.073 123.336 120.300 -0.060 0.000 2.096 178 Y HA -0.329 4.221 4.550 -0.000 0.000 0.278 178 Y C 1.744 177.567 175.900 -0.128 0.000 1.192 178 Y CA 2.092 59.961 58.100 -0.385 0.000 1.143 178 Y CB -1.038 36.731 38.460 -1.151 0.000 0.963 178 Y HN 0.450 nan 8.280 nan 0.000 0.505 179 F N -0.817 118.945 119.950 -0.314 0.000 2.236 179 F HA -0.194 4.332 4.527 -0.001 0.000 0.302 179 F C 1.616 177.225 175.800 -0.318 0.000 1.073 179 F CA 1.545 59.332 58.000 -0.355 0.000 1.336 179 F CB -1.151 37.717 39.000 -0.220 0.000 1.040 179 F HN 0.069 nan 8.300 nan 0.000 0.507 180 L N -1.023 119.617 121.223 -0.973 0.000 2.156 180 L HA -0.081 4.259 4.340 -0.001 0.000 0.208 180 L C 2.244 178.781 176.870 -0.554 0.000 1.095 180 L CA 0.933 55.267 54.840 -0.844 0.000 0.770 180 L CB -0.774 40.807 42.059 -0.797 0.000 0.914 180 L HN 0.117 nan 8.230 nan 0.000 0.439 181 F N 0.062 119.807 119.950 -0.342 0.000 2.206 181 F HA -0.077 4.450 4.527 -0.000 0.000 0.298 181 F C 2.609 178.213 175.800 -0.326 0.000 1.090 181 F CA 0.987 58.846 58.000 -0.234 0.000 1.323 181 F CB -0.682 38.286 39.000 -0.053 0.000 1.028 181 F HN -0.030 nan 8.300 nan 0.000 0.492 182 A N 0.006 122.595 122.820 -0.386 0.000 2.015 182 A HA 0.037 4.356 4.320 -0.001 0.000 0.219 182 A C 2.323 179.801 177.584 -0.177 0.000 1.163 182 A CA 1.362 53.189 52.037 -0.350 0.000 0.646 182 A CB -1.093 17.569 19.000 -0.564 0.000 0.806 182 A HN 0.284 nan 8.150 nan 0.000 0.448 183 A N -0.517 122.187 122.820 -0.192 0.000 2.015 183 A HA -0.041 4.278 4.320 -0.001 0.000 0.219 183 A C 1.815 179.333 177.584 -0.110 0.000 1.163 183 A CA 1.354 53.309 52.037 -0.136 0.000 0.646 183 A CB -0.150 18.746 19.000 -0.173 0.000 0.806 183 A HN 0.269 nan 8.150 nan 0.000 0.448 184 K N -1.192 119.135 120.400 -0.121 0.000 2.444 184 K HA 0.170 4.490 4.320 -0.001 0.000 0.193 184 K C 1.118 177.695 176.600 -0.038 0.000 1.024 184 K CA 0.713 56.951 56.287 -0.081 0.000 1.077 184 K CB -0.129 32.313 32.500 -0.097 0.000 0.833 184 K HN 0.774 nan 8.250 nan 0.000 0.517 185 G N 0.847 109.628 108.800 -0.032 0.000 2.157 185 G HA2 -0.263 3.696 3.960 -0.001 0.000 0.239 185 G HA3 -0.263 3.696 3.960 -0.001 0.000 0.239 185 G C 0.306 175.221 174.900 0.025 0.000 0.982 185 G CA 0.167 45.266 45.100 -0.002 0.000 0.650 185 G HN 0.520 nan 8.290 nan 0.000 0.527 186 A N -0.357 122.485 122.820 0.037 0.000 2.351 186 A HA 0.979 5.298 4.320 -0.001 0.000 0.257 186 A C 0.620 178.264 177.584 0.100 0.000 1.087 186 A CA 0.986 53.073 52.037 0.083 0.000 0.798 186 A CB 1.042 20.143 19.000 0.168 0.000 1.033 186 A HN 2.195 nan 8.150 nan 0.000 0.488 187 A N 0.422 123.310 122.820 0.113 0.000 2.539 187 A HA 0.580 4.900 4.320 -0.001 0.000 0.296 187 A C 0.785 178.423 177.584 0.090 0.000 1.073 187 A CA 0.018 52.158 52.037 0.172 0.000 0.700 187 A CB 0.499 19.598 19.000 0.164 0.000 1.296 187 A HN 1.779 nan 8.150 nan 0.000 0.405 188 V N -1.231 118.751 119.914 0.114 0.000 2.295 188 V HA 0.080 4.200 4.120 -0.001 0.000 0.246 188 V C 0.544 176.286 176.094 -0.586 0.000 1.049 188 V CA 1.297 63.452 62.300 -0.241 0.000 1.024 188 V CB -1.159 30.548 31.823 -0.194 0.000 0.648 188 V HN 0.575 nan 8.190 nan 0.000 0.447 189 F N -0.205 119.790 119.950 0.075 0.000 2.540 189 F HA 0.589 5.116 4.527 -0.001 0.000 0.317 189 F C 0.360 176.196 175.800 0.060 0.000 1.104 189 F CA -1.234 56.794 58.000 0.047 0.000 0.913 189 F CB 1.621 40.643 39.000 0.037 0.000 1.170 189 F HN -0.198 nan 8.300 nan 0.000 0.450 190 K N 1.474 122.002 120.400 0.212 0.000 2.440 190 K HA -0.017 4.303 4.320 -0.001 0.000 0.270 190 K C 0.750 177.432 176.600 0.136 0.000 0.980 190 K CA -0.005 56.365 56.287 0.139 0.000 0.953 190 K CB 0.809 33.368 32.500 0.099 0.000 0.925 190 K HN 0.662 nan 8.250 nan 0.000 0.497 191 E N 2.021 122.284 120.200 0.105 0.000 1.996 191 E HA -0.268 4.082 4.350 -0.001 0.000 0.197 191 E C -0.230 176.412 176.600 0.071 0.000 1.002 191 E CA 1.529 57.983 56.400 0.091 0.000 0.840 191 E CB -0.050 29.696 29.700 0.075 0.000 0.786 191 E HN 0.565 nan 8.360 nan 0.000 0.469 192 Q N 0.508 120.342 119.800 0.056 0.000 2.447 192 Q HA -0.226 4.114 4.340 -0.001 0.000 0.348 192 Q C -1.176 174.845 176.000 0.036 0.000 1.421 192 Q CA 0.556 56.384 55.803 0.042 0.000 0.978 192 Q CB -1.713 27.049 28.738 0.041 0.000 1.191 192 Q HN 0.511 nan 8.270 nan 0.000 0.371 193 D N -0.758 119.664 120.400 0.036 0.000 2.697 193 D HA -0.150 4.489 4.640 -0.001 0.000 0.235 193 D C 0.234 176.553 176.300 0.031 0.000 1.167 193 D CA 2.173 56.192 54.000 0.031 0.000 0.656 193 D CB -1.374 39.440 40.800 0.023 0.000 1.025 193 D HN 1.128 nan 8.370 nan 0.000 0.419 194 G N -0.131 108.694 108.800 0.041 0.000 2.781 194 G HA2 0.018 3.977 3.960 -0.001 0.000 0.468 194 G HA3 0.018 3.977 3.960 -0.001 0.000 0.468 194 G C 0.050 174.979 174.900 0.048 0.000 1.186 194 G CA -0.148 44.976 45.100 0.040 0.000 1.220 194 G HN 0.395 nan 8.290 nan 0.000 0.564 195 T N 2.400 116.998 114.554 0.075 0.000 3.057 195 T HA 0.257 4.607 4.350 -0.001 0.000 0.232 195 T C 1.376 176.101 174.700 0.041 0.000 1.018 195 T CA 0.690 62.853 62.100 0.105 0.000 1.506 195 T CB -0.440 68.524 68.868 0.161 0.000 1.063 195 T HN 0.509 nan 8.240 nan 0.000 0.613 196 L N 2.603 123.822 121.223 -0.008 0.000 2.753 196 L HA 0.249 4.589 4.340 -0.001 0.000 0.238 196 L C 0.540 177.313 176.870 -0.161 0.000 1.028 196 L CA 0.267 55.047 54.840 -0.100 0.000 0.966 196 L CB -0.548 41.478 42.059 -0.053 0.000 1.681 196 L HN 0.613 nan 8.230 nan 0.000 0.511 197 D N 2.649 123.018 120.400 -0.052 0.000 2.455 197 D HA -0.038 4.602 4.640 -0.001 0.000 0.265 197 D C -1.644 174.636 176.300 -0.033 0.000 1.284 197 D CA -1.075 52.912 54.000 -0.022 0.000 0.944 197 D CB 0.362 41.184 40.800 0.037 0.000 1.121 197 D HN 0.149 nan 8.370 nan 0.000 0.525 198 P HA -0.222 nan 4.420 nan 0.000 0.212 198 P C 0.340 177.714 177.300 0.123 0.000 1.178 198 P CA 1.282 64.340 63.100 -0.069 0.000 0.915 198 P CB 0.005 31.677 31.700 -0.046 0.000 0.788 199 N N -0.164 118.589 118.700 0.089 0.000 2.413 199 N HA 0.003 4.742 4.740 -0.001 0.000 0.207 199 N C 0.045 175.618 175.510 0.104 0.000 1.206 199 N CA 0.092 53.199 53.050 0.096 0.000 0.832 199 N CB -0.163 38.355 38.487 0.052 0.000 1.037 199 N HN 0.167 nan 8.380 nan 0.000 0.467 200 E N 1.450 121.747 120.200 0.161 0.000 2.884 200 E HA 0.113 4.462 4.350 -0.001 0.000 0.221 200 E C -0.043 176.661 176.600 0.173 0.000 1.137 200 E CA -0.350 56.135 56.400 0.142 0.000 1.160 200 E CB 0.491 30.267 29.700 0.125 0.000 1.385 200 E HN 0.240 nan 8.360 nan 0.000 0.442 201 I N 0.300 120.912 120.570 0.070 0.000 2.813 201 I HA 0.018 4.187 4.170 -0.001 0.000 0.287 201 I C 1.524 177.581 176.117 -0.100 0.000 1.196 201 I CA 0.566 61.786 61.300 -0.132 0.000 1.421 201 I CB 0.590 38.498 38.000 -0.153 0.000 1.365 201 I HN 0.333 nan 8.210 nan 0.000 0.591 202 G N 5.045 113.750 108.800 -0.159 0.000 3.695 202 G HA2 0.281 4.241 3.960 -0.001 0.000 0.277 202 G HA3 0.281 4.241 3.960 -0.001 0.000 0.277 202 G C 0.860 175.704 174.900 -0.093 0.000 1.001 202 G CA -0.196 44.857 45.100 -0.077 0.000 0.837 202 G HN 0.529 nan 8.290 nan 0.000 0.492 203 L N 1.239 122.362 121.223 -0.167 0.000 2.627 203 L HA 0.159 4.498 4.340 -0.001 0.000 0.233 203 L C 1.536 178.338 176.870 -0.114 0.000 1.144 203 L CA 0.222 54.941 54.840 -0.202 0.000 0.892 203 L CB 0.038 41.872 42.059 -0.374 0.000 1.039 203 L HN 0.342 nan 8.230 nan 0.000 0.442 204 N N -1.483 117.177 118.700 -0.066 0.000 2.241 204 N HA -0.023 4.716 4.740 -0.001 0.000 0.238 204 N C 0.285 175.791 175.510 -0.007 0.000 1.244 204 N CA -0.144 52.889 53.050 -0.028 0.000 0.880 204 N CB 0.105 38.573 38.487 -0.033 0.000 1.179 204 N HN 0.094 nan 8.380 nan 0.000 0.513 205 S N 0.899 116.598 115.700 -0.001 0.000 2.580 205 S HA 0.228 4.698 4.470 -0.001 0.000 0.266 205 S C -1.101 173.511 174.600 0.020 0.000 1.354 205 S CA -0.581 57.625 58.200 0.010 0.000 1.008 205 S CB 1.094 64.304 63.200 0.016 0.000 0.898 205 S HN -0.018 nan 8.310 nan 0.000 0.555 206 P HA -0.112 nan 4.420 nan 0.000 0.216 206 P C 1.044 178.354 177.300 0.018 0.000 1.150 206 P CA 1.345 64.453 63.100 0.013 0.000 0.837 206 P CB -0.073 31.631 31.700 0.007 0.000 0.786 207 E N 0.427 120.641 120.200 0.023 0.000 2.070 207 E HA -0.177 4.173 4.350 -0.001 0.000 0.197 207 E C 2.279 178.917 176.600 0.064 0.000 1.004 207 E CA 1.989 58.406 56.400 0.028 0.000 0.805 207 E CB -1.203 28.517 29.700 0.034 0.000 0.744 207 E HN 0.236 nan 8.360 nan 0.000 0.451 208 A N 0.226 123.113 122.820 0.113 0.000 1.968 208 A HA -0.103 4.216 4.320 -0.001 0.000 0.217 208 A C 2.435 180.151 177.584 0.220 0.000 1.169 208 A CA 1.139 53.331 52.037 0.260 0.000 0.638 208 A CB -0.493 18.609 19.000 0.169 0.000 0.812 208 A HN 0.142 nan 8.150 nan 0.000 0.446 209 V N -0.053 119.918 119.914 0.094 0.000 2.295 209 V HA -0.349 3.771 4.120 -0.001 0.000 0.246 209 V C 2.614 178.700 176.094 -0.012 0.000 1.049 209 V CA 2.290 64.618 62.300 0.046 0.000 1.024 209 V CB -1.052 30.785 31.823 0.022 0.000 0.648 209 V HN 0.626 nan 8.190 nan 0.000 0.447 210 Q N 0.049 119.830 119.800 -0.031 0.000 2.077 210 Q HA -0.188 4.152 4.340 -0.001 0.000 0.206 210 Q C 2.402 178.295 176.000 -0.178 0.000 0.989 210 Q CA 1.888 57.642 55.803 -0.081 0.000 0.853 210 Q CB -0.632 28.067 28.738 -0.065 0.000 0.907 210 Q HN 0.746 nan 8.270 nan 0.000 0.418 211 G N 0.828 109.479 108.800 -0.248 0.000 2.459 211 G HA2 -0.318 3.642 3.960 -0.001 0.000 0.217 211 G HA3 -0.318 3.642 3.960 -0.001 0.000 0.217 211 G C 1.324 175.694 174.900 -0.883 0.000 1.183 211 G CA 1.146 45.841 45.100 -0.675 0.000 0.776 211 G HN 0.256 nan 8.290 nan 0.000 0.552 212 M N 1.168 120.434 119.600 -0.557 0.000 2.279 212 M HA 0.032 4.511 4.480 -0.001 0.000 0.264 212 M C 2.000 178.227 176.300 -0.121 0.000 1.062 212 M CA 1.225 56.387 55.300 -0.230 0.000 1.099 212 M CB -0.846 31.800 32.600 0.077 0.000 1.394 212 M HN 0.367 nan 8.290 nan 0.000 0.426 213 N N -0.499 118.130 118.700 -0.119 0.000 2.104 213 N HA -0.185 4.554 4.740 -0.001 0.000 0.190 213 N C 1.403 176.879 175.510 -0.057 0.000 1.024 213 N CA 1.313 54.324 53.050 -0.066 0.000 0.853 213 N CB -0.052 38.392 38.487 -0.071 0.000 1.008 213 N HN 0.347 nan 8.380 nan 0.000 0.424 214 E N 0.763 120.892 120.200 -0.119 0.000 2.028 214 E HA -0.103 4.246 4.350 -0.001 0.000 0.191 214 E C 2.329 179.041 176.600 0.186 0.000 0.988 214 E CA 0.579 56.954 56.400 -0.042 0.000 0.799 214 E CB -0.758 28.863 29.700 -0.131 0.000 0.755 214 E HN 0.149 nan 8.360 nan 0.000 0.447 215 V N 1.771 121.769 119.914 0.140 0.000 2.278 215 V HA -0.326 3.794 4.120 -0.001 0.000 0.251 215 V C 2.670 179.044 176.094 0.468 0.000 1.062 215 V CA 2.318 64.828 62.300 0.349 0.000 1.038 215 V CB -0.639 31.338 31.823 0.256 0.000 0.646 215 V HN 0.327 nan 8.190 nan 0.000 0.447 216 Q N -0.322 119.663 119.800 0.307 0.000 2.135 216 Q HA -0.267 4.073 4.340 -0.001 0.000 0.204 216 Q C 2.371 178.571 176.000 0.333 0.000 0.981 216 Q CA 1.805 57.805 55.803 0.328 0.000 0.856 216 Q CB -0.080 28.757 28.738 0.166 0.000 0.902 216 Q HN 0.629 nan 8.270 nan 0.000 0.425 217 K N -0.605 119.931 120.400 0.226 0.000 2.152 217 K HA -0.193 4.127 4.320 -0.001 0.000 0.206 217 K C 1.605 178.398 176.600 0.322 0.000 1.048 217 K CA 1.535 57.928 56.287 0.177 0.000 0.933 217 K CB -0.209 32.215 32.500 -0.127 0.000 0.721 217 K HN 0.351 nan 8.250 nan 0.000 0.447 218 W N -0.221 121.279 121.300 0.333 0.000 2.392 218 W HA -0.110 4.549 4.660 -0.000 0.000 0.279 218 W C 1.564 177.976 176.519 -0.180 0.000 1.225 218 W CA 0.788 58.193 57.345 0.099 0.000 1.233 218 W CB -0.205 29.186 29.460 -0.115 0.000 1.122 218 W HN 0.014 nan 8.180 nan 0.000 0.561 219 F N -2.129 118.011 119.950 0.316 0.000 2.505 219 F HA 0.019 4.546 4.527 -0.000 0.000 0.289 219 F C 2.253 178.139 175.800 0.143 0.000 1.101 219 F CA 1.028 59.148 58.000 0.199 0.000 1.446 219 F CB -0.666 38.433 39.000 0.164 0.000 1.123 219 F HN -0.381 nan 8.300 nan 0.000 0.564 220 T N -0.757 113.975 114.554 0.296 0.000 2.852 220 T HA -0.070 4.280 4.350 -0.001 0.000 0.256 220 T C 1.662 176.438 174.700 0.127 0.000 1.038 220 T CA 1.347 63.560 62.100 0.187 0.000 1.141 220 T CB -0.030 68.933 68.868 0.158 0.000 0.869 220 T HN 0.204 nan 8.240 nan 0.000 0.439 221 E N -0.137 120.140 120.200 0.128 0.000 2.364 221 E HA 0.313 4.663 4.350 -0.001 0.000 0.203 221 E C 1.732 178.272 176.600 -0.100 0.000 0.888 221 E CA 0.139 56.576 56.400 0.061 0.000 0.989 221 E CB 0.314 30.131 29.700 0.195 0.000 0.985 221 E HN 0.296 nan 8.360 nan 0.000 0.499 222 A N 1.224 123.942 122.820 -0.169 0.000 2.345 222 A HA 0.067 4.387 4.320 -0.001 0.000 0.225 222 A C 0.443 178.004 177.584 -0.039 0.000 1.243 222 A CA -0.083 51.777 52.037 -0.295 0.000 0.875 222 A CB -0.435 18.207 19.000 -0.596 0.000 0.929 222 A HN 0.261 nan 8.150 nan 0.000 0.502 223 R N -0.929 119.590 120.500 0.031 0.000 3.516 223 R HA -0.174 4.166 4.340 -0.001 0.000 0.271 223 R C -0.828 175.577 176.300 0.175 0.000 1.098 223 R CA 0.651 56.809 56.100 0.096 0.000 0.732 223 R CB -2.851 27.474 30.300 0.042 0.000 1.152 223 R HN 0.431 nan 8.270 nan 0.000 0.455 224 L N 1.127 122.431 121.223 0.134 0.000 2.426 224 L HA 0.293 4.633 4.340 -0.001 0.000 0.271 224 L C -1.390 175.637 176.870 0.262 0.000 1.169 224 L CA -2.027 52.872 54.840 0.098 0.000 0.836 224 L CB 0.199 42.070 42.059 -0.313 0.000 1.112 224 L HN -0.096 nan 8.230 nan 0.000 0.465 225 P HA 0.007 nan 4.420 nan 0.000 0.270 225 P C 0.049 177.534 177.300 0.310 0.000 1.223 225 P CA -0.276 62.972 63.100 0.246 0.000 0.785 225 P CB 0.660 32.460 31.700 0.168 0.000 0.923 226 Q N 1.967 121.885 119.800 0.198 0.000 1.956 226 Q HA -0.153 4.186 4.340 -0.001 0.000 0.208 226 Q C 0.665 176.700 176.000 0.058 0.000 0.998 226 Q CA 2.279 58.145 55.803 0.105 0.000 0.855 226 Q CB -0.634 28.142 28.738 0.063 0.000 0.928 226 Q HN 0.528 nan 8.270 nan 0.000 0.418 227 S N -0.336 115.399 115.700 0.059 0.000 2.514 227 S HA 0.398 4.867 4.470 -0.001 0.000 0.179 227 S C -0.298 174.328 174.600 0.044 0.000 1.409 227 S CA -0.665 57.555 58.200 0.032 0.000 1.138 227 S CB -0.394 62.815 63.200 0.014 0.000 1.217 227 S HN 0.267 nan 8.310 nan 0.000 0.493 228 L N 3.085 124.351 121.223 0.071 0.000 2.514 228 L HA 0.268 4.608 4.340 -0.001 0.000 0.280 228 L C 0.600 177.473 176.870 0.004 0.000 1.223 228 L CA 0.390 55.251 54.840 0.036 0.000 0.864 228 L CB 0.455 42.532 42.059 0.032 0.000 1.118 228 L HN 0.667 nan 8.230 nan 0.000 0.494 229 K N 1.805 122.198 120.400 -0.012 0.000 2.439 229 K HA 0.700 5.020 4.320 -0.001 0.000 0.260 229 K C 0.389 176.973 176.600 -0.028 0.000 1.032 229 K CA -0.382 55.892 56.287 -0.022 0.000 0.882 229 K CB 1.322 33.816 32.500 -0.010 0.000 1.420 229 K HN 0.320 nan 8.250 nan 0.000 0.455 230 A N 0.927 123.735 122.820 -0.019 0.000 1.873 230 A HA -0.237 4.083 4.320 -0.001 0.000 0.218 230 A C 1.448 179.064 177.584 0.053 0.000 1.193 230 A CA 2.430 54.477 52.037 0.017 0.000 0.629 230 A CB -1.256 17.769 19.000 0.041 0.000 0.826 230 A HN 0.891 nan 8.150 nan 0.000 0.447 231 D N -0.856 119.571 120.400 0.045 0.000 2.158 231 D HA -0.102 4.538 4.640 -0.001 0.000 0.197 231 D C 2.026 178.362 176.300 0.061 0.000 0.995 231 D CA 1.835 55.871 54.000 0.061 0.000 0.846 231 D CB -0.401 40.424 40.800 0.043 0.000 0.941 231 D HN 0.469 nan 8.370 nan 0.000 0.456 232 T N -0.320 114.254 114.554 0.034 0.000 2.746 232 T HA -0.113 4.237 4.350 -0.001 0.000 0.267 232 T C 2.162 176.870 174.700 0.012 0.000 1.039 232 T CA 0.946 63.059 62.100 0.020 0.000 1.142 232 T CB -0.359 68.509 68.868 -0.000 0.000 0.866 232 T HN -0.003 nan 8.240 nan 0.000 0.444 233 V N 2.578 122.497 119.914 0.008 0.000 2.307 233 V HA -0.154 3.965 4.120 -0.001 0.000 0.245 233 V C 2.419 178.584 176.094 0.119 0.000 1.045 233 V CA 1.475 63.786 62.300 0.018 0.000 1.024 233 V CB -0.631 31.193 31.823 0.003 0.000 0.651 233 V HN 0.431 nan 8.190 nan 0.000 0.449 234 N N 1.135 119.944 118.700 0.182 0.000 2.106 234 N HA -0.103 4.637 4.740 -0.001 0.000 0.188 234 N C 1.961 177.600 175.510 0.216 0.000 1.029 234 N CA 1.678 54.912 53.050 0.306 0.000 0.848 234 N CB -0.908 37.788 38.487 0.348 0.000 1.007 234 N HN 0.498 nan 8.380 nan 0.000 0.423 235 G N 1.859 110.744 108.800 0.143 0.000 2.491 235 G HA2 -0.207 3.752 3.960 -0.001 0.000 0.218 235 G HA3 -0.207 3.752 3.960 -0.001 0.000 0.218 235 G C 1.681 176.629 174.900 0.081 0.000 1.180 235 G CA 0.613 45.774 45.100 0.101 0.000 0.774 235 G HN 0.237 nan 8.290 nan 0.000 0.562 236 L N -0.987 120.285 121.223 0.083 0.000 2.093 236 L HA 0.048 4.388 4.340 -0.001 0.000 0.208 236 L C 2.559 179.474 176.870 0.074 0.000 1.085 236 L CA 0.799 55.689 54.840 0.084 0.000 0.755 236 L CB -0.336 41.775 42.059 0.087 0.000 0.904 236 L HN 0.248 nan 8.230 nan 0.000 0.435 237 F N 0.778 120.683 119.950 -0.076 0.000 2.186 237 F HA -0.168 4.358 4.527 -0.001 0.000 0.299 237 F C 2.392 178.064 175.800 -0.213 0.000 1.090 237 F CA 1.481 59.374 58.000 -0.178 0.000 1.307 237 F CB -0.049 38.737 39.000 -0.357 0.000 1.019 237 F HN -0.147 nan 8.300 nan 0.000 0.489 238 K N -0.276 120.053 120.400 -0.118 0.000 2.217 238 K HA -0.067 4.253 4.320 -0.001 0.000 0.202 238 K C 1.731 178.256 176.600 -0.126 0.000 1.051 238 K CA 1.232 57.445 56.287 -0.124 0.000 0.952 238 K CB -0.255 32.280 32.500 0.057 0.000 0.736 238 K HN 0.306 nan 8.250 nan 0.000 0.453 239 S N -0.211 115.438 115.700 -0.086 0.000 2.710 239 S HA 0.138 4.608 4.470 -0.001 0.000 0.224 239 S C 1.125 175.668 174.600 -0.096 0.000 0.948 239 S CA 0.139 58.302 58.200 -0.061 0.000 0.949 239 S CB 0.096 63.289 63.200 -0.011 0.000 0.778 239 S HN 0.400 nan 8.310 nan 0.000 0.498 240 G N 1.957 110.639 108.800 -0.196 0.000 2.179 240 G HA2 -0.291 3.669 3.960 -0.001 0.000 0.257 240 G HA3 -0.291 3.669 3.960 -0.001 0.000 0.257 240 G C 0.849 175.677 174.900 -0.120 0.000 1.010 240 G CA 0.571 45.546 45.100 -0.208 0.000 0.736 240 G HN 0.518 nan 8.290 nan 0.000 0.513 241 K N -0.868 119.491 120.400 -0.068 0.000 2.314 241 K HA 0.243 4.563 4.320 -0.001 0.000 0.198 241 K C 0.955 177.615 176.600 0.100 0.000 1.045 241 K CA 0.582 56.889 56.287 0.033 0.000 0.988 241 K CB 0.674 33.235 32.500 0.101 0.000 0.783 241 K HN 0.401 nan 8.250 nan 0.000 0.484 242 V N 1.236 121.200 119.914 0.082 0.000 2.448 242 V HA 0.285 4.405 4.120 -0.001 0.000 0.295 242 V C 1.011 177.257 176.094 0.253 0.000 1.025 242 V CA -0.458 61.989 62.300 0.246 0.000 0.859 242 V CB 1.481 33.528 31.823 0.374 0.000 0.988 242 V HN 0.101 nan 8.190 nan 0.000 0.431 243 A N 3.861 126.866 122.820 0.307 0.000 1.929 243 A HA 0.562 4.882 4.320 -0.001 0.000 0.216 243 A C 1.075 178.901 177.584 0.403 0.000 1.176 243 A CA 1.365 53.593 52.037 0.319 0.000 0.628 243 A CB 0.002 19.226 19.000 0.373 0.000 0.816 243 A HN 1.379 nan 8.150 nan 0.000 0.444 244 A N -1.171 121.882 122.820 0.389 0.000 2.547 244 A HA 0.568 4.888 4.320 -0.001 0.000 0.297 244 A C -0.581 177.106 177.584 0.172 0.000 1.056 244 A CA 0.065 52.271 52.037 0.283 0.000 0.688 244 A CB 0.907 20.011 19.000 0.173 0.000 1.282 244 A HN 1.353 nan 8.150 nan 0.000 0.400 245 V N -0.418 119.481 119.914 -0.025 0.000 2.919 245 V HA 0.802 4.922 4.120 -0.001 0.000 0.316 245 V C -0.406 175.679 176.094 -0.016 0.000 1.077 245 V CA -0.956 61.328 62.300 -0.027 0.000 0.977 245 V CB 1.735 33.461 31.823 -0.161 0.000 1.039 245 V HN 0.715 nan 8.190 nan 0.000 0.441 246 I N 3.543 124.129 120.570 0.027 0.000 2.306 246 I HA 0.550 4.720 4.170 -0.001 0.000 0.288 246 I C -0.102 176.141 176.117 0.211 0.000 1.036 246 I CA 0.183 61.477 61.300 -0.011 0.000 1.221 246 I CB 0.616 38.449 38.000 -0.278 0.000 1.385 246 I HN 0.780 nan 8.210 nan 0.000 0.472 247 N N 3.528 122.321 118.700 0.154 0.000 3.106 247 N HA 0.610 5.349 4.740 -0.001 0.000 0.253 247 N C -0.848 174.589 175.510 -0.121 0.000 1.506 247 N CA -0.384 52.780 53.050 0.190 0.000 0.876 247 N CB 2.266 40.840 38.487 0.145 0.000 1.452 247 N HN 0.550 nan 8.380 nan 0.000 0.542 248 G N -0.273 108.032 108.800 -0.824 0.000 2.644 248 G HA2 0.499 4.458 3.960 -0.001 0.000 0.307 248 G HA3 0.499 4.458 3.960 -0.001 0.000 0.307 248 G C -2.012 171.816 174.900 -1.786 0.000 1.250 248 G CA -1.236 42.861 45.100 -1.670 0.000 0.996 248 G HN 0.342 nan 8.290 nan 0.000 0.489 249 P HA -0.114 nan 4.420 nan 0.000 0.217 249 P C 1.363 178.244 177.300 -0.699 0.000 1.148 249 P CA 1.574 63.851 63.100 -1.372 0.000 0.828 249 P CB -0.015 31.119 31.700 -0.944 0.000 0.783 250 W N -0.399 120.708 121.300 -0.322 0.000 2.480 250 W HA 0.059 4.719 4.660 -0.000 0.000 0.257 250 W C 1.637 178.010 176.519 -0.244 0.000 1.235 250 W CA 0.860 58.071 57.345 -0.224 0.000 1.218 250 W CB -1.797 27.561 29.460 -0.170 0.000 1.131 250 W HN -0.110 nan 8.180 nan 0.000 0.606 251 A N 0.422 122.911 122.820 -0.552 0.000 2.169 251 A HA 0.117 4.436 4.320 -0.001 0.000 0.210 251 A C 1.874 179.028 177.584 -0.717 0.000 1.168 251 A CA 0.521 52.182 52.037 -0.627 0.000 0.813 251 A CB -0.387 18.070 19.000 -0.905 0.000 0.861 251 A HN 0.211 nan 8.150 nan 0.000 0.481 252 I N 0.412 120.727 120.570 -0.425 0.000 2.163 252 I HA -0.196 3.973 4.170 -0.001 0.000 0.243 252 I C 2.154 178.226 176.117 -0.075 0.000 1.085 252 I CA 1.412 62.603 61.300 -0.182 0.000 1.347 252 I CB -0.938 37.022 38.000 -0.066 0.000 1.044 252 I HN 0.181 nan 8.210 nan 0.000 0.408 253 K N 0.521 120.867 120.400 -0.091 0.000 2.032 253 K HA -0.209 4.110 4.320 -0.001 0.000 0.209 253 K C 1.873 178.488 176.600 0.025 0.000 1.048 253 K CA 1.407 57.674 56.287 -0.033 0.000 0.927 253 K CB -0.740 31.733 32.500 -0.044 0.000 0.712 253 K HN 0.318 nan 8.250 nan 0.000 0.441 254 D N -0.430 119.982 120.400 0.020 0.000 2.144 254 D HA -0.141 4.498 4.640 -0.001 0.000 0.200 254 D C 1.885 178.344 176.300 0.264 0.000 0.978 254 D CA 0.809 54.873 54.000 0.108 0.000 0.833 254 D CB 0.124 40.979 40.800 0.093 0.000 0.961 254 D HN 0.114 nan 8.370 nan 0.000 0.470 255 Y N 1.310 121.676 120.300 0.110 0.000 2.200 255 Y HA -0.071 4.479 4.550 -0.000 0.000 0.290 255 Y C 2.588 178.551 175.900 0.105 0.000 1.137 255 Y CA 0.680 58.879 58.100 0.165 0.000 1.163 255 Y CB -0.904 37.706 38.460 0.249 0.000 0.988 255 Y HN 0.134 nan 8.280 nan 0.000 0.518 256 Q N -0.583 119.360 119.800 0.238 0.000 2.124 256 Q HA -0.109 4.231 4.340 -0.001 0.000 0.202 256 Q C 2.375 178.429 176.000 0.090 0.000 0.977 256 Q CA 1.353 57.233 55.803 0.130 0.000 0.850 256 Q CB -0.301 28.486 28.738 0.081 0.000 0.901 256 Q HN 0.420 nan 8.270 nan 0.000 0.429 257 A N 0.435 123.309 122.820 0.090 0.000 2.168 257 A HA 0.092 4.412 4.320 -0.001 0.000 0.215 257 A C 1.865 179.487 177.584 0.063 0.000 1.152 257 A CA 1.124 53.200 52.037 0.064 0.000 0.716 257 A CB -0.179 18.856 19.000 0.058 0.000 0.794 257 A HN 0.329 nan 8.150 nan 0.000 0.465 258 A N -1.954 120.915 122.820 0.081 0.000 2.345 258 A HA 0.463 4.782 4.320 -0.001 0.000 0.225 258 A C 1.575 179.170 177.584 0.019 0.000 1.243 258 A CA 0.969 53.038 52.037 0.054 0.000 0.875 258 A CB -0.605 18.436 19.000 0.069 0.000 0.929 258 A HN 1.702 nan 8.150 nan 0.000 0.502 259 G N -0.600 108.215 108.800 0.025 0.000 2.175 259 G HA2 -0.171 3.789 3.960 -0.001 0.000 0.244 259 G HA3 -0.171 3.789 3.960 -0.001 0.000 0.244 259 G C -0.037 174.858 174.900 -0.010 0.000 0.982 259 G CA 0.039 45.142 45.100 0.005 0.000 0.641 259 G HN 0.330 nan 8.290 nan 0.000 0.527 260 I N 1.559 122.126 120.570 -0.006 0.000 2.452 260 I HA 0.186 4.356 4.170 -0.001 0.000 0.287 260 I C 0.575 176.700 176.117 0.014 0.000 1.079 260 I CA -1.222 60.055 61.300 -0.038 0.000 1.387 260 I CB 0.612 38.558 38.000 -0.089 0.000 1.404 260 I HN 0.134 nan 8.210 nan 0.000 0.522 261 N N 7.267 125.963 118.700 -0.007 0.000 2.406 261 N HA 0.125 4.864 4.740 -0.001 0.000 0.269 261 N C -0.567 174.937 175.510 -0.010 0.000 1.210 261 N CA -0.187 52.864 53.050 0.000 0.000 0.966 261 N CB 0.332 38.818 38.487 -0.002 0.000 1.293 261 N HN 0.441 nan 8.380 nan 0.000 0.491 262 V N 1.404 121.319 119.914 0.002 0.000 2.439 262 V HA 0.905 5.024 4.120 -0.001 0.000 0.282 262 V C 0.853 176.808 176.094 -0.232 0.000 1.039 262 V CA -0.773 61.509 62.300 -0.029 0.000 0.913 262 V CB 1.000 32.896 31.823 0.122 0.000 0.983 262 V HN 0.453 nan 8.190 nan 0.000 0.460 263 G N 2.832 111.257 108.800 -0.625 0.000 2.471 263 G HA2 0.684 4.644 3.960 -0.001 0.000 0.332 263 G HA3 0.684 4.644 3.960 -0.001 0.000 0.332 263 G C -1.177 173.236 174.900 -0.812 0.000 1.176 263 G CA -0.874 43.638 45.100 -0.980 0.000 0.949 263 G HN 1.161 nan 8.290 nan 0.000 0.488 264 V N -0.004 119.643 119.914 -0.446 0.000 2.612 264 V HA 0.749 4.868 4.120 -0.001 0.000 0.301 264 V C -0.025 175.978 176.094 -0.151 0.000 1.059 264 V CA -0.582 61.507 62.300 -0.352 0.000 0.886 264 V CB 1.103 32.535 31.823 -0.651 0.000 1.007 264 V HN 1.280 nan 8.190 nan 0.000 0.426 265 A N 6.557 129.339 122.820 -0.064 0.000 2.469 265 A HA 1.057 5.377 4.320 -0.001 0.000 0.299 265 A C -3.028 174.474 177.584 -0.136 0.000 1.098 265 A CA -1.921 50.084 52.037 -0.053 0.000 0.737 265 A CB 2.230 21.247 19.000 0.029 0.000 1.312 265 A HN 0.545 nan 8.150 nan 0.000 0.414 266 P HA 0.186 nan 4.420 nan 0.000 0.269 266 P C -0.472 176.745 177.300 -0.138 0.000 1.215 266 P CA -0.211 62.812 63.100 -0.129 0.000 0.780 266 P CB 0.313 31.958 31.700 -0.092 0.000 0.898 267 L N 4.541 125.648 121.223 -0.194 0.000 2.601 267 L HA 0.030 4.370 4.340 -0.001 0.000 0.277 267 L C -1.586 175.208 176.870 -0.126 0.000 1.219 267 L CA -0.385 54.314 54.840 -0.236 0.000 0.915 267 L CB -1.440 40.331 42.059 -0.480 0.000 1.160 267 L HN 0.329 nan 8.230 nan 0.000 0.494 268 P HA -0.023 nan 4.420 nan 0.000 0.264 268 P C -0.409 176.925 177.300 0.056 0.000 1.193 268 P CA -0.115 62.990 63.100 0.008 0.000 0.763 268 P CB 0.245 31.971 31.700 0.042 0.000 0.810 269 K N 2.655 123.077 120.400 0.037 0.000 2.530 269 K HA 0.037 4.357 4.320 -0.001 0.000 0.280 269 K C 0.485 177.147 176.600 0.102 0.000 1.004 269 K CA 0.432 56.747 56.287 0.047 0.000 1.071 269 K CB 0.032 32.549 32.500 0.029 0.000 0.876 269 K HN 0.511 nan 8.250 nan 0.000 0.487 270 I N 2.448 123.070 120.570 0.087 0.000 2.441 270 I HA 0.063 4.233 4.170 -0.001 0.000 0.295 270 I C -0.254 175.887 176.117 0.040 0.000 0.994 270 I CA -0.175 61.180 61.300 0.091 0.000 1.144 270 I CB 1.138 39.132 38.000 -0.010 0.000 1.314 270 I HN 0.717 nan 8.210 nan 0.000 0.445 271 D N 5.306 125.736 120.400 0.050 0.000 2.931 271 D HA -0.229 4.411 4.640 -0.001 0.000 0.228 271 D C 0.954 177.266 176.300 0.020 0.000 1.180 271 D CA 1.619 55.633 54.000 0.022 0.000 0.784 271 D CB -0.941 39.851 40.800 -0.013 0.000 1.093 271 D HN 1.192 nan 8.370 nan 0.000 0.421 272 G N -1.066 107.753 108.800 0.031 0.000 2.258 272 G HA2 -0.331 3.629 3.960 -0.001 0.000 0.233 272 G HA3 -0.331 3.629 3.960 -0.001 0.000 0.233 272 G C 0.373 175.284 174.900 0.018 0.000 1.006 272 G CA 0.603 45.716 45.100 0.023 0.000 0.620 272 G HN 0.482 nan 8.290 nan 0.000 0.511 273 K N 1.026 121.434 120.400 0.015 0.000 2.123 273 K HA 0.494 4.814 4.320 -0.001 0.000 0.248 273 K C -0.523 176.084 176.600 0.010 0.000 0.969 273 K CA -0.949 55.344 56.287 0.010 0.000 0.882 273 K CB 0.956 33.459 32.500 0.006 0.000 1.080 273 K HN 0.084 nan 8.250 nan 0.000 0.441 274 D N 1.443 121.846 120.400 0.004 0.000 2.525 274 D HA -0.029 4.610 4.640 -0.001 0.000 0.235 274 D C -0.138 176.159 176.300 -0.005 0.000 1.137 274 D CA 0.374 54.371 54.000 -0.005 0.000 0.868 274 D CB 0.615 41.412 40.800 -0.005 0.000 1.180 274 D HN 0.556 nan 8.370 nan 0.000 0.465 275 A N 3.090 125.894 122.820 -0.027 0.000 2.524 275 A HA -0.020 4.300 4.320 -0.001 0.000 0.250 275 A C 0.553 178.127 177.584 -0.017 0.000 1.078 275 A CA 0.008 52.030 52.037 -0.025 0.000 0.761 275 A CB 0.094 18.982 19.000 -0.187 0.000 1.012 275 A HN 0.553 nan 8.150 nan 0.000 0.500 276 Q N 2.586 122.402 119.800 0.027 0.000 2.566 276 Q HA 0.264 4.604 4.340 -0.001 0.000 0.221 276 Q C 0.435 176.495 176.000 0.100 0.000 1.195 276 Q CA -0.220 55.615 55.803 0.053 0.000 0.967 276 Q CB 0.197 28.966 28.738 0.050 0.000 1.337 276 Q HN 0.897 nan 8.270 nan 0.000 0.553 277 T N -0.498 114.098 114.554 0.070 0.000 2.788 277 T HA 0.331 4.681 4.350 -0.001 0.000 0.280 277 T C 0.135 174.890 174.700 0.091 0.000 0.984 277 T CA -0.561 61.577 62.100 0.063 0.000 0.972 277 T CB 0.552 69.395 68.868 -0.042 0.000 1.039 277 T HN 0.330 nan 8.240 nan 0.000 0.530 278 F N 0.174 120.100 119.950 -0.040 0.000 2.443 278 F HA 0.428 4.955 4.527 -0.000 0.000 0.353 278 F C 0.559 176.350 175.800 -0.014 0.000 1.101 278 F CA -1.050 56.863 58.000 -0.145 0.000 1.226 278 F CB 0.670 39.481 39.000 -0.314 0.000 1.140 278 F HN 0.332 nan 8.300 nan 0.000 0.557 279 I N 2.605 123.365 120.570 0.317 0.000 2.353 279 I HA 0.375 4.545 4.170 -0.001 0.000 0.293 279 I C 0.423 176.735 176.117 0.325 0.000 0.992 279 I CA -0.222 61.228 61.300 0.252 0.000 1.268 279 I CB 1.322 39.431 38.000 0.182 0.000 1.387 279 I HN 0.568 nan 8.210 nan 0.000 0.478 280 G N 5.327 114.311 108.800 0.307 0.000 2.452 280 G HA2 0.645 4.604 3.960 -0.001 0.000 0.324 280 G HA3 0.645 4.604 3.960 -0.001 0.000 0.324 280 G C -1.142 173.910 174.900 0.254 0.000 1.214 280 G CA -0.371 44.929 45.100 0.333 0.000 0.947 280 G HN 0.345 nan 8.290 nan 0.000 0.478 281 V N 1.896 122.023 119.914 0.356 0.000 2.487 281 V HA 0.422 4.542 4.120 -0.001 0.000 0.298 281 V C -0.210 175.932 176.094 0.080 0.000 1.028 281 V CA -1.005 61.350 62.300 0.092 0.000 0.860 281 V CB 1.740 33.497 31.823 -0.110 0.000 0.991 281 V HN 0.687 nan 8.190 nan 0.000 0.427 282 K N 3.289 123.655 120.400 -0.057 0.000 2.263 282 K HA 0.673 4.992 4.320 -0.001 0.000 0.272 282 K C 0.256 176.639 176.600 -0.362 0.000 1.033 282 K CA -0.194 55.984 56.287 -0.182 0.000 0.884 282 K CB 1.928 34.301 32.500 -0.212 0.000 1.107 282 K HN 0.907 nan 8.250 nan 0.000 0.460 283 G N 2.013 110.486 108.800 -0.544 0.000 2.568 283 G HA2 0.420 4.380 3.960 -0.001 0.000 0.313 283 G HA3 0.420 4.380 3.960 -0.001 0.000 0.313 283 G C -1.523 172.699 174.900 -1.130 0.000 1.227 283 G CA -0.826 43.822 45.100 -0.754 0.000 0.979 283 G HN 0.508 nan 8.290 nan 0.000 0.486 284 W N -0.002 120.869 121.300 -0.714 0.000 2.316 284 W HA 0.558 5.218 4.660 -0.000 0.000 0.311 284 W C -0.882 175.240 176.519 -0.662 0.000 1.217 284 W CA -0.478 56.497 57.345 -0.617 0.000 1.199 284 W CB 1.177 30.440 29.460 -0.329 0.000 1.202 284 W HN 0.316 nan 8.180 nan 0.000 0.528 285 Y N 3.008 123.316 120.300 0.014 0.000 2.485 285 Y HA 0.458 5.008 4.550 -0.001 0.000 0.345 285 Y C -0.359 175.506 175.900 -0.058 0.000 0.998 285 Y CA -1.672 56.368 58.100 -0.100 0.000 1.059 285 Y CB 0.915 39.176 38.460 -0.333 0.000 1.234 285 Y HN 0.102 nan 8.280 nan 0.000 0.461 286 L N 2.426 123.729 121.223 0.134 0.000 2.261 286 L HA 0.435 4.774 4.340 -0.001 0.000 0.289 286 L C 0.347 177.246 176.870 0.049 0.000 1.059 286 L CA -0.030 54.839 54.840 0.049 0.000 0.816 286 L CB 0.670 42.739 42.059 0.017 0.000 1.191 286 L HN 0.667 nan 8.230 nan 0.000 0.431 287 S N 3.718 119.431 115.700 0.022 0.000 2.552 287 S HA 0.238 4.708 4.470 -0.001 0.000 0.289 287 S C 1.468 176.047 174.600 -0.035 0.000 1.304 287 S CA 0.149 58.368 58.200 0.031 0.000 1.063 287 S CB 0.760 63.979 63.200 0.031 0.000 0.848 287 S HN 0.892 nan 8.310 nan 0.000 0.499 288 A N 4.629 127.362 122.820 -0.146 0.000 2.209 288 A HA 0.090 4.409 4.320 -0.001 0.000 0.212 288 A C 0.973 178.280 177.584 -0.462 0.000 1.158 288 A CA 0.862 52.703 52.037 -0.327 0.000 0.742 288 A CB -0.465 18.267 19.000 -0.446 0.000 0.790 288 A HN 0.942 nan 8.150 nan 0.000 0.472 289 Y N -0.615 119.682 120.300 -0.005 0.000 2.458 289 Y HA 0.235 4.785 4.550 -0.001 0.000 0.254 289 Y C 1.498 177.361 175.900 -0.062 0.000 1.120 289 Y CA -0.104 57.980 58.100 -0.028 0.000 1.282 289 Y CB -0.261 38.188 38.460 -0.019 0.000 1.109 289 Y HN 0.193 nan 8.280 nan 0.000 0.526 290 S N 1.493 117.214 115.700 0.035 0.000 2.593 290 S HA -0.076 4.394 4.470 -0.001 0.000 0.300 290 S C 1.190 175.733 174.600 -0.096 0.000 1.267 290 S CA -0.098 58.091 58.200 -0.019 0.000 1.065 290 S CB 0.479 63.675 63.200 -0.006 0.000 0.807 290 S HN 0.447 nan 8.310 nan 0.000 0.499 291 K N 3.424 123.672 120.400 -0.253 0.000 2.418 291 K HA 0.004 4.324 4.320 -0.001 0.000 0.195 291 K C -0.492 175.716 176.600 -0.653 0.000 1.035 291 K CA 0.829 56.792 56.287 -0.540 0.000 1.003 291 K CB 0.082 32.096 32.500 -0.809 0.000 0.793 291 K HN 0.759 nan 8.250 nan 0.000 0.494 292 Y N 0.206 120.524 120.300 0.030 0.000 2.511 292 Y HA 0.195 4.745 4.550 -0.001 0.000 0.356 292 Y C -1.962 173.986 175.900 0.080 0.000 1.002 292 Y CA -2.183 55.963 58.100 0.077 0.000 1.127 292 Y CB 0.722 39.222 38.460 0.067 0.000 1.137 292 Y HN -0.048 nan 8.280 nan 0.000 0.652 293 P HA -0.205 nan 4.420 nan 0.000 0.217 293 P C 1.432 178.769 177.300 0.062 0.000 1.150 293 P CA 1.461 64.599 63.100 0.063 0.000 0.832 293 P CB 0.654 32.362 31.700 0.015 0.000 0.787 294 K N -0.933 119.511 120.400 0.074 0.000 2.057 294 K HA -0.135 4.185 4.320 -0.001 0.000 0.206 294 K C 2.314 178.882 176.600 -0.054 0.000 1.050 294 K CA 1.255 57.527 56.287 -0.025 0.000 0.935 294 K CB -0.386 32.058 32.500 -0.093 0.000 0.715 294 K HN 0.075 nan 8.250 nan 0.000 0.439 295 Y N -0.128 120.206 120.300 0.057 0.000 2.373 295 Y HA -0.063 4.486 4.550 -0.001 0.000 0.293 295 Y C 2.164 178.056 175.900 -0.013 0.000 1.129 295 Y CA 0.928 59.062 58.100 0.057 0.000 1.226 295 Y CB -0.070 38.422 38.460 0.054 0.000 1.000 295 Y HN 0.143 nan 8.280 nan 0.000 0.549 296 A N -0.576 122.310 122.820 0.109 0.000 1.968 296 A HA -0.126 4.194 4.320 -0.001 0.000 0.217 296 A C 2.198 179.715 177.584 -0.112 0.000 1.169 296 A CA 1.934 53.943 52.037 -0.046 0.000 0.638 296 A CB -1.015 17.971 19.000 -0.024 0.000 0.812 296 A HN 0.367 nan 8.150 nan 0.000 0.446 297 T N 0.014 114.535 114.554 -0.054 0.000 2.821 297 T HA -0.124 4.225 4.350 -0.001 0.000 0.267 297 T C 1.707 176.377 174.700 -0.050 0.000 1.046 297 T CA 1.614 63.680 62.100 -0.058 0.000 1.139 297 T CB -0.197 68.649 68.868 -0.037 0.000 0.871 297 T HN 0.645 nan 8.240 nan 0.000 0.454 298 E N 0.470 120.658 120.200 -0.020 0.000 2.077 298 E HA -0.073 4.277 4.350 -0.001 0.000 0.193 298 E C 2.076 178.687 176.600 0.018 0.000 0.989 298 E CA 0.667 57.104 56.400 0.061 0.000 0.800 298 E CB -0.208 29.582 29.700 0.150 0.000 0.746 298 E HN 0.217 nan 8.360 nan 0.000 0.452 299 L N 0.667 121.707 121.223 -0.305 0.000 2.083 299 L HA -0.139 4.200 4.340 -0.001 0.000 0.209 299 L C 2.188 178.826 176.870 -0.387 0.000 1.083 299 L CA 1.619 56.005 54.840 -0.756 0.000 0.752 299 L CB -0.320 41.126 42.059 -1.022 0.000 0.899 299 L HN 0.175 nan 8.230 nan 0.000 0.433 300 M N -1.201 118.212 119.600 -0.311 0.000 2.108 300 M HA -0.284 4.195 4.480 -0.001 0.000 0.261 300 M C 2.260 178.513 176.300 -0.078 0.000 1.066 300 M CA 1.896 57.035 55.300 -0.268 0.000 1.107 300 M CB -0.095 32.400 32.600 -0.174 0.000 1.356 300 M HN 0.400 nan 8.290 nan 0.000 0.406 301 Q N -1.012 118.793 119.800 0.008 0.000 2.084 301 Q HA -0.213 4.127 4.340 -0.001 0.000 0.202 301 Q C 1.866 177.931 176.000 0.109 0.000 0.978 301 Q CA 1.803 57.658 55.803 0.087 0.000 0.844 301 Q CB -0.293 28.508 28.738 0.105 0.000 0.898 301 Q HN 0.537 nan 8.270 nan 0.000 0.426 302 F N 0.618 120.568 119.950 -0.001 0.000 2.293 302 F HA -0.105 4.421 4.527 -0.001 0.000 0.300 302 F C 1.569 177.367 175.800 -0.002 0.000 1.086 302 F CA 0.942 58.981 58.000 0.065 0.000 1.375 302 F CB 0.259 39.381 39.000 0.205 0.000 1.045 302 F HN -0.030 nan 8.300 nan 0.000 0.516 303 L N -0.931 120.342 121.223 0.085 0.000 2.446 303 L HA 0.021 4.360 4.340 -0.001 0.000 0.219 303 L C 1.596 178.462 176.870 -0.007 0.000 1.116 303 L CA 1.141 55.997 54.840 0.027 0.000 0.844 303 L CB -0.452 41.575 42.059 -0.054 0.000 0.970 303 L HN 0.151 nan 8.230 nan 0.000 0.457 304 T N -3.948 110.622 114.554 0.026 0.000 3.228 304 T HA 0.177 4.527 4.350 -0.001 0.000 0.278 304 T C 0.623 175.367 174.700 0.074 0.000 1.014 304 T CA -0.267 61.893 62.100 0.101 0.000 0.904 304 T CB -0.116 68.872 68.868 0.199 0.000 1.110 304 T HN 0.159 nan 8.240 nan 0.000 0.541 305 S N 0.686 116.307 115.700 -0.131 0.000 2.603 305 S HA 0.324 4.794 4.470 -0.001 0.000 0.268 305 S C 1.371 175.838 174.600 -0.221 0.000 1.317 305 S CA -0.817 57.270 58.200 -0.188 0.000 1.012 305 S CB 1.772 64.788 63.200 -0.306 0.000 0.926 305 S HN 0.373 nan 8.310 nan 0.000 0.539 306 K N 0.918 121.202 120.400 -0.194 0.000 2.059 306 K HA -0.245 4.075 4.320 -0.001 0.000 0.212 306 K C 1.560 178.056 176.600 -0.173 0.000 1.050 306 K CA 2.271 58.457 56.287 -0.169 0.000 0.927 306 K CB -0.364 32.048 32.500 -0.145 0.000 0.714 306 K HN 0.764 nan 8.250 nan 0.000 0.447 307 E N -0.041 120.034 120.200 -0.208 0.000 2.152 307 E HA -0.091 4.259 4.350 -0.001 0.000 0.192 307 E C 1.747 178.079 176.600 -0.447 0.000 0.983 307 E CA 1.172 57.460 56.400 -0.186 0.000 0.818 307 E CB -0.134 29.525 29.700 -0.068 0.000 0.758 307 E HN 0.451 nan 8.360 nan 0.000 0.467 308 A N 0.276 122.569 122.820 -0.880 0.000 1.929 308 A HA -0.072 4.247 4.320 -0.001 0.000 0.216 308 A C 1.835 179.024 177.584 -0.658 0.000 1.176 308 A CA 0.819 51.956 52.037 -1.501 0.000 0.628 308 A CB -0.232 17.901 19.000 -1.445 0.000 0.816 308 A HN 0.151 nan 8.150 nan 0.000 0.444 309 L N -0.609 120.413 121.223 -0.334 0.000 2.240 309 L HA 0.075 4.415 4.340 -0.001 0.000 0.211 309 L C 2.797 179.658 176.870 -0.015 0.000 1.106 309 L CA 1.347 56.118 54.840 -0.116 0.000 0.793 309 L CB -1.155 40.878 42.059 -0.044 0.000 0.927 309 L HN 0.396 nan 8.230 nan 0.000 0.446 310 A N -1.340 121.459 122.820 -0.034 0.000 1.873 310 A HA -0.214 4.105 4.320 -0.001 0.000 0.215 310 A C 2.605 180.275 177.584 0.145 0.000 1.186 310 A CA 1.874 53.953 52.037 0.071 0.000 0.616 310 A CB -0.838 18.187 19.000 0.042 0.000 0.823 310 A HN 0.403 nan 8.150 nan 0.000 0.442 311 S N -0.710 115.067 115.700 0.128 0.000 2.382 311 S HA -0.207 4.262 4.470 -0.001 0.000 0.228 311 S C 2.205 176.915 174.600 0.183 0.000 1.027 311 S CA 1.535 59.877 58.200 0.237 0.000 0.991 311 S CB -0.404 63.122 63.200 0.543 0.000 0.823 311 S HN 0.573 nan 8.310 nan 0.000 0.469 312 R N -0.845 119.721 120.500 0.110 0.000 2.073 312 R HA -0.078 4.261 4.340 -0.001 0.000 0.234 312 R C 2.181 178.543 176.300 0.104 0.000 1.134 312 R CA 1.774 57.934 56.100 0.099 0.000 0.952 312 R CB -0.573 29.755 30.300 0.046 0.000 0.850 312 R HN 0.576 nan 8.270 nan 0.000 0.433 313 F N 1.699 121.655 119.950 0.010 0.000 2.102 313 F HA -0.165 4.361 4.527 -0.001 0.000 0.298 313 F C 1.810 177.624 175.800 0.023 0.000 1.105 313 F CA 1.655 59.659 58.000 0.007 0.000 1.239 313 F CB -0.101 38.899 39.000 0.000 0.000 0.991 313 F HN -0.125 nan 8.300 nan 0.000 0.474 314 K N -0.048 120.264 120.400 -0.147 0.000 2.063 314 K HA -0.239 4.080 4.320 -0.001 0.000 0.208 314 K C 2.177 178.654 176.600 -0.206 0.000 1.048 314 K CA 1.918 58.068 56.287 -0.227 0.000 0.928 314 K CB -0.340 32.166 32.500 0.011 0.000 0.713 314 K HN 0.455 nan 8.250 nan 0.000 0.442 315 E N -0.064 120.086 120.200 -0.083 0.000 2.122 315 E HA -0.104 4.246 4.350 -0.001 0.000 0.190 315 E C 1.591 178.150 176.600 -0.068 0.000 0.977 315 E CA 1.462 57.838 56.400 -0.041 0.000 0.820 315 E CB 0.336 30.063 29.700 0.045 0.000 0.770 315 E HN 0.382 nan 8.360 nan 0.000 0.462 316 T N -4.329 110.175 114.554 -0.084 0.000 2.990 316 T HA 0.298 4.647 4.350 -0.001 0.000 0.249 316 T C 1.525 176.156 174.700 -0.114 0.000 1.039 316 T CA 0.596 62.660 62.100 -0.060 0.000 1.036 316 T CB 0.779 69.644 68.868 -0.006 0.000 0.994 316 T HN 0.279 nan 8.240 nan 0.000 0.489 317 G N 1.568 110.224 108.800 -0.241 0.000 2.179 317 G HA2 -0.235 3.725 3.960 -0.001 0.000 0.260 317 G HA3 -0.235 3.725 3.960 -0.001 0.000 0.260 317 G C -0.187 174.696 174.900 -0.030 0.000 0.977 317 G CA 0.161 45.090 45.100 -0.286 0.000 0.641 317 G HN 0.664 nan 8.290 nan 0.000 0.533 318 E N 0.715 120.942 120.200 0.046 0.000 2.289 318 E HA 0.355 4.704 4.350 -0.001 0.000 0.278 318 E C 0.446 177.178 176.600 0.219 0.000 1.032 318 E CA -0.759 55.697 56.400 0.092 0.000 0.854 318 E CB 0.972 30.702 29.700 0.050 0.000 1.046 318 E HN 0.184 nan 8.360 nan 0.000 0.409 319 I N 5.489 126.139 120.570 0.132 0.000 2.421 319 I HA 0.083 4.253 4.170 -0.001 0.000 0.291 319 I C -2.020 174.112 176.117 0.025 0.000 1.089 319 I CA -3.188 58.152 61.300 0.068 0.000 1.354 319 I CB -0.691 37.311 38.000 0.003 0.000 1.413 319 I HN 0.156 nan 8.210 nan 0.000 0.513 320 P HA 0.226 nan 4.420 nan 0.000 0.276 320 P C -2.435 174.873 177.300 0.014 0.000 1.243 320 P CA -1.661 61.450 63.100 0.018 0.000 0.768 320 P CB 0.303 32.016 31.700 0.022 0.000 0.856 321 P HA 0.099 nan 4.420 nan 0.000 0.235 321 P C 0.078 177.475 177.300 0.161 0.000 1.725 321 P CA -0.008 63.135 63.100 0.072 0.000 0.894 321 P CB -0.158 31.574 31.700 0.052 0.000 1.704 322 Q N 0.913 120.774 119.800 0.102 0.000 2.295 322 Q HA 0.143 4.483 4.340 -0.001 0.000 0.259 322 Q C 1.138 177.101 176.000 -0.062 0.000 0.976 322 Q CA -0.129 55.670 55.803 -0.007 0.000 0.923 322 Q CB 0.783 29.472 28.738 -0.082 0.000 1.185 322 Q HN -0.073 nan 8.270 nan 0.000 0.410 323 K N 2.839 123.188 120.400 -0.084 0.000 2.059 323 K HA -0.292 4.027 4.320 -0.001 0.000 0.212 323 K C 1.352 177.904 176.600 -0.080 0.000 1.050 323 K CA 2.192 58.436 56.287 -0.070 0.000 0.927 323 K CB 0.147 32.602 32.500 -0.075 0.000 0.714 323 K HN 0.772 nan 8.250 nan 0.000 0.447 324 E N 0.519 120.656 120.200 -0.104 0.000 2.072 324 E HA -0.099 4.250 4.350 -0.001 0.000 0.190 324 E C 2.034 178.581 176.600 -0.089 0.000 0.982 324 E CA 0.577 56.921 56.400 -0.093 0.000 0.803 324 E CB 0.121 29.758 29.700 -0.104 0.000 0.755 324 E HN 0.201 nan 8.360 nan 0.000 0.453 325 L N 0.524 121.686 121.223 -0.101 0.000 2.093 325 L HA -0.163 4.177 4.340 -0.001 0.000 0.208 325 L C 2.397 179.180 176.870 -0.144 0.000 1.085 325 L CA 0.651 55.421 54.840 -0.116 0.000 0.755 325 L CB -0.274 41.716 42.059 -0.115 0.000 0.904 325 L HN 0.211 nan 8.230 nan 0.000 0.435 326 L N -0.188 120.964 121.223 -0.118 0.000 2.127 326 L HA -0.227 4.112 4.340 -0.001 0.000 0.211 326 L C 2.093 178.907 176.870 -0.094 0.000 1.089 326 L CA 1.248 56.021 54.840 -0.112 0.000 0.757 326 L CB -0.457 41.560 42.059 -0.069 0.000 0.899 326 L HN 0.348 nan 8.230 nan 0.000 0.434 327 N N -0.829 117.824 118.700 -0.079 0.000 2.415 327 N HA -0.096 4.643 4.740 -0.001 0.000 0.176 327 N C 0.457 175.932 175.510 -0.059 0.000 1.042 327 N CA 0.047 53.060 53.050 -0.060 0.000 0.902 327 N CB 0.161 38.618 38.487 -0.050 0.000 0.986 327 N HN 0.102 nan 8.380 nan 0.000 0.447 328 D N 0.538 120.895 120.400 -0.072 0.000 2.450 328 D HA -0.004 4.636 4.640 -0.001 0.000 0.247 328 D C -1.501 174.763 176.300 -0.059 0.000 1.162 328 D CA -1.690 52.274 54.000 -0.060 0.000 0.879 328 D CB 1.044 41.805 40.800 -0.066 0.000 1.163 328 D HN 0.076 nan 8.370 nan 0.000 0.472 329 P HA -0.283 nan 4.420 nan 0.000 0.222 329 P C 1.757 179.049 177.300 -0.013 0.000 1.155 329 P CA 1.431 64.520 63.100 -0.017 0.000 0.890 329 P CB -0.116 31.584 31.700 -0.001 0.000 0.790 330 M N -2.490 117.103 119.600 -0.011 0.000 2.146 330 M HA -0.254 4.226 4.480 -0.001 0.000 0.256 330 M C 1.434 177.700 176.300 -0.057 0.000 1.075 330 M CA 2.103 57.414 55.300 0.019 0.000 1.082 330 M CB -0.222 32.385 32.600 0.011 0.000 1.355 330 M HN -0.090 nan 8.290 nan 0.000 0.402 331 I N -1.896 118.566 120.570 -0.180 0.000 3.570 331 I HA -0.070 4.100 4.170 -0.001 0.000 0.270 331 I C 2.033 178.088 176.117 -0.103 0.000 1.162 331 I CA 0.401 61.547 61.300 -0.255 0.000 1.413 331 I CB -0.350 37.388 38.000 -0.437 0.000 1.437 331 I HN 0.045 nan 8.210 nan 0.000 0.457 332 K N 0.868 121.218 120.400 -0.083 0.000 2.097 332 K HA -0.118 4.202 4.320 -0.001 0.000 0.206 332 K C 1.118 177.705 176.600 -0.021 0.000 1.049 332 K CA 1.646 57.906 56.287 -0.046 0.000 0.933 332 K CB 0.085 32.560 32.500 -0.042 0.000 0.717 332 K HN 0.256 nan 8.250 nan 0.000 0.442 333 N N 0.631 119.323 118.700 -0.013 0.000 2.205 333 N HA -0.050 4.690 4.740 -0.001 0.000 0.201 333 N C -0.412 175.107 175.510 0.015 0.000 1.128 333 N CA 0.046 53.096 53.050 0.001 0.000 0.867 333 N CB 0.132 38.620 38.487 0.002 0.000 0.996 333 N HN 0.127 nan 8.380 nan 0.000 0.503 334 N N 2.266 120.983 118.700 0.028 0.000 2.411 334 N HA 0.162 4.902 4.740 -0.001 0.000 0.259 334 N C -1.782 173.757 175.510 0.048 0.000 1.103 334 N CA -1.727 51.357 53.050 0.056 0.000 0.954 334 N CB 1.472 40.024 38.487 0.109 0.000 1.085 334 N HN -0.105 nan 8.380 nan 0.000 0.485 335 P HA -0.154 nan 4.420 nan 0.000 0.219 335 P C 1.135 178.427 177.300 -0.014 0.000 1.146 335 P CA 0.673 63.777 63.100 0.006 0.000 0.808 335 P CB 0.412 32.115 31.700 0.005 0.000 0.779 336 V N -0.512 119.413 119.914 0.018 0.000 2.239 336 V HA -0.185 3.934 4.120 -0.001 0.000 0.242 336 V C 2.452 178.592 176.094 0.077 0.000 1.038 336 V CA 1.737 64.048 62.300 0.018 0.000 1.002 336 V CB -1.275 30.596 31.823 0.079 0.000 0.641 336 V HN -0.078 nan 8.190 nan 0.000 0.449 337 V N 0.928 120.969 119.914 0.211 0.000 2.324 337 V HA -0.325 3.795 4.120 -0.001 0.000 0.250 337 V C 2.386 178.586 176.094 0.176 0.000 1.060 337 V CA 2.457 64.943 62.300 0.310 0.000 1.042 337 V CB -1.189 30.787 31.823 0.255 0.000 0.650 337 V HN 0.676 nan 8.190 nan 0.000 0.450 338 N N 1.116 119.853 118.700 0.062 0.000 2.069 338 N HA -0.192 4.548 4.740 -0.001 0.000 0.196 338 N C 1.844 177.333 175.510 -0.035 0.000 1.024 338 N CA 2.172 55.227 53.050 0.009 0.000 0.869 338 N CB -0.773 37.710 38.487 -0.007 0.000 1.035 338 N HN 0.443 nan 8.380 nan 0.000 0.434 339 G N -1.268 107.451 108.800 -0.135 0.000 2.418 339 G HA2 -0.206 3.753 3.960 -0.001 0.000 0.217 339 G HA3 -0.206 3.753 3.960 -0.001 0.000 0.217 339 G C 1.258 176.026 174.900 -0.221 0.000 1.158 339 G CA 0.752 45.715 45.100 -0.228 0.000 0.771 339 G HN 0.326 nan 8.290 nan 0.000 0.545 340 F N 1.771 121.692 119.950 -0.048 0.000 2.134 340 F HA 0.058 4.585 4.527 0.000 0.000 0.299 340 F C 3.022 178.797 175.800 -0.040 0.000 1.097 340 F CA 0.846 58.809 58.000 -0.063 0.000 1.264 340 F CB -0.649 38.307 39.000 -0.074 0.000 1.001 340 F HN 0.244 nan 8.300 nan 0.000 0.479 341 A N -0.097 122.815 122.820 0.153 0.000 1.930 341 A HA -0.129 4.191 4.320 -0.001 0.000 0.217 341 A C 2.332 179.939 177.584 0.038 0.000 1.175 341 A CA 1.201 53.284 52.037 0.078 0.000 0.627 341 A CB -0.401 18.627 19.000 0.048 0.000 0.815 341 A HN 0.086 nan 8.150 nan 0.000 0.443 342 K N -0.412 119.995 120.400 0.012 0.000 2.026 342 K HA -0.185 4.134 4.320 -0.001 0.000 0.208 342 K C 2.180 178.776 176.600 -0.006 0.000 1.048 342 K CA 1.802 58.085 56.287 -0.006 0.000 0.929 342 K CB -0.494 31.990 32.500 -0.027 0.000 0.713 342 K HN 0.533 nan 8.250 nan 0.000 0.439 343 Q N 0.815 120.607 119.800 -0.013 0.000 2.050 343 Q HA -0.029 4.311 4.340 -0.001 0.000 0.202 343 Q C 1.889 177.898 176.000 0.015 0.000 0.980 343 Q CA 2.065 57.856 55.803 -0.020 0.000 0.840 343 Q CB -0.502 28.210 28.738 -0.042 0.000 0.898 343 Q HN 0.276 nan 8.270 nan 0.000 0.424 344 A N -0.130 122.718 122.820 0.047 0.000 1.978 344 A HA -0.184 4.136 4.320 -0.001 0.000 0.220 344 A C 2.206 179.821 177.584 0.053 0.000 1.170 344 A CA 2.072 54.147 52.037 0.064 0.000 0.636 344 A CB -0.950 18.096 19.000 0.078 0.000 0.810 344 A HN 0.579 nan 8.150 nan 0.000 0.448 345 S N -0.841 114.882 115.700 0.037 0.000 2.481 345 S HA -0.041 4.428 4.470 -0.001 0.000 0.231 345 S C 1.395 176.015 174.600 0.033 0.000 0.996 345 S CA 1.076 59.295 58.200 0.031 0.000 0.942 345 S CB -0.066 63.146 63.200 0.020 0.000 0.768 345 S HN 0.448 nan 8.310 nan 0.000 0.520 346 K N 1.452 121.869 120.400 0.029 0.000 2.374 346 K HA 0.331 4.651 4.320 -0.001 0.000 0.196 346 K C 1.083 177.714 176.600 0.051 0.000 1.023 346 K CA 0.381 56.686 56.287 0.030 0.000 1.103 346 K CB -0.042 32.463 32.500 0.009 0.000 0.848 346 K HN 0.449 nan 8.250 nan 0.000 0.528 347 G N 1.072 109.912 108.800 0.067 0.000 2.543 347 G HA2 0.419 4.378 3.960 -0.001 0.000 0.290 347 G HA3 0.419 4.378 3.960 -0.001 0.000 0.290 347 G C -0.433 174.548 174.900 0.135 0.000 1.310 347 G CA -0.436 44.727 45.100 0.104 0.000 1.025 347 G HN -0.003 nan 8.290 nan 0.000 0.502 348 V N -2.418 117.610 119.914 0.191 0.000 2.656 348 V HA 0.653 4.773 4.120 -0.001 0.000 0.307 348 V C -2.548 173.705 176.094 0.265 0.000 1.051 348 V CA -2.701 59.726 62.300 0.212 0.000 0.893 348 V CB 2.014 33.979 31.823 0.235 0.000 0.999 348 V HN 0.607 nan 8.190 nan 0.000 0.426 349 P HA 0.147 nan 4.420 nan 0.000 0.265 349 P C 0.064 177.510 177.300 0.244 0.000 1.193 349 P CA -0.015 63.234 63.100 0.249 0.000 0.765 349 P CB 0.515 32.309 31.700 0.156 0.000 0.823 350 M N 4.599 124.256 119.600 0.096 0.000 2.240 350 M HA 0.002 4.481 4.480 -0.001 0.000 0.346 350 M C -1.755 174.526 176.300 -0.031 0.000 1.236 350 M CA -0.637 54.455 55.300 -0.346 0.000 0.986 350 M CB -0.816 31.414 32.600 -0.617 0.000 1.786 350 M HN 0.233 nan 8.290 nan 0.000 0.457 351 P HA -0.057 nan 4.420 nan 0.000 0.266 351 P C -0.283 177.035 177.300 0.030 0.000 1.186 351 P CA 0.310 63.460 63.100 0.083 0.000 0.767 351 P CB 0.465 32.291 31.700 0.210 0.000 0.820 352 S N 0.448 116.185 115.700 0.062 0.000 2.819 352 S HA 0.192 4.661 4.470 -0.001 0.000 0.249 352 S C 0.703 175.294 174.600 -0.016 0.000 1.030 352 S CA -0.530 57.693 58.200 0.038 0.000 1.052 352 S CB -0.891 62.404 63.200 0.159 0.000 1.017 352 S HN 0.474 nan 8.310 nan 0.000 0.576 353 I N -0.848 119.701 120.570 -0.034 0.000 2.692 353 I HA 0.332 4.502 4.170 -0.001 0.000 0.284 353 I C -1.876 174.167 176.117 -0.123 0.000 1.159 353 I CA -1.878 59.386 61.300 -0.060 0.000 1.423 353 I CB 0.314 38.174 38.000 -0.233 0.000 1.380 353 I HN -0.189 nan 8.210 nan 0.000 0.580 354 P HA -0.239 nan 4.420 nan 0.000 0.217 354 P C 1.110 178.368 177.300 -0.071 0.000 1.151 354 P CA 1.605 64.624 63.100 -0.135 0.000 0.849 354 P CB -0.128 31.513 31.700 -0.097 0.000 0.787 355 E N -0.922 119.246 120.200 -0.053 0.000 2.333 355 E HA -0.172 4.177 4.350 -0.001 0.000 0.198 355 E C 1.804 178.482 176.600 0.130 0.000 1.007 355 E CA 0.844 57.266 56.400 0.036 0.000 0.845 355 E CB -1.109 28.636 29.700 0.076 0.000 0.766 355 E HN 0.227 nan 8.360 nan 0.000 0.507 356 M N 1.998 121.666 119.600 0.114 0.000 2.195 356 M HA -0.030 4.449 4.480 -0.001 0.000 0.260 356 M C 2.014 178.310 176.300 -0.006 0.000 1.066 356 M CA 1.802 57.165 55.300 0.104 0.000 1.089 356 M CB -0.884 31.752 32.600 0.059 0.000 1.377 356 M HN 0.157 nan 8.290 nan 0.000 0.411 357 G N -1.620 107.182 108.800 0.003 0.000 2.653 357 G HA2 0.035 3.995 3.960 -0.001 0.000 0.212 357 G HA3 0.035 3.995 3.960 -0.001 0.000 0.212 357 G C 0.962 175.869 174.900 0.011 0.000 1.138 357 G CA 0.923 46.028 45.100 0.009 0.000 0.782 357 G HN 0.458 nan 8.290 nan 0.000 0.535 358 V N -0.701 119.210 119.914 -0.005 0.000 3.604 358 V HA 0.060 4.180 4.120 -0.001 0.000 0.277 358 V C 2.418 178.479 176.094 -0.055 0.000 1.399 358 V CA 0.160 62.452 62.300 -0.013 0.000 1.034 358 V CB 0.872 32.694 31.823 -0.003 0.000 0.824 358 V HN 0.170 nan 8.190 nan 0.000 0.439 359 V N -0.364 119.465 119.914 -0.142 0.000 2.323 359 V HA -0.190 3.930 4.120 -0.001 0.000 0.244 359 V C 2.149 178.113 176.094 -0.217 0.000 1.041 359 V CA 2.187 64.314 62.300 -0.290 0.000 1.025 359 V CB -0.609 30.906 31.823 -0.514 0.000 0.656 359 V HN 0.621 nan 8.190 nan 0.000 0.451 360 W N 0.490 121.783 121.300 -0.012 0.000 2.332 360 W HA -0.188 4.471 4.660 -0.001 0.000 0.321 360 W C 2.572 179.083 176.519 -0.013 0.000 1.219 360 W CA 1.762 59.114 57.345 0.011 0.000 1.277 360 W CB -0.466 28.993 29.460 -0.001 0.000 1.161 360 W HN 0.218 nan 8.180 nan 0.000 0.476 361 E N 0.244 120.562 120.200 0.197 0.000 2.033 361 E HA -0.255 4.095 4.350 -0.001 0.000 0.199 361 E C -0.285 176.340 176.600 0.042 0.000 1.011 361 E CA 2.221 58.675 56.400 0.091 0.000 0.815 361 E CB -1.243 28.488 29.700 0.052 0.000 0.755 361 E HN 0.006 nan 8.360 nan 0.000 0.451 362 P HA -0.179 nan 4.420 nan 0.000 0.213 362 P C 1.709 178.998 177.300 -0.018 0.000 1.170 362 P CA 1.073 64.170 63.100 -0.004 0.000 0.898 362 P CB -0.256 31.426 31.700 -0.028 0.000 0.787 363 I N -0.058 120.473 120.570 -0.065 0.000 2.248 363 I HA -0.265 3.905 4.170 -0.001 0.000 0.248 363 I C 1.614 177.820 176.117 0.149 0.000 1.107 363 I CA 1.801 63.054 61.300 -0.079 0.000 1.373 363 I CB -0.847 36.923 38.000 -0.382 0.000 1.055 363 I HN -0.145 nan 8.210 nan 0.000 0.418 364 N N 0.261 119.038 118.700 0.127 0.000 2.300 364 N HA -0.066 4.674 4.740 -0.001 0.000 0.179 364 N C 1.596 177.108 175.510 0.003 0.000 1.016 364 N CA 1.192 54.316 53.050 0.122 0.000 0.876 364 N CB -0.590 37.969 38.487 0.119 0.000 0.979 364 N HN 0.522 nan 8.380 nan 0.000 0.432 365 N N 0.728 119.359 118.700 -0.113 0.000 2.069 365 N HA -0.107 4.633 4.740 -0.001 0.000 0.191 365 N C 1.690 176.784 175.510 -0.694 0.000 1.031 365 N CA 1.154 53.947 53.050 -0.428 0.000 0.852 365 N CB -0.056 38.251 38.487 -0.300 0.000 1.018 365 N HN 0.188 nan 8.380 nan 0.000 0.423 366 A N 0.854 123.547 122.820 -0.212 0.000 1.917 366 A HA -0.227 4.092 4.320 -0.001 0.000 0.219 366 A C 1.710 179.290 177.584 -0.006 0.000 1.182 366 A CA 1.607 53.646 52.037 0.003 0.000 0.633 366 A CB -0.896 18.144 19.000 0.066 0.000 0.819 366 A HN 0.356 nan 8.150 nan 0.000 0.448 367 H N -0.727 118.319 119.070 -0.040 0.000 2.321 367 H HA -0.072 4.483 4.556 -0.001 0.000 0.300 367 H C 2.383 177.650 175.328 -0.101 0.000 1.087 367 H CA 2.154 58.222 56.048 0.034 0.000 1.319 367 H CB -0.409 29.434 29.762 0.136 0.000 1.379 367 H HN 0.449 nan 8.280 nan 0.000 0.501 368 T N 0.515 115.008 114.554 -0.102 0.000 2.746 368 T HA -0.146 4.204 4.350 -0.001 0.000 0.267 368 T C 1.452 176.075 174.700 -0.129 0.000 1.039 368 T CA 1.236 63.208 62.100 -0.212 0.000 1.142 368 T CB -0.341 68.349 68.868 -0.297 0.000 0.866 368 T HN 0.163 nan 8.240 nan 0.000 0.444 369 F N 1.362 121.296 119.950 -0.027 0.000 2.171 369 F HA -0.048 4.479 4.527 -0.001 0.000 0.300 369 F C 2.564 178.331 175.800 -0.054 0.000 1.090 369 F CA 0.115 58.094 58.000 -0.035 0.000 1.293 369 F CB -1.423 37.568 39.000 -0.015 0.000 1.013 369 F HN 0.094 nan 8.300 nan 0.000 0.486 370 V N -1.934 118.043 119.914 0.105 0.000 2.407 370 V HA 0.043 4.162 4.120 -0.001 0.000 0.245 370 V C 2.487 178.547 176.094 -0.057 0.000 1.041 370 V CA 1.078 63.400 62.300 0.037 0.000 1.040 370 V CB -1.745 30.100 31.823 0.037 0.000 0.671 370 V HN 0.178 nan 8.190 nan 0.000 0.455 371 A N -0.021 122.645 122.820 -0.257 0.000 1.908 371 A HA -0.267 4.053 4.320 -0.001 0.000 0.218 371 A C 2.170 179.555 177.584 -0.330 0.000 1.181 371 A CA 2.323 53.942 52.037 -0.697 0.000 0.627 371 A CB -0.674 17.451 19.000 -1.458 0.000 0.818 371 A HN 0.555 nan 8.150 nan 0.000 0.445 372 Q N -1.778 117.927 119.800 -0.159 0.000 2.167 372 Q HA 0.180 4.520 4.340 -0.001 0.000 0.202 372 Q C 1.416 177.419 176.000 0.004 0.000 0.970 372 Q CA 1.426 57.205 55.803 -0.041 0.000 0.855 372 Q CB -0.220 28.535 28.738 0.028 0.000 0.911 372 Q HN 1.092 nan 8.270 nan 0.000 0.438 373 G N -0.936 107.872 108.800 0.015 0.000 2.144 373 G HA2 -0.245 3.714 3.960 -0.001 0.000 0.218 373 G HA3 -0.245 3.714 3.960 -0.001 0.000 0.218 373 G C 0.945 175.861 174.900 0.027 0.000 0.988 373 G CA 0.444 45.562 45.100 0.030 0.000 0.659 373 G HN 0.137 nan 8.290 nan 0.000 0.522 374 K N -0.287 120.135 120.400 0.036 0.000 2.137 374 K HA 0.110 4.430 4.320 -0.001 0.000 0.202 374 K C 1.199 177.785 176.600 -0.023 0.000 1.052 374 K CA 1.117 57.407 56.287 0.005 0.000 0.961 374 K CB 0.077 32.579 32.500 0.003 0.000 0.741 374 K HN 0.681 nan 8.250 nan 0.000 0.452 375 Q N 0.112 119.918 119.800 0.010 0.000 2.423 375 Q HA 0.188 4.528 4.340 -0.001 0.000 0.278 375 Q C -0.581 175.436 176.000 0.028 0.000 1.097 375 Q CA -0.597 55.203 55.803 -0.005 0.000 0.809 375 Q CB 2.036 30.754 28.738 -0.033 0.000 1.391 375 Q HN 0.097 nan 8.270 nan 0.000 0.428 376 T N -2.199 112.364 114.554 0.015 0.000 2.813 376 T HA 0.133 4.482 4.350 -0.001 0.000 0.297 376 T C -1.889 172.829 174.700 0.031 0.000 1.036 376 T CA -1.231 60.881 62.100 0.021 0.000 1.044 376 T CB 0.373 69.247 68.868 0.011 0.000 0.993 376 T HN 0.247 nan 8.240 nan 0.000 0.535 377 P HA -0.124 nan 4.420 nan 0.000 0.216 377 P C 1.701 179.020 177.300 0.030 0.000 1.150 377 P CA 0.983 64.103 63.100 0.033 0.000 0.843 377 P CB 0.076 31.790 31.700 0.024 0.000 0.787 378 E N -0.556 119.656 120.200 0.020 0.000 2.031 378 E HA -0.236 4.114 4.350 -0.001 0.000 0.193 378 E C 2.104 178.710 176.600 0.010 0.000 0.994 378 E CA 1.348 57.756 56.400 0.013 0.000 0.800 378 E CB -0.406 29.298 29.700 0.006 0.000 0.752 378 E HN 0.194 nan 8.360 nan 0.000 0.447 379 Q N 0.621 120.425 119.800 0.007 0.000 2.046 379 Q HA -0.066 4.274 4.340 -0.001 0.000 0.200 379 Q C 1.941 177.950 176.000 0.015 0.000 0.975 379 Q CA 2.000 57.803 55.803 -0.001 0.000 0.836 379 Q CB -0.441 28.286 28.738 -0.018 0.000 0.896 379 Q HN 0.209 nan 8.270 nan 0.000 0.428 380 A N 0.301 123.147 122.820 0.044 0.000 1.883 380 A HA -0.172 4.148 4.320 -0.001 0.000 0.217 380 A C 2.132 179.758 177.584 0.069 0.000 1.186 380 A CA 1.687 53.788 52.037 0.106 0.000 0.624 380 A CB -0.881 18.213 19.000 0.156 0.000 0.822 380 A HN 0.467 nan 8.150 nan 0.000 0.444 381 L N -0.659 120.582 121.223 0.031 0.000 2.109 381 L HA -0.146 4.193 4.340 -0.001 0.000 0.207 381 L C 2.301 179.161 176.870 -0.015 0.000 1.086 381 L CA 0.942 55.779 54.840 -0.005 0.000 0.760 381 L CB -0.637 41.422 42.059 0.001 0.000 0.910 381 L HN 0.347 nan 8.230 nan 0.000 0.437 382 N N 0.293 118.991 118.700 -0.004 0.000 2.104 382 N HA -0.188 4.552 4.740 -0.001 0.000 0.190 382 N C 1.436 176.941 175.510 -0.008 0.000 1.024 382 N CA 1.442 54.487 53.050 -0.009 0.000 0.853 382 N CB -0.310 38.173 38.487 -0.006 0.000 1.008 382 N HN 0.279 nan 8.380 nan 0.000 0.424 383 D N 0.582 120.984 120.400 0.004 0.000 2.117 383 D HA -0.032 4.608 4.640 -0.001 0.000 0.197 383 D C 1.841 178.148 176.300 0.012 0.000 0.987 383 D CA 1.120 55.128 54.000 0.012 0.000 0.829 383 D CB -0.388 40.430 40.800 0.031 0.000 0.961 383 D HN 0.227 nan 8.370 nan 0.000 0.460 384 A N 0.762 123.587 122.820 0.008 0.000 1.877 384 A HA -0.159 4.161 4.320 -0.001 0.000 0.216 384 A C 2.464 180.015 177.584 -0.055 0.000 1.186 384 A CA 2.325 54.350 52.037 -0.021 0.000 0.620 384 A CB -0.958 18.009 19.000 -0.055 0.000 0.822 384 A HN 0.238 nan 8.150 nan 0.000 0.443 385 V N -1.460 118.415 119.914 -0.065 0.000 2.626 385 V HA -0.173 3.947 4.120 -0.001 0.000 0.252 385 V C 2.182 178.252 176.094 -0.040 0.000 1.067 385 V CA 2.423 64.680 62.300 -0.071 0.000 1.081 385 V CB -0.908 30.871 31.823 -0.074 0.000 0.686 385 V HN 0.582 nan 8.190 nan 0.000 0.468 386 K N 0.732 121.117 120.400 -0.025 0.000 1.985 386 K HA -0.106 4.214 4.320 -0.001 0.000 0.210 386 K C 2.120 178.714 176.600 -0.010 0.000 1.047 386 K CA 2.488 58.767 56.287 -0.013 0.000 0.932 386 K CB -0.415 32.080 32.500 -0.008 0.000 0.716 386 K HN 0.541 nan 8.250 nan 0.000 0.439 387 I N 0.818 121.385 120.570 -0.006 0.000 2.286 387 I HA -0.304 3.865 4.170 -0.001 0.000 0.248 387 I C 2.505 178.616 176.117 -0.010 0.000 1.115 387 I CA 1.224 62.523 61.300 -0.001 0.000 1.392 387 I CB -0.185 37.824 38.000 0.014 0.000 1.065 387 I HN 0.312 nan 8.210 nan 0.000 0.418 388 M N 0.280 119.864 119.600 -0.027 0.000 2.067 388 M HA -0.233 4.246 4.480 -0.001 0.000 0.260 388 M C 2.321 178.613 176.300 -0.014 0.000 1.069 388 M CA 1.984 57.263 55.300 -0.035 0.000 1.117 388 M CB -0.345 32.211 32.600 -0.073 0.000 1.334 388 M HN 0.015 nan 8.290 nan 0.000 0.407 389 K N 0.022 120.415 120.400 -0.011 0.000 2.097 389 K HA -0.167 4.153 4.320 -0.001 0.000 0.206 389 K C 1.812 178.414 176.600 0.004 0.000 1.049 389 K CA 1.385 57.673 56.287 0.002 0.000 0.933 389 K CB -0.138 32.362 32.500 0.001 0.000 0.717 389 K HN 0.387 nan 8.250 nan 0.000 0.442 390 E N 0.554 120.754 120.200 0.000 0.000 2.085 390 E HA -0.169 4.181 4.350 -0.001 0.000 0.194 390 E C 1.617 178.218 176.600 0.002 0.000 0.994 390 E CA 1.053 57.454 56.400 0.002 0.000 0.801 390 E CB 0.154 29.855 29.700 0.001 0.000 0.743 390 E HN 0.172 nan 8.360 nan 0.000 0.453 391 K N 0.266 120.666 120.400 0.001 0.000 2.418 391 K HA 0.015 4.335 4.320 -0.001 0.000 0.195 391 K C 1.901 178.503 176.600 0.003 0.000 1.035 391 K CA 0.288 56.575 56.287 0.001 0.000 1.003 391 K CB 0.294 32.793 32.500 -0.002 0.000 0.793 391 K HN 0.177 nan 8.250 nan 0.000 0.494 392 I N 1.658 122.233 120.570 0.008 0.000 2.315 392 I HA -0.204 3.966 4.170 -0.001 0.000 0.248 392 I C 2.010 178.133 176.117 0.009 0.000 1.117 392 I CA 1.296 62.604 61.300 0.014 0.000 1.404 392 I CB -0.808 37.208 38.000 0.027 0.000 1.071 392 I HN 0.172 nan 8.210 nan 0.000 0.419 393 Q N 0.126 119.930 119.800 0.008 0.000 2.311 393 Q HA -0.044 4.295 4.340 -0.001 0.000 0.203 393 Q C 2.121 178.123 176.000 0.004 0.000 0.954 393 Q CA 1.086 56.893 55.803 0.006 0.000 0.885 393 Q CB -0.760 27.982 28.738 0.006 0.000 0.963 393 Q HN 0.461 nan 8.270 nan 0.000 0.471 394 T N 1.214 115.770 114.554 0.002 0.000 2.867 394 T HA -0.006 4.343 4.350 -0.001 0.000 0.268 394 T C 1.092 175.791 174.700 -0.001 0.000 1.057 394 T CA 0.463 62.563 62.100 0.000 0.000 1.136 394 T CB -0.063 68.804 68.868 -0.001 0.000 0.874 394 T HN 0.220 nan 8.240 nan 0.000 0.466 395 M N 2.022 121.621 119.600 -0.001 0.000 2.248 395 M HA 0.116 4.596 4.480 -0.001 0.000 0.345 395 M C 0.182 176.482 176.300 -0.000 0.000 1.243 395 M CA -0.209 55.089 55.300 -0.004 0.000 1.090 395 M CB 0.115 32.711 32.600 -0.006 0.000 1.683 395 M HN -0.080 nan 8.290 nan 0.000 0.450 396 K N 3.312 123.712 120.400 0.000 0.000 2.572 396 K HA -0.132 4.188 4.320 -0.001 0.000 0.273 396 K C -0.096 176.507 176.600 0.006 0.000 0.990 396 K CA 1.006 57.296 56.287 0.004 0.000 1.097 396 K CB -0.124 32.380 32.500 0.007 0.000 0.819 396 K HN 0.598 nan 8.250 nan 0.000 0.482 397 Q N 0.000 119.804 119.800 0.006 0.000 2.315 397 Q HA 0.000 4.340 4.340 -0.001 0.000 0.214 397 Q CA 0.000 55.807 55.803 0.006 0.000 1.022 397 Q CB 0.000 28.742 28.738 0.007 0.000 1.108 397 Q HN 0.000 nan 8.270 nan 0.000 0.481