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 2py6_1_A DATA FIRST_RESID 14 DATA SEQUENCE DPLAXNDSFL AAADALAVDP XFGIPANVRE VIARRGNATR LVILGTKGFG DATA SEQUENCE AHLXNVRHER PCEVIAAVDD FRYHSGELYY GLPIISTDRF TELATHDRDL DATA SEQUENCE VALNTCRYDG PKRFFDQICR THGIPHLNFE QAVRAFGLQG NVDYRVDDWG DATA SEQUENCE ADIVRNIPAF QTLAQRLADD YSVQTLYAVL NFHLTCEPEY YHEVERPYST DATA SEQUENCE LYFRSGLLRF SDSEKXVDCG ASIGESLAGL IGVTKGKFER VWXIEPDRIN DATA SEQUENCE LQTLQNVLRR YTDTNFASRI TVHGCGAGEN TIRVPFXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXDLID VRPIDDIIDD APTFIKXDIE GSELSALKGA RRAISEHKPK DATA SEQUENCE LAISAYHRST DLLDLTNYIL SIRPDYQIGL RHHTPDRWDT CLYFY 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 14 D HA 0.000 nan 4.640 nan 0.000 0.175 14 D C 0.000 176.331 176.300 0.051 0.000 2.045 14 D CA 0.000 54.016 54.000 0.027 0.000 0.868 14 D CB 0.000 40.818 40.800 0.029 0.000 0.688 15 P HA 0.084 nan 4.420 nan 0.000 0.237 15 P C 1.229 178.576 177.300 0.078 0.000 1.178 15 P CA 0.085 63.230 63.100 0.074 0.000 0.766 15 P CB 0.460 32.194 31.700 0.057 0.000 0.876 16 L N -1.454 119.802 121.223 0.055 0.000 2.592 16 L HA 0.316 4.657 4.340 0.001 0.000 0.227 16 L C 1.170 178.067 176.870 0.044 0.000 1.127 16 L CA -0.131 54.739 54.840 0.050 0.000 0.884 16 L CB -0.109 41.971 42.059 0.034 0.000 1.065 16 L HN -0.021 nan 8.230 nan 0.000 0.457 20 D N 2.022 122.337 120.400 -0.142 0.000 2.097 20 D HA -0.072 4.568 4.640 0.001 0.000 0.197 20 D C 1.945 178.222 176.300 -0.039 0.000 0.984 20 D CA 2.524 56.486 54.000 -0.064 0.000 0.826 20 D CB -0.236 40.542 40.800 -0.035 0.000 0.973 20 D HN 0.555 nan 8.370 nan 0.000 0.460 21 S N 0.379 116.075 115.700 -0.007 0.000 2.399 21 S HA -0.196 4.275 4.470 0.001 0.000 0.231 21 S C 2.035 176.637 174.600 0.003 0.000 1.022 21 S CA 0.565 58.782 58.200 0.028 0.000 0.983 21 S CB -0.848 62.418 63.200 0.111 0.000 0.803 21 S HN 0.282 nan 8.310 nan 0.000 0.480 22 F N 2.721 122.575 119.950 -0.161 0.000 2.069 22 F HA 0.013 4.540 4.527 0.001 0.000 0.298 22 F C 1.899 177.634 175.800 -0.109 0.000 1.113 22 F CA 1.315 59.228 58.000 -0.145 0.000 1.214 22 F CB -0.537 38.382 39.000 -0.136 0.000 0.978 22 F HN 0.156 nan 8.300 nan 0.000 0.474 23 L N 0.011 121.042 121.223 -0.321 0.000 2.056 23 L HA -0.137 4.203 4.340 0.001 0.000 0.207 23 L C 2.854 179.539 176.870 -0.309 0.000 1.078 23 L CA 1.127 55.727 54.840 -0.400 0.000 0.749 23 L CB -1.299 40.658 42.059 -0.171 0.000 0.901 23 L HN 0.282 nan 8.230 nan 0.000 0.433 24 A N 0.146 122.845 122.820 -0.203 0.000 1.902 24 A HA -0.169 4.152 4.320 0.001 0.000 0.217 24 A C 2.521 179.937 177.584 -0.279 0.000 1.181 24 A CA 1.776 53.705 52.037 -0.181 0.000 0.623 24 A CB -0.665 18.281 19.000 -0.091 0.000 0.818 24 A HN 0.402 nan 8.150 nan 0.000 0.443 25 A N -0.270 122.389 122.820 -0.269 0.000 1.930 25 A HA 0.211 4.532 4.320 0.001 0.000 0.217 25 A C 2.477 179.738 177.584 -0.538 0.000 1.175 25 A CA 1.925 53.725 52.037 -0.394 0.000 0.627 25 A CB -0.915 18.029 19.000 -0.094 0.000 0.815 25 A HN 1.021 nan 8.150 nan 0.000 0.443 26 A N -0.031 122.524 122.820 -0.441 0.000 1.930 26 A HA -0.140 4.180 4.320 0.001 0.000 0.217 26 A C 1.740 179.120 177.584 -0.340 0.000 1.175 26 A CA 1.831 53.632 52.037 -0.393 0.000 0.627 26 A CB -0.489 18.207 19.000 -0.506 0.000 0.815 26 A HN 0.436 nan 8.150 nan 0.000 0.443 27 D N 0.087 120.286 120.400 -0.335 0.000 2.117 27 D HA 0.005 4.646 4.640 0.001 0.000 0.198 27 D C 2.248 178.368 176.300 -0.299 0.000 0.982 27 D CA 1.421 55.266 54.000 -0.259 0.000 0.828 27 D CB -0.413 40.264 40.800 -0.204 0.000 0.967 27 D HN 0.401 nan 8.370 nan 0.000 0.464 28 A N 0.803 123.344 122.820 -0.466 0.000 1.858 28 A HA -0.141 4.180 4.320 0.001 0.000 0.216 28 A C 2.151 179.428 177.584 -0.511 0.000 1.190 28 A CA 1.071 52.770 52.037 -0.564 0.000 0.617 28 A CB -0.846 17.552 19.000 -1.003 0.000 0.827 28 A HN 0.245 nan 8.150 nan 0.000 0.443 29 L N -0.134 120.701 121.223 -0.647 0.000 2.079 29 L HA -0.091 4.250 4.340 0.001 0.000 0.210 29 L C 2.669 179.464 176.870 -0.125 0.000 1.081 29 L CA 2.129 56.819 54.840 -0.250 0.000 0.752 29 L CB -0.766 41.200 42.059 -0.154 0.000 0.896 29 L HN 0.367 nan 8.230 nan 0.000 0.433 30 A N -0.872 121.856 122.820 -0.153 0.000 1.940 30 A HA -0.180 4.141 4.320 0.001 0.000 0.219 30 A C 2.093 179.636 177.584 -0.068 0.000 1.176 30 A CA 2.333 54.314 52.037 -0.094 0.000 0.631 30 A CB -1.096 17.842 19.000 -0.103 0.000 0.814 30 A HN 0.553 nan 8.150 nan 0.000 0.446 31 V N -3.736 116.128 119.914 -0.082 0.000 3.621 31 V HA 0.305 4.426 4.120 0.001 0.000 0.285 31 V C -0.051 176.024 176.094 -0.032 0.000 1.346 31 V CA 0.694 62.961 62.300 -0.054 0.000 1.104 31 V CB 0.148 31.936 31.823 -0.059 0.000 0.913 31 V HN 0.345 nan 8.190 nan 0.000 0.432 32 D N 1.598 121.984 120.400 -0.023 0.000 2.375 32 D HA 0.422 5.063 4.640 0.001 0.000 0.241 32 D C -2.843 173.486 176.300 0.049 0.000 1.361 32 D CA -1.513 52.499 54.000 0.020 0.000 0.995 32 D CB 2.612 43.444 40.800 0.054 0.000 1.312 32 D HN 0.177 nan 8.370 nan 0.000 0.576 36 G N 3.952 112.168 108.800 -0.974 0.000 2.199 36 G HA2 -0.188 3.773 3.960 0.001 0.000 0.254 36 G HA3 -0.188 3.773 3.960 0.001 0.000 0.254 36 G C -0.380 174.287 174.900 -0.389 0.000 0.982 36 G CA 0.100 44.732 45.100 -0.779 0.000 0.632 36 G HN 0.711 nan 8.290 nan 0.000 0.529 37 I N 2.005 122.403 120.570 -0.288 0.000 2.365 37 I HA 0.349 4.520 4.170 0.001 0.000 0.291 37 I C -1.886 174.111 176.117 -0.200 0.000 1.004 37 I CA -3.184 57.983 61.300 -0.222 0.000 1.311 37 I CB 0.652 38.535 38.000 -0.196 0.000 1.401 37 I HN -0.152 nan 8.210 nan 0.000 0.491 38 P HA 0.071 nan 4.420 nan 0.000 0.264 38 P C 0.675 177.896 177.300 -0.131 0.000 1.193 38 P CA -0.013 62.985 63.100 -0.170 0.000 0.763 38 P CB 0.693 32.270 31.700 -0.206 0.000 0.810 39 A N 4.536 127.295 122.820 -0.103 0.000 1.927 39 A HA -0.279 4.042 4.320 0.001 0.000 0.220 39 A C 1.894 179.440 177.584 -0.063 0.000 1.185 39 A CA 2.241 54.233 52.037 -0.074 0.000 0.639 39 A CB -1.245 17.722 19.000 -0.055 0.000 0.820 39 A HN 0.706 nan 8.150 nan 0.000 0.451 40 N N 0.280 118.945 118.700 -0.058 0.000 2.244 40 N HA -0.093 4.648 4.740 0.001 0.000 0.183 40 N C 1.325 176.811 175.510 -0.039 0.000 1.016 40 N CA 1.875 54.903 53.050 -0.037 0.000 0.866 40 N CB -1.014 37.463 38.487 -0.017 0.000 0.980 40 N HN 0.283 nan 8.380 nan 0.000 0.430 41 V N 1.065 120.938 119.914 -0.068 0.000 2.379 41 V HA -0.057 4.063 4.120 0.001 0.000 0.245 41 V C 2.592 178.624 176.094 -0.103 0.000 1.044 41 V CA 1.330 63.582 62.300 -0.079 0.000 1.036 41 V CB -0.555 31.197 31.823 -0.119 0.000 0.664 41 V HN 0.224 nan 8.190 nan 0.000 0.453 42 R N 0.733 121.166 120.500 -0.112 0.000 2.091 42 R HA -0.238 4.103 4.340 0.001 0.000 0.238 42 R C 2.365 178.623 176.300 -0.070 0.000 1.136 42 R CA 1.981 58.017 56.100 -0.107 0.000 0.959 42 R CB -0.405 29.841 30.300 -0.091 0.000 0.856 42 R HN 0.837 nan 8.270 nan 0.000 0.437 43 E N 0.558 120.728 120.200 -0.050 0.000 2.150 43 E HA -0.121 4.230 4.350 0.001 0.000 0.193 43 E C 1.796 178.385 176.600 -0.018 0.000 0.985 43 E CA 1.262 57.644 56.400 -0.029 0.000 0.814 43 E CB -0.159 29.528 29.700 -0.022 0.000 0.752 43 E HN 0.078 nan 8.360 nan 0.000 0.466 44 V N 1.673 121.578 119.914 -0.016 0.000 2.270 44 V HA -0.240 3.880 4.120 0.001 0.000 0.245 44 V C 2.501 178.601 176.094 0.010 0.000 1.043 44 V CA 1.757 64.061 62.300 0.007 0.000 1.014 44 V CB -0.443 31.396 31.823 0.026 0.000 0.645 44 V HN 0.307 nan 8.190 nan 0.000 0.447 45 I N 0.597 121.154 120.570 -0.021 0.000 2.208 45 I HA -0.284 3.887 4.170 0.001 0.000 0.245 45 I C 2.656 178.767 176.117 -0.010 0.000 1.097 45 I CA 1.602 62.888 61.300 -0.025 0.000 1.363 45 I CB -0.594 37.315 38.000 -0.153 0.000 1.051 45 I HN 0.306 nan 8.210 nan 0.000 0.413 46 A N 0.399 123.205 122.820 -0.024 0.000 1.933 46 A HA -0.226 4.095 4.320 0.001 0.000 0.218 46 A C 2.477 180.062 177.584 0.001 0.000 1.175 46 A CA 1.553 53.582 52.037 -0.013 0.000 0.628 46 A CB -0.550 18.439 19.000 -0.019 0.000 0.814 46 A HN 0.327 nan 8.150 nan 0.000 0.444 47 R N -1.463 119.041 120.500 0.006 0.000 2.075 47 R HA 0.002 4.342 4.340 0.001 0.000 0.226 47 R C 1.689 178.002 176.300 0.022 0.000 1.114 47 R CA 0.940 57.047 56.100 0.012 0.000 0.972 47 R CB 0.003 30.310 30.300 0.013 0.000 0.869 47 R HN 0.271 nan 8.270 nan 0.000 0.437 48 R N -0.868 119.652 120.500 0.033 0.000 2.373 48 R HA 0.202 4.543 4.340 0.001 0.000 0.221 48 R C 1.170 177.505 176.300 0.058 0.000 0.893 48 R CA 0.635 56.761 56.100 0.045 0.000 1.049 48 R CB 0.411 30.743 30.300 0.053 0.000 1.119 48 R HN 0.406 nan 8.270 nan 0.000 0.535 49 G N 2.838 111.676 108.800 0.064 0.000 2.660 49 G HA2 -0.464 3.497 3.960 0.001 0.000 0.321 49 G HA3 -0.464 3.497 3.960 0.001 0.000 0.321 49 G C 0.489 175.464 174.900 0.125 0.000 1.246 49 G CA 0.881 46.031 45.100 0.082 0.000 1.000 49 G HN 0.495 nan 8.290 nan 0.000 0.550 50 N N 1.777 120.532 118.700 0.093 0.000 2.383 50 N HA 0.510 5.251 4.740 0.001 0.000 0.192 50 N C 1.498 177.037 175.510 0.048 0.000 1.141 50 N CA 1.623 54.720 53.050 0.078 0.000 0.851 50 N CB 0.072 38.591 38.487 0.054 0.000 0.976 50 N HN 1.147 nan 8.380 nan 0.000 0.465 51 A N -0.600 122.253 122.820 0.054 0.000 2.275 51 A HA 0.179 4.499 4.320 0.001 0.000 0.212 51 A C 0.612 178.228 177.584 0.054 0.000 1.201 51 A CA -0.266 51.796 52.037 0.042 0.000 0.843 51 A CB -0.571 18.451 19.000 0.037 0.000 0.873 51 A HN 0.224 nan 8.150 nan 0.000 0.492 52 T N 2.036 116.641 114.554 0.085 0.000 2.871 52 T HA 0.139 4.489 4.350 0.001 0.000 0.296 52 T C 0.371 175.114 174.700 0.072 0.000 0.998 52 T CA 0.418 62.586 62.100 0.113 0.000 1.162 52 T CB 0.056 69.063 68.868 0.231 0.000 0.947 52 T HN 0.411 nan 8.240 nan 0.000 0.536 53 R N 2.245 122.787 120.500 0.070 0.000 2.308 53 R HA 0.538 4.879 4.340 0.001 0.000 0.305 53 R C -0.524 175.815 176.300 0.065 0.000 1.053 53 R CA -0.715 55.417 56.100 0.053 0.000 0.957 53 R CB 0.665 30.998 30.300 0.055 0.000 1.022 53 R HN 0.384 nan 8.270 nan 0.000 0.461 54 L N 2.843 124.084 121.223 0.031 0.000 2.381 54 L HA 0.495 4.835 4.340 0.001 0.000 0.268 54 L C -1.281 175.601 176.870 0.019 0.000 0.997 54 L CA -0.742 54.118 54.840 0.033 0.000 0.818 54 L CB 2.317 44.359 42.059 -0.028 0.000 1.310 54 L HN 0.301 nan 8.230 nan 0.000 0.416 55 V N 5.512 125.431 119.914 0.007 0.000 2.448 55 V HA 0.462 4.583 4.120 0.001 0.000 0.295 55 V C -0.253 175.743 176.094 -0.164 0.000 1.025 55 V CA -0.665 61.589 62.300 -0.076 0.000 0.859 55 V CB 1.664 33.416 31.823 -0.118 0.000 0.988 55 V HN 0.480 nan 8.190 nan 0.000 0.431 56 I N 5.839 126.324 120.570 -0.141 0.000 2.371 56 I HA 0.318 4.488 4.170 0.001 0.000 0.290 56 I C 0.028 175.938 176.117 -0.344 0.000 1.028 56 I CA -0.266 60.946 61.300 -0.147 0.000 1.345 56 I CB 1.008 39.013 38.000 0.008 0.000 1.407 56 I HN 0.396 nan 8.210 nan 0.000 0.501 57 L N 5.897 126.831 121.223 -0.482 0.000 2.264 57 L HA 0.700 5.041 4.340 0.001 0.000 0.289 57 L C 0.617 177.140 176.870 -0.579 0.000 1.044 57 L CA -0.422 53.890 54.840 -0.880 0.000 0.807 57 L CB 0.974 42.163 42.059 -1.451 0.000 1.192 57 L HN 0.867 nan 8.230 nan 0.000 0.425 58 G N 1.646 110.227 108.800 -0.364 0.000 2.785 58 G HA2 -0.145 3.815 3.960 0.001 0.000 0.686 58 G HA3 -0.145 3.815 3.960 0.001 0.000 0.686 58 G C 0.094 174.861 174.900 -0.222 0.000 1.155 58 G CA -0.221 44.842 45.100 -0.062 0.000 0.760 58 G HN 0.789 nan 8.290 nan 0.000 0.624 59 T N -2.579 111.841 114.554 -0.223 0.000 3.084 59 T HA 0.468 4.819 4.350 0.001 0.000 0.270 59 T C 0.939 175.610 174.700 -0.049 0.000 1.008 59 T CA 0.786 62.567 62.100 -0.532 0.000 0.900 59 T CB 0.503 69.005 68.868 -0.610 0.000 1.084 59 T HN 0.835 nan 8.240 nan 0.000 0.538 60 K N 0.605 121.038 120.400 0.057 0.000 2.564 60 K HA 0.622 4.942 4.320 0.001 0.000 0.205 60 K C 0.892 177.588 176.600 0.160 0.000 1.053 60 K CA -0.070 56.294 56.287 0.129 0.000 1.072 60 K CB 0.766 33.328 32.500 0.104 0.000 0.822 60 K HN 0.649 nan 8.250 nan 0.000 0.497 61 G N -0.706 108.202 108.800 0.180 0.000 3.247 61 G HA2 0.438 4.398 3.960 0.001 0.000 0.163 61 G HA3 0.438 4.398 3.960 0.001 0.000 0.163 61 G C -0.054 175.058 174.900 0.353 0.000 1.206 61 G CA -0.422 44.811 45.100 0.222 0.000 0.918 61 G HN 0.233 nan 8.290 nan 0.000 0.625 62 F N 1.820 121.752 119.950 -0.030 0.000 2.731 62 F HA 0.234 4.762 4.527 0.002 0.000 0.304 62 F C 2.414 178.165 175.800 -0.082 0.000 1.133 62 F CA -0.378 57.532 58.000 -0.150 0.000 1.380 62 F CB -0.202 38.453 39.000 -0.576 0.000 1.079 62 F HN 0.375 nan 8.300 nan 0.000 0.550 63 G N -0.037 108.913 108.800 0.251 0.000 2.470 63 G HA2 -0.152 3.809 3.960 0.001 0.000 0.220 63 G HA3 -0.152 3.809 3.960 0.001 0.000 0.220 63 G C 1.888 176.847 174.900 0.098 0.000 1.121 63 G CA 0.816 46.086 45.100 0.283 0.000 0.766 63 G HN 0.393 nan 8.290 nan 0.000 0.553 64 A N 0.207 122.990 122.820 -0.062 0.000 1.969 64 A HA -0.014 4.307 4.320 0.001 0.000 0.218 64 A C 2.090 179.420 177.584 -0.424 0.000 1.169 64 A CA 1.304 53.060 52.037 -0.468 0.000 0.635 64 A CB -0.530 18.296 19.000 -0.291 0.000 0.810 64 A HN 0.442 nan 8.150 nan 0.000 0.445 65 H N -1.156 117.838 119.070 -0.127 0.000 2.423 65 H HA 0.030 4.586 4.556 0.001 0.000 0.297 65 H C 1.084 176.495 175.328 0.138 0.000 1.075 65 H CA 0.996 57.029 56.048 -0.025 0.000 1.342 65 H CB -0.323 29.374 29.762 -0.107 0.000 1.395 65 H HN 0.457 nan 8.280 nan 0.000 0.530 69 V N 2.541 122.432 119.914 -0.037 0.000 2.752 69 V HA 0.221 4.342 4.120 0.001 0.000 0.306 69 V C 0.957 177.024 176.094 -0.046 0.000 1.099 69 V CA 0.675 62.974 62.300 -0.002 0.000 1.240 69 V CB 0.088 31.923 31.823 0.020 0.000 0.887 69 V HN 0.417 nan 8.190 nan 0.000 0.499 70 R N 4.745 125.196 120.500 -0.082 0.000 2.442 70 R HA 0.469 4.810 4.340 0.001 0.000 0.291 70 R C 0.259 176.412 176.300 -0.245 0.000 1.069 70 R CA 0.786 56.731 56.100 -0.258 0.000 1.022 70 R CB -0.805 29.279 30.300 -0.361 0.000 0.976 70 R HN 1.335 nan 8.270 nan 0.000 0.443 71 H N -2.789 116.290 119.070 0.015 0.000 4.746 71 H HA -0.035 4.522 4.556 0.001 0.000 0.248 71 H C 0.609 175.939 175.328 0.005 0.000 0.567 71 H CA 0.572 56.627 56.048 0.012 0.000 0.788 71 H CB -0.592 29.180 29.762 0.017 0.000 0.953 71 H HN 1.304 nan 8.280 nan 0.000 0.306 72 E N 1.958 122.247 120.200 0.148 0.000 2.502 72 E HA 0.094 4.445 4.350 0.001 0.000 0.261 72 E C 0.376 177.002 176.600 0.044 0.000 0.974 72 E CA 0.465 56.905 56.400 0.067 0.000 0.936 72 E CB 0.223 29.953 29.700 0.049 0.000 0.926 72 E HN 0.529 nan 8.360 nan 0.000 0.459 73 R N 2.519 123.021 120.500 0.004 0.000 2.734 73 R HA 0.186 4.526 4.340 0.001 0.000 0.266 73 R C -1.640 174.634 176.300 -0.044 0.000 1.044 73 R CA -0.707 55.370 56.100 -0.038 0.000 1.128 73 R CB 0.461 30.718 30.300 -0.072 0.000 1.010 73 R HN 0.557 nan 8.270 nan 0.000 0.461 74 P HA 0.153 nan 4.420 nan 0.000 0.259 74 P C -0.701 176.528 177.300 -0.119 0.000 1.530 74 P CA -0.109 62.968 63.100 -0.038 0.000 1.022 74 P CB 0.087 31.825 31.700 0.063 0.000 1.514 75 C N -3.497 115.684 119.300 -0.197 0.000 3.292 75 C HA 0.485 4.946 4.460 0.001 0.000 0.338 75 C C -0.777 174.138 174.990 -0.124 0.000 1.323 75 C CA -1.077 57.831 59.018 -0.185 0.000 1.232 75 C CB 1.367 28.849 27.740 -0.430 0.000 1.517 75 C HN 0.195 nan 8.230 nan 0.000 0.470 76 E N 1.185 121.347 120.200 -0.064 0.000 2.014 76 E HA 0.502 4.852 4.350 0.001 0.000 0.275 76 E C -0.660 175.920 176.600 -0.032 0.000 0.997 76 E CA -0.255 56.125 56.400 -0.033 0.000 0.804 76 E CB 0.989 30.687 29.700 -0.003 0.000 1.090 76 E HN 0.581 nan 8.360 nan 0.000 0.401 77 V N 7.540 127.431 119.914 -0.039 0.000 2.439 77 V HA 0.032 4.152 4.120 0.001 0.000 0.271 77 V C 1.293 177.395 176.094 0.014 0.000 1.040 77 V CA 0.177 62.467 62.300 -0.018 0.000 1.002 77 V CB 0.405 32.218 31.823 -0.016 0.000 1.000 77 V HN 0.706 nan 8.190 nan 0.000 0.477 78 I N 2.074 122.659 120.570 0.024 0.000 3.708 78 I HA 0.722 4.892 4.170 0.001 0.000 0.302 78 I C 0.747 176.891 176.117 0.044 0.000 1.255 78 I CA 0.508 61.829 61.300 0.036 0.000 1.362 78 I CB 0.368 38.393 38.000 0.040 0.000 1.100 78 I HN 0.589 nan 8.210 nan 0.000 0.434 79 A N 0.901 123.745 122.820 0.041 0.000 2.544 79 A HA 0.837 5.158 4.320 0.001 0.000 0.291 79 A C -1.659 175.935 177.584 0.017 0.000 1.055 79 A CA -0.166 51.895 52.037 0.041 0.000 0.651 79 A CB 0.530 19.548 19.000 0.029 0.000 1.296 79 A HN 0.445 nan 8.150 nan 0.000 0.431 80 A N -0.061 122.765 122.820 0.009 0.000 2.386 80 A HA 0.722 5.043 4.320 0.001 0.000 0.311 80 A C -0.973 176.541 177.584 -0.117 0.000 1.068 80 A CA -0.486 51.506 52.037 -0.075 0.000 0.743 80 A CB 1.412 20.372 19.000 -0.065 0.000 1.258 80 A HN 1.609 nan 8.150 nan 0.000 0.429 81 V N 2.498 122.289 119.914 -0.205 0.000 2.407 81 V HA 0.546 4.667 4.120 0.001 0.000 0.278 81 V C -0.693 175.383 176.094 -0.029 0.000 1.037 81 V CA -0.129 62.088 62.300 -0.138 0.000 0.900 81 V CB 1.358 33.041 31.823 -0.234 0.000 0.983 81 V HN 0.891 nan 8.190 nan 0.000 0.459 82 D N 2.965 123.386 120.400 0.036 0.000 2.333 82 D HA 0.169 4.810 4.640 0.001 0.000 0.225 82 D C 0.210 176.569 176.300 0.097 0.000 1.345 82 D CA -0.362 53.710 54.000 0.121 0.000 0.971 82 D CB 1.631 42.494 40.800 0.104 0.000 1.451 82 D HN 0.464 nan 8.370 nan 0.000 0.561 83 D N 1.865 122.232 120.400 -0.054 0.000 2.309 83 D HA -0.078 4.563 4.640 0.001 0.000 0.212 83 D C 1.315 177.493 176.300 -0.204 0.000 0.968 83 D CA 0.809 54.694 54.000 -0.191 0.000 0.882 83 D CB 0.221 40.723 40.800 -0.496 0.000 0.918 83 D HN 0.445 nan 8.370 nan 0.000 0.503 84 F N -0.203 119.831 119.950 0.141 0.000 2.765 84 F HA 0.262 4.789 4.527 0.001 0.000 0.302 84 F C 1.900 177.747 175.800 0.079 0.000 1.111 84 F CA 0.077 58.132 58.000 0.091 0.000 1.359 84 F CB 0.359 39.386 39.000 0.046 0.000 1.097 84 F HN -0.218 nan 8.300 nan 0.000 0.577 85 R N -1.490 119.143 120.500 0.221 0.000 2.541 85 R HA 0.067 4.408 4.340 0.001 0.000 0.332 85 R C 1.215 177.568 176.300 0.088 0.000 0.951 85 R CA 0.007 56.191 56.100 0.139 0.000 1.136 85 R CB -0.151 30.228 30.300 0.132 0.000 1.449 85 R HN 0.384 nan 8.270 nan 0.000 0.531 86 Y N -1.004 119.250 120.300 -0.077 0.000 2.639 86 Y HA 0.035 4.585 4.550 0.001 0.000 0.297 86 Y C 0.937 176.688 175.900 -0.249 0.000 1.151 86 Y CA 1.022 59.018 58.100 -0.173 0.000 1.335 86 Y CB -0.376 37.944 38.460 -0.234 0.000 0.994 86 Y HN 0.049 nan 8.280 nan 0.000 0.548 87 H N -0.629 118.261 119.070 -0.300 0.000 2.586 87 H HA 0.128 4.684 4.556 0.001 0.000 0.273 87 H C 2.114 177.385 175.328 -0.096 0.000 0.997 87 H CA 0.393 56.294 56.048 -0.245 0.000 1.177 87 H CB 0.370 29.926 29.762 -0.345 0.000 1.471 87 H HN 0.463 nan 8.280 nan 0.000 0.538 88 S N -0.527 115.196 115.700 0.039 0.000 2.447 88 S HA -0.020 4.451 4.470 0.001 0.000 0.233 88 S C 2.128 176.750 174.600 0.038 0.000 1.006 88 S CA 0.750 58.975 58.200 0.041 0.000 0.957 88 S CB -0.179 63.047 63.200 0.044 0.000 0.773 88 S HN 0.604 nan 8.310 nan 0.000 0.507 89 G N 0.692 109.517 108.800 0.042 0.000 2.176 89 G HA2 -0.257 3.704 3.960 0.001 0.000 0.253 89 G HA3 -0.257 3.704 3.960 0.001 0.000 0.253 89 G C -0.188 174.734 174.900 0.036 0.000 0.979 89 G CA 0.260 45.383 45.100 0.038 0.000 0.641 89 G HN 0.627 nan 8.290 nan 0.000 0.530 90 E N 0.018 120.242 120.200 0.040 0.000 2.366 90 E HA 0.592 4.943 4.350 0.001 0.000 0.266 90 E C 0.549 177.181 176.600 0.054 0.000 1.051 90 E CA -0.361 56.062 56.400 0.038 0.000 0.884 90 E CB 1.001 30.724 29.700 0.039 0.000 1.006 90 E HN 0.355 nan 8.360 nan 0.000 0.417 91 L N 2.137 123.385 121.223 0.042 0.000 2.344 91 L HA 0.356 4.696 4.340 0.001 0.000 0.272 91 L C -0.736 176.182 176.870 0.080 0.000 1.035 91 L CA -0.980 53.896 54.840 0.060 0.000 0.807 91 L CB 0.697 42.773 42.059 0.029 0.000 1.237 91 L HN 0.551 nan 8.230 nan 0.000 0.442 92 Y N 1.722 122.011 120.300 -0.019 0.000 2.478 92 Y HA 0.283 4.834 4.550 0.002 0.000 0.329 92 Y C -0.752 175.179 175.900 0.052 0.000 0.967 92 Y CA -0.940 57.139 58.100 -0.035 0.000 1.255 92 Y CB -0.022 38.465 38.460 0.046 0.000 1.103 92 Y HN 0.405 nan 8.280 nan 0.000 0.497 93 Y N 3.614 123.734 120.300 -0.299 0.000 3.168 93 Y HA -0.241 4.309 4.550 0.001 0.000 0.207 93 Y C 1.494 177.340 175.900 -0.090 0.000 1.280 93 Y CA 1.179 59.137 58.100 -0.236 0.000 1.235 93 Y CB -1.319 36.940 38.460 -0.335 0.000 1.370 93 Y HN 0.970 nan 8.280 nan 0.000 0.537 94 G N -1.348 107.461 108.800 0.015 0.000 2.184 94 G HA2 -0.331 3.630 3.960 0.001 0.000 0.264 94 G HA3 -0.331 3.630 3.960 0.001 0.000 0.264 94 G C 0.171 175.108 174.900 0.062 0.000 0.975 94 G CA 0.198 45.320 45.100 0.036 0.000 0.642 94 G HN 0.522 nan 8.290 nan 0.000 0.536 95 L N 2.157 123.440 121.223 0.100 0.000 2.334 95 L HA 0.475 4.816 4.340 0.001 0.000 0.277 95 L C -1.591 175.345 176.870 0.110 0.000 1.075 95 L CA -2.374 52.535 54.840 0.115 0.000 0.804 95 L CB 1.085 43.245 42.059 0.169 0.000 1.174 95 L HN -0.090 nan 8.230 nan 0.000 0.438 96 P HA 0.127 nan 4.420 nan 0.000 0.271 96 P C -0.720 176.628 177.300 0.081 0.000 1.218 96 P CA 0.103 63.248 63.100 0.075 0.000 0.780 96 P CB 0.754 32.490 31.700 0.060 0.000 0.901 97 I N 3.745 124.364 120.570 0.082 0.000 2.321 97 I HA 0.356 4.527 4.170 0.001 0.000 0.291 97 I C 0.849 177.013 176.117 0.078 0.000 0.998 97 I CA -0.770 60.574 61.300 0.072 0.000 1.227 97 I CB 0.606 38.657 38.000 0.084 0.000 1.368 97 I HN 0.269 nan 8.210 nan 0.000 0.466 98 I N 2.652 123.234 120.570 0.021 0.000 3.023 98 I HA 0.649 4.819 4.170 0.001 0.000 0.312 98 I C 0.287 176.265 176.117 -0.232 0.000 1.056 98 I CA -0.648 60.619 61.300 -0.055 0.000 1.033 98 I CB 2.107 40.086 38.000 -0.036 0.000 1.233 98 I HN 0.540 nan 8.210 nan 0.000 0.462 99 S N 1.439 116.770 115.700 -0.614 0.000 2.632 99 S HA 0.249 4.719 4.470 0.001 0.000 0.267 99 S C 0.842 175.306 174.600 -0.228 0.000 1.276 99 S CA -0.045 57.696 58.200 -0.766 0.000 0.998 99 S CB 1.220 63.620 63.200 -1.332 0.000 0.953 99 S HN 0.750 nan 8.310 nan 0.000 0.547 100 T N 1.207 115.720 114.554 -0.068 0.000 2.788 100 T HA -0.093 4.257 4.350 0.001 0.000 0.268 100 T C 1.036 175.790 174.700 0.090 0.000 1.044 100 T CA 1.634 63.839 62.100 0.176 0.000 1.139 100 T CB -0.598 68.452 68.868 0.303 0.000 0.867 100 T HN 0.652 nan 8.240 nan 0.000 0.454 101 D N 0.710 121.088 120.400 -0.037 0.000 2.144 101 D HA -0.070 4.570 4.640 0.001 0.000 0.199 101 D C 2.335 178.590 176.300 -0.074 0.000 0.984 101 D CA 0.858 54.819 54.000 -0.064 0.000 0.834 101 D CB -0.214 40.552 40.800 -0.057 0.000 0.955 101 D HN 0.130 nan 8.370 nan 0.000 0.465 102 R N 0.217 120.668 120.500 -0.081 0.000 2.092 102 R HA -0.098 4.242 4.340 0.001 0.000 0.231 102 R C 2.019 178.334 176.300 0.024 0.000 1.119 102 R CA 0.791 56.867 56.100 -0.040 0.000 0.970 102 R CB -1.042 29.216 30.300 -0.070 0.000 0.864 102 R HN 0.211 nan 8.270 nan 0.000 0.440 103 F N 1.117 121.007 119.950 -0.099 0.000 2.075 103 F HA -0.153 4.375 4.527 0.001 0.000 0.297 103 F C 2.045 177.781 175.800 -0.106 0.000 1.113 103 F CA 2.361 60.311 58.000 -0.083 0.000 1.218 103 F CB -1.220 37.735 39.000 -0.076 0.000 0.984 103 F HN 0.199 nan 8.300 nan 0.000 0.472 104 T N -1.340 112.864 114.554 -0.584 0.000 2.759 104 T HA -0.136 4.215 4.350 0.001 0.000 0.269 104 T C 1.975 176.405 174.700 -0.450 0.000 1.042 104 T CA 1.869 63.495 62.100 -0.791 0.000 1.140 104 T CB -1.386 66.949 68.868 -0.889 0.000 0.864 104 T HN 0.507 nan 8.240 nan 0.000 0.455 105 E N 1.810 121.877 120.200 -0.222 0.000 2.031 105 E HA 0.063 4.413 4.350 0.001 0.000 0.193 105 E C 2.274 178.920 176.600 0.076 0.000 0.994 105 E CA 1.371 57.749 56.400 -0.037 0.000 0.800 105 E CB -1.163 28.552 29.700 0.025 0.000 0.752 105 E HN 0.680 nan 8.360 nan 0.000 0.447 106 L N -0.019 121.219 121.223 0.026 0.000 2.079 106 L HA -0.129 4.212 4.340 0.001 0.000 0.210 106 L C 3.111 179.993 176.870 0.021 0.000 1.081 106 L CA 1.272 56.154 54.840 0.070 0.000 0.752 106 L CB -0.392 41.713 42.059 0.076 0.000 0.896 106 L HN 0.466 nan 8.230 nan 0.000 0.433 107 A N 0.145 122.883 122.820 -0.137 0.000 1.898 107 A HA -0.205 4.116 4.320 0.001 0.000 0.216 107 A C 2.435 179.921 177.584 -0.162 0.000 1.181 107 A CA 2.072 54.002 52.037 -0.178 0.000 0.620 107 A CB -1.014 17.733 19.000 -0.421 0.000 0.819 107 A HN 0.523 nan 8.150 nan 0.000 0.442 108 T N -2.791 111.616 114.554 -0.245 0.000 2.897 108 T HA -0.187 4.163 4.350 0.001 0.000 0.271 108 T C 1.206 175.655 174.700 -0.419 0.000 1.084 108 T CA 1.906 63.797 62.100 -0.347 0.000 1.123 108 T CB -0.584 67.978 68.868 -0.510 0.000 0.865 108 T HN 0.696 nan 8.240 nan 0.000 0.496 109 H N -0.106 118.936 119.070 -0.048 0.000 2.594 109 H HA 0.479 5.035 4.556 0.001 0.000 0.279 109 H C -0.476 174.844 175.328 -0.013 0.000 1.042 109 H CA -0.391 55.642 56.048 -0.026 0.000 1.177 109 H CB 0.504 30.253 29.762 -0.022 0.000 1.524 109 H HN 0.295 nan 8.280 nan 0.000 0.537 110 D N 0.060 120.497 120.400 0.062 0.000 2.788 110 D HA 0.139 4.779 4.640 0.001 0.000 0.247 110 D C 0.899 177.217 176.300 0.030 0.000 1.236 110 D CA -0.557 53.475 54.000 0.052 0.000 0.898 110 D CB 1.494 42.331 40.800 0.062 0.000 1.401 110 D HN 0.044 nan 8.370 nan 0.000 0.549 111 R N 2.377 122.895 120.500 0.030 0.000 2.082 111 R HA -0.154 4.187 4.340 0.001 0.000 0.234 111 R C -0.008 176.309 176.300 0.028 0.000 1.136 111 R CA 2.369 58.482 56.100 0.022 0.000 0.935 111 R CB 0.167 30.479 30.300 0.019 0.000 0.842 111 R HN 0.565 nan 8.270 nan 0.000 0.430 112 D N -2.350 118.075 120.400 0.040 0.000 1.839 112 D HA -0.146 4.495 4.640 0.001 0.000 0.189 112 D C -0.673 175.668 176.300 0.069 0.000 1.186 112 D CA 1.310 55.340 54.000 0.050 0.000 1.191 112 D CB -0.828 39.997 40.800 0.043 0.000 1.310 112 D HN 0.272 nan 8.370 nan 0.000 0.607 113 L N 1.730 122.998 121.223 0.074 0.000 2.287 113 L HA 0.620 4.961 4.340 0.001 0.000 0.287 113 L C -0.662 176.283 176.870 0.126 0.000 1.022 113 L CA -0.677 54.223 54.840 0.099 0.000 0.814 113 L CB 1.216 43.334 42.059 0.099 0.000 1.217 113 L HN -0.188 nan 8.230 nan 0.000 0.420 114 V N 4.145 124.146 119.914 0.145 0.000 2.630 114 V HA 0.724 4.845 4.120 0.001 0.000 0.305 114 V C 0.229 176.423 176.094 0.168 0.000 1.046 114 V CA -0.548 61.850 62.300 0.163 0.000 0.934 114 V CB 1.631 33.563 31.823 0.182 0.000 1.003 114 V HN 0.872 nan 8.190 nan 0.000 0.451 115 A N 3.913 126.842 122.820 0.180 0.000 2.303 115 A HA 0.766 5.087 4.320 0.001 0.000 0.320 115 A C -0.947 176.673 177.584 0.059 0.000 1.192 115 A CA -0.487 51.599 52.037 0.082 0.000 0.821 115 A CB 0.989 20.052 19.000 0.104 0.000 1.188 115 A HN 0.794 nan 8.150 nan 0.000 0.492 116 L N 2.939 124.157 121.223 -0.008 0.000 2.259 116 L HA 0.358 4.699 4.340 0.001 0.000 0.288 116 L C -0.152 176.689 176.870 -0.048 0.000 1.051 116 L CA -0.356 54.501 54.840 0.028 0.000 0.824 116 L CB 0.467 42.568 42.059 0.071 0.000 1.206 116 L HN 0.669 nan 8.230 nan 0.000 0.429 117 N N 2.493 121.189 118.700 -0.007 0.000 2.402 117 N HA 0.042 4.783 4.740 0.001 0.000 0.252 117 N C 0.976 176.497 175.510 0.019 0.000 1.118 117 N CA 0.613 53.639 53.050 -0.040 0.000 0.945 117 N CB 0.904 39.429 38.487 0.063 0.000 1.147 117 N HN 0.777 nan 8.380 nan 0.000 0.495 118 T N -0.499 114.053 114.554 -0.003 0.000 3.113 118 T HA 0.075 4.426 4.350 0.001 0.000 0.256 118 T C 0.924 175.613 174.700 -0.019 0.000 1.131 118 T CA -0.116 62.014 62.100 0.049 0.000 1.074 118 T CB -0.566 68.359 68.868 0.094 0.000 0.944 118 T HN 0.362 nan 8.240 nan 0.000 0.516 119 C N 2.817 122.129 119.300 0.019 0.000 2.637 119 C HA 0.444 4.905 4.460 0.001 0.000 0.418 119 C C 1.731 176.640 174.990 -0.134 0.000 1.319 119 C CA -0.901 58.124 59.018 0.011 0.000 1.949 119 C CB 0.137 27.988 27.740 0.185 0.000 2.639 119 C HN 0.467 nan 8.230 nan 0.000 0.594 120 R N 0.752 121.054 120.500 -0.330 0.000 2.344 120 R HA 0.155 4.496 4.340 0.001 0.000 0.209 120 R C -0.586 175.417 176.300 -0.495 0.000 0.886 120 R CA 0.411 56.182 56.100 -0.548 0.000 1.040 120 R CB -0.085 29.654 30.300 -0.935 0.000 1.114 120 R HN 0.690 nan 8.270 nan 0.000 0.547 121 Y N 1.104 121.416 120.300 0.020 0.000 2.387 121 Y HA 0.223 4.774 4.550 0.001 0.000 0.330 121 Y C 1.424 177.335 175.900 0.018 0.000 1.133 121 Y CA -1.547 56.559 58.100 0.011 0.000 1.152 121 Y CB 0.803 39.267 38.460 0.008 0.000 1.215 121 Y HN -0.221 nan 8.280 nan 0.000 0.466 122 D N 1.923 122.420 120.400 0.161 0.000 2.126 122 D HA -0.209 4.432 4.640 0.001 0.000 0.190 122 D C 2.120 178.471 176.300 0.085 0.000 1.001 122 D CA 2.036 56.081 54.000 0.075 0.000 0.841 122 D CB -0.528 40.281 40.800 0.015 0.000 0.949 122 D HN 0.901 nan 8.370 nan 0.000 0.446 123 G N 1.300 110.150 108.800 0.082 0.000 2.511 123 G HA2 -0.207 3.753 3.960 0.001 0.000 0.216 123 G HA3 -0.207 3.753 3.960 0.001 0.000 0.216 123 G C -0.759 174.197 174.900 0.093 0.000 1.218 123 G CA 1.081 46.220 45.100 0.065 0.000 0.788 123 G HN 0.320 nan 8.290 nan 0.000 0.560 124 P HA 0.016 nan 4.420 nan 0.000 0.216 124 P C 1.714 179.152 177.300 0.231 0.000 1.153 124 P CA 1.419 64.599 63.100 0.133 0.000 0.844 124 P CB -0.024 31.774 31.700 0.165 0.000 0.787 125 K N 0.277 120.796 120.400 0.198 0.000 2.002 125 K HA -0.144 4.177 4.320 0.001 0.000 0.209 125 K C 2.226 178.931 176.600 0.176 0.000 1.048 125 K CA 1.444 57.847 56.287 0.194 0.000 0.930 125 K CB -0.199 32.368 32.500 0.112 0.000 0.714 125 K HN -0.121 nan 8.250 nan 0.000 0.438 126 R N -0.460 120.120 120.500 0.133 0.000 2.096 126 R HA -0.143 4.197 4.340 0.001 0.000 0.235 126 R C 2.282 178.636 176.300 0.090 0.000 1.127 126 R CA 1.551 57.710 56.100 0.098 0.000 0.968 126 R CB -0.462 29.886 30.300 0.079 0.000 0.861 126 R HN 0.269 nan 8.270 nan 0.000 0.440 127 F N 0.890 120.823 119.950 -0.029 0.000 2.026 127 F HA -0.217 4.310 4.527 0.001 0.000 0.296 127 F C 1.737 177.503 175.800 -0.057 0.000 1.133 127 F CA 1.471 59.406 58.000 -0.108 0.000 1.188 127 F CB -0.487 38.358 39.000 -0.259 0.000 0.968 127 F HN -0.170 nan 8.300 nan 0.000 0.476 128 F N 1.203 121.044 119.950 -0.182 0.000 2.171 128 F HA -0.169 4.359 4.527 0.001 0.000 0.300 128 F C 2.392 178.053 175.800 -0.231 0.000 1.090 128 F CA 1.626 59.465 58.000 -0.268 0.000 1.293 128 F CB -1.127 37.853 39.000 -0.033 0.000 1.013 128 F HN 0.051 nan 8.300 nan 0.000 0.486 129 D N -0.487 119.942 120.400 0.047 0.000 2.117 129 D HA -0.181 4.460 4.640 0.001 0.000 0.197 129 D C 2.209 178.422 176.300 -0.145 0.000 0.987 129 D CA 1.100 55.072 54.000 -0.047 0.000 0.829 129 D CB -0.373 40.481 40.800 0.089 0.000 0.961 129 D HN 0.212 nan 8.370 nan 0.000 0.460 130 Q N 0.253 119.983 119.800 -0.116 0.000 2.083 130 Q HA -0.055 4.286 4.340 0.001 0.000 0.198 130 Q C 2.049 177.950 176.000 -0.165 0.000 0.969 130 Q CA 0.670 56.399 55.803 -0.123 0.000 0.838 130 Q CB -0.266 28.419 28.738 -0.088 0.000 0.900 130 Q HN 0.151 nan 8.270 nan 0.000 0.436 131 I N 0.066 120.489 120.570 -0.245 0.000 2.151 131 I HA -0.369 3.802 4.170 0.001 0.000 0.243 131 I C 2.264 178.384 176.117 0.006 0.000 1.080 131 I CA 1.072 62.294 61.300 -0.130 0.000 1.339 131 I CB -1.465 36.424 38.000 -0.185 0.000 1.039 131 I HN 0.328 nan 8.210 nan 0.000 0.409 132 C N 0.370 119.606 119.300 -0.106 0.000 2.432 132 C HA -0.133 4.328 4.460 0.001 0.000 0.277 132 C C 2.927 177.824 174.990 -0.154 0.000 1.249 132 C CA 0.497 59.408 59.018 -0.178 0.000 1.725 132 C CB -1.072 26.313 27.740 -0.591 0.000 2.028 132 C HN 0.451 nan 8.230 nan 0.000 0.477 133 R N 0.304 120.692 120.500 -0.186 0.000 2.073 133 R HA -0.128 4.213 4.340 0.001 0.000 0.234 133 R C 2.212 178.466 176.300 -0.077 0.000 1.134 133 R CA 1.909 57.976 56.100 -0.056 0.000 0.952 133 R CB -0.980 29.307 30.300 -0.022 0.000 0.850 133 R HN 0.515 nan 8.270 nan 0.000 0.433 134 T N 0.117 114.591 114.554 -0.133 0.000 2.665 134 T HA -0.170 4.181 4.350 0.001 0.000 0.268 134 T C 1.081 175.566 174.700 -0.358 0.000 1.035 134 T CA 1.704 63.648 62.100 -0.260 0.000 1.151 134 T CB -0.264 68.388 68.868 -0.359 0.000 0.862 134 T HN 0.463 nan 8.240 nan 0.000 0.438 135 H N -0.348 118.656 119.070 -0.110 0.000 2.526 135 H HA 0.430 4.987 4.556 0.001 0.000 0.274 135 H C 1.492 176.761 175.328 -0.098 0.000 0.999 135 H CA 0.128 56.102 56.048 -0.122 0.000 1.157 135 H CB -0.156 29.496 29.762 -0.182 0.000 1.407 135 H HN 0.418 nan 8.280 nan 0.000 0.568 136 G N 1.349 110.154 108.800 0.009 0.000 2.305 136 G HA2 -0.301 3.659 3.960 0.001 0.000 0.287 136 G HA3 -0.301 3.659 3.960 0.001 0.000 0.287 136 G C -0.055 174.871 174.900 0.043 0.000 1.036 136 G CA 0.143 45.256 45.100 0.022 0.000 0.887 136 G HN 0.418 nan 8.290 nan 0.000 0.505 137 I N 0.901 121.507 120.570 0.060 0.000 2.315 137 I HA 0.251 4.422 4.170 0.001 0.000 0.291 137 I C -1.896 174.346 176.117 0.210 0.000 1.006 137 I CA -2.486 58.862 61.300 0.081 0.000 1.265 137 I CB 1.463 39.484 38.000 0.034 0.000 1.387 137 I HN -0.125 nan 8.210 nan 0.000 0.475 138 P HA 0.024 nan 4.420 nan 0.000 0.263 138 P C -1.022 176.419 177.300 0.234 0.000 1.195 138 P CA 0.537 63.734 63.100 0.161 0.000 0.762 138 P CB 0.244 31.989 31.700 0.076 0.000 0.799 139 H N 2.302 121.397 119.070 0.041 0.000 2.980 139 H HA 0.724 5.280 4.556 0.001 0.000 0.367 139 H C -1.508 173.829 175.328 0.016 0.000 1.206 139 H CA -1.128 54.947 56.048 0.044 0.000 1.126 139 H CB 1.041 30.840 29.762 0.061 0.000 1.838 139 H HN 0.192 nan 8.280 nan 0.000 0.552 140 L N 1.966 123.218 121.223 0.048 0.000 2.434 140 L HA 0.286 4.627 4.340 0.001 0.000 0.260 140 L C -0.328 176.568 176.870 0.043 0.000 0.983 140 L CA -1.095 53.735 54.840 -0.017 0.000 0.820 140 L CB 2.366 44.424 42.059 -0.001 0.000 1.361 140 L HN 0.765 nan 8.230 nan 0.000 0.410 141 N N -0.089 118.624 118.700 0.022 0.000 2.413 141 N HA 0.177 4.918 4.740 0.001 0.000 0.266 141 N C 0.499 176.063 175.510 0.090 0.000 1.238 141 N CA -0.475 52.612 53.050 0.062 0.000 0.972 141 N CB 0.466 38.980 38.487 0.045 0.000 1.210 141 N HN 0.567 nan 8.380 nan 0.000 0.547 142 F N 0.018 119.972 119.950 0.006 0.000 2.126 142 F HA -0.091 4.437 4.527 0.001 0.000 0.299 142 F C 1.816 177.659 175.800 0.071 0.000 1.096 142 F CA 1.670 59.715 58.000 0.076 0.000 1.255 142 F CB -0.038 39.050 39.000 0.147 0.000 0.997 142 F HN 0.557 nan 8.300 nan 0.000 0.479 143 E N 0.123 120.377 120.200 0.090 0.000 2.106 143 E HA -0.215 4.136 4.350 0.001 0.000 0.192 143 E C 2.181 178.693 176.600 -0.147 0.000 0.984 143 E CA 1.481 57.853 56.400 -0.047 0.000 0.806 143 E CB -0.364 29.287 29.700 -0.082 0.000 0.750 143 E HN 0.555 nan 8.360 nan 0.000 0.458 144 Q N -0.165 119.561 119.800 -0.122 0.000 2.084 144 Q HA -0.104 4.237 4.340 0.001 0.000 0.202 144 Q C 2.223 178.135 176.000 -0.146 0.000 0.978 144 Q CA 1.337 57.055 55.803 -0.142 0.000 0.844 144 Q CB -0.222 28.439 28.738 -0.129 0.000 0.898 144 Q HN 0.304 nan 8.270 nan 0.000 0.426 145 A N 0.524 123.270 122.820 -0.123 0.000 1.883 145 A HA -0.174 4.147 4.320 0.001 0.000 0.217 145 A C 2.367 179.918 177.584 -0.055 0.000 1.186 145 A CA 1.572 53.593 52.037 -0.027 0.000 0.624 145 A CB -0.918 18.052 19.000 -0.049 0.000 0.822 145 A HN 0.219 nan 8.150 nan 0.000 0.444 146 V N 0.024 119.777 119.914 -0.268 0.000 2.324 146 V HA -0.294 3.826 4.120 0.001 0.000 0.250 146 V C 2.698 178.752 176.094 -0.068 0.000 1.060 146 V CA 2.510 64.696 62.300 -0.190 0.000 1.042 146 V CB -0.803 30.874 31.823 -0.242 0.000 0.650 146 V HN 0.689 nan 8.190 nan 0.000 0.450 147 R N -0.049 120.394 120.500 -0.096 0.000 2.073 147 R HA -0.046 4.295 4.340 0.001 0.000 0.229 147 R C 2.256 178.491 176.300 -0.108 0.000 1.120 147 R CA 1.371 57.425 56.100 -0.076 0.000 0.967 147 R CB -0.376 29.871 30.300 -0.089 0.000 0.862 147 R HN 0.468 nan 8.270 nan 0.000 0.436 148 A N -0.150 122.550 122.820 -0.199 0.000 1.969 148 A HA -0.061 4.259 4.320 0.001 0.000 0.218 148 A C 1.281 178.586 177.584 -0.466 0.000 1.169 148 A CA 0.866 52.680 52.037 -0.372 0.000 0.635 148 A CB -0.225 18.445 19.000 -0.549 0.000 0.810 148 A HN 0.369 nan 8.150 nan 0.000 0.445 149 F N -0.495 119.424 119.950 -0.052 0.000 2.664 149 F HA 0.373 4.900 4.527 0.001 0.000 0.303 149 F C 1.625 177.414 175.800 -0.019 0.000 1.092 149 F CA -0.083 57.897 58.000 -0.034 0.000 1.305 149 F CB -0.124 38.852 39.000 -0.040 0.000 1.054 149 F HN 0.281 nan 8.300 nan 0.000 0.565 150 G N 1.415 110.269 108.800 0.090 0.000 2.338 150 G HA2 -0.295 3.666 3.960 0.001 0.000 0.296 150 G HA3 -0.295 3.666 3.960 0.001 0.000 0.296 150 G C 0.611 175.565 174.900 0.090 0.000 1.040 150 G CA 0.248 45.391 45.100 0.072 0.000 1.004 150 G HN 0.470 nan 8.290 nan 0.000 0.509 151 L N -0.795 120.480 121.223 0.087 0.000 2.653 151 L HA 0.202 4.543 4.340 0.001 0.000 0.231 151 L C 1.323 178.250 176.870 0.095 0.000 1.153 151 L CA -0.285 54.608 54.840 0.087 0.000 0.933 151 L CB 0.062 42.159 42.059 0.064 0.000 1.175 151 L HN 0.287 nan 8.230 nan 0.000 0.473 152 Q N 0.429 120.286 119.800 0.096 0.000 2.286 152 Q HA 0.256 4.597 4.340 0.001 0.000 0.290 152 Q C 1.336 177.421 176.000 0.141 0.000 1.049 152 Q CA 1.285 57.165 55.803 0.128 0.000 0.923 152 Q CB 0.422 29.233 28.738 0.122 0.000 1.183 152 Q HN 0.368 nan 8.270 nan 0.000 0.383 153 G N 2.720 111.626 108.800 0.176 0.000 2.253 153 G HA2 -0.374 3.587 3.960 0.001 0.000 0.251 153 G HA3 -0.374 3.587 3.960 0.001 0.000 0.251 153 G C 0.624 175.611 174.900 0.144 0.000 0.998 153 G CA 0.419 45.617 45.100 0.162 0.000 0.621 153 G HN 0.671 nan 8.290 nan 0.000 0.524 154 N N -0.247 118.535 118.700 0.137 0.000 2.230 154 N HA 0.420 5.161 4.740 0.001 0.000 0.202 154 N C 0.353 175.926 175.510 0.104 0.000 1.119 154 N CA 0.619 53.735 53.050 0.109 0.000 0.851 154 N CB 1.312 39.871 38.487 0.120 0.000 0.990 154 N HN 0.813 nan 8.380 nan 0.000 0.497 155 V N -3.056 116.944 119.914 0.143 0.000 3.019 155 V HA 0.430 4.550 4.120 0.001 0.000 0.317 155 V C -0.075 176.123 176.094 0.172 0.000 1.094 155 V CA -1.301 61.099 62.300 0.168 0.000 1.000 155 V CB 1.563 33.518 31.823 0.221 0.000 1.060 155 V HN -0.121 nan 8.190 nan 0.000 0.443 156 D N 0.539 121.025 120.400 0.143 0.000 2.583 156 D HA -0.097 4.544 4.640 0.001 0.000 0.232 156 D C 0.588 177.016 176.300 0.214 0.000 1.128 156 D CA 0.485 54.569 54.000 0.140 0.000 0.859 156 D CB 0.507 41.340 40.800 0.056 0.000 1.169 156 D HN 0.775 nan 8.370 nan 0.000 0.481 157 Y N 4.044 124.445 120.300 0.170 0.000 2.256 157 Y HA -0.299 4.252 4.550 0.001 0.000 0.288 157 Y C 2.485 178.627 175.900 0.403 0.000 1.155 157 Y CA 2.367 60.642 58.100 0.291 0.000 1.203 157 Y CB -0.171 38.445 38.460 0.260 0.000 0.980 157 Y HN 0.475 nan 8.280 nan 0.000 0.530 158 R N -0.077 120.562 120.500 0.231 0.000 2.189 158 R HA -0.032 4.309 4.340 0.001 0.000 0.223 158 R C 1.436 177.801 176.300 0.109 0.000 1.092 158 R CA 1.245 57.479 56.100 0.224 0.000 0.989 158 R CB -2.242 28.224 30.300 0.276 0.000 0.876 158 R HN 0.559 nan 8.270 nan 0.000 0.457 159 V N -3.117 116.804 119.914 0.012 0.000 3.176 159 V HA 0.393 4.514 4.120 0.001 0.000 0.332 159 V C -0.086 176.075 176.094 0.112 0.000 1.414 159 V CA -0.681 61.646 62.300 0.045 0.000 1.133 159 V CB 0.071 31.791 31.823 -0.172 0.000 1.088 159 V HN 0.229 nan 8.190 nan 0.000 0.473 160 D N 1.399 121.792 120.400 -0.011 0.000 2.387 160 D HA 0.215 4.856 4.640 0.001 0.000 0.251 160 D C -0.550 175.700 176.300 -0.082 0.000 1.141 160 D CA -0.070 53.972 54.000 0.071 0.000 0.987 160 D CB 1.704 42.680 40.800 0.293 0.000 1.116 160 D HN 0.347 nan 8.370 nan 0.000 0.491 161 D N 1.395 121.846 120.400 0.085 0.000 2.336 161 D HA 0.030 4.671 4.640 0.001 0.000 0.249 161 D C 0.009 176.493 176.300 0.306 0.000 1.213 161 D CA -0.308 53.743 54.000 0.086 0.000 0.870 161 D CB 0.125 40.965 40.800 0.066 0.000 1.076 161 D HN 0.300 nan 8.370 nan 0.000 0.483 162 W N 3.146 124.458 121.300 0.021 0.000 3.330 162 W HA 0.303 4.963 4.660 0.001 0.000 0.348 162 W C 1.782 178.303 176.519 0.003 0.000 1.205 162 W CA -0.618 56.710 57.345 -0.029 0.000 1.841 162 W CB -0.642 28.671 29.460 -0.246 0.000 1.084 162 W HN 0.530 nan 8.180 nan 0.000 0.665 163 G N 1.487 110.417 108.800 0.216 0.000 2.514 163 G HA2 -0.276 3.685 3.960 0.001 0.000 0.217 163 G HA3 -0.276 3.685 3.960 0.001 0.000 0.217 163 G C 1.802 176.774 174.900 0.119 0.000 1.198 163 G CA 2.132 47.315 45.100 0.139 0.000 0.780 163 G HN 0.211 nan 8.290 nan 0.000 0.565 164 A N 0.814 123.700 122.820 0.110 0.000 1.940 164 A HA -0.086 4.234 4.320 0.001 0.000 0.219 164 A C 2.116 179.755 177.584 0.092 0.000 1.176 164 A CA 2.284 54.370 52.037 0.083 0.000 0.631 164 A CB -0.519 18.526 19.000 0.076 0.000 0.814 164 A HN 0.317 nan 8.150 nan 0.000 0.446 165 D N -0.011 120.457 120.400 0.114 0.000 2.123 165 D HA -0.129 4.512 4.640 0.001 0.000 0.196 165 D C 1.780 178.185 176.300 0.175 0.000 0.992 165 D CA 1.247 55.311 54.000 0.107 0.000 0.833 165 D CB -0.338 40.502 40.800 0.066 0.000 0.954 165 D HN 0.547 nan 8.370 nan 0.000 0.455 166 I N 0.158 120.857 120.570 0.214 0.000 2.252 166 I HA -0.202 3.969 4.170 0.001 0.000 0.245 166 I C 2.280 178.553 176.117 0.259 0.000 1.102 166 I CA 0.503 61.994 61.300 0.317 0.000 1.385 166 I CB -0.084 38.035 38.000 0.198 0.000 1.064 166 I HN -0.109 nan 8.210 nan 0.000 0.414 167 V N 0.654 120.641 119.914 0.123 0.000 2.594 167 V HA -0.234 3.886 4.120 0.001 0.000 0.253 167 V C 2.412 178.542 176.094 0.060 0.000 1.069 167 V CA 1.676 64.001 62.300 0.043 0.000 1.082 167 V CB -0.783 31.035 31.823 -0.009 0.000 0.680 167 V HN 0.369 nan 8.190 nan 0.000 0.469 168 R N -0.016 120.534 120.500 0.082 0.000 2.276 168 R HA 0.029 4.370 4.340 0.001 0.000 0.203 168 R C 0.729 177.068 176.300 0.064 0.000 1.017 168 R CA 0.857 56.992 56.100 0.057 0.000 1.010 168 R CB -0.056 30.269 30.300 0.042 0.000 0.900 168 R HN 0.584 nan 8.270 nan 0.000 0.469 169 N N -0.290 118.487 118.700 0.128 0.000 2.416 169 N HA 0.103 4.844 4.740 0.001 0.000 0.267 169 N C 0.574 176.213 175.510 0.214 0.000 1.294 169 N CA -0.228 52.869 53.050 0.079 0.000 0.891 169 N CB 0.697 39.149 38.487 -0.058 0.000 1.238 169 N HN -0.063 nan 8.380 nan 0.000 0.508 170 I N 1.272 121.996 120.570 0.257 0.000 2.091 170 I HA -0.152 4.018 4.170 0.001 0.000 0.239 170 I C -0.562 175.743 176.117 0.314 0.000 1.061 170 I CA 1.576 63.090 61.300 0.356 0.000 1.317 170 I CB -1.976 36.105 38.000 0.134 0.000 1.031 170 I HN 0.076 nan 8.210 nan 0.000 0.401 171 P HA -0.111 nan 4.420 nan 0.000 0.216 171 P C 1.680 179.037 177.300 0.096 0.000 1.150 171 P CA 2.018 65.194 63.100 0.128 0.000 0.837 171 P CB -0.041 31.700 31.700 0.068 0.000 0.786 172 A N -1.418 121.413 122.820 0.018 0.000 1.933 172 A HA -0.185 4.136 4.320 0.001 0.000 0.218 172 A C 1.905 179.436 177.584 -0.088 0.000 1.175 172 A CA 1.427 53.411 52.037 -0.087 0.000 0.628 172 A CB -1.761 17.110 19.000 -0.216 0.000 0.814 172 A HN 0.069 nan 8.150 nan 0.000 0.444 173 F N 0.259 120.258 119.950 0.083 0.000 2.186 173 F HA -0.151 4.377 4.527 0.001 0.000 0.299 173 F C 2.701 178.492 175.800 -0.014 0.000 1.090 173 F CA 1.604 59.617 58.000 0.021 0.000 1.307 173 F CB -0.600 38.429 39.000 0.048 0.000 1.019 173 F HN 0.308 nan 8.300 nan 0.000 0.489 174 Q N -0.676 119.293 119.800 0.281 0.000 2.124 174 Q HA -0.151 4.190 4.340 0.001 0.000 0.202 174 Q C 2.125 178.200 176.000 0.124 0.000 0.977 174 Q CA 1.965 57.907 55.803 0.231 0.000 0.850 174 Q CB -0.571 28.327 28.738 0.267 0.000 0.901 174 Q HN 0.338 nan 8.270 nan 0.000 0.429 175 T N 1.580 116.188 114.554 0.090 0.000 2.746 175 T HA -0.136 4.214 4.350 0.001 0.000 0.267 175 T C 1.748 176.465 174.700 0.027 0.000 1.039 175 T CA 0.922 63.051 62.100 0.048 0.000 1.142 175 T CB -0.252 68.632 68.868 0.027 0.000 0.866 175 T HN 0.115 nan 8.240 nan 0.000 0.444 176 L N 1.723 122.958 121.223 0.019 0.000 2.012 176 L HA 0.011 4.351 4.340 0.001 0.000 0.210 176 L C 2.644 179.494 176.870 -0.033 0.000 1.073 176 L CA 2.007 56.849 54.840 0.003 0.000 0.748 176 L CB -1.230 40.849 42.059 0.033 0.000 0.891 176 L HN 0.235 nan 8.230 nan 0.000 0.431 177 A N -1.002 121.772 122.820 -0.077 0.000 1.917 177 A HA -0.322 3.999 4.320 0.001 0.000 0.219 177 A C 2.168 179.737 177.584 -0.026 0.000 1.182 177 A CA 2.170 54.123 52.037 -0.140 0.000 0.633 177 A CB -0.704 18.175 19.000 -0.202 0.000 0.819 177 A HN 0.700 nan 8.150 nan 0.000 0.448 178 Q N -1.705 118.108 119.800 0.021 0.000 2.224 178 Q HA -0.125 4.215 4.340 0.001 0.000 0.203 178 Q C 2.177 178.190 176.000 0.020 0.000 0.970 178 Q CA 1.356 57.181 55.803 0.036 0.000 0.865 178 Q CB -0.085 28.682 28.738 0.048 0.000 0.922 178 Q HN 0.495 nan 8.270 nan 0.000 0.445 179 R N 0.487 120.991 120.500 0.007 0.000 2.240 179 R HA 0.103 4.443 4.340 0.001 0.000 0.203 179 R C -0.011 176.282 176.300 -0.012 0.000 1.011 179 R CA 0.255 56.357 56.100 0.003 0.000 1.007 179 R CB -0.046 30.259 30.300 0.007 0.000 0.911 179 R HN 0.104 nan 8.270 nan 0.000 0.468 180 L N 0.558 121.767 121.223 -0.022 0.000 2.453 180 L HA 0.130 4.470 4.340 0.001 0.000 0.272 180 L C 1.333 178.204 176.870 0.003 0.000 1.182 180 L CA 0.083 54.906 54.840 -0.029 0.000 0.858 180 L CB 1.077 43.111 42.059 -0.043 0.000 1.120 180 L HN 0.158 nan 8.230 nan 0.000 0.474 181 A N 2.368 125.196 122.820 0.014 0.000 2.066 181 A HA -0.044 4.277 4.320 0.001 0.000 0.218 181 A C 0.515 178.144 177.584 0.074 0.000 1.157 181 A CA 0.898 52.963 52.037 0.047 0.000 0.670 181 A CB -0.346 18.694 19.000 0.067 0.000 0.804 181 A HN 0.839 nan 8.150 nan 0.000 0.453 182 D N -2.280 118.168 120.400 0.079 0.000 2.601 182 D HA 0.188 4.829 4.640 0.001 0.000 0.230 182 D C -0.953 175.403 176.300 0.094 0.000 1.106 182 D CA -0.534 53.522 54.000 0.093 0.000 0.873 182 D CB 0.793 41.661 40.800 0.114 0.000 1.515 182 D HN -0.094 nan 8.370 nan 0.000 0.468 183 D N 0.083 120.548 120.400 0.108 0.000 2.144 183 D HA -0.190 4.450 4.640 0.001 0.000 0.199 183 D C 1.346 177.755 176.300 0.181 0.000 0.984 183 D CA 1.178 55.252 54.000 0.123 0.000 0.834 183 D CB -0.174 40.691 40.800 0.108 0.000 0.955 183 D HN 0.437 nan 8.370 nan 0.000 0.465 184 Y N 1.844 122.164 120.300 0.034 0.000 2.293 184 Y HA -0.131 4.420 4.550 0.001 0.000 0.291 184 Y C 2.353 178.272 175.900 0.031 0.000 1.137 184 Y CA 0.672 58.791 58.100 0.032 0.000 1.202 184 Y CB -0.317 38.155 38.460 0.020 0.000 0.990 184 Y HN -0.170 nan 8.280 nan 0.000 0.537 185 S N -0.833 114.859 115.700 -0.013 0.000 2.368 185 S HA -0.153 4.318 4.470 0.001 0.000 0.224 185 S C 2.230 176.782 174.600 -0.080 0.000 1.029 185 S CA 1.350 59.495 58.200 -0.091 0.000 0.988 185 S CB -0.594 62.589 63.200 -0.028 0.000 0.838 185 S HN 0.296 nan 8.310 nan 0.000 0.462 186 V N 1.756 121.656 119.914 -0.023 0.000 2.295 186 V HA -0.214 3.907 4.120 0.001 0.000 0.246 186 V C 2.559 178.657 176.094 0.007 0.000 1.049 186 V CA 1.846 64.114 62.300 -0.054 0.000 1.024 186 V CB -0.684 31.168 31.823 0.048 0.000 0.648 186 V HN 0.489 nan 8.190 nan 0.000 0.447 187 Q N -0.367 119.501 119.800 0.114 0.000 2.096 187 Q HA -0.231 4.110 4.340 0.001 0.000 0.204 187 Q C 2.294 178.342 176.000 0.081 0.000 0.982 187 Q CA 2.339 58.244 55.803 0.170 0.000 0.850 187 Q CB -0.194 28.685 28.738 0.235 0.000 0.901 187 Q HN 0.685 nan 8.270 nan 0.000 0.422 188 T N 1.564 116.099 114.554 -0.031 0.000 2.708 188 T HA -0.177 4.173 4.350 0.001 0.000 0.266 188 T C 1.739 176.386 174.700 -0.087 0.000 1.037 188 T CA 1.252 63.299 62.100 -0.089 0.000 1.146 188 T CB -0.363 68.376 68.868 -0.215 0.000 0.865 188 T HN 0.237 nan 8.240 nan 0.000 0.435 189 L N 0.381 121.511 121.223 -0.155 0.000 1.990 189 L HA -0.136 4.205 4.340 0.001 0.000 0.213 189 L C 2.134 178.822 176.870 -0.304 0.000 1.072 189 L CA 1.887 56.575 54.840 -0.254 0.000 0.755 189 L CB -0.985 40.827 42.059 -0.412 0.000 0.889 189 L HN 0.249 nan 8.230 nan 0.000 0.432 190 Y N -0.110 120.067 120.300 -0.206 0.000 2.274 190 Y HA -0.138 4.413 4.550 0.001 0.000 0.290 190 Y C 2.547 178.324 175.900 -0.205 0.000 1.145 190 Y CA 1.099 59.036 58.100 -0.271 0.000 1.203 190 Y CB -1.283 37.065 38.460 -0.187 0.000 0.984 190 Y HN 0.341 nan 8.280 nan 0.000 0.533 191 A N -0.476 122.354 122.820 0.018 0.000 1.902 191 A HA -0.130 4.191 4.320 0.001 0.000 0.217 191 A C 2.439 179.891 177.584 -0.221 0.000 1.181 191 A CA 1.914 53.941 52.037 -0.018 0.000 0.623 191 A CB -1.152 17.877 19.000 0.048 0.000 0.818 191 A HN 0.231 nan 8.150 nan 0.000 0.443 192 V N 0.246 120.032 119.914 -0.214 0.000 2.343 192 V HA -0.242 3.878 4.120 0.001 0.000 0.247 192 V C 2.553 178.579 176.094 -0.113 0.000 1.051 192 V CA 1.924 64.076 62.300 -0.246 0.000 1.036 192 V CB -0.772 31.051 31.823 0.001 0.000 0.654 192 V HN 0.564 nan 8.190 nan 0.000 0.451 193 L N 0.099 121.257 121.223 -0.108 0.000 2.093 193 L HA -0.131 4.209 4.340 0.001 0.000 0.208 193 L C 2.427 179.270 176.870 -0.045 0.000 1.085 193 L CA 1.303 56.108 54.840 -0.058 0.000 0.755 193 L CB -0.785 41.116 42.059 -0.263 0.000 0.904 193 L HN 0.364 nan 8.230 nan 0.000 0.435 194 N N 0.207 118.780 118.700 -0.211 0.000 2.188 194 N HA -0.209 4.531 4.740 0.001 0.000 0.184 194 N C 1.681 176.879 175.510 -0.519 0.000 1.018 194 N CA 1.183 53.930 53.050 -0.504 0.000 0.858 194 N CB -0.465 37.333 38.487 -1.149 0.000 0.989 194 N HN 0.231 nan 8.380 nan 0.000 0.426 195 F N 2.296 121.890 119.950 -0.594 0.000 2.065 195 F HA -0.236 4.292 4.527 0.001 0.000 0.298 195 F C 2.365 177.936 175.800 -0.381 0.000 1.112 195 F CA 1.733 59.417 58.000 -0.528 0.000 1.212 195 F CB -0.529 37.869 39.000 -1.003 0.000 0.975 195 F HN 0.161 nan 8.300 nan 0.000 0.476 196 H N 0.430 119.227 119.070 -0.455 0.000 2.387 196 H HA -0.089 4.468 4.556 0.001 0.000 0.299 196 H C 2.480 177.661 175.328 -0.245 0.000 1.090 196 H CA 1.955 57.762 56.048 -0.402 0.000 1.332 196 H CB -0.700 29.038 29.762 -0.039 0.000 1.386 196 H HN 0.356 nan 8.280 nan 0.000 0.516 197 L N 0.410 121.610 121.223 -0.038 0.000 2.109 197 L HA -0.105 4.236 4.340 0.001 0.000 0.207 197 L C 2.477 179.406 176.870 0.098 0.000 1.086 197 L CA 1.744 56.606 54.840 0.036 0.000 0.760 197 L CB -0.250 41.826 42.059 0.029 0.000 0.910 197 L HN 0.378 nan 8.230 nan 0.000 0.437 198 T N -6.379 108.150 114.554 -0.042 0.000 2.990 198 T HA 0.030 4.381 4.350 0.001 0.000 0.250 198 T C 1.090 175.660 174.700 -0.217 0.000 1.041 198 T CA 0.434 62.487 62.100 -0.078 0.000 1.010 198 T CB -0.136 68.736 68.868 0.007 0.000 1.003 198 T HN 0.324 nan 8.240 nan 0.000 0.499 199 C N 1.240 120.332 119.300 -0.347 0.000 4.417 199 C HA -0.092 4.368 4.460 0.001 0.000 0.284 199 C C 0.207 175.102 174.990 -0.157 0.000 1.379 199 C CA 0.467 59.244 59.018 -0.401 0.000 1.918 199 C CB -2.827 24.759 27.740 -0.258 0.000 1.280 199 C HN 0.829 nan 8.230 nan 0.000 0.783 200 E N 1.724 121.921 120.200 -0.004 0.000 2.035 200 E HA 0.359 4.710 4.350 0.001 0.000 0.271 200 E C -0.572 176.198 176.600 0.284 0.000 0.953 200 E CA -2.378 54.107 56.400 0.141 0.000 0.777 200 E CB 0.846 30.642 29.700 0.159 0.000 1.104 200 E HN 0.337 nan 8.360 nan 0.000 0.408 201 P HA -0.147 nan 4.420 nan 0.000 0.222 201 P C 0.506 177.610 177.300 -0.326 0.000 1.147 201 P CA 0.694 63.764 63.100 -0.049 0.000 0.790 201 P CB 0.489 32.136 31.700 -0.088 0.000 0.780 202 E N -0.645 119.467 120.200 -0.146 0.000 2.273 202 E HA -0.196 4.155 4.350 0.001 0.000 0.198 202 E C 1.926 178.392 176.600 -0.224 0.000 1.002 202 E CA 1.010 57.339 56.400 -0.118 0.000 0.828 202 E CB -0.790 28.855 29.700 -0.091 0.000 0.747 202 E HN 0.430 nan 8.360 nan 0.000 0.491 203 Y N -0.236 119.965 120.300 -0.164 0.000 2.128 203 Y HA -0.252 4.298 4.550 0.001 0.000 0.284 203 Y C 2.187 177.928 175.900 -0.265 0.000 1.154 203 Y CA 1.408 59.393 58.100 -0.192 0.000 1.149 203 Y CB -0.694 37.640 38.460 -0.210 0.000 0.976 203 Y HN 0.113 nan 8.280 nan 0.000 0.505 204 Y N -0.784 119.363 120.300 -0.256 0.000 2.181 204 Y HA -0.265 4.286 4.550 0.001 0.000 0.288 204 Y C 2.625 178.423 175.900 -0.169 0.000 1.146 204 Y CA 1.593 59.448 58.100 -0.409 0.000 1.164 204 Y CB -0.922 37.114 38.460 -0.705 0.000 0.982 204 Y HN 0.247 nan 8.280 nan 0.000 0.515 205 H N -0.137 118.988 119.070 0.093 0.000 2.457 205 H HA -0.109 4.448 4.556 0.001 0.000 0.297 205 H C 1.877 177.241 175.328 0.060 0.000 1.092 205 H CA 1.356 57.443 56.048 0.065 0.000 1.309 205 H CB -0.151 29.628 29.762 0.029 0.000 1.382 205 H HN 0.404 nan 8.280 nan 0.000 0.535 206 E N 0.673 120.960 120.200 0.145 0.000 2.204 206 E HA -0.067 4.283 4.350 0.001 0.000 0.194 206 E C 2.097 178.795 176.600 0.163 0.000 0.989 206 E CA 1.116 57.585 56.400 0.115 0.000 0.824 206 E CB 0.192 29.936 29.700 0.073 0.000 0.756 206 E HN 0.525 nan 8.360 nan 0.000 0.477 207 V N -1.182 118.846 119.914 0.190 0.000 3.612 207 V HA 0.125 4.246 4.120 0.001 0.000 0.268 207 V C 0.901 177.144 176.094 0.248 0.000 1.365 207 V CA -0.203 62.258 62.300 0.269 0.000 1.044 207 V CB -0.294 31.634 31.823 0.175 0.000 0.820 207 V HN 0.074 nan 8.190 nan 0.000 0.444 208 E N 2.390 122.725 120.200 0.225 0.000 2.437 208 E HA 0.174 4.525 4.350 0.001 0.000 0.263 208 E C -0.370 176.313 176.600 0.140 0.000 1.030 208 E CA -0.199 56.332 56.400 0.218 0.000 0.934 208 E CB 0.560 30.428 29.700 0.280 0.000 0.943 208 E HN 0.544 nan 8.360 nan 0.000 0.444 209 R N 2.533 123.057 120.500 0.041 0.000 2.873 209 R HA 0.417 4.758 4.340 0.001 0.000 0.264 209 R C -2.453 173.903 176.300 0.092 0.000 1.026 209 R CA -2.395 53.731 56.100 0.045 0.000 1.002 209 R CB 1.367 31.639 30.300 -0.047 0.000 1.174 209 R HN 0.502 nan 8.270 nan 0.000 0.488 210 P HA -0.041 nan 4.420 nan 0.000 0.269 210 P C 0.043 177.462 177.300 0.198 0.000 1.215 210 P CA -0.002 63.183 63.100 0.141 0.000 0.780 210 P CB 0.304 32.069 31.700 0.107 0.000 0.898 211 Y N 2.643 122.976 120.300 0.055 0.000 2.151 211 Y HA -0.288 4.263 4.550 0.001 0.000 0.284 211 Y C 2.274 178.177 175.900 0.004 0.000 1.166 211 Y CA 2.573 60.684 58.100 0.019 0.000 1.163 211 Y CB -0.881 37.581 38.460 0.004 0.000 0.974 211 Y HN 0.386 nan 8.280 nan 0.000 0.511 212 S N -1.627 114.074 115.700 0.000 0.000 2.493 212 S HA -0.177 4.293 4.470 0.001 0.000 0.243 212 S C 1.642 176.209 174.600 -0.055 0.000 0.991 212 S CA 1.361 59.530 58.200 -0.052 0.000 0.957 212 S CB -1.253 61.970 63.200 0.038 0.000 0.756 212 S HN 0.659 nan 8.310 nan 0.000 0.521 213 T N -1.299 113.242 114.554 -0.021 0.000 3.069 213 T HA 0.371 4.721 4.350 0.001 0.000 0.252 213 T C 0.320 174.923 174.700 -0.161 0.000 1.053 213 T CA -0.589 61.528 62.100 0.029 0.000 0.964 213 T CB -0.416 68.549 68.868 0.162 0.000 1.005 213 T HN 0.269 nan 8.240 nan 0.000 0.532 214 L N 2.497 123.391 121.223 -0.547 0.000 2.499 214 L HA 0.223 4.563 4.340 0.001 0.000 0.273 214 L C 0.382 176.854 176.870 -0.663 0.000 1.195 214 L CA 0.512 54.664 54.840 -1.146 0.000 0.882 214 L CB -0.736 40.584 42.059 -1.232 0.000 1.133 214 L HN 0.461 nan 8.230 nan 0.000 0.483 215 Y N 2.269 122.458 120.300 -0.184 0.000 2.786 215 Y HA -0.413 4.138 4.550 0.001 0.000 0.482 215 Y C 1.258 177.039 175.900 -0.199 0.000 1.231 215 Y CA 2.096 60.120 58.100 -0.127 0.000 2.675 215 Y CB -2.284 35.823 38.460 -0.589 0.000 0.944 215 Y HN 0.534 nan 8.280 nan 0.000 0.535 216 F N -0.600 119.480 119.950 0.217 0.000 2.678 216 F HA 0.290 4.817 4.527 0.001 0.000 0.291 216 F C 1.400 177.259 175.800 0.098 0.000 1.123 216 F CA 0.657 58.670 58.000 0.021 0.000 1.395 216 F CB 0.155 39.027 39.000 -0.213 0.000 1.121 216 F HN -0.098 nan 8.300 nan 0.000 0.592 217 R N -0.303 120.314 120.500 0.196 0.000 2.727 217 R HA 0.164 4.505 4.340 0.001 0.000 0.410 217 R C 1.308 177.662 176.300 0.090 0.000 1.101 217 R CA 0.409 56.587 56.100 0.130 0.000 1.045 217 R CB 0.182 30.544 30.300 0.104 0.000 1.380 217 R HN 0.131 nan 8.270 nan 0.000 0.587 218 S N -0.443 115.266 115.700 0.015 0.000 2.481 218 S HA 0.003 4.473 4.470 0.001 0.000 0.231 218 S C 1.558 176.084 174.600 -0.124 0.000 0.996 218 S CA 0.792 58.930 58.200 -0.103 0.000 0.942 218 S CB 0.143 62.936 63.200 -0.678 0.000 0.768 218 S HN 0.574 nan 8.310 nan 0.000 0.520 219 G N 0.551 109.295 108.800 -0.092 0.000 2.159 219 G HA2 -0.215 3.746 3.960 0.001 0.000 0.256 219 G HA3 -0.215 3.746 3.960 0.001 0.000 0.256 219 G C 0.451 175.249 174.900 -0.170 0.000 0.977 219 G CA 0.520 45.572 45.100 -0.081 0.000 0.652 219 G HN 0.560 nan 8.290 nan 0.000 0.531 220 L N -1.058 119.984 121.223 -0.303 0.000 2.766 220 L HA 0.472 4.812 4.340 0.001 0.000 0.241 220 L C 1.041 177.542 176.870 -0.616 0.000 1.080 220 L CA 0.036 54.594 54.840 -0.471 0.000 0.909 220 L CB 0.266 42.021 42.059 -0.508 0.000 1.277 220 L HN 0.102 nan 8.230 nan 0.000 0.510 221 L N 0.524 121.471 121.223 -0.460 0.000 2.325 221 L HA 0.476 4.816 4.340 0.001 0.000 0.278 221 L C -0.144 176.421 176.870 -0.507 0.000 1.023 221 L CA -0.404 54.122 54.840 -0.523 0.000 0.811 221 L CB 1.898 43.591 42.059 -0.609 0.000 1.249 221 L HN 0.046 nan 8.230 nan 0.000 0.431 222 R N 1.911 122.100 120.500 -0.519 0.000 2.338 222 R HA 0.535 4.875 4.340 0.001 0.000 0.317 222 R C -1.610 174.376 176.300 -0.522 0.000 0.968 222 R CA -0.504 55.386 56.100 -0.350 0.000 0.849 222 R CB 0.992 31.185 30.300 -0.178 0.000 1.128 222 R HN 0.340 nan 8.270 nan 0.000 0.448 223 F N 1.871 121.788 119.950 -0.055 0.000 2.443 223 F HA 0.297 4.825 4.527 0.001 0.000 0.335 223 F C 0.954 176.747 175.800 -0.012 0.000 1.104 223 F CA -0.384 57.587 58.000 -0.048 0.000 1.013 223 F CB 1.966 40.934 39.000 -0.054 0.000 1.136 223 F HN 0.524 nan 8.300 nan 0.000 0.470 224 S N 0.046 115.842 115.700 0.159 0.000 2.666 224 S HA 0.237 4.707 4.470 0.001 0.000 0.279 224 S C 0.462 175.131 174.600 0.115 0.000 1.149 224 S CA -0.362 57.902 58.200 0.108 0.000 1.020 224 S CB 0.921 64.171 63.200 0.083 0.000 1.127 224 S HN 0.655 nan 8.310 nan 0.000 0.537 225 D N -0.965 119.482 120.400 0.079 0.000 2.328 225 D HA 0.135 4.775 4.640 0.001 0.000 0.221 225 D C 0.208 176.547 176.300 0.066 0.000 1.072 225 D CA -0.131 53.906 54.000 0.062 0.000 0.850 225 D CB -0.310 40.510 40.800 0.033 0.000 0.922 225 D HN 0.293 nan 8.370 nan 0.000 0.516 226 S N 0.190 115.944 115.700 0.090 0.000 2.835 226 S HA 0.100 4.571 4.470 0.001 0.000 0.248 226 S C -0.008 174.671 174.600 0.130 0.000 1.070 226 S CA -0.676 57.577 58.200 0.088 0.000 1.090 226 S CB 0.658 63.896 63.200 0.064 0.000 0.978 226 S HN 0.107 nan 8.310 nan 0.000 0.510 227 E N 2.254 122.560 120.200 0.177 0.000 2.398 227 E HA 0.300 4.651 4.350 0.001 0.000 0.263 227 E C 0.013 176.730 176.600 0.195 0.000 1.046 227 E CA 0.355 56.881 56.400 0.210 0.000 0.908 227 E CB 0.816 30.666 29.700 0.249 0.000 0.963 227 E HN 0.361 nan 8.360 nan 0.000 0.431 231 D N 3.523 123.940 120.400 0.029 0.000 2.500 231 D HA 0.248 4.888 4.640 0.001 0.000 0.219 231 D C -0.255 176.026 176.300 -0.031 0.000 1.137 231 D CA 0.015 53.991 54.000 -0.039 0.000 0.946 231 D CB 1.097 41.905 40.800 0.014 0.000 1.022 231 D HN 0.617 nan 8.370 nan 0.000 0.518 232 C N 3.581 122.825 119.300 -0.094 0.000 2.281 232 C HA 0.695 5.155 4.460 0.001 0.000 0.336 232 C C 1.139 176.098 174.990 -0.052 0.000 1.217 232 C CA 0.701 59.676 59.018 -0.072 0.000 1.730 232 C CB -1.245 26.432 27.740 -0.106 0.000 2.338 232 C HN 0.818 nan 8.230 nan 0.000 0.521 233 G N 5.181 113.974 108.800 -0.011 0.000 2.520 233 G HA2 0.013 3.974 3.960 0.001 0.000 0.264 233 G HA3 0.013 3.974 3.960 0.001 0.000 0.264 233 G C 0.635 175.564 174.900 0.048 0.000 1.140 233 G CA 0.084 45.199 45.100 0.024 0.000 1.012 233 G HN 1.638 nan 8.290 nan 0.000 0.511 234 A N -0.070 122.779 122.820 0.049 0.000 2.121 234 A HA 0.375 4.696 4.320 0.001 0.000 0.218 234 A C 2.393 180.029 177.584 0.088 0.000 1.154 234 A CA 1.973 54.050 52.037 0.066 0.000 0.679 234 A CB -0.373 18.668 19.000 0.067 0.000 0.795 234 A HN 1.986 nan 8.150 nan 0.000 0.458 235 S N -0.869 114.885 115.700 0.090 0.000 4.157 235 S HA -0.335 4.136 4.470 0.001 0.000 0.538 235 S C 1.167 175.822 174.600 0.091 0.000 1.820 235 S CA 2.226 60.485 58.200 0.099 0.000 4.198 235 S CB -1.478 61.795 63.200 0.122 0.000 0.638 235 S HN 1.436 nan 8.310 nan 0.000 0.457 236 I N -1.174 119.456 120.570 0.101 0.000 3.974 236 I HA 0.610 4.781 4.170 0.001 0.000 0.334 236 I C 1.087 177.264 176.117 0.101 0.000 1.437 236 I CA 0.515 61.870 61.300 0.092 0.000 1.113 236 I CB 0.238 38.291 38.000 0.087 0.000 1.063 236 I HN 0.997 nan 8.210 nan 0.000 0.400 237 G N 1.646 110.512 108.800 0.110 0.000 2.141 237 G HA2 -0.265 3.696 3.960 0.001 0.000 0.231 237 G HA3 -0.265 3.696 3.960 0.001 0.000 0.231 237 G C 0.519 175.491 174.900 0.120 0.000 0.984 237 G CA 0.501 45.670 45.100 0.116 0.000 0.660 237 G HN 0.580 nan 8.290 nan 0.000 0.525 238 E N 0.518 120.799 120.200 0.135 0.000 2.110 238 E HA -0.065 4.286 4.350 0.001 0.000 0.193 238 E C 2.503 179.188 176.600 0.141 0.000 0.988 238 E CA 1.397 57.880 56.400 0.138 0.000 0.804 238 E CB -0.138 29.666 29.700 0.174 0.000 0.745 238 E HN 0.529 nan 8.360 nan 0.000 0.458 239 S N 1.045 116.862 115.700 0.196 0.000 2.423 239 S HA -0.119 4.352 4.470 0.001 0.000 0.231 239 S C 1.908 176.546 174.600 0.062 0.000 1.014 239 S CA 0.580 58.969 58.200 0.315 0.000 0.965 239 S CB -0.119 63.259 63.200 0.296 0.000 0.785 239 S HN 0.163 nan 8.310 nan 0.000 0.495 240 L N 2.236 123.446 121.223 -0.022 0.000 2.056 240 L HA 0.127 4.468 4.340 0.001 0.000 0.207 240 L C 2.335 179.046 176.870 -0.265 0.000 1.078 240 L CA 1.786 56.517 54.840 -0.181 0.000 0.749 240 L CB -1.098 40.905 42.059 -0.093 0.000 0.901 240 L HN 0.210 nan 8.230 nan 0.000 0.433 241 A N -0.282 122.479 122.820 -0.098 0.000 1.940 241 A HA -0.068 4.253 4.320 0.001 0.000 0.219 241 A C 2.308 179.742 177.584 -0.249 0.000 1.176 241 A CA 1.593 53.586 52.037 -0.074 0.000 0.631 241 A CB -1.591 17.447 19.000 0.062 0.000 0.814 241 A HN 0.558 nan 8.150 nan 0.000 0.446 242 G N -0.465 108.108 108.800 -0.377 0.000 2.403 242 G HA2 -0.050 3.910 3.960 0.001 0.000 0.216 242 G HA3 -0.050 3.910 3.960 0.001 0.000 0.216 242 G C 1.477 175.589 174.900 -1.313 0.000 1.154 242 G CA 1.042 45.715 45.100 -0.712 0.000 0.784 242 G HN 0.472 nan 8.290 nan 0.000 0.538 243 L N 0.815 121.142 121.223 -1.493 0.000 2.017 243 L HA 0.068 4.409 4.340 0.001 0.000 0.208 243 L C 2.678 179.138 176.870 -0.683 0.000 1.073 243 L CA 1.370 55.508 54.840 -1.169 0.000 0.745 243 L CB -0.404 41.205 42.059 -0.751 0.000 0.894 243 L HN 0.249 nan 8.230 nan 0.000 0.432 244 I N -0.407 119.815 120.570 -0.579 0.000 2.151 244 I HA -0.292 3.879 4.170 0.001 0.000 0.243 244 I C 2.481 178.439 176.117 -0.264 0.000 1.080 244 I CA 1.553 62.616 61.300 -0.394 0.000 1.339 244 I CB -1.178 36.596 38.000 -0.377 0.000 1.039 244 I HN 0.450 nan 8.210 nan 0.000 0.409 245 G N 0.654 109.291 108.800 -0.273 0.000 2.433 245 G HA2 -0.227 3.734 3.960 0.001 0.000 0.216 245 G HA3 -0.227 3.734 3.960 0.001 0.000 0.216 245 G C 1.710 176.505 174.900 -0.174 0.000 1.186 245 G CA 1.345 46.338 45.100 -0.178 0.000 0.779 245 G HN 0.402 nan 8.290 nan 0.000 0.543 246 V N -0.354 119.399 119.914 -0.267 0.000 2.809 246 V HA 0.010 4.131 4.120 0.001 0.000 0.256 246 V C 2.436 178.455 176.094 -0.125 0.000 1.080 246 V CA 2.305 64.495 62.300 -0.184 0.000 1.102 246 V CB -0.892 30.802 31.823 -0.216 0.000 0.705 246 V HN 0.463 nan 8.190 nan 0.000 0.475 247 T N -3.375 111.086 114.554 -0.154 0.000 3.086 247 T HA 0.218 4.568 4.350 0.001 0.000 0.250 247 T C 0.749 175.424 174.700 -0.043 0.000 1.074 247 T CA 0.099 62.159 62.100 -0.066 0.000 0.988 247 T CB -0.467 68.375 68.868 -0.043 0.000 0.988 247 T HN 0.588 nan 8.240 nan 0.000 0.530 248 K N 1.172 121.538 120.400 -0.057 0.000 3.257 248 K HA -0.142 4.179 4.320 0.001 0.000 0.270 248 K C 0.881 177.474 176.600 -0.012 0.000 0.984 248 K CA 0.291 56.562 56.287 -0.025 0.000 0.739 248 K CB -2.132 30.363 32.500 -0.007 0.000 1.351 248 K HN 0.907 nan 8.250 nan 0.000 0.463 249 G N 0.476 109.247 108.800 -0.048 0.000 2.221 249 G HA2 -0.340 3.621 3.960 0.001 0.000 0.265 249 G HA3 -0.340 3.621 3.960 0.001 0.000 0.265 249 G C -0.332 174.491 174.900 -0.130 0.000 1.041 249 G CA 0.847 45.910 45.100 -0.063 0.000 0.807 249 G HN 0.392 nan 8.290 nan 0.000 0.502 250 K N -0.263 120.069 120.400 -0.113 0.000 2.604 250 K HA 0.620 4.941 4.320 0.001 0.000 0.247 250 K C -0.414 176.160 176.600 -0.043 0.000 0.956 250 K CA -0.740 55.465 56.287 -0.137 0.000 0.896 250 K CB 1.190 33.661 32.500 -0.048 0.000 1.131 250 K HN 0.432 nan 8.250 nan 0.000 0.440 251 F N -1.099 118.769 119.950 -0.137 0.000 2.711 251 F HA 0.494 5.022 4.527 0.001 0.000 0.313 251 F C 0.610 176.362 175.800 -0.080 0.000 1.141 251 F CA -1.057 56.875 58.000 -0.112 0.000 0.941 251 F CB 1.020 39.917 39.000 -0.171 0.000 1.349 251 F HN 0.055 nan 8.300 nan 0.000 0.464 252 E N 0.100 120.391 120.200 0.153 0.000 2.127 252 E HA 0.170 4.520 4.350 0.001 0.000 0.191 252 E C -0.041 176.585 176.600 0.045 0.000 0.964 252 E CA 0.667 57.092 56.400 0.042 0.000 0.832 252 E CB 0.274 29.999 29.700 0.041 0.000 0.790 252 E HN 0.552 nan 8.360 nan 0.000 0.465 253 R N -0.797 119.761 120.500 0.098 0.000 2.634 253 R HA 0.376 4.717 4.340 0.001 0.000 0.263 253 R C -1.976 174.148 176.300 -0.293 0.000 1.060 253 R CA -0.392 55.589 56.100 -0.198 0.000 0.898 253 R CB 1.579 31.514 30.300 -0.609 0.000 1.253 253 R HN -0.198 nan 8.270 nan 0.000 0.461 254 V N 4.127 123.825 119.914 -0.359 0.000 2.525 254 V HA 0.603 4.724 4.120 0.001 0.000 0.299 254 V C -0.544 175.403 176.094 -0.245 0.000 1.034 254 V CA -0.753 61.369 62.300 -0.297 0.000 0.863 254 V CB 1.547 33.200 31.823 -0.284 0.000 0.999 254 V HN 0.549 nan 8.190 nan 0.000 0.423 258 E N 9.295 129.516 120.200 0.033 0.000 2.307 258 E HA 0.482 4.832 4.350 0.001 0.000 0.280 258 E C -2.490 174.074 176.600 -0.061 0.000 0.900 258 E CA -1.501 54.900 56.400 0.002 0.000 0.790 258 E CB 2.671 32.389 29.700 0.030 0.000 1.261 258 E HN 0.192 nan 8.360 nan 0.000 0.405 259 P HA 0.063 nan 4.420 nan 0.000 0.234 259 P C -0.159 176.893 177.300 -0.414 0.000 1.175 259 P CA 0.142 63.032 63.100 -0.350 0.000 0.801 259 P CB 0.326 31.658 31.700 -0.613 0.000 0.891 260 D N 0.427 120.710 120.400 -0.194 0.000 2.383 260 D HA 0.079 4.719 4.640 0.001 0.000 0.252 260 D C 1.484 177.802 176.300 0.030 0.000 1.166 260 D CA 0.140 54.168 54.000 0.047 0.000 0.879 260 D CB 1.364 42.323 40.800 0.266 0.000 1.164 260 D HN -0.116 nan 8.370 nan 0.000 0.462 261 R N 4.035 124.563 120.500 0.047 0.000 2.120 261 R HA -0.093 4.248 4.340 0.001 0.000 0.234 261 R C 2.121 178.446 176.300 0.042 0.000 1.123 261 R CA 1.393 57.511 56.100 0.030 0.000 0.975 261 R CB -1.151 29.171 30.300 0.036 0.000 0.866 261 R HN 0.730 nan 8.270 nan 0.000 0.446 262 I N 0.834 121.442 120.570 0.064 0.000 2.353 262 I HA -0.185 3.986 4.170 0.001 0.000 0.248 262 I C 1.669 177.816 176.117 0.050 0.000 1.119 262 I CA 0.888 62.220 61.300 0.053 0.000 1.417 262 I CB -0.183 37.851 38.000 0.056 0.000 1.078 262 I HN 0.316 nan 8.210 nan 0.000 0.421 263 N N 1.008 119.744 118.700 0.061 0.000 2.188 263 N HA -0.088 4.653 4.740 0.001 0.000 0.184 263 N C 1.959 177.496 175.510 0.045 0.000 1.018 263 N CA 1.206 54.292 53.050 0.059 0.000 0.858 263 N CB -0.326 38.204 38.487 0.073 0.000 0.989 263 N HN 0.297 nan 8.380 nan 0.000 0.426 264 L N 1.162 122.404 121.223 0.032 0.000 2.083 264 L HA -0.176 4.164 4.340 0.001 0.000 0.209 264 L C 2.316 179.199 176.870 0.021 0.000 1.083 264 L CA 1.078 55.930 54.840 0.021 0.000 0.752 264 L CB -0.343 41.719 42.059 0.005 0.000 0.899 264 L HN 0.209 nan 8.230 nan 0.000 0.433 265 Q N -0.760 119.054 119.800 0.023 0.000 2.084 265 Q HA -0.188 4.153 4.340 0.001 0.000 0.202 265 Q C 2.189 178.203 176.000 0.022 0.000 0.978 265 Q CA 2.068 57.883 55.803 0.020 0.000 0.844 265 Q CB -0.285 28.465 28.738 0.020 0.000 0.898 265 Q HN 0.456 nan 8.270 nan 0.000 0.426 266 T N 1.445 116.016 114.554 0.029 0.000 2.746 266 T HA -0.096 4.255 4.350 0.001 0.000 0.267 266 T C 1.808 176.531 174.700 0.037 0.000 1.039 266 T CA 0.873 62.993 62.100 0.032 0.000 1.142 266 T CB -0.154 68.739 68.868 0.041 0.000 0.866 266 T HN 0.179 nan 8.240 nan 0.000 0.444 267 L N 0.833 122.082 121.223 0.044 0.000 2.201 267 L HA -0.079 4.262 4.340 0.001 0.000 0.212 267 L C 2.896 179.794 176.870 0.047 0.000 1.105 267 L CA 0.818 55.690 54.840 0.054 0.000 0.775 267 L CB -0.471 41.620 42.059 0.054 0.000 0.913 267 L HN 0.186 nan 8.230 nan 0.000 0.440 268 Q N -0.085 119.733 119.800 0.030 0.000 2.167 268 Q HA -0.122 4.218 4.340 0.001 0.000 0.202 268 Q C 1.885 177.894 176.000 0.015 0.000 0.970 268 Q CA 1.051 56.867 55.803 0.022 0.000 0.855 268 Q CB -0.318 28.427 28.738 0.012 0.000 0.911 268 Q HN 0.568 nan 8.270 nan 0.000 0.438 269 N N 0.096 118.802 118.700 0.010 0.000 2.171 269 N HA -0.091 4.650 4.740 0.001 0.000 0.184 269 N C 1.989 177.485 175.510 -0.023 0.000 1.021 269 N CA 0.840 53.886 53.050 -0.008 0.000 0.854 269 N CB -0.384 38.099 38.487 -0.007 0.000 0.994 269 N HN 0.024 nan 8.380 nan 0.000 0.426 270 V N 2.132 122.051 119.914 0.009 0.000 2.332 270 V HA -0.171 3.949 4.120 0.001 0.000 0.248 270 V C 2.385 178.511 176.094 0.054 0.000 1.055 270 V CA 1.213 63.526 62.300 0.022 0.000 1.038 270 V CB -0.583 31.307 31.823 0.111 0.000 0.651 270 V HN 0.248 nan 8.190 nan 0.000 0.450 271 L N -0.646 120.638 121.223 0.102 0.000 2.131 271 L HA -0.170 4.170 4.340 0.001 0.000 0.210 271 L C 2.706 179.619 176.870 0.072 0.000 1.092 271 L CA 1.535 56.465 54.840 0.151 0.000 0.759 271 L CB -0.632 41.488 42.059 0.103 0.000 0.903 271 L HN 0.257 nan 8.230 nan 0.000 0.435 272 R N 0.396 120.892 120.500 -0.006 0.000 2.148 272 R HA -0.124 4.217 4.340 0.001 0.000 0.227 272 R C 2.306 178.538 176.300 -0.112 0.000 1.103 272 R CA 0.972 57.046 56.100 -0.042 0.000 0.983 272 R CB -0.189 30.086 30.300 -0.042 0.000 0.874 272 R HN 0.480 nan 8.270 nan 0.000 0.451 273 R N -0.749 119.606 120.500 -0.241 0.000 2.280 273 R HA -0.083 4.258 4.340 0.001 0.000 0.207 273 R C 0.326 176.346 176.300 -0.467 0.000 1.043 273 R CA 1.185 57.044 56.100 -0.402 0.000 1.006 273 R CB 0.027 30.019 30.300 -0.512 0.000 0.885 273 R HN 0.233 nan 8.270 nan 0.000 0.467 274 Y N 0.079 120.374 120.300 -0.007 0.000 2.612 274 Y HA 0.200 4.751 4.550 0.001 0.000 0.250 274 Y C 2.021 177.830 175.900 -0.153 0.000 1.175 274 Y CA -0.350 57.705 58.100 -0.075 0.000 1.205 274 Y CB 0.489 38.968 38.460 0.032 0.000 1.201 274 Y HN 0.023 nan 8.280 nan 0.000 0.532 275 T N -0.259 114.299 114.554 0.006 0.000 2.803 275 T HA -0.173 4.178 4.350 0.001 0.000 0.269 275 T C 1.184 175.842 174.700 -0.071 0.000 1.052 275 T CA 2.244 64.327 62.100 -0.027 0.000 1.136 275 T CB -0.149 68.704 68.868 -0.025 0.000 0.864 275 T HN 0.274 nan 8.240 nan 0.000 0.467 276 D N 1.348 121.698 120.400 -0.084 0.000 2.349 276 D HA 0.105 4.746 4.640 0.001 0.000 0.214 276 D C 1.102 177.309 176.300 -0.154 0.000 1.063 276 D CA 0.214 54.156 54.000 -0.097 0.000 0.847 276 D CB 0.048 40.806 40.800 -0.069 0.000 0.933 276 D HN 0.600 nan 8.370 nan 0.000 0.513 277 T N 0.064 114.459 114.554 -0.264 0.000 2.828 277 T HA 0.041 4.392 4.350 0.001 0.000 0.290 277 T C 1.234 175.683 174.700 -0.419 0.000 1.019 277 T CA -0.673 61.149 62.100 -0.463 0.000 1.031 277 T CB 1.038 69.233 68.868 -1.122 0.000 1.001 277 T HN -0.092 nan 8.240 nan 0.000 0.531 278 N N 0.161 118.654 118.700 -0.345 0.000 2.461 278 N HA 0.003 4.744 4.740 0.001 0.000 0.188 278 N C 0.731 176.133 175.510 -0.181 0.000 1.134 278 N CA 0.184 53.114 53.050 -0.200 0.000 0.878 278 N CB -0.704 37.720 38.487 -0.106 0.000 0.972 278 N HN 0.792 nan 8.380 nan 0.000 0.456 279 F N -2.628 117.208 119.950 -0.191 0.000 2.678 279 F HA 0.680 5.208 4.527 0.001 0.000 0.305 279 F C 1.850 177.571 175.800 -0.132 0.000 1.090 279 F CA -0.855 56.962 58.000 -0.305 0.000 1.272 279 F CB -0.511 38.076 39.000 -0.689 0.000 1.060 279 F HN 0.068 nan 8.300 nan 0.000 0.576 280 A N 1.198 123.932 122.820 -0.144 0.000 1.948 280 A HA -0.203 4.118 4.320 0.001 0.000 0.220 280 A C 2.394 180.008 177.584 0.050 0.000 1.177 280 A CA 2.278 54.314 52.037 -0.000 0.000 0.636 280 A CB -1.278 17.680 19.000 -0.071 0.000 0.815 280 A HN 0.534 nan 8.150 nan 0.000 0.449 281 S N -0.697 115.008 115.700 0.007 0.000 2.522 281 S HA -0.029 4.442 4.470 0.001 0.000 0.227 281 S C 1.583 176.191 174.600 0.013 0.000 0.986 281 S CA 0.767 58.970 58.200 0.005 0.000 0.929 281 S CB -0.257 62.933 63.200 -0.016 0.000 0.769 281 S HN 0.633 nan 8.310 nan 0.000 0.529 282 R N 0.208 120.731 120.500 0.039 0.000 2.310 282 R HA 0.414 4.755 4.340 0.001 0.000 0.202 282 R C -0.356 175.969 176.300 0.042 0.000 0.933 282 R CA 0.170 56.286 56.100 0.027 0.000 1.054 282 R CB -0.045 30.270 30.300 0.026 0.000 0.985 282 R HN 0.433 nan 8.270 nan 0.000 0.489 283 I N 1.146 121.768 120.570 0.087 0.000 2.378 283 I HA 0.185 4.355 4.170 0.001 0.000 0.291 283 I C 0.090 176.218 176.117 0.019 0.000 0.992 283 I CA -0.539 60.797 61.300 0.060 0.000 1.154 283 I CB 2.013 40.096 38.000 0.139 0.000 1.315 283 I HN -0.028 nan 8.210 nan 0.000 0.448 284 T N 2.734 117.290 114.554 0.003 0.000 2.907 284 T HA 0.749 5.100 4.350 0.001 0.000 0.292 284 T C -0.616 174.036 174.700 -0.079 0.000 1.043 284 T CA -0.812 61.264 62.100 -0.040 0.000 1.003 284 T CB 1.959 70.808 68.868 -0.031 0.000 1.084 284 T HN 0.158 nan 8.240 nan 0.000 0.483 285 V N 2.911 122.691 119.914 -0.224 0.000 2.459 285 V HA 0.449 4.570 4.120 0.001 0.000 0.295 285 V C -0.494 175.361 176.094 -0.397 0.000 1.029 285 V CA -0.806 61.397 62.300 -0.162 0.000 0.874 285 V CB 1.229 33.020 31.823 -0.054 0.000 0.985 285 V HN 0.935 nan 8.190 nan 0.000 0.438 286 H N 3.367 122.471 119.070 0.057 0.000 2.762 286 H HA 0.313 4.870 4.556 0.001 0.000 0.310 286 H C 0.556 175.884 175.328 -0.001 0.000 1.004 286 H CA -0.427 55.641 56.048 0.034 0.000 1.267 286 H CB 1.919 31.708 29.762 0.046 0.000 1.437 286 H HN 0.827 nan 8.280 nan 0.000 0.498 287 G N 3.019 111.845 108.800 0.043 0.000 3.102 287 G HA2 0.323 4.284 3.960 0.001 0.000 0.264 287 G HA3 0.323 4.284 3.960 0.001 0.000 0.264 287 G C 0.475 175.353 174.900 -0.037 0.000 0.788 287 G CA -0.109 44.985 45.100 -0.010 0.000 2.029 287 G HN 0.716 nan 8.290 nan 0.000 0.608 288 C N -0.663 118.614 119.300 -0.039 0.000 3.332 288 C HA 0.950 5.411 4.460 0.001 0.000 0.329 288 C C 0.573 175.504 174.990 -0.099 0.000 1.434 288 C CA -0.541 58.430 59.018 -0.077 0.000 1.314 288 C CB 1.493 29.211 27.740 -0.036 0.000 1.664 288 C HN 0.640 nan 8.230 nan 0.000 0.457 289 G N -0.027 108.702 108.800 -0.119 0.000 2.412 289 G HA2 0.727 4.688 3.960 0.001 0.000 0.318 289 G HA3 0.727 4.688 3.960 0.001 0.000 0.318 289 G C -0.295 174.561 174.900 -0.072 0.000 1.146 289 G CA -0.005 45.037 45.100 -0.097 0.000 0.882 289 G HN 1.725 nan 8.290 nan 0.000 0.501 290 A N 0.169 122.949 122.820 -0.067 0.000 2.289 290 A HA 0.872 5.193 4.320 0.001 0.000 0.298 290 A C 0.610 178.149 177.584 -0.075 0.000 1.208 290 A CA 0.275 52.265 52.037 -0.078 0.000 0.845 290 A CB 0.847 19.796 19.000 -0.085 0.000 1.125 290 A HN 1.575 nan 8.150 nan 0.000 0.517 291 G N 0.563 109.316 108.800 -0.079 0.000 2.749 291 G HA2 0.498 4.458 3.960 0.001 0.000 0.300 291 G HA3 0.498 4.458 3.960 0.001 0.000 0.300 291 G C 0.180 175.029 174.900 -0.086 0.000 1.352 291 G CA 0.114 45.166 45.100 -0.079 0.000 0.789 291 G HN 0.686 nan 8.290 nan 0.000 0.509 292 E N -0.967 119.182 120.200 -0.086 0.000 2.318 292 E HA 0.085 4.436 4.350 0.001 0.000 0.193 292 E C 0.590 177.149 176.600 -0.068 0.000 0.998 292 E CA 0.741 57.089 56.400 -0.088 0.000 0.859 292 E CB -0.072 29.565 29.700 -0.104 0.000 0.812 292 E HN 0.407 nan 8.360 nan 0.000 0.492 293 N N 0.029 118.693 118.700 -0.060 0.000 3.278 293 N HA 0.165 4.906 4.740 0.001 0.000 0.307 293 N C -1.286 174.196 175.510 -0.047 0.000 1.551 293 N CA -0.862 52.158 53.050 -0.050 0.000 0.794 293 N CB 0.819 39.281 38.487 -0.043 0.000 1.770 293 N HN -0.203 nan 8.380 nan 0.000 0.612 294 T N 0.708 115.238 114.554 -0.039 0.000 2.738 294 T HA 0.608 4.959 4.350 0.001 0.000 0.298 294 T C -0.394 174.288 174.700 -0.029 0.000 0.962 294 T CA -0.264 61.815 62.100 -0.035 0.000 0.972 294 T CB -0.680 68.169 68.868 -0.031 0.000 0.928 294 T HN 0.478 nan 8.240 nan 0.000 0.474 295 I N 2.251 122.804 120.570 -0.028 0.000 2.842 295 I HA 0.448 4.619 4.170 0.001 0.000 0.297 295 I C -1.155 174.950 176.117 -0.020 0.000 1.380 295 I CA -1.039 60.248 61.300 -0.022 0.000 1.018 295 I CB 2.142 40.129 38.000 -0.021 0.000 1.311 295 I HN 0.415 nan 8.210 nan 0.000 0.439 296 R N 6.501 126.993 120.500 -0.014 0.000 2.229 296 R HA 0.737 5.077 4.340 0.001 0.000 0.332 296 R C -1.537 174.762 176.300 -0.001 0.000 0.989 296 R CA -0.426 55.667 56.100 -0.011 0.000 0.842 296 R CB 1.275 31.569 30.300 -0.009 0.000 1.119 296 R HN 0.482 nan 8.270 nan 0.000 0.456 297 V N 1.678 121.596 119.914 0.008 0.000 3.114 297 V HA 0.688 4.809 4.120 0.001 0.000 0.308 297 V C -2.820 173.306 176.094 0.053 0.000 1.168 297 V CA -2.952 59.363 62.300 0.025 0.000 1.015 297 V CB 2.016 33.855 31.823 0.026 0.000 1.050 297 V HN 0.644 nan 8.190 nan 0.000 0.433 298 P HA 0.246 nan 4.420 nan 0.000 0.268 298 P C -0.979 176.420 177.300 0.164 0.000 1.205 298 P CA 0.240 63.394 63.100 0.090 0.000 0.771 298 P CB 0.161 31.893 31.700 0.053 0.000 0.858 321 L N 1.432 122.696 121.223 0.069 0.000 2.334 321 L HA 0.837 5.178 4.340 0.001 0.000 0.277 321 L C 0.590 177.467 176.870 0.012 0.000 1.075 321 L CA -0.774 54.096 54.840 0.049 0.000 0.804 321 L CB 1.506 43.579 42.059 0.024 0.000 1.174 321 L HN 0.728 nan 8.230 nan 0.000 0.438 322 I N -2.203 118.359 120.570 -0.014 0.000 2.846 322 I HA 0.554 4.725 4.170 0.001 0.000 0.307 322 I C -1.006 175.069 176.117 -0.071 0.000 1.053 322 I CA -0.948 60.289 61.300 -0.104 0.000 1.050 322 I CB 2.103 39.932 38.000 -0.285 0.000 1.239 322 I HN 0.299 nan 8.210 nan 0.000 0.439 323 D N 3.501 123.852 120.400 -0.080 0.000 2.256 323 D HA 0.494 5.134 4.640 0.001 0.000 0.250 323 D C -0.598 175.660 176.300 -0.069 0.000 1.093 323 D CA -0.033 53.933 54.000 -0.056 0.000 0.882 323 D CB 2.360 43.135 40.800 -0.042 0.000 1.185 323 D HN 0.317 nan 8.370 nan 0.000 0.437 324 V N 3.444 123.327 119.914 -0.052 0.000 2.540 324 V HA 0.526 4.646 4.120 0.001 0.000 0.302 324 V C 0.117 176.180 176.094 -0.051 0.000 1.035 324 V CA -0.678 61.589 62.300 -0.055 0.000 0.873 324 V CB 1.832 33.630 31.823 -0.043 0.000 0.992 324 V HN 0.399 nan 8.190 nan 0.000 0.428 325 R N 4.621 125.086 120.500 -0.060 0.000 2.740 325 R HA 0.551 4.892 4.340 0.001 0.000 0.273 325 R C -2.973 173.279 176.300 -0.080 0.000 0.998 325 R CA -1.868 54.194 56.100 -0.064 0.000 0.900 325 R CB 2.915 33.177 30.300 -0.063 0.000 1.223 325 R HN 0.407 nan 8.270 nan 0.000 0.466 326 P HA 0.168 nan 4.420 nan 0.000 0.278 326 P C 0.535 177.758 177.300 -0.128 0.000 1.238 326 P CA -0.234 62.809 63.100 -0.096 0.000 0.794 326 P CB 0.879 32.530 31.700 -0.081 0.000 0.955 327 I N 1.222 121.706 120.570 -0.143 0.000 2.194 327 I HA -0.283 3.888 4.170 0.001 0.000 0.246 327 I C 1.693 177.669 176.117 -0.235 0.000 1.093 327 I CA 1.721 62.900 61.300 -0.201 0.000 1.355 327 I CB -0.509 37.382 38.000 -0.181 0.000 1.046 327 I HN 0.331 nan 8.210 nan 0.000 0.413 328 D N 0.275 120.574 120.400 -0.168 0.000 2.182 328 D HA -0.228 4.413 4.640 0.001 0.000 0.201 328 D C 1.721 177.928 176.300 -0.155 0.000 0.986 328 D CA 1.466 55.376 54.000 -0.151 0.000 0.847 328 D CB -0.286 40.461 40.800 -0.089 0.000 0.942 328 D HN 0.400 nan 8.370 nan 0.000 0.467 329 D N -0.539 119.776 120.400 -0.142 0.000 2.240 329 D HA 0.048 4.689 4.640 0.001 0.000 0.206 329 D C 2.148 178.355 176.300 -0.155 0.000 0.963 329 D CA 0.159 54.088 54.000 -0.119 0.000 0.863 329 D CB 0.176 40.926 40.800 -0.082 0.000 0.973 329 D HN 0.105 nan 8.370 nan 0.000 0.501 330 I N 1.404 121.839 120.570 -0.224 0.000 2.202 330 I HA -0.090 4.081 4.170 0.001 0.000 0.242 330 I C 1.437 177.293 176.117 -0.436 0.000 1.091 330 I CA 0.457 61.569 61.300 -0.312 0.000 1.368 330 I CB -0.363 37.404 38.000 -0.388 0.000 1.058 330 I HN 0.113 nan 8.210 nan 0.000 0.410 331 I N -0.374 119.839 120.570 -0.596 0.000 2.886 331 I HA 0.158 4.329 4.170 0.001 0.000 0.299 331 I C -0.140 175.742 176.117 -0.391 0.000 1.044 331 I CA -0.424 60.325 61.300 -0.919 0.000 1.310 331 I CB 0.784 37.836 38.000 -1.580 0.000 1.441 331 I HN 0.095 nan 8.210 nan 0.000 0.578 332 D N 0.389 120.705 120.400 -0.140 0.000 2.620 332 D HA 0.346 4.987 4.640 0.001 0.000 0.260 332 D C -0.633 175.748 176.300 0.135 0.000 1.367 332 D CA -0.088 53.950 54.000 0.063 0.000 0.805 332 D CB 0.166 41.071 40.800 0.176 0.000 1.096 332 D HN 0.644 nan 8.370 nan 0.000 0.488 333 D N -0.338 120.115 120.400 0.088 0.000 2.653 333 D HA 0.499 5.139 4.640 0.001 0.000 0.258 333 D C -1.248 175.048 176.300 -0.006 0.000 1.252 333 D CA -0.634 53.453 54.000 0.145 0.000 0.777 333 D CB 1.861 42.888 40.800 0.379 0.000 1.339 333 D HN 0.024 nan 8.370 nan 0.000 0.422 334 A N 2.071 124.841 122.820 -0.083 0.000 2.451 334 A HA 0.551 4.872 4.320 0.001 0.000 0.266 334 A C -2.210 175.355 177.584 -0.032 0.000 1.119 334 A CA -0.656 51.201 52.037 -0.300 0.000 0.786 334 A CB -0.112 18.364 19.000 -0.873 0.000 1.061 334 A HN 0.327 nan 8.150 nan 0.000 0.503 335 P HA 0.274 nan 4.420 nan 0.000 0.279 335 P C 0.586 178.000 177.300 0.190 0.000 1.252 335 P CA -0.128 63.099 63.100 0.211 0.000 0.811 335 P CB 1.222 33.014 31.700 0.154 0.000 1.035 336 T N -2.856 111.857 114.554 0.265 0.000 3.001 336 T HA 0.289 4.640 4.350 0.001 0.000 0.251 336 T C -0.100 174.833 174.700 0.389 0.000 1.040 336 T CA 0.082 62.342 62.100 0.267 0.000 0.985 336 T CB -0.214 68.796 68.868 0.237 0.000 1.011 336 T HN 0.317 nan 8.240 nan 0.000 0.509 337 F N 0.958 121.027 119.950 0.198 0.000 2.622 337 F HA 0.640 5.168 4.527 0.001 0.000 0.318 337 F C -2.314 173.578 175.800 0.152 0.000 1.135 337 F CA -2.524 55.594 58.000 0.197 0.000 1.015 337 F CB 1.462 40.629 39.000 0.278 0.000 1.275 337 F HN -0.006 nan 8.300 nan 0.000 0.457 338 I N 6.897 127.261 120.570 -0.343 0.000 2.411 338 I HA 0.344 4.514 4.170 0.001 0.000 0.284 338 I C -0.298 175.339 176.117 -0.801 0.000 1.012 338 I CA -0.708 60.315 61.300 -0.461 0.000 1.119 338 I CB 1.463 39.347 38.000 -0.193 0.000 1.261 338 I HN 0.480 nan 8.210 nan 0.000 0.448 342 I N -1.130 119.377 120.570 -0.104 0.000 2.892 342 I HA 0.885 5.056 4.170 0.001 0.000 0.306 342 I C 1.155 177.112 176.117 -0.268 0.000 1.078 342 I CA -0.778 60.446 61.300 -0.125 0.000 1.032 342 I CB 1.743 39.691 38.000 -0.087 0.000 1.229 342 I HN 0.077 nan 8.210 nan 0.000 0.435 343 E N 3.370 123.509 120.200 -0.102 0.000 2.152 343 E HA 0.197 4.548 4.350 0.001 0.000 0.192 343 E C 1.113 177.654 176.600 -0.097 0.000 0.983 343 E CA 0.931 57.276 56.400 -0.092 0.000 0.818 343 E CB -0.651 29.058 29.700 0.016 0.000 0.758 343 E HN 0.997 nan 8.360 nan 0.000 0.467 344 G N -0.118 108.649 108.800 -0.056 0.000 2.553 344 G HA2 0.325 4.286 3.960 0.001 0.000 0.278 344 G HA3 0.325 4.286 3.960 0.001 0.000 0.278 344 G C 0.392 175.237 174.900 -0.091 0.000 1.349 344 G CA 0.346 45.419 45.100 -0.044 0.000 1.037 344 G HN 0.476 nan 8.290 nan 0.000 0.508 345 S N -0.985 114.670 115.700 -0.074 0.000 2.481 345 S HA 0.054 4.524 4.470 0.001 0.000 0.282 345 S C 1.191 175.731 174.600 -0.099 0.000 1.243 345 S CA -0.041 58.108 58.200 -0.085 0.000 1.078 345 S CB 0.288 63.438 63.200 -0.083 0.000 0.916 345 S HN 0.557 nan 8.310 nan 0.000 0.495 346 E N 3.306 123.447 120.200 -0.097 0.000 2.274 346 E HA -0.090 4.261 4.350 0.001 0.000 0.194 346 E C 1.546 178.086 176.600 -0.101 0.000 0.996 346 E CA 0.448 56.795 56.400 -0.088 0.000 0.840 346 E CB -0.019 29.649 29.700 -0.053 0.000 0.772 346 E HN 0.669 nan 8.360 nan 0.000 0.491 347 L N 0.568 121.720 121.223 -0.118 0.000 2.044 347 L HA -0.097 4.244 4.340 0.001 0.000 0.205 347 L C 2.152 178.858 176.870 -0.273 0.000 1.075 347 L CA 1.654 56.376 54.840 -0.197 0.000 0.747 347 L CB -0.355 41.598 42.059 -0.176 0.000 0.903 347 L HN -0.110 nan 8.230 nan 0.000 0.435 348 S N -0.248 115.334 115.700 -0.196 0.000 2.382 348 S HA -0.138 4.333 4.470 0.001 0.000 0.228 348 S C 2.075 176.577 174.600 -0.164 0.000 1.027 348 S CA 1.064 59.154 58.200 -0.183 0.000 0.991 348 S CB -0.523 62.601 63.200 -0.126 0.000 0.823 348 S HN 0.654 nan 8.310 nan 0.000 0.469 349 A N 1.231 123.969 122.820 -0.137 0.000 1.933 349 A HA 0.019 4.340 4.320 0.001 0.000 0.218 349 A C 2.079 179.595 177.584 -0.114 0.000 1.175 349 A CA 1.069 53.037 52.037 -0.116 0.000 0.628 349 A CB -0.627 18.312 19.000 -0.102 0.000 0.814 349 A HN 0.458 nan 8.150 nan 0.000 0.444 350 L N -0.829 120.320 121.223 -0.125 0.000 2.093 350 L HA -0.165 4.176 4.340 0.001 0.000 0.208 350 L C 2.496 179.349 176.870 -0.029 0.000 1.085 350 L CA 1.479 56.282 54.840 -0.063 0.000 0.755 350 L CB -0.336 41.716 42.059 -0.011 0.000 0.904 350 L HN 0.338 nan 8.230 nan 0.000 0.435 351 K N -0.082 120.183 120.400 -0.226 0.000 2.148 351 K HA -0.077 4.244 4.320 0.001 0.000 0.204 351 K C 1.984 178.549 176.600 -0.058 0.000 1.050 351 K CA 1.156 57.337 56.287 -0.176 0.000 0.942 351 K CB -0.385 31.917 32.500 -0.330 0.000 0.724 351 K HN 0.360 nan 8.250 nan 0.000 0.446 352 G N 0.373 109.121 108.800 -0.087 0.000 2.679 352 G HA2 -0.082 3.879 3.960 0.001 0.000 0.212 352 G HA3 -0.082 3.879 3.960 0.001 0.000 0.212 352 G C 1.013 175.873 174.900 -0.067 0.000 1.137 352 G CA 0.604 45.660 45.100 -0.074 0.000 0.787 352 G HN 0.307 nan 8.290 nan 0.000 0.534 353 A N 0.565 123.358 122.820 -0.045 0.000 2.538 353 A HA 0.313 4.634 4.320 0.001 0.000 0.269 353 A C 2.066 179.652 177.584 0.003 0.000 1.231 353 A CA 0.325 52.336 52.037 -0.043 0.000 0.948 353 A CB -0.071 18.893 19.000 -0.060 0.000 1.110 353 A HN 0.384 nan 8.150 nan 0.000 0.529 354 R N 0.180 120.702 120.500 0.038 0.000 2.127 354 R HA -0.123 4.218 4.340 0.001 0.000 0.238 354 R C 1.630 177.934 176.300 0.007 0.000 1.134 354 R CA 1.593 57.727 56.100 0.057 0.000 0.975 354 R CB -0.377 29.989 30.300 0.110 0.000 0.865 354 R HN 0.404 nan 8.270 nan 0.000 0.447 355 R N 0.852 121.349 120.500 -0.006 0.000 2.075 355 R HA 0.028 4.369 4.340 0.001 0.000 0.232 355 R C 2.582 178.882 176.300 0.000 0.000 1.126 355 R CA 1.428 57.516 56.100 -0.019 0.000 0.963 355 R CB -0.383 29.907 30.300 -0.017 0.000 0.858 355 R HN 0.352 nan 8.270 nan 0.000 0.435 356 A N 1.108 123.945 122.820 0.029 0.000 1.877 356 A HA -0.144 4.177 4.320 0.001 0.000 0.216 356 A C 2.149 179.792 177.584 0.098 0.000 1.186 356 A CA 1.284 53.382 52.037 0.101 0.000 0.620 356 A CB -0.489 18.521 19.000 0.017 0.000 0.822 356 A HN 0.173 nan 8.150 nan 0.000 0.443 357 I N 0.455 121.056 120.570 0.052 0.000 2.163 357 I HA -0.243 3.928 4.170 0.001 0.000 0.240 357 I C 2.980 179.101 176.117 0.008 0.000 1.081 357 I CA 1.674 63.018 61.300 0.072 0.000 1.353 357 I CB -0.312 37.725 38.000 0.062 0.000 1.054 357 I HN 0.509 nan 8.210 nan 0.000 0.407 358 S N 0.385 116.059 115.700 -0.044 0.000 2.368 358 S HA -0.174 4.297 4.470 0.001 0.000 0.224 358 S C 1.799 176.309 174.600 -0.150 0.000 1.029 358 S CA 1.169 59.308 58.200 -0.101 0.000 0.988 358 S CB -0.512 62.631 63.200 -0.095 0.000 0.838 358 S HN 0.486 nan 8.310 nan 0.000 0.462 359 E N 0.117 120.198 120.200 -0.198 0.000 2.112 359 E HA -0.016 4.335 4.350 0.001 0.000 0.190 359 E C 1.558 177.829 176.600 -0.548 0.000 0.979 359 E CA 1.014 57.175 56.400 -0.399 0.000 0.814 359 E CB -0.052 29.325 29.700 -0.538 0.000 0.762 359 E HN 0.679 nan 8.360 nan 0.000 0.460 360 H N -0.307 118.752 119.070 -0.018 0.000 2.986 360 H HA 0.196 4.752 4.556 0.001 0.000 0.267 360 H C 0.091 175.422 175.328 0.005 0.000 1.072 360 H CA 0.048 56.097 56.048 0.003 0.000 1.202 360 H CB 0.657 30.437 29.762 0.031 0.000 1.535 360 H HN -0.017 nan 8.280 nan 0.000 0.522 361 K N 1.866 122.293 120.400 0.045 0.000 3.689 361 K HA -0.106 4.215 4.320 0.001 0.000 0.276 361 K C -2.685 174.025 176.600 0.183 0.000 0.932 361 K CA -0.166 56.104 56.287 -0.027 0.000 0.758 361 K CB -0.454 31.918 32.500 -0.213 0.000 1.500 361 K HN 0.261 nan 8.250 nan 0.000 0.448 362 P HA 0.065 nan 4.420 nan 0.000 0.274 362 P C -0.546 177.009 177.300 0.425 0.000 1.237 362 P CA -0.118 63.166 63.100 0.307 0.000 0.793 362 P CB 0.610 32.463 31.700 0.256 0.000 0.977 363 K N 0.980 121.631 120.400 0.419 0.000 2.414 363 K HA 0.285 4.606 4.320 0.001 0.000 0.272 363 K C -0.077 176.821 176.600 0.497 0.000 0.993 363 K CA 0.058 56.631 56.287 0.477 0.000 0.964 363 K CB -0.023 32.702 32.500 0.375 0.000 0.925 363 K HN 0.401 nan 8.250 nan 0.000 0.487 364 L N 1.035 122.504 121.223 0.410 0.000 2.401 364 L HA 0.580 4.920 4.340 0.001 0.000 0.266 364 L C -0.801 176.268 176.870 0.333 0.000 0.991 364 L CA -1.040 53.939 54.840 0.232 0.000 0.818 364 L CB 2.155 44.228 42.059 0.023 0.000 1.321 364 L HN 0.645 nan 8.230 nan 0.000 0.413 365 A N 4.200 127.095 122.820 0.124 0.000 2.363 365 A HA 0.755 5.076 4.320 0.001 0.000 0.296 365 A C -0.872 176.680 177.584 -0.052 0.000 1.237 365 A CA -0.343 51.709 52.037 0.025 0.000 0.773 365 A CB 0.509 19.655 19.000 0.244 0.000 1.153 365 A HN 0.457 nan 8.150 nan 0.000 0.473 366 I N 3.023 123.596 120.570 0.004 0.000 2.382 366 I HA 0.251 4.421 4.170 0.001 0.000 0.286 366 I C 0.857 177.057 176.117 0.139 0.000 1.002 366 I CA -0.338 61.006 61.300 0.074 0.000 1.135 366 I CB 1.143 39.222 38.000 0.131 0.000 1.288 366 I HN 0.697 nan 8.210 nan 0.000 0.448 367 S N 4.195 120.025 115.700 0.218 0.000 2.537 367 S HA 0.395 4.866 4.470 0.001 0.000 0.286 367 S C 0.703 175.471 174.600 0.280 0.000 1.299 367 S CA -0.108 58.289 58.200 0.328 0.000 1.067 367 S CB 1.279 64.764 63.200 0.476 0.000 0.864 367 S HN 0.763 nan 8.310 nan 0.000 0.494 368 A N 2.610 125.615 122.820 0.307 0.000 2.589 368 A HA 0.380 4.701 4.320 0.001 0.000 0.283 368 A C 0.530 178.302 177.584 0.314 0.000 1.187 368 A CA -0.405 51.793 52.037 0.269 0.000 0.957 368 A CB -0.373 18.776 19.000 0.247 0.000 1.175 368 A HN 1.153 nan 8.150 nan 0.000 0.532 369 Y N -3.214 117.199 120.300 0.188 0.000 2.507 369 Y HA 0.348 4.899 4.550 0.001 0.000 0.254 369 Y C 1.378 177.458 175.900 0.300 0.000 1.171 369 Y CA -0.274 57.985 58.100 0.265 0.000 1.238 369 Y CB -0.502 38.089 38.460 0.219 0.000 1.148 369 Y HN 0.365 nan 8.280 nan 0.000 0.525 370 H N 1.116 120.151 119.070 -0.057 0.000 2.436 370 H HA 0.290 4.846 4.556 0.001 0.000 0.294 370 H C 0.135 175.629 175.328 0.277 0.000 1.048 370 H CA 0.805 56.873 56.048 0.034 0.000 1.353 370 H CB 0.383 30.077 29.762 -0.114 0.000 1.414 370 H HN 0.301 nan 8.280 nan 0.000 0.536 371 R N -0.116 120.507 120.500 0.206 0.000 2.771 371 R HA 0.150 4.491 4.340 0.001 0.000 0.274 371 R C 1.153 177.111 176.300 -0.570 0.000 0.987 371 R CA 0.038 56.096 56.100 -0.071 0.000 0.908 371 R CB 1.626 31.960 30.300 0.057 0.000 1.213 371 R HN 0.040 nan 8.270 nan 0.000 0.468 372 S N -0.592 114.373 115.700 -1.226 0.000 2.442 372 S HA -0.173 4.297 4.470 0.001 0.000 0.236 372 S C 1.513 175.999 174.600 -0.189 0.000 1.007 372 S CA 1.796 59.433 58.200 -0.938 0.000 0.965 372 S CB -0.365 62.262 63.200 -0.955 0.000 0.773 372 S HN 0.810 nan 8.310 nan 0.000 0.504 373 T N -2.065 112.401 114.554 -0.146 0.000 3.065 373 T HA 0.168 4.518 4.350 0.001 0.000 0.252 373 T C 1.106 175.814 174.700 0.014 0.000 1.099 373 T CA 0.415 62.493 62.100 -0.038 0.000 1.063 373 T CB -0.248 68.578 68.868 -0.069 0.000 0.948 373 T HN 0.143 nan 8.240 nan 0.000 0.506 374 D N 1.761 122.185 120.400 0.040 0.000 2.149 374 D HA 0.006 4.647 4.640 0.001 0.000 0.198 374 D C 1.947 178.325 176.300 0.130 0.000 0.990 374 D CA 0.664 54.716 54.000 0.086 0.000 0.839 374 D CB -0.305 40.564 40.800 0.116 0.000 0.948 374 D HN 0.361 nan 8.370 nan 0.000 0.460 375 L N -0.071 121.261 121.223 0.181 0.000 2.079 375 L HA -0.167 4.174 4.340 0.001 0.000 0.210 375 L C 2.403 179.354 176.870 0.136 0.000 1.081 375 L CA 0.796 55.758 54.840 0.203 0.000 0.752 375 L CB -0.200 42.042 42.059 0.306 0.000 0.896 375 L HN 0.072 nan 8.230 nan 0.000 0.433 376 L N -1.273 119.984 121.223 0.055 0.000 2.102 376 L HA -0.100 4.241 4.340 0.001 0.000 0.202 376 L C 2.180 179.055 176.870 0.008 0.000 1.076 376 L CA 0.685 55.499 54.840 -0.043 0.000 0.761 376 L CB -0.536 41.387 42.059 -0.227 0.000 0.921 376 L HN 0.153 nan 8.230 nan 0.000 0.444 377 D N 0.424 120.831 120.400 0.013 0.000 2.097 377 D HA -0.143 4.498 4.640 0.001 0.000 0.195 377 D C 2.390 178.739 176.300 0.081 0.000 0.989 377 D CA 1.275 55.293 54.000 0.030 0.000 0.827 377 D CB -0.183 40.620 40.800 0.005 0.000 0.966 377 D HN 0.208 nan 8.370 nan 0.000 0.456 378 L N 0.370 121.652 121.223 0.097 0.000 2.056 378 L HA -0.116 4.225 4.340 0.001 0.000 0.207 378 L C 2.484 179.448 176.870 0.156 0.000 1.078 378 L CA 1.153 56.068 54.840 0.124 0.000 0.749 378 L CB -0.788 41.348 42.059 0.128 0.000 0.901 378 L HN 0.008 nan 8.230 nan 0.000 0.433 379 T N -0.338 114.341 114.554 0.209 0.000 2.708 379 T HA -0.138 4.213 4.350 0.001 0.000 0.266 379 T C 1.747 176.534 174.700 0.146 0.000 1.037 379 T CA 1.464 63.733 62.100 0.281 0.000 1.146 379 T CB -0.270 68.740 68.868 0.237 0.000 0.865 379 T HN 0.268 nan 8.240 nan 0.000 0.435 380 N N 0.417 119.175 118.700 0.098 0.000 2.166 380 N HA -0.086 4.655 4.740 0.001 0.000 0.186 380 N C 1.534 177.067 175.510 0.038 0.000 1.019 380 N CA 1.011 54.095 53.050 0.056 0.000 0.856 380 N CB -0.540 37.971 38.487 0.041 0.000 0.993 380 N HN 0.477 nan 8.380 nan 0.000 0.426 381 Y N 1.438 121.727 120.300 -0.018 0.000 2.133 381 Y HA -0.033 4.518 4.550 0.002 0.000 0.287 381 Y C 2.214 178.079 175.900 -0.058 0.000 1.134 381 Y CA 1.259 59.335 58.100 -0.041 0.000 1.133 381 Y CB -0.503 37.925 38.460 -0.053 0.000 0.987 381 Y HN -0.051 nan 8.280 nan 0.000 0.502 382 I N -0.114 120.316 120.570 -0.233 0.000 2.208 382 I HA -0.353 3.817 4.170 0.001 0.000 0.245 382 I C 2.263 178.247 176.117 -0.222 0.000 1.097 382 I CA 1.469 62.563 61.300 -0.344 0.000 1.363 382 I CB -0.423 37.209 38.000 -0.612 0.000 1.051 382 I HN 0.262 nan 8.210 nan 0.000 0.413 383 L N 0.171 121.338 121.223 -0.094 0.000 2.275 383 L HA -0.143 4.198 4.340 0.001 0.000 0.215 383 L C 2.668 179.486 176.870 -0.087 0.000 1.119 383 L CA 1.285 56.120 54.840 -0.009 0.000 0.790 383 L CB -0.593 41.499 42.059 0.054 0.000 0.919 383 L HN 0.376 nan 8.230 nan 0.000 0.443 384 S N 0.415 116.009 115.700 -0.178 0.000 2.453 384 S HA -0.097 4.374 4.470 0.001 0.000 0.231 384 S C 1.741 176.209 174.600 -0.220 0.000 1.005 384 S CA 0.839 58.931 58.200 -0.181 0.000 0.949 384 S CB -0.374 62.712 63.200 -0.190 0.000 0.774 384 S HN 0.617 nan 8.310 nan 0.000 0.510 385 I N -2.522 117.864 120.570 -0.306 0.000 4.035 385 I HA 0.527 4.698 4.170 0.001 0.000 0.321 385 I C 0.777 176.800 176.117 -0.157 0.000 1.289 385 I CA -0.379 60.773 61.300 -0.247 0.000 1.236 385 I CB 0.329 38.129 38.000 -0.333 0.000 1.076 385 I HN 0.079 nan 8.210 nan 0.000 0.418 386 R N 2.101 122.528 120.500 -0.121 0.000 2.928 386 R HA 0.381 4.721 4.340 0.001 0.000 0.248 386 R C -2.431 173.834 176.300 -0.059 0.000 1.796 386 R CA -1.461 54.565 56.100 -0.123 0.000 1.477 386 R CB 0.592 30.801 30.300 -0.151 0.000 1.484 386 R HN -0.074 nan 8.270 nan 0.000 0.623 387 P HA -0.055 nan 4.420 nan 0.000 0.230 387 P C 0.019 177.317 177.300 -0.003 0.000 1.158 387 P CA 0.781 63.873 63.100 -0.013 0.000 0.769 387 P CB 0.287 31.969 31.700 -0.031 0.000 0.807 388 D N -2.117 118.243 120.400 -0.066 0.000 2.328 388 D HA -0.101 4.540 4.640 0.001 0.000 0.226 388 D C 0.189 176.466 176.300 -0.038 0.000 1.066 388 D CA -0.455 53.506 54.000 -0.065 0.000 0.861 388 D CB -1.028 39.712 40.800 -0.101 0.000 0.912 388 D HN 0.082 nan 8.370 nan 0.000 0.521 389 Y N 1.645 121.944 120.300 -0.002 0.000 2.397 389 Y HA 0.165 4.715 4.550 0.001 0.000 0.335 389 Y C 1.317 177.169 175.900 -0.080 0.000 1.213 389 Y CA -0.012 58.090 58.100 0.004 0.000 1.391 389 Y CB 0.575 39.127 38.460 0.153 0.000 1.293 389 Y HN -0.095 nan 8.280 nan 0.000 0.557 390 Q N 3.155 122.914 119.800 -0.067 0.000 2.227 390 Q HA 0.597 4.938 4.340 0.001 0.000 0.245 390 Q C -1.033 174.702 176.000 -0.442 0.000 0.926 390 Q CA -0.579 55.015 55.803 -0.348 0.000 0.895 390 Q CB 1.827 30.145 28.738 -0.699 0.000 1.230 390 Q HN 0.555 nan 8.270 nan 0.000 0.450 391 I N 0.200 120.580 120.570 -0.317 0.000 2.545 391 I HA 0.609 4.779 4.170 0.001 0.000 0.292 391 I C 0.020 176.059 176.117 -0.130 0.000 1.040 391 I CA -0.778 60.311 61.300 -0.352 0.000 1.068 391 I CB 2.259 40.039 38.000 -0.367 0.000 1.251 391 I HN 0.640 nan 8.210 nan 0.000 0.424 392 G N 4.537 113.317 108.800 -0.034 0.000 2.730 392 G HA2 0.826 4.787 3.960 0.001 0.000 0.289 392 G HA3 0.826 4.787 3.960 0.001 0.000 0.289 392 G C -2.034 172.922 174.900 0.093 0.000 1.341 392 G CA -0.595 44.564 45.100 0.098 0.000 0.932 392 G HN 0.416 nan 8.290 nan 0.000 0.481 393 L N -0.207 121.075 121.223 0.099 0.000 2.543 393 L HA 0.756 5.096 4.340 0.001 0.000 0.265 393 L C -1.056 175.846 176.870 0.053 0.000 0.945 393 L CA -0.672 54.235 54.840 0.111 0.000 0.869 393 L CB 1.982 44.047 42.059 0.010 0.000 1.294 393 L HN 0.510 nan 8.230 nan 0.000 0.405 394 R N 2.098 122.699 120.500 0.168 0.000 2.795 394 R HA 0.484 4.825 4.340 0.001 0.000 0.275 394 R C -1.485 174.798 176.300 -0.029 0.000 0.981 394 R CA -0.990 55.073 56.100 -0.061 0.000 0.917 394 R CB 1.825 32.041 30.300 -0.140 0.000 1.202 394 R HN 0.779 nan 8.270 nan 0.000 0.469 395 H N 1.143 120.066 119.070 -0.244 0.000 2.511 395 H HA 0.349 4.905 4.556 0.001 0.000 0.328 395 H C -0.142 175.041 175.328 -0.242 0.000 1.044 395 H CA -0.179 55.796 56.048 -0.121 0.000 1.212 395 H CB 0.578 30.335 29.762 -0.008 0.000 1.428 395 H HN 0.487 nan 8.280 nan 0.000 0.483 396 H N 3.788 122.570 119.070 -0.479 0.000 2.528 396 H HA 0.167 4.723 4.556 0.001 0.000 0.282 396 H C -0.036 175.189 175.328 -0.172 0.000 1.097 396 H CA 0.417 56.326 56.048 -0.231 0.000 1.121 396 H CB 0.468 30.134 29.762 -0.161 0.000 1.590 396 H HN 0.656 nan 8.280 nan 0.000 0.553 397 T N -2.907 111.491 114.554 -0.261 0.000 2.883 397 T HA 0.248 4.599 4.350 0.001 0.000 0.296 397 T C -2.497 172.212 174.700 0.015 0.000 1.117 397 T CA -2.087 59.980 62.100 -0.055 0.000 1.006 397 T CB 2.810 71.649 68.868 -0.048 0.000 1.191 397 T HN -0.286 nan 8.240 nan 0.000 0.508 398 P HA 0.238 nan 4.420 nan 0.000 0.242 398 P C -0.182 177.138 177.300 0.033 0.000 1.197 398 P CA 0.591 63.809 63.100 0.198 0.000 0.765 398 P CB 0.154 32.012 31.700 0.263 0.000 0.936 399 D N -0.731 119.530 120.400 -0.231 0.000 2.726 399 D HA 0.186 4.826 4.640 0.001 0.000 0.241 399 D C 1.118 176.717 176.300 -1.169 0.000 1.150 399 D CA -0.560 53.056 54.000 -0.639 0.000 1.089 399 D CB 1.123 41.599 40.800 -0.539 0.000 1.260 399 D HN -0.143 nan 8.370 nan 0.000 0.637 400 R N -0.399 119.217 120.500 -1.472 0.000 2.310 400 R HA 0.156 4.497 4.340 0.001 0.000 0.202 400 R C 0.015 175.868 176.300 -0.746 0.000 0.933 400 R CA -0.247 55.099 56.100 -1.256 0.000 1.054 400 R CB -0.297 29.511 30.300 -0.821 0.000 0.985 400 R HN 0.173 nan 8.270 nan 0.000 0.489 401 W N 1.854 122.895 121.300 -0.430 0.000 2.303 401 W HA 0.289 4.950 4.660 0.001 0.000 0.334 401 W C -0.069 175.961 176.519 -0.815 0.000 1.197 401 W CA -0.840 56.001 57.345 -0.840 0.000 1.262 401 W CB 0.529 29.651 29.460 -0.563 0.000 1.153 401 W HN 0.039 nan 8.180 nan 0.000 0.596 402 D N 0.531 120.405 120.400 -0.877 0.000 2.775 402 D HA -0.138 4.503 4.640 0.001 0.000 0.235 402 D C -0.487 175.741 176.300 -0.120 0.000 1.120 402 D CA 0.812 54.644 54.000 -0.280 0.000 0.708 402 D CB -1.740 39.006 40.800 -0.091 0.000 1.084 402 D HN 0.318 nan 8.370 nan 0.000 0.434 403 T N 0.854 115.464 114.554 0.094 0.000 2.814 403 T HA 0.321 4.672 4.350 0.001 0.000 0.297 403 T C 0.374 175.255 174.700 0.301 0.000 0.956 403 T CA -0.115 62.167 62.100 0.303 0.000 1.123 403 T CB 1.591 70.746 68.868 0.478 0.000 0.902 403 T HN 0.411 nan 8.240 nan 0.000 0.528 404 C N 5.544 124.982 119.300 0.231 0.000 2.482 404 C HA 0.657 5.118 4.460 0.001 0.000 0.317 404 C C -0.472 174.489 174.990 -0.048 0.000 1.197 404 C CA -0.999 58.078 59.018 0.099 0.000 1.432 404 C CB -0.272 27.476 27.740 0.012 0.000 2.062 404 C HN 0.894 nan 8.230 nan 0.000 0.471 405 L N 5.227 126.397 121.223 -0.089 0.000 2.350 405 L HA 0.476 4.817 4.340 0.001 0.000 0.275 405 L C -0.934 175.722 176.870 -0.356 0.000 1.099 405 L CA -0.161 54.595 54.840 -0.141 0.000 0.808 405 L CB 0.732 42.784 42.059 -0.013 0.000 1.149 405 L HN 0.619 nan 8.230 nan 0.000 0.442 406 Y N 2.241 122.492 120.300 -0.082 0.000 2.376 406 Y HA 0.539 5.090 4.550 0.001 0.000 0.340 406 Y C -0.647 175.142 175.900 -0.185 0.000 0.965 406 Y CA -0.498 57.635 58.100 0.055 0.000 1.078 406 Y CB 1.550 40.105 38.460 0.158 0.000 1.193 406 Y HN 0.238 nan 8.280 nan 0.000 0.452 407 F N 3.771 123.833 119.950 0.186 0.000 2.518 407 F HA 0.577 5.105 4.527 0.001 0.000 0.323 407 F C -0.631 175.266 175.800 0.162 0.000 1.129 407 F CA -1.244 56.690 58.000 -0.109 0.000 0.920 407 F CB 1.305 39.865 39.000 -0.733 0.000 1.160 407 F HN 0.464 nan 8.300 nan 0.000 0.440 408 Y N 0.000 120.513 120.300 0.355 0.000 2.660 408 Y HA 0.000 4.551 4.550 0.001 0.000 0.201 408 Y CA 0.000 58.313 58.100 0.355 0.000 1.940 408 Y CB 0.000 38.559 38.460 0.165 0.000 1.050 408 Y HN 0.000 nan 8.280 nan 0.000 0.758