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 2ft3_1_B DATA FIRST_RESID 25 DATA SEQUENCE AMcPFGcHcH LRVVQcSDLG LKAVPKEISP DTTLLDLQNN DISELRKDDF DATA SEQUENCE KGLQHLYALV LVNNKISKIH EKAFSPLRKL QKLYISKNHL VEIPPNLPSS DATA SEQUENCE LVELRIHDNR IRKVPKGVFS GLRNMNCIEM GGNPLENSGF EPGAFDGLKL DATA SEQUENCE NYLRISEAKL TGIPKDLPET LNELHLDHNK IQAIELEDLL RYSKLYRLGL DATA SEQUENCE GHNQIRMIEN GSLSFLPTLR ELHLDNNKLS RVPAGLPDLK LLQVVYLHTN DATA SEQUENCE NITKVGVNDF cPVGFGVKRA YYNGISLFNN PVPYWEVQPA TFRcVTDRLA DATA SEQUENCE IQF 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 25 A HA 0.000 nan 4.320 nan 0.000 0.244 25 A C 0.000 177.592 177.584 0.013 0.000 1.274 25 A CA 0.000 52.045 52.037 0.014 0.000 0.836 25 A CB 0.000 19.010 19.000 0.017 0.000 0.831 26 M N 1.329 120.934 119.600 0.008 0.000 2.184 26 M HA 0.163 4.644 4.480 0.001 0.000 0.296 26 M C 1.057 177.361 176.300 0.006 0.000 1.165 26 M CA 0.321 55.621 55.300 0.000 0.000 1.175 26 M CB 0.273 32.868 32.600 -0.008 0.000 1.392 26 M HN 1.002 nan 8.290 nan 0.000 0.457 27 c N 0.516 119.114 118.600 -0.003 0.000 2.403 27 c HA 0.666 5.236 4.570 0.001 0.000 0.361 27 c C -2.146 171.957 174.090 0.022 0.000 1.274 27 c CA -1.843 54.492 56.329 0.010 0.000 2.433 27 c CB -0.463 42.053 42.510 0.010 0.000 2.323 27 c HN 0.538 nan 8.230 nan 0.000 0.614 28 P HA 0.041 nan 4.420 nan 0.000 0.269 28 P C 0.487 177.850 177.300 0.105 0.000 1.211 28 P CA 0.061 63.209 63.100 0.081 0.000 0.781 28 P CB 0.199 31.944 31.700 0.074 0.000 0.877 29 F N 1.955 121.913 119.950 0.014 0.000 2.000 29 F HA -0.186 4.342 4.527 0.001 0.000 0.296 29 F C 2.426 178.241 175.800 0.025 0.000 1.159 29 F CA 2.749 60.758 58.000 0.016 0.000 1.183 29 F CB -1.122 37.884 39.000 0.010 0.000 0.959 29 F HN 0.412 nan 8.300 nan 0.000 0.490 30 G N -0.227 108.738 108.800 0.274 0.000 2.475 30 G HA2 -0.273 3.687 3.960 0.001 0.000 0.220 30 G HA3 -0.273 3.687 3.960 0.001 0.000 0.220 30 G C 0.494 175.416 174.900 0.035 0.000 1.125 30 G CA 0.880 46.063 45.100 0.139 0.000 0.755 30 G HN 0.454 nan 8.290 nan 0.000 0.565 31 c N 0.865 119.493 118.600 0.046 0.000 2.679 31 c HA 0.387 4.958 4.570 0.001 0.000 0.417 31 c C 0.564 174.684 174.090 0.051 0.000 1.302 31 c CA -0.935 55.429 56.329 0.057 0.000 1.973 31 c CB -0.107 42.438 42.510 0.059 0.000 2.715 31 c HN 0.542 nan 8.230 nan 0.000 0.628 32 H N 1.621 120.680 119.070 -0.018 0.000 2.621 32 H HA 0.692 5.248 4.556 0.001 0.000 0.360 32 H C -0.681 174.654 175.328 0.012 0.000 1.163 32 H CA -0.398 55.637 56.048 -0.022 0.000 1.194 32 H CB 1.858 31.606 29.762 -0.023 0.000 1.649 32 H HN 1.008 nan 8.280 nan 0.000 0.532 33 c N 2.763 121.119 118.600 -0.407 0.000 3.292 33 c HA 0.558 5.129 4.570 0.001 0.000 0.368 33 c C -1.719 172.278 174.090 -0.154 0.000 1.141 33 c CA -0.879 55.391 56.329 -0.099 0.000 1.194 33 c CB 0.566 43.075 42.510 -0.002 0.000 1.533 33 c HN 1.068 nan 8.230 nan 0.000 0.532 34 H N 2.047 121.056 119.070 -0.103 0.000 3.026 34 H HA 0.624 5.181 4.556 0.001 0.000 0.352 34 H C 0.020 175.339 175.328 -0.016 0.000 1.090 34 H CA -0.755 55.247 56.048 -0.077 0.000 1.268 34 H CB 1.049 30.812 29.762 0.002 0.000 1.816 34 H HN 1.212 nan 8.280 nan 0.000 0.518 35 L N 5.293 126.327 121.223 -0.316 0.000 3.677 35 L HA -0.378 3.963 4.340 0.001 0.000 0.464 35 L C 0.334 177.127 176.870 -0.127 0.000 1.278 35 L CA 1.071 55.734 54.840 -0.294 0.000 0.806 35 L CB -1.273 40.513 42.059 -0.456 0.000 1.610 35 L HN 0.940 nan 8.230 nan 0.000 0.867 36 R N -3.727 116.734 120.500 -0.065 0.000 3.892 36 R HA -0.156 4.185 4.340 0.001 0.000 0.441 36 R C -0.082 176.225 176.300 0.013 0.000 1.052 36 R CA 1.035 57.123 56.100 -0.021 0.000 1.190 36 R CB -1.759 28.521 30.300 -0.032 0.000 1.808 36 R HN 0.274 nan 8.270 nan 0.000 0.538 37 V N 1.626 121.554 119.914 0.025 0.000 2.347 37 V HA 0.410 4.531 4.120 0.001 0.000 0.280 37 V C 0.457 176.600 176.094 0.082 0.000 1.021 37 V CA -0.710 61.628 62.300 0.063 0.000 0.847 37 V CB 1.969 33.842 31.823 0.084 0.000 0.990 37 V HN -0.025 nan 8.190 nan 0.000 0.444 38 V N 4.811 124.772 119.914 0.079 0.000 2.347 38 V HA 0.393 4.514 4.120 0.001 0.000 0.280 38 V C -0.074 176.080 176.094 0.099 0.000 1.021 38 V CA -0.428 61.923 62.300 0.083 0.000 0.847 38 V CB 1.550 33.416 31.823 0.072 0.000 0.990 38 V HN 0.939 nan 8.190 nan 0.000 0.444 39 Q N 4.460 124.335 119.800 0.126 0.000 2.400 39 Q HA 0.366 4.707 4.340 0.001 0.000 0.255 39 Q C -0.785 175.274 176.000 0.098 0.000 1.008 39 Q CA -0.114 55.758 55.803 0.115 0.000 0.841 39 Q CB 1.006 29.827 28.738 0.138 0.000 1.220 39 Q HN 0.721 nan 8.270 nan 0.000 0.474 40 c N 3.644 122.294 118.600 0.082 0.000 2.842 40 c HA 0.585 5.156 4.570 0.001 0.000 0.311 40 c C -0.407 173.723 174.090 0.067 0.000 1.312 40 c CA -0.450 55.925 56.329 0.076 0.000 1.651 40 c CB -1.067 41.490 42.510 0.078 0.000 1.826 40 c HN 0.754 nan 8.230 nan 0.000 0.491 41 S N 1.204 116.938 115.700 0.057 0.000 2.501 41 S HA 0.481 4.952 4.470 0.001 0.000 0.301 41 S C -0.048 174.579 174.600 0.044 0.000 1.096 41 S CA -0.415 57.815 58.200 0.050 0.000 1.063 41 S CB 1.090 64.316 63.200 0.044 0.000 1.042 41 S HN 0.698 nan 8.310 nan 0.000 0.494 42 D N 0.341 120.767 120.400 0.044 0.000 3.041 42 D HA -0.132 4.509 4.640 0.001 0.000 0.220 42 D C 0.377 176.701 176.300 0.041 0.000 1.157 42 D CA 0.534 54.557 54.000 0.038 0.000 0.876 42 D CB -1.401 39.417 40.800 0.031 0.000 1.107 42 D HN 0.450 nan 8.370 nan 0.000 0.422 43 L N -0.316 120.936 121.223 0.049 0.000 2.529 43 L HA 0.201 4.542 4.340 0.001 0.000 0.223 43 L C 1.627 178.524 176.870 0.045 0.000 1.113 43 L CA 0.734 55.608 54.840 0.056 0.000 0.861 43 L CB 0.092 42.194 42.059 0.071 0.000 1.012 43 L HN 0.262 nan 8.230 nan 0.000 0.461 44 G N 1.944 110.767 108.800 0.038 0.000 2.367 44 G HA2 -0.263 3.698 3.960 0.001 0.000 0.295 44 G HA3 -0.263 3.698 3.960 0.001 0.000 0.295 44 G C -0.042 174.872 174.900 0.024 0.000 1.019 44 G CA -0.163 44.955 45.100 0.029 0.000 1.224 44 G HN 0.207 nan 8.290 nan 0.000 0.510 45 L N -0.038 121.201 121.223 0.027 0.000 2.367 45 L HA 0.253 4.593 4.340 0.001 0.000 0.275 45 L C 1.953 178.826 176.870 0.004 0.000 1.129 45 L CA -0.151 54.701 54.840 0.019 0.000 0.839 45 L CB 0.829 42.904 42.059 0.026 0.000 1.133 45 L HN 0.602 nan 8.230 nan 0.000 0.453 46 K N 2.390 122.786 120.400 -0.007 0.000 2.103 46 K HA 0.031 4.352 4.320 0.001 0.000 0.207 46 K C 0.651 177.234 176.600 -0.027 0.000 1.048 46 K CA 1.318 57.594 56.287 -0.019 0.000 0.930 46 K CB 0.022 32.508 32.500 -0.024 0.000 0.716 46 K HN 0.636 nan 8.250 nan 0.000 0.444 47 A N 0.190 122.990 122.820 -0.032 0.000 2.533 47 A HA 0.518 4.839 4.320 0.001 0.000 0.293 47 A C -1.120 176.430 177.584 -0.056 0.000 1.228 47 A CA -0.860 51.145 52.037 -0.053 0.000 0.689 47 A CB 1.170 20.125 19.000 -0.075 0.000 1.303 47 A HN -0.050 nan 8.150 nan 0.000 0.444 48 V N 3.069 122.919 119.914 -0.107 0.000 2.485 48 V HA 0.240 4.360 4.120 0.001 0.000 0.287 48 V C -1.773 174.258 176.094 -0.106 0.000 1.022 48 V CA -0.429 61.795 62.300 -0.126 0.000 1.067 48 V CB 0.050 31.666 31.823 -0.345 0.000 0.967 48 V HN 0.739 nan 8.190 nan 0.000 0.479 49 P HA 0.195 nan 4.420 nan 0.000 0.271 49 P C 0.253 177.533 177.300 -0.034 0.000 1.218 49 P CA -0.372 62.715 63.100 -0.022 0.000 0.780 49 P CB 1.052 32.765 31.700 0.020 0.000 0.901 50 K N 0.481 120.864 120.400 -0.029 0.000 2.155 50 K HA -0.025 4.296 4.320 0.001 0.000 0.203 50 K C 0.570 177.166 176.600 -0.008 0.000 1.052 50 K CA 0.921 57.189 56.287 -0.032 0.000 0.948 50 K CB 0.092 32.575 32.500 -0.029 0.000 0.728 50 K HN 0.423 nan 8.250 nan 0.000 0.448 51 E N 1.612 121.817 120.200 0.009 0.000 1.856 51 E HA 0.177 4.528 4.350 0.001 0.000 0.263 51 E C -0.711 175.906 176.600 0.027 0.000 1.137 51 E CA 0.170 56.582 56.400 0.019 0.000 1.007 51 E CB -0.082 29.634 29.700 0.027 0.000 1.117 51 E HN 0.245 nan 8.360 nan 0.000 0.438 52 I N 1.224 121.812 120.570 0.031 0.000 2.439 52 I HA 0.117 4.287 4.170 0.001 0.000 0.283 52 I C 0.522 176.667 176.117 0.047 0.000 1.023 52 I CA -0.891 60.437 61.300 0.047 0.000 1.100 52 I CB 1.753 39.795 38.000 0.070 0.000 1.238 52 I HN 0.065 nan 8.210 nan 0.000 0.445 53 S N 7.164 122.888 115.700 0.041 0.000 2.563 53 S HA 0.114 4.585 4.470 0.001 0.000 0.294 53 S C -1.502 173.130 174.600 0.053 0.000 1.279 53 S CA -0.513 57.710 58.200 0.039 0.000 1.069 53 S CB 0.751 63.969 63.200 0.030 0.000 0.828 53 S HN 0.418 nan 8.310 nan 0.000 0.497 54 P HA -0.019 nan 4.420 nan 0.000 0.222 54 P C 0.594 177.954 177.300 0.100 0.000 1.147 54 P CA 0.778 63.916 63.100 0.063 0.000 0.790 54 P CB 0.022 31.749 31.700 0.045 0.000 0.780 55 D N -1.265 119.187 120.400 0.086 0.000 2.265 55 D HA -0.085 4.555 4.640 0.001 0.000 0.208 55 D C 0.464 176.806 176.300 0.069 0.000 0.977 55 D CA 1.030 55.078 54.000 0.081 0.000 0.871 55 D CB -1.304 39.515 40.800 0.032 0.000 0.925 55 D HN 0.139 nan 8.370 nan 0.000 0.485 56 T N -0.221 114.375 114.554 0.071 0.000 2.905 56 T HA 0.058 4.409 4.350 0.001 0.000 0.299 56 T C 1.367 176.118 174.700 0.086 0.000 1.024 56 T CA 0.781 62.922 62.100 0.068 0.000 1.151 56 T CB 1.231 70.143 68.868 0.073 0.000 0.987 56 T HN 0.110 nan 8.240 nan 0.000 0.535 57 T N 2.807 117.406 114.554 0.074 0.000 2.987 57 T HA 0.310 4.661 4.350 0.001 0.000 0.248 57 T C 0.182 174.955 174.700 0.122 0.000 0.997 57 T CA -0.054 62.106 62.100 0.100 0.000 1.013 57 T CB 0.160 69.066 68.868 0.063 0.000 1.077 57 T HN 0.227 nan 8.240 nan 0.000 0.483 58 L N 1.992 123.267 121.223 0.088 0.000 2.334 58 L HA 0.640 4.980 4.340 0.001 0.000 0.276 58 L C -0.861 176.037 176.870 0.047 0.000 1.014 58 L CA -0.658 54.217 54.840 0.058 0.000 0.815 58 L CB 2.104 44.200 42.059 0.061 0.000 1.268 58 L HN 0.202 nan 8.230 nan 0.000 0.428 59 L N 3.159 124.396 121.223 0.024 0.000 2.485 59 L HA 0.371 4.712 4.340 0.001 0.000 0.260 59 L C -1.355 175.543 176.870 0.048 0.000 0.998 59 L CA -0.340 54.535 54.840 0.060 0.000 0.883 59 L CB 1.286 43.397 42.059 0.087 0.000 1.196 59 L HN 0.551 nan 8.230 nan 0.000 0.443 60 D N 6.003 126.438 120.400 0.058 0.000 2.411 60 D HA 0.276 4.916 4.640 0.001 0.000 0.225 60 D C -0.198 176.148 176.300 0.076 0.000 1.156 60 D CA -0.088 53.947 54.000 0.058 0.000 0.874 60 D CB 0.652 41.485 40.800 0.055 0.000 1.034 60 D HN 0.534 nan 8.370 nan 0.000 0.502 61 L N 1.714 122.990 121.223 0.087 0.000 2.529 61 L HA 0.506 4.846 4.340 0.001 0.000 0.246 61 L C -0.520 176.402 176.870 0.087 0.000 1.394 61 L CA -0.854 54.040 54.840 0.090 0.000 0.906 61 L CB 0.912 43.033 42.059 0.104 0.000 1.170 61 L HN 0.065 nan 8.230 nan 0.000 0.501 62 Q N 2.262 122.107 119.800 0.075 0.000 2.230 62 Q HA 0.275 4.616 4.340 0.001 0.000 0.253 62 Q C 0.109 176.146 176.000 0.061 0.000 0.919 62 Q CA -0.326 55.520 55.803 0.073 0.000 0.908 62 Q CB 1.279 30.059 28.738 0.069 0.000 1.245 62 Q HN 0.683 nan 8.270 nan 0.000 0.437 63 N N 2.186 120.923 118.700 0.061 0.000 2.726 63 N HA -0.188 4.553 4.740 0.001 0.000 0.253 63 N C -1.638 173.900 175.510 0.048 0.000 1.059 63 N CA 0.841 53.922 53.050 0.052 0.000 0.701 63 N CB -0.718 37.795 38.487 0.043 0.000 0.899 63 N HN 0.747 nan 8.380 nan 0.000 0.548 64 N N -0.203 118.526 118.700 0.050 0.000 3.312 64 N HA 0.324 5.065 4.740 0.001 0.000 0.361 64 N C -0.704 174.825 175.510 0.032 0.000 1.476 64 N CA -0.452 52.622 53.050 0.041 0.000 0.669 64 N CB 0.441 38.954 38.487 0.043 0.000 1.629 64 N HN 0.208 nan 8.380 nan 0.000 0.612 65 D N 0.737 121.148 120.400 0.020 0.000 2.623 65 D HA 0.317 4.957 4.640 0.001 0.000 0.252 65 D C -0.038 176.257 176.300 -0.009 0.000 1.294 65 D CA -0.065 53.938 54.000 0.004 0.000 0.824 65 D CB 0.963 41.761 40.800 -0.004 0.000 1.070 65 D HN 0.338 nan 8.370 nan 0.000 0.487 66 I N 1.309 121.882 120.570 0.004 0.000 2.826 66 I HA -0.144 4.027 4.170 0.001 0.000 0.295 66 I C 1.320 177.426 176.117 -0.019 0.000 1.213 66 I CA 0.699 61.997 61.300 -0.004 0.000 1.436 66 I CB 0.712 38.724 38.000 0.020 0.000 1.348 66 I HN -0.116 nan 8.210 nan 0.000 0.570 67 S N 3.903 119.581 115.700 -0.036 0.000 2.575 67 S HA 0.131 4.602 4.470 0.001 0.000 0.230 67 S C 0.018 174.595 174.600 -0.038 0.000 1.062 67 S CA -0.367 57.800 58.200 -0.054 0.000 0.913 67 S CB 0.337 63.498 63.200 -0.065 0.000 0.837 67 S HN 0.824 nan 8.310 nan 0.000 0.487 68 E N 0.535 120.714 120.200 -0.036 0.000 2.445 68 E HA 0.588 4.939 4.350 0.001 0.000 0.279 68 E C -1.871 174.698 176.600 -0.053 0.000 1.018 68 E CA -1.101 55.279 56.400 -0.032 0.000 0.816 68 E CB 0.857 30.538 29.700 -0.032 0.000 1.356 68 E HN -0.152 nan 8.360 nan 0.000 0.462 69 L N 1.573 122.760 121.223 -0.059 0.000 2.319 69 L HA 0.488 4.828 4.340 0.001 0.000 0.281 69 L C -0.016 176.786 176.870 -0.114 0.000 1.005 69 L CA -0.500 54.268 54.840 -0.120 0.000 0.828 69 L CB 0.835 42.828 42.059 -0.109 0.000 1.227 69 L HN 0.577 nan 8.230 nan 0.000 0.415 70 R N 1.635 122.033 120.500 -0.171 0.000 2.500 70 R HA 0.259 4.599 4.340 0.001 0.000 0.277 70 R C 1.134 177.265 176.300 -0.280 0.000 1.026 70 R CA -0.692 55.317 56.100 -0.152 0.000 1.058 70 R CB 1.865 32.080 30.300 -0.141 0.000 1.078 70 R HN 0.499 nan 8.270 nan 0.000 0.509 71 K N 1.385 121.466 120.400 -0.533 0.000 2.044 71 K HA -0.261 4.059 4.320 0.001 0.000 0.224 71 K C 0.218 176.631 176.600 -0.311 0.000 1.056 71 K CA 2.230 58.088 56.287 -0.716 0.000 0.962 71 K CB 0.011 32.029 32.500 -0.804 0.000 0.730 71 K HN 0.551 nan 8.250 nan 0.000 0.453 72 D N 0.337 120.597 120.400 -0.233 0.000 2.358 72 D HA -0.023 4.617 4.640 0.001 0.000 0.224 72 D C 0.796 176.997 176.300 -0.165 0.000 1.123 72 D CA 0.069 53.981 54.000 -0.146 0.000 0.833 72 D CB 0.251 40.983 40.800 -0.113 0.000 0.946 72 D HN 0.260 nan 8.370 nan 0.000 0.505 73 D N 0.170 120.412 120.400 -0.264 0.000 2.133 73 D HA -0.161 4.480 4.640 0.001 0.000 0.195 73 D C 0.878 176.878 176.300 -0.500 0.000 0.997 73 D CA 1.002 54.732 54.000 -0.451 0.000 0.840 73 D CB 0.038 40.434 40.800 -0.673 0.000 0.947 73 D HN 0.261 nan 8.370 nan 0.000 0.452 74 F N -0.154 119.765 119.950 -0.053 0.000 2.668 74 F HA 0.232 4.760 4.527 0.001 0.000 0.301 74 F C 0.784 176.576 175.800 -0.014 0.000 1.106 74 F CA -0.681 57.310 58.000 -0.015 0.000 1.289 74 F CB 0.230 39.240 39.000 0.017 0.000 1.006 74 F HN -0.356 nan 8.300 nan 0.000 0.535 75 K N 0.892 121.348 120.400 0.093 0.000 2.530 75 K HA 0.170 4.490 4.320 0.001 0.000 0.280 75 K C 1.277 177.910 176.600 0.055 0.000 1.004 75 K CA 1.184 57.504 56.287 0.055 0.000 1.071 75 K CB 0.114 32.615 32.500 0.002 0.000 0.876 75 K HN 0.455 nan 8.250 nan 0.000 0.487 76 G N 3.275 112.099 108.800 0.040 0.000 2.176 76 G HA2 -0.225 3.735 3.960 0.001 0.000 0.252 76 G HA3 -0.225 3.735 3.960 0.001 0.000 0.252 76 G C -0.248 174.670 174.900 0.030 0.000 1.024 76 G CA 0.058 45.170 45.100 0.020 0.000 0.755 76 G HN 0.465 nan 8.290 nan 0.000 0.507 77 L N 0.647 121.905 121.223 0.058 0.000 2.828 77 L HA 0.351 4.692 4.340 0.001 0.000 0.233 77 L C 1.737 178.615 176.870 0.014 0.000 1.250 77 L CA 0.216 55.091 54.840 0.059 0.000 1.125 77 L CB 0.584 42.710 42.059 0.112 0.000 1.432 77 L HN 0.404 nan 8.230 nan 0.000 0.444 78 Q N -1.237 118.527 119.800 -0.059 0.000 2.488 78 Q HA -0.053 4.287 4.340 0.001 0.000 0.211 78 Q C 0.614 176.522 176.000 -0.153 0.000 0.967 78 Q CA 0.943 56.666 55.803 -0.135 0.000 0.926 78 Q CB 0.098 28.692 28.738 -0.241 0.000 0.992 78 Q HN 0.693 nan 8.270 nan 0.000 0.506 79 H N -0.742 118.341 119.070 0.022 0.000 2.652 79 H HA 0.127 4.683 4.556 0.001 0.000 0.274 79 H C -0.324 175.026 175.328 0.037 0.000 1.021 79 H CA -0.698 55.362 56.048 0.021 0.000 1.187 79 H CB 0.666 30.434 29.762 0.010 0.000 1.505 79 H HN 0.026 nan 8.280 nan 0.000 0.530 80 L N 1.748 123.042 121.223 0.118 0.000 2.534 80 L HA -0.123 4.218 4.340 0.001 0.000 0.271 80 L C 0.794 177.716 176.870 0.087 0.000 1.178 80 L CA 0.448 55.334 54.840 0.077 0.000 0.907 80 L CB 0.008 42.070 42.059 0.004 0.000 1.164 80 L HN 0.254 nan 8.230 nan 0.000 0.482 81 Y N 5.570 125.846 120.300 -0.040 0.000 2.353 81 Y HA 0.559 5.110 4.550 0.001 0.000 0.294 81 Y C 0.440 176.271 175.900 -0.116 0.000 1.135 81 Y CA 0.500 58.562 58.100 -0.063 0.000 1.176 81 Y CB 0.181 38.611 38.460 -0.050 0.000 1.124 81 Y HN 0.576 nan 8.280 nan 0.000 0.537 82 A N 1.323 123.862 122.820 -0.468 0.000 2.374 82 A HA 0.616 4.937 4.320 0.001 0.000 0.305 82 A C -2.133 175.245 177.584 -0.343 0.000 1.053 82 A CA -0.601 51.064 52.037 -0.619 0.000 0.726 82 A CB 1.208 19.712 19.000 -0.827 0.000 1.229 82 A HN 0.394 nan 8.150 nan 0.000 0.431 83 L N 2.751 123.774 121.223 -0.335 0.000 2.365 83 L HA 0.815 5.156 4.340 0.001 0.000 0.273 83 L C -1.321 175.445 176.870 -0.173 0.000 1.000 83 L CA -0.480 54.238 54.840 -0.203 0.000 0.819 83 L CB 2.084 44.010 42.059 -0.222 0.000 1.284 83 L HN 0.379 nan 8.230 nan 0.000 0.418 84 V N 7.170 127.049 119.914 -0.058 0.000 2.325 84 V HA 0.331 4.452 4.120 0.001 0.000 0.280 84 V C 0.489 176.638 176.094 0.092 0.000 1.016 84 V CA -0.128 62.181 62.300 0.015 0.000 0.818 84 V CB 1.145 32.986 31.823 0.028 0.000 1.019 84 V HN 0.796 nan 8.190 nan 0.000 0.434 85 L N 4.181 125.479 121.223 0.125 0.000 2.808 85 L HA 0.267 4.607 4.340 0.001 0.000 0.246 85 L C 0.511 177.461 176.870 0.134 0.000 1.153 85 L CA -0.035 54.892 54.840 0.146 0.000 0.956 85 L CB 0.907 43.080 42.059 0.189 0.000 1.270 85 L HN 0.446 nan 8.230 nan 0.000 0.528 86 V N 0.752 120.746 119.914 0.133 0.000 3.083 86 V HA -0.130 3.991 4.120 0.001 0.000 0.303 86 V C 1.177 177.326 176.094 0.091 0.000 1.151 86 V CA 0.272 62.639 62.300 0.112 0.000 1.275 86 V CB -0.013 31.869 31.823 0.098 0.000 0.950 86 V HN 0.699 nan 8.190 nan 0.000 0.506 87 N N 2.191 120.940 118.700 0.083 0.000 2.738 87 N HA -0.190 4.550 4.740 0.001 0.000 0.249 87 N C -0.419 175.140 175.510 0.081 0.000 1.047 87 N CA 0.888 53.983 53.050 0.075 0.000 0.707 87 N CB -1.001 37.519 38.487 0.056 0.000 0.937 87 N HN 0.909 nan 8.380 nan 0.000 0.545 88 N N 0.072 118.831 118.700 0.098 0.000 2.761 88 N HA 0.387 5.128 4.740 0.001 0.000 0.283 88 N C -0.400 175.175 175.510 0.108 0.000 1.377 88 N CA -0.505 52.597 53.050 0.087 0.000 0.791 88 N CB 0.825 39.362 38.487 0.083 0.000 1.540 88 N HN 0.304 nan 8.380 nan 0.000 0.539 89 K N 0.850 121.278 120.400 0.046 0.000 2.901 89 K HA 0.460 4.780 4.320 0.001 0.000 0.199 89 K C -0.215 176.339 176.600 -0.077 0.000 1.140 89 K CA -0.271 55.999 56.287 -0.028 0.000 1.030 89 K CB -0.055 32.292 32.500 -0.255 0.000 1.437 89 K HN 0.371 nan 8.250 nan 0.000 0.552 90 I N 1.812 122.412 120.570 0.050 0.000 2.638 90 I HA -0.064 4.107 4.170 0.001 0.000 0.286 90 I C 1.053 177.204 176.117 0.057 0.000 1.088 90 I CA 0.247 61.573 61.300 0.043 0.000 1.397 90 I CB 1.398 39.450 38.000 0.086 0.000 1.414 90 I HN 0.712 nan 8.210 nan 0.000 0.566 91 S N 3.273 118.988 115.700 0.026 0.000 2.615 91 S HA 0.276 4.747 4.470 0.001 0.000 0.277 91 S C 0.066 174.679 174.600 0.021 0.000 1.068 91 S CA -0.559 57.664 58.200 0.039 0.000 1.315 91 S CB 0.314 63.520 63.200 0.009 0.000 1.193 91 S HN 0.562 nan 8.310 nan 0.000 0.656 92 K N 1.213 121.617 120.400 0.007 0.000 2.471 92 K HA 0.600 4.920 4.320 0.001 0.000 0.252 92 K C -1.694 174.904 176.600 -0.003 0.000 0.938 92 K CA -0.344 55.941 56.287 -0.003 0.000 0.796 92 K CB 2.212 34.703 32.500 -0.016 0.000 1.161 92 K HN 0.246 nan 8.250 nan 0.000 0.425 93 I N 3.246 123.813 120.570 -0.004 0.000 2.420 93 I HA 0.132 4.303 4.170 0.001 0.000 0.282 93 I C 0.167 176.282 176.117 -0.004 0.000 1.019 93 I CA -0.866 60.419 61.300 -0.024 0.000 1.130 93 I CB 0.831 38.813 38.000 -0.030 0.000 1.262 93 I HN 0.625 nan 8.210 nan 0.000 0.454 94 H N 6.462 125.471 119.070 -0.101 0.000 3.119 94 H HA -0.050 4.508 4.556 0.002 0.000 0.334 94 H C 0.902 176.185 175.328 -0.075 0.000 1.042 94 H CA 1.273 57.272 56.048 -0.081 0.000 1.354 94 H CB 1.046 30.757 29.762 -0.086 0.000 1.285 94 H HN 0.653 nan 8.280 nan 0.000 0.601 95 E N 3.243 123.527 120.200 0.140 0.000 2.033 95 E HA -0.180 4.171 4.350 0.001 0.000 0.199 95 E C 1.354 178.075 176.600 0.202 0.000 1.011 95 E CA 1.055 57.542 56.400 0.145 0.000 0.815 95 E CB 0.122 29.860 29.700 0.062 0.000 0.755 95 E HN 0.465 nan 8.360 nan 0.000 0.451 96 K N 0.393 120.968 120.400 0.291 0.000 2.569 96 K HA 0.118 4.439 4.320 0.001 0.000 0.193 96 K C 1.475 178.078 176.600 0.004 0.000 1.026 96 K CA 0.289 56.634 56.287 0.096 0.000 1.093 96 K CB 0.069 32.595 32.500 0.043 0.000 0.849 96 K HN 0.101 nan 8.250 nan 0.000 0.509 97 A N 0.321 123.124 122.820 -0.029 0.000 1.908 97 A HA -0.104 4.217 4.320 0.001 0.000 0.218 97 A C 1.782 179.340 177.584 -0.043 0.000 1.181 97 A CA 1.217 53.169 52.037 -0.143 0.000 0.627 97 A CB -0.544 18.272 19.000 -0.307 0.000 0.818 97 A HN 0.311 nan 8.150 nan 0.000 0.445 98 F N -0.406 119.606 119.950 0.104 0.000 2.754 98 F HA 0.023 4.551 4.527 0.001 0.000 0.297 98 F C 2.444 178.248 175.800 0.005 0.000 1.122 98 F CA 0.325 58.339 58.000 0.024 0.000 1.400 98 F CB 0.169 39.159 39.000 -0.017 0.000 1.117 98 F HN 0.098 nan 8.300 nan 0.000 0.587 99 S N 1.059 116.869 115.700 0.184 0.000 2.400 99 S HA -0.133 4.337 4.470 0.001 0.000 0.232 99 S C -0.588 174.058 174.600 0.077 0.000 1.025 99 S CA 1.203 59.468 58.200 0.108 0.000 0.993 99 S CB -1.231 62.014 63.200 0.074 0.000 0.808 99 S HN 0.283 nan 8.310 nan 0.000 0.478 100 P HA 0.020 nan 4.420 nan 0.000 0.236 100 P C 0.024 177.349 177.300 0.042 0.000 1.172 100 P CA 0.700 63.836 63.100 0.061 0.000 0.759 100 P CB -0.247 31.509 31.700 0.092 0.000 0.843 101 L N -0.061 121.189 121.223 0.045 0.000 2.923 101 L HA 0.315 4.655 4.340 0.001 0.000 0.231 101 L C 2.171 179.035 176.870 -0.011 0.000 1.300 101 L CA -0.392 54.449 54.840 0.002 0.000 1.184 101 L CB -0.236 41.805 42.059 -0.030 0.000 1.511 101 L HN -0.174 nan 8.230 nan 0.000 0.448 102 R N 0.809 121.304 120.500 -0.009 0.000 2.153 102 R HA -0.201 4.140 4.340 0.001 0.000 0.252 102 R C 1.299 177.600 176.300 0.002 0.000 1.158 102 R CA 1.687 57.783 56.100 -0.007 0.000 0.975 102 R CB 0.207 30.496 30.300 -0.018 0.000 0.871 102 R HN 0.402 nan 8.270 nan 0.000 0.450 103 K N -0.187 120.221 120.400 0.013 0.000 2.402 103 K HA 0.167 4.487 4.320 0.001 0.000 0.204 103 K C -0.185 176.449 176.600 0.055 0.000 1.056 103 K CA -0.374 55.942 56.287 0.048 0.000 1.069 103 K CB 0.513 33.070 32.500 0.095 0.000 0.888 103 K HN 0.053 nan 8.250 nan 0.000 0.546 104 L N 2.620 123.841 121.223 -0.003 0.000 2.700 104 L HA -0.097 4.243 4.340 0.001 0.000 0.272 104 L C 0.382 177.199 176.870 -0.089 0.000 1.176 104 L CA 1.415 56.213 54.840 -0.069 0.000 0.961 104 L CB 0.357 42.324 42.059 -0.152 0.000 1.249 104 L HN 0.392 nan 8.230 nan 0.000 0.487 105 Q N 3.673 123.414 119.800 -0.099 0.000 2.350 105 Q HA 0.169 4.509 4.340 0.001 0.000 0.225 105 Q C -0.159 175.695 176.000 -0.244 0.000 0.878 105 Q CA 0.340 56.081 55.803 -0.105 0.000 0.935 105 Q CB 0.885 29.662 28.738 0.065 0.000 1.099 105 Q HN 0.552 nan 8.270 nan 0.000 0.527 106 K N 1.155 121.291 120.400 -0.440 0.000 2.397 106 K HA 0.471 4.792 4.320 0.001 0.000 0.253 106 K C -1.755 174.566 176.600 -0.465 0.000 0.932 106 K CA -0.719 55.278 56.287 -0.484 0.000 0.795 106 K CB 2.046 34.091 32.500 -0.759 0.000 1.159 106 K HN -0.128 nan 8.250 nan 0.000 0.424 107 L N 3.511 124.542 121.223 -0.319 0.000 2.446 107 L HA 0.433 4.774 4.340 0.001 0.000 0.268 107 L C -2.037 174.839 176.870 0.010 0.000 0.975 107 L CA -0.428 54.268 54.840 -0.241 0.000 0.848 107 L CB 0.900 42.800 42.059 -0.266 0.000 1.225 107 L HN 0.444 nan 8.230 nan 0.000 0.410 108 Y N 6.568 126.825 120.300 -0.072 0.000 2.402 108 Y HA 0.502 5.053 4.550 0.001 0.000 0.332 108 Y C 0.623 176.531 175.900 0.014 0.000 0.960 108 Y CA -1.495 56.587 58.100 -0.030 0.000 1.228 108 Y CB 1.263 39.702 38.460 -0.036 0.000 1.120 108 Y HN 0.634 nan 8.280 nan 0.000 0.491 109 I N -0.457 120.231 120.570 0.195 0.000 3.061 109 I HA 0.470 4.641 4.170 0.001 0.000 0.341 109 I C -0.283 175.917 176.117 0.138 0.000 1.457 109 I CA -0.308 61.090 61.300 0.162 0.000 0.921 109 I CB 0.105 38.207 38.000 0.170 0.000 1.845 109 I HN 0.149 nan 8.210 nan 0.000 0.535 110 S N 1.305 117.077 115.700 0.121 0.000 2.634 110 S HA 0.302 4.772 4.470 0.001 0.000 0.261 110 S C 0.396 175.058 174.600 0.104 0.000 1.271 110 S CA -0.535 57.732 58.200 0.111 0.000 0.985 110 S CB 0.542 63.789 63.200 0.078 0.000 0.968 110 S HN 0.507 nan 8.310 nan 0.000 0.568 111 K N 0.874 121.337 120.400 0.106 0.000 3.419 111 K HA -0.188 4.133 4.320 0.001 0.000 0.272 111 K C -0.693 175.969 176.600 0.104 0.000 0.973 111 K CA 0.400 56.739 56.287 0.086 0.000 0.749 111 K CB -1.501 31.039 32.500 0.066 0.000 1.403 111 K HN 0.560 nan 8.250 nan 0.000 0.456 112 N N -0.866 117.901 118.700 0.111 0.000 2.697 112 N HA 0.215 4.956 4.740 0.001 0.000 0.272 112 N C -0.256 175.362 175.510 0.179 0.000 1.381 112 N CA -0.772 52.386 53.050 0.179 0.000 0.797 112 N CB 0.989 39.572 38.487 0.159 0.000 1.523 112 N HN 0.159 nan 8.380 nan 0.000 0.518 113 H N 0.315 119.407 119.070 0.038 0.000 2.592 113 H HA 0.304 4.861 4.556 0.001 0.000 0.291 113 H C 0.096 175.439 175.328 0.025 0.000 1.052 113 H CA -0.069 55.995 56.048 0.027 0.000 1.175 113 H CB -0.391 29.383 29.762 0.020 0.000 1.378 113 H HN 0.208 nan 8.280 nan 0.000 0.576 114 L N 1.064 122.368 121.223 0.136 0.000 2.573 114 L HA -0.094 4.247 4.340 0.001 0.000 0.290 114 L C 1.122 178.026 176.870 0.056 0.000 1.247 114 L CA 0.286 55.180 54.840 0.090 0.000 0.876 114 L CB 0.610 42.720 42.059 0.085 0.000 1.123 114 L HN 0.270 nan 8.230 nan 0.000 0.505 115 V N -1.108 118.830 119.914 0.040 0.000 3.253 115 V HA 0.456 4.576 4.120 0.001 0.000 0.320 115 V C -0.272 175.821 176.094 -0.002 0.000 1.442 115 V CA -0.010 62.299 62.300 0.016 0.000 1.097 115 V CB 0.459 32.291 31.823 0.016 0.000 1.008 115 V HN 0.865 nan 8.190 nan 0.000 0.463 116 E N 0.132 120.333 120.200 0.001 0.000 2.431 116 E HA 0.351 4.702 4.350 0.001 0.000 0.287 116 E C -1.210 175.382 176.600 -0.013 0.000 1.032 116 E CA -0.708 55.681 56.400 -0.019 0.000 0.839 116 E CB 0.992 30.677 29.700 -0.025 0.000 1.218 116 E HN 0.058 nan 8.360 nan 0.000 0.424 117 I N 4.349 124.893 120.570 -0.042 0.000 2.742 117 I HA 0.138 4.309 4.170 0.001 0.000 0.287 117 I C -1.773 174.302 176.117 -0.069 0.000 1.186 117 I CA -1.269 59.993 61.300 -0.064 0.000 1.417 117 I CB -0.492 37.398 38.000 -0.183 0.000 1.377 117 I HN 0.470 nan 8.210 nan 0.000 0.556 118 P HA 0.174 nan 4.420 nan 0.000 0.269 118 P C -2.474 174.832 177.300 0.010 0.000 1.209 118 P CA -0.618 62.527 63.100 0.075 0.000 0.776 118 P CB 0.100 31.947 31.700 0.244 0.000 0.876 119 P HA 0.339 nan 4.420 nan 0.000 0.289 119 P C -0.950 176.395 177.300 0.074 0.000 1.302 119 P CA -0.964 62.131 63.100 -0.009 0.000 0.923 119 P CB 0.596 32.282 31.700 -0.023 0.000 1.238 120 N N -1.800 116.922 118.700 0.036 0.000 2.754 120 N HA -0.163 4.578 4.740 0.001 0.000 0.248 120 N C -0.738 174.828 175.510 0.094 0.000 1.093 120 N CA 0.179 53.270 53.050 0.068 0.000 0.699 120 N CB -2.228 36.316 38.487 0.096 0.000 1.016 120 N HN 0.228 nan 8.380 nan 0.000 0.552 121 L N -0.384 120.847 121.223 0.013 0.000 2.439 121 L HA 0.380 4.720 4.340 0.001 0.000 0.269 121 L C -1.542 175.283 176.870 -0.074 0.000 1.179 121 L CA -1.401 53.372 54.840 -0.112 0.000 0.828 121 L CB -0.372 41.577 42.059 -0.183 0.000 1.106 121 L HN -0.087 nan 8.230 nan 0.000 0.467 122 P HA 0.018 nan 4.420 nan 0.000 0.262 122 P C 0.374 177.650 177.300 -0.039 0.000 1.182 122 P CA 0.342 63.406 63.100 -0.061 0.000 0.761 122 P CB 0.566 32.208 31.700 -0.097 0.000 0.795 123 S N 1.404 117.098 115.700 -0.010 0.000 2.442 123 S HA -0.122 4.348 4.470 0.001 0.000 0.236 123 S C 1.813 176.415 174.600 0.004 0.000 1.007 123 S CA 1.490 59.693 58.200 0.004 0.000 0.965 123 S CB -0.532 62.676 63.200 0.013 0.000 0.773 123 S HN 0.654 nan 8.310 nan 0.000 0.504 124 S N 1.099 116.796 115.700 -0.005 0.000 2.402 124 S HA 0.016 4.486 4.470 0.001 0.000 0.229 124 S C 0.734 175.332 174.600 -0.004 0.000 1.021 124 S CA 0.023 58.224 58.200 0.002 0.000 0.974 124 S CB -0.625 62.577 63.200 0.004 0.000 0.800 124 S HN 0.336 nan 8.310 nan 0.000 0.484 125 L N 2.995 124.199 121.223 -0.033 0.000 2.653 125 L HA 0.037 4.378 4.340 0.001 0.000 0.288 125 L C 1.131 177.993 176.870 -0.014 0.000 1.243 125 L CA 0.496 55.306 54.840 -0.051 0.000 0.906 125 L CB 0.833 42.844 42.059 -0.079 0.000 1.154 125 L HN 0.283 nan 8.230 nan 0.000 0.498 126 V N 0.474 120.377 119.914 -0.019 0.000 3.359 126 V HA 0.391 4.511 4.120 0.001 0.000 0.245 126 V C 0.433 176.531 176.094 0.007 0.000 1.247 126 V CA 0.258 62.560 62.300 0.004 0.000 1.145 126 V CB 0.036 31.869 31.823 0.015 0.000 0.906 126 V HN 0.791 nan 8.190 nan 0.000 0.464 127 E N 0.617 120.813 120.200 -0.006 0.000 2.234 127 E HA 0.612 4.963 4.350 0.001 0.000 0.266 127 E C -1.613 175.026 176.600 0.065 0.000 0.877 127 E CA -0.837 55.586 56.400 0.038 0.000 0.758 127 E CB 2.189 31.934 29.700 0.075 0.000 1.170 127 E HN 0.414 nan 8.360 nan 0.000 0.415 128 L N 4.655 125.935 121.223 0.095 0.000 2.415 128 L HA 0.481 4.822 4.340 0.001 0.000 0.268 128 L C -1.429 175.519 176.870 0.130 0.000 0.984 128 L CA -0.312 54.599 54.840 0.117 0.000 0.853 128 L CB 1.143 43.267 42.059 0.108 0.000 1.215 128 L HN 0.511 nan 8.230 nan 0.000 0.419 129 R N 5.814 126.419 120.500 0.175 0.000 2.196 129 R HA 0.453 4.794 4.340 0.001 0.000 0.340 129 R C -0.192 176.170 176.300 0.104 0.000 1.043 129 R CA -0.237 55.895 56.100 0.054 0.000 0.883 129 R CB 1.249 31.419 30.300 -0.217 0.000 1.078 129 R HN 0.757 nan 8.270 nan 0.000 0.462 130 I N 2.825 123.462 120.570 0.112 0.000 2.979 130 I HA 0.124 4.295 4.170 0.001 0.000 0.337 130 I C -0.450 175.733 176.117 0.110 0.000 1.453 130 I CA -0.506 60.864 61.300 0.117 0.000 0.891 130 I CB -0.095 37.976 38.000 0.119 0.000 1.887 130 I HN 0.638 nan 8.210 nan 0.000 0.546 131 H N 1.508 120.590 119.070 0.020 0.000 2.597 131 H HA 0.144 4.701 4.556 0.002 0.000 0.370 131 H C 0.318 175.650 175.328 0.006 0.000 1.281 131 H CA 1.007 57.059 56.048 0.007 0.000 1.422 131 H CB 0.664 30.410 29.762 -0.026 0.000 1.524 131 H HN 0.338 nan 8.280 nan 0.000 0.607 132 D N 0.629 121.043 120.400 0.024 0.000 2.737 132 D HA -0.243 4.397 4.640 0.001 0.000 0.233 132 D C -0.610 175.697 176.300 0.011 0.000 1.155 132 D CA 0.806 54.856 54.000 0.083 0.000 0.667 132 D CB -0.840 40.063 40.800 0.172 0.000 1.060 132 D HN 0.498 nan 8.370 nan 0.000 0.427 133 N N -0.638 118.046 118.700 -0.025 0.000 2.823 133 N HA 0.428 5.169 4.740 0.001 0.000 0.324 133 N C 0.817 176.303 175.510 -0.041 0.000 1.336 133 N CA -0.555 52.486 53.050 -0.015 0.000 0.861 133 N CB 0.746 39.245 38.487 0.020 0.000 1.157 133 N HN -0.036 nan 8.380 nan 0.000 0.585 134 R N 0.101 120.584 120.500 -0.028 0.000 2.629 134 R HA 0.424 4.764 4.340 0.001 0.000 0.386 134 R C -0.368 175.915 176.300 -0.029 0.000 1.071 134 R CA -0.211 55.867 56.100 -0.035 0.000 1.104 134 R CB 0.071 30.353 30.300 -0.030 0.000 1.370 134 R HN 0.422 nan 8.270 nan 0.000 0.574 135 I N 1.368 121.920 120.570 -0.029 0.000 2.578 135 I HA -0.019 4.151 4.170 0.001 0.000 0.286 135 I C 1.334 177.410 176.117 -0.067 0.000 1.126 135 I CA 0.387 61.664 61.300 -0.039 0.000 1.380 135 I CB 0.654 38.635 38.000 -0.031 0.000 1.408 135 I HN 0.097 nan 8.210 nan 0.000 0.532 136 R N 4.960 125.419 120.500 -0.067 0.000 2.173 136 R HA 0.086 4.427 4.340 0.001 0.000 0.208 136 R C -0.106 176.119 176.300 -0.125 0.000 1.035 136 R CA 0.658 56.708 56.100 -0.084 0.000 1.004 136 R CB 0.243 30.510 30.300 -0.056 0.000 0.917 136 R HN 0.608 nan 8.270 nan 0.000 0.462 137 K N -0.760 119.568 120.400 -0.120 0.000 2.502 137 K HA 0.412 4.733 4.320 0.001 0.000 0.257 137 K C -1.450 175.070 176.600 -0.133 0.000 0.938 137 K CA -0.898 55.300 56.287 -0.149 0.000 0.819 137 K CB 2.535 34.982 32.500 -0.089 0.000 1.333 137 K HN -0.205 nan 8.250 nan 0.000 0.434 138 V N 3.174 122.994 119.914 -0.156 0.000 2.357 138 V HA 0.426 4.547 4.120 0.001 0.000 0.284 138 V C -2.509 173.575 176.094 -0.017 0.000 1.018 138 V CA -2.103 60.155 62.300 -0.069 0.000 0.841 138 V CB 1.334 33.153 31.823 -0.008 0.000 0.991 138 V HN 0.785 nan 8.190 nan 0.000 0.437 139 P HA 0.345 nan 4.420 nan 0.000 0.329 139 P C 0.149 177.447 177.300 -0.002 0.000 1.319 139 P CA -0.289 62.803 63.100 -0.014 0.000 0.742 139 P CB 0.688 32.367 31.700 -0.035 0.000 1.564 140 K N -0.991 119.410 120.400 0.003 0.000 2.057 140 K HA 0.115 4.436 4.320 0.001 0.000 0.209 140 K C 1.931 178.539 176.600 0.014 0.000 1.028 140 K CA 1.040 57.339 56.287 0.021 0.000 0.950 140 K CB -1.455 31.063 32.500 0.030 0.000 0.784 140 K HN 0.351 nan 8.250 nan 0.000 0.448 141 G N 1.770 110.569 108.800 -0.003 0.000 3.186 141 G HA2 0.069 4.030 3.960 0.001 0.000 0.214 141 G HA3 0.069 4.030 3.960 0.001 0.000 0.214 141 G C 1.190 176.060 174.900 -0.049 0.000 1.222 141 G CA 0.031 45.129 45.100 -0.003 0.000 0.921 141 G HN 0.159 nan 8.290 nan 0.000 0.504 142 V N -0.514 119.327 119.914 -0.122 0.000 2.295 142 V HA -0.106 4.015 4.120 0.001 0.000 0.246 142 V C 1.970 177.786 176.094 -0.463 0.000 1.049 142 V CA 1.365 63.455 62.300 -0.349 0.000 1.024 142 V CB -0.678 30.806 31.823 -0.566 0.000 0.648 142 V HN 0.385 nan 8.190 nan 0.000 0.447 143 F N -0.506 119.413 119.950 -0.052 0.000 2.695 143 F HA 0.294 4.821 4.527 0.001 0.000 0.303 143 F C 2.372 178.172 175.800 -0.001 0.000 1.091 143 F CA 0.463 58.450 58.000 -0.022 0.000 1.300 143 F CB -0.324 38.667 39.000 -0.016 0.000 1.071 143 F HN -0.043 nan 8.300 nan 0.000 0.578 144 S N 0.947 116.720 115.700 0.123 0.000 2.390 144 S HA -0.268 4.203 4.470 0.001 0.000 0.234 144 S C 2.530 177.176 174.600 0.077 0.000 1.063 144 S CA 2.095 60.349 58.200 0.089 0.000 1.108 144 S CB -0.866 62.361 63.200 0.047 0.000 0.975 144 S HN 0.524 nan 8.310 nan 0.000 0.442 145 G N 2.330 111.163 108.800 0.054 0.000 2.639 145 G HA2 -0.105 3.856 3.960 0.001 0.000 0.216 145 G HA3 -0.105 3.856 3.960 0.001 0.000 0.216 145 G C 0.404 175.339 174.900 0.059 0.000 1.267 145 G CA 0.986 46.113 45.100 0.045 0.000 0.801 145 G HN 0.603 nan 8.290 nan 0.000 0.592 146 L N -0.332 120.937 121.223 0.077 0.000 2.605 146 L HA 0.114 4.454 4.340 0.001 0.000 0.296 146 L C 1.332 178.245 176.870 0.071 0.000 1.255 146 L CA 0.510 55.396 54.840 0.077 0.000 0.879 146 L CB 0.160 42.289 42.059 0.116 0.000 1.124 146 L HN 0.245 nan 8.230 nan 0.000 0.507 147 R N 1.220 121.750 120.500 0.051 0.000 2.527 147 R HA 0.202 4.542 4.340 0.001 0.000 0.402 147 R C 0.176 176.496 176.300 0.033 0.000 0.933 147 R CA -0.118 56.007 56.100 0.042 0.000 1.171 147 R CB 0.352 30.672 30.300 0.034 0.000 1.612 147 R HN 0.710 nan 8.270 nan 0.000 0.546 148 N N -0.220 118.500 118.700 0.035 0.000 2.143 148 N HA 0.130 4.871 4.740 0.001 0.000 0.229 148 N C -0.034 175.493 175.510 0.028 0.000 1.294 148 N CA -0.223 52.843 53.050 0.027 0.000 0.883 148 N CB 0.816 39.317 38.487 0.023 0.000 1.148 148 N HN -0.074 nan 8.380 nan 0.000 0.511 149 M N 1.792 121.415 119.600 0.039 0.000 2.184 149 M HA 0.003 4.483 4.480 0.001 0.000 0.296 149 M C 1.089 177.405 176.300 0.026 0.000 1.165 149 M CA 1.268 56.593 55.300 0.041 0.000 1.175 149 M CB -0.236 32.400 32.600 0.060 0.000 1.392 149 M HN 0.389 nan 8.290 nan 0.000 0.457 150 N N -2.072 116.645 118.700 0.027 0.000 2.032 150 N HA 0.005 4.746 4.740 0.001 0.000 0.240 150 N C -0.941 174.601 175.510 0.053 0.000 1.470 150 N CA -0.385 52.681 53.050 0.027 0.000 1.093 150 N CB -0.261 38.236 38.487 0.016 0.000 1.157 150 N HN 0.481 nan 8.380 nan 0.000 0.691 151 C N 1.365 120.691 119.300 0.043 0.000 2.620 151 C HA 0.688 5.149 4.460 0.001 0.000 0.356 151 C C -1.478 173.540 174.990 0.046 0.000 1.082 151 C CA -0.488 58.539 59.018 0.015 0.000 1.293 151 C CB -0.343 27.356 27.740 -0.069 0.000 1.836 151 C HN 0.403 nan 8.230 nan 0.000 0.453 152 I N 5.100 125.737 120.570 0.111 0.000 2.468 152 I HA 0.318 4.489 4.170 0.001 0.000 0.284 152 I C -0.474 175.733 176.117 0.149 0.000 1.038 152 I CA -0.207 61.166 61.300 0.122 0.000 1.083 152 I CB 1.524 39.592 38.000 0.114 0.000 1.223 152 I HN 0.504 nan 8.210 nan 0.000 0.443 153 E N 7.448 127.711 120.200 0.105 0.000 2.044 153 E HA 0.370 4.721 4.350 0.001 0.000 0.282 153 E C -0.244 176.437 176.600 0.135 0.000 1.031 153 E CA -0.179 56.292 56.400 0.119 0.000 0.824 153 E CB 1.351 31.083 29.700 0.053 0.000 1.076 153 E HN 0.558 nan 8.360 nan 0.000 0.395 154 M N 1.813 121.491 119.600 0.130 0.000 2.596 154 M HA 0.251 4.731 4.480 0.001 0.000 0.364 154 M C 0.773 177.057 176.300 -0.026 0.000 1.158 154 M CA -0.371 54.984 55.300 0.091 0.000 0.940 154 M CB 1.410 34.117 32.600 0.178 0.000 1.388 154 M HN 0.287 nan 8.290 nan 0.000 0.522 155 G N -0.527 108.191 108.800 -0.138 0.000 2.616 155 G HA2 0.448 4.409 3.960 0.001 0.000 0.268 155 G HA3 0.448 4.409 3.960 0.001 0.000 0.268 155 G C 0.898 175.322 174.900 -0.794 0.000 1.213 155 G CA 0.184 45.079 45.100 -0.342 0.000 0.926 155 G HN 0.587 nan 8.290 nan 0.000 0.523 156 G N -0.925 107.564 108.800 -0.517 0.000 2.198 156 G HA2 -0.260 3.701 3.960 0.001 0.000 0.260 156 G HA3 -0.260 3.701 3.960 0.001 0.000 0.260 156 G C 0.297 175.068 174.900 -0.214 0.000 1.025 156 G CA 0.385 45.261 45.100 -0.373 0.000 0.769 156 G HN 0.718 nan 8.290 nan 0.000 0.507 157 N N 0.135 118.738 118.700 -0.162 0.000 2.432 157 N HA 0.564 5.305 4.740 0.001 0.000 0.292 157 N C -2.939 172.533 175.510 -0.063 0.000 1.193 157 N CA -1.427 51.568 53.050 -0.093 0.000 0.878 157 N CB 2.670 41.111 38.487 -0.077 0.000 1.252 157 N HN 0.011 nan 8.380 nan 0.000 0.520 158 P HA 0.285 nan 4.420 nan 0.000 0.220 158 P C -1.189 176.075 177.300 -0.061 0.000 1.828 158 P CA -0.261 62.813 63.100 -0.043 0.000 1.159 158 P CB -0.151 31.527 31.700 -0.038 0.000 1.758 159 L N -0.314 120.867 121.223 -0.070 0.000 2.410 159 L HA 0.681 5.021 4.340 0.001 0.000 0.270 159 L C -0.257 176.576 176.870 -0.063 0.000 0.983 159 L CA -1.066 53.698 54.840 -0.126 0.000 0.822 159 L CB 2.621 44.509 42.059 -0.286 0.000 1.285 159 L HN -0.051 nan 8.230 nan 0.000 0.409 160 E N 1.625 121.799 120.200 -0.043 0.000 2.292 160 E HA 0.255 4.606 4.350 0.001 0.000 0.258 160 E C 0.028 176.680 176.600 0.086 0.000 1.115 160 E CA -0.405 56.014 56.400 0.031 0.000 0.929 160 E CB 1.223 30.939 29.700 0.026 0.000 1.161 160 E HN 0.739 nan 8.360 nan 0.000 0.453 161 N N 0.026 118.821 118.700 0.158 0.000 2.166 161 N HA -0.185 4.556 4.740 0.001 0.000 0.186 161 N C 1.681 177.326 175.510 0.225 0.000 1.019 161 N CA 1.435 54.645 53.050 0.266 0.000 0.856 161 N CB 0.055 38.655 38.487 0.188 0.000 0.993 161 N HN 0.376 nan 8.380 nan 0.000 0.426 162 S N -0.666 115.104 115.700 0.117 0.000 2.440 162 S HA -0.079 4.392 4.470 0.001 0.000 0.238 162 S C 2.102 176.736 174.600 0.057 0.000 1.010 162 S CA 1.075 59.324 58.200 0.082 0.000 0.972 162 S CB -0.844 62.384 63.200 0.047 0.000 0.774 162 S HN 0.387 nan 8.310 nan 0.000 0.501 163 G N 0.696 109.495 108.800 -0.002 0.000 2.422 163 G HA2 0.107 4.068 3.960 0.001 0.000 0.218 163 G HA3 0.107 4.068 3.960 0.001 0.000 0.218 163 G C 0.395 175.219 174.900 -0.128 0.000 1.140 163 G CA 0.046 45.080 45.100 -0.110 0.000 0.775 163 G HN 0.476 nan 8.290 nan 0.000 0.545 164 F N 0.102 120.093 119.950 0.068 0.000 2.472 164 F HA 0.457 4.985 4.527 0.002 0.000 0.312 164 F C 0.796 176.633 175.800 0.063 0.000 1.256 164 F CA -0.174 57.877 58.000 0.085 0.000 1.275 164 F CB 0.617 39.702 39.000 0.141 0.000 1.228 164 F HN 0.025 nan 8.300 nan 0.000 0.567 165 E N 1.482 121.865 120.200 0.305 0.000 2.321 165 E HA 0.272 4.622 4.350 0.001 0.000 0.278 165 E C -2.780 173.912 176.600 0.153 0.000 0.902 165 E CA -2.453 54.047 56.400 0.165 0.000 0.758 165 E CB 1.999 31.759 29.700 0.099 0.000 1.213 165 E HN 0.100 nan 8.360 nan 0.000 0.426 166 P HA -0.040 nan 4.420 nan 0.000 0.255 166 P C 0.427 177.780 177.300 0.088 0.000 1.161 166 P CA 1.512 64.665 63.100 0.090 0.000 0.768 166 P CB -0.023 31.714 31.700 0.062 0.000 0.746 167 G N 3.162 112.024 108.800 0.104 0.000 2.212 167 G HA2 -0.188 3.772 3.960 0.001 0.000 0.255 167 G HA3 -0.188 3.772 3.960 0.001 0.000 0.255 167 G C 0.970 175.932 174.900 0.103 0.000 1.062 167 G CA 0.143 45.304 45.100 0.102 0.000 0.815 167 G HN 0.698 nan 8.290 nan 0.000 0.497 168 A N -0.565 122.326 122.820 0.118 0.000 1.897 168 A HA 0.424 4.745 4.320 0.001 0.000 0.215 168 A C 1.626 179.150 177.584 -0.099 0.000 1.181 168 A CA 1.739 53.782 52.037 0.011 0.000 0.620 168 A CB -0.200 18.801 19.000 0.002 0.000 0.821 168 A HN 0.752 nan 8.150 nan 0.000 0.443 169 F N 0.724 120.740 119.950 0.111 0.000 2.664 169 F HA 0.185 4.712 4.527 0.001 0.000 0.301 169 F C 0.167 175.984 175.800 0.030 0.000 1.126 169 F CA -0.907 57.091 58.000 -0.004 0.000 1.373 169 F CB -0.478 38.442 39.000 -0.134 0.000 1.042 169 F HN 0.053 nan 8.300 nan 0.000 0.535 170 D N 1.019 121.522 120.400 0.171 0.000 2.586 170 D HA 0.236 4.877 4.640 0.001 0.000 0.234 170 D C 0.864 177.232 176.300 0.113 0.000 1.132 170 D CA 1.300 55.376 54.000 0.125 0.000 0.860 170 D CB 0.439 41.297 40.800 0.096 0.000 1.159 170 D HN 0.464 nan 8.370 nan 0.000 0.490 171 G N 3.162 112.016 108.800 0.089 0.000 2.274 171 G HA2 -0.114 3.846 3.960 0.001 0.000 0.251 171 G HA3 -0.114 3.846 3.960 0.001 0.000 0.251 171 G C -0.240 174.709 174.900 0.082 0.000 0.836 171 G CA 0.055 45.199 45.100 0.073 0.000 1.246 171 G HN 0.579 nan 8.290 nan 0.000 0.355 172 L N 1.579 122.845 121.223 0.070 0.000 2.439 172 L HA 0.350 4.691 4.340 0.001 0.000 0.264 172 L C 0.504 177.391 176.870 0.028 0.000 1.531 172 L CA -0.865 54.013 54.840 0.063 0.000 0.727 172 L CB 0.269 42.374 42.059 0.077 0.000 0.952 172 L HN 0.381 nan 8.230 nan 0.000 0.521 173 K N 2.659 123.073 120.400 0.023 0.000 2.320 173 K HA 0.309 4.630 4.320 0.001 0.000 0.273 173 K C -0.526 176.072 176.600 -0.004 0.000 1.146 173 K CA 0.318 56.608 56.287 0.006 0.000 1.144 173 K CB -0.186 32.320 32.500 0.010 0.000 0.878 173 K HN 0.389 nan 8.250 nan 0.000 0.458 174 L N 0.264 121.471 121.223 -0.027 0.000 2.359 174 L HA 0.445 4.785 4.340 0.001 0.000 0.256 174 L C 0.044 176.881 176.870 -0.055 0.000 1.026 174 L CA -0.779 54.043 54.840 -0.031 0.000 0.828 174 L CB 1.274 43.317 42.059 -0.027 0.000 1.406 174 L HN 0.408 nan 8.230 nan 0.000 0.413 175 N N -1.103 117.578 118.700 -0.032 0.000 2.273 175 N HA 0.166 4.907 4.740 0.001 0.000 0.192 175 N C -0.323 175.161 175.510 -0.042 0.000 1.132 175 N CA 0.029 53.044 53.050 -0.057 0.000 0.887 175 N CB 0.108 38.559 38.487 -0.060 0.000 1.048 175 N HN 0.667 nan 8.380 nan 0.000 0.490 176 Y N 0.147 120.379 120.300 -0.112 0.000 2.562 176 Y HA 0.685 5.235 4.550 0.001 0.000 0.343 176 Y C -1.608 174.220 175.900 -0.119 0.000 1.025 176 Y CA -1.535 56.502 58.100 -0.105 0.000 1.082 176 Y CB 1.539 39.944 38.460 -0.091 0.000 1.264 176 Y HN -0.003 nan 8.280 nan 0.000 0.478 177 L N 5.088 126.045 121.223 -0.443 0.000 2.847 177 L HA 0.414 4.755 4.340 0.001 0.000 0.261 177 L C -2.126 174.638 176.870 -0.177 0.000 0.926 177 L CA -0.417 54.355 54.840 -0.114 0.000 1.010 177 L CB 1.578 43.475 42.059 -0.270 0.000 1.538 177 L HN 0.769 nan 8.230 nan 0.000 0.465 178 R N 6.419 126.982 120.500 0.106 0.000 2.412 178 R HA 0.601 4.942 4.340 0.001 0.000 0.304 178 R C -1.206 175.168 176.300 0.124 0.000 1.066 178 R CA -0.562 55.610 56.100 0.120 0.000 0.923 178 R CB 0.816 31.266 30.300 0.251 0.000 1.156 178 R HN 0.791 nan 8.270 nan 0.000 0.513 179 I N 4.541 125.167 120.570 0.093 0.000 2.541 179 I HA 0.091 4.261 4.170 0.001 0.000 0.295 179 I C 0.719 176.907 176.117 0.119 0.000 1.137 179 I CA -0.402 60.972 61.300 0.124 0.000 1.256 179 I CB 0.287 38.385 38.000 0.164 0.000 1.648 179 I HN 0.554 nan 8.210 nan 0.000 0.570 180 S N 1.978 117.751 115.700 0.122 0.000 2.626 180 S HA 0.146 4.617 4.470 0.001 0.000 0.257 180 S C 0.638 175.295 174.600 0.094 0.000 1.288 180 S CA -0.358 57.927 58.200 0.142 0.000 0.980 180 S CB 0.468 63.777 63.200 0.182 0.000 0.975 180 S HN 0.628 nan 8.310 nan 0.000 0.577 181 E N -0.854 119.425 120.200 0.132 0.000 2.202 181 E HA -0.235 4.116 4.350 0.001 0.000 0.214 181 E C 0.330 176.951 176.600 0.034 0.000 1.303 181 E CA 0.385 56.835 56.400 0.082 0.000 0.714 181 E CB -2.361 27.348 29.700 0.014 0.000 1.130 181 E HN 0.773 nan 8.360 nan 0.000 0.356 182 A N 0.805 123.663 122.820 0.063 0.000 3.981 182 A HA 0.534 4.854 4.320 0.001 0.000 0.153 182 A C 0.465 178.083 177.584 0.057 0.000 1.090 182 A CA -0.511 51.552 52.037 0.043 0.000 0.990 182 A CB 0.901 19.937 19.000 0.060 0.000 1.553 182 A HN 0.096 nan 8.150 nan 0.000 0.696 183 K N 0.536 120.970 120.400 0.057 0.000 2.646 183 K HA 0.309 4.630 4.320 0.001 0.000 0.206 183 K C -0.778 175.869 176.600 0.078 0.000 1.069 183 K CA -0.246 56.074 56.287 0.055 0.000 1.067 183 K CB 0.360 32.877 32.500 0.029 0.000 0.807 183 K HN 0.345 nan 8.250 nan 0.000 0.482 184 L N 1.638 122.926 121.223 0.107 0.000 2.513 184 L HA -0.026 4.315 4.340 0.001 0.000 0.272 184 L C 1.748 178.671 176.870 0.088 0.000 1.187 184 L CA 1.039 55.955 54.840 0.125 0.000 0.895 184 L CB 0.687 42.830 42.059 0.140 0.000 1.147 184 L HN 0.187 nan 8.230 nan 0.000 0.483 185 T N 1.236 115.839 114.554 0.082 0.000 3.037 185 T HA 0.235 4.585 4.350 0.001 0.000 0.251 185 T C 0.602 175.332 174.700 0.051 0.000 1.079 185 T CA 0.526 62.661 62.100 0.059 0.000 1.067 185 T CB 0.273 69.172 68.868 0.052 0.000 0.948 185 T HN 0.759 nan 8.240 nan 0.000 0.496 186 G N 0.230 109.066 108.800 0.059 0.000 2.684 186 G HA2 0.586 4.547 3.960 0.001 0.000 0.290 186 G HA3 0.586 4.547 3.960 0.001 0.000 0.290 186 G C -1.322 173.604 174.900 0.043 0.000 1.425 186 G CA -0.970 44.155 45.100 0.042 0.000 0.822 186 G HN 0.346 nan 8.290 nan 0.000 0.482 187 I N 2.002 122.588 120.570 0.028 0.000 2.517 187 I HA 0.135 4.306 4.170 0.001 0.000 0.285 187 I C -1.834 174.290 176.117 0.011 0.000 1.106 187 I CA -1.118 60.197 61.300 0.024 0.000 1.402 187 I CB 1.329 39.350 38.000 0.036 0.000 1.399 187 I HN 0.126 nan 8.210 nan 0.000 0.535 188 P HA 0.168 nan 4.420 nan 0.000 0.275 188 P C -0.288 177.010 177.300 -0.003 0.000 1.228 188 P CA -0.268 62.782 63.100 -0.083 0.000 0.786 188 P CB 0.789 32.303 31.700 -0.310 0.000 0.927 189 K N 0.616 120.999 120.400 -0.028 0.000 2.365 189 K HA 0.047 4.368 4.320 0.001 0.000 0.195 189 K C 0.053 176.643 176.600 -0.017 0.000 1.079 189 K CA 0.430 56.683 56.287 -0.057 0.000 0.979 189 K CB 0.256 32.690 32.500 -0.110 0.000 0.929 189 K HN 0.535 nan 8.250 nan 0.000 0.523 190 D N 1.581 121.985 120.400 0.006 0.000 2.781 190 D HA 0.140 4.781 4.640 0.001 0.000 0.254 190 D C -0.247 176.078 176.300 0.042 0.000 1.213 190 D CA -0.298 53.728 54.000 0.043 0.000 0.994 190 D CB 0.248 41.086 40.800 0.062 0.000 1.019 190 D HN -0.160 nan 8.370 nan 0.000 0.514 191 L N 0.652 121.882 121.223 0.013 0.000 2.397 191 L HA 0.547 4.888 4.340 0.001 0.000 0.266 191 L C -2.198 174.607 176.870 -0.108 0.000 1.040 191 L CA -2.485 52.184 54.840 -0.285 0.000 0.800 191 L CB 0.563 42.294 42.059 -0.546 0.000 1.324 191 L HN -0.022 nan 8.230 nan 0.000 0.469 192 P HA 0.187 nan 4.420 nan 0.000 0.276 192 P C -0.204 177.060 177.300 -0.059 0.000 1.235 192 P CA -0.104 62.931 63.100 -0.108 0.000 0.772 192 P CB 0.485 32.091 31.700 -0.156 0.000 0.871 193 E N 0.901 121.114 120.200 0.022 0.000 2.208 193 E HA -0.107 4.243 4.350 0.001 0.000 0.193 193 E C 1.276 177.890 176.600 0.023 0.000 0.988 193 E CA 1.325 57.766 56.400 0.069 0.000 0.828 193 E CB -0.340 29.391 29.700 0.051 0.000 0.763 193 E HN 0.577 nan 8.360 nan 0.000 0.478 194 T N -0.148 114.397 114.554 -0.015 0.000 3.163 194 T HA -0.030 4.321 4.350 0.001 0.000 0.260 194 T C 0.788 175.447 174.700 -0.069 0.000 1.156 194 T CA -0.184 61.898 62.100 -0.029 0.000 1.072 194 T CB -0.148 68.703 68.868 -0.028 0.000 0.937 194 T HN -0.110 nan 8.240 nan 0.000 0.528 195 L N 2.759 123.917 121.223 -0.109 0.000 2.640 195 L HA 0.123 4.464 4.340 0.001 0.000 0.280 195 L C 1.083 177.857 176.870 -0.159 0.000 1.229 195 L CA 0.182 54.911 54.840 -0.185 0.000 0.919 195 L CB -0.375 41.487 42.059 -0.329 0.000 1.168 195 L HN 0.207 nan 8.230 nan 0.000 0.496 196 N N 2.153 120.734 118.700 -0.198 0.000 2.571 196 N HA 0.115 4.855 4.740 0.001 0.000 0.195 196 N C -0.357 175.022 175.510 -0.220 0.000 1.040 196 N CA 0.199 53.096 53.050 -0.255 0.000 0.890 196 N CB 0.834 39.105 38.487 -0.360 0.000 1.233 196 N HN 0.635 nan 8.380 nan 0.000 0.435 197 E N 0.701 120.760 120.200 -0.234 0.000 2.277 197 E HA 0.490 4.840 4.350 0.001 0.000 0.266 197 E C -1.320 175.079 176.600 -0.336 0.000 0.901 197 E CA -0.703 55.559 56.400 -0.230 0.000 0.782 197 E CB 2.911 32.489 29.700 -0.203 0.000 1.228 197 E HN -0.055 nan 8.360 nan 0.000 0.424 198 L N 1.730 122.787 121.223 -0.276 0.000 2.639 198 L HA 0.266 4.607 4.340 0.001 0.000 0.264 198 L C -1.873 174.848 176.870 -0.249 0.000 0.948 198 L CA -0.158 54.511 54.840 -0.286 0.000 0.912 198 L CB 1.404 43.240 42.059 -0.371 0.000 1.294 198 L HN 0.575 nan 8.230 nan 0.000 0.412 199 H N 6.948 125.858 119.070 -0.267 0.000 2.466 199 H HA 0.558 5.115 4.556 0.001 0.000 0.338 199 H C -0.565 174.736 175.328 -0.045 0.000 1.091 199 H CA -0.793 55.187 56.048 -0.114 0.000 1.207 199 H CB 2.326 32.053 29.762 -0.058 0.000 1.466 199 H HN 0.493 nan 8.280 nan 0.000 0.493 200 L N 2.796 124.060 121.223 0.068 0.000 3.429 200 L HA 0.033 4.374 4.340 0.001 0.000 0.311 200 L C 0.504 177.443 176.870 0.116 0.000 1.274 200 L CA -0.125 54.761 54.840 0.077 0.000 1.037 200 L CB -0.281 41.795 42.059 0.029 0.000 1.433 200 L HN 0.722 nan 8.230 nan 0.000 0.614 201 D N -0.356 120.142 120.400 0.162 0.000 2.419 201 D HA -0.083 4.558 4.640 0.001 0.000 0.236 201 D C -0.249 176.224 176.300 0.288 0.000 1.165 201 D CA 0.137 54.256 54.000 0.198 0.000 0.882 201 D CB 0.355 41.334 40.800 0.299 0.000 1.201 201 D HN 0.260 nan 8.370 nan 0.000 0.443 202 H N -0.551 118.601 119.070 0.136 0.000 2.702 202 H HA -0.131 4.426 4.556 0.001 0.000 0.328 202 H C -0.348 175.034 175.328 0.091 0.000 1.111 202 H CA 0.837 56.954 56.048 0.115 0.000 1.109 202 H CB -1.280 28.519 29.762 0.063 0.000 1.606 202 H HN 0.408 nan 8.280 nan 0.000 0.399 203 N N 0.140 118.927 118.700 0.145 0.000 3.455 203 N HA 0.383 5.124 4.740 0.001 0.000 0.358 203 N C 0.310 175.870 175.510 0.083 0.000 1.580 203 N CA -0.771 52.347 53.050 0.113 0.000 0.692 203 N CB 0.984 39.532 38.487 0.101 0.000 1.978 203 N HN 0.233 nan 8.380 nan 0.000 0.651 204 K N 0.701 121.142 120.400 0.068 0.000 2.758 204 K HA 0.458 4.779 4.320 0.001 0.000 0.208 204 K C -0.395 176.230 176.600 0.041 0.000 1.091 204 K CA -0.154 56.163 56.287 0.050 0.000 1.059 204 K CB 0.205 32.733 32.500 0.047 0.000 0.801 204 K HN 0.403 nan 8.250 nan 0.000 0.470 205 I N 2.011 122.606 120.570 0.041 0.000 2.752 205 I HA -0.135 4.036 4.170 0.001 0.000 0.289 205 I C 1.443 177.571 176.117 0.019 0.000 1.197 205 I CA 0.179 61.499 61.300 0.033 0.000 1.432 205 I CB 0.730 38.749 38.000 0.033 0.000 1.359 205 I HN 0.198 nan 8.210 nan 0.000 0.571 206 Q N 4.984 124.795 119.800 0.017 0.000 2.204 206 Q HA 0.290 4.630 4.340 0.001 0.000 0.198 206 Q C 0.188 176.190 176.000 0.003 0.000 0.946 206 Q CA 0.590 56.398 55.803 0.009 0.000 0.859 206 Q CB 0.504 29.249 28.738 0.012 0.000 0.946 206 Q HN 0.828 nan 8.270 nan 0.000 0.474 207 A N 0.250 123.073 122.820 0.005 0.000 2.594 207 A HA 0.413 4.734 4.320 0.001 0.000 0.301 207 A C -1.533 176.053 177.584 0.004 0.000 1.022 207 A CA -0.743 51.294 52.037 0.000 0.000 0.738 207 A CB 0.283 19.282 19.000 -0.002 0.000 1.263 207 A HN 0.209 nan 8.150 nan 0.000 0.409 208 I N 2.105 122.677 120.570 0.004 0.000 2.291 208 I HA 0.492 4.662 4.170 0.001 0.000 0.290 208 I C 0.188 176.312 176.117 0.013 0.000 1.050 208 I CA -0.046 61.260 61.300 0.010 0.000 1.245 208 I CB 0.394 38.403 38.000 0.016 0.000 1.405 208 I HN 0.805 nan 8.210 nan 0.000 0.478 209 E N 4.701 124.907 120.200 0.010 0.000 3.188 209 E HA 0.105 4.455 4.350 0.001 0.000 0.262 209 E C 0.611 177.229 176.600 0.029 0.000 1.341 209 E CA -0.638 55.770 56.400 0.013 0.000 1.140 209 E CB 0.644 30.346 29.700 0.003 0.000 1.306 209 E HN 0.637 nan 8.360 nan 0.000 0.694 210 L N 0.842 122.086 121.223 0.035 0.000 1.955 210 L HA -0.195 4.146 4.340 0.001 0.000 0.213 210 L C 1.359 178.271 176.870 0.071 0.000 1.072 210 L CA 2.072 56.963 54.840 0.084 0.000 0.755 210 L CB -0.438 41.663 42.059 0.071 0.000 0.888 210 L HN 0.451 nan 8.230 nan 0.000 0.432 211 E N -0.551 119.621 120.200 -0.046 0.000 2.476 211 E HA -0.029 4.322 4.350 0.001 0.000 0.191 211 E C 1.460 177.925 176.600 -0.224 0.000 1.064 211 E CA 0.287 56.568 56.400 -0.198 0.000 0.866 211 E CB -0.278 29.305 29.700 -0.194 0.000 0.952 211 E HN 0.447 nan 8.360 nan 0.000 0.492 212 D N 0.754 121.081 120.400 -0.122 0.000 2.103 212 D HA -0.169 4.472 4.640 0.001 0.000 0.190 212 D C 1.189 177.365 176.300 -0.207 0.000 0.997 212 D CA 1.150 55.080 54.000 -0.117 0.000 0.833 212 D CB -0.025 40.756 40.800 -0.031 0.000 0.961 212 D HN 0.237 nan 8.370 nan 0.000 0.447 213 L N 0.867 122.011 121.223 -0.132 0.000 2.645 213 L HA 0.092 4.432 4.340 0.001 0.000 0.234 213 L C 1.814 178.466 176.870 -0.364 0.000 1.165 213 L CA -0.378 54.377 54.840 -0.143 0.000 0.944 213 L CB -0.115 42.001 42.059 0.094 0.000 1.149 213 L HN 0.036 nan 8.230 nan 0.000 0.446 214 L N 1.735 122.612 121.223 -0.576 0.000 1.965 214 L HA -0.268 4.073 4.340 0.001 0.000 0.226 214 L C 2.708 179.247 176.870 -0.551 0.000 1.083 214 L CA 2.260 56.606 54.840 -0.823 0.000 0.790 214 L CB -0.371 41.233 42.059 -0.759 0.000 0.898 214 L HN 0.440 nan 8.230 nan 0.000 0.439 215 R N -1.850 118.310 120.500 -0.568 0.000 2.313 215 R HA -0.062 4.278 4.340 0.001 0.000 0.199 215 R C 0.797 177.033 176.300 -0.107 0.000 0.958 215 R CA 0.676 56.582 56.100 -0.323 0.000 1.047 215 R CB -0.902 29.235 30.300 -0.272 0.000 0.955 215 R HN 0.569 nan 8.270 nan 0.000 0.481 216 Y N 1.968 122.223 120.300 -0.075 0.000 2.627 216 Y HA 0.085 4.635 4.550 0.001 0.000 0.339 216 Y C 1.283 177.176 175.900 -0.011 0.000 1.137 216 Y CA -0.552 57.513 58.100 -0.058 0.000 1.361 216 Y CB 0.367 38.783 38.460 -0.074 0.000 1.180 216 Y HN 0.250 nan 8.280 nan 0.000 0.512 217 S N -0.405 115.375 115.700 0.132 0.000 2.609 217 S HA -0.163 4.308 4.470 0.001 0.000 0.250 217 S C 0.791 175.455 174.600 0.107 0.000 0.974 217 S CA 0.762 59.031 58.200 0.114 0.000 0.962 217 S CB -0.375 62.876 63.200 0.085 0.000 0.756 217 S HN 0.521 nan 8.310 nan 0.000 0.539 218 K N 0.574 121.041 120.400 0.110 0.000 2.676 218 K HA 0.386 4.707 4.320 0.001 0.000 0.205 218 K C -0.649 176.041 176.600 0.150 0.000 1.084 218 K CA -0.198 56.161 56.287 0.120 0.000 1.057 218 K CB 0.560 33.105 32.500 0.075 0.000 0.791 218 K HN 0.327 nan 8.250 nan 0.000 0.484 219 L N 0.751 122.063 121.223 0.149 0.000 2.375 219 L HA 0.274 4.615 4.340 0.001 0.000 0.271 219 L C 0.725 177.801 176.870 0.343 0.000 1.107 219 L CA -0.315 54.610 54.840 0.142 0.000 0.806 219 L CB 0.495 42.587 42.059 0.054 0.000 1.146 219 L HN 0.233 nan 8.230 nan 0.000 0.447 220 Y N 0.738 121.006 120.300 -0.053 0.000 2.539 220 Y HA 0.198 4.748 4.550 0.001 0.000 0.284 220 Y C 0.957 176.810 175.900 -0.079 0.000 1.134 220 Y CA -0.661 57.410 58.100 -0.049 0.000 1.251 220 Y CB 0.831 39.271 38.460 -0.034 0.000 1.260 220 Y HN 0.497 nan 8.280 nan 0.000 0.528 221 R N 0.585 121.125 120.500 0.067 0.000 2.873 221 R HA 0.578 4.919 4.340 0.001 0.000 0.264 221 R C -1.892 174.292 176.300 -0.194 0.000 1.026 221 R CA -0.807 55.233 56.100 -0.101 0.000 1.002 221 R CB 2.146 32.361 30.300 -0.141 0.000 1.174 221 R HN -0.017 nan 8.270 nan 0.000 0.488 222 L N 0.271 121.325 121.223 -0.282 0.000 2.727 222 L HA 0.481 4.822 4.340 0.001 0.000 0.255 222 L C -1.052 175.635 176.870 -0.305 0.000 0.983 222 L CA 0.010 54.681 54.840 -0.282 0.000 0.945 222 L CB 1.713 43.698 42.059 -0.125 0.000 1.242 222 L HN 0.693 nan 8.230 nan 0.000 0.449 223 G N 3.747 112.266 108.800 -0.467 0.000 2.353 223 G HA2 0.548 4.508 3.960 0.001 0.000 0.284 223 G HA3 0.548 4.508 3.960 0.001 0.000 0.284 223 G C -0.016 174.828 174.900 -0.093 0.000 1.172 223 G CA -0.372 44.571 45.100 -0.261 0.000 0.854 223 G HN 0.633 nan 8.290 nan 0.000 0.485 224 L N 2.539 123.760 121.223 -0.002 0.000 3.298 224 L HA 0.261 4.602 4.340 0.001 0.000 0.296 224 L C 1.604 178.492 176.870 0.030 0.000 1.237 224 L CA -0.537 54.311 54.840 0.013 0.000 1.038 224 L CB 0.423 42.481 42.059 -0.002 0.000 1.423 224 L HN 0.668 nan 8.230 nan 0.000 0.605 225 G N -1.080 107.767 108.800 0.078 0.000 2.707 225 G HA2 -0.018 3.942 3.960 0.001 0.000 0.231 225 G HA3 -0.018 3.942 3.960 0.001 0.000 0.231 225 G C -0.188 174.719 174.900 0.012 0.000 1.246 225 G CA 0.242 45.382 45.100 0.068 0.000 0.852 225 G HN 0.604 nan 8.290 nan 0.000 0.584 226 H N -0.299 118.642 119.070 -0.215 0.000 2.631 226 H HA -0.132 4.424 4.556 0.001 0.000 0.322 226 H C 0.628 175.839 175.328 -0.195 0.000 1.035 226 H CA 1.345 57.207 56.048 -0.310 0.000 1.070 226 H CB -0.971 28.292 29.762 -0.832 0.000 1.622 226 H HN 0.545 nan 8.280 nan 0.000 0.373 227 N N 0.130 118.795 118.700 -0.059 0.000 3.479 227 N HA 0.290 5.030 4.740 0.001 0.000 0.336 227 N C -0.156 175.335 175.510 -0.031 0.000 1.623 227 N CA -0.636 52.403 53.050 -0.018 0.000 0.759 227 N CB 1.181 39.665 38.487 -0.006 0.000 2.016 227 N HN 0.402 nan 8.380 nan 0.000 0.637 228 Q N 0.865 120.656 119.800 -0.014 0.000 2.217 228 Q HA 0.430 4.771 4.340 0.001 0.000 0.340 228 Q C -0.641 175.348 176.000 -0.018 0.000 0.893 228 Q CA -0.114 55.678 55.803 -0.018 0.000 1.142 228 Q CB 0.640 29.376 28.738 -0.003 0.000 1.288 228 Q HN 0.450 nan 8.270 nan 0.000 0.426 229 I N 0.962 121.517 120.570 -0.025 0.000 2.505 229 I HA 0.008 4.178 4.170 0.001 0.000 0.287 229 I C 1.434 177.533 176.117 -0.030 0.000 1.104 229 I CA 0.416 61.702 61.300 -0.023 0.000 1.387 229 I CB 0.499 38.485 38.000 -0.024 0.000 1.404 229 I HN 0.217 nan 8.210 nan 0.000 0.528 230 R N 6.385 126.871 120.500 -0.023 0.000 2.123 230 R HA 0.267 4.608 4.340 0.001 0.000 0.209 230 R C 0.127 176.411 176.300 -0.026 0.000 1.078 230 R CA 0.686 56.771 56.100 -0.025 0.000 1.028 230 R CB 0.386 30.675 30.300 -0.018 0.000 0.939 230 R HN 0.669 nan 8.270 nan 0.000 0.463 231 M N 0.956 120.543 119.600 -0.021 0.000 2.098 231 M HA 0.340 4.821 4.480 0.001 0.000 0.265 231 M C -0.920 175.370 176.300 -0.016 0.000 0.940 231 M CA -0.638 54.650 55.300 -0.021 0.000 1.007 231 M CB 2.065 34.654 32.600 -0.018 0.000 1.823 231 M HN -0.177 nan 8.290 nan 0.000 0.453 232 I N 2.782 123.340 120.570 -0.020 0.000 2.396 232 I HA 0.300 4.471 4.170 0.001 0.000 0.289 232 I C -0.377 175.732 176.117 -0.012 0.000 1.056 232 I CA 0.608 61.900 61.300 -0.012 0.000 1.365 232 I CB 1.043 39.036 38.000 -0.012 0.000 1.407 232 I HN 1.006 nan 8.210 nan 0.000 0.509 233 E N 7.094 127.292 120.200 -0.002 0.000 2.289 233 E HA 0.113 4.464 4.350 0.001 0.000 0.278 233 E C -0.164 176.436 176.600 -0.001 0.000 1.032 233 E CA -0.694 55.706 56.400 -0.001 0.000 0.854 233 E CB 0.695 30.399 29.700 0.008 0.000 1.046 233 E HN 0.739 nan 8.360 nan 0.000 0.409 234 N N 3.469 122.160 118.700 -0.014 0.000 2.416 234 N HA 0.078 4.818 4.740 0.001 0.000 0.246 234 N C 0.961 176.453 175.510 -0.030 0.000 1.260 234 N CA 0.608 53.641 53.050 -0.028 0.000 0.897 234 N CB 0.887 39.351 38.487 -0.038 0.000 1.110 234 N HN 0.771 nan 8.380 nan 0.000 0.439 235 G N 0.074 108.834 108.800 -0.067 0.000 2.396 235 G HA2 -0.409 3.552 3.960 0.001 0.000 0.242 235 G HA3 -0.409 3.552 3.960 0.001 0.000 0.242 235 G C 1.165 175.967 174.900 -0.164 0.000 1.069 235 G CA 1.433 46.452 45.100 -0.135 0.000 0.633 235 G HN 1.220 nan 8.290 nan 0.000 0.517 236 S N 0.584 116.290 115.700 0.010 0.000 2.383 236 S HA 0.062 4.532 4.470 0.001 0.000 0.229 236 S C 2.035 176.708 174.600 0.121 0.000 1.030 236 S CA 1.524 59.822 58.200 0.163 0.000 1.002 236 S CB -0.335 62.936 63.200 0.118 0.000 0.829 236 S HN 0.620 nan 8.310 nan 0.000 0.467 237 L N 2.303 123.532 121.223 0.010 0.000 2.660 237 L HA 0.185 4.526 4.340 0.001 0.000 0.238 237 L C 2.362 179.191 176.870 -0.069 0.000 1.161 237 L CA 0.590 55.434 54.840 0.006 0.000 0.937 237 L CB -0.494 41.566 42.059 0.001 0.000 1.122 237 L HN 0.598 nan 8.230 nan 0.000 0.435 238 S N -1.041 114.519 115.700 -0.233 0.000 2.486 238 S HA 0.001 4.471 4.470 0.001 0.000 0.220 238 S C 1.495 175.874 174.600 -0.368 0.000 1.011 238 S CA 0.090 58.076 58.200 -0.356 0.000 0.921 238 S CB -0.196 62.684 63.200 -0.533 0.000 0.785 238 S HN 0.377 nan 8.310 nan 0.000 0.517 239 F N 1.100 121.038 119.950 -0.020 0.000 2.748 239 F HA 0.361 4.889 4.527 0.001 0.000 0.299 239 F C 0.292 176.088 175.800 -0.007 0.000 1.154 239 F CA -0.038 57.949 58.000 -0.023 0.000 1.446 239 F CB -0.025 38.949 39.000 -0.044 0.000 1.112 239 F HN 0.191 nan 8.300 nan 0.000 0.584 240 L N 1.069 122.358 121.223 0.110 0.000 2.923 240 L HA 0.282 4.622 4.340 0.001 0.000 0.231 240 L C -1.450 175.439 176.870 0.031 0.000 1.300 240 L CA -1.833 53.057 54.840 0.083 0.000 1.184 240 L CB -0.733 41.371 42.059 0.075 0.000 1.511 240 L HN -0.206 nan 8.230 nan 0.000 0.448 241 P HA -0.238 nan 4.420 nan 0.000 0.219 241 P C 1.373 178.655 177.300 -0.030 0.000 1.158 241 P CA 1.933 65.027 63.100 -0.011 0.000 0.895 241 P CB 0.035 31.737 31.700 0.002 0.000 0.792 242 T N -4.553 109.987 114.554 -0.023 0.000 3.107 242 T HA 0.132 4.483 4.350 0.001 0.000 0.249 242 T C 0.676 175.306 174.700 -0.116 0.000 1.096 242 T CA -0.399 61.646 62.100 -0.092 0.000 1.012 242 T CB -0.820 67.972 68.868 -0.127 0.000 0.977 242 T HN -0.131 nan 8.240 nan 0.000 0.527 243 L N 2.455 123.656 121.223 -0.036 0.000 2.678 243 L HA 0.044 4.385 4.340 0.001 0.000 0.285 243 L C 1.187 178.017 176.870 -0.067 0.000 1.233 243 L CA 0.613 55.439 54.840 -0.024 0.000 0.920 243 L CB 0.255 42.317 42.059 0.005 0.000 1.176 243 L HN 0.135 nan 8.230 nan 0.000 0.495 244 R N 2.395 122.850 120.500 -0.075 0.000 2.225 244 R HA 0.292 4.632 4.340 0.001 0.000 0.194 244 R C -0.344 175.931 176.300 -0.042 0.000 0.949 244 R CA 0.035 56.084 56.100 -0.085 0.000 1.088 244 R CB 0.451 30.673 30.300 -0.130 0.000 1.106 244 R HN 0.637 nan 8.270 nan 0.000 0.566 245 E N 1.084 121.257 120.200 -0.046 0.000 2.248 245 E HA 0.311 4.661 4.350 0.001 0.000 0.267 245 E C -1.647 174.890 176.600 -0.104 0.000 0.877 245 E CA -0.833 55.518 56.400 -0.081 0.000 0.759 245 E CB 2.758 32.365 29.700 -0.155 0.000 1.182 245 E HN -0.174 nan 8.360 nan 0.000 0.418 246 L N 3.000 124.189 121.223 -0.057 0.000 2.485 246 L HA 0.278 4.619 4.340 0.001 0.000 0.260 246 L C -1.366 175.555 176.870 0.084 0.000 0.998 246 L CA -0.215 54.615 54.840 -0.017 0.000 0.883 246 L CB 0.622 42.708 42.059 0.045 0.000 1.196 246 L HN 0.560 nan 8.230 nan 0.000 0.443 247 H N 4.928 123.951 119.070 -0.078 0.000 2.610 247 H HA 0.433 4.989 4.556 0.001 0.000 0.336 247 H C -0.215 175.117 175.328 0.007 0.000 1.087 247 H CA -0.583 55.470 56.048 0.008 0.000 1.405 247 H CB 1.927 31.724 29.762 0.059 0.000 1.460 247 H HN 0.499 nan 8.280 nan 0.000 0.538 248 L N 3.262 124.561 121.223 0.127 0.000 3.573 248 L HA 0.105 4.446 4.340 0.001 0.000 0.335 248 L C -0.318 176.494 176.870 -0.097 0.000 1.321 248 L CA -0.104 54.745 54.840 0.015 0.000 1.009 248 L CB -0.155 41.915 42.059 0.019 0.000 1.417 248 L HN 0.719 nan 8.230 nan 0.000 0.619 249 D N -1.716 118.568 120.400 -0.192 0.000 2.377 249 D HA 0.124 4.764 4.640 0.001 0.000 0.245 249 D C 0.276 176.359 176.300 -0.361 0.000 1.196 249 D CA -0.107 53.608 54.000 -0.475 0.000 0.962 249 D CB 0.200 40.409 40.800 -0.985 0.000 1.127 249 D HN 0.154 nan 8.370 nan 0.000 0.471 250 N N 0.648 119.095 118.700 -0.422 0.000 2.738 250 N HA -0.176 4.565 4.740 0.001 0.000 0.249 250 N C -1.024 174.321 175.510 -0.276 0.000 1.047 250 N CA 0.309 53.120 53.050 -0.400 0.000 0.707 250 N CB -1.021 37.029 38.487 -0.728 0.000 0.937 250 N HN 0.524 nan 8.380 nan 0.000 0.545 251 N N 0.018 118.599 118.700 -0.199 0.000 3.283 251 N HA 0.300 5.041 4.740 0.001 0.000 0.338 251 N C 0.088 175.537 175.510 -0.103 0.000 1.517 251 N CA -0.606 52.366 53.050 -0.129 0.000 0.733 251 N CB 0.789 39.214 38.487 -0.103 0.000 1.797 251 N HN -0.037 nan 8.380 nan 0.000 0.637 252 K N 1.126 121.482 120.400 -0.073 0.000 2.493 252 K HA 0.359 4.680 4.320 0.001 0.000 0.207 252 K C 0.193 176.760 176.600 -0.055 0.000 1.033 252 K CA -0.205 56.048 56.287 -0.057 0.000 1.161 252 K CB -0.251 32.226 32.500 -0.040 0.000 0.873 252 K HN 0.401 nan 8.250 nan 0.000 0.491 253 L N 1.263 122.445 121.223 -0.067 0.000 2.499 253 L HA -0.079 4.262 4.340 0.001 0.000 0.281 253 L C 1.386 178.221 176.870 -0.059 0.000 1.234 253 L CA 0.425 55.227 54.840 -0.062 0.000 0.839 253 L CB 0.449 42.464 42.059 -0.073 0.000 1.104 253 L HN 0.197 nan 8.230 nan 0.000 0.500 254 S N 0.129 115.797 115.700 -0.053 0.000 2.589 254 S HA 0.210 4.681 4.470 0.001 0.000 0.235 254 S C 0.156 174.723 174.600 -0.056 0.000 1.051 254 S CA -0.682 57.489 58.200 -0.049 0.000 0.978 254 S CB 0.495 63.672 63.200 -0.039 0.000 0.929 254 S HN 0.757 nan 8.310 nan 0.000 0.523 255 R N 0.060 120.521 120.500 -0.064 0.000 2.707 255 R HA 0.713 5.054 4.340 0.001 0.000 0.272 255 R C -1.493 174.747 176.300 -0.099 0.000 1.011 255 R CA -0.981 55.071 56.100 -0.079 0.000 0.893 255 R CB 1.011 31.267 30.300 -0.075 0.000 1.233 255 R HN -0.068 nan 8.270 nan 0.000 0.464 256 V N 3.136 122.966 119.914 -0.141 0.000 2.644 256 V HA 0.076 4.197 4.120 0.001 0.000 0.305 256 V C -1.575 174.427 176.094 -0.153 0.000 1.053 256 V CA -0.625 61.565 62.300 -0.183 0.000 1.186 256 V CB -0.123 31.475 31.823 -0.374 0.000 0.895 256 V HN 0.751 nan 8.190 nan 0.000 0.490 257 P HA 0.129 nan 4.420 nan 0.000 0.264 257 P C -0.314 176.936 177.300 -0.083 0.000 1.193 257 P CA -0.000 63.056 63.100 -0.072 0.000 0.763 257 P CB 0.509 32.187 31.700 -0.038 0.000 0.810 258 A N 2.829 125.607 122.820 -0.070 0.000 2.488 258 A HA 0.480 4.800 4.320 0.001 0.000 0.249 258 A C 1.407 178.958 177.584 -0.056 0.000 1.083 258 A CA 0.734 52.729 52.037 -0.071 0.000 0.768 258 A CB -0.893 18.071 19.000 -0.060 0.000 1.017 258 A HN 0.841 nan 8.150 nan 0.000 0.496 259 G N 1.105 109.872 108.800 -0.054 0.000 2.421 259 G HA2 -0.206 3.755 3.960 0.001 0.000 0.188 259 G HA3 -0.206 3.755 3.960 0.001 0.000 0.188 259 G C 0.985 175.881 174.900 -0.006 0.000 1.001 259 G CA 0.146 45.223 45.100 -0.039 0.000 0.693 259 G HN 0.615 nan 8.290 nan 0.000 0.479 260 L N 1.024 122.255 121.223 0.013 0.000 2.011 260 L HA -0.171 4.169 4.340 0.001 0.000 0.225 260 L C 0.293 177.257 176.870 0.156 0.000 1.084 260 L CA 2.949 57.853 54.840 0.107 0.000 0.791 260 L CB -1.638 40.495 42.059 0.124 0.000 0.898 260 L HN 0.243 nan 8.230 nan 0.000 0.440 261 P HA -0.147 nan 4.420 nan 0.000 0.217 261 P C 0.772 178.109 177.300 0.062 0.000 1.148 261 P CA 1.421 64.602 63.100 0.135 0.000 0.828 261 P CB -0.071 31.686 31.700 0.095 0.000 0.783 262 D N -1.200 119.214 120.400 0.024 0.000 2.317 262 D HA -0.003 4.637 4.640 0.001 0.000 0.211 262 D C 0.579 176.865 176.300 -0.023 0.000 0.966 262 D CA 0.486 54.480 54.000 -0.011 0.000 0.876 262 D CB -0.444 40.335 40.800 -0.036 0.000 0.927 262 D HN 0.202 nan 8.370 nan 0.000 0.519 263 L N 1.206 122.424 121.223 -0.008 0.000 2.385 263 L HA 0.144 4.485 4.340 0.001 0.000 0.285 263 L C 1.208 178.047 176.870 -0.052 0.000 1.125 263 L CA -0.329 54.497 54.840 -0.023 0.000 0.890 263 L CB 0.710 42.771 42.059 0.003 0.000 1.251 263 L HN -0.284 nan 8.230 nan 0.000 0.445 264 K N 2.242 122.603 120.400 -0.066 0.000 2.286 264 K HA -0.133 4.187 4.320 0.001 0.000 0.203 264 K C 1.062 177.588 176.600 -0.123 0.000 1.045 264 K CA 1.295 57.529 56.287 -0.089 0.000 0.935 264 K CB -0.032 32.420 32.500 -0.079 0.000 0.737 264 K HN 0.392 nan 8.250 nan 0.000 0.460 265 L N -0.507 120.646 121.223 -0.118 0.000 2.858 265 L HA 0.230 4.570 4.340 0.001 0.000 0.251 265 L C -0.510 176.279 176.870 -0.134 0.000 1.149 265 L CA -0.216 54.540 54.840 -0.141 0.000 0.955 265 L CB 0.185 42.154 42.059 -0.150 0.000 1.289 265 L HN 0.031 nan 8.230 nan 0.000 0.542 266 L N 0.381 121.539 121.223 -0.109 0.000 2.654 266 L HA -0.084 4.257 4.340 0.001 0.000 0.271 266 L C 1.208 178.009 176.870 -0.116 0.000 1.169 266 L CA 1.171 55.981 54.840 -0.050 0.000 0.947 266 L CB 0.312 42.410 42.059 0.064 0.000 1.232 266 L HN 0.356 nan 8.230 nan 0.000 0.486 267 Q N 2.937 122.716 119.800 -0.034 0.000 2.423 267 Q HA 0.232 4.572 4.340 0.001 0.000 0.231 267 Q C -0.486 175.597 176.000 0.138 0.000 0.894 267 Q CA 0.225 56.021 55.803 -0.012 0.000 0.938 267 Q CB 1.082 29.808 28.738 -0.020 0.000 1.079 267 Q HN 0.507 nan 8.270 nan 0.000 0.552 268 V N 0.852 120.844 119.914 0.129 0.000 2.462 268 V HA 0.467 4.588 4.120 0.001 0.000 0.288 268 V C -1.382 174.786 176.094 0.123 0.000 1.020 268 V CA -0.702 61.679 62.300 0.134 0.000 0.857 268 V CB 1.616 33.457 31.823 0.031 0.000 1.013 268 V HN -0.074 nan 8.190 nan 0.000 0.431 269 V N 8.297 128.325 119.914 0.190 0.000 2.472 269 V HA 0.588 4.709 4.120 0.001 0.000 0.290 269 V C -1.025 175.228 176.094 0.265 0.000 1.037 269 V CA -0.324 62.089 62.300 0.188 0.000 0.908 269 V CB 1.751 33.708 31.823 0.223 0.000 0.985 269 V HN 0.839 nan 8.190 nan 0.000 0.454 270 Y N 6.371 126.713 120.300 0.070 0.000 2.328 270 Y HA 0.434 4.985 4.550 0.001 0.000 0.337 270 Y C 0.736 176.565 175.900 -0.117 0.000 0.966 270 Y CA -0.882 57.206 58.100 -0.020 0.000 1.136 270 Y CB 2.022 40.422 38.460 -0.101 0.000 1.170 270 Y HN 0.520 nan 8.280 nan 0.000 0.470 271 L N 3.211 124.401 121.223 -0.054 0.000 2.920 271 L HA 0.070 4.411 4.340 0.001 0.000 0.257 271 L C 0.472 177.123 176.870 -0.364 0.000 1.150 271 L CA -0.304 54.433 54.840 -0.171 0.000 0.959 271 L CB 0.100 42.124 42.059 -0.059 0.000 1.321 271 L HN 0.739 nan 8.230 nan 0.000 0.555 272 H N -1.580 117.176 119.070 -0.523 0.000 3.025 272 H HA -0.068 4.489 4.556 0.001 0.000 0.365 272 H C 0.753 175.784 175.328 -0.495 0.000 1.204 272 H CA 0.603 56.175 56.048 -0.794 0.000 1.406 272 H CB -0.201 28.514 29.762 -1.745 0.000 1.355 272 H HN 0.011 nan 8.280 nan 0.000 0.610 273 T N -0.330 114.043 114.554 -0.301 0.000 4.242 273 T HA -0.285 4.066 4.350 0.001 0.000 0.327 273 T C 0.571 175.166 174.700 -0.176 0.000 0.837 273 T CA 1.168 63.170 62.100 -0.163 0.000 1.949 273 T CB -1.371 67.441 68.868 -0.094 0.000 1.943 273 T HN 0.775 nan 8.240 nan 0.000 0.863 274 N N 0.691 119.278 118.700 -0.189 0.000 2.379 274 N HA 0.270 5.011 4.740 0.001 0.000 0.284 274 N C 0.953 176.406 175.510 -0.095 0.000 1.330 274 N CA -0.155 52.808 53.050 -0.144 0.000 0.933 274 N CB 0.147 38.548 38.487 -0.145 0.000 1.078 274 N HN 0.299 nan 8.380 nan 0.000 0.490 275 N N -0.298 118.355 118.700 -0.079 0.000 2.377 275 N HA 0.294 5.034 4.740 0.001 0.000 0.259 275 N C -1.109 174.371 175.510 -0.051 0.000 1.332 275 N CA -0.131 52.886 53.050 -0.055 0.000 0.877 275 N CB 0.108 38.567 38.487 -0.046 0.000 1.299 275 N HN 0.341 nan 8.380 nan 0.000 0.501 276 I N 0.513 121.046 120.570 -0.061 0.000 2.598 276 I HA -0.021 4.150 4.170 0.001 0.000 0.284 276 I C 1.446 177.539 176.117 -0.039 0.000 1.140 276 I CA 0.331 61.597 61.300 -0.056 0.000 1.420 276 I CB 1.267 39.225 38.000 -0.068 0.000 1.387 276 I HN 0.215 nan 8.210 nan 0.000 0.553 277 T N 5.364 119.896 114.554 -0.037 0.000 3.087 277 T HA 0.062 4.413 4.350 0.001 0.000 0.237 277 T C 0.656 175.339 174.700 -0.028 0.000 0.990 277 T CA 0.340 62.423 62.100 -0.029 0.000 1.160 277 T CB 0.293 69.145 68.868 -0.027 0.000 0.923 277 T HN 0.571 nan 8.240 nan 0.000 0.442 278 K N 1.207 121.586 120.400 -0.035 0.000 2.259 278 K HA 0.593 4.914 4.320 0.001 0.000 0.252 278 K C -1.737 174.832 176.600 -0.051 0.000 0.936 278 K CA -0.680 55.584 56.287 -0.037 0.000 0.810 278 K CB 2.158 34.635 32.500 -0.040 0.000 1.143 278 K HN 0.078 nan 8.250 nan 0.000 0.427 279 V N 3.473 123.359 119.914 -0.046 0.000 2.266 279 V HA 0.290 4.411 4.120 0.001 0.000 0.271 279 V C 0.600 176.632 176.094 -0.103 0.000 1.032 279 V CA -0.899 61.356 62.300 -0.075 0.000 0.806 279 V CB 0.816 32.627 31.823 -0.019 0.000 1.052 279 V HN 0.965 nan 8.190 nan 0.000 0.449 280 G N 2.731 111.457 108.800 -0.123 0.000 2.464 280 G HA2 0.221 4.182 3.960 0.001 0.000 0.231 280 G HA3 0.221 4.182 3.960 0.001 0.000 0.231 280 G C 1.125 175.946 174.900 -0.130 0.000 1.267 280 G CA -0.030 45.001 45.100 -0.115 0.000 0.863 280 G HN 0.555 nan 8.290 nan 0.000 0.559 281 V N 1.655 121.509 119.914 -0.100 0.000 2.594 281 V HA -0.136 3.985 4.120 0.001 0.000 0.253 281 V C 1.305 177.356 176.094 -0.071 0.000 1.069 281 V CA 1.671 63.913 62.300 -0.096 0.000 1.082 281 V CB -0.454 31.329 31.823 -0.066 0.000 0.680 281 V HN 0.645 nan 8.190 nan 0.000 0.469 282 N N -0.038 118.623 118.700 -0.065 0.000 2.538 282 N HA 0.143 4.884 4.740 0.001 0.000 0.291 282 N C 0.263 175.725 175.510 -0.081 0.000 1.323 282 N CA -0.014 53.016 53.050 -0.034 0.000 0.934 282 N CB 0.624 39.102 38.487 -0.016 0.000 1.255 282 N HN 0.343 nan 8.380 nan 0.000 0.509 283 D N -0.809 119.484 120.400 -0.178 0.000 2.271 283 D HA 0.103 4.743 4.640 0.001 0.000 0.206 283 D C 0.782 176.820 176.300 -0.437 0.000 0.967 283 D CA 0.788 54.566 54.000 -0.369 0.000 0.867 283 D CB 0.250 40.696 40.800 -0.591 0.000 0.960 283 D HN 0.207 nan 8.370 nan 0.000 0.509 284 F N -0.212 119.754 119.950 0.027 0.000 2.532 284 F HA 0.208 4.735 4.527 0.001 0.000 0.278 284 F C 1.200 177.174 175.800 0.291 0.000 0.975 284 F CA -0.229 57.832 58.000 0.102 0.000 1.292 284 F CB -0.208 38.749 39.000 -0.073 0.000 1.112 284 F HN -0.194 nan 8.300 nan 0.000 0.703 285 c N 2.045 120.870 118.600 0.375 0.000 2.520 285 c HA 0.444 5.015 4.570 0.001 0.000 0.376 285 c C -1.954 172.251 174.090 0.192 0.000 1.268 285 c CA -1.165 55.344 56.329 0.301 0.000 2.414 285 c CB 0.620 43.261 42.510 0.219 0.000 2.521 285 c HN 0.062 nan 8.230 nan 0.000 0.618 286 P HA 0.290 nan 4.420 nan 0.000 0.278 286 P C 0.435 177.807 177.300 0.120 0.000 1.258 286 P CA -0.329 62.846 63.100 0.125 0.000 0.811 286 P CB 0.442 32.214 31.700 0.120 0.000 1.063 287 V N 0.269 120.232 119.914 0.081 0.000 2.323 287 V HA -0.016 4.105 4.120 0.001 0.000 0.244 287 V C 1.598 177.749 176.094 0.094 0.000 1.041 287 V CA 2.200 64.542 62.300 0.071 0.000 1.025 287 V CB -1.355 30.492 31.823 0.039 0.000 0.656 287 V HN 0.796 nan 8.190 nan 0.000 0.451 288 G N -0.182 108.671 108.800 0.089 0.000 3.963 288 G HA2 0.315 4.276 3.960 0.001 0.000 0.315 288 G HA3 0.315 4.276 3.960 0.001 0.000 0.315 288 G C -0.177 174.794 174.900 0.119 0.000 1.254 288 G CA -0.563 44.592 45.100 0.091 0.000 1.395 288 G HN 0.322 nan 8.290 nan 0.000 0.538 289 F N 3.084 123.059 119.950 0.042 0.000 2.473 289 F HA 0.196 4.724 4.527 0.001 0.000 0.405 289 F C 1.095 176.919 175.800 0.041 0.000 0.988 289 F CA 0.182 58.215 58.000 0.055 0.000 1.096 289 F CB 0.503 39.558 39.000 0.092 0.000 0.944 289 F HN 0.338 nan 8.300 nan 0.000 0.530 290 G N 4.136 112.721 108.800 -0.358 0.000 2.935 290 G HA2 0.255 4.216 3.960 0.001 0.000 0.157 290 G HA3 0.255 4.216 3.960 0.001 0.000 0.157 290 G C 0.467 175.015 174.900 -0.586 0.000 1.712 290 G CA 0.397 45.258 45.100 -0.398 0.000 1.071 290 G HN 0.594 nan 8.290 nan 0.000 0.539 291 V N -0.790 118.926 119.914 -0.330 0.000 3.155 291 V HA 0.074 4.195 4.120 0.001 0.000 0.225 291 V C 2.164 178.163 176.094 -0.159 0.000 1.462 291 V CA 1.122 63.279 62.300 -0.238 0.000 1.270 291 V CB 0.457 32.188 31.823 -0.154 0.000 1.112 291 V HN 0.619 nan 8.190 nan 0.000 0.479 292 K N 1.295 121.610 120.400 -0.143 0.000 2.283 292 K HA -0.013 4.308 4.320 0.001 0.000 0.202 292 K C 1.422 177.938 176.600 -0.140 0.000 1.048 292 K CA 0.857 57.074 56.287 -0.117 0.000 0.948 292 K CB -0.209 32.235 32.500 -0.093 0.000 0.742 292 K HN 0.245 nan 8.250 nan 0.000 0.458 293 R N 0.942 121.346 120.500 -0.160 0.000 3.255 293 R HA 0.249 4.589 4.340 0.001 0.000 0.268 293 R C -0.479 175.638 176.300 -0.305 0.000 1.121 293 R CA 0.752 56.747 56.100 -0.176 0.000 1.133 293 R CB -0.083 30.165 30.300 -0.087 0.000 1.038 293 R HN 0.340 nan 8.270 nan 0.000 0.523 294 A N 0.345 122.959 122.820 -0.344 0.000 2.386 294 A HA 0.557 4.878 4.320 0.001 0.000 0.311 294 A C -1.550 175.756 177.584 -0.462 0.000 1.068 294 A CA -0.583 51.210 52.037 -0.406 0.000 0.743 294 A CB 0.927 19.757 19.000 -0.284 0.000 1.258 294 A HN 0.600 nan 8.150 nan 0.000 0.429 295 Y N 0.329 120.586 120.300 -0.072 0.000 2.361 295 Y HA 0.446 4.996 4.550 0.001 0.000 0.332 295 Y C -0.365 175.469 175.900 -0.110 0.000 1.101 295 Y CA -0.453 57.611 58.100 -0.061 0.000 1.137 295 Y CB 1.044 39.516 38.460 0.020 0.000 1.207 295 Y HN 0.627 nan 8.280 nan 0.000 0.463 296 Y N 1.232 121.638 120.300 0.177 0.000 2.511 296 Y HA -0.053 4.498 4.550 0.001 0.000 0.332 296 Y C 1.225 177.162 175.900 0.063 0.000 1.177 296 Y CA 0.388 58.535 58.100 0.079 0.000 1.422 296 Y CB 0.344 38.814 38.460 0.015 0.000 1.271 296 Y HN 0.678 nan 8.280 nan 0.000 0.550 297 N N 0.960 119.779 118.700 0.199 0.000 2.205 297 N HA 0.229 4.970 4.740 0.001 0.000 0.201 297 N C -0.372 175.202 175.510 0.107 0.000 1.128 297 N CA 0.155 53.279 53.050 0.124 0.000 0.867 297 N CB 0.372 38.912 38.487 0.089 0.000 0.996 297 N HN 0.872 nan 8.380 nan 0.000 0.503 298 G N 1.064 109.936 108.800 0.121 0.000 2.219 298 G HA2 0.323 4.284 3.960 0.001 0.000 0.304 298 G HA3 0.323 4.284 3.960 0.001 0.000 0.304 298 G C -1.770 173.154 174.900 0.041 0.000 1.712 298 G CA -0.632 44.517 45.100 0.080 0.000 0.905 298 G HN 0.058 nan 8.290 nan 0.000 0.706 299 I N 1.835 122.338 120.570 -0.112 0.000 2.533 299 I HA 0.514 4.685 4.170 0.001 0.000 0.290 299 I C 0.313 176.315 176.117 -0.191 0.000 1.056 299 I CA -0.855 60.293 61.300 -0.253 0.000 1.057 299 I CB 2.529 40.090 38.000 -0.732 0.000 1.240 299 I HN 0.632 nan 8.210 nan 0.000 0.423 300 S N 5.762 121.401 115.700 -0.102 0.000 2.549 300 S HA 0.715 5.186 4.470 0.001 0.000 0.297 300 S C -0.250 174.190 174.600 -0.266 0.000 1.115 300 S CA -0.500 57.612 58.200 -0.146 0.000 1.059 300 S CB 2.708 65.778 63.200 -0.216 0.000 1.046 300 S HN 0.596 nan 8.310 nan 0.000 0.506 301 L N 0.593 121.626 121.223 -0.317 0.000 3.712 301 L HA 0.381 4.722 4.340 0.001 0.000 0.357 301 L C -0.033 176.694 176.870 -0.239 0.000 1.071 301 L CA -0.157 54.436 54.840 -0.411 0.000 1.346 301 L CB -0.413 41.119 42.059 -0.878 0.000 1.923 301 L HN 0.830 nan 8.230 nan 0.000 0.621 302 F N 0.393 120.372 119.950 0.048 0.000 2.668 302 F HA 0.123 4.651 4.527 0.001 0.000 0.338 302 F C 1.166 177.006 175.800 0.066 0.000 1.194 302 F CA 0.145 58.212 58.000 0.112 0.000 1.385 302 F CB -0.302 38.708 39.000 0.016 0.000 1.088 302 F HN 0.178 nan 8.300 nan 0.000 0.624 303 N N 1.495 120.364 118.700 0.281 0.000 2.714 303 N HA -0.258 4.483 4.740 0.001 0.000 0.253 303 N C -1.548 173.972 175.510 0.016 0.000 1.024 303 N CA 0.916 54.048 53.050 0.138 0.000 0.726 303 N CB -1.289 37.304 38.487 0.177 0.000 0.908 303 N HN 0.751 nan 8.380 nan 0.000 0.542 304 N N -0.428 118.293 118.700 0.035 0.000 2.308 304 N HA 0.374 5.115 4.740 0.001 0.000 0.283 304 N C -2.697 172.829 175.510 0.025 0.000 1.105 304 N CA -1.142 51.908 53.050 -0.000 0.000 0.840 304 N CB 1.772 40.242 38.487 -0.028 0.000 1.633 304 N HN -0.132 nan 8.380 nan 0.000 0.476 305 P HA 0.137 nan 4.420 nan 0.000 0.263 305 P C -1.077 176.211 177.300 -0.018 0.000 1.601 305 P CA 0.131 63.226 63.100 -0.009 0.000 1.161 305 P CB 0.148 31.841 31.700 -0.012 0.000 1.730 306 V N 5.186 125.086 119.914 -0.024 0.000 2.972 306 V HA 0.233 4.354 4.120 0.001 0.000 0.256 306 V C -2.899 173.144 176.094 -0.085 0.000 1.564 306 V CA -1.327 60.945 62.300 -0.046 0.000 0.895 306 V CB 2.169 34.016 31.823 0.040 0.000 1.143 306 V HN 0.187 nan 8.190 nan 0.000 0.480 307 P HA 0.213 nan 4.420 nan 0.000 0.277 307 P C 0.419 177.397 177.300 -0.536 0.000 1.240 307 P CA -0.055 62.579 63.100 -0.777 0.000 0.798 307 P CB 0.761 31.154 31.700 -2.178 0.000 0.979 308 Y N 2.331 122.225 120.300 -0.676 0.000 2.219 308 Y HA -0.203 4.348 4.550 0.001 0.000 0.283 308 Y C 1.806 177.594 175.900 -0.186 0.000 1.191 308 Y CA 1.738 59.451 58.100 -0.646 0.000 1.199 308 Y CB -0.807 37.345 38.460 -0.515 0.000 0.972 308 Y HN 0.554 nan 8.280 nan 0.000 0.527 309 W N -0.192 121.040 121.300 -0.114 0.000 3.180 309 W HA 0.216 4.877 4.660 0.001 0.000 0.254 309 W C 1.311 177.779 176.519 -0.084 0.000 1.318 309 W CA 0.581 57.841 57.345 -0.141 0.000 1.608 309 W CB -0.567 28.847 29.460 -0.076 0.000 1.124 309 W HN 0.053 nan 8.180 nan 0.000 0.694 310 E N 0.599 120.687 120.200 -0.187 0.000 2.460 310 E HA 0.062 4.412 4.350 0.001 0.000 0.200 310 E C 0.025 176.600 176.600 -0.042 0.000 1.011 310 E CA 0.066 56.411 56.400 -0.090 0.000 0.912 310 E CB 0.505 30.088 29.700 -0.195 0.000 0.953 310 E HN 0.021 nan 8.360 nan 0.000 0.494 311 V N 1.962 121.851 119.914 -0.042 0.000 2.313 311 V HA 0.296 4.417 4.120 0.001 0.000 0.278 311 V C -0.588 175.444 176.094 -0.103 0.000 1.017 311 V CA -0.705 61.578 62.300 -0.028 0.000 0.823 311 V CB 1.067 32.959 31.823 0.115 0.000 1.010 311 V HN 0.201 nan 8.190 nan 0.000 0.443 312 Q N 7.839 127.576 119.800 -0.106 0.000 2.333 312 Q HA 0.081 4.422 4.340 0.001 0.000 0.299 312 Q C -1.635 174.284 176.000 -0.134 0.000 1.067 312 Q CA -0.181 55.558 55.803 -0.106 0.000 0.943 312 Q CB 1.311 29.999 28.738 -0.083 0.000 1.233 312 Q HN 0.600 nan 8.270 nan 0.000 0.401 313 P HA -0.227 nan 4.420 nan 0.000 0.214 313 P C 0.607 177.888 177.300 -0.032 0.000 1.163 313 P CA 2.009 65.088 63.100 -0.034 0.000 0.883 313 P CB -0.143 31.550 31.700 -0.011 0.000 0.788 314 A N -0.942 121.855 122.820 -0.039 0.000 2.117 314 A HA -0.304 4.017 4.320 0.001 0.000 0.224 314 A C 2.189 179.737 177.584 -0.059 0.000 1.167 314 A CA 2.562 54.578 52.037 -0.034 0.000 0.664 314 A CB -2.061 16.919 19.000 -0.032 0.000 0.811 314 A HN 0.221 nan 8.150 nan 0.000 0.470 315 T N -0.826 113.634 114.554 -0.156 0.000 2.684 315 T HA -0.107 4.243 4.350 0.001 0.000 0.267 315 T C 0.524 175.093 174.700 -0.218 0.000 1.036 315 T CA 1.468 63.401 62.100 -0.278 0.000 1.148 315 T CB -0.352 68.201 68.868 -0.525 0.000 0.863 315 T HN 0.446 nan 8.240 nan 0.000 0.436 316 F N 2.143 122.156 119.950 0.105 0.000 2.986 316 F HA 0.356 4.884 4.527 0.001 0.000 0.297 316 F C 1.612 177.434 175.800 0.036 0.000 1.210 316 F CA -1.342 56.701 58.000 0.071 0.000 1.346 316 F CB -0.546 38.485 39.000 0.053 0.000 1.007 316 F HN 0.107 nan 8.300 nan 0.000 0.512 317 R N -0.324 120.259 120.500 0.138 0.000 2.073 317 R HA -0.159 4.182 4.340 0.001 0.000 0.234 317 R C 1.908 178.179 176.300 -0.049 0.000 1.134 317 R CA 1.936 58.044 56.100 0.013 0.000 0.952 317 R CB -1.520 28.747 30.300 -0.055 0.000 0.850 317 R HN 0.504 nan 8.270 nan 0.000 0.433 318 c N 0.201 118.825 118.600 0.039 0.000 2.539 318 c HA 0.357 4.928 4.570 0.001 0.000 0.268 318 c C 1.577 175.787 174.090 0.200 0.000 1.395 318 c CA -1.100 55.274 56.329 0.076 0.000 1.757 318 c CB -0.840 41.798 42.510 0.213 0.000 1.851 318 c HN 0.316 nan 8.230 nan 0.000 0.545 319 V N 3.120 123.164 119.914 0.217 0.000 3.287 319 V HA 0.301 4.421 4.120 0.001 0.000 0.306 319 V C 1.623 177.723 176.094 0.010 0.000 1.103 319 V CA 1.517 63.923 62.300 0.177 0.000 1.159 319 V CB 1.248 33.114 31.823 0.071 0.000 1.036 319 V HN 0.744 nan 8.190 nan 0.000 0.487 320 T N 1.679 116.240 114.554 0.011 0.000 3.139 320 T HA 0.109 4.460 4.350 0.001 0.000 0.226 320 T C 0.839 175.507 174.700 -0.054 0.000 1.010 320 T CA 0.663 62.721 62.100 -0.071 0.000 1.487 320 T CB -0.475 68.387 68.868 -0.011 0.000 1.204 320 T HN 0.734 nan 8.240 nan 0.000 0.437 321 D N -0.081 120.304 120.400 -0.026 0.000 2.356 321 D HA 0.242 4.882 4.640 0.001 0.000 0.258 321 D C 1.375 177.659 176.300 -0.027 0.000 1.279 321 D CA -0.544 53.441 54.000 -0.024 0.000 1.016 321 D CB 0.568 41.359 40.800 -0.016 0.000 1.107 321 D HN 0.072 nan 8.370 nan 0.000 0.544 322 R N -0.165 120.322 120.500 -0.023 0.000 2.146 322 R HA 0.086 4.426 4.340 0.001 0.000 0.206 322 R C 1.733 177.997 176.300 -0.060 0.000 1.049 322 R CA 0.232 56.317 56.100 -0.025 0.000 1.029 322 R CB -0.680 29.619 30.300 -0.001 0.000 0.949 322 R HN 0.362 nan 8.270 nan 0.000 0.471 323 L N 0.964 122.160 121.223 -0.046 0.000 2.549 323 L HA 0.026 4.367 4.340 0.001 0.000 0.230 323 L C 1.807 178.645 176.870 -0.053 0.000 1.162 323 L CA 1.245 56.055 54.840 -0.050 0.000 0.834 323 L CB -1.580 40.459 42.059 -0.034 0.000 0.947 323 L HN 0.058 nan 8.230 nan 0.000 0.452 324 A N -0.818 121.967 122.820 -0.059 0.000 2.238 324 A HA 0.172 4.493 4.320 0.001 0.000 0.208 324 A C 1.218 178.721 177.584 -0.135 0.000 1.177 324 A CA 0.084 52.087 52.037 -0.055 0.000 0.804 324 A CB -0.302 18.683 19.000 -0.024 0.000 0.823 324 A HN 0.299 nan 8.150 nan 0.000 0.482 325 I N 1.070 121.532 120.570 -0.180 0.000 2.620 325 I HA 0.105 4.276 4.170 0.001 0.000 0.280 325 I C -0.411 175.624 176.117 -0.136 0.000 1.143 325 I CA -0.537 60.593 61.300 -0.284 0.000 1.163 325 I CB 0.695 38.413 38.000 -0.470 0.000 1.461 325 I HN 0.102 nan 8.210 nan 0.000 0.530 326 Q N 5.105 124.863 119.800 -0.071 0.000 2.242 326 Q HA 0.275 4.615 4.340 0.001 0.000 0.284 326 Q C -0.821 175.294 176.000 0.191 0.000 1.130 326 Q CA 1.137 56.956 55.803 0.028 0.000 0.940 326 Q CB 0.742 29.521 28.738 0.069 0.000 1.146 326 Q HN 0.592 nan 8.270 nan 0.000 0.388 327 F N 0.000 119.889 119.950 -0.101 0.000 2.286 327 F HA 0.000 4.528 4.527 0.001 0.000 0.279 327 F CA 0.000 57.937 58.000 -0.106 0.000 1.383 327 F CB 0.000 38.923 39.000 -0.129 0.000 1.145 327 F HN 0.000 nan 8.300 nan 0.000 0.574