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 3fvs_1_B DATA FIRST_RESID 4 DATA SEQUENCE QLQARRLDGI DYNPWVEFVK LASEHDVVNL GQGFPDFPPP DFAVEAFQHA DATA SEQUENCE VSGDFMLNQY TKTFGYPPLT KILASFFGEL LGQEIDPLRN VLVTVGGYGA DATA SEQUENCE LFTAFQALVD EGDEVIIIEP FFDCYEPMTM MAGGRPVFVS LKPGPIQNGE DATA SEQUENCE LGSSSNWQLD PMELAGKFTS RTKALVLNTP NNPLGKVFSR EELELVASLC DATA SEQUENCE QQHDVVCITD EVYQWMVYDG HQHISIASLP GMWERTLTIG SAGXTFSATG DATA SEQUENCE WKVGWVLGPD HIMKHLRTVH QNSVFHCPTQ SQAAVAESFE REQLLFRQPS DATA SEQUENCE SYFVQFPQAM QRCRDHMIRS LQSVGLKPII PQGSYFLITD ISDFKRKMPD DATA SEQUENCE LPGAVDEPYD RRFVKWMIKN KGLVAIPVSI FYSVPHQKHF DHYIRFCFVK DATA SEQUENCE DEATLQAMDE KLRKWKVEL 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 4 Q HA 0.000 nan 4.340 nan 0.000 0.214 4 Q C 0.000 176.004 176.000 0.007 0.000 1.003 4 Q CA 0.000 55.807 55.803 0.006 0.000 1.022 4 Q CB 0.000 28.742 28.738 0.006 0.000 1.108 5 L N 1.001 122.228 121.223 0.007 0.000 2.005 5 L HA -0.082 4.256 4.340 -0.003 0.000 0.207 5 L C 0.849 177.725 176.870 0.009 0.000 1.072 5 L CA 2.152 56.996 54.840 0.007 0.000 0.744 5 L CB -0.268 41.794 42.059 0.006 0.000 0.895 5 L HN 0.797 nan 8.230 nan 0.000 0.433 6 Q N 0.673 120.479 119.800 0.010 0.000 2.221 6 Q HA 0.449 4.788 4.340 -0.003 0.000 0.242 6 Q C -0.308 175.700 176.000 0.014 0.000 0.940 6 Q CA -0.191 55.619 55.803 0.012 0.000 0.896 6 Q CB 0.950 29.695 28.738 0.012 0.000 1.226 6 Q HN 0.318 nan 8.270 nan 0.000 0.463 7 A N 2.379 125.210 122.820 0.017 0.000 2.462 7 A HA 0.158 4.477 4.320 -0.003 0.000 0.243 7 A C 0.992 178.587 177.584 0.019 0.000 1.076 7 A CA -0.317 51.731 52.037 0.019 0.000 0.773 7 A CB 0.212 19.227 19.000 0.025 0.000 1.010 7 A HN 0.853 nan 8.150 nan 0.000 0.493 8 R N 0.795 121.304 120.500 0.016 0.000 2.193 8 R HA -0.147 4.191 4.340 -0.003 0.000 0.229 8 R C 2.033 178.344 176.300 0.017 0.000 1.110 8 R CA 1.520 57.629 56.100 0.014 0.000 0.988 8 R CB -0.209 30.097 30.300 0.011 0.000 0.871 8 R HN 0.895 nan 8.270 nan 0.000 0.458 9 R N 0.875 121.388 120.500 0.021 0.000 2.241 9 R HA -0.088 4.250 4.340 -0.003 0.000 0.224 9 R C 1.465 177.783 176.300 0.030 0.000 1.101 9 R CA 1.153 57.269 56.100 0.026 0.000 0.995 9 R CB -0.409 29.913 30.300 0.036 0.000 0.870 9 R HN 0.235 nan 8.270 nan 0.000 0.463 10 L N 1.080 122.320 121.223 0.028 0.000 2.558 10 L HA 0.118 4.456 4.340 -0.003 0.000 0.225 10 L C -0.181 176.704 176.870 0.025 0.000 1.128 10 L CA -0.235 54.622 54.840 0.028 0.000 0.868 10 L CB -0.412 41.661 42.059 0.024 0.000 1.006 10 L HN 0.060 nan 8.230 nan 0.000 0.454 11 D N 1.590 122.003 120.400 0.021 0.000 2.531 11 D HA 0.174 4.812 4.640 -0.003 0.000 0.239 11 D C 1.335 177.650 176.300 0.025 0.000 1.144 11 D CA 1.361 55.373 54.000 0.020 0.000 0.869 11 D CB 0.875 41.684 40.800 0.015 0.000 1.160 11 D HN 0.301 nan 8.370 nan 0.000 0.484 12 G N 2.401 111.217 108.800 0.028 0.000 2.168 12 G HA2 -0.293 3.665 3.960 -0.003 0.000 0.263 12 G HA3 -0.293 3.665 3.960 -0.003 0.000 0.263 12 G C 0.812 175.743 174.900 0.052 0.000 0.977 12 G CA 0.566 45.688 45.100 0.036 0.000 0.659 12 G HN 0.697 nan 8.290 nan 0.000 0.533 13 I N -2.274 118.325 120.570 0.048 0.000 3.947 13 I HA 0.329 4.497 4.170 -0.003 0.000 0.327 13 I C 1.308 177.451 176.117 0.044 0.000 1.519 13 I CA 0.400 61.731 61.300 0.052 0.000 1.122 13 I CB 0.170 38.195 38.000 0.042 0.000 1.146 13 I HN 0.038 nan 8.210 nan 0.000 0.442 14 D N 0.980 121.411 120.400 0.053 0.000 2.289 14 D HA -0.172 4.466 4.640 -0.003 0.000 0.207 14 D C 0.685 177.014 176.300 0.049 0.000 0.966 14 D CA 0.228 54.251 54.000 0.039 0.000 0.868 14 D CB -0.214 40.610 40.800 0.039 0.000 0.943 14 D HN 0.498 nan 8.370 nan 0.000 0.514 15 Y N 2.307 122.583 120.300 -0.041 0.000 2.436 15 Y HA 0.260 4.808 4.550 -0.003 0.000 0.336 15 Y C -0.405 175.443 175.900 -0.086 0.000 1.049 15 Y CA -0.839 57.219 58.100 -0.070 0.000 1.294 15 Y CB 0.403 38.816 38.460 -0.079 0.000 1.179 15 Y HN -0.231 nan 8.280 nan 0.000 0.520 16 N N 8.954 127.181 118.700 -0.788 0.000 2.518 16 N HA 0.306 5.044 4.740 -0.003 0.000 0.254 16 N C -2.242 172.643 175.510 -1.041 0.000 0.979 16 N CA -2.448 50.206 53.050 -0.660 0.000 0.930 16 N CB 1.715 40.029 38.487 -0.289 0.000 1.152 16 N HN 0.413 nan 8.380 nan 0.000 0.505 17 P HA -0.028 nan 4.420 nan 0.000 0.223 17 P C 0.899 177.353 177.300 -1.409 0.000 1.151 17 P CA 0.819 63.097 63.100 -1.371 0.000 0.787 17 P CB 0.145 31.104 31.700 -1.235 0.000 0.788 18 W N 0.956 121.855 121.300 -0.669 0.000 2.402 18 W HA -0.101 4.557 4.660 -0.003 0.000 0.286 18 W C 2.501 178.876 176.519 -0.241 0.000 1.221 18 W CA 0.968 58.107 57.345 -0.344 0.000 1.257 18 W CB -1.249 28.132 29.460 -0.131 0.000 1.120 18 W HN -0.179 nan 8.180 nan 0.000 0.551 19 V N -1.425 118.435 119.914 -0.089 0.000 2.343 19 V HA -0.287 3.831 4.120 -0.003 0.000 0.247 19 V C 1.900 177.959 176.094 -0.058 0.000 1.051 19 V CA 2.352 64.621 62.300 -0.051 0.000 1.036 19 V CB -1.018 30.759 31.823 -0.076 0.000 0.654 19 V HN 0.318 nan 8.190 nan 0.000 0.451 20 E N 0.189 120.278 120.200 -0.185 0.000 2.047 20 E HA -0.160 4.188 4.350 -0.003 0.000 0.191 20 E C 2.089 178.731 176.600 0.070 0.000 0.987 20 E CA 1.753 58.097 56.400 -0.094 0.000 0.799 20 E CB -0.302 29.302 29.700 -0.160 0.000 0.752 20 E HN 0.752 nan 8.360 nan 0.000 0.449 21 F N 0.375 120.312 119.950 -0.022 0.000 2.095 21 F HA -0.227 4.298 4.527 -0.003 0.000 0.298 21 F C 2.552 178.392 175.800 0.066 0.000 1.104 21 F CA 0.509 58.507 58.000 -0.003 0.000 1.232 21 F CB -0.225 38.756 39.000 -0.032 0.000 0.987 21 F HN -0.043 nan 8.300 nan 0.000 0.475 22 V N 0.306 120.401 119.914 0.302 0.000 2.427 22 V HA -0.295 3.823 4.120 -0.003 0.000 0.248 22 V C 2.293 178.480 176.094 0.154 0.000 1.051 22 V CA 1.874 64.311 62.300 0.227 0.000 1.048 22 V CB -0.582 31.370 31.823 0.214 0.000 0.666 22 V HN 0.265 nan 8.190 nan 0.000 0.456 23 K N -0.206 120.267 120.400 0.122 0.000 2.002 23 K HA -0.213 4.105 4.320 -0.003 0.000 0.209 23 K C 2.186 178.849 176.600 0.105 0.000 1.048 23 K CA 1.765 58.105 56.287 0.089 0.000 0.930 23 K CB -0.269 32.267 32.500 0.060 0.000 0.714 23 K HN 0.316 nan 8.250 nan 0.000 0.438 24 L N 1.100 122.400 121.223 0.128 0.000 2.017 24 L HA -0.103 4.236 4.340 -0.003 0.000 0.208 24 L C 2.215 179.195 176.870 0.184 0.000 1.073 24 L CA 2.154 57.087 54.840 0.154 0.000 0.745 24 L CB -0.788 41.344 42.059 0.122 0.000 0.894 24 L HN 0.254 nan 8.230 nan 0.000 0.432 25 A N -0.973 121.929 122.820 0.137 0.000 1.978 25 A HA -0.221 4.098 4.320 -0.003 0.000 0.220 25 A C 2.437 180.091 177.584 0.116 0.000 1.170 25 A CA 1.927 54.033 52.037 0.115 0.000 0.636 25 A CB -1.098 17.961 19.000 0.099 0.000 0.810 25 A HN 0.678 nan 8.150 nan 0.000 0.448 26 S N -0.605 115.157 115.700 0.104 0.000 2.515 26 S HA -0.040 4.428 4.470 -0.003 0.000 0.231 26 S C 1.147 175.769 174.600 0.036 0.000 0.987 26 S CA 1.142 59.385 58.200 0.071 0.000 0.936 26 S CB -0.231 63.008 63.200 0.065 0.000 0.766 26 S HN 0.665 nan 8.310 nan 0.000 0.528 27 E N 0.211 120.435 120.200 0.040 0.000 2.481 27 E HA 0.210 4.559 4.350 -0.003 0.000 0.198 27 E C -0.213 176.163 176.600 -0.374 0.000 1.027 27 E CA -0.028 56.302 56.400 -0.116 0.000 0.900 27 E CB 0.294 29.928 29.700 -0.110 0.000 0.993 27 E HN 0.635 nan 8.360 nan 0.000 0.482 28 H N -0.530 118.532 119.070 -0.014 0.000 2.946 28 H HA 0.143 4.697 4.556 -0.003 0.000 0.365 28 H C -1.145 174.167 175.328 -0.026 0.000 1.197 28 H CA -0.958 55.071 56.048 -0.031 0.000 1.131 28 H CB 1.779 31.508 29.762 -0.054 0.000 1.849 28 H HN -0.061 nan 8.280 nan 0.000 0.555 29 D N 2.073 122.525 120.400 0.087 0.000 2.338 29 D HA 0.311 4.949 4.640 -0.003 0.000 0.255 29 D C -0.541 175.780 176.300 0.035 0.000 1.237 29 D CA -0.081 53.944 54.000 0.041 0.000 0.883 29 D CB 0.156 40.967 40.800 0.018 0.000 1.087 29 D HN 0.396 nan 8.370 nan 0.000 0.485 30 V N 0.983 120.918 119.914 0.035 0.000 3.147 30 V HA 0.597 4.716 4.120 -0.003 0.000 0.306 30 V C -0.642 175.472 176.094 0.034 0.000 1.209 30 V CA -1.059 61.255 62.300 0.024 0.000 1.023 30 V CB 1.807 33.644 31.823 0.023 0.000 1.059 30 V HN 0.122 nan 8.190 nan 0.000 0.435 31 V N 2.868 122.806 119.914 0.039 0.000 2.364 31 V HA 0.411 4.529 4.120 -0.003 0.000 0.272 31 V C 0.240 176.369 176.094 0.057 0.000 1.036 31 V CA -0.260 62.071 62.300 0.052 0.000 0.880 31 V CB 0.957 32.820 31.823 0.067 0.000 0.991 31 V HN 0.930 nan 8.190 nan 0.000 0.460 32 N N 5.200 123.924 118.700 0.041 0.000 2.521 32 N HA 0.283 5.021 4.740 -0.003 0.000 0.236 32 N C 0.260 175.783 175.510 0.021 0.000 1.067 32 N CA -0.124 52.943 53.050 0.027 0.000 0.939 32 N CB 0.914 39.408 38.487 0.012 0.000 1.201 32 N HN 0.668 nan 8.380 nan 0.000 0.511 33 L N 1.507 122.774 121.223 0.073 0.000 2.700 33 L HA 0.306 4.644 4.340 -0.003 0.000 0.234 33 L C 1.864 178.784 176.870 0.082 0.000 1.156 33 L CA -0.124 54.791 54.840 0.126 0.000 0.946 33 L CB 0.439 42.705 42.059 0.343 0.000 1.216 33 L HN 0.447 nan 8.230 nan 0.000 0.493 34 G N -0.911 107.906 108.800 0.028 0.000 2.595 34 G HA2 -0.035 3.923 3.960 -0.003 0.000 0.213 34 G HA3 -0.035 3.923 3.960 -0.003 0.000 0.213 34 G C 0.698 175.673 174.900 0.126 0.000 1.141 34 G CA -0.219 44.915 45.100 0.056 0.000 0.806 34 G HN 0.299 nan 8.290 nan 0.000 0.530 35 Q N 0.802 120.589 119.800 -0.020 0.000 2.262 35 Q HA 0.341 4.679 4.340 -0.003 0.000 0.272 35 Q C 0.660 176.528 176.000 -0.221 0.000 1.076 35 Q CA -0.189 55.471 55.803 -0.240 0.000 0.905 35 Q CB 1.183 29.474 28.738 -0.744 0.000 1.182 35 Q HN 0.179 nan 8.270 nan 0.000 0.390 36 G N 4.029 112.904 108.800 0.125 0.000 3.581 36 G HA2 0.357 4.315 3.960 -0.003 0.000 0.255 36 G HA3 0.357 4.315 3.960 -0.003 0.000 0.255 36 G C -0.532 174.660 174.900 0.486 0.000 1.121 36 G CA -0.090 45.295 45.100 0.475 0.000 1.739 36 G HN 0.530 nan 8.290 nan 0.000 0.646 37 F N -2.828 117.203 119.950 0.135 0.000 2.693 37 F HA 0.676 5.202 4.527 -0.003 0.000 0.309 37 F C -3.124 172.536 175.800 -0.234 0.000 1.129 37 F CA -3.472 54.535 58.000 0.010 0.000 0.948 37 F CB 0.644 39.680 39.000 0.060 0.000 1.315 37 F HN -0.193 nan 8.300 nan 0.000 0.447 38 P HA 0.146 nan 4.420 nan 0.000 0.269 38 P C -0.360 176.736 177.300 -0.339 0.000 1.209 38 P CA 0.078 62.818 63.100 -0.599 0.000 0.776 38 P CB 0.594 31.689 31.700 -1.008 0.000 0.876 39 D N 1.540 121.717 120.400 -0.372 0.000 2.463 39 D HA 0.108 4.746 4.640 -0.003 0.000 0.224 39 D C -0.203 176.109 176.300 0.020 0.000 1.174 39 D CA -0.268 53.684 54.000 -0.080 0.000 0.829 39 D CB -0.788 40.012 40.800 0.000 0.000 0.993 39 D HN 0.269 nan 8.370 nan 0.000 0.497 40 F N -1.468 118.535 119.950 0.089 0.000 2.631 40 F HA 0.835 5.360 4.527 -0.003 0.000 0.328 40 F C -2.741 173.097 175.800 0.063 0.000 1.067 40 F CA -3.084 54.963 58.000 0.078 0.000 0.969 40 F CB -0.390 38.665 39.000 0.092 0.000 1.332 40 F HN -0.393 nan 8.300 nan 0.000 0.490 41 P HA 0.319 nan 4.420 nan 0.000 0.272 41 P C -2.603 174.785 177.300 0.146 0.000 1.223 41 P CA -0.793 62.403 63.100 0.160 0.000 0.784 41 P CB -0.004 31.767 31.700 0.118 0.000 0.923 42 P HA 0.135 nan 4.420 nan 0.000 0.271 42 P C -2.286 174.882 177.300 -0.220 0.000 1.244 42 P CA -1.047 61.938 63.100 -0.191 0.000 0.793 42 P CB -1.123 30.384 31.700 -0.322 0.000 0.984 43 P HA -0.020 nan 4.420 nan 0.000 0.269 43 P C 0.097 177.148 177.300 -0.416 0.000 1.215 43 P CA 0.187 63.025 63.100 -0.437 0.000 0.780 43 P CB 0.591 31.779 31.700 -0.853 0.000 0.898 44 D N 1.478 121.779 120.400 -0.165 0.000 2.133 44 D HA -0.192 4.446 4.640 -0.003 0.000 0.195 44 D C 1.700 177.920 176.300 -0.133 0.000 0.997 44 D CA 1.572 55.516 54.000 -0.093 0.000 0.840 44 D CB -0.799 40.011 40.800 0.016 0.000 0.947 44 D HN 0.557 nan 8.370 nan 0.000 0.452 45 F N 0.572 120.448 119.950 -0.123 0.000 2.216 45 F HA 0.029 4.554 4.527 -0.004 0.000 0.300 45 F C 2.191 177.894 175.800 -0.163 0.000 1.085 45 F CA 0.954 58.873 58.000 -0.135 0.000 1.326 45 F CB -0.684 38.223 39.000 -0.154 0.000 1.027 45 F HN -0.058 nan 8.300 nan 0.000 0.497 46 A N 1.113 123.357 122.820 -0.960 0.000 1.874 46 A HA 0.014 4.332 4.320 -0.003 0.000 0.214 46 A C 2.293 179.856 177.584 -0.035 0.000 1.189 46 A CA 1.592 53.263 52.037 -0.610 0.000 0.615 46 A CB -1.270 17.154 19.000 -0.961 0.000 0.830 46 A HN 0.267 nan 8.150 nan 0.000 0.443 47 V N 0.419 120.288 119.914 -0.075 0.000 2.343 47 V HA -0.280 3.838 4.120 -0.003 0.000 0.247 47 V C 2.376 178.454 176.094 -0.028 0.000 1.051 47 V CA 2.332 64.683 62.300 0.085 0.000 1.036 47 V CB -0.943 30.891 31.823 0.018 0.000 0.654 47 V HN 0.634 nan 8.190 nan 0.000 0.451 48 E N 0.329 120.443 120.200 -0.144 0.000 2.110 48 E HA -0.192 4.156 4.350 -0.003 0.000 0.193 48 E C 2.332 178.568 176.600 -0.608 0.000 0.988 48 E CA 1.253 57.436 56.400 -0.361 0.000 0.804 48 E CB -0.363 29.182 29.700 -0.258 0.000 0.745 48 E HN 0.612 nan 8.360 nan 0.000 0.458 49 A N 0.984 123.660 122.820 -0.239 0.000 1.908 49 A HA -0.197 4.121 4.320 -0.003 0.000 0.218 49 A C 1.985 179.535 177.584 -0.057 0.000 1.181 49 A CA 1.097 53.078 52.037 -0.093 0.000 0.627 49 A CB -0.798 18.193 19.000 -0.016 0.000 0.818 49 A HN 0.358 nan 8.150 nan 0.000 0.445 50 F N 0.091 119.883 119.950 -0.262 0.000 2.163 50 F HA -0.211 4.315 4.527 -0.002 0.000 0.297 50 F C 2.727 178.383 175.800 -0.240 0.000 1.094 50 F CA 1.260 59.048 58.000 -0.354 0.000 1.290 50 F CB -0.059 38.635 39.000 -0.510 0.000 1.017 50 F HN 0.312 nan 8.300 nan 0.000 0.483 51 Q N -0.535 119.223 119.800 -0.069 0.000 2.096 51 Q HA -0.274 4.064 4.340 -0.003 0.000 0.204 51 Q C 1.713 177.707 176.000 -0.010 0.000 0.982 51 Q CA 2.171 57.901 55.803 -0.121 0.000 0.850 51 Q CB -0.442 28.201 28.738 -0.158 0.000 0.901 51 Q HN 0.647 nan 8.270 nan 0.000 0.422 52 H N -0.419 118.661 119.070 0.017 0.000 2.353 52 H HA -0.059 4.495 4.556 -0.004 0.000 0.300 52 H C 2.111 177.446 175.328 0.011 0.000 1.090 52 H CA 0.564 56.620 56.048 0.012 0.000 1.327 52 H CB 0.046 29.817 29.762 0.016 0.000 1.383 52 H HN 0.320 nan 8.280 nan 0.000 0.508 53 A N 0.946 123.848 122.820 0.138 0.000 1.930 53 A HA -0.123 4.195 4.320 -0.003 0.000 0.217 53 A C 2.416 180.029 177.584 0.048 0.000 1.175 53 A CA 1.620 53.699 52.037 0.070 0.000 0.627 53 A CB -0.693 18.323 19.000 0.027 0.000 0.815 53 A HN 0.352 nan 8.150 nan 0.000 0.443 54 V N -1.969 117.967 119.914 0.036 0.000 3.541 54 V HA 0.081 4.199 4.120 -0.003 0.000 0.267 54 V C 1.459 177.548 176.094 -0.009 0.000 1.213 54 V CA 1.606 63.893 62.300 -0.022 0.000 1.149 54 V CB -0.405 31.341 31.823 -0.129 0.000 0.822 54 V HN 0.659 nan 8.190 nan 0.000 0.462 55 S N -1.098 114.616 115.700 0.023 0.000 2.629 55 S HA 0.532 5.000 4.470 -0.003 0.000 0.236 55 S C 1.006 175.636 174.600 0.050 0.000 1.010 55 S CA 0.231 58.451 58.200 0.033 0.000 0.981 55 S CB 0.430 63.653 63.200 0.037 0.000 0.919 55 S HN 0.755 nan 8.310 nan 0.000 0.514 56 G N 1.367 110.197 108.800 0.051 0.000 2.882 56 G HA2 0.341 4.299 3.960 -0.003 0.000 0.164 56 G HA3 0.341 4.299 3.960 -0.003 0.000 0.164 56 G C -0.725 174.201 174.900 0.044 0.000 1.429 56 G CA -0.425 44.701 45.100 0.042 0.000 1.059 56 G HN 0.333 nan 8.290 nan 0.000 0.581 57 D N 0.223 120.627 120.400 0.007 0.000 2.662 57 D HA -0.069 4.569 4.640 -0.003 0.000 0.237 57 D C 1.491 177.748 176.300 -0.071 0.000 1.154 57 D CA -0.228 53.735 54.000 -0.062 0.000 0.861 57 D CB 0.084 40.826 40.800 -0.098 0.000 1.146 57 D HN 0.211 nan 8.370 nan 0.000 0.518 58 F N 3.004 122.952 119.950 -0.002 0.000 2.333 58 F HA -0.113 4.412 4.527 -0.002 0.000 0.300 58 F C 1.714 177.505 175.800 -0.015 0.000 1.083 58 F CA 0.430 58.422 58.000 -0.013 0.000 1.395 58 F CB -0.581 38.409 39.000 -0.017 0.000 1.056 58 F HN 0.226 nan 8.300 nan 0.000 0.529 59 M N 0.879 120.169 119.600 -0.518 0.000 2.557 59 M HA 0.026 4.504 4.480 -0.003 0.000 0.259 59 M C 1.894 178.130 176.300 -0.106 0.000 1.086 59 M CA 0.780 55.907 55.300 -0.289 0.000 1.096 59 M CB -1.140 31.228 32.600 -0.386 0.000 1.424 59 M HN 0.396 nan 8.290 nan 0.000 0.488 60 L N -0.119 121.053 121.223 -0.085 0.000 2.456 60 L HA -0.165 4.173 4.340 -0.003 0.000 0.224 60 L C 1.701 178.542 176.870 -0.048 0.000 1.148 60 L CA 0.439 55.242 54.840 -0.063 0.000 0.825 60 L CB -0.678 41.336 42.059 -0.074 0.000 0.937 60 L HN 0.364 nan 8.230 nan 0.000 0.450 61 N N -0.681 118.008 118.700 -0.018 0.000 2.494 61 N HA -0.026 4.712 4.740 -0.003 0.000 0.182 61 N C 0.553 176.026 175.510 -0.062 0.000 1.076 61 N CA 0.538 53.575 53.050 -0.022 0.000 0.908 61 N CB 0.293 38.788 38.487 0.012 0.000 0.967 61 N HN 0.386 nan 8.380 nan 0.000 0.449 62 Q N -0.270 119.493 119.800 -0.061 0.000 2.240 62 Q HA 0.268 4.606 4.340 -0.003 0.000 0.260 62 Q C -0.141 175.826 176.000 -0.055 0.000 1.018 62 Q CA -0.762 54.967 55.803 -0.123 0.000 0.898 62 Q CB 0.308 28.995 28.738 -0.084 0.000 1.301 62 Q HN 0.177 nan 8.270 nan 0.000 0.469 63 Y N 0.156 120.397 120.300 -0.098 0.000 2.903 63 Y HA -0.079 4.470 4.550 -0.001 0.000 0.338 63 Y C 1.399 177.308 175.900 0.016 0.000 1.265 63 Y CA 0.554 58.575 58.100 -0.131 0.000 1.532 63 Y CB 0.418 38.749 38.460 -0.215 0.000 1.293 63 Y HN 0.437 nan 8.280 nan 0.000 0.609 64 T N 2.618 117.335 114.554 0.272 0.000 2.876 64 T HA 0.275 4.623 4.350 -0.003 0.000 0.277 64 T C -0.346 174.517 174.700 0.271 0.000 0.997 64 T CA -1.102 61.155 62.100 0.262 0.000 0.966 64 T CB 0.597 69.643 68.868 0.297 0.000 1.312 64 T HN 0.323 nan 8.240 nan 0.000 0.598 65 K N 1.831 122.351 120.400 0.200 0.000 2.382 65 K HA 0.092 4.410 4.320 -0.003 0.000 0.275 65 K C 1.354 177.973 176.600 0.032 0.000 1.009 65 K CA 0.110 56.454 56.287 0.095 0.000 0.970 65 K CB 0.885 33.416 32.500 0.051 0.000 0.934 65 K HN 0.770 nan 8.250 nan 0.000 0.479 66 T N 1.440 115.873 114.554 -0.201 0.000 2.699 66 T HA -0.149 4.199 4.350 -0.003 0.000 0.268 66 T C 1.052 175.532 174.700 -0.367 0.000 1.036 66 T CA 1.618 63.435 62.100 -0.471 0.000 1.147 66 T CB -0.081 68.084 68.868 -1.172 0.000 0.862 66 T HN 0.434 nan 8.240 nan 0.000 0.446 67 F N 1.047 120.955 119.950 -0.070 0.000 2.765 67 F HA 0.548 5.073 4.527 -0.003 0.000 0.302 67 F C 1.348 177.099 175.800 -0.081 0.000 1.111 67 F CA -0.185 57.714 58.000 -0.168 0.000 1.359 67 F CB -0.029 38.879 39.000 -0.153 0.000 1.097 67 F HN 0.384 nan 8.300 nan 0.000 0.577 68 G N -0.948 107.926 108.800 0.123 0.000 2.318 68 G HA2 0.084 4.042 3.960 -0.003 0.000 0.302 68 G HA3 0.084 4.042 3.960 -0.003 0.000 0.302 68 G C -1.757 173.259 174.900 0.193 0.000 1.633 68 G CA -1.340 43.859 45.100 0.164 0.000 0.965 68 G HN -0.125 nan 8.290 nan 0.000 0.698 69 Y N 3.537 123.890 120.300 0.088 0.000 2.804 69 Y HA 0.296 4.845 4.550 -0.002 0.000 0.338 69 Y C -1.085 174.848 175.900 0.056 0.000 1.252 69 Y CA -0.686 57.456 58.100 0.070 0.000 1.576 69 Y CB 0.972 39.472 38.460 0.067 0.000 1.223 69 Y HN 0.348 nan 8.280 nan 0.000 0.536 70 P HA -0.145 nan 4.420 nan 0.000 0.216 70 P C -1.351 175.771 177.300 -0.297 0.000 1.153 70 P CA 1.918 64.875 63.100 -0.238 0.000 0.858 70 P CB -0.502 31.078 31.700 -0.200 0.000 0.789 71 P HA -0.149 nan 4.420 nan 0.000 0.218 71 P C 1.563 178.814 177.300 -0.081 0.000 1.148 71 P CA 0.892 63.815 63.100 -0.296 0.000 0.822 71 P CB -0.369 31.127 31.700 -0.340 0.000 0.784 72 L N -0.237 120.996 121.223 0.016 0.000 2.044 72 L HA -0.084 4.254 4.340 -0.003 0.000 0.205 72 L C 2.184 179.077 176.870 0.039 0.000 1.075 72 L CA 2.511 57.429 54.840 0.131 0.000 0.747 72 L CB -1.862 40.361 42.059 0.273 0.000 0.903 72 L HN 0.034 nan 8.230 nan 0.000 0.435 73 T N -2.938 111.630 114.554 0.024 0.000 2.833 73 T HA -0.236 4.112 4.350 -0.003 0.000 0.269 73 T C 1.969 176.655 174.700 -0.022 0.000 1.054 73 T CA 1.522 63.623 62.100 0.003 0.000 1.135 73 T CB -0.475 68.408 68.868 0.025 0.000 0.869 73 T HN 0.396 nan 8.240 nan 0.000 0.466 74 K N 0.442 120.821 120.400 -0.035 0.000 2.002 74 K HA -0.061 4.257 4.320 -0.003 0.000 0.209 74 K C 2.275 178.856 176.600 -0.032 0.000 1.048 74 K CA 1.495 57.760 56.287 -0.037 0.000 0.930 74 K CB -0.356 32.112 32.500 -0.053 0.000 0.714 74 K HN 0.336 nan 8.250 nan 0.000 0.438 75 I N 1.416 121.967 120.570 -0.032 0.000 2.353 75 I HA -0.186 3.982 4.170 -0.003 0.000 0.248 75 I C 1.833 177.905 176.117 -0.076 0.000 1.119 75 I CA 1.053 62.331 61.300 -0.037 0.000 1.417 75 I CB -0.032 37.964 38.000 -0.006 0.000 1.078 75 I HN 0.210 nan 8.210 nan 0.000 0.421 76 L N 0.168 121.317 121.223 -0.123 0.000 2.012 76 L HA -0.220 4.118 4.340 -0.003 0.000 0.210 76 L C 2.674 179.556 176.870 0.020 0.000 1.073 76 L CA 1.527 56.282 54.840 -0.142 0.000 0.748 76 L CB -1.024 40.852 42.059 -0.305 0.000 0.891 76 L HN 0.306 nan 8.230 nan 0.000 0.431 77 A N -1.056 121.760 122.820 -0.007 0.000 1.902 77 A HA -0.229 4.089 4.320 -0.003 0.000 0.217 77 A C 2.539 180.122 177.584 -0.002 0.000 1.181 77 A CA 2.067 54.110 52.037 0.011 0.000 0.623 77 A CB -0.684 18.315 19.000 -0.002 0.000 0.818 77 A HN 0.384 nan 8.150 nan 0.000 0.443 78 S N -1.619 114.076 115.700 -0.007 0.000 2.345 78 S HA -0.128 4.340 4.470 -0.003 0.000 0.220 78 S C 1.801 176.403 174.600 0.002 0.000 1.031 78 S CA 1.616 59.811 58.200 -0.008 0.000 0.996 78 S CB -0.490 62.708 63.200 -0.003 0.000 0.882 78 S HN 0.526 nan 8.310 nan 0.000 0.445 79 F N 1.234 121.054 119.950 -0.217 0.000 2.084 79 F HA 0.141 4.666 4.527 -0.004 0.000 0.296 79 F C 1.646 177.196 175.800 -0.417 0.000 1.111 79 F CA 1.107 58.885 58.000 -0.370 0.000 1.224 79 F CB -0.856 37.832 39.000 -0.519 0.000 0.991 79 F HN 0.269 nan 8.300 nan 0.000 0.471 80 F N 0.361 120.168 119.950 -0.239 0.000 2.407 80 F HA 0.090 4.614 4.527 -0.004 0.000 0.299 80 F C 2.608 178.284 175.800 -0.208 0.000 1.097 80 F CA 0.988 58.821 58.000 -0.279 0.000 1.422 80 F CB -1.308 37.590 39.000 -0.169 0.000 1.067 80 F HN 0.047 nan 8.300 nan 0.000 0.539 81 G N -0.281 108.492 108.800 -0.045 0.000 2.446 81 G HA2 -0.293 3.665 3.960 -0.003 0.000 0.217 81 G HA3 -0.293 3.665 3.960 -0.003 0.000 0.217 81 G C 1.644 176.463 174.900 -0.135 0.000 1.168 81 G CA 0.932 45.965 45.100 -0.112 0.000 0.771 81 G HN 0.392 nan 8.290 nan 0.000 0.551 82 E N 0.314 120.422 120.200 -0.153 0.000 2.051 82 E HA -0.107 4.241 4.350 -0.003 0.000 0.192 82 E C 2.551 179.053 176.600 -0.164 0.000 0.991 82 E CA 0.829 57.140 56.400 -0.148 0.000 0.799 82 E CB -0.247 29.359 29.700 -0.158 0.000 0.748 82 E HN 0.473 nan 8.360 nan 0.000 0.449 83 L N 0.411 121.473 121.223 -0.269 0.000 2.093 83 L HA -0.131 4.207 4.340 -0.003 0.000 0.208 83 L C 2.548 179.383 176.870 -0.058 0.000 1.085 83 L CA 0.733 55.459 54.840 -0.190 0.000 0.755 83 L CB -0.186 41.689 42.059 -0.306 0.000 0.904 83 L HN 0.189 nan 8.230 nan 0.000 0.435 84 L N -0.556 120.641 121.223 -0.044 0.000 2.509 84 L HA 0.166 4.504 4.340 -0.003 0.000 0.222 84 L C 1.201 178.034 176.870 -0.062 0.000 1.123 84 L CA 0.349 55.180 54.840 -0.015 0.000 0.856 84 L CB -0.377 41.695 42.059 0.021 0.000 0.985 84 L HN 0.447 nan 8.230 nan 0.000 0.456 85 G N 1.155 109.903 108.800 -0.086 0.000 2.314 85 G HA2 -0.299 3.659 3.960 -0.003 0.000 0.292 85 G HA3 -0.299 3.659 3.960 -0.003 0.000 0.292 85 G C -0.166 174.636 174.900 -0.163 0.000 1.059 85 G CA 0.363 45.405 45.100 -0.096 0.000 0.982 85 G HN 0.391 nan 8.290 nan 0.000 0.505 86 Q N -0.360 119.297 119.800 -0.239 0.000 2.305 86 Q HA 0.550 4.888 4.340 -0.003 0.000 0.271 86 Q C -0.578 175.197 176.000 -0.374 0.000 1.046 86 Q CA -0.777 54.772 55.803 -0.423 0.000 0.798 86 Q CB 1.169 29.467 28.738 -0.733 0.000 1.286 86 Q HN 0.159 nan 8.270 nan 0.000 0.435 87 E N 3.719 123.709 120.200 -0.350 0.000 2.265 87 E HA 0.226 4.575 4.350 -0.003 0.000 0.272 87 E C -0.456 175.968 176.600 -0.293 0.000 1.067 87 E CA 0.226 56.477 56.400 -0.249 0.000 0.900 87 E CB 0.302 29.901 29.700 -0.169 0.000 1.017 87 E HN 0.553 nan 8.360 nan 0.000 0.431 88 I N 2.599 123.055 120.570 -0.190 0.000 2.362 88 I HA 0.101 4.269 4.170 -0.003 0.000 0.289 88 I C 0.283 176.388 176.117 -0.020 0.000 0.994 88 I CA -0.872 60.371 61.300 -0.096 0.000 1.158 88 I CB 1.504 39.477 38.000 -0.046 0.000 1.315 88 I HN 0.186 nan 8.210 nan 0.000 0.451 89 D N 9.539 129.955 120.400 0.026 0.000 2.316 89 D HA 0.173 4.811 4.640 -0.003 0.000 0.245 89 D C -1.583 174.735 176.300 0.030 0.000 1.171 89 D CA -2.180 51.834 54.000 0.022 0.000 0.856 89 D CB 1.765 42.585 40.800 0.032 0.000 1.090 89 D HN 0.229 nan 8.370 nan 0.000 0.476 90 P HA -0.139 nan 4.420 nan 0.000 0.220 90 P C 1.485 178.798 177.300 0.022 0.000 1.148 90 P CA 0.354 63.464 63.100 0.015 0.000 0.803 90 P CB 0.503 32.204 31.700 0.001 0.000 0.782 91 L N -0.691 120.544 121.223 0.020 0.000 2.209 91 L HA 0.104 4.442 4.340 -0.003 0.000 0.207 91 L C 2.327 179.192 176.870 -0.008 0.000 1.094 91 L CA 1.582 56.439 54.840 0.029 0.000 0.790 91 L CB -0.423 41.655 42.059 0.031 0.000 0.932 91 L HN -0.269 nan 8.230 nan 0.000 0.447 92 R N -1.278 119.214 120.500 -0.014 0.000 2.282 92 R HA 0.221 4.559 4.340 -0.003 0.000 0.195 92 R C 0.636 176.909 176.300 -0.044 0.000 0.909 92 R CA 0.348 56.421 56.100 -0.045 0.000 1.039 92 R CB 0.226 30.518 30.300 -0.014 0.000 1.015 92 R HN 0.297 nan 8.270 nan 0.000 0.513 93 N N -0.290 118.418 118.700 0.013 0.000 2.159 93 N HA 0.124 4.862 4.740 -0.003 0.000 0.217 93 N C -0.946 174.593 175.510 0.048 0.000 1.223 93 N CA 0.261 53.352 53.050 0.069 0.000 0.896 93 N CB 2.028 40.669 38.487 0.258 0.000 1.064 93 N HN -0.147 nan 8.380 nan 0.000 0.518 94 V N 1.724 121.643 119.914 0.007 0.000 2.638 94 V HA 0.490 4.608 4.120 -0.003 0.000 0.306 94 V C -1.038 175.051 176.094 -0.007 0.000 1.052 94 V CA -0.919 61.394 62.300 0.021 0.000 0.885 94 V CB 2.662 34.503 31.823 0.031 0.000 0.999 94 V HN -0.056 nan 8.190 nan 0.000 0.424 95 L N 5.616 126.844 121.223 0.008 0.000 2.409 95 L HA 0.742 5.080 4.340 -0.003 0.000 0.272 95 L C -0.630 176.286 176.870 0.076 0.000 0.980 95 L CA -0.166 54.662 54.840 -0.021 0.000 0.826 95 L CB 2.082 44.069 42.059 -0.120 0.000 1.268 95 L HN 0.448 nan 8.230 nan 0.000 0.407 96 V N 3.796 123.762 119.914 0.088 0.000 2.546 96 V HA 0.690 4.808 4.120 -0.003 0.000 0.284 96 V C 0.552 176.736 176.094 0.149 0.000 1.050 96 V CA 0.182 62.596 62.300 0.191 0.000 0.981 96 V CB 1.229 33.186 31.823 0.224 0.000 0.990 96 V HN 0.964 nan 8.190 nan 0.000 0.474 97 T N 0.790 115.472 114.554 0.212 0.000 2.864 97 T HA 0.565 4.913 4.350 -0.003 0.000 0.289 97 T C -0.514 174.319 174.700 0.221 0.000 1.082 97 T CA -0.768 61.468 62.100 0.226 0.000 1.009 97 T CB 1.668 70.638 68.868 0.171 0.000 1.234 97 T HN 0.176 nan 8.240 nan 0.000 0.526 98 V N 2.261 122.304 119.914 0.215 0.000 2.229 98 V HA 0.553 4.671 4.120 -0.003 0.000 0.245 98 V C 1.392 177.583 176.094 0.162 0.000 1.243 98 V CA 0.734 63.140 62.300 0.177 0.000 1.176 98 V CB -1.117 30.796 31.823 0.150 0.000 1.323 98 V HN 1.490 nan 8.190 nan 0.000 0.499 99 G N 3.946 112.831 108.800 0.143 0.000 2.855 99 G HA2 -0.048 3.910 3.960 -0.003 0.000 0.352 99 G HA3 -0.048 3.910 3.960 -0.003 0.000 0.352 99 G C 0.855 175.767 174.900 0.019 0.000 1.415 99 G CA -0.207 44.950 45.100 0.095 0.000 0.871 99 G HN 0.983 nan 8.290 nan 0.000 0.543 100 G N -1.159 107.589 108.800 -0.086 0.000 2.450 100 G HA2 -0.102 3.856 3.960 -0.003 0.000 0.220 100 G HA3 -0.102 3.856 3.960 -0.003 0.000 0.220 100 G C 1.472 176.365 174.900 -0.011 0.000 1.130 100 G CA 2.031 47.029 45.100 -0.170 0.000 0.760 100 G HN 0.684 nan 8.290 nan 0.000 0.557 101 Y N 0.999 121.336 120.300 0.062 0.000 2.097 101 Y HA -0.081 4.467 4.550 -0.004 0.000 0.282 101 Y C 3.099 179.113 175.900 0.190 0.000 1.152 101 Y CA 1.345 59.547 58.100 0.170 0.000 1.136 101 Y CB -0.438 38.106 38.460 0.141 0.000 0.975 101 Y HN 0.219 nan 8.280 nan 0.000 0.498 102 G N -0.794 108.199 108.800 0.321 0.000 2.442 102 G HA2 -0.266 3.692 3.960 -0.003 0.000 0.219 102 G HA3 -0.266 3.692 3.960 -0.003 0.000 0.219 102 G C 1.838 176.904 174.900 0.277 0.000 1.141 102 G CA 0.955 46.232 45.100 0.296 0.000 0.763 102 G HN 0.500 nan 8.290 nan 0.000 0.554 103 A N 0.642 123.553 122.820 0.151 0.000 1.877 103 A HA 0.076 4.394 4.320 -0.003 0.000 0.216 103 A C 2.446 180.052 177.584 0.037 0.000 1.186 103 A CA 1.349 53.415 52.037 0.049 0.000 0.620 103 A CB -0.472 18.478 19.000 -0.084 0.000 0.822 103 A HN 0.346 nan 8.150 nan 0.000 0.443 104 L N -2.027 119.249 121.223 0.088 0.000 2.012 104 L HA -0.194 4.145 4.340 -0.003 0.000 0.210 104 L C 2.487 179.511 176.870 0.258 0.000 1.073 104 L CA 1.880 56.784 54.840 0.105 0.000 0.748 104 L CB -0.608 41.647 42.059 0.326 0.000 0.891 104 L HN 0.510 nan 8.230 nan 0.000 0.431 105 F N 0.768 120.878 119.950 0.267 0.000 2.095 105 F HA -0.274 4.252 4.527 -0.002 0.000 0.298 105 F C 2.490 178.401 175.800 0.186 0.000 1.104 105 F CA 2.204 60.377 58.000 0.288 0.000 1.232 105 F CB -0.632 38.505 39.000 0.228 0.000 0.987 105 F HN -0.025 nan 8.300 nan 0.000 0.475 106 T N 0.727 115.331 114.554 0.084 0.000 2.720 106 T HA -0.203 4.145 4.350 -0.003 0.000 0.268 106 T C 2.222 176.829 174.700 -0.154 0.000 1.037 106 T CA 1.528 63.595 62.100 -0.054 0.000 1.144 106 T CB -0.932 67.987 68.868 0.085 0.000 0.864 106 T HN 0.394 nan 8.240 nan 0.000 0.444 107 A N 1.019 123.729 122.820 -0.184 0.000 1.877 107 A HA 0.001 4.319 4.320 -0.003 0.000 0.216 107 A C 1.985 179.379 177.584 -0.317 0.000 1.186 107 A CA 1.357 53.212 52.037 -0.305 0.000 0.620 107 A CB -1.007 17.721 19.000 -0.452 0.000 0.822 107 A HN 0.433 nan 8.150 nan 0.000 0.443 108 F N 0.116 119.964 119.950 -0.171 0.000 2.134 108 F HA -0.169 4.357 4.527 -0.001 0.000 0.299 108 F C 2.754 178.416 175.800 -0.229 0.000 1.097 108 F CA 1.613 59.508 58.000 -0.175 0.000 1.264 108 F CB -0.423 38.505 39.000 -0.120 0.000 1.001 108 F HN 0.201 nan 8.300 nan 0.000 0.479 109 Q N -0.232 119.456 119.800 -0.187 0.000 2.224 109 Q HA -0.035 4.303 4.340 -0.003 0.000 0.203 109 Q C 2.437 178.344 176.000 -0.155 0.000 0.970 109 Q CA 1.177 56.828 55.803 -0.254 0.000 0.865 109 Q CB -0.610 27.812 28.738 -0.526 0.000 0.922 109 Q HN 0.436 nan 8.270 nan 0.000 0.445 110 A N 0.025 122.759 122.820 -0.144 0.000 1.930 110 A HA -0.012 4.306 4.320 -0.003 0.000 0.215 110 A C 1.934 179.445 177.584 -0.122 0.000 1.176 110 A CA 0.841 52.817 52.037 -0.102 0.000 0.632 110 A CB -0.084 18.869 19.000 -0.078 0.000 0.819 110 A HN 0.296 nan 8.150 nan 0.000 0.445 111 L N -1.230 119.919 121.223 -0.123 0.000 2.685 111 L HA 0.191 4.529 4.340 -0.003 0.000 0.235 111 L C -0.189 176.627 176.870 -0.091 0.000 1.070 111 L CA -0.046 54.717 54.840 -0.129 0.000 0.888 111 L CB 0.450 42.420 42.059 -0.148 0.000 1.203 111 L HN 0.004 nan 8.230 nan 0.000 0.499 112 V N 1.129 121.015 119.914 -0.045 0.000 2.432 112 V HA 0.274 4.392 4.120 -0.003 0.000 0.275 112 V C -0.571 175.501 176.094 -0.037 0.000 1.043 112 V CA -0.184 62.106 62.300 -0.017 0.000 0.925 112 V CB 1.563 33.425 31.823 0.065 0.000 0.985 112 V HN 0.071 nan 8.190 nan 0.000 0.466 113 D N 1.875 122.248 120.400 -0.045 0.000 2.493 113 D HA 0.291 4.929 4.640 -0.003 0.000 0.239 113 D C -0.370 175.907 176.300 -0.039 0.000 1.049 113 D CA -0.675 53.298 54.000 -0.044 0.000 1.008 113 D CB 1.847 42.616 40.800 -0.052 0.000 1.398 113 D HN 0.446 nan 8.370 nan 0.000 0.513 114 E N 0.102 120.282 120.200 -0.033 0.000 2.585 114 E HA 0.299 4.647 4.350 -0.003 0.000 0.252 114 E C 0.927 177.508 176.600 -0.032 0.000 0.981 114 E CA 0.967 57.349 56.400 -0.029 0.000 0.943 114 E CB 0.363 30.049 29.700 -0.022 0.000 0.923 114 E HN 0.745 nan 8.360 nan 0.000 0.486 115 G N 3.824 112.603 108.800 -0.035 0.000 2.225 115 G HA2 -0.246 3.713 3.960 -0.003 0.000 0.254 115 G HA3 -0.246 3.713 3.960 -0.003 0.000 0.254 115 G C 0.071 174.942 174.900 -0.048 0.000 0.988 115 G CA 0.133 45.211 45.100 -0.037 0.000 0.625 115 G HN 0.527 nan 8.290 nan 0.000 0.527 116 D N 1.617 121.985 120.400 -0.053 0.000 2.443 116 D HA 0.425 5.064 4.640 -0.003 0.000 0.239 116 D C 0.735 176.982 176.300 -0.087 0.000 1.136 116 D CA 0.441 54.403 54.000 -0.064 0.000 0.879 116 D CB 0.634 41.397 40.800 -0.061 0.000 1.195 116 D HN 0.563 nan 8.370 nan 0.000 0.443 117 E N 0.178 120.314 120.200 -0.108 0.000 2.231 117 E HA 0.462 4.810 4.350 -0.003 0.000 0.277 117 E C -0.795 175.696 176.600 -0.182 0.000 0.999 117 E CA -0.795 55.513 56.400 -0.154 0.000 0.827 117 E CB 1.795 31.395 29.700 -0.167 0.000 1.101 117 E HN 0.052 nan 8.360 nan 0.000 0.393 118 V N 4.367 124.147 119.914 -0.223 0.000 2.483 118 V HA 0.302 4.420 4.120 -0.003 0.000 0.297 118 V C -0.239 175.661 176.094 -0.323 0.000 1.027 118 V CA -0.647 61.520 62.300 -0.222 0.000 0.855 118 V CB 1.314 33.058 31.823 -0.131 0.000 0.995 118 V HN 0.597 nan 8.190 nan 0.000 0.424 119 I N 5.965 126.331 120.570 -0.341 0.000 2.416 119 I HA 0.389 4.557 4.170 -0.003 0.000 0.288 119 I C -0.355 175.596 176.117 -0.276 0.000 1.051 119 I CA 0.167 61.251 61.300 -0.359 0.000 1.375 119 I CB 0.794 38.533 38.000 -0.435 0.000 1.407 119 I HN 0.433 nan 8.210 nan 0.000 0.516 120 I N 7.167 127.565 120.570 -0.288 0.000 2.509 120 I HA 0.407 4.575 4.170 -0.003 0.000 0.293 120 I C -0.374 175.776 176.117 0.054 0.000 1.020 120 I CA -0.615 60.587 61.300 -0.164 0.000 1.088 120 I CB 2.213 39.987 38.000 -0.376 0.000 1.267 120 I HN 0.377 nan 8.210 nan 0.000 0.430 121 I N 5.449 126.126 120.570 0.179 0.000 2.304 121 I HA 0.237 4.405 4.170 -0.003 0.000 0.291 121 I C 0.051 176.388 176.117 0.367 0.000 1.018 121 I CA -0.428 61.032 61.300 0.266 0.000 1.260 121 I CB 0.753 38.907 38.000 0.257 0.000 1.390 121 I HN 0.524 nan 8.210 nan 0.000 0.475 122 E N 8.191 128.584 120.200 0.322 0.000 2.283 122 E HA 0.254 4.602 4.350 -0.003 0.000 0.278 122 E C -2.278 174.295 176.600 -0.046 0.000 1.027 122 E CA -1.773 54.676 56.400 0.083 0.000 0.843 122 E CB 0.743 30.408 29.700 -0.060 0.000 1.062 122 E HN 0.314 nan 8.360 nan 0.000 0.401 123 P HA 0.059 nan 4.420 nan 0.000 0.280 123 P C -1.088 176.128 177.300 -0.140 0.000 1.244 123 P CA -0.116 62.649 63.100 -0.559 0.000 0.784 123 P CB 0.195 31.636 31.700 -0.432 0.000 0.913 124 F N 1.324 121.228 119.950 -0.077 0.000 2.508 124 F HA 0.565 5.091 4.527 -0.003 0.000 0.325 124 F C -0.263 175.595 175.800 0.098 0.000 1.090 124 F CA -2.077 55.975 58.000 0.088 0.000 0.945 124 F CB 0.536 39.683 39.000 0.245 0.000 1.156 124 F HN 0.098 nan 8.300 nan 0.000 0.463 125 F N 4.752 124.628 119.950 -0.123 0.000 2.612 125 F HA 0.012 4.537 4.527 -0.003 0.000 0.389 125 F C 1.746 177.470 175.800 -0.127 0.000 1.055 125 F CA -0.265 57.605 58.000 -0.217 0.000 1.232 125 F CB 0.371 39.050 39.000 -0.534 0.000 1.044 125 F HN 0.757 nan 8.300 nan 0.000 0.560 126 D N 3.976 124.216 120.400 -0.266 0.000 2.264 126 D HA -0.221 4.418 4.640 -0.003 0.000 0.208 126 D C 2.066 178.392 176.300 0.043 0.000 0.966 126 D CA 1.339 55.302 54.000 -0.062 0.000 0.864 126 D CB -1.066 39.637 40.800 -0.161 0.000 0.933 126 D HN 0.636 nan 8.370 nan 0.000 0.499 127 C N -0.512 118.679 119.300 -0.182 0.000 2.456 127 C HA 0.017 4.475 4.460 -0.003 0.000 0.279 127 C C 2.429 177.528 174.990 0.183 0.000 1.427 127 C CA -0.428 58.624 59.018 0.057 0.000 1.778 127 C CB -1.719 26.124 27.740 0.173 0.000 1.842 127 C HN 0.096 nan 8.230 nan 0.000 0.531 128 Y N 2.098 122.518 120.300 0.199 0.000 2.207 128 Y HA -0.091 4.458 4.550 -0.002 0.000 0.287 128 Y C 2.643 178.402 175.900 -0.235 0.000 1.156 128 Y CA 1.596 59.706 58.100 0.017 0.000 1.182 128 Y CB -1.170 37.359 38.460 0.116 0.000 0.979 128 Y HN 0.545 nan 8.280 nan 0.000 0.521 129 E N 0.352 120.587 120.200 0.058 0.000 2.015 129 E HA -0.157 4.191 4.350 -0.003 0.000 0.191 129 E C -0.606 175.973 176.600 -0.036 0.000 0.991 129 E CA 1.410 57.803 56.400 -0.012 0.000 0.802 129 E CB -0.788 29.022 29.700 0.184 0.000 0.759 129 E HN 0.223 nan 8.360 nan 0.000 0.447 130 P HA -0.150 nan 4.420 nan 0.000 0.218 130 P C 1.509 178.777 177.300 -0.053 0.000 1.149 130 P CA 1.405 64.510 63.100 0.009 0.000 0.817 130 P CB -0.146 31.586 31.700 0.053 0.000 0.785 131 M N -0.927 118.596 119.600 -0.130 0.000 2.117 131 M HA -0.097 4.381 4.480 -0.003 0.000 0.262 131 M C 2.118 178.139 176.300 -0.465 0.000 1.065 131 M CA 1.945 57.101 55.300 -0.241 0.000 1.114 131 M CB -1.311 31.088 32.600 -0.335 0.000 1.361 131 M HN -0.058 nan 8.290 nan 0.000 0.408 132 T N 0.825 114.998 114.554 -0.635 0.000 2.684 132 T HA -0.145 4.203 4.350 -0.003 0.000 0.267 132 T C 1.747 176.329 174.700 -0.196 0.000 1.036 132 T CA 1.441 63.282 62.100 -0.433 0.000 1.148 132 T CB -0.187 68.465 68.868 -0.360 0.000 0.863 132 T HN 0.361 nan 8.240 nan 0.000 0.436 133 M N 0.225 119.741 119.600 -0.139 0.000 2.117 133 M HA 0.010 4.488 4.480 -0.003 0.000 0.262 133 M C 2.453 178.732 176.300 -0.036 0.000 1.065 133 M CA 1.496 56.757 55.300 -0.064 0.000 1.114 133 M CB -0.409 32.176 32.600 -0.026 0.000 1.361 133 M HN 0.193 nan 8.290 nan 0.000 0.408 134 M N -0.171 119.416 119.600 -0.022 0.000 2.374 134 M HA -0.064 4.414 4.480 -0.003 0.000 0.264 134 M C 1.607 177.915 176.300 0.014 0.000 1.067 134 M CA 1.228 56.542 55.300 0.023 0.000 1.103 134 M CB 0.018 32.667 32.600 0.083 0.000 1.402 134 M HN 0.258 nan 8.290 nan 0.000 0.444 135 A N -0.642 122.166 122.820 -0.020 0.000 2.278 135 A HA 0.398 4.716 4.320 -0.003 0.000 0.212 135 A C 1.452 179.019 177.584 -0.027 0.000 1.213 135 A CA 0.586 52.610 52.037 -0.022 0.000 0.840 135 A CB -0.757 18.232 19.000 -0.018 0.000 0.866 135 A HN 0.713 nan 8.150 nan 0.000 0.489 136 G N -1.657 107.125 108.800 -0.028 0.000 2.179 136 G HA2 -0.086 3.873 3.960 -0.003 0.000 0.260 136 G HA3 -0.086 3.873 3.960 -0.003 0.000 0.260 136 G C 0.747 175.621 174.900 -0.042 0.000 0.977 136 G CA 0.330 45.413 45.100 -0.029 0.000 0.641 136 G HN 1.382 nan 8.290 nan 0.000 0.533 137 G N -0.644 108.121 108.800 -0.058 0.000 2.572 137 G HA2 0.560 4.518 3.960 -0.003 0.000 0.261 137 G HA3 0.560 4.518 3.960 -0.003 0.000 0.261 137 G C 0.031 174.876 174.900 -0.092 0.000 1.197 137 G CA -0.720 44.334 45.100 -0.077 0.000 0.870 137 G HN 0.457 nan 8.290 nan 0.000 0.548 138 R N 1.382 121.816 120.500 -0.110 0.000 2.275 138 R HA 0.265 4.603 4.340 -0.003 0.000 0.326 138 R C -2.668 173.506 176.300 -0.210 0.000 0.973 138 R CA -1.509 54.517 56.100 -0.123 0.000 0.854 138 R CB 1.875 32.118 30.300 -0.095 0.000 1.156 138 R HN 0.303 nan 8.270 nan 0.000 0.487 139 P HA 0.029 nan 4.420 nan 0.000 0.267 139 P C -0.640 176.247 177.300 -0.688 0.000 1.205 139 P CA -0.118 62.649 63.100 -0.555 0.000 0.765 139 P CB 0.835 32.175 31.700 -0.600 0.000 0.828 140 V N 5.096 124.559 119.914 -0.751 0.000 2.444 140 V HA 0.393 4.511 4.120 -0.003 0.000 0.294 140 V C -0.439 175.279 176.094 -0.626 0.000 1.022 140 V CA -0.381 61.599 62.300 -0.534 0.000 0.850 140 V CB 0.826 32.462 31.823 -0.312 0.000 0.992 140 V HN 0.325 nan 8.190 nan 0.000 0.426 141 F N 3.869 123.791 119.950 -0.046 0.000 2.420 141 F HA 0.639 5.164 4.527 -0.002 0.000 0.342 141 F C 0.163 176.013 175.800 0.083 0.000 1.113 141 F CA -0.747 57.259 58.000 0.010 0.000 1.059 141 F CB 1.817 40.850 39.000 0.055 0.000 1.128 141 F HN 0.281 nan 8.300 nan 0.000 0.475 142 V N 2.912 122.976 119.914 0.249 0.000 2.513 142 V HA 0.619 4.737 4.120 -0.003 0.000 0.299 142 V C -0.673 175.588 176.094 0.277 0.000 1.035 142 V CA -0.291 62.148 62.300 0.232 0.000 0.889 142 V CB 1.848 33.767 31.823 0.161 0.000 0.988 142 V HN 0.768 nan 8.190 nan 0.000 0.440 143 S N 7.399 123.258 115.700 0.265 0.000 2.456 143 S HA 0.582 5.050 4.470 -0.003 0.000 0.316 143 S C -0.374 174.359 174.600 0.221 0.000 1.089 143 S CA -0.516 57.833 58.200 0.248 0.000 1.101 143 S CB 1.158 64.509 63.200 0.251 0.000 0.995 143 S HN 0.689 nan 8.310 nan 0.000 0.468 144 L N 3.275 124.645 121.223 0.245 0.000 2.514 144 L HA 0.121 4.460 4.340 -0.003 0.000 0.280 144 L C 0.484 177.464 176.870 0.183 0.000 1.223 144 L CA 0.012 55.010 54.840 0.263 0.000 0.864 144 L CB 0.181 42.482 42.059 0.403 0.000 1.118 144 L HN 0.370 nan 8.230 nan 0.000 0.494 145 K N 3.695 124.140 120.400 0.076 0.000 2.264 145 K HA 0.358 4.676 4.320 -0.003 0.000 0.277 145 K C -2.365 174.029 176.600 -0.344 0.000 1.067 145 K CA -2.121 54.127 56.287 -0.064 0.000 0.900 145 K CB 0.996 33.486 32.500 -0.017 0.000 1.124 145 K HN 0.180 nan 8.250 nan 0.000 0.469 146 P HA -0.049 nan 4.420 nan 0.000 0.264 146 P C 0.421 177.418 177.300 -0.505 0.000 1.193 146 P CA 0.181 62.504 63.100 -1.295 0.000 0.763 146 P CB 0.548 31.612 31.700 -1.060 0.000 0.810 147 G N 4.323 112.927 108.800 -0.328 0.000 2.636 147 G HA2 0.302 4.260 3.960 -0.003 0.000 0.246 147 G HA3 0.302 4.260 3.960 -0.003 0.000 0.246 147 G C -2.253 172.619 174.900 -0.046 0.000 1.216 147 G CA -0.934 44.115 45.100 -0.085 0.000 0.854 147 G HN 0.353 nan 8.290 nan 0.000 0.572 148 P HA 0.004 nan 4.420 nan 0.000 0.261 148 P C 0.311 177.619 177.300 0.014 0.000 1.183 148 P CA -0.259 62.835 63.100 -0.009 0.000 0.761 148 P CB 0.576 32.274 31.700 -0.003 0.000 0.785 149 I N 4.300 124.878 120.570 0.013 0.000 2.483 149 I HA -0.028 4.140 4.170 -0.003 0.000 0.291 149 I C 0.387 176.514 176.117 0.018 0.000 1.112 149 I CA 0.354 61.671 61.300 0.029 0.000 1.350 149 I CB 0.044 38.059 38.000 0.025 0.000 1.419 149 I HN 0.383 nan 8.210 nan 0.000 0.523 150 Q N 5.854 125.669 119.800 0.026 0.000 2.782 150 Q HA 0.113 4.451 4.340 -0.003 0.000 0.186 150 Q C 0.352 176.360 176.000 0.013 0.000 1.106 150 Q CA -0.342 55.472 55.803 0.018 0.000 0.757 150 Q CB 0.048 28.801 28.738 0.025 0.000 3.979 150 Q HN 0.606 nan 8.270 nan 0.000 0.389 151 N N 0.158 118.865 118.700 0.012 0.000 3.167 151 N HA 0.044 4.782 4.740 -0.003 0.000 0.318 151 N C 0.244 175.757 175.510 0.006 0.000 1.268 151 N CA 0.390 53.444 53.050 0.007 0.000 1.197 151 N CB -0.533 37.958 38.487 0.006 0.000 1.464 151 N HN 0.715 nan 8.380 nan 0.000 0.555 152 G N 0.924 109.728 108.800 0.007 0.000 2.184 152 G HA2 -0.311 3.647 3.960 -0.003 0.000 0.264 152 G HA3 -0.311 3.647 3.960 -0.003 0.000 0.264 152 G C -0.081 174.827 174.900 0.013 0.000 0.975 152 G CA 0.528 45.631 45.100 0.006 0.000 0.642 152 G HN 0.692 nan 8.290 nan 0.000 0.536 153 E N 0.733 120.946 120.200 0.021 0.000 2.319 153 E HA 0.633 4.982 4.350 -0.003 0.000 0.268 153 E C 0.479 177.106 176.600 0.044 0.000 1.050 153 E CA -1.070 55.347 56.400 0.028 0.000 0.878 153 E CB 1.206 30.924 29.700 0.029 0.000 1.066 153 E HN 0.319 nan 8.360 nan 0.000 0.406 154 L N 1.785 123.037 121.223 0.048 0.000 2.461 154 L HA 0.199 4.537 4.340 -0.003 0.000 0.272 154 L C 1.090 178.017 176.870 0.094 0.000 1.197 154 L CA -0.104 54.778 54.840 0.070 0.000 0.836 154 L CB 0.348 42.440 42.059 0.056 0.000 1.105 154 L HN 0.778 nan 8.230 nan 0.000 0.477 155 G N 1.140 110.024 108.800 0.140 0.000 2.636 155 G HA2 0.260 4.218 3.960 -0.003 0.000 0.246 155 G HA3 0.260 4.218 3.960 -0.003 0.000 0.246 155 G C -0.424 174.572 174.900 0.161 0.000 1.216 155 G CA -0.205 45.007 45.100 0.187 0.000 0.854 155 G HN 0.513 nan 8.290 nan 0.000 0.572 156 S N -0.910 114.895 115.700 0.175 0.000 2.526 156 S HA 0.440 4.908 4.470 -0.003 0.000 0.293 156 S C 1.312 175.980 174.600 0.113 0.000 1.092 156 S CA -0.346 57.917 58.200 0.106 0.000 0.980 156 S CB 1.770 65.020 63.200 0.084 0.000 1.048 156 S HN 0.482 nan 8.310 nan 0.000 0.483 157 S N 2.676 118.351 115.700 -0.041 0.000 2.400 157 S HA -0.132 4.336 4.470 -0.003 0.000 0.232 157 S C 2.163 176.727 174.600 -0.062 0.000 1.025 157 S CA 1.691 59.776 58.200 -0.192 0.000 0.993 157 S CB -0.459 62.593 63.200 -0.247 0.000 0.808 157 S HN 0.951 nan 8.310 nan 0.000 0.478 158 S N 2.690 118.372 115.700 -0.030 0.000 2.400 158 S HA -0.100 4.368 4.470 -0.003 0.000 0.232 158 S C 1.320 175.960 174.600 0.066 0.000 1.025 158 S CA 1.074 59.271 58.200 -0.005 0.000 0.993 158 S CB -0.431 62.791 63.200 0.037 0.000 0.808 158 S HN 0.438 nan 8.310 nan 0.000 0.478 159 N N 0.010 118.803 118.700 0.154 0.000 2.398 159 N HA 0.115 4.853 4.740 -0.003 0.000 0.188 159 N C -1.059 174.592 175.510 0.234 0.000 1.122 159 N CA 0.114 53.266 53.050 0.170 0.000 0.866 159 N CB -0.187 38.390 38.487 0.150 0.000 0.970 159 N HN 0.507 nan 8.380 nan 0.000 0.462 160 W N 2.704 123.985 121.300 -0.032 0.000 2.485 160 W HA 0.245 4.903 4.660 -0.003 0.000 0.315 160 W C 0.444 176.933 176.519 -0.051 0.000 1.304 160 W CA -0.381 56.952 57.345 -0.020 0.000 1.345 160 W CB 0.315 29.756 29.460 -0.032 0.000 1.368 160 W HN -0.182 nan 8.180 nan 0.000 0.497 161 Q N 3.081 122.951 119.800 0.116 0.000 2.235 161 Q HA 0.307 4.645 4.340 -0.003 0.000 0.250 161 Q C -0.661 175.393 176.000 0.089 0.000 0.909 161 Q CA -1.259 54.585 55.803 0.068 0.000 0.910 161 Q CB 2.222 30.987 28.738 0.045 0.000 1.223 161 Q HN 0.400 nan 8.270 nan 0.000 0.432 162 L N 2.939 124.211 121.223 0.081 0.000 2.288 162 L HA 0.206 4.544 4.340 -0.003 0.000 0.283 162 L C -0.533 176.406 176.870 0.115 0.000 1.072 162 L CA -0.221 54.699 54.840 0.133 0.000 0.862 162 L CB 0.261 42.431 42.059 0.186 0.000 1.245 162 L HN 0.471 nan 8.230 nan 0.000 0.432 163 D N 6.027 126.493 120.400 0.110 0.000 2.401 163 D HA 0.143 4.781 4.640 -0.003 0.000 0.254 163 D C -1.623 174.736 176.300 0.098 0.000 1.192 163 D CA -1.059 52.995 54.000 0.090 0.000 0.885 163 D CB 1.385 42.233 40.800 0.081 0.000 1.147 163 D HN 0.389 nan 8.370 nan 0.000 0.478 164 P HA -0.169 nan 4.420 nan 0.000 0.215 164 P C 1.309 178.658 177.300 0.082 0.000 1.153 164 P CA 1.414 64.562 63.100 0.081 0.000 0.853 164 P CB 0.105 31.840 31.700 0.058 0.000 0.788 165 M N -1.146 118.497 119.600 0.072 0.000 2.200 165 M HA -0.123 4.355 4.480 -0.003 0.000 0.265 165 M C 2.031 178.384 176.300 0.088 0.000 1.066 165 M CA 1.651 56.993 55.300 0.071 0.000 1.127 165 M CB -0.781 31.853 32.600 0.056 0.000 1.379 165 M HN -0.021 nan 8.290 nan 0.000 0.420 166 E N 0.595 120.852 120.200 0.095 0.000 2.051 166 E HA -0.213 4.135 4.350 -0.003 0.000 0.192 166 E C 1.986 178.666 176.600 0.133 0.000 0.991 166 E CA 1.145 57.611 56.400 0.109 0.000 0.799 166 E CB -0.228 29.540 29.700 0.113 0.000 0.748 166 E HN 0.280 nan 8.360 nan 0.000 0.449 167 L N 1.150 122.465 121.223 0.153 0.000 2.017 167 L HA -0.136 4.202 4.340 -0.003 0.000 0.208 167 L C 2.251 179.290 176.870 0.282 0.000 1.073 167 L CA 2.124 57.090 54.840 0.210 0.000 0.745 167 L CB -0.702 41.490 42.059 0.222 0.000 0.894 167 L HN 0.038 nan 8.230 nan 0.000 0.432 168 A N -0.552 122.387 122.820 0.198 0.000 1.940 168 A HA -0.107 4.211 4.320 -0.003 0.000 0.219 168 A C 2.302 180.002 177.584 0.194 0.000 1.176 168 A CA 1.551 53.694 52.037 0.176 0.000 0.631 168 A CB -1.608 17.448 19.000 0.093 0.000 0.814 168 A HN 0.553 nan 8.150 nan 0.000 0.446 169 G N -0.760 108.126 108.800 0.145 0.000 2.509 169 G HA2 -0.139 3.819 3.960 -0.003 0.000 0.218 169 G HA3 -0.139 3.819 3.960 -0.003 0.000 0.218 169 G C 1.472 176.426 174.900 0.090 0.000 1.124 169 G CA 0.859 46.025 45.100 0.110 0.000 0.776 169 G HN 0.414 nan 8.290 nan 0.000 0.547 170 K N -0.061 120.397 120.400 0.097 0.000 2.305 170 K HA 0.126 4.444 4.320 -0.003 0.000 0.199 170 K C 0.187 176.708 176.600 -0.132 0.000 1.047 170 K CA -0.228 56.049 56.287 -0.017 0.000 0.976 170 K CB -0.146 32.318 32.500 -0.060 0.000 0.765 170 K HN 0.350 nan 8.250 nan 0.000 0.474 171 F N 1.985 121.823 119.950 -0.188 0.000 2.495 171 F HA 0.020 4.544 4.527 -0.004 0.000 0.365 171 F C 1.389 176.988 175.800 -0.334 0.000 1.090 171 F CA 0.170 57.929 58.000 -0.401 0.000 1.235 171 F CB 0.682 39.172 39.000 -0.849 0.000 1.119 171 F HN -0.059 nan 8.300 nan 0.000 0.562 172 T N -2.037 112.449 114.554 -0.113 0.000 2.804 172 T HA 0.268 4.616 4.350 -0.003 0.000 0.290 172 T C 0.813 175.549 174.700 0.059 0.000 1.099 172 T CA -0.178 61.922 62.100 0.001 0.000 1.011 172 T CB 1.182 70.041 68.868 -0.015 0.000 1.291 172 T HN 0.427 nan 8.240 nan 0.000 0.523 173 S N -0.263 115.488 115.700 0.084 0.000 2.507 173 S HA -0.046 4.422 4.470 -0.003 0.000 0.235 173 S C 1.555 176.176 174.600 0.035 0.000 0.988 173 S CA 0.310 58.559 58.200 0.083 0.000 0.944 173 S CB -0.579 62.658 63.200 0.062 0.000 0.762 173 S HN 0.723 nan 8.310 nan 0.000 0.526 174 R N 0.911 121.411 120.500 0.000 0.000 2.300 174 R HA 0.163 4.501 4.340 -0.003 0.000 0.199 174 R C -0.087 176.179 176.300 -0.057 0.000 0.920 174 R CA 0.260 56.343 56.100 -0.028 0.000 1.046 174 R CB -0.061 30.216 30.300 -0.038 0.000 0.984 174 R HN 0.287 nan 8.270 nan 0.000 0.493 175 T N 1.520 116.031 114.554 -0.072 0.000 2.817 175 T HA 0.009 4.358 4.350 -0.003 0.000 0.295 175 T C 0.906 175.562 174.700 -0.072 0.000 0.958 175 T CA 0.267 62.289 62.100 -0.130 0.000 1.157 175 T CB 1.310 70.042 68.868 -0.227 0.000 0.898 175 T HN 0.021 nan 8.240 nan 0.000 0.536 176 K N 2.320 122.665 120.400 -0.092 0.000 2.244 176 K HA 0.483 4.801 4.320 -0.003 0.000 0.200 176 K C 0.380 176.932 176.600 -0.080 0.000 1.052 176 K CA 0.373 56.619 56.287 -0.069 0.000 0.980 176 K CB 0.492 32.950 32.500 -0.070 0.000 0.838 176 K HN 0.709 nan 8.250 nan 0.000 0.481 177 A N 0.143 122.894 122.820 -0.117 0.000 2.606 177 A HA 0.622 4.941 4.320 -0.003 0.000 0.293 177 A C -1.951 175.525 177.584 -0.179 0.000 1.082 177 A CA -0.758 51.201 52.037 -0.131 0.000 0.685 177 A CB 1.039 19.954 19.000 -0.141 0.000 1.284 177 A HN 0.192 nan 8.150 nan 0.000 0.408 178 L N 1.537 122.660 121.223 -0.166 0.000 2.362 178 L HA 0.772 5.110 4.340 -0.003 0.000 0.275 178 L C -1.401 175.351 176.870 -0.196 0.000 0.998 178 L CA -0.803 53.925 54.840 -0.187 0.000 0.820 178 L CB 1.975 43.962 42.059 -0.119 0.000 1.270 178 L HN 0.490 nan 8.230 nan 0.000 0.415 179 V N 5.628 125.409 119.914 -0.221 0.000 2.364 179 V HA 0.343 4.461 4.120 -0.003 0.000 0.272 179 V C -0.189 175.747 176.094 -0.264 0.000 1.036 179 V CA -0.451 61.658 62.300 -0.319 0.000 0.880 179 V CB 1.218 32.752 31.823 -0.481 0.000 0.991 179 V HN 0.573 nan 8.190 nan 0.000 0.460 180 L N 5.263 126.321 121.223 -0.276 0.000 2.322 180 L HA 0.566 4.904 4.340 -0.003 0.000 0.281 180 L C -0.203 176.521 176.870 -0.243 0.000 1.014 180 L CA 0.128 54.798 54.840 -0.284 0.000 0.815 180 L CB 1.483 43.349 42.059 -0.322 0.000 1.247 180 L HN 0.726 nan 8.230 nan 0.000 0.421 181 N N 3.019 121.611 118.700 -0.180 0.000 2.531 181 N HA 0.383 5.121 4.740 -0.003 0.000 0.268 181 N C -1.573 173.898 175.510 -0.065 0.000 1.023 181 N CA -0.150 52.880 53.050 -0.032 0.000 0.896 181 N CB 1.099 39.717 38.487 0.218 0.000 1.233 181 N HN 0.699 nan 8.380 nan 0.000 0.512 182 T N 3.206 117.733 114.554 -0.045 0.000 2.971 182 T HA 0.422 4.770 4.350 -0.003 0.000 0.304 182 T C -2.905 171.903 174.700 0.181 0.000 1.038 182 T CA -1.350 60.805 62.100 0.091 0.000 1.007 182 T CB 1.566 70.451 68.868 0.029 0.000 1.055 182 T HN 0.272 nan 8.240 nan 0.000 0.451 183 P HA 0.111 nan 4.420 nan 0.000 0.266 183 P C -0.516 176.888 177.300 0.173 0.000 1.195 183 P CA -0.271 62.935 63.100 0.176 0.000 0.768 183 P CB 0.381 32.138 31.700 0.096 0.000 0.838 184 N N 3.218 122.017 118.700 0.165 0.000 2.497 184 N HA 0.011 4.749 4.740 -0.003 0.000 0.271 184 N C -0.571 174.950 175.510 0.018 0.000 1.142 184 N CA 0.010 53.137 53.050 0.129 0.000 0.965 184 N CB 0.043 38.637 38.487 0.177 0.000 1.077 184 N HN 0.253 nan 8.380 nan 0.000 0.462 185 N N 4.300 123.005 118.700 0.009 0.000 2.425 185 N HA 0.352 5.090 4.740 -0.003 0.000 0.268 185 N C -2.075 173.205 175.510 -0.384 0.000 0.991 185 N CA -2.082 50.876 53.050 -0.152 0.000 0.931 185 N CB 1.563 40.065 38.487 0.025 0.000 1.130 185 N HN 0.400 nan 8.380 nan 0.000 0.493 186 P HA 0.042 nan 4.420 nan 0.000 0.264 186 P C 1.099 178.182 177.300 -0.362 0.000 1.259 186 P CA 0.003 62.669 63.100 -0.723 0.000 0.841 186 P CB 0.649 31.717 31.700 -1.052 0.000 1.232 187 L N 0.457 121.480 121.223 -0.334 0.000 2.179 187 L HA 0.329 4.668 4.340 -0.003 0.000 0.208 187 L C 1.561 178.293 176.870 -0.230 0.000 1.096 187 L CA 2.064 56.673 54.840 -0.385 0.000 0.779 187 L CB -1.256 40.478 42.059 -0.541 0.000 0.922 187 L HN 0.248 nan 8.230 nan 0.000 0.443 188 G N -0.033 108.702 108.800 -0.108 0.000 2.143 188 G HA2 -0.366 3.592 3.960 -0.003 0.000 0.249 188 G HA3 -0.366 3.592 3.960 -0.003 0.000 0.249 188 G C 0.529 175.396 174.900 -0.055 0.000 0.981 188 G CA 0.481 45.565 45.100 -0.026 0.000 0.665 188 G HN 0.515 nan 8.290 nan 0.000 0.528 189 K N 0.453 120.797 120.400 -0.093 0.000 2.412 189 K HA 0.447 4.765 4.320 -0.003 0.000 0.281 189 K C 0.051 176.673 176.600 0.037 0.000 1.027 189 K CA -0.325 55.902 56.287 -0.100 0.000 0.989 189 K CB 0.629 33.015 32.500 -0.191 0.000 0.935 189 K HN 0.032 nan 8.250 nan 0.000 0.475 190 V N 6.413 126.329 119.914 0.002 0.000 2.328 190 V HA 0.217 4.336 4.120 -0.003 0.000 0.278 190 V C -0.460 175.721 176.094 0.146 0.000 1.021 190 V CA -0.746 61.624 62.300 0.118 0.000 0.838 190 V CB 0.256 32.115 31.823 0.061 0.000 0.999 190 V HN 0.607 nan 8.190 nan 0.000 0.447 191 F N 3.581 123.544 119.950 0.021 0.000 2.572 191 F HA 0.222 4.748 4.527 -0.002 0.000 0.370 191 F C 1.357 177.169 175.800 0.021 0.000 1.103 191 F CA 0.275 58.290 58.000 0.024 0.000 1.286 191 F CB 0.792 39.799 39.000 0.012 0.000 1.105 191 F HN 0.602 nan 8.300 nan 0.000 0.583 192 S N 3.791 119.578 115.700 0.144 0.000 2.624 192 S HA 0.279 4.747 4.470 -0.003 0.000 0.263 192 S C 1.430 176.087 174.600 0.095 0.000 1.287 192 S CA -0.734 57.528 58.200 0.103 0.000 0.990 192 S CB 1.039 64.281 63.200 0.071 0.000 0.950 192 S HN 0.771 nan 8.310 nan 0.000 0.561 193 R N 0.651 121.185 120.500 0.057 0.000 2.091 193 R HA -0.140 4.198 4.340 -0.003 0.000 0.238 193 R C 2.142 178.472 176.300 0.050 0.000 1.136 193 R CA 1.994 58.118 56.100 0.041 0.000 0.959 193 R CB -0.452 29.862 30.300 0.023 0.000 0.856 193 R HN 0.880 nan 8.270 nan 0.000 0.437 194 E N 0.045 120.275 120.200 0.051 0.000 2.085 194 E HA -0.224 4.124 4.350 -0.003 0.000 0.194 194 E C 1.939 178.583 176.600 0.073 0.000 0.994 194 E CA 1.646 58.077 56.400 0.051 0.000 0.801 194 E CB 0.000 29.726 29.700 0.043 0.000 0.743 194 E HN 0.511 nan 8.360 nan 0.000 0.453 195 E N 0.515 120.777 120.200 0.103 0.000 2.077 195 E HA -0.157 4.191 4.350 -0.003 0.000 0.193 195 E C 2.216 178.926 176.600 0.184 0.000 0.989 195 E CA 0.715 57.214 56.400 0.164 0.000 0.800 195 E CB -0.026 29.802 29.700 0.214 0.000 0.746 195 E HN 0.227 nan 8.360 nan 0.000 0.452 196 L N 0.805 122.118 121.223 0.150 0.000 2.093 196 L HA -0.176 4.163 4.340 -0.003 0.000 0.208 196 L C 2.234 179.135 176.870 0.051 0.000 1.085 196 L CA 1.132 56.022 54.840 0.083 0.000 0.755 196 L CB -0.357 41.725 42.059 0.040 0.000 0.904 196 L HN 0.126 nan 8.230 nan 0.000 0.435 197 E N 0.103 120.332 120.200 0.047 0.000 2.106 197 E HA -0.244 4.104 4.350 -0.003 0.000 0.192 197 E C 2.073 178.689 176.600 0.026 0.000 0.984 197 E CA 0.961 57.378 56.400 0.029 0.000 0.806 197 E CB -0.100 29.614 29.700 0.025 0.000 0.750 197 E HN 0.267 nan 8.360 nan 0.000 0.458 198 L N 0.630 121.880 121.223 0.046 0.000 1.994 198 L HA -0.169 4.169 4.340 -0.003 0.000 0.208 198 L C 2.187 179.077 176.870 0.033 0.000 1.071 198 L CA 1.522 56.388 54.840 0.043 0.000 0.745 198 L CB -0.478 41.625 42.059 0.074 0.000 0.892 198 L HN -0.064 nan 8.230 nan 0.000 0.431 199 V N 0.405 120.359 119.914 0.067 0.000 2.295 199 V HA -0.304 3.814 4.120 -0.003 0.000 0.246 199 V C 2.859 178.969 176.094 0.026 0.000 1.049 199 V CA 1.739 64.083 62.300 0.073 0.000 1.024 199 V CB -1.548 30.318 31.823 0.072 0.000 0.648 199 V HN 0.642 nan 8.190 nan 0.000 0.447 200 A N -0.580 122.247 122.820 0.012 0.000 1.908 200 A HA -0.259 4.059 4.320 -0.003 0.000 0.218 200 A C 2.574 180.142 177.584 -0.026 0.000 1.181 200 A CA 2.339 54.375 52.037 -0.002 0.000 0.627 200 A CB -0.873 18.128 19.000 0.002 0.000 0.818 200 A HN 0.496 nan 8.150 nan 0.000 0.445 201 S N -0.550 115.128 115.700 -0.036 0.000 2.359 201 S HA -0.122 4.347 4.470 -0.003 0.000 0.224 201 S C 1.931 176.460 174.600 -0.118 0.000 1.035 201 S CA 1.611 59.774 58.200 -0.061 0.000 1.018 201 S CB -0.467 62.703 63.200 -0.050 0.000 0.876 201 S HN 0.477 nan 8.310 nan 0.000 0.448 202 L N 0.524 121.631 121.223 -0.194 0.000 2.109 202 L HA -0.066 4.272 4.340 -0.003 0.000 0.207 202 L C 2.768 179.417 176.870 -0.369 0.000 1.086 202 L CA 0.854 55.433 54.840 -0.435 0.000 0.760 202 L CB -0.610 40.910 42.059 -0.898 0.000 0.910 202 L HN 0.441 nan 8.230 nan 0.000 0.437 203 C N -0.415 118.806 119.300 -0.132 0.000 2.425 203 C HA -0.160 4.298 4.460 -0.003 0.000 0.277 203 C C 2.845 177.855 174.990 0.033 0.000 1.280 203 C CA 0.688 59.743 59.018 0.061 0.000 1.744 203 C CB -0.773 27.018 27.740 0.084 0.000 1.989 203 C HN 0.543 nan 8.230 nan 0.000 0.491 204 Q N 0.072 119.862 119.800 -0.018 0.000 2.049 204 Q HA -0.239 4.099 4.340 -0.003 0.000 0.198 204 Q C 2.319 178.289 176.000 -0.049 0.000 0.971 204 Q CA 1.383 57.173 55.803 -0.022 0.000 0.833 204 Q CB -0.361 28.361 28.738 -0.028 0.000 0.896 204 Q HN 0.721 nan 8.270 nan 0.000 0.434 205 Q N 0.215 119.954 119.800 -0.102 0.000 2.096 205 Q HA -0.214 4.124 4.340 -0.003 0.000 0.204 205 Q C 1.318 177.166 176.000 -0.253 0.000 0.982 205 Q CA 1.342 57.026 55.803 -0.198 0.000 0.850 205 Q CB 0.095 28.665 28.738 -0.280 0.000 0.901 205 Q HN 0.533 nan 8.270 nan 0.000 0.422 206 H N -0.566 118.464 119.070 -0.066 0.000 2.551 206 H HA 0.051 4.605 4.556 -0.004 0.000 0.271 206 H C -0.248 175.108 175.328 0.045 0.000 0.984 206 H CA 0.614 56.674 56.048 0.019 0.000 1.164 206 H CB 0.472 30.309 29.762 0.125 0.000 1.437 206 H HN 0.358 nan 8.280 nan 0.000 0.550 207 D N 1.122 121.585 120.400 0.104 0.000 2.828 207 D HA -0.165 4.474 4.640 -0.003 0.000 0.241 207 D C -0.962 175.395 176.300 0.096 0.000 1.142 207 D CA 0.230 54.274 54.000 0.074 0.000 0.755 207 D CB -1.279 39.547 40.800 0.043 0.000 1.014 207 D HN 0.015 nan 8.370 nan 0.000 0.420 208 V N 1.142 121.129 119.914 0.121 0.000 2.715 208 V HA 0.544 4.662 4.120 -0.003 0.000 0.310 208 V C 0.640 176.759 176.094 0.042 0.000 1.054 208 V CA -0.974 61.392 62.300 0.109 0.000 0.928 208 V CB 2.273 34.245 31.823 0.248 0.000 1.007 208 V HN 0.097 nan 8.190 nan 0.000 0.437 209 V N 2.827 122.729 119.914 -0.021 0.000 2.498 209 V HA 0.209 4.327 4.120 -0.003 0.000 0.279 209 V C 0.227 176.262 176.094 -0.098 0.000 1.048 209 V CA -0.346 61.908 62.300 -0.077 0.000 0.967 209 V CB 1.384 33.131 31.823 -0.126 0.000 0.988 209 V HN 1.021 nan 8.190 nan 0.000 0.473 210 C N 7.460 126.693 119.300 -0.111 0.000 2.265 210 C HA 0.548 5.006 4.460 -0.003 0.000 0.332 210 C C 0.155 175.022 174.990 -0.205 0.000 1.248 210 C CA -0.735 58.203 59.018 -0.135 0.000 1.727 210 C CB -1.335 26.346 27.740 -0.099 0.000 2.348 210 C HN 0.770 nan 8.230 nan 0.000 0.519 211 I N 5.958 126.372 120.570 -0.260 0.000 2.301 211 I HA 0.218 4.386 4.170 -0.003 0.000 0.292 211 I C 0.675 176.608 176.117 -0.306 0.000 1.046 211 I CA 0.484 61.586 61.300 -0.330 0.000 1.282 211 I CB 1.205 38.921 38.000 -0.473 0.000 1.409 211 I HN 0.611 nan 8.210 nan 0.000 0.484 212 T N 4.635 119.034 114.554 -0.259 0.000 2.788 212 T HA 0.148 4.496 4.350 -0.003 0.000 0.296 212 T C -0.547 174.027 174.700 -0.211 0.000 1.009 212 T CA -0.645 61.321 62.100 -0.223 0.000 0.949 212 T CB 0.454 69.216 68.868 -0.176 0.000 0.946 212 T HN 0.473 nan 8.240 nan 0.000 0.453 213 D N 4.222 124.501 120.400 -0.201 0.000 2.411 213 D HA 0.182 4.820 4.640 -0.003 0.000 0.225 213 D C 0.341 176.542 176.300 -0.164 0.000 1.156 213 D CA -0.245 53.641 54.000 -0.189 0.000 0.874 213 D CB 0.847 41.584 40.800 -0.104 0.000 1.034 213 D HN 0.647 nan 8.370 nan 0.000 0.502 214 E N 2.726 122.806 120.200 -0.200 0.000 2.609 214 E HA 0.041 4.389 4.350 -0.003 0.000 0.208 214 E C 1.758 178.170 176.600 -0.312 0.000 1.013 214 E CA -0.098 56.202 56.400 -0.168 0.000 1.093 214 E CB 0.794 30.453 29.700 -0.068 0.000 1.129 214 E HN 0.440 nan 8.360 nan 0.000 0.450 215 V N -1.749 117.916 119.914 -0.415 0.000 2.490 215 V HA -0.239 3.879 4.120 -0.003 0.000 0.250 215 V C 1.269 176.992 176.094 -0.617 0.000 1.061 215 V CA 1.343 63.295 62.300 -0.580 0.000 1.064 215 V CB -0.735 30.622 31.823 -0.777 0.000 0.670 215 V HN 0.294 nan 8.190 nan 0.000 0.461 216 Y N 0.920 121.057 120.300 -0.271 0.000 2.537 216 Y HA 0.290 4.839 4.550 -0.002 0.000 0.303 216 Y C 2.313 178.020 175.900 -0.322 0.000 1.176 216 Y CA 0.107 58.054 58.100 -0.256 0.000 1.273 216 Y CB -0.671 37.653 38.460 -0.227 0.000 1.110 216 Y HN 0.370 nan 8.280 nan 0.000 0.518 217 Q N -0.126 119.392 119.800 -0.470 0.000 2.182 217 Q HA -0.270 4.068 4.340 -0.003 0.000 0.213 217 Q C 0.929 176.431 176.000 -0.830 0.000 1.000 217 Q CA 2.943 58.120 55.803 -1.043 0.000 0.889 217 Q CB -0.256 27.718 28.738 -1.274 0.000 0.932 217 Q HN 0.672 nan 8.270 nan 0.000 0.415 218 W N -0.802 120.377 121.300 -0.202 0.000 2.863 218 W HA 0.167 4.825 4.660 -0.005 0.000 0.258 218 W C 0.323 176.811 176.519 -0.052 0.000 1.298 218 W CA -0.581 56.675 57.345 -0.147 0.000 1.451 218 W CB 0.430 29.708 29.460 -0.303 0.000 1.107 218 W HN 0.072 nan 8.180 nan 0.000 0.641 219 M N 2.318 121.972 119.600 0.089 0.000 3.176 219 M HA 0.217 4.696 4.480 -0.003 0.000 0.284 219 M C -0.248 175.793 176.300 -0.432 0.000 1.392 219 M CA -0.457 54.820 55.300 -0.039 0.000 1.520 219 M CB -1.417 31.271 32.600 0.146 0.000 1.100 219 M HN -0.195 nan 8.290 nan 0.000 0.555 220 V N 0.051 119.684 119.914 -0.469 0.000 2.823 220 V HA 0.777 4.895 4.120 -0.003 0.000 0.312 220 V C -1.284 174.508 176.094 -0.503 0.000 1.072 220 V CA -0.848 61.155 62.300 -0.495 0.000 0.937 220 V CB 2.075 33.837 31.823 -0.102 0.000 1.013 220 V HN 0.495 nan 8.190 nan 0.000 0.430 221 Y N 0.416 120.779 120.300 0.106 0.000 2.633 221 Y HA 0.668 5.217 4.550 -0.002 0.000 0.339 221 Y C 0.515 176.503 175.900 0.147 0.000 1.045 221 Y CA -1.051 57.099 58.100 0.083 0.000 1.098 221 Y CB 0.993 39.464 38.460 0.018 0.000 1.296 221 Y HN 0.777 nan 8.280 nan 0.000 0.494 222 D N 0.324 120.898 120.400 0.291 0.000 2.945 222 D HA -0.163 4.475 4.640 -0.003 0.000 0.225 222 D C 1.243 177.664 176.300 0.202 0.000 1.158 222 D CA 1.861 56.002 54.000 0.236 0.000 0.805 222 D CB -1.309 39.662 40.800 0.285 0.000 1.098 222 D HN 1.147 nan 8.370 nan 0.000 0.426 223 G N -0.702 108.188 108.800 0.150 0.000 2.184 223 G HA2 -0.362 3.596 3.960 -0.003 0.000 0.264 223 G HA3 -0.362 3.596 3.960 -0.003 0.000 0.264 223 G C 0.235 175.148 174.900 0.021 0.000 0.975 223 G CA 0.515 45.654 45.100 0.064 0.000 0.642 223 G HN 0.674 nan 8.290 nan 0.000 0.536 224 H N 0.857 119.958 119.070 0.052 0.000 2.764 224 H HA 0.267 4.821 4.556 -0.003 0.000 0.341 224 H C 0.284 175.636 175.328 0.039 0.000 1.072 224 H CA 0.360 56.433 56.048 0.042 0.000 1.444 224 H CB 0.689 30.475 29.762 0.040 0.000 1.458 224 H HN 0.259 nan 8.280 nan 0.000 0.572 225 Q N 2.178 122.049 119.800 0.119 0.000 2.271 225 Q HA 0.094 4.432 4.340 -0.003 0.000 0.258 225 Q C -0.295 175.765 176.000 0.101 0.000 0.936 225 Q CA -0.707 55.151 55.803 0.093 0.000 0.909 225 Q CB 1.689 30.458 28.738 0.051 0.000 1.253 225 Q HN 0.610 nan 8.270 nan 0.000 0.440 226 H N 2.273 121.339 119.070 -0.007 0.000 2.819 226 H HA 0.321 4.874 4.556 -0.004 0.000 0.303 226 H C -0.745 174.563 175.328 -0.033 0.000 1.058 226 H CA 0.175 56.196 56.048 -0.045 0.000 1.471 226 H CB 0.147 29.816 29.762 -0.155 0.000 1.480 226 H HN 0.466 nan 8.280 nan 0.000 0.517 227 I N 4.402 124.690 120.570 -0.471 0.000 2.406 227 I HA 0.167 4.335 4.170 -0.003 0.000 0.290 227 I C -0.169 175.641 176.117 -0.512 0.000 0.999 227 I CA -0.620 60.479 61.300 -0.336 0.000 1.124 227 I CB 1.797 39.715 38.000 -0.136 0.000 1.289 227 I HN 0.552 nan 8.210 nan 0.000 0.441 228 S N 5.880 121.401 115.700 -0.299 0.000 2.465 228 S HA 0.286 4.754 4.470 -0.003 0.000 0.279 228 S C 1.224 175.774 174.600 -0.084 0.000 1.201 228 S CA -0.493 57.609 58.200 -0.162 0.000 1.053 228 S CB 1.196 64.399 63.200 0.006 0.000 0.953 228 S HN 0.608 nan 8.310 nan 0.000 0.488 229 I N 3.298 123.817 120.570 -0.086 0.000 2.423 229 I HA -0.240 3.928 4.170 -0.003 0.000 0.254 229 I C 2.173 178.291 176.117 0.001 0.000 1.151 229 I CA 1.106 62.377 61.300 -0.048 0.000 1.421 229 I CB -0.180 37.778 38.000 -0.069 0.000 1.079 229 I HN 0.793 nan 8.210 nan 0.000 0.431 230 A N -0.077 122.761 122.820 0.029 0.000 2.125 230 A HA -0.181 4.137 4.320 -0.003 0.000 0.219 230 A C 2.321 180.004 177.584 0.164 0.000 1.156 230 A CA 1.619 53.730 52.037 0.123 0.000 0.671 230 A CB -0.671 18.445 19.000 0.193 0.000 0.794 230 A HN 0.616 nan 8.150 nan 0.000 0.459 231 S N -1.259 114.491 115.700 0.084 0.000 2.528 231 S HA 0.244 4.713 4.470 -0.003 0.000 0.219 231 S C 0.413 175.035 174.600 0.037 0.000 0.985 231 S CA -0.281 57.951 58.200 0.053 0.000 0.914 231 S CB -0.451 62.762 63.200 0.021 0.000 0.776 231 S HN 0.162 nan 8.310 nan 0.000 0.526 232 L N 2.637 123.881 121.223 0.036 0.000 2.439 232 L HA 0.420 4.759 4.340 -0.003 0.000 0.269 232 L C -2.336 174.556 176.870 0.038 0.000 1.179 232 L CA -1.866 52.990 54.840 0.026 0.000 0.828 232 L CB -0.456 41.613 42.059 0.016 0.000 1.106 232 L HN 0.000 nan 8.230 nan 0.000 0.467 233 P HA 0.106 nan 4.420 nan 0.000 0.261 233 P C 0.705 178.026 177.300 0.037 0.000 1.183 233 P CA 0.975 64.092 63.100 0.028 0.000 0.761 233 P CB 0.416 32.125 31.700 0.015 0.000 0.785 234 G N 3.049 111.881 108.800 0.053 0.000 2.184 234 G HA2 -0.315 3.643 3.960 -0.003 0.000 0.264 234 G HA3 -0.315 3.643 3.960 -0.003 0.000 0.264 234 G C 0.863 175.805 174.900 0.070 0.000 0.975 234 G CA 0.159 45.294 45.100 0.057 0.000 0.642 234 G HN 0.407 nan 8.290 nan 0.000 0.536 235 M N -0.923 118.729 119.600 0.086 0.000 2.501 235 M HA 0.234 4.712 4.480 -0.003 0.000 0.261 235 M C 2.043 178.401 176.300 0.097 0.000 1.129 235 M CA 0.242 55.582 55.300 0.068 0.000 1.126 235 M CB -0.947 31.679 32.600 0.045 0.000 1.359 235 M HN 0.570 nan 8.290 nan 0.000 0.471 236 W N 2.408 123.701 121.300 -0.012 0.000 2.325 236 W HA -0.219 4.432 4.660 -0.015 0.000 0.299 236 W C 1.110 177.632 176.519 0.005 0.000 1.215 236 W CA 1.429 58.767 57.345 -0.012 0.000 1.244 236 W CB -0.032 29.423 29.460 -0.008 0.000 1.140 236 W HN 0.169 nan 8.180 nan 0.000 0.523 237 E N 0.337 120.569 120.200 0.053 0.000 2.478 237 E HA -0.161 4.188 4.350 -0.003 0.000 0.198 237 E C 1.491 178.087 176.600 -0.008 0.000 1.046 237 E CA 1.116 57.540 56.400 0.039 0.000 0.870 237 E CB -0.173 29.611 29.700 0.139 0.000 0.818 237 E HN 0.622 nan 8.360 nan 0.000 0.527 238 R N -1.142 119.305 120.500 -0.088 0.000 2.616 238 R HA 0.270 4.609 4.340 -0.003 0.000 0.427 238 R C -0.214 175.988 176.300 -0.163 0.000 1.030 238 R CA -0.206 55.838 56.100 -0.094 0.000 1.133 238 R CB 0.243 30.530 30.300 -0.021 0.000 1.444 238 R HN -0.234 nan 8.270 nan 0.000 0.578 239 T N 1.484 115.884 114.554 -0.257 0.000 2.861 239 T HA 0.477 4.825 4.350 -0.003 0.000 0.287 239 T C -0.791 173.694 174.700 -0.358 0.000 1.003 239 T CA -0.551 61.397 62.100 -0.253 0.000 0.977 239 T CB 2.191 70.958 68.868 -0.168 0.000 0.996 239 T HN 0.087 nan 8.240 nan 0.000 0.448 240 L N 2.702 123.744 121.223 -0.303 0.000 2.305 240 L HA 0.511 4.849 4.340 -0.003 0.000 0.284 240 L C 0.043 176.766 176.870 -0.245 0.000 1.013 240 L CA -0.675 53.981 54.840 -0.306 0.000 0.819 240 L CB 1.659 43.536 42.059 -0.303 0.000 1.227 240 L HN 0.599 nan 8.230 nan 0.000 0.417 241 T N 4.516 118.950 114.554 -0.200 0.000 2.771 241 T HA 0.596 4.944 4.350 -0.003 0.000 0.281 241 T C -0.134 174.465 174.700 -0.168 0.000 0.982 241 T CA -0.230 61.781 62.100 -0.148 0.000 0.978 241 T CB 1.159 69.990 68.868 -0.061 0.000 0.930 241 T HN 0.262 nan 8.240 nan 0.000 0.447 242 I N 2.442 122.870 120.570 -0.237 0.000 2.404 242 I HA 0.672 4.840 4.170 -0.003 0.000 0.293 242 I C 0.701 176.511 176.117 -0.511 0.000 0.992 242 I CA -0.513 60.572 61.300 -0.358 0.000 1.149 242 I CB 1.875 39.687 38.000 -0.313 0.000 1.315 242 I HN 0.721 nan 8.210 nan 0.000 0.446 243 G N 2.669 110.868 108.800 -1.001 0.000 2.730 243 G HA2 0.612 4.570 3.960 -0.003 0.000 0.289 243 G HA3 0.612 4.570 3.960 -0.003 0.000 0.289 243 G C -1.645 172.359 174.900 -1.494 0.000 1.341 243 G CA -0.494 43.898 45.100 -1.181 0.000 0.932 243 G HN 0.450 nan 8.290 nan 0.000 0.481 244 S N -1.096 114.009 115.700 -0.992 0.000 2.672 244 S HA 0.548 5.016 4.470 -0.003 0.000 0.291 244 S C 1.064 175.587 174.600 -0.129 0.000 1.145 244 S CA 0.398 58.264 58.200 -0.557 0.000 1.013 244 S CB 1.369 64.345 63.200 -0.373 0.000 1.017 244 S HN 1.410 nan 8.310 nan 0.000 0.487 245 A N 4.508 127.458 122.820 0.217 0.000 1.933 245 A HA 0.268 4.586 4.320 -0.003 0.000 0.218 245 A C 1.427 179.150 177.584 0.232 0.000 1.175 245 A CA 1.351 53.706 52.037 0.530 0.000 0.628 245 A CB -1.342 18.086 19.000 0.712 0.000 0.814 245 A HN 1.077 nan 8.150 nan 0.000 0.444 249 F N 2.552 122.527 119.950 0.041 0.000 2.668 249 F HA 0.532 5.056 4.527 -0.004 0.000 0.301 249 F C 0.923 176.496 175.800 -0.377 0.000 1.106 249 F CA -0.472 57.378 58.000 -0.250 0.000 1.289 249 F CB 0.154 38.843 39.000 -0.518 0.000 1.006 249 F HN -0.015 nan 8.300 nan 0.000 0.535 250 S N 1.073 116.753 115.700 -0.034 0.000 3.706 250 S HA -0.123 4.345 4.470 -0.003 0.000 0.363 250 S C 0.353 174.817 174.600 -0.227 0.000 0.999 250 S CA 0.577 58.739 58.200 -0.062 0.000 1.143 250 S CB -1.450 61.681 63.200 -0.116 0.000 0.902 250 S HN 0.605 nan 8.310 nan 0.000 0.476 251 A N 0.282 122.909 122.820 -0.322 0.000 3.453 251 A HA 0.618 4.936 4.320 -0.003 0.000 0.262 251 A C 1.127 178.514 177.584 -0.328 0.000 1.026 251 A CA 0.340 52.031 52.037 -0.577 0.000 0.938 251 A CB -0.022 18.037 19.000 -1.569 0.000 1.246 251 A HN 0.773 nan 8.150 nan 0.000 0.546 252 T N -2.692 111.795 114.554 -0.112 0.000 2.849 252 T HA -0.092 4.256 4.350 -0.003 0.000 0.270 252 T C 1.694 176.402 174.700 0.015 0.000 1.066 252 T CA 1.928 64.019 62.100 -0.014 0.000 1.130 252 T CB -0.225 68.660 68.868 0.029 0.000 0.864 252 T HN 0.762 nan 8.240 nan 0.000 0.481 253 G N -0.649 108.164 108.800 0.021 0.000 2.848 253 G HA2 0.057 4.015 3.960 -0.003 0.000 0.208 253 G HA3 0.057 4.015 3.960 -0.003 0.000 0.208 253 G C 0.936 176.035 174.900 0.331 0.000 1.152 253 G CA -0.149 45.023 45.100 0.119 0.000 0.789 253 G HN 0.487 nan 8.290 nan 0.000 0.531 254 W N 0.381 121.712 121.300 0.052 0.000 2.436 254 W HA 0.205 4.863 4.660 -0.004 0.000 0.284 254 W C 0.926 177.475 176.519 0.050 0.000 1.225 254 W CA -0.090 57.287 57.345 0.053 0.000 1.271 254 W CB 0.092 29.553 29.460 0.001 0.000 1.114 254 W HN 0.031 nan 8.180 nan 0.000 0.559 255 K N -0.013 120.555 120.400 0.280 0.000 3.278 255 K HA -0.166 4.153 4.320 -0.003 0.000 0.270 255 K C -0.776 175.943 176.600 0.199 0.000 0.955 255 K CA 0.523 56.923 56.287 0.190 0.000 0.723 255 K CB -2.159 30.424 32.500 0.137 0.000 1.382 255 K HN 0.002 nan 8.250 nan 0.000 0.461 256 V N -0.317 119.745 119.914 0.247 0.000 2.495 256 V HA 0.799 4.917 4.120 -0.003 0.000 0.298 256 V C 0.994 177.238 176.094 0.250 0.000 1.031 256 V CA -0.179 62.288 62.300 0.277 0.000 0.871 256 V CB 2.176 34.211 31.823 0.352 0.000 0.988 256 V HN 0.528 nan 8.190 nan 0.000 0.432 257 G N 2.978 111.897 108.800 0.198 0.000 2.866 257 G HA2 0.852 4.810 3.960 -0.003 0.000 0.289 257 G HA3 0.852 4.810 3.960 -0.003 0.000 0.289 257 G C -1.896 173.115 174.900 0.186 0.000 1.396 257 G CA -0.641 44.423 45.100 -0.060 0.000 0.848 257 G HN 0.969 nan 8.290 nan 0.000 0.515 258 W N -1.711 119.611 121.300 0.038 0.000 3.074 258 W HA 0.706 5.363 4.660 -0.005 0.000 0.332 258 W C -1.649 174.822 176.519 -0.080 0.000 1.253 258 W CA -1.377 55.962 57.345 -0.010 0.000 1.180 258 W CB 1.125 30.578 29.460 -0.012 0.000 1.445 258 W HN 0.416 nan 8.180 nan 0.000 0.573 259 V N 2.426 122.418 119.914 0.130 0.000 2.604 259 V HA 0.621 4.739 4.120 -0.003 0.000 0.305 259 V C -0.324 175.802 176.094 0.054 0.000 1.043 259 V CA -1.162 61.140 62.300 0.003 0.000 0.888 259 V CB 1.369 33.139 31.823 -0.088 0.000 0.995 259 V HN 0.596 nan 8.190 nan 0.000 0.429 260 L N 3.632 124.861 121.223 0.010 0.000 2.346 260 L HA 1.023 5.361 4.340 -0.003 0.000 0.276 260 L C 0.467 177.214 176.870 -0.206 0.000 1.006 260 L CA -0.191 54.660 54.840 0.018 0.000 0.817 260 L CB 1.895 44.034 42.059 0.133 0.000 1.272 260 L HN 0.904 nan 8.230 nan 0.000 0.421 261 G N 2.303 110.902 108.800 -0.334 0.000 2.349 261 G HA2 0.405 4.363 3.960 -0.003 0.000 0.294 261 G HA3 0.405 4.363 3.960 -0.003 0.000 0.294 261 G C -3.340 171.137 174.900 -0.704 0.000 1.380 261 G CA -0.631 43.949 45.100 -0.868 0.000 0.811 261 G HN 0.275 nan 8.290 nan 0.000 0.519 262 P HA 0.231 nan 4.420 nan 0.000 0.277 262 P C -0.007 177.151 177.300 -0.238 0.000 1.240 262 P CA 0.029 62.922 63.100 -0.344 0.000 0.798 262 P CB 1.935 33.421 31.700 -0.356 0.000 0.979 263 D N 0.611 120.981 120.400 -0.051 0.000 2.123 263 D HA -0.251 4.387 4.640 -0.003 0.000 0.196 263 D C 1.728 177.938 176.300 -0.150 0.000 0.992 263 D CA 1.475 55.420 54.000 -0.091 0.000 0.833 263 D CB -0.372 40.418 40.800 -0.017 0.000 0.954 263 D HN 0.528 nan 8.370 nan 0.000 0.455 264 H N -0.252 118.746 119.070 -0.120 0.000 2.521 264 H HA -0.028 4.520 4.556 -0.012 0.000 0.286 264 H C 1.959 177.222 175.328 -0.108 0.000 1.034 264 H CA 0.913 56.893 56.048 -0.114 0.000 1.278 264 H CB -0.306 29.424 29.762 -0.053 0.000 1.386 264 H HN 0.321 nan 8.280 nan 0.000 0.567 265 I N 0.136 120.322 120.570 -0.640 0.000 2.729 265 I HA -0.107 4.061 4.170 -0.003 0.000 0.256 265 I C 2.310 178.250 176.117 -0.294 0.000 1.115 265 I CA 0.152 61.210 61.300 -0.403 0.000 1.446 265 I CB -0.117 37.582 38.000 -0.502 0.000 1.176 265 I HN 0.037 nan 8.210 nan 0.000 0.446 266 M N 1.814 121.212 119.600 -0.337 0.000 2.213 266 M HA -0.182 4.296 4.480 -0.003 0.000 0.263 266 M C 2.284 178.385 176.300 -0.331 0.000 1.062 266 M CA 1.692 56.815 55.300 -0.296 0.000 1.105 266 M CB -1.018 31.421 32.600 -0.269 0.000 1.385 266 M HN 0.328 nan 8.290 nan 0.000 0.417 267 K N -0.854 119.308 120.400 -0.397 0.000 2.152 267 K HA -0.200 4.118 4.320 -0.003 0.000 0.206 267 K C 1.604 177.947 176.600 -0.429 0.000 1.048 267 K CA 1.489 57.505 56.287 -0.451 0.000 0.933 267 K CB -0.622 31.598 32.500 -0.466 0.000 0.721 267 K HN 0.381 nan 8.250 nan 0.000 0.447 268 H N 0.647 119.620 119.070 -0.163 0.000 2.395 268 H HA 0.016 4.577 4.556 0.009 0.000 0.299 268 H C 2.180 177.428 175.328 -0.133 0.000 1.070 268 H CA 1.092 57.062 56.048 -0.131 0.000 1.356 268 H CB -0.135 29.552 29.762 -0.124 0.000 1.401 268 H HN 0.104 nan 8.280 nan 0.000 0.524 269 L N 0.769 121.946 121.223 -0.076 0.000 2.083 269 L HA -0.122 4.216 4.340 -0.003 0.000 0.209 269 L C 2.680 179.498 176.870 -0.088 0.000 1.083 269 L CA 1.286 56.071 54.840 -0.091 0.000 0.752 269 L CB -0.422 41.558 42.059 -0.131 0.000 0.899 269 L HN 0.087 nan 8.230 nan 0.000 0.433 270 R N -1.117 119.247 120.500 -0.228 0.000 2.096 270 R HA -0.132 4.206 4.340 -0.003 0.000 0.235 270 R C 2.174 178.456 176.300 -0.030 0.000 1.127 270 R CA 1.774 57.683 56.100 -0.319 0.000 0.968 270 R CB -0.872 28.902 30.300 -0.877 0.000 0.861 270 R HN 0.370 nan 8.270 nan 0.000 0.440 271 T N 0.883 115.412 114.554 -0.042 0.000 2.684 271 T HA -0.116 4.232 4.350 -0.003 0.000 0.267 271 T C 2.031 176.767 174.700 0.059 0.000 1.036 271 T CA 1.432 63.550 62.100 0.030 0.000 1.148 271 T CB -0.221 68.669 68.868 0.037 0.000 0.863 271 T HN 0.002 nan 8.240 nan 0.000 0.436 272 V N 1.169 121.113 119.914 0.050 0.000 2.295 272 V HA -0.225 3.893 4.120 -0.003 0.000 0.246 272 V C 2.386 178.547 176.094 0.110 0.000 1.049 272 V CA 1.772 64.105 62.300 0.056 0.000 1.024 272 V CB -0.727 31.100 31.823 0.006 0.000 0.648 272 V HN 0.634 nan 8.190 nan 0.000 0.447 273 H N 0.922 120.024 119.070 0.053 0.000 2.319 273 H HA -0.213 4.342 4.556 -0.003 0.000 0.299 273 H C 2.470 177.815 175.328 0.029 0.000 1.092 273 H CA 2.216 58.314 56.048 0.083 0.000 1.302 273 H CB 0.064 29.904 29.762 0.130 0.000 1.373 273 H HN 0.691 nan 8.280 nan 0.000 0.497 274 Q N -0.341 119.498 119.800 0.065 0.000 2.291 274 Q HA -0.064 4.274 4.340 -0.003 0.000 0.205 274 Q C 0.816 176.801 176.000 -0.026 0.000 0.970 274 Q CA 1.071 56.770 55.803 -0.174 0.000 0.876 274 Q CB 0.018 28.679 28.738 -0.128 0.000 0.935 274 Q HN 0.327 nan 8.270 nan 0.000 0.455 275 N N 0.415 119.135 118.700 0.033 0.000 2.235 275 N HA 0.065 4.803 4.740 -0.003 0.000 0.209 275 N C 0.297 175.849 175.510 0.071 0.000 1.122 275 N CA 0.720 53.812 53.050 0.069 0.000 0.845 275 N CB 1.133 39.660 38.487 0.066 0.000 1.004 275 N HN 0.436 nan 8.380 nan 0.000 0.499 276 S N -0.962 114.762 115.700 0.041 0.000 3.799 276 S HA 0.030 4.499 4.470 -0.003 0.000 0.170 276 S C 1.580 176.191 174.600 0.019 0.000 0.840 276 S CA 0.265 58.502 58.200 0.061 0.000 1.025 276 S CB -0.494 62.785 63.200 0.133 0.000 1.455 276 S HN -0.078 nan 8.310 nan 0.000 0.804 277 V N -1.719 118.149 119.914 -0.076 0.000 3.052 277 V HA 0.371 4.489 4.120 -0.003 0.000 0.254 277 V C 1.479 177.552 176.094 -0.034 0.000 1.100 277 V CA 1.124 63.394 62.300 -0.050 0.000 1.112 277 V CB -0.939 30.863 31.823 -0.035 0.000 0.738 277 V HN 0.695 nan 8.190 nan 0.000 0.469 278 F N -0.174 119.506 119.950 -0.450 0.000 2.555 278 F HA -0.309 4.218 4.527 0.001 0.000 0.693 278 F C 0.873 176.347 175.800 -0.544 0.000 0.487 278 F CA 2.377 60.061 58.000 -0.527 0.000 0.748 278 F CB -0.861 37.813 39.000 -0.544 0.000 1.624 278 F HN 0.469 nan 8.300 nan 0.000 0.266 279 H N -1.166 118.016 119.070 0.186 0.000 2.747 279 H HA 0.542 5.097 4.556 -0.001 0.000 0.371 279 H C -0.663 174.794 175.328 0.215 0.000 1.161 279 H CA -0.529 55.650 56.048 0.217 0.000 1.167 279 H CB 1.401 31.271 29.762 0.179 0.000 1.732 279 H HN 0.135 nan 8.280 nan 0.000 0.544 280 C N 2.237 121.767 119.300 0.383 0.000 2.351 280 C HA 0.297 4.755 4.460 -0.003 0.000 0.359 280 C C -1.821 173.301 174.990 0.220 0.000 1.193 280 C CA -1.230 57.958 59.018 0.284 0.000 2.270 280 C CB 0.740 28.642 27.740 0.270 0.000 2.369 280 C HN 0.597 nan 8.230 nan 0.000 0.553 281 P HA 0.107 nan 4.420 nan 0.000 0.266 281 P C 0.540 177.858 177.300 0.030 0.000 1.195 281 P CA 0.507 63.660 63.100 0.088 0.000 0.768 281 P CB 0.394 32.130 31.700 0.060 0.000 0.838 282 T N 1.148 115.695 114.554 -0.012 0.000 2.770 282 T HA -0.134 4.214 4.350 -0.003 0.000 0.263 282 T C 1.611 176.140 174.700 -0.286 0.000 1.039 282 T CA 1.417 63.439 62.100 -0.130 0.000 1.142 282 T CB -0.299 68.508 68.868 -0.103 0.000 0.868 282 T HN 0.495 nan 8.240 nan 0.000 0.435 283 Q N 1.097 120.791 119.800 -0.176 0.000 2.123 283 Q HA -0.047 4.291 4.340 -0.003 0.000 0.199 283 Q C 2.726 178.522 176.000 -0.341 0.000 0.966 283 Q CA 1.514 57.212 55.803 -0.173 0.000 0.845 283 Q CB -0.173 28.579 28.738 0.024 0.000 0.907 283 Q HN 0.618 nan 8.270 nan 0.000 0.439 284 S N 0.598 116.027 115.700 -0.452 0.000 2.382 284 S HA -0.224 4.244 4.470 -0.003 0.000 0.228 284 S C 1.869 176.176 174.600 -0.488 0.000 1.027 284 S CA 0.998 58.644 58.200 -0.923 0.000 0.991 284 S CB -0.287 62.486 63.200 -0.712 0.000 0.823 284 S HN 0.327 nan 8.310 nan 0.000 0.469 285 Q N 1.321 120.974 119.800 -0.246 0.000 2.096 285 Q HA -0.034 4.305 4.340 -0.003 0.000 0.204 285 Q C 2.649 178.602 176.000 -0.078 0.000 0.982 285 Q CA 1.486 57.252 55.803 -0.063 0.000 0.850 285 Q CB -0.597 28.159 28.738 0.031 0.000 0.901 285 Q HN 0.779 nan 8.270 nan 0.000 0.422 286 A N 1.198 123.802 122.820 -0.359 0.000 1.902 286 A HA -0.148 4.170 4.320 -0.003 0.000 0.217 286 A C 2.317 179.854 177.584 -0.078 0.000 1.181 286 A CA 1.646 53.568 52.037 -0.192 0.000 0.623 286 A CB -0.772 18.026 19.000 -0.337 0.000 0.818 286 A HN 0.408 nan 8.150 nan 0.000 0.443 287 A N -0.579 122.082 122.820 -0.265 0.000 1.902 287 A HA -0.012 4.306 4.320 -0.003 0.000 0.217 287 A C 2.223 179.736 177.584 -0.119 0.000 1.181 287 A CA 1.838 53.696 52.037 -0.297 0.000 0.623 287 A CB -0.930 17.559 19.000 -0.852 0.000 0.818 287 A HN 0.414 nan 8.150 nan 0.000 0.443 288 V N -0.167 119.731 119.914 -0.026 0.000 2.427 288 V HA -0.221 3.897 4.120 -0.003 0.000 0.248 288 V C 3.032 179.252 176.094 0.210 0.000 1.051 288 V CA 1.823 64.227 62.300 0.175 0.000 1.048 288 V CB -1.248 30.813 31.823 0.396 0.000 0.666 288 V HN 0.617 nan 8.190 nan 0.000 0.456 289 A N -0.157 122.792 122.820 0.216 0.000 1.877 289 A HA -0.287 4.031 4.320 -0.003 0.000 0.216 289 A C 2.295 179.967 177.584 0.146 0.000 1.186 289 A CA 2.058 54.234 52.037 0.232 0.000 0.620 289 A CB -0.538 18.607 19.000 0.242 0.000 0.822 289 A HN 0.622 nan 8.150 nan 0.000 0.443 290 E N -0.159 120.093 120.200 0.086 0.000 2.110 290 E HA -0.143 4.205 4.350 -0.003 0.000 0.193 290 E C 2.083 178.680 176.600 -0.006 0.000 0.988 290 E CA 1.344 57.773 56.400 0.048 0.000 0.804 290 E CB -0.080 29.660 29.700 0.068 0.000 0.745 290 E HN 0.560 nan 8.360 nan 0.000 0.458 291 S N -0.090 115.548 115.700 -0.104 0.000 2.368 291 S HA -0.096 4.372 4.470 -0.003 0.000 0.224 291 S C 1.512 175.980 174.600 -0.220 0.000 1.029 291 S CA 0.893 58.919 58.200 -0.289 0.000 0.988 291 S CB -0.325 62.210 63.200 -1.108 0.000 0.838 291 S HN 0.275 nan 8.310 nan 0.000 0.462 292 F N 1.985 121.931 119.950 -0.006 0.000 2.171 292 F HA -0.038 4.489 4.527 -0.000 0.000 0.300 292 F C 2.348 177.993 175.800 -0.259 0.000 1.090 292 F CA 0.834 58.828 58.000 -0.010 0.000 1.293 292 F CB -0.554 38.474 39.000 0.047 0.000 1.013 292 F HN 0.239 nan 8.300 nan 0.000 0.486 293 E N -0.482 119.720 120.200 0.003 0.000 2.077 293 E HA -0.228 4.120 4.350 -0.003 0.000 0.193 293 E C 2.428 178.926 176.600 -0.171 0.000 0.989 293 E CA 0.771 57.120 56.400 -0.087 0.000 0.800 293 E CB -0.194 29.484 29.700 -0.037 0.000 0.746 293 E HN 0.126 nan 8.360 nan 0.000 0.452 294 R N 1.084 121.458 120.500 -0.211 0.000 2.083 294 R HA -0.176 4.162 4.340 -0.003 0.000 0.237 294 R C 1.861 177.905 176.300 -0.427 0.000 1.137 294 R CA 1.423 57.315 56.100 -0.346 0.000 0.951 294 R CB -0.109 29.868 30.300 -0.538 0.000 0.851 294 R HN 0.157 nan 8.270 nan 0.000 0.434 295 E N 0.489 120.396 120.200 -0.488 0.000 2.107 295 E HA -0.185 4.163 4.350 -0.003 0.000 0.191 295 E C 1.882 178.243 176.600 -0.399 0.000 0.982 295 E CA 0.712 56.780 56.400 -0.552 0.000 0.809 295 E CB -0.157 29.031 29.700 -0.854 0.000 0.756 295 E HN 0.464 nan 8.360 nan 0.000 0.459 296 Q N 0.526 120.016 119.800 -0.517 0.000 2.084 296 Q HA -0.132 4.206 4.340 -0.003 0.000 0.202 296 Q C 2.361 178.301 176.000 -0.101 0.000 0.978 296 Q CA 0.978 56.520 55.803 -0.436 0.000 0.844 296 Q CB -0.066 28.393 28.738 -0.465 0.000 0.898 296 Q HN 0.241 nan 8.270 nan 0.000 0.426 297 L N 0.177 121.324 121.223 -0.127 0.000 2.131 297 L HA -0.163 4.175 4.340 -0.003 0.000 0.210 297 L C 1.774 178.629 176.870 -0.026 0.000 1.092 297 L CA 0.791 55.593 54.840 -0.063 0.000 0.759 297 L CB -0.044 41.960 42.059 -0.092 0.000 0.903 297 L HN 0.292 nan 8.230 nan 0.000 0.435 298 L N -1.286 119.902 121.223 -0.057 0.000 2.700 298 L HA 0.121 4.459 4.340 -0.003 0.000 0.234 298 L C 0.283 177.190 176.870 0.062 0.000 1.156 298 L CA -0.694 54.125 54.840 -0.035 0.000 0.946 298 L CB -0.045 41.939 42.059 -0.126 0.000 1.216 298 L HN 0.019 nan 8.230 nan 0.000 0.493 299 F N 2.039 121.979 119.950 -0.017 0.000 2.612 299 F HA -0.021 4.505 4.527 -0.001 0.000 0.389 299 F C 1.455 177.321 175.800 0.110 0.000 1.055 299 F CA 0.194 58.252 58.000 0.097 0.000 1.232 299 F CB -0.001 39.133 39.000 0.223 0.000 1.044 299 F HN 0.165 nan 8.300 nan 0.000 0.560 300 R N 1.343 121.581 120.500 -0.437 0.000 3.977 300 R HA -0.254 4.085 4.340 -0.003 0.000 0.428 300 R C -0.057 176.168 176.300 -0.125 0.000 1.079 300 R CA 1.276 57.155 56.100 -0.368 0.000 1.269 300 R CB -1.540 28.466 30.300 -0.490 0.000 1.856 300 R HN 0.745 nan 8.270 nan 0.000 0.551 301 Q N 0.320 120.084 119.800 -0.059 0.000 2.260 301 Q HA 0.157 4.495 4.340 -0.003 0.000 0.242 301 Q C -1.665 174.330 176.000 -0.008 0.000 0.932 301 Q CA -1.896 53.892 55.803 -0.024 0.000 0.891 301 Q CB 0.786 29.515 28.738 -0.014 0.000 1.222 301 Q HN -0.121 nan 8.270 nan 0.000 0.453 302 P HA -0.147 nan 4.420 nan 0.000 0.222 302 P C 0.889 178.205 177.300 0.026 0.000 1.147 302 P CA 1.174 64.284 63.100 0.017 0.000 0.790 302 P CB 0.219 31.929 31.700 0.016 0.000 0.780 303 S N -1.936 113.771 115.700 0.013 0.000 2.558 303 S HA 0.061 4.529 4.470 -0.003 0.000 0.217 303 S C 0.952 175.559 174.600 0.011 0.000 0.975 303 S CA -0.295 57.915 58.200 0.017 0.000 0.912 303 S CB -1.070 62.129 63.200 -0.001 0.000 0.776 303 S HN 0.180 nan 8.310 nan 0.000 0.526 304 S N 0.748 116.445 115.700 -0.005 0.000 2.576 304 S HA 0.242 4.710 4.470 -0.003 0.000 0.276 304 S C 0.575 175.215 174.600 0.067 0.000 1.339 304 S CA -0.609 57.566 58.200 -0.041 0.000 1.039 304 S CB 0.169 63.336 63.200 -0.055 0.000 0.902 304 S HN 0.316 nan 8.310 nan 0.000 0.516 305 Y N 2.538 122.776 120.300 -0.103 0.000 2.224 305 Y HA -0.065 4.483 4.550 -0.003 0.000 0.289 305 Y C 1.390 177.455 175.900 0.274 0.000 1.146 305 Y CA 1.365 59.527 58.100 0.104 0.000 1.182 305 Y CB -0.394 38.167 38.460 0.169 0.000 0.983 305 Y HN 0.752 nan 8.280 nan 0.000 0.524 306 F N -1.653 118.366 119.950 0.115 0.000 2.604 306 F HA -0.075 4.449 4.527 -0.004 0.000 0.298 306 F C 2.120 178.000 175.800 0.134 0.000 1.131 306 F CA 0.318 58.348 58.000 0.049 0.000 1.457 306 F CB -1.131 37.757 39.000 -0.185 0.000 1.095 306 F HN -0.053 nan 8.300 nan 0.000 0.574 307 V N -1.030 119.036 119.914 0.253 0.000 2.581 307 V HA -0.117 4.002 4.120 -0.003 0.000 0.240 307 V C 2.158 178.336 176.094 0.141 0.000 1.054 307 V CA 0.994 63.399 62.300 0.175 0.000 1.076 307 V CB -0.432 31.454 31.823 0.104 0.000 0.748 307 V HN 0.150 nan 8.190 nan 0.000 0.474 308 Q N -0.827 119.047 119.800 0.123 0.000 2.079 308 Q HA -0.183 4.155 4.340 -0.003 0.000 0.200 308 Q C 2.147 178.210 176.000 0.105 0.000 0.974 308 Q CA 2.007 57.875 55.803 0.108 0.000 0.840 308 Q CB -0.203 28.613 28.738 0.130 0.000 0.898 308 Q HN 0.589 nan 8.270 nan 0.000 0.430 309 F N 2.043 121.899 119.950 -0.156 0.000 2.084 309 F HA -0.083 4.442 4.527 -0.003 0.000 0.296 309 F C -0.990 174.823 175.800 0.021 0.000 1.111 309 F CA 0.777 58.642 58.000 -0.226 0.000 1.224 309 F CB -1.100 37.435 39.000 -0.774 0.000 0.991 309 F HN 0.027 nan 8.300 nan 0.000 0.471 310 P HA -0.190 nan 4.420 nan 0.000 0.218 310 P C 1.381 178.770 177.300 0.148 0.000 1.149 310 P CA 1.697 64.871 63.100 0.123 0.000 0.817 310 P CB -0.258 31.558 31.700 0.194 0.000 0.785 311 Q N -0.408 119.446 119.800 0.090 0.000 2.084 311 Q HA -0.121 4.217 4.340 -0.003 0.000 0.202 311 Q C 2.317 178.306 176.000 -0.018 0.000 0.978 311 Q CA 1.782 57.620 55.803 0.057 0.000 0.844 311 Q CB -0.634 28.138 28.738 0.057 0.000 0.898 311 Q HN 0.189 nan 8.270 nan 0.000 0.426 312 A N 0.641 123.427 122.820 -0.057 0.000 1.898 312 A HA -0.164 4.155 4.320 -0.003 0.000 0.216 312 A C 1.999 179.487 177.584 -0.160 0.000 1.181 312 A CA 1.252 53.229 52.037 -0.099 0.000 0.620 312 A CB -0.309 18.640 19.000 -0.086 0.000 0.819 312 A HN 0.242 nan 8.150 nan 0.000 0.442 313 M N -0.635 118.820 119.600 -0.242 0.000 2.319 313 M HA -0.107 4.371 4.480 -0.003 0.000 0.265 313 M C 2.166 178.299 176.300 -0.277 0.000 1.068 313 M CA 1.403 56.595 55.300 -0.180 0.000 1.118 313 M CB -1.291 31.205 32.600 -0.174 0.000 1.395 313 M HN 0.701 nan 8.290 nan 0.000 0.435 314 Q N 0.600 120.208 119.800 -0.319 0.000 2.124 314 Q HA -0.155 4.183 4.340 -0.003 0.000 0.202 314 Q C 2.069 177.837 176.000 -0.386 0.000 0.977 314 Q CA 1.456 56.937 55.803 -0.535 0.000 0.850 314 Q CB 0.122 28.731 28.738 -0.215 0.000 0.901 314 Q HN 0.456 nan 8.270 nan 0.000 0.429 315 R N -0.653 119.716 120.500 -0.218 0.000 2.096 315 R HA -0.117 4.221 4.340 -0.003 0.000 0.235 315 R C 2.475 178.693 176.300 -0.137 0.000 1.127 315 R CA 1.422 57.435 56.100 -0.145 0.000 0.968 315 R CB -0.403 29.849 30.300 -0.080 0.000 0.861 315 R HN 0.368 nan 8.270 nan 0.000 0.440 316 C N 0.196 119.405 119.300 -0.152 0.000 2.446 316 C HA -0.027 4.431 4.460 -0.003 0.000 0.277 316 C C 2.703 177.534 174.990 -0.266 0.000 1.275 316 C CA 0.274 59.231 59.018 -0.101 0.000 1.727 316 C CB -0.874 26.876 27.740 0.017 0.000 2.010 316 C HN 0.487 nan 8.230 nan 0.000 0.486 317 R N 1.247 121.327 120.500 -0.699 0.000 2.083 317 R HA -0.172 4.167 4.340 -0.003 0.000 0.237 317 R C 1.612 177.587 176.300 -0.542 0.000 1.137 317 R CA 2.248 57.637 56.100 -1.185 0.000 0.951 317 R CB -0.479 28.814 30.300 -1.677 0.000 0.851 317 R HN 0.457 nan 8.270 nan 0.000 0.434 318 D N -0.857 119.318 120.400 -0.376 0.000 2.117 318 D HA -0.172 4.466 4.640 -0.003 0.000 0.197 318 D C 1.743 177.988 176.300 -0.091 0.000 0.987 318 D CA 1.373 55.248 54.000 -0.209 0.000 0.829 318 D CB -0.489 40.211 40.800 -0.167 0.000 0.961 318 D HN 0.536 nan 8.370 nan 0.000 0.460 319 H N -0.179 118.785 119.070 -0.176 0.000 2.319 319 H HA -0.088 4.466 4.556 -0.003 0.000 0.299 319 H C 2.236 177.495 175.328 -0.115 0.000 1.092 319 H CA 1.416 57.394 56.048 -0.118 0.000 1.302 319 H CB 0.009 29.717 29.762 -0.090 0.000 1.373 319 H HN 0.022 nan 8.280 nan 0.000 0.497 320 M N 0.160 119.764 119.600 0.007 0.000 2.175 320 M HA -0.115 4.363 4.480 -0.003 0.000 0.264 320 M C 2.042 178.288 176.300 -0.090 0.000 1.063 320 M CA 1.409 56.666 55.300 -0.072 0.000 1.119 320 M CB 0.033 32.583 32.600 -0.083 0.000 1.377 320 M HN 0.369 nan 8.290 nan 0.000 0.415 321 I N -0.265 120.241 120.570 -0.107 0.000 2.163 321 I HA -0.350 3.818 4.170 -0.003 0.000 0.243 321 I C 2.658 178.736 176.117 -0.064 0.000 1.085 321 I CA 1.503 62.748 61.300 -0.092 0.000 1.347 321 I CB -0.512 37.425 38.000 -0.104 0.000 1.044 321 I HN 0.367 nan 8.210 nan 0.000 0.408 322 R N 0.502 120.973 120.500 -0.048 0.000 2.066 322 R HA -0.147 4.191 4.340 -0.003 0.000 0.232 322 R C 2.435 178.716 176.300 -0.032 0.000 1.131 322 R CA 1.922 57.997 56.100 -0.041 0.000 0.955 322 R CB -0.121 30.148 30.300 -0.051 0.000 0.851 322 R HN 0.200 nan 8.270 nan 0.000 0.432 323 S N 1.006 116.707 115.700 0.001 0.000 2.356 323 S HA -0.084 4.384 4.470 -0.003 0.000 0.223 323 S C 1.874 176.436 174.600 -0.064 0.000 1.032 323 S CA 1.201 59.402 58.200 0.002 0.000 1.005 323 S CB -0.179 63.066 63.200 0.076 0.000 0.867 323 S HN 0.296 nan 8.310 nan 0.000 0.449 324 L N 1.297 122.451 121.223 -0.115 0.000 2.191 324 L HA -0.132 4.206 4.340 -0.003 0.000 0.212 324 L C 2.560 179.358 176.870 -0.120 0.000 1.103 324 L CA 1.017 55.753 54.840 -0.173 0.000 0.769 324 L CB -0.537 41.349 42.059 -0.287 0.000 0.908 324 L HN 0.372 nan 8.230 nan 0.000 0.438 325 Q N -0.338 119.415 119.800 -0.078 0.000 2.291 325 Q HA -0.161 4.177 4.340 -0.003 0.000 0.205 325 Q C 2.372 178.330 176.000 -0.069 0.000 0.970 325 Q CA 1.561 57.332 55.803 -0.053 0.000 0.876 325 Q CB -0.088 28.628 28.738 -0.037 0.000 0.935 325 Q HN 0.620 nan 8.270 nan 0.000 0.455 326 S N -0.035 115.615 115.700 -0.083 0.000 2.442 326 S HA -0.092 4.376 4.470 -0.003 0.000 0.236 326 S C 1.770 176.293 174.600 -0.129 0.000 1.007 326 S CA 1.112 59.263 58.200 -0.082 0.000 0.965 326 S CB -0.244 62.920 63.200 -0.060 0.000 0.773 326 S HN 0.328 nan 8.310 nan 0.000 0.504 327 V N -3.159 116.625 119.914 -0.217 0.000 3.483 327 V HA 0.743 4.861 4.120 -0.003 0.000 0.301 327 V C 1.325 177.331 176.094 -0.145 0.000 1.389 327 V CA 0.073 62.156 62.300 -0.362 0.000 1.101 327 V CB -0.688 30.516 31.823 -1.032 0.000 0.971 327 V HN 0.738 nan 8.190 nan 0.000 0.434 328 G N 0.752 109.512 108.800 -0.066 0.000 2.157 328 G HA2 -0.211 3.747 3.960 -0.003 0.000 0.239 328 G HA3 -0.211 3.747 3.960 -0.003 0.000 0.239 328 G C -0.089 174.898 174.900 0.145 0.000 0.982 328 G CA 0.144 45.233 45.100 -0.019 0.000 0.650 328 G HN 0.558 nan 8.290 nan 0.000 0.527 329 L N 0.649 121.987 121.223 0.192 0.000 2.426 329 L HA 0.413 4.751 4.340 -0.003 0.000 0.271 329 L C 0.412 177.354 176.870 0.121 0.000 1.169 329 L CA -0.123 54.850 54.840 0.222 0.000 0.836 329 L CB 0.626 42.773 42.059 0.148 0.000 1.112 329 L HN -0.116 nan 8.230 nan 0.000 0.465 330 K N 3.455 123.945 120.400 0.150 0.000 2.478 330 K HA 0.381 4.699 4.320 -0.003 0.000 0.236 330 K C -2.481 174.215 176.600 0.160 0.000 1.021 330 K CA -1.913 54.449 56.287 0.124 0.000 1.010 330 K CB 1.221 33.793 32.500 0.121 0.000 1.331 330 K HN 0.168 nan 8.250 nan 0.000 0.470 331 P HA 0.120 nan 4.420 nan 0.000 0.269 331 P C -0.270 177.115 177.300 0.141 0.000 1.209 331 P CA -0.303 62.870 63.100 0.123 0.000 0.776 331 P CB 0.473 32.202 31.700 0.047 0.000 0.876 332 I N 3.251 123.912 120.570 0.151 0.000 2.321 332 I HA 0.220 4.388 4.170 -0.003 0.000 0.291 332 I C 0.365 176.511 176.117 0.048 0.000 0.998 332 I CA -0.212 61.162 61.300 0.123 0.000 1.227 332 I CB 0.395 38.461 38.000 0.109 0.000 1.368 332 I HN 0.191 nan 8.210 nan 0.000 0.466 333 I N 9.301 129.891 120.570 0.034 0.000 2.517 333 I HA 0.176 4.344 4.170 -0.003 0.000 0.285 333 I C -1.980 174.127 176.117 -0.017 0.000 1.106 333 I CA -1.418 59.881 61.300 -0.003 0.000 1.402 333 I CB 0.276 38.272 38.000 -0.007 0.000 1.399 333 I HN 0.339 nan 8.210 nan 0.000 0.535 334 P HA 0.216 nan 4.420 nan 0.000 0.286 334 P C -0.769 176.575 177.300 0.074 0.000 1.261 334 P CA -0.542 62.579 63.100 0.036 0.000 0.821 334 P CB 1.521 33.318 31.700 0.161 0.000 1.013 335 Q N 0.440 120.232 119.800 -0.013 0.000 2.356 335 Q HA 0.381 4.719 4.340 -0.003 0.000 0.205 335 Q C 0.903 176.897 176.000 -0.011 0.000 0.901 335 Q CA 0.446 56.196 55.803 -0.089 0.000 0.938 335 Q CB 0.314 28.730 28.738 -0.536 0.000 1.081 335 Q HN 0.753 nan 8.270 nan 0.000 0.517 336 G N -1.388 107.443 108.800 0.051 0.000 2.548 336 G HA2 0.515 4.473 3.960 -0.003 0.000 0.301 336 G HA3 0.515 4.473 3.960 -0.003 0.000 0.301 336 G C -1.134 173.787 174.900 0.036 0.000 1.349 336 G CA -0.129 44.879 45.100 -0.152 0.000 0.792 336 G HN 0.514 nan 8.290 nan 0.000 0.481 337 S N -2.321 113.309 115.700 -0.116 0.000 3.976 337 S HA -0.225 4.243 4.470 -0.003 0.000 0.652 337 S C 0.333 174.756 174.600 -0.293 0.000 1.522 337 S CA 0.622 58.555 58.200 -0.445 0.000 1.667 337 S CB -1.105 61.780 63.200 -0.525 0.000 0.332 337 S HN 1.697 nan 8.310 nan 0.000 1.594 338 Y N 0.705 120.339 120.300 -1.111 0.000 2.583 338 Y HA 0.402 4.951 4.550 -0.002 0.000 0.293 338 Y C 0.912 175.737 175.900 -1.791 0.000 1.157 338 Y CA -0.416 56.834 58.100 -1.417 0.000 1.315 338 Y CB -0.629 36.817 38.460 -1.691 0.000 1.021 338 Y HN 0.475 nan 8.280 nan 0.000 0.536 339 F N -0.026 119.687 119.950 -0.396 0.000 2.561 339 F HA 0.583 5.108 4.527 -0.004 0.000 0.321 339 F C -0.357 175.564 175.800 0.201 0.000 1.065 339 F CA -1.887 56.019 58.000 -0.157 0.000 0.934 339 F CB 1.505 40.424 39.000 -0.135 0.000 1.215 339 F HN -0.340 nan 8.300 nan 0.000 0.471 340 L N 1.387 122.899 121.223 0.483 0.000 2.350 340 L HA 0.863 5.201 4.340 -0.003 0.000 0.260 340 L C -0.849 176.202 176.870 0.302 0.000 1.015 340 L CA -1.203 53.847 54.840 0.349 0.000 0.821 340 L CB 1.841 44.093 42.059 0.323 0.000 1.370 340 L HN 0.617 nan 8.230 nan 0.000 0.416 341 I N -0.877 119.803 120.570 0.183 0.000 2.562 341 I HA 0.900 5.068 4.170 -0.003 0.000 0.301 341 I C -0.301 176.002 176.117 0.310 0.000 1.003 341 I CA -0.414 61.020 61.300 0.223 0.000 1.127 341 I CB 2.186 40.220 38.000 0.057 0.000 1.304 341 I HN 0.844 nan 8.210 nan 0.000 0.446 342 T N 0.072 114.877 114.554 0.419 0.000 2.829 342 T HA 0.314 4.662 4.350 -0.003 0.000 0.280 342 T C -0.456 174.493 174.700 0.415 0.000 0.999 342 T CA -0.695 61.638 62.100 0.387 0.000 0.983 342 T CB 1.590 70.684 68.868 0.376 0.000 0.968 342 T HN 0.666 nan 8.240 nan 0.000 0.446 343 D N 2.067 122.693 120.400 0.378 0.000 2.383 343 D HA 0.103 4.741 4.640 -0.003 0.000 0.252 343 D C 1.004 177.384 176.300 0.133 0.000 1.166 343 D CA -0.788 53.332 54.000 0.200 0.000 0.879 343 D CB 0.466 41.403 40.800 0.229 0.000 1.164 343 D HN 0.715 nan 8.370 nan 0.000 0.462 344 I N 0.741 121.334 120.570 0.037 0.000 3.914 344 I HA 0.104 4.272 4.170 -0.003 0.000 0.333 344 I C 1.373 177.507 176.117 0.028 0.000 1.449 344 I CA -0.412 60.906 61.300 0.030 0.000 1.135 344 I CB 0.090 37.886 38.000 -0.340 0.000 1.073 344 I HN 0.156 nan 8.210 nan 0.000 0.401 345 S N 0.399 116.073 115.700 -0.043 0.000 2.400 345 S HA -0.207 4.261 4.470 -0.003 0.000 0.232 345 S C 1.383 175.883 174.600 -0.167 0.000 1.025 345 S CA 1.541 59.626 58.200 -0.192 0.000 0.993 345 S CB -0.511 62.499 63.200 -0.316 0.000 0.808 345 S HN 0.519 nan 8.310 nan 0.000 0.478 346 D N 1.036 121.370 120.400 -0.109 0.000 2.144 346 D HA 0.026 4.664 4.640 -0.003 0.000 0.200 346 D C 1.515 177.682 176.300 -0.221 0.000 0.978 346 D CA 0.909 54.795 54.000 -0.189 0.000 0.833 346 D CB -0.436 40.219 40.800 -0.242 0.000 0.961 346 D HN 0.482 nan 8.370 nan 0.000 0.470 347 F N 1.301 121.209 119.950 -0.071 0.000 2.146 347 F HA -0.047 4.478 4.527 -0.003 0.000 0.298 347 F C 2.432 178.153 175.800 -0.132 0.000 1.096 347 F CA 0.815 58.818 58.000 0.006 0.000 1.275 347 F CB -0.209 38.866 39.000 0.125 0.000 1.008 347 F HN -0.162 nan 8.300 nan 0.000 0.480 348 K N 0.611 120.877 120.400 -0.223 0.000 2.063 348 K HA -0.235 4.083 4.320 -0.003 0.000 0.208 348 K C 2.413 178.746 176.600 -0.445 0.000 1.048 348 K CA 1.481 57.262 56.287 -0.843 0.000 0.928 348 K CB -0.132 31.816 32.500 -0.921 0.000 0.713 348 K HN 0.118 nan 8.250 nan 0.000 0.442 349 R N 0.740 121.070 120.500 -0.283 0.000 2.066 349 R HA -0.106 4.232 4.340 -0.003 0.000 0.232 349 R C 1.780 177.996 176.300 -0.141 0.000 1.131 349 R CA 1.795 57.774 56.100 -0.202 0.000 0.955 349 R CB 0.048 30.240 30.300 -0.181 0.000 0.851 349 R HN 0.096 nan 8.270 nan 0.000 0.432 350 K N -0.691 119.638 120.400 -0.117 0.000 2.314 350 K HA 0.038 4.356 4.320 -0.003 0.000 0.198 350 K C 0.890 177.474 176.600 -0.027 0.000 1.045 350 K CA 0.559 56.801 56.287 -0.075 0.000 0.988 350 K CB 0.349 32.793 32.500 -0.093 0.000 0.783 350 K HN 0.179 nan 8.250 nan 0.000 0.484 351 M N 1.873 121.474 119.600 0.002 0.000 2.952 351 M HA 0.164 4.643 4.480 -0.003 0.000 0.259 351 M C -2.323 174.023 176.300 0.077 0.000 1.306 351 M CA -1.698 53.629 55.300 0.044 0.000 0.626 351 M CB 1.118 33.768 32.600 0.083 0.000 1.423 351 M HN -0.192 nan 8.290 nan 0.000 0.459 352 P HA 0.007 nan 4.420 nan 0.000 0.229 352 P C -0.133 177.246 177.300 0.132 0.000 1.160 352 P CA 0.964 64.067 63.100 0.005 0.000 0.777 352 P CB 0.200 31.861 31.700 -0.065 0.000 0.814 353 D N 0.190 120.637 120.400 0.077 0.000 2.561 353 D HA 0.181 4.819 4.640 -0.003 0.000 0.232 353 D C 0.597 176.914 176.300 0.029 0.000 1.198 353 D CA -0.143 53.887 54.000 0.049 0.000 0.826 353 D CB -0.137 40.674 40.800 0.019 0.000 0.992 353 D HN 0.225 nan 8.370 nan 0.000 0.490 354 L N 2.155 123.398 121.223 0.033 0.000 2.485 354 L HA 0.106 4.444 4.340 -0.003 0.000 0.275 354 L C -1.616 175.240 176.870 -0.024 0.000 1.207 354 L CA -1.240 53.569 54.840 -0.053 0.000 0.855 354 L CB -0.197 41.760 42.059 -0.170 0.000 1.114 354 L HN -0.145 nan 8.230 nan 0.000 0.485 355 P HA 0.255 nan 4.420 nan 0.000 0.268 355 P C -0.158 177.131 177.300 -0.017 0.000 1.205 355 P CA 0.006 63.101 63.100 -0.008 0.000 0.771 355 P CB 1.028 32.730 31.700 0.004 0.000 0.858 356 G N -0.127 108.667 108.800 -0.011 0.000 2.328 356 G HA2 0.495 4.453 3.960 -0.003 0.000 0.295 356 G HA3 0.495 4.453 3.960 -0.003 0.000 0.295 356 G C -1.345 173.549 174.900 -0.011 0.000 1.413 356 G CA -0.227 44.865 45.100 -0.014 0.000 0.817 356 G HN 0.533 nan 8.290 nan 0.000 0.546 357 A N -0.601 122.210 122.820 -0.016 0.000 2.429 357 A HA 0.558 4.876 4.320 -0.003 0.000 0.242 357 A C 1.931 179.505 177.584 -0.016 0.000 1.088 357 A CA 0.629 52.654 52.037 -0.020 0.000 0.784 357 A CB 0.777 19.758 19.000 -0.032 0.000 1.038 357 A HN 2.022 nan 8.150 nan 0.000 0.501 358 V N 0.558 120.461 119.914 -0.017 0.000 2.324 358 V HA -0.197 3.922 4.120 -0.003 0.000 0.250 358 V C 1.680 177.765 176.094 -0.015 0.000 1.060 358 V CA 3.019 65.310 62.300 -0.014 0.000 1.042 358 V CB -0.689 31.124 31.823 -0.015 0.000 0.650 358 V HN 1.026 nan 8.190 nan 0.000 0.450 359 D N -0.834 119.552 120.400 -0.023 0.000 2.340 359 D HA 0.009 4.647 4.640 -0.003 0.000 0.217 359 D C 0.853 177.140 176.300 -0.022 0.000 1.081 359 D CA -0.189 53.796 54.000 -0.025 0.000 0.842 359 D CB -0.315 40.464 40.800 -0.034 0.000 0.934 359 D HN 0.668 nan 8.370 nan 0.000 0.511 360 E N 1.675 121.865 120.200 -0.016 0.000 2.351 360 E HA 0.146 4.494 4.350 -0.003 0.000 0.266 360 E C -2.173 174.435 176.600 0.012 0.000 1.031 360 E CA -1.815 54.578 56.400 -0.011 0.000 0.911 360 E CB 0.624 30.316 29.700 -0.014 0.000 0.986 360 E HN -0.010 nan 8.360 nan 0.000 0.446 361 P HA -0.118 nan 4.420 nan 0.000 0.265 361 P C -0.327 177.021 177.300 0.079 0.000 1.187 361 P CA 0.335 63.466 63.100 0.052 0.000 0.766 361 P CB 0.309 32.037 31.700 0.046 0.000 0.820 362 Y N 3.987 124.295 120.300 0.013 0.000 2.151 362 Y HA -0.336 4.212 4.550 -0.003 0.000 0.284 362 Y C 1.955 177.901 175.900 0.076 0.000 1.166 362 Y CA 2.544 60.663 58.100 0.033 0.000 1.163 362 Y CB -0.428 38.040 38.460 0.013 0.000 0.974 362 Y HN 0.439 nan 8.280 nan 0.000 0.511 363 D N -0.438 120.028 120.400 0.109 0.000 2.149 363 D HA -0.221 4.417 4.640 -0.003 0.000 0.198 363 D C 1.986 178.285 176.300 -0.001 0.000 0.990 363 D CA 1.696 55.734 54.000 0.064 0.000 0.839 363 D CB -0.781 40.078 40.800 0.098 0.000 0.948 363 D HN 0.377 nan 8.370 nan 0.000 0.460 364 R N 0.079 120.567 120.500 -0.020 0.000 2.081 364 R HA 0.041 4.379 4.340 -0.003 0.000 0.235 364 R C 2.715 178.980 176.300 -0.060 0.000 1.131 364 R CA 1.314 57.396 56.100 -0.030 0.000 0.960 364 R CB -0.152 30.159 30.300 0.017 0.000 0.856 364 R HN 0.236 nan 8.270 nan 0.000 0.436 365 R N -0.526 119.906 120.500 -0.114 0.000 2.075 365 R HA -0.115 4.223 4.340 -0.003 0.000 0.232 365 R C 2.117 178.307 176.300 -0.184 0.000 1.126 365 R CA 1.353 57.359 56.100 -0.157 0.000 0.963 365 R CB -0.375 29.797 30.300 -0.214 0.000 0.858 365 R HN 0.184 nan 8.270 nan 0.000 0.435 366 F N 1.171 120.858 119.950 -0.438 0.000 2.134 366 F HA -0.185 4.340 4.527 -0.003 0.000 0.299 366 F C 2.062 177.832 175.800 -0.050 0.000 1.097 366 F CA 1.187 59.000 58.000 -0.311 0.000 1.264 366 F CB -0.122 38.653 39.000 -0.375 0.000 1.001 366 F HN -0.283 nan 8.300 nan 0.000 0.479 367 V N 0.747 120.672 119.914 0.018 0.000 2.343 367 V HA -0.318 3.801 4.120 -0.003 0.000 0.247 367 V C 2.352 178.341 176.094 -0.174 0.000 1.051 367 V CA 2.175 64.420 62.300 -0.092 0.000 1.036 367 V CB -0.661 31.072 31.823 -0.151 0.000 0.654 367 V HN 0.285 nan 8.190 nan 0.000 0.451 368 K N -1.278 119.043 120.400 -0.131 0.000 2.057 368 K HA -0.259 4.059 4.320 -0.003 0.000 0.207 368 K C 1.967 178.462 176.600 -0.175 0.000 1.049 368 K CA 2.087 58.294 56.287 -0.134 0.000 0.931 368 K CB -0.334 32.124 32.500 -0.071 0.000 0.714 368 K HN 0.656 nan 8.250 nan 0.000 0.440 369 W N 1.604 122.682 121.300 -0.371 0.000 2.358 369 W HA -0.166 4.492 4.660 -0.003 0.000 0.303 369 W C 2.073 178.274 176.519 -0.530 0.000 1.208 369 W CA 1.339 58.432 57.345 -0.421 0.000 1.274 369 W CB -0.108 29.086 29.460 -0.443 0.000 1.138 369 W HN -0.042 nan 8.180 nan 0.000 0.515 370 M N -0.025 119.222 119.600 -0.589 0.000 2.175 370 M HA -0.160 4.318 4.480 -0.003 0.000 0.264 370 M C 1.918 177.847 176.300 -0.618 0.000 1.063 370 M CA 1.938 56.734 55.300 -0.840 0.000 1.119 370 M CB -0.377 31.891 32.600 -0.554 0.000 1.377 370 M HN 0.098 nan 8.290 nan 0.000 0.415 371 I N 0.279 120.588 120.570 -0.435 0.000 2.142 371 I HA -0.332 3.836 4.170 -0.003 0.000 0.240 371 I C 2.234 178.066 176.117 -0.474 0.000 1.078 371 I CA 1.506 62.587 61.300 -0.365 0.000 1.343 371 I CB -0.402 37.419 38.000 -0.299 0.000 1.046 371 I HN 0.267 nan 8.210 nan 0.000 0.405 372 K N 0.314 120.366 120.400 -0.581 0.000 2.097 372 K HA -0.079 4.239 4.320 -0.003 0.000 0.205 372 K C 1.624 177.957 176.600 -0.446 0.000 1.050 372 K CA 1.174 57.102 56.287 -0.599 0.000 0.938 372 K CB -0.066 32.143 32.500 -0.484 0.000 0.718 372 K HN 0.369 nan 8.250 nan 0.000 0.442 373 N N -0.317 118.005 118.700 -0.629 0.000 2.407 373 N HA 0.021 4.759 4.740 -0.003 0.000 0.182 373 N C 1.099 176.203 175.510 -0.677 0.000 1.079 373 N CA 0.518 53.168 53.050 -0.667 0.000 0.882 373 N CB 0.572 38.482 38.487 -0.962 0.000 1.106 373 N HN 0.004 nan 8.380 nan 0.000 0.461 374 K N 0.046 119.970 120.400 -0.793 0.000 2.360 374 K HA 0.237 4.555 4.320 -0.003 0.000 0.196 374 K C 0.770 177.175 176.600 -0.325 0.000 1.049 374 K CA 0.227 56.113 56.287 -0.669 0.000 1.049 374 K CB 0.724 32.550 32.500 -1.124 0.000 0.881 374 K HN 0.174 nan 8.250 nan 0.000 0.542 375 G N 1.975 110.603 108.800 -0.286 0.000 2.160 375 G HA2 -0.246 3.712 3.960 -0.003 0.000 0.244 375 G HA3 -0.246 3.712 3.960 -0.003 0.000 0.244 375 G C -0.262 174.602 174.900 -0.061 0.000 1.022 375 G CA 0.148 45.167 45.100 -0.135 0.000 0.741 375 G HN 0.188 nan 8.290 nan 0.000 0.508 376 L N -0.217 120.961 121.223 -0.076 0.000 2.385 376 L HA 0.675 5.013 4.340 -0.003 0.000 0.273 376 L C 0.150 177.019 176.870 -0.003 0.000 0.990 376 L CA -1.344 53.524 54.840 0.047 0.000 0.821 376 L CB 2.399 44.583 42.059 0.208 0.000 1.279 376 L HN -0.058 nan 8.230 nan 0.000 0.412 377 V N 2.223 122.148 119.914 0.019 0.000 2.427 377 V HA 0.852 4.970 4.120 -0.003 0.000 0.286 377 V C 0.193 176.208 176.094 -0.132 0.000 1.034 377 V CA -0.290 61.976 62.300 -0.057 0.000 0.893 377 V CB 1.274 33.081 31.823 -0.028 0.000 0.982 377 V HN 0.899 nan 8.190 nan 0.000 0.452 378 A N 5.307 127.958 122.820 -0.283 0.000 2.530 378 A HA 0.932 5.250 4.320 -0.003 0.000 0.288 378 A C -1.309 176.050 177.584 -0.375 0.000 1.172 378 A CA -0.672 51.069 52.037 -0.494 0.000 0.733 378 A CB 1.593 19.982 19.000 -1.018 0.000 1.320 378 A HN 0.540 nan 8.150 nan 0.000 0.419 379 I N 1.581 121.951 120.570 -0.333 0.000 2.404 379 I HA 0.381 4.550 4.170 -0.003 0.000 0.293 379 I C -2.409 173.539 176.117 -0.282 0.000 0.992 379 I CA -2.521 58.541 61.300 -0.397 0.000 1.149 379 I CB 1.266 39.172 38.000 -0.157 0.000 1.315 379 I HN 0.331 nan 8.210 nan 0.000 0.446 380 P HA 0.075 nan 4.420 nan 0.000 0.271 380 P C 0.870 178.158 177.300 -0.020 0.000 1.220 380 P CA 0.010 63.022 63.100 -0.146 0.000 0.768 380 P CB 1.384 32.989 31.700 -0.159 0.000 0.848 381 V N 2.950 122.963 119.914 0.165 0.000 2.970 381 V HA -0.176 3.942 4.120 -0.003 0.000 0.260 381 V C 2.465 178.781 176.094 0.370 0.000 1.100 381 V CA 2.332 64.866 62.300 0.390 0.000 1.122 381 V CB -1.257 30.802 31.823 0.394 0.000 0.721 381 V HN 0.660 nan 8.190 nan 0.000 0.483 382 S N 1.401 117.218 115.700 0.196 0.000 2.469 382 S HA -0.181 4.287 4.470 -0.003 0.000 0.238 382 S C 1.881 176.503 174.600 0.036 0.000 0.998 382 S CA 1.551 59.856 58.200 0.176 0.000 0.957 382 S CB -0.879 62.380 63.200 0.098 0.000 0.764 382 S HN 0.798 nan 8.310 nan 0.000 0.514 383 I N -2.792 117.653 120.570 -0.208 0.000 2.916 383 I HA 0.161 4.330 4.170 -0.003 0.000 0.267 383 I C 0.833 176.533 176.117 -0.696 0.000 1.263 383 I CA 0.873 61.890 61.300 -0.473 0.000 1.471 383 I CB -0.542 37.062 38.000 -0.660 0.000 1.089 383 I HN 0.098 nan 8.210 nan 0.000 0.468 384 F N 0.190 119.962 119.950 -0.297 0.000 2.639 384 F HA 0.390 4.914 4.527 -0.004 0.000 0.300 384 F C -0.126 174.957 175.800 -1.195 0.000 1.109 384 F CA -0.522 57.024 58.000 -0.756 0.000 1.335 384 F CB -0.489 38.204 39.000 -0.511 0.000 1.014 384 F HN -0.051 nan 8.300 nan 0.000 0.537 385 Y N -0.571 119.445 120.300 -0.474 0.000 2.485 385 Y HA 0.392 4.940 4.550 -0.002 0.000 0.345 385 Y C 0.727 176.547 175.900 -0.133 0.000 0.998 385 Y CA -1.783 56.171 58.100 -0.244 0.000 1.059 385 Y CB 1.451 39.891 38.460 -0.033 0.000 1.234 385 Y HN -0.081 nan 8.280 nan 0.000 0.461 386 S N 0.118 115.791 115.700 -0.044 0.000 2.558 386 S HA 0.007 4.475 4.470 -0.003 0.000 0.287 386 S C 0.982 175.516 174.600 -0.110 0.000 1.321 386 S CA -0.562 57.408 58.200 -0.384 0.000 1.048 386 S CB 0.726 63.137 63.200 -1.314 0.000 0.844 386 S HN 0.553 nan 8.310 nan 0.000 0.512 387 V N 3.105 122.976 119.914 -0.072 0.000 2.287 387 V HA -0.105 4.013 4.120 -0.003 0.000 0.248 387 V C -0.493 175.612 176.094 0.017 0.000 1.053 387 V CA 1.952 64.248 62.300 -0.006 0.000 1.027 387 V CB -2.020 29.801 31.823 -0.003 0.000 0.646 387 V HN 0.753 nan 8.190 nan 0.000 0.447 388 P HA -0.133 nan 4.420 nan 0.000 0.221 388 P C 1.187 178.658 177.300 0.284 0.000 1.145 388 P CA 1.501 64.646 63.100 0.075 0.000 0.795 388 P CB -0.168 31.541 31.700 0.014 0.000 0.775 389 H N -1.906 117.272 119.070 0.179 0.000 2.575 389 H HA 0.161 4.715 4.556 -0.003 0.000 0.267 389 H C 1.826 177.303 175.328 0.248 0.000 0.966 389 H CA -0.094 56.149 56.048 0.325 0.000 1.165 389 H CB 0.229 30.222 29.762 0.386 0.000 1.433 389 H HN 0.205 nan 8.280 nan 0.000 0.544 390 Q N 1.341 121.285 119.800 0.240 0.000 2.124 390 Q HA -0.165 4.173 4.340 -0.003 0.000 0.202 390 Q C 2.069 178.099 176.000 0.049 0.000 0.977 390 Q CA 1.505 57.387 55.803 0.132 0.000 0.850 390 Q CB 0.013 28.801 28.738 0.083 0.000 0.901 390 Q HN 0.569 nan 8.270 nan 0.000 0.429 391 K N -0.598 119.774 120.400 -0.047 0.000 2.283 391 K HA -0.151 4.167 4.320 -0.003 0.000 0.202 391 K C 0.975 177.410 176.600 -0.275 0.000 1.048 391 K CA 1.611 57.781 56.287 -0.196 0.000 0.948 391 K CB -0.091 32.217 32.500 -0.320 0.000 0.742 391 K HN 0.364 nan 8.250 nan 0.000 0.458 392 H N -1.074 118.002 119.070 0.010 0.000 2.553 392 H HA 0.192 4.746 4.556 -0.003 0.000 0.276 392 H C -0.183 174.937 175.328 -0.347 0.000 0.979 392 H CA 0.234 56.187 56.048 -0.158 0.000 1.268 392 H CB 0.359 30.008 29.762 -0.189 0.000 1.450 392 H HN 0.054 nan 8.280 nan 0.000 0.527 393 F N 1.961 121.859 119.950 -0.087 0.000 2.532 393 F HA 0.149 4.674 4.527 -0.002 0.000 0.313 393 F C 0.023 175.728 175.800 -0.160 0.000 1.301 393 F CA -0.682 57.161 58.000 -0.260 0.000 1.154 393 F CB 0.686 39.106 39.000 -0.967 0.000 1.335 393 F HN 0.192 nan 8.300 nan 0.000 0.542 394 D N -1.120 119.325 120.400 0.076 0.000 2.440 394 D HA -0.030 4.608 4.640 -0.003 0.000 0.216 394 D C 0.844 177.227 176.300 0.138 0.000 1.150 394 D CA 0.173 54.239 54.000 0.110 0.000 0.832 394 D CB -0.514 40.351 40.800 0.109 0.000 0.992 394 D HN 0.538 nan 8.370 nan 0.000 0.502 395 H N -1.415 117.638 119.070 -0.029 0.000 2.510 395 H HA 0.260 4.814 4.556 -0.003 0.000 0.266 395 H C -1.145 173.975 175.328 -0.347 0.000 1.146 395 H CA -0.558 55.381 56.048 -0.182 0.000 0.993 395 H CB -0.681 28.894 29.762 -0.312 0.000 1.727 395 H HN -0.061 nan 8.280 nan 0.000 0.590 396 Y N 1.378 121.673 120.300 -0.009 0.000 2.499 396 Y HA 0.519 5.067 4.550 -0.003 0.000 0.347 396 Y C 0.258 176.208 175.900 0.083 0.000 0.987 396 Y CA -1.309 56.831 58.100 0.068 0.000 1.044 396 Y CB 2.195 40.717 38.460 0.104 0.000 1.245 396 Y HN 0.208 nan 8.280 nan 0.000 0.461 397 I N -0.615 120.115 120.570 0.266 0.000 2.828 397 I HA 0.711 4.880 4.170 -0.003 0.000 0.302 397 I C -1.136 175.045 176.117 0.106 0.000 1.101 397 I CA -1.273 60.098 61.300 0.119 0.000 1.031 397 I CB 2.598 40.617 38.000 0.032 0.000 1.231 397 I HN 0.555 nan 8.210 nan 0.000 0.427 398 R N 3.696 124.181 120.500 -0.025 0.000 2.338 398 R HA 0.603 4.941 4.340 -0.003 0.000 0.317 398 R C -1.995 174.247 176.300 -0.096 0.000 0.968 398 R CA -0.461 55.654 56.100 0.025 0.000 0.849 398 R CB 1.210 31.508 30.300 -0.003 0.000 1.128 398 R HN 0.651 nan 8.270 nan 0.000 0.448 399 F N 2.357 122.426 119.950 0.198 0.000 2.492 399 F HA 0.417 4.942 4.527 -0.003 0.000 0.327 399 F C 0.147 176.102 175.800 0.259 0.000 1.079 399 F CA -0.683 57.441 58.000 0.206 0.000 0.967 399 F CB 1.683 40.797 39.000 0.190 0.000 1.169 399 F HN 0.395 nan 8.300 nan 0.000 0.472 400 C N 4.619 124.132 119.300 0.354 0.000 2.298 400 C HA 0.496 4.954 4.460 -0.003 0.000 0.323 400 C C 0.725 175.696 174.990 -0.031 0.000 1.284 400 C CA -0.803 58.249 59.018 0.056 0.000 1.577 400 C CB -1.169 26.597 27.740 0.043 0.000 2.249 400 C HN 0.816 nan 8.230 nan 0.000 0.497 401 F N 3.562 123.503 119.950 -0.015 0.000 2.695 401 F HA 0.392 4.918 4.527 -0.003 0.000 0.303 401 F C 0.451 176.198 175.800 -0.089 0.000 1.091 401 F CA -0.480 57.485 58.000 -0.058 0.000 1.300 401 F CB -0.689 38.259 39.000 -0.087 0.000 1.071 401 F HN 0.178 nan 8.300 nan 0.000 0.578 402 V N 3.815 123.553 119.914 -0.292 0.000 2.149 402 V HA 0.216 4.334 4.120 -0.003 0.000 0.245 402 V C -0.150 175.958 176.094 0.023 0.000 1.349 402 V CA 0.033 62.237 62.300 -0.161 0.000 1.289 402 V CB -1.067 30.383 31.823 -0.621 0.000 1.401 402 V HN 0.163 nan 8.190 nan 0.000 0.501 403 K N 1.301 121.852 120.400 0.250 0.000 2.482 403 K HA 0.404 4.722 4.320 -0.003 0.000 0.257 403 K C -0.516 176.312 176.600 0.380 0.000 0.969 403 K CA -0.839 55.599 56.287 0.251 0.000 0.842 403 K CB 2.114 34.666 32.500 0.085 0.000 1.359 403 K HN 0.366 nan 8.250 nan 0.000 0.441 404 D N 1.319 121.955 120.400 0.394 0.000 2.400 404 D HA -0.048 4.590 4.640 -0.003 0.000 0.238 404 D C 0.830 177.193 176.300 0.105 0.000 1.157 404 D CA 0.537 54.690 54.000 0.256 0.000 0.889 404 D CB 0.983 41.929 40.800 0.244 0.000 1.199 404 D HN 0.429 nan 8.370 nan 0.000 0.436 405 E N 1.658 121.890 120.200 0.054 0.000 2.114 405 E HA -0.276 4.072 4.350 -0.003 0.000 0.199 405 E C 1.789 178.421 176.600 0.054 0.000 1.008 405 E CA 1.510 57.938 56.400 0.046 0.000 0.810 405 E CB -0.048 29.676 29.700 0.040 0.000 0.739 405 E HN 0.580 nan 8.360 nan 0.000 0.456 406 A N 0.415 123.272 122.820 0.061 0.000 1.933 406 A HA -0.165 4.154 4.320 -0.003 0.000 0.218 406 A C 2.323 179.939 177.584 0.053 0.000 1.175 406 A CA 1.859 53.931 52.037 0.059 0.000 0.628 406 A CB -0.627 18.410 19.000 0.062 0.000 0.814 406 A HN 0.204 nan 8.150 nan 0.000 0.444 407 T N 0.461 115.049 114.554 0.056 0.000 2.812 407 T HA -0.027 4.321 4.350 -0.003 0.000 0.264 407 T C 1.793 176.502 174.700 0.014 0.000 1.042 407 T CA 1.341 63.468 62.100 0.045 0.000 1.140 407 T CB -0.343 68.559 68.868 0.057 0.000 0.870 407 T HN 0.377 nan 8.240 nan 0.000 0.445 408 L N 0.755 121.962 121.223 -0.027 0.000 2.083 408 L HA -0.123 4.215 4.340 -0.003 0.000 0.209 408 L C 2.901 179.744 176.870 -0.044 0.000 1.083 408 L CA 1.304 56.057 54.840 -0.146 0.000 0.752 408 L CB -0.636 41.190 42.059 -0.389 0.000 0.899 408 L HN 0.304 nan 8.230 nan 0.000 0.433 409 Q N -0.119 119.706 119.800 0.041 0.000 2.084 409 Q HA -0.205 4.133 4.340 -0.003 0.000 0.202 409 Q C 2.488 178.526 176.000 0.062 0.000 0.978 409 Q CA 1.668 57.519 55.803 0.081 0.000 0.844 409 Q CB -0.274 28.509 28.738 0.075 0.000 0.898 409 Q HN 0.569 nan 8.270 nan 0.000 0.426 410 A N 1.183 124.033 122.820 0.049 0.000 1.908 410 A HA -0.236 4.082 4.320 -0.003 0.000 0.218 410 A C 2.042 179.659 177.584 0.055 0.000 1.181 410 A CA 1.592 53.658 52.037 0.049 0.000 0.627 410 A CB -0.668 18.360 19.000 0.046 0.000 0.818 410 A HN 0.476 nan 8.150 nan 0.000 0.445 411 M N -0.450 119.179 119.600 0.049 0.000 2.080 411 M HA -0.220 4.258 4.480 -0.003 0.000 0.260 411 M C 1.288 177.633 176.300 0.075 0.000 1.068 411 M CA 2.523 57.859 55.300 0.060 0.000 1.109 411 M CB -0.481 32.135 32.600 0.025 0.000 1.342 411 M HN 0.325 nan 8.290 nan 0.000 0.405 412 D N 0.281 120.727 120.400 0.076 0.000 2.178 412 D HA -0.204 4.434 4.640 -0.003 0.000 0.201 412 D C 1.823 178.173 176.300 0.083 0.000 0.980 412 D CA 1.493 55.548 54.000 0.092 0.000 0.842 412 D CB -0.345 40.530 40.800 0.124 0.000 0.948 412 D HN 0.625 nan 8.370 nan 0.000 0.472 413 E N 0.628 120.872 120.200 0.075 0.000 2.051 413 E HA -0.186 4.162 4.350 -0.003 0.000 0.192 413 E C 1.738 178.386 176.600 0.080 0.000 0.991 413 E CA 0.881 57.321 56.400 0.068 0.000 0.799 413 E CB 0.264 29.997 29.700 0.055 0.000 0.748 413 E HN -0.021 nan 8.360 nan 0.000 0.449 414 K N 0.496 120.950 120.400 0.089 0.000 2.057 414 K HA -0.135 4.183 4.320 -0.003 0.000 0.207 414 K C 2.310 179.024 176.600 0.191 0.000 1.049 414 K CA 0.906 57.261 56.287 0.112 0.000 0.931 414 K CB -0.472 32.093 32.500 0.108 0.000 0.714 414 K HN 0.293 nan 8.250 nan 0.000 0.440 415 L N 0.444 121.778 121.223 0.185 0.000 2.093 415 L HA -0.116 4.222 4.340 -0.003 0.000 0.208 415 L C 2.644 179.610 176.870 0.161 0.000 1.085 415 L CA 1.090 56.049 54.840 0.197 0.000 0.755 415 L CB -0.308 41.804 42.059 0.090 0.000 0.904 415 L HN 0.145 nan 8.230 nan 0.000 0.435 416 R N 0.220 120.789 120.500 0.116 0.000 2.096 416 R HA -0.172 4.166 4.340 -0.003 0.000 0.235 416 R C 2.292 178.665 176.300 0.122 0.000 1.127 416 R CA 1.325 57.482 56.100 0.095 0.000 0.968 416 R CB -0.189 30.152 30.300 0.068 0.000 0.861 416 R HN 0.318 nan 8.270 nan 0.000 0.440 417 K N -0.526 119.956 120.400 0.136 0.000 2.097 417 K HA -0.177 4.141 4.320 -0.003 0.000 0.205 417 K C 1.760 178.485 176.600 0.209 0.000 1.050 417 K CA 1.105 57.470 56.287 0.130 0.000 0.938 417 K CB -0.158 32.392 32.500 0.084 0.000 0.718 417 K HN 0.238 nan 8.250 nan 0.000 0.442 418 W N 2.591 123.909 121.300 0.030 0.000 2.381 418 W HA -0.101 4.557 4.660 -0.003 0.000 0.301 418 W C 1.723 178.299 176.519 0.096 0.000 1.205 418 W CA 1.145 58.524 57.345 0.056 0.000 1.285 418 W CB -0.335 29.164 29.460 0.065 0.000 1.133 418 W HN -0.057 nan 8.180 nan 0.000 0.521 419 K N 0.482 121.050 120.400 0.280 0.000 2.097 419 K HA -0.180 4.139 4.320 -0.003 0.000 0.206 419 K C 1.877 178.568 176.600 0.152 0.000 1.049 419 K CA 2.217 58.584 56.287 0.134 0.000 0.933 419 K CB -0.387 32.143 32.500 0.050 0.000 0.717 419 K HN 0.071 nan 8.250 nan 0.000 0.442 420 V N -0.041 119.962 119.914 0.148 0.000 2.867 420 V HA -0.128 3.990 4.120 -0.003 0.000 0.260 420 V C 1.196 177.371 176.094 0.134 0.000 1.099 420 V CA 1.854 64.224 62.300 0.115 0.000 1.122 420 V CB -0.732 31.145 31.823 0.089 0.000 0.708 420 V HN 0.467 nan 8.190 nan 0.000 0.490 421 E N -0.395 119.923 120.200 0.197 0.000 2.789 421 E HA 0.265 4.614 4.350 -0.003 0.000 0.208 421 E C 0.333 177.106 176.600 0.287 0.000 0.988 421 E CA -0.708 55.813 56.400 0.202 0.000 1.092 421 E CB 0.297 30.094 29.700 0.162 0.000 1.066 421 E HN 0.366 nan 8.360 nan 0.000 0.465 422 L N 0.000 121.400 121.223 0.294 0.000 2.949 422 L HA 0.000 4.338 4.340 -0.003 0.000 0.249 422 L CA 0.000 55.035 54.840 0.324 0.000 0.813 422 L CB 0.000 42.178 42.059 0.198 0.000 0.961 422 L HN 0.000 nan 8.230 nan 0.000 0.502