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 1w7m_1_A DATA FIRST_RESID 4 DATA SEQUENCE QLQARRLDGI DYNPWVEFVK LASEHDVVNL GQGFPDFPPP DFAVEAFQHA DATA SEQUENCE VSGDFMLNQY TKTFGYPPLT KILASFFGEL LGQEIDPLRN VLVTVGGYGA DATA SEQUENCE LFTAFQALVD EGDEVIIIEP FFDCYEPMTM MAGGRPVFVS LKPGPXXXGE 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 LQSVGLKPLI PQGSYFLITD ISDFKRKMPD DATA SEQUENCE LPGAVDEPYD RRFVKWMIKN KGLVAIPVSI FYSVPHQKHF DHYIRFCFVK DATA SEQUENCE DEATLQAMDE KLRKWKVE 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 0.000 176.007 176.000 0.012 0.000 1.003 4 Q CA 0.000 55.809 55.803 0.011 0.000 1.022 4 Q CB 0.000 28.743 28.738 0.009 0.000 1.108 5 L N 2.879 124.109 121.223 0.012 0.000 2.056 5 L HA 0.001 4.341 4.340 -0.000 0.000 0.207 5 L C 1.205 178.083 176.870 0.015 0.000 1.078 5 L CA 1.663 56.510 54.840 0.012 0.000 0.749 5 L CB -0.206 41.860 42.059 0.011 0.000 0.901 5 L HN 0.223 nan 8.230 nan 0.000 0.433 6 Q N 0.717 120.527 119.800 0.016 0.000 2.199 6 Q HA 0.473 4.813 4.340 -0.000 0.000 0.232 6 Q C -0.450 175.563 176.000 0.021 0.000 0.969 6 Q CA -0.202 55.612 55.803 0.020 0.000 0.925 6 Q CB 1.089 29.839 28.738 0.021 0.000 1.198 6 Q HN 0.278 nan 8.270 nan 0.000 0.494 7 A N 1.408 124.243 122.820 0.025 0.000 2.316 7 A HA 0.303 4.623 4.320 -0.000 0.000 0.284 7 A C 0.933 178.533 177.584 0.026 0.000 1.115 7 A CA -0.536 51.517 52.037 0.026 0.000 0.812 7 A CB 0.430 19.449 19.000 0.032 0.000 1.064 7 A HN 0.856 nan 8.150 nan 0.000 0.489 8 R N 0.819 121.333 120.500 0.023 0.000 2.159 8 R HA -0.176 4.164 4.340 -0.000 0.000 0.237 8 R C 2.013 178.328 176.300 0.025 0.000 1.131 8 R CA 1.667 57.780 56.100 0.021 0.000 0.982 8 R CB -0.311 29.999 30.300 0.017 0.000 0.868 8 R HN 0.882 nan 8.270 nan 0.000 0.453 9 R N 1.191 121.709 120.500 0.030 0.000 2.211 9 R HA -0.128 4.212 4.340 -0.000 0.000 0.240 9 R C 1.444 177.768 176.300 0.040 0.000 1.144 9 R CA 1.338 57.459 56.100 0.036 0.000 0.992 9 R CB -0.546 29.782 30.300 0.046 0.000 0.869 9 R HN 0.264 nan 8.270 nan 0.000 0.462 10 L N 1.258 122.505 121.223 0.039 0.000 2.591 10 L HA 0.116 4.455 4.340 -0.000 0.000 0.228 10 L C -0.285 176.608 176.870 0.038 0.000 1.133 10 L CA -0.226 54.638 54.840 0.041 0.000 0.880 10 L CB -0.310 41.772 42.059 0.038 0.000 1.033 10 L HN 0.049 nan 8.230 nan 0.000 0.450 11 D N 1.198 121.618 120.400 0.032 0.000 2.401 11 D HA 0.301 4.941 4.640 -0.000 0.000 0.254 11 D C 1.187 177.507 176.300 0.034 0.000 1.192 11 D CA 1.225 55.242 54.000 0.029 0.000 0.885 11 D CB 1.164 41.977 40.800 0.022 0.000 1.147 11 D HN 0.261 nan 8.370 nan 0.000 0.478 12 G N 2.909 111.733 108.800 0.039 0.000 3.206 12 G HA2 -0.369 3.591 3.960 -0.000 0.000 0.217 12 G HA3 -0.369 3.591 3.960 -0.000 0.000 0.217 12 G C 1.196 176.137 174.900 0.068 0.000 1.350 12 G CA 0.122 45.251 45.100 0.047 0.000 0.836 12 G HN 0.664 nan 8.290 nan 0.000 0.548 13 I N 0.928 121.535 120.570 0.060 0.000 3.102 13 I HA 0.077 4.247 4.170 -0.000 0.000 0.278 13 I C 1.857 178.022 176.117 0.080 0.000 1.316 13 I CA 2.178 63.518 61.300 0.066 0.000 1.425 13 I CB -0.357 37.673 38.000 0.050 0.000 1.073 13 I HN 0.416 nan 8.210 nan 0.000 0.503 14 D N 0.336 120.792 120.400 0.094 0.000 2.289 14 D HA -0.200 4.440 4.640 -0.000 0.000 0.207 14 D C 0.588 176.973 176.300 0.141 0.000 0.966 14 D CA 0.240 54.299 54.000 0.098 0.000 0.868 14 D CB -0.303 40.550 40.800 0.088 0.000 0.943 14 D HN 0.493 nan 8.370 nan 0.000 0.514 15 Y N 1.574 121.882 120.300 0.013 0.000 2.393 15 Y HA 0.319 4.869 4.550 -0.000 0.000 0.338 15 Y C -0.472 175.435 175.900 0.010 0.000 1.029 15 Y CA -0.871 57.233 58.100 0.007 0.000 1.239 15 Y CB 0.686 39.143 38.460 -0.005 0.000 1.170 15 Y HN -0.222 nan 8.280 nan 0.000 0.515 16 N N 7.340 125.723 118.700 -0.527 0.000 2.626 16 N HA 0.369 5.109 4.740 -0.000 0.000 0.249 16 N C -2.202 173.023 175.510 -0.475 0.000 1.021 16 N CA -1.961 50.892 53.050 -0.328 0.000 0.886 16 N CB 1.451 39.875 38.487 -0.105 0.000 1.149 16 N HN 0.284 nan 8.380 nan 0.000 0.517 17 P HA -0.093 nan 4.420 nan 0.000 0.218 17 P C 0.424 177.583 177.300 -0.235 0.000 1.146 17 P CA 0.991 63.869 63.100 -0.371 0.000 0.813 17 P CB 0.177 31.603 31.700 -0.456 0.000 0.778 18 W N -0.091 121.140 121.300 -0.114 0.000 1.579 18 W HA -0.228 4.432 4.660 -0.000 0.000 0.279 18 W C 2.220 178.740 176.519 0.001 0.000 0.896 18 W CA 0.844 58.165 57.345 -0.040 0.000 0.930 18 W CB -1.657 27.772 29.460 -0.053 0.000 1.041 18 W HN -0.339 nan 8.180 nan 0.000 0.529 19 V N 0.284 120.333 119.914 0.226 0.000 2.406 19 V HA -0.526 3.594 4.120 -0.000 0.000 0.243 19 V C 1.945 178.067 176.094 0.046 0.000 1.103 19 V CA 2.662 65.018 62.300 0.094 0.000 1.094 19 V CB -1.728 30.110 31.823 0.026 0.000 0.922 19 V HN 0.561 nan 8.190 nan 0.000 0.467 20 E N -0.800 119.390 120.200 -0.016 0.000 2.160 20 E HA -0.203 4.147 4.350 -0.000 0.000 0.195 20 E C 1.994 178.523 176.600 -0.118 0.000 0.991 20 E CA 1.907 58.252 56.400 -0.092 0.000 0.810 20 E CB -0.107 29.488 29.700 -0.175 0.000 0.742 20 E HN 0.701 nan 8.360 nan 0.000 0.466 21 F N -0.263 119.673 119.950 -0.022 0.000 2.188 21 F HA -0.007 4.520 4.527 -0.000 0.000 0.289 21 F C 2.041 177.858 175.800 0.028 0.000 1.082 21 F CA 0.318 58.308 58.000 -0.018 0.000 1.282 21 F CB 0.155 39.116 39.000 -0.065 0.000 1.060 21 F HN -0.172 nan 8.300 nan 0.000 0.493 22 V N 1.673 121.742 119.914 0.258 0.000 3.564 22 V HA -0.118 4.002 4.120 -0.000 0.000 0.283 22 V C 1.638 177.811 176.094 0.132 0.000 1.227 22 V CA 1.048 63.469 62.300 0.202 0.000 1.217 22 V CB -0.884 31.084 31.823 0.241 0.000 0.994 22 V HN 0.257 nan 8.190 nan 0.000 0.446 23 K N -0.311 120.146 120.400 0.095 0.000 2.474 23 K HA 0.098 4.418 4.320 -0.000 0.000 0.202 23 K C 1.703 178.333 176.600 0.050 0.000 1.248 23 K CA 0.299 56.620 56.287 0.057 0.000 0.946 23 K CB 0.087 32.605 32.500 0.029 0.000 1.102 23 K HN 0.370 nan 8.250 nan 0.000 0.541 24 L N 1.995 123.241 121.223 0.038 0.000 2.156 24 L HA 0.142 4.482 4.340 -0.000 0.000 0.208 24 L C 2.258 179.206 176.870 0.130 0.000 1.095 24 L CA 1.882 56.755 54.840 0.055 0.000 0.770 24 L CB -0.507 41.529 42.059 -0.038 0.000 0.914 24 L HN 0.216 nan 8.230 nan 0.000 0.439 25 A N -0.674 122.216 122.820 0.117 0.000 1.877 25 A HA -0.196 4.124 4.320 -0.000 0.000 0.216 25 A C 2.320 179.980 177.584 0.126 0.000 1.186 25 A CA 1.992 54.099 52.037 0.116 0.000 0.620 25 A CB -1.040 18.032 19.000 0.120 0.000 0.822 25 A HN 0.601 nan 8.150 nan 0.000 0.443 26 S N 0.745 116.507 115.700 0.104 0.000 2.481 26 S HA -0.104 4.366 4.470 -0.000 0.000 0.231 26 S C 1.258 175.891 174.600 0.055 0.000 0.996 26 S CA 0.931 59.177 58.200 0.076 0.000 0.942 26 S CB -0.341 62.896 63.200 0.061 0.000 0.768 26 S HN 0.860 nan 8.310 nan 0.000 0.520 27 E N 1.317 121.557 120.200 0.068 0.000 2.335 27 E HA 0.120 4.470 4.350 -0.000 0.000 0.191 27 E C -0.309 176.192 176.600 -0.164 0.000 1.077 27 E CA -0.189 56.197 56.400 -0.024 0.000 1.010 27 E CB -0.097 29.575 29.700 -0.047 0.000 1.141 27 E HN 0.559 nan 8.360 nan 0.000 0.452 28 H N 0.189 119.250 119.070 -0.016 0.000 3.008 28 H HA 0.162 4.718 4.556 -0.000 0.000 0.354 28 H C -1.446 173.871 175.328 -0.019 0.000 1.252 28 H CA -0.957 55.074 56.048 -0.029 0.000 1.117 28 H CB 1.980 31.714 29.762 -0.047 0.000 1.857 28 H HN 0.091 nan 8.280 nan 0.000 0.547 29 D N 1.959 122.421 120.400 0.104 0.000 2.339 29 D HA 0.351 4.991 4.640 -0.000 0.000 0.241 29 D C -0.684 175.649 176.300 0.054 0.000 1.183 29 D CA -0.290 53.745 54.000 0.058 0.000 0.859 29 D CB 0.388 41.205 40.800 0.028 0.000 1.067 29 D HN 0.377 nan 8.370 nan 0.000 0.484 30 V N 1.235 121.180 119.914 0.051 0.000 2.925 30 V HA 0.590 4.710 4.120 -0.000 0.000 0.311 30 V C -0.322 175.799 176.094 0.045 0.000 1.104 30 V CA -1.134 61.189 62.300 0.037 0.000 0.954 30 V CB 1.680 33.529 31.823 0.043 0.000 1.022 30 V HN 0.228 nan 8.190 nan 0.000 0.427 31 V N 2.820 122.763 119.914 0.048 0.000 2.385 31 V HA 0.376 4.495 4.120 -0.000 0.000 0.269 31 V C 0.320 176.455 176.094 0.068 0.000 1.043 31 V CA -0.313 62.024 62.300 0.061 0.000 0.906 31 V CB 0.926 32.792 31.823 0.072 0.000 0.995 31 V HN 0.919 nan 8.190 nan 0.000 0.467 32 N N 4.781 123.513 118.700 0.054 0.000 2.439 32 N HA 0.339 5.079 4.740 -0.000 0.000 0.243 32 N C 0.075 175.602 175.510 0.029 0.000 1.088 32 N CA -0.067 53.009 53.050 0.044 0.000 0.940 32 N CB 1.145 39.656 38.487 0.040 0.000 1.180 32 N HN 0.662 nan 8.380 nan 0.000 0.505 33 L N 1.424 122.689 121.223 0.070 0.000 2.959 33 L HA 0.338 4.678 4.340 -0.000 0.000 0.259 33 L C 1.709 178.628 176.870 0.082 0.000 1.185 33 L CA -0.126 54.781 54.840 0.111 0.000 0.998 33 L CB 0.812 43.053 42.059 0.304 0.000 1.337 33 L HN 0.455 nan 8.230 nan 0.000 0.555 34 G N -0.998 107.831 108.800 0.048 0.000 3.020 34 G HA2 0.056 4.016 3.960 -0.000 0.000 0.217 34 G HA3 0.056 4.016 3.960 -0.000 0.000 0.217 34 G C 0.523 175.542 174.900 0.199 0.000 1.144 34 G CA -0.192 44.960 45.100 0.086 0.000 0.760 34 G HN 0.251 nan 8.290 nan 0.000 0.548 35 Q N 0.733 120.577 119.800 0.073 0.000 2.288 35 Q HA 0.368 4.708 4.340 -0.000 0.000 0.258 35 Q C 0.574 176.595 176.000 0.036 0.000 0.957 35 Q CA -0.255 55.529 55.803 -0.032 0.000 0.919 35 Q CB 1.619 29.989 28.738 -0.614 0.000 1.185 35 Q HN 0.122 nan 8.270 nan 0.000 0.408 36 G N 3.702 112.728 108.800 0.377 0.000 3.452 36 G HA2 0.319 4.279 3.960 -0.000 0.000 0.258 36 G HA3 0.319 4.279 3.960 -0.000 0.000 0.258 36 G C -0.392 174.860 174.900 0.586 0.000 1.305 36 G CA -0.082 45.386 45.100 0.615 0.000 1.514 36 G HN 0.537 nan 8.290 nan 0.000 0.593 37 F N -2.219 117.857 119.950 0.210 0.000 2.631 37 F HA 0.723 5.250 4.527 -0.000 0.000 0.308 37 F C -2.838 172.868 175.800 -0.156 0.000 1.097 37 F CA -3.506 54.555 58.000 0.101 0.000 0.952 37 F CB 0.981 40.018 39.000 0.062 0.000 1.307 37 F HN -0.182 nan 8.300 nan 0.000 0.450 38 P HA 0.147 nan 4.420 nan 0.000 0.272 38 P C -0.653 176.417 177.300 -0.383 0.000 1.230 38 P CA 0.004 62.727 63.100 -0.628 0.000 0.788 38 P CB 0.852 31.876 31.700 -1.127 0.000 0.949 39 D N -0.293 119.861 120.400 -0.410 0.000 2.696 39 D HA 0.191 4.831 4.640 -0.000 0.000 0.269 39 D C -0.214 176.100 176.300 0.023 0.000 1.319 39 D CA -0.401 53.548 54.000 -0.085 0.000 0.826 39 D CB -0.887 39.914 40.800 0.001 0.000 1.086 39 D HN 0.262 nan 8.370 nan 0.000 0.481 40 F N -1.513 118.493 119.950 0.095 0.000 2.654 40 F HA 0.868 5.395 4.527 -0.000 0.000 0.334 40 F C -2.671 173.179 175.800 0.084 0.000 1.078 40 F CA -2.879 55.175 58.000 0.090 0.000 0.986 40 F CB -0.374 38.689 39.000 0.104 0.000 1.362 40 F HN -0.380 nan 8.300 nan 0.000 0.498 41 P HA 0.376 nan 4.420 nan 0.000 0.274 41 P C -2.652 174.723 177.300 0.126 0.000 1.246 41 P CA -1.043 62.138 63.100 0.136 0.000 0.795 41 P CB 0.062 31.832 31.700 0.116 0.000 1.006 42 P HA 0.149 nan 4.420 nan 0.000 0.271 42 P C -2.260 174.923 177.300 -0.196 0.000 1.244 42 P CA -1.002 61.992 63.100 -0.176 0.000 0.793 42 P CB -1.146 30.366 31.700 -0.313 0.000 0.984 43 P HA 0.003 nan 4.420 nan 0.000 0.272 43 P C 0.046 177.118 177.300 -0.380 0.000 1.223 43 P CA 0.149 63.028 63.100 -0.369 0.000 0.784 43 P CB 0.628 31.882 31.700 -0.743 0.000 0.923 44 D N 1.136 121.462 120.400 -0.124 0.000 2.133 44 D HA -0.187 4.453 4.640 -0.000 0.000 0.195 44 D C 1.568 177.791 176.300 -0.129 0.000 0.997 44 D CA 1.538 55.493 54.000 -0.075 0.000 0.840 44 D CB -0.731 40.089 40.800 0.033 0.000 0.947 44 D HN 0.561 nan 8.370 nan 0.000 0.452 45 F N -0.589 119.275 119.950 -0.143 0.000 2.365 45 F HA 0.198 4.725 4.527 -0.000 0.000 0.300 45 F C 2.006 177.692 175.800 -0.190 0.000 1.090 45 F CA 0.695 58.603 58.000 -0.152 0.000 1.408 45 F CB -0.453 38.448 39.000 -0.166 0.000 1.060 45 F HN -0.067 nan 8.300 nan 0.000 0.534 46 A N 0.971 123.160 122.820 -1.052 0.000 1.887 46 A HA 0.100 4.420 4.320 -0.000 0.000 0.212 46 A C 2.230 179.760 177.584 -0.090 0.000 1.198 46 A CA 1.069 52.661 52.037 -0.742 0.000 0.628 46 A CB -1.160 17.122 19.000 -1.195 0.000 0.847 46 A HN 0.199 nan 8.150 nan 0.000 0.449 47 V N 0.656 120.516 119.914 -0.091 0.000 2.250 47 V HA -0.354 3.766 4.120 -0.000 0.000 0.250 47 V C 2.422 178.500 176.094 -0.028 0.000 1.060 47 V CA 2.594 64.947 62.300 0.087 0.000 1.030 47 V CB -0.997 30.831 31.823 0.009 0.000 0.643 47 V HN 0.653 nan 8.190 nan 0.000 0.445 48 E N -0.071 120.036 120.200 -0.154 0.000 2.118 48 E HA -0.205 4.145 4.350 -0.000 0.000 0.195 48 E C 2.281 178.546 176.600 -0.558 0.000 0.992 48 E CA 1.269 57.464 56.400 -0.342 0.000 0.804 48 E CB -0.376 29.155 29.700 -0.282 0.000 0.741 48 E HN 0.632 nan 8.360 nan 0.000 0.458 49 A N 0.762 123.415 122.820 -0.279 0.000 1.902 49 A HA -0.189 4.131 4.320 -0.000 0.000 0.217 49 A C 1.947 179.460 177.584 -0.118 0.000 1.181 49 A CA 0.997 52.933 52.037 -0.169 0.000 0.623 49 A CB -0.764 18.180 19.000 -0.093 0.000 0.818 49 A HN 0.323 nan 8.150 nan 0.000 0.443 50 F N 0.159 119.927 119.950 -0.303 0.000 2.031 50 F HA -0.299 4.228 4.527 -0.000 0.000 0.295 50 F C 2.815 178.459 175.800 -0.260 0.000 1.133 50 F CA 1.715 59.478 58.000 -0.395 0.000 1.188 50 F CB -0.271 38.419 39.000 -0.518 0.000 0.974 50 F HN 0.282 nan 8.300 nan 0.000 0.473 51 Q N -0.458 119.325 119.800 -0.029 0.000 2.142 51 Q HA -0.357 3.983 4.340 -0.000 0.000 0.213 51 Q C 1.703 177.711 176.000 0.013 0.000 1.004 51 Q CA 2.565 58.316 55.803 -0.088 0.000 0.883 51 Q CB -0.735 27.928 28.738 -0.126 0.000 0.939 51 Q HN 0.669 nan 8.270 nan 0.000 0.413 52 H N -0.773 118.307 119.070 0.017 0.000 2.353 52 H HA -0.060 4.496 4.556 -0.000 0.000 0.300 52 H C 2.089 177.420 175.328 0.005 0.000 1.090 52 H CA 0.532 56.585 56.048 0.008 0.000 1.327 52 H CB -0.035 29.731 29.762 0.007 0.000 1.383 52 H HN 0.358 nan 8.280 nan 0.000 0.508 53 A N 1.031 123.920 122.820 0.116 0.000 1.969 53 A HA -0.096 4.224 4.320 -0.000 0.000 0.218 53 A C 2.382 179.989 177.584 0.039 0.000 1.169 53 A CA 1.427 53.491 52.037 0.044 0.000 0.635 53 A CB -0.622 18.357 19.000 -0.035 0.000 0.810 53 A HN 0.355 nan 8.150 nan 0.000 0.445 54 V N -1.905 118.040 119.914 0.053 0.000 3.623 54 V HA 0.120 4.239 4.120 -0.000 0.000 0.271 54 V C 1.240 177.336 176.094 0.005 0.000 1.248 54 V CA 1.545 63.845 62.300 0.001 0.000 1.156 54 V CB -0.426 31.348 31.823 -0.082 0.000 0.870 54 V HN 0.690 nan 8.190 nan 0.000 0.453 55 S N -1.439 114.282 115.700 0.035 0.000 2.819 55 S HA 0.575 5.045 4.470 -0.000 0.000 0.249 55 S C 0.853 175.483 174.600 0.050 0.000 1.030 55 S CA 0.207 58.431 58.200 0.040 0.000 1.052 55 S CB 0.433 63.657 63.200 0.040 0.000 1.017 55 S HN 0.754 nan 8.310 nan 0.000 0.576 56 G N 1.419 110.248 108.800 0.047 0.000 3.227 56 G HA2 0.366 4.326 3.960 -0.000 0.000 0.171 56 G HA3 0.366 4.326 3.960 -0.000 0.000 0.171 56 G C -0.758 174.158 174.900 0.028 0.000 1.463 56 G CA -0.330 44.788 45.100 0.032 0.000 1.016 56 G HN 0.382 nan 8.290 nan 0.000 0.594 57 D N 0.287 120.676 120.400 -0.019 0.000 2.426 57 D HA 0.012 4.652 4.640 -0.000 0.000 0.261 57 D C 1.516 177.734 176.300 -0.136 0.000 1.245 57 D CA -0.457 53.479 54.000 -0.106 0.000 0.917 57 D CB 0.030 40.743 40.800 -0.144 0.000 1.123 57 D HN 0.212 nan 8.370 nan 0.000 0.508 58 F N 3.116 123.063 119.950 -0.006 0.000 2.287 58 F HA -0.184 4.343 4.527 -0.000 0.000 0.301 58 F C 1.577 177.364 175.800 -0.022 0.000 1.069 58 F CA 0.621 58.610 58.000 -0.018 0.000 1.372 58 F CB -0.700 38.288 39.000 -0.021 0.000 1.056 58 F HN 0.267 nan 8.300 nan 0.000 0.523 59 M N 0.841 120.111 119.600 -0.550 0.000 2.460 59 M HA 0.011 4.491 4.480 -0.000 0.000 0.263 59 M C 1.991 178.225 176.300 -0.110 0.000 1.071 59 M CA 0.791 55.914 55.300 -0.295 0.000 1.096 59 M CB -1.179 31.181 32.600 -0.400 0.000 1.408 59 M HN 0.389 nan 8.290 nan 0.000 0.463 60 L N -0.127 121.035 121.223 -0.101 0.000 2.450 60 L HA -0.212 4.128 4.340 -0.000 0.000 0.224 60 L C 1.691 178.523 176.870 -0.064 0.000 1.149 60 L CA 0.566 55.359 54.840 -0.079 0.000 0.816 60 L CB -0.747 41.261 42.059 -0.085 0.000 0.932 60 L HN 0.381 nan 8.230 nan 0.000 0.449 61 N N -0.854 117.832 118.700 -0.024 0.000 2.457 61 N HA -0.034 4.705 4.740 -0.000 0.000 0.180 61 N C 0.691 176.151 175.510 -0.084 0.000 1.050 61 N CA 0.501 53.531 53.050 -0.034 0.000 0.906 61 N CB 0.241 38.733 38.487 0.008 0.000 0.968 61 N HN 0.357 nan 8.380 nan 0.000 0.445 62 Q N -0.086 119.667 119.800 -0.078 0.000 2.169 62 Q HA 0.251 4.591 4.340 -0.000 0.000 0.234 62 Q C -0.189 175.750 176.000 -0.103 0.000 0.980 62 Q CA -0.686 55.028 55.803 -0.148 0.000 0.941 62 Q CB 0.060 28.755 28.738 -0.071 0.000 1.199 62 Q HN 0.183 nan 8.270 nan 0.000 0.496 63 Y N 0.099 120.345 120.300 -0.089 0.000 2.904 63 Y HA -0.099 4.451 4.550 -0.000 0.000 0.336 63 Y C 1.386 177.297 175.900 0.018 0.000 1.263 63 Y CA 0.581 58.608 58.100 -0.120 0.000 1.547 63 Y CB 0.350 38.712 38.460 -0.163 0.000 1.272 63 Y HN 0.417 nan 8.280 nan 0.000 0.596 64 T N 3.026 117.745 114.554 0.275 0.000 2.864 64 T HA 0.283 4.633 4.350 -0.000 0.000 0.276 64 T C -0.156 174.718 174.700 0.290 0.000 1.006 64 T CA -1.088 61.177 62.100 0.275 0.000 0.970 64 T CB 0.578 69.630 68.868 0.307 0.000 1.420 64 T HN 0.338 nan 8.240 nan 0.000 0.601 65 K N 1.590 122.122 120.400 0.220 0.000 2.319 65 K HA 0.110 4.430 4.320 -0.000 0.000 0.265 65 K C 1.386 178.009 176.600 0.037 0.000 1.000 65 K CA 0.071 56.422 56.287 0.106 0.000 0.943 65 K CB 0.867 33.407 32.500 0.066 0.000 0.950 65 K HN 0.782 nan 8.250 nan 0.000 0.485 66 T N 0.717 115.123 114.554 -0.246 0.000 2.746 66 T HA -0.115 4.235 4.350 -0.000 0.000 0.267 66 T C 0.972 175.460 174.700 -0.353 0.000 1.039 66 T CA 1.471 63.241 62.100 -0.551 0.000 1.142 66 T CB -0.065 68.013 68.868 -1.317 0.000 0.866 66 T HN 0.417 nan 8.240 nan 0.000 0.444 67 F N 1.237 121.133 119.950 -0.091 0.000 2.660 67 F HA 0.591 5.117 4.527 -0.000 0.000 0.302 67 F C 1.255 177.009 175.800 -0.075 0.000 1.103 67 F CA -0.347 57.544 58.000 -0.183 0.000 1.340 67 F CB 0.087 38.990 39.000 -0.162 0.000 1.048 67 F HN 0.393 nan 8.300 nan 0.000 0.551 68 G N -0.713 108.176 108.800 0.148 0.000 2.306 68 G HA2 0.071 4.031 3.960 -0.000 0.000 0.340 68 G HA3 0.071 4.031 3.960 -0.000 0.000 0.340 68 G C -1.855 173.176 174.900 0.218 0.000 1.630 68 G CA -1.324 43.889 45.100 0.188 0.000 0.937 68 G HN -0.121 nan 8.290 nan 0.000 0.693 69 Y N 3.932 124.296 120.300 0.106 0.000 2.677 69 Y HA 0.382 4.932 4.550 -0.000 0.000 0.335 69 Y C -1.124 174.819 175.900 0.070 0.000 1.162 69 Y CA -1.177 56.973 58.100 0.084 0.000 1.483 69 Y CB 1.127 39.634 38.460 0.078 0.000 1.209 69 Y HN 0.342 nan 8.280 nan 0.000 0.528 70 P HA -0.145 nan 4.420 nan 0.000 0.215 70 P C -1.330 175.793 177.300 -0.295 0.000 1.157 70 P CA 1.949 64.912 63.100 -0.229 0.000 0.874 70 P CB -0.606 30.981 31.700 -0.188 0.000 0.790 71 P HA -0.166 nan 4.420 nan 0.000 0.217 71 P C 1.586 178.828 177.300 -0.097 0.000 1.148 71 P CA 0.997 63.915 63.100 -0.303 0.000 0.828 71 P CB -0.406 31.075 31.700 -0.366 0.000 0.783 72 L N -0.515 120.697 121.223 -0.019 0.000 2.131 72 L HA -0.051 4.289 4.340 -0.000 0.000 0.206 72 L C 2.087 178.997 176.870 0.067 0.000 1.087 72 L CA 2.289 57.213 54.840 0.140 0.000 0.767 72 L CB -1.744 40.490 42.059 0.292 0.000 0.917 72 L HN 0.027 nan 8.230 nan 0.000 0.441 73 T N -3.587 110.989 114.554 0.036 0.000 2.904 73 T HA -0.164 4.186 4.350 -0.000 0.000 0.267 73 T C 1.993 176.691 174.700 -0.003 0.000 1.059 73 T CA 1.035 63.151 62.100 0.025 0.000 1.137 73 T CB -0.377 68.515 68.868 0.039 0.000 0.879 73 T HN 0.252 nan 8.240 nan 0.000 0.467 74 K N 0.463 120.849 120.400 -0.025 0.000 1.991 74 K HA -0.074 4.246 4.320 -0.000 0.000 0.212 74 K C 2.232 178.817 176.600 -0.026 0.000 1.049 74 K CA 1.567 57.836 56.287 -0.030 0.000 0.932 74 K CB -0.426 32.044 32.500 -0.050 0.000 0.717 74 K HN 0.314 nan 8.250 nan 0.000 0.441 75 I N 1.633 122.190 120.570 -0.021 0.000 2.394 75 I HA -0.212 3.958 4.170 -0.000 0.000 0.251 75 I C 1.908 177.980 176.117 -0.076 0.000 1.136 75 I CA 1.042 62.321 61.300 -0.036 0.000 1.425 75 I CB -0.107 37.897 38.000 0.006 0.000 1.079 75 I HN 0.164 nan 8.210 nan 0.000 0.425 76 L N 0.068 121.248 121.223 -0.073 0.000 1.976 76 L HA -0.203 4.137 4.340 -0.000 0.000 0.209 76 L C 2.738 179.637 176.870 0.048 0.000 1.071 76 L CA 1.543 56.347 54.840 -0.060 0.000 0.746 76 L CB -1.222 40.733 42.059 -0.173 0.000 0.890 76 L HN 0.266 nan 8.230 nan 0.000 0.432 77 A N -0.114 122.718 122.820 0.020 0.000 1.896 77 A HA -0.346 3.974 4.320 -0.000 0.000 0.220 77 A C 2.546 180.134 177.584 0.006 0.000 1.206 77 A CA 2.833 54.884 52.037 0.024 0.000 0.647 77 A CB -1.026 17.979 19.000 0.007 0.000 0.828 77 A HN 0.529 nan 8.150 nan 0.000 0.455 78 S N -1.851 113.845 115.700 -0.007 0.000 2.338 78 S HA -0.127 4.343 4.470 -0.000 0.000 0.218 78 S C 1.881 176.482 174.600 0.003 0.000 1.032 78 S CA 1.609 59.803 58.200 -0.011 0.000 0.999 78 S CB -0.598 62.593 63.200 -0.016 0.000 0.905 78 S HN 0.509 nan 8.310 nan 0.000 0.439 79 F N 1.520 121.314 119.950 -0.260 0.000 2.075 79 F HA 0.113 4.640 4.527 -0.000 0.000 0.297 79 F C 1.816 177.350 175.800 -0.444 0.000 1.113 79 F CA 0.878 58.620 58.000 -0.431 0.000 1.218 79 F CB -1.084 37.518 39.000 -0.664 0.000 0.984 79 F HN 0.271 nan 8.300 nan 0.000 0.472 80 F N 0.307 120.132 119.950 -0.209 0.000 2.234 80 F HA 0.019 4.546 4.527 -0.000 0.000 0.299 80 F C 2.695 178.393 175.800 -0.170 0.000 1.087 80 F CA 1.157 59.010 58.000 -0.246 0.000 1.340 80 F CB -1.471 37.415 39.000 -0.189 0.000 1.031 80 F HN 0.033 nan 8.300 nan 0.000 0.500 81 G N -0.217 108.585 108.800 0.003 0.000 2.459 81 G HA2 -0.353 3.607 3.960 -0.000 0.000 0.217 81 G HA3 -0.353 3.607 3.960 -0.000 0.000 0.217 81 G C 1.516 176.362 174.900 -0.090 0.000 1.183 81 G CA 1.244 46.299 45.100 -0.075 0.000 0.776 81 G HN 0.364 nan 8.290 nan 0.000 0.552 82 E N 0.348 120.492 120.200 -0.094 0.000 2.110 82 E HA -0.043 4.307 4.350 -0.000 0.000 0.193 82 E C 2.436 178.984 176.600 -0.088 0.000 0.988 82 E CA 0.825 57.178 56.400 -0.079 0.000 0.804 82 E CB -0.409 29.259 29.700 -0.054 0.000 0.745 82 E HN 0.460 nan 8.360 nan 0.000 0.458 83 L N -0.184 120.937 121.223 -0.170 0.000 2.109 83 L HA -0.028 4.312 4.340 -0.000 0.000 0.207 83 L C 2.309 179.164 176.870 -0.024 0.000 1.086 83 L CA 0.701 55.470 54.840 -0.119 0.000 0.760 83 L CB -0.199 41.718 42.059 -0.236 0.000 0.910 83 L HN 0.208 nan 8.230 nan 0.000 0.437 84 L N -0.319 120.898 121.223 -0.010 0.000 2.492 84 L HA 0.095 4.435 4.340 -0.000 0.000 0.223 84 L C 1.171 178.020 176.870 -0.035 0.000 1.132 84 L CA 0.432 55.277 54.840 0.009 0.000 0.850 84 L CB -0.646 41.438 42.059 0.042 0.000 0.966 84 L HN 0.491 nan 8.230 nan 0.000 0.454 85 G N 1.283 110.050 108.800 -0.056 0.000 2.338 85 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.296 85 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.296 85 G C -0.142 174.669 174.900 -0.148 0.000 1.040 85 G CA 0.552 45.606 45.100 -0.076 0.000 1.004 85 G HN 0.436 nan 8.290 nan 0.000 0.509 86 Q N -0.635 119.032 119.800 -0.222 0.000 2.372 86 Q HA 0.601 4.941 4.340 -0.000 0.000 0.273 86 Q C -0.489 175.278 176.000 -0.387 0.000 1.078 86 Q CA -0.872 54.682 55.803 -0.415 0.000 0.806 86 Q CB 1.171 29.464 28.738 -0.741 0.000 1.332 86 Q HN 0.057 nan 8.270 nan 0.000 0.435 87 E N 3.303 123.266 120.200 -0.395 0.000 1.985 87 E HA 0.181 4.530 4.350 -0.000 0.000 0.268 87 E C -0.694 175.707 176.600 -0.331 0.000 1.219 87 E CA 0.286 56.519 56.400 -0.279 0.000 0.942 87 E CB -0.207 29.374 29.700 -0.199 0.000 1.045 87 E HN 0.522 nan 8.360 nan 0.000 0.413 88 I N 2.782 123.219 120.570 -0.223 0.000 2.307 88 I HA 0.093 4.263 4.170 -0.000 0.000 0.289 88 I C 0.386 176.497 176.117 -0.010 0.000 1.021 88 I CA -0.803 60.441 61.300 -0.093 0.000 1.224 88 I CB 1.044 39.028 38.000 -0.025 0.000 1.376 88 I HN 0.202 nan 8.210 nan 0.000 0.470 89 D N 8.784 129.204 120.400 0.033 0.000 2.317 89 D HA 0.198 4.838 4.640 -0.000 0.000 0.252 89 D C -1.716 174.607 176.300 0.037 0.000 1.174 89 D CA -1.659 52.357 54.000 0.027 0.000 0.866 89 D CB 1.508 42.325 40.800 0.030 0.000 1.127 89 D HN 0.206 nan 8.370 nan 0.000 0.467 90 P HA -0.100 nan 4.420 nan 0.000 0.218 90 P C 1.037 178.352 177.300 0.026 0.000 1.149 90 P CA 0.277 63.392 63.100 0.025 0.000 0.817 90 P CB 0.211 31.919 31.700 0.014 0.000 0.785 91 L N -1.072 120.163 121.223 0.021 0.000 2.375 91 L HA 0.112 4.452 4.340 -0.000 0.000 0.215 91 L C 1.832 178.680 176.870 -0.037 0.000 1.108 91 L CA 1.483 56.336 54.840 0.021 0.000 0.830 91 L CB -0.549 41.533 42.059 0.038 0.000 0.959 91 L HN -0.175 nan 8.230 nan 0.000 0.457 92 R N -1.609 118.874 120.500 -0.028 0.000 2.373 92 R HA 0.247 4.587 4.340 -0.000 0.000 0.221 92 R C 0.545 176.817 176.300 -0.048 0.000 0.893 92 R CA 0.152 56.217 56.100 -0.059 0.000 1.049 92 R CB 0.330 30.619 30.300 -0.018 0.000 1.119 92 R HN 0.253 nan 8.270 nan 0.000 0.535 93 N N 0.073 118.780 118.700 0.013 0.000 2.159 93 N HA 0.123 4.863 4.740 -0.000 0.000 0.217 93 N C -0.760 174.777 175.510 0.045 0.000 1.223 93 N CA 0.277 53.371 53.050 0.073 0.000 0.896 93 N CB 2.065 40.732 38.487 0.299 0.000 1.064 93 N HN -0.142 nan 8.380 nan 0.000 0.518 94 V N 1.771 121.689 119.914 0.006 0.000 2.638 94 V HA 0.498 4.618 4.120 -0.000 0.000 0.306 94 V C -1.012 175.080 176.094 -0.003 0.000 1.052 94 V CA -0.909 61.406 62.300 0.025 0.000 0.885 94 V CB 2.641 34.490 31.823 0.045 0.000 0.999 94 V HN -0.057 nan 8.190 nan 0.000 0.424 95 L N 5.554 126.789 121.223 0.019 0.000 2.406 95 L HA 0.725 5.065 4.340 -0.000 0.000 0.272 95 L C -0.628 176.296 176.870 0.090 0.000 0.980 95 L CA -0.144 54.686 54.840 -0.016 0.000 0.831 95 L CB 2.036 44.022 42.059 -0.122 0.000 1.253 95 L HN 0.459 nan 8.230 nan 0.000 0.406 96 V N 3.693 123.673 119.914 0.109 0.000 2.546 96 V HA 0.706 4.826 4.120 -0.000 0.000 0.284 96 V C 0.502 176.706 176.094 0.183 0.000 1.050 96 V CA 0.164 62.596 62.300 0.221 0.000 0.981 96 V CB 1.321 33.303 31.823 0.265 0.000 0.990 96 V HN 0.942 nan 8.190 nan 0.000 0.474 97 T N 0.649 115.341 114.554 0.231 0.000 2.865 97 T HA 0.547 4.896 4.350 -0.000 0.000 0.294 97 T C -0.582 174.253 174.700 0.225 0.000 1.119 97 T CA -0.775 61.471 62.100 0.243 0.000 1.007 97 T CB 1.635 70.615 68.868 0.186 0.000 1.225 97 T HN 0.204 nan 8.240 nan 0.000 0.515 98 V N 2.616 122.666 119.914 0.226 0.000 2.324 98 V HA 0.500 4.620 4.120 -0.000 0.000 0.244 98 V C 1.544 177.731 176.094 0.155 0.000 1.144 98 V CA 0.827 63.235 62.300 0.179 0.000 1.158 98 V CB -1.227 30.689 31.823 0.155 0.000 1.254 98 V HN 1.488 nan 8.190 nan 0.000 0.492 99 G N 4.450 113.326 108.800 0.126 0.000 2.939 99 G HA2 -0.083 3.876 3.960 -0.000 0.000 0.278 99 G HA3 -0.083 3.876 3.960 -0.000 0.000 0.278 99 G C 0.946 175.857 174.900 0.017 0.000 1.487 99 G CA -0.206 44.933 45.100 0.065 0.000 0.935 99 G HN 1.090 nan 8.290 nan 0.000 0.553 100 G N -0.876 107.867 108.800 -0.095 0.000 2.450 100 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.220 100 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.220 100 G C 1.454 176.377 174.900 0.039 0.000 1.130 100 G CA 1.983 47.000 45.100 -0.138 0.000 0.760 100 G HN 0.790 nan 8.290 nan 0.000 0.557 101 Y N 1.402 121.725 120.300 0.038 0.000 2.097 101 Y HA -0.115 4.435 4.550 -0.000 0.000 0.282 101 Y C 2.945 178.957 175.900 0.187 0.000 1.152 101 Y CA 1.780 59.971 58.100 0.152 0.000 1.136 101 Y CB -0.362 38.170 38.460 0.121 0.000 0.975 101 Y HN 0.183 nan 8.280 nan 0.000 0.498 102 G N -0.921 108.095 108.800 0.360 0.000 2.432 102 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.219 102 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.219 102 G C 1.753 176.836 174.900 0.305 0.000 1.135 102 G CA 0.847 46.152 45.100 0.342 0.000 0.767 102 G HN 0.570 nan 8.290 nan 0.000 0.550 103 A N 0.781 123.705 122.820 0.173 0.000 1.858 103 A HA 0.082 4.402 4.320 -0.000 0.000 0.216 103 A C 2.424 180.043 177.584 0.057 0.000 1.190 103 A CA 1.295 53.376 52.037 0.075 0.000 0.617 103 A CB -0.514 18.460 19.000 -0.043 0.000 0.827 103 A HN 0.333 nan 8.150 nan 0.000 0.443 104 L N -1.827 119.446 121.223 0.084 0.000 2.013 104 L HA -0.229 4.111 4.340 -0.000 0.000 0.212 104 L C 2.519 179.564 176.870 0.292 0.000 1.073 104 L CA 2.039 56.958 54.840 0.132 0.000 0.753 104 L CB -0.620 41.589 42.059 0.250 0.000 0.890 104 L HN 0.551 nan 8.230 nan 0.000 0.432 105 F N 0.628 120.691 119.950 0.188 0.000 2.102 105 F HA -0.224 4.303 4.527 -0.000 0.000 0.298 105 F C 2.476 178.380 175.800 0.173 0.000 1.105 105 F CA 2.124 60.253 58.000 0.216 0.000 1.239 105 F CB -0.717 38.396 39.000 0.188 0.000 0.991 105 F HN -0.049 nan 8.300 nan 0.000 0.474 106 T N 1.206 115.779 114.554 0.031 0.000 2.635 106 T HA -0.257 4.093 4.350 -0.000 0.000 0.267 106 T C 2.240 176.845 174.700 -0.158 0.000 1.040 106 T CA 1.912 63.954 62.100 -0.097 0.000 1.156 106 T CB -1.163 67.748 68.868 0.070 0.000 0.863 106 T HN 0.412 nan 8.240 nan 0.000 0.430 107 A N 1.254 123.987 122.820 -0.144 0.000 1.859 107 A HA -0.113 4.207 4.320 -0.000 0.000 0.217 107 A C 2.038 179.449 177.584 -0.289 0.000 1.198 107 A CA 1.881 53.765 52.037 -0.256 0.000 0.629 107 A CB -1.286 17.494 19.000 -0.366 0.000 0.830 107 A HN 0.443 nan 8.150 nan 0.000 0.446 108 F N 0.048 119.890 119.950 -0.180 0.000 2.120 108 F HA -0.231 4.296 4.527 -0.000 0.000 0.300 108 F C 2.800 178.464 175.800 -0.225 0.000 1.095 108 F CA 1.854 59.746 58.000 -0.179 0.000 1.249 108 F CB -0.396 38.530 39.000 -0.123 0.000 0.995 108 F HN 0.232 nan 8.300 nan 0.000 0.480 109 Q N -0.338 119.352 119.800 -0.183 0.000 2.291 109 Q HA -0.068 4.272 4.340 -0.000 0.000 0.205 109 Q C 2.418 178.321 176.000 -0.161 0.000 0.970 109 Q CA 1.198 56.853 55.803 -0.247 0.000 0.876 109 Q CB -0.598 27.854 28.738 -0.477 0.000 0.935 109 Q HN 0.465 nan 8.270 nan 0.000 0.455 110 A N -0.045 122.682 122.820 -0.154 0.000 1.935 110 A HA 0.010 4.330 4.320 -0.000 0.000 0.214 110 A C 1.946 179.438 177.584 -0.153 0.000 1.178 110 A CA 0.737 52.702 52.037 -0.121 0.000 0.640 110 A CB -0.077 18.870 19.000 -0.089 0.000 0.825 110 A HN 0.292 nan 8.150 nan 0.000 0.447 111 L N -1.080 120.051 121.223 -0.153 0.000 2.609 111 L HA 0.194 4.534 4.340 -0.000 0.000 0.230 111 L C -0.196 176.603 176.870 -0.118 0.000 1.064 111 L CA -0.029 54.715 54.840 -0.161 0.000 0.873 111 L CB 0.403 42.350 42.059 -0.186 0.000 1.139 111 L HN 0.011 nan 8.230 nan 0.000 0.490 112 V N 0.805 120.677 119.914 -0.070 0.000 2.439 112 V HA 0.354 4.474 4.120 -0.000 0.000 0.282 112 V C -0.791 175.280 176.094 -0.037 0.000 1.039 112 V CA -0.284 61.998 62.300 -0.029 0.000 0.913 112 V CB 1.683 33.543 31.823 0.062 0.000 0.983 112 V HN 0.056 nan 8.190 nan 0.000 0.460 113 D N 1.836 122.211 120.400 -0.042 0.000 2.552 113 D HA 0.298 4.938 4.640 -0.000 0.000 0.239 113 D C -0.495 175.785 176.300 -0.033 0.000 1.139 113 D CA -0.770 53.206 54.000 -0.041 0.000 0.914 113 D CB 2.228 42.996 40.800 -0.052 0.000 1.461 113 D HN 0.580 nan 8.370 nan 0.000 0.462 114 E N 0.062 120.246 120.200 -0.027 0.000 2.729 114 E HA 0.303 4.653 4.350 -0.000 0.000 0.246 114 E C 0.939 177.523 176.600 -0.026 0.000 0.984 114 E CA 1.879 58.266 56.400 -0.023 0.000 0.951 114 E CB -0.308 29.382 29.700 -0.016 0.000 0.914 114 E HN 0.641 nan 8.360 nan 0.000 0.509 115 G N 4.143 112.926 108.800 -0.029 0.000 2.376 115 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.208 115 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.208 115 G C -0.312 174.563 174.900 -0.042 0.000 1.032 115 G CA -0.139 44.943 45.100 -0.031 0.000 0.641 115 G HN 0.596 nan 8.290 nan 0.000 0.503 116 D N 2.182 122.554 120.400 -0.047 0.000 2.414 116 D HA 0.476 5.116 4.640 -0.000 0.000 0.242 116 D C 0.545 176.798 176.300 -0.077 0.000 1.129 116 D CA 0.438 54.403 54.000 -0.058 0.000 0.885 116 D CB 0.923 41.689 40.800 -0.057 0.000 1.198 116 D HN 0.591 nan 8.370 nan 0.000 0.437 117 E N 0.094 120.234 120.200 -0.099 0.000 2.214 117 E HA 0.533 4.882 4.350 -0.000 0.000 0.274 117 E C -0.814 175.684 176.600 -0.169 0.000 0.977 117 E CA -0.943 55.372 56.400 -0.142 0.000 0.827 117 E CB 2.102 31.710 29.700 -0.154 0.000 1.130 117 E HN 0.045 nan 8.360 nan 0.000 0.394 118 V N 3.691 123.478 119.914 -0.212 0.000 2.482 118 V HA 0.285 4.405 4.120 -0.000 0.000 0.295 118 V C -0.375 175.530 176.094 -0.314 0.000 1.026 118 V CA -0.601 61.574 62.300 -0.209 0.000 0.856 118 V CB 1.350 33.116 31.823 -0.096 0.000 1.001 118 V HN 0.591 nan 8.190 nan 0.000 0.424 119 I N 6.073 126.440 120.570 -0.337 0.000 2.396 119 I HA 0.363 4.533 4.170 -0.000 0.000 0.289 119 I C -0.303 175.638 176.117 -0.293 0.000 1.056 119 I CA 0.221 61.300 61.300 -0.369 0.000 1.365 119 I CB 0.701 38.426 38.000 -0.458 0.000 1.407 119 I HN 0.421 nan 8.210 nan 0.000 0.509 120 I N 7.465 127.838 120.570 -0.328 0.000 2.433 120 I HA 0.412 4.582 4.170 -0.000 0.000 0.292 120 I C -0.336 175.768 176.117 -0.021 0.000 1.001 120 I CA -0.613 60.550 61.300 -0.228 0.000 1.119 120 I CB 2.017 39.723 38.000 -0.491 0.000 1.289 120 I HN 0.388 nan 8.210 nan 0.000 0.438 121 I N 5.892 126.533 120.570 0.119 0.000 2.321 121 I HA 0.245 4.415 4.170 -0.000 0.000 0.291 121 I C 0.034 176.325 176.117 0.290 0.000 0.998 121 I CA -0.484 60.941 61.300 0.209 0.000 1.227 121 I CB 1.029 39.162 38.000 0.221 0.000 1.368 121 I HN 0.549 nan 8.210 nan 0.000 0.466 122 E N 7.861 128.223 120.200 0.269 0.000 2.319 122 E HA 0.294 4.644 4.350 -0.000 0.000 0.268 122 E C -2.348 174.209 176.600 -0.071 0.000 1.050 122 E CA -1.909 54.526 56.400 0.058 0.000 0.878 122 E CB 0.421 30.064 29.700 -0.095 0.000 1.066 122 E HN 0.312 nan 8.360 nan 0.000 0.406 123 P HA -0.010 nan 4.420 nan 0.000 0.271 123 P C -1.047 176.137 177.300 -0.193 0.000 1.216 123 P CA 0.145 62.868 63.100 -0.628 0.000 0.771 123 P CB 0.082 31.446 31.700 -0.561 0.000 0.864 124 F N 1.768 121.634 119.950 -0.139 0.000 2.495 124 F HA 0.554 5.081 4.527 -0.000 0.000 0.327 124 F C -0.270 175.580 175.800 0.084 0.000 1.103 124 F CA -2.088 55.939 58.000 0.045 0.000 0.949 124 F CB 0.537 39.650 39.000 0.189 0.000 1.142 124 F HN 0.092 nan 8.300 nan 0.000 0.457 125 F N 5.041 124.919 119.950 -0.119 0.000 2.604 125 F HA 0.002 4.529 4.527 -0.000 0.000 0.393 125 F C 1.595 177.289 175.800 -0.177 0.000 1.043 125 F CA -0.352 57.524 58.000 -0.206 0.000 1.227 125 F CB 0.362 39.058 39.000 -0.507 0.000 1.016 125 F HN 0.739 nan 8.300 nan 0.000 0.556 126 D N 3.817 123.913 120.400 -0.507 0.000 2.219 126 D HA -0.211 4.429 4.640 -0.000 0.000 0.205 126 D C 2.201 178.405 176.300 -0.161 0.000 0.970 126 D CA 1.374 55.185 54.000 -0.315 0.000 0.851 126 D CB -1.264 39.287 40.800 -0.414 0.000 0.943 126 D HN 0.631 nan 8.370 nan 0.000 0.488 127 C N -0.185 118.805 119.300 -0.516 0.000 2.472 127 C HA 0.009 4.469 4.460 -0.000 0.000 0.278 127 C C 2.416 177.371 174.990 -0.059 0.000 1.447 127 C CA -0.433 58.434 59.018 -0.251 0.000 1.773 127 C CB -1.684 25.818 27.740 -0.396 0.000 1.793 127 C HN 0.085 nan 8.230 nan 0.000 0.544 128 Y N 2.157 122.477 120.300 0.033 0.000 2.207 128 Y HA -0.106 4.444 4.550 -0.000 0.000 0.287 128 Y C 2.647 178.356 175.900 -0.318 0.000 1.156 128 Y CA 1.724 59.762 58.100 -0.103 0.000 1.182 128 Y CB -1.148 37.330 38.460 0.031 0.000 0.979 128 Y HN 0.573 nan 8.280 nan 0.000 0.521 129 E N 0.265 120.452 120.200 -0.022 0.000 2.016 129 E HA -0.133 4.217 4.350 -0.000 0.000 0.190 129 E C -0.681 175.865 176.600 -0.089 0.000 0.985 129 E CA 1.102 57.449 56.400 -0.088 0.000 0.802 129 E CB -0.786 28.974 29.700 0.100 0.000 0.762 129 E HN 0.207 nan 8.360 nan 0.000 0.448 130 P HA -0.151 nan 4.420 nan 0.000 0.219 130 P C 1.427 178.666 177.300 -0.103 0.000 1.146 130 P CA 1.449 64.531 63.100 -0.029 0.000 0.808 130 P CB -0.137 31.576 31.700 0.023 0.000 0.779 131 M N -1.382 118.076 119.600 -0.238 0.000 2.156 131 M HA -0.093 4.387 4.480 -0.000 0.000 0.264 131 M C 2.059 178.086 176.300 -0.455 0.000 1.067 131 M CA 1.807 56.905 55.300 -0.337 0.000 1.131 131 M CB -1.134 31.114 32.600 -0.587 0.000 1.368 131 M HN -0.082 nan 8.290 nan 0.000 0.416 132 T N 0.709 114.877 114.554 -0.644 0.000 2.635 132 T HA -0.197 4.153 4.350 -0.000 0.000 0.267 132 T C 1.749 176.356 174.700 -0.154 0.000 1.040 132 T CA 1.505 63.396 62.100 -0.348 0.000 1.156 132 T CB -0.199 68.495 68.868 -0.288 0.000 0.863 132 T HN 0.367 nan 8.240 nan 0.000 0.430 133 M N 0.143 119.668 119.600 -0.126 0.000 2.117 133 M HA -0.030 4.450 4.480 -0.000 0.000 0.262 133 M C 2.475 178.760 176.300 -0.024 0.000 1.065 133 M CA 1.510 56.778 55.300 -0.054 0.000 1.114 133 M CB -0.410 32.176 32.600 -0.023 0.000 1.361 133 M HN 0.234 nan 8.290 nan 0.000 0.408 134 M N -0.336 119.256 119.600 -0.013 0.000 2.358 134 M HA -0.126 4.354 4.480 -0.000 0.000 0.264 134 M C 1.626 177.943 176.300 0.028 0.000 1.064 134 M CA 1.421 56.741 55.300 0.033 0.000 1.093 134 M CB -0.015 32.638 32.600 0.088 0.000 1.401 134 M HN 0.260 nan 8.290 nan 0.000 0.440 135 A N -1.089 121.731 122.820 -0.001 0.000 2.308 135 A HA 0.419 4.739 4.320 -0.000 0.000 0.217 135 A C 1.508 179.086 177.584 -0.010 0.000 1.216 135 A CA 0.635 52.671 52.037 -0.001 0.000 0.864 135 A CB -0.316 18.689 19.000 0.009 0.000 0.902 135 A HN 0.679 nan 8.150 nan 0.000 0.499 136 G N -1.792 107.000 108.800 -0.014 0.000 2.175 136 G HA2 -0.045 3.914 3.960 -0.000 0.000 0.244 136 G HA3 -0.045 3.914 3.960 -0.000 0.000 0.244 136 G C 0.769 175.652 174.900 -0.028 0.000 0.982 136 G CA 0.273 45.364 45.100 -0.016 0.000 0.641 136 G HN 1.305 nan 8.290 nan 0.000 0.527 137 G N -0.806 107.971 108.800 -0.038 0.000 2.563 137 G HA2 0.580 4.540 3.960 -0.000 0.000 0.283 137 G HA3 0.580 4.540 3.960 -0.000 0.000 0.283 137 G C -0.118 174.740 174.900 -0.070 0.000 1.309 137 G CA -0.659 44.409 45.100 -0.053 0.000 1.022 137 G HN 0.362 nan 8.290 nan 0.000 0.501 138 R N 0.612 121.055 120.500 -0.096 0.000 2.435 138 R HA 0.272 4.612 4.340 -0.000 0.000 0.308 138 R C -2.718 173.464 176.300 -0.197 0.000 0.975 138 R CA -1.466 54.569 56.100 -0.109 0.000 0.867 138 R CB 2.308 32.558 30.300 -0.083 0.000 1.171 138 R HN 0.302 nan 8.270 nan 0.000 0.470 139 P HA 0.065 nan 4.420 nan 0.000 0.268 139 P C -0.608 176.303 177.300 -0.649 0.000 1.205 139 P CA -0.193 62.567 63.100 -0.568 0.000 0.771 139 P CB 0.833 32.092 31.700 -0.735 0.000 0.858 140 V N 4.511 124.013 119.914 -0.687 0.000 2.487 140 V HA 0.394 4.514 4.120 -0.000 0.000 0.298 140 V C -0.262 175.480 176.094 -0.586 0.000 1.028 140 V CA -0.392 61.620 62.300 -0.479 0.000 0.860 140 V CB 0.809 32.459 31.823 -0.288 0.000 0.991 140 V HN 0.335 nan 8.190 nan 0.000 0.427 141 F N 3.646 123.553 119.950 -0.072 0.000 2.397 141 F HA 0.751 5.277 4.527 -0.000 0.000 0.331 141 F C 0.215 176.055 175.800 0.066 0.000 1.090 141 F CA -0.674 57.314 58.000 -0.020 0.000 1.065 141 F CB 1.815 40.805 39.000 -0.016 0.000 1.184 141 F HN 0.301 nan 8.300 nan 0.000 0.499 142 V N 1.385 121.467 119.914 0.281 0.000 2.925 142 V HA 0.632 4.752 4.120 -0.000 0.000 0.311 142 V C -1.041 175.232 176.094 0.298 0.000 1.104 142 V CA -0.423 62.033 62.300 0.260 0.000 0.954 142 V CB 2.410 34.333 31.823 0.167 0.000 1.022 142 V HN 0.755 nan 8.190 nan 0.000 0.427 143 S N 6.110 121.986 115.700 0.293 0.000 2.451 143 S HA 0.630 5.099 4.470 -0.000 0.000 0.301 143 S C -0.505 174.255 174.600 0.267 0.000 1.116 143 S CA -0.517 57.852 58.200 0.282 0.000 1.093 143 S CB 1.330 64.707 63.200 0.296 0.000 1.017 143 S HN 0.668 nan 8.310 nan 0.000 0.482 144 L N 3.030 124.431 121.223 0.296 0.000 2.462 144 L HA 0.234 4.574 4.340 -0.000 0.000 0.272 144 L C 0.212 177.299 176.870 0.361 0.000 1.166 144 L CA 0.134 55.187 54.840 0.355 0.000 0.880 144 L CB 0.036 42.371 42.059 0.460 0.000 1.142 144 L HN 0.447 nan 8.230 nan 0.000 0.473 145 K N 5.385 125.880 120.400 0.159 0.000 2.274 145 K HA 0.416 4.736 4.320 -0.000 0.000 0.262 145 K C -2.395 173.980 176.600 -0.376 0.000 0.961 145 K CA -1.633 54.633 56.287 -0.034 0.000 0.833 145 K CB 1.591 34.123 32.500 0.053 0.000 1.102 145 K HN 0.186 nan 8.250 nan 0.000 0.436 146 P HA 0.060 nan 4.420 nan 0.000 0.271 146 P C -0.006 177.067 177.300 -0.377 0.000 1.218 146 P CA -0.314 62.156 63.100 -1.050 0.000 0.780 146 P CB 0.907 31.923 31.700 -1.140 0.000 0.901 147 G N 3.171 111.845 108.800 -0.210 0.000 2.653 147 G HA2 0.455 4.415 3.960 -0.000 0.000 0.265 147 G HA3 0.455 4.415 3.960 -0.000 0.000 0.265 147 G C -2.010 172.855 174.900 -0.059 0.000 1.237 147 G CA -0.666 44.384 45.100 -0.084 0.000 0.946 147 G HN 0.409 nan 8.290 nan 0.000 0.522 153 E N -1.872 118.349 120.200 0.035 0.000 1.920 153 E HA 0.008 4.358 4.350 -0.000 0.000 0.250 153 E C -0.100 176.537 176.600 0.061 0.000 1.075 153 E CA -0.163 56.260 56.400 0.039 0.000 1.683 153 E CB -0.125 29.589 29.700 0.024 0.000 3.768 153 E HN 0.334 nan 8.360 nan 0.000 0.959 154 L N 2.878 124.136 121.223 0.058 0.000 2.513 154 L HA 0.216 4.556 4.340 -0.000 0.000 0.272 154 L C 1.074 178.002 176.870 0.096 0.000 1.187 154 L CA 0.700 55.585 54.840 0.074 0.000 0.895 154 L CB 0.555 42.645 42.059 0.051 0.000 1.147 154 L HN 0.250 nan 8.230 nan 0.000 0.483 155 G N 2.149 111.032 108.800 0.138 0.000 2.543 155 G HA2 0.387 4.347 3.960 -0.000 0.000 0.290 155 G HA3 0.387 4.347 3.960 -0.000 0.000 0.290 155 G C -0.768 174.226 174.900 0.158 0.000 1.310 155 G CA -0.280 44.924 45.100 0.173 0.000 1.025 155 G HN 0.508 nan 8.290 nan 0.000 0.502 156 S N -1.942 113.874 115.700 0.193 0.000 2.575 156 S HA 0.426 4.896 4.470 -0.000 0.000 0.278 156 S C 1.065 175.786 174.600 0.202 0.000 1.139 156 S CA -0.324 57.968 58.200 0.153 0.000 0.954 156 S CB 1.746 65.019 63.200 0.122 0.000 1.054 156 S HN 0.432 nan 8.310 nan 0.000 0.483 157 S N 2.434 118.173 115.700 0.065 0.000 2.383 157 S HA -0.117 4.353 4.470 -0.000 0.000 0.229 157 S C 1.974 176.597 174.600 0.039 0.000 1.030 157 S CA 1.881 60.043 58.200 -0.064 0.000 1.002 157 S CB -0.301 62.813 63.200 -0.144 0.000 0.829 157 S HN 0.926 nan 8.310 nan 0.000 0.467 158 S N 1.677 117.392 115.700 0.024 0.000 2.515 158 S HA 0.082 4.552 4.470 -0.000 0.000 0.231 158 S C 1.192 175.839 174.600 0.078 0.000 0.987 158 S CA 0.390 58.587 58.200 -0.005 0.000 0.936 158 S CB -0.259 62.908 63.200 -0.055 0.000 0.766 158 S HN 0.375 nan 8.310 nan 0.000 0.528 159 N N 0.288 119.092 118.700 0.174 0.000 2.412 159 N HA 0.102 4.842 4.740 -0.000 0.000 0.184 159 N C -0.845 174.770 175.510 0.175 0.000 1.101 159 N CA 0.148 53.290 53.050 0.154 0.000 0.881 159 N CB -0.191 38.371 38.487 0.124 0.000 0.969 159 N HN 0.507 nan 8.380 nan 0.000 0.459 160 W N 2.557 123.842 121.300 -0.025 0.000 2.446 160 W HA 0.226 4.886 4.660 -0.000 0.000 0.316 160 W C 0.457 176.946 176.519 -0.049 0.000 1.376 160 W CA -0.191 57.146 57.345 -0.013 0.000 1.300 160 W CB 0.421 29.866 29.460 -0.024 0.000 1.351 160 W HN -0.189 nan 8.180 nan 0.000 0.530 161 Q N 3.053 122.920 119.800 0.112 0.000 2.245 161 Q HA 0.324 4.664 4.340 -0.000 0.000 0.256 161 Q C -0.830 175.214 176.000 0.073 0.000 0.942 161 Q CA -1.337 54.497 55.803 0.051 0.000 0.896 161 Q CB 2.360 31.113 28.738 0.024 0.000 1.272 161 Q HN 0.343 nan 8.270 nan 0.000 0.442 162 L N 3.661 124.908 121.223 0.040 0.000 2.315 162 L HA 0.143 4.483 4.340 -0.000 0.000 0.278 162 L C -0.061 176.862 176.870 0.087 0.000 1.088 162 L CA -0.001 54.892 54.840 0.088 0.000 0.899 162 L CB 0.104 42.219 42.059 0.093 0.000 1.277 162 L HN 0.497 nan 8.230 nan 0.000 0.431 163 D N 6.438 126.894 120.400 0.094 0.000 2.426 163 D HA -0.024 4.616 4.640 -0.000 0.000 0.261 163 D C -1.632 174.721 176.300 0.089 0.000 1.245 163 D CA -0.900 53.149 54.000 0.080 0.000 0.917 163 D CB 1.566 42.414 40.800 0.081 0.000 1.123 163 D HN 0.378 nan 8.370 nan 0.000 0.508 164 P HA -0.160 nan 4.420 nan 0.000 0.216 164 P C 1.617 178.967 177.300 0.083 0.000 1.150 164 P CA 0.946 64.093 63.100 0.078 0.000 0.837 164 P CB 0.103 31.837 31.700 0.055 0.000 0.786 165 M N -0.807 118.837 119.600 0.072 0.000 2.156 165 M HA -0.161 4.318 4.480 -0.000 0.000 0.264 165 M C 2.103 178.458 176.300 0.091 0.000 1.067 165 M CA 1.782 57.125 55.300 0.072 0.000 1.131 165 M CB -0.334 32.300 32.600 0.057 0.000 1.368 165 M HN -0.131 nan 8.290 nan 0.000 0.416 166 E N 0.107 120.365 120.200 0.096 0.000 2.051 166 E HA -0.252 4.098 4.350 -0.000 0.000 0.192 166 E C 1.877 178.557 176.600 0.135 0.000 0.991 166 E CA 1.400 57.866 56.400 0.109 0.000 0.799 166 E CB -0.145 29.623 29.700 0.112 0.000 0.748 166 E HN 0.387 nan 8.360 nan 0.000 0.449 167 L N 0.893 122.209 121.223 0.154 0.000 1.989 167 L HA -0.168 4.172 4.340 -0.000 0.000 0.211 167 L C 2.216 179.270 176.870 0.307 0.000 1.071 167 L CA 2.359 57.326 54.840 0.211 0.000 0.749 167 L CB -0.930 41.262 42.059 0.223 0.000 0.890 167 L HN 0.097 nan 8.230 nan 0.000 0.431 168 A N -0.415 122.545 122.820 0.233 0.000 1.917 168 A HA -0.177 4.143 4.320 -0.000 0.000 0.219 168 A C 2.357 180.080 177.584 0.232 0.000 1.182 168 A CA 1.866 54.025 52.037 0.203 0.000 0.633 168 A CB -1.745 17.313 19.000 0.096 0.000 0.819 168 A HN 0.591 nan 8.150 nan 0.000 0.448 169 G N -0.460 108.438 108.800 0.163 0.000 2.450 169 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.220 169 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.220 169 G C 1.502 176.462 174.900 0.101 0.000 1.130 169 G CA 1.112 46.285 45.100 0.121 0.000 0.760 169 G HN 0.424 nan 8.290 nan 0.000 0.557 170 K N 0.248 120.704 120.400 0.093 0.000 2.209 170 K HA 0.005 4.325 4.320 -0.000 0.000 0.204 170 K C 0.436 176.941 176.600 -0.159 0.000 1.048 170 K CA 0.057 56.314 56.287 -0.050 0.000 0.940 170 K CB -0.488 31.928 32.500 -0.141 0.000 0.729 170 K HN 0.398 nan 8.250 nan 0.000 0.451 171 F N 1.653 121.501 119.950 -0.171 0.000 2.506 171 F HA 0.014 4.541 4.527 -0.000 0.000 0.371 171 F C 1.506 177.152 175.800 -0.257 0.000 1.078 171 F CA -0.128 57.678 58.000 -0.323 0.000 1.195 171 F CB 0.501 39.059 39.000 -0.737 0.000 1.099 171 F HN -0.067 nan 8.300 nan 0.000 0.548 172 T N -1.780 112.744 114.554 -0.049 0.000 2.762 172 T HA 0.282 4.632 4.350 -0.000 0.000 0.272 172 T C 1.037 175.764 174.700 0.046 0.000 0.982 172 T CA -0.089 62.014 62.100 0.006 0.000 1.013 172 T CB 1.207 70.071 68.868 -0.007 0.000 1.309 172 T HN 0.433 nan 8.240 nan 0.000 0.572 173 S N -0.782 114.954 115.700 0.061 0.000 2.561 173 S HA 0.071 4.541 4.470 -0.000 0.000 0.225 173 S C 1.611 176.230 174.600 0.033 0.000 0.977 173 S CA -0.062 58.180 58.200 0.070 0.000 0.926 173 S CB -0.489 62.745 63.200 0.057 0.000 0.769 173 S HN 0.685 nan 8.310 nan 0.000 0.533 174 R N 1.111 121.613 120.500 0.003 0.000 2.317 174 R HA 0.160 4.500 4.340 -0.000 0.000 0.208 174 R C -0.260 176.012 176.300 -0.047 0.000 0.914 174 R CA 0.135 56.222 56.100 -0.021 0.000 1.060 174 R CB 0.069 30.352 30.300 -0.030 0.000 1.015 174 R HN 0.296 nan 8.270 nan 0.000 0.498 175 T N 1.251 115.775 114.554 -0.051 0.000 2.761 175 T HA 0.018 4.368 4.350 -0.000 0.000 0.287 175 T C 0.922 175.591 174.700 -0.052 0.000 0.931 175 T CA 0.231 62.274 62.100 -0.095 0.000 1.164 175 T CB 1.403 70.197 68.868 -0.124 0.000 0.876 175 T HN 0.130 nan 8.240 nan 0.000 0.534 176 K N 2.562 122.915 120.400 -0.079 0.000 2.128 176 K HA 0.370 4.690 4.320 -0.000 0.000 0.202 176 K C 0.597 177.145 176.600 -0.087 0.000 1.050 176 K CA 0.470 56.715 56.287 -0.071 0.000 0.966 176 K CB 0.340 32.791 32.500 -0.081 0.000 0.759 176 K HN 0.704 nan 8.250 nan 0.000 0.454 177 A N 0.415 123.160 122.820 -0.125 0.000 2.572 177 A HA 0.568 4.888 4.320 -0.000 0.000 0.295 177 A C -1.945 175.528 177.584 -0.185 0.000 1.072 177 A CA -0.809 51.135 52.037 -0.156 0.000 0.691 177 A CB 1.224 20.094 19.000 -0.217 0.000 1.291 177 A HN 0.226 nan 8.150 nan 0.000 0.404 178 L N 1.925 123.044 121.223 -0.173 0.000 2.362 178 L HA 0.758 5.098 4.340 -0.000 0.000 0.275 178 L C -1.358 175.379 176.870 -0.221 0.000 0.998 178 L CA -0.790 53.938 54.840 -0.188 0.000 0.820 178 L CB 1.878 43.873 42.059 -0.106 0.000 1.270 178 L HN 0.465 nan 8.230 nan 0.000 0.415 179 V N 5.861 125.627 119.914 -0.247 0.000 2.348 179 V HA 0.292 4.412 4.120 -0.000 0.000 0.270 179 V C -0.140 175.788 176.094 -0.276 0.000 1.037 179 V CA -0.398 61.695 62.300 -0.344 0.000 0.872 179 V CB 1.136 32.654 31.823 -0.508 0.000 1.002 179 V HN 0.548 nan 8.190 nan 0.000 0.464 180 L N 5.702 126.755 121.223 -0.284 0.000 2.296 180 L HA 0.538 4.878 4.340 -0.000 0.000 0.286 180 L C -0.135 176.570 176.870 -0.274 0.000 1.023 180 L CA 0.148 54.806 54.840 -0.304 0.000 0.812 180 L CB 1.377 43.229 42.059 -0.346 0.000 1.223 180 L HN 0.725 nan 8.230 nan 0.000 0.421 181 N N 3.150 121.715 118.700 -0.225 0.000 2.483 181 N HA 0.394 5.134 4.740 -0.000 0.000 0.267 181 N C -1.555 173.895 175.510 -0.101 0.000 0.998 181 N CA -0.141 52.870 53.050 -0.065 0.000 0.918 181 N CB 1.129 39.731 38.487 0.192 0.000 1.215 181 N HN 0.671 nan 8.380 nan 0.000 0.500 182 T N 3.276 117.789 114.554 -0.068 0.000 3.032 182 T HA 0.424 4.774 4.350 -0.000 0.000 0.312 182 T C -2.909 171.894 174.700 0.173 0.000 1.078 182 T CA -1.272 60.847 62.100 0.032 0.000 1.028 182 T CB 1.578 70.391 68.868 -0.093 0.000 1.091 182 T HN 0.293 nan 8.240 nan 0.000 0.457 183 P HA 0.134 nan 4.420 nan 0.000 0.268 183 P C -0.568 176.816 177.300 0.141 0.000 1.208 183 P CA -0.379 62.814 63.100 0.155 0.000 0.777 183 P CB 0.423 32.181 31.700 0.096 0.000 0.875 184 N N 2.727 121.494 118.700 0.111 0.000 2.488 184 N HA 0.014 4.754 4.740 -0.000 0.000 0.274 184 N C -0.613 174.877 175.510 -0.034 0.000 1.111 184 N CA -0.004 53.088 53.050 0.070 0.000 0.974 184 N CB -0.045 38.497 38.487 0.092 0.000 1.089 184 N HN 0.247 nan 8.380 nan 0.000 0.465 185 N N 4.198 122.873 118.700 -0.041 0.000 2.422 185 N HA 0.298 5.038 4.740 -0.000 0.000 0.266 185 N C -2.063 173.183 175.510 -0.440 0.000 1.007 185 N CA -1.941 50.976 53.050 -0.223 0.000 0.941 185 N CB 1.431 39.873 38.487 -0.075 0.000 1.115 185 N HN 0.438 nan 8.380 nan 0.000 0.492 186 P HA 0.056 nan 4.420 nan 0.000 0.275 186 P C 1.122 178.171 177.300 -0.418 0.000 1.310 186 P CA -0.140 62.501 63.100 -0.765 0.000 0.904 186 P CB 0.666 31.684 31.700 -1.137 0.000 1.381 187 L N 0.959 121.943 121.223 -0.397 0.000 2.109 187 L HA 0.252 4.592 4.340 -0.000 0.000 0.207 187 L C 1.641 178.371 176.870 -0.234 0.000 1.086 187 L CA 2.328 56.912 54.840 -0.425 0.000 0.760 187 L CB -1.497 40.217 42.059 -0.575 0.000 0.910 187 L HN 0.288 nan 8.230 nan 0.000 0.437 188 G N -0.268 108.462 108.800 -0.117 0.000 2.143 188 G HA2 -0.353 3.607 3.960 -0.000 0.000 0.248 188 G HA3 -0.353 3.607 3.960 -0.000 0.000 0.248 188 G C 0.597 175.475 174.900 -0.036 0.000 0.991 188 G CA 0.492 45.581 45.100 -0.018 0.000 0.689 188 G HN 0.443 nan 8.290 nan 0.000 0.522 189 K N 0.286 120.642 120.400 -0.074 0.000 2.451 189 K HA 0.350 4.670 4.320 -0.000 0.000 0.280 189 K C 0.096 176.739 176.600 0.071 0.000 1.020 189 K CA -0.027 56.235 56.287 -0.041 0.000 1.008 189 K CB 0.501 32.977 32.500 -0.040 0.000 0.917 189 K HN 0.039 nan 8.250 nan 0.000 0.478 190 V N 6.581 126.498 119.914 0.004 0.000 2.313 190 V HA 0.167 4.287 4.120 -0.000 0.000 0.278 190 V C -0.398 175.756 176.094 0.100 0.000 1.017 190 V CA -0.752 61.593 62.300 0.075 0.000 0.823 190 V CB 0.339 32.154 31.823 -0.013 0.000 1.010 190 V HN 0.585 nan 8.190 nan 0.000 0.443 191 F N 4.123 124.051 119.950 -0.036 0.000 2.612 191 F HA 0.078 4.605 4.527 -0.000 0.000 0.389 191 F C 1.469 177.253 175.800 -0.026 0.000 1.055 191 F CA 0.587 58.572 58.000 -0.024 0.000 1.232 191 F CB 0.540 39.525 39.000 -0.025 0.000 1.044 191 F HN 0.640 nan 8.300 nan 0.000 0.560 192 S N 4.671 120.395 115.700 0.041 0.000 2.596 192 S HA 0.139 4.609 4.470 -0.000 0.000 0.260 192 S C 1.553 176.195 174.600 0.071 0.000 1.336 192 S CA -0.388 57.841 58.200 0.049 0.000 0.993 192 S CB 0.786 63.997 63.200 0.018 0.000 0.923 192 S HN 0.790 nan 8.310 nan 0.000 0.567 193 R N 0.462 120.993 120.500 0.052 0.000 2.066 193 R HA -0.093 4.247 4.340 -0.000 0.000 0.232 193 R C 2.321 178.650 176.300 0.048 0.000 1.131 193 R CA 1.702 57.828 56.100 0.043 0.000 0.955 193 R CB -0.630 29.689 30.300 0.031 0.000 0.851 193 R HN 0.911 nan 8.270 nan 0.000 0.432 194 E N 0.285 120.509 120.200 0.041 0.000 2.070 194 E HA -0.262 4.087 4.350 -0.000 0.000 0.197 194 E C 1.809 178.442 176.600 0.054 0.000 1.004 194 E CA 1.973 58.396 56.400 0.039 0.000 0.805 194 E CB 0.034 29.752 29.700 0.029 0.000 0.744 194 E HN 0.480 nan 8.360 nan 0.000 0.451 195 E N 0.247 120.484 120.200 0.062 0.000 2.031 195 E HA -0.199 4.151 4.350 -0.000 0.000 0.193 195 E C 2.297 179.014 176.600 0.195 0.000 0.994 195 E CA 1.092 57.555 56.400 0.105 0.000 0.800 195 E CB -0.115 29.597 29.700 0.020 0.000 0.752 195 E HN 0.265 nan 8.360 nan 0.000 0.447 196 L N 0.822 122.163 121.223 0.196 0.000 2.043 196 L HA -0.264 4.076 4.340 -0.000 0.000 0.212 196 L C 2.396 179.314 176.870 0.079 0.000 1.075 196 L CA 1.449 56.369 54.840 0.132 0.000 0.752 196 L CB -0.482 41.622 42.059 0.075 0.000 0.891 196 L HN 0.173 nan 8.230 nan 0.000 0.432 197 E N -0.127 120.111 120.200 0.063 0.000 2.106 197 E HA -0.240 4.110 4.350 -0.000 0.000 0.192 197 E C 2.037 178.661 176.600 0.040 0.000 0.984 197 E CA 0.929 57.353 56.400 0.040 0.000 0.806 197 E CB -0.092 29.627 29.700 0.031 0.000 0.750 197 E HN 0.265 nan 8.360 nan 0.000 0.458 198 L N 0.551 121.809 121.223 0.058 0.000 1.970 198 L HA -0.202 4.138 4.340 -0.000 0.000 0.212 198 L C 2.161 179.067 176.870 0.060 0.000 1.071 198 L CA 1.700 56.575 54.840 0.058 0.000 0.751 198 L CB -0.683 41.425 42.059 0.082 0.000 0.889 198 L HN -0.034 nan 8.230 nan 0.000 0.432 199 V N 0.382 120.356 119.914 0.101 0.000 2.295 199 V HA -0.290 3.830 4.120 -0.000 0.000 0.246 199 V C 2.871 179.000 176.094 0.059 0.000 1.049 199 V CA 1.729 64.096 62.300 0.112 0.000 1.024 199 V CB -1.597 30.302 31.823 0.127 0.000 0.648 199 V HN 0.661 nan 8.190 nan 0.000 0.447 200 A N -0.301 122.542 122.820 0.038 0.000 1.892 200 A HA -0.305 4.015 4.320 -0.000 0.000 0.218 200 A C 2.578 180.158 177.584 -0.006 0.000 1.188 200 A CA 2.591 54.637 52.037 0.016 0.000 0.631 200 A CB -1.014 17.995 19.000 0.015 0.000 0.822 200 A HN 0.517 nan 8.150 nan 0.000 0.447 201 S N -0.343 115.349 115.700 -0.013 0.000 2.359 201 S HA -0.182 4.287 4.470 -0.000 0.000 0.222 201 S C 1.929 176.476 174.600 -0.089 0.000 1.038 201 S CA 1.820 59.996 58.200 -0.041 0.000 1.051 201 S CB -0.587 62.594 63.200 -0.030 0.000 0.944 201 S HN 0.460 nan 8.310 nan 0.000 0.433 202 L N 0.656 121.793 121.223 -0.143 0.000 2.131 202 L HA -0.106 4.234 4.340 -0.000 0.000 0.210 202 L C 2.827 179.559 176.870 -0.231 0.000 1.092 202 L CA 0.959 55.609 54.840 -0.317 0.000 0.759 202 L CB -0.753 40.854 42.059 -0.754 0.000 0.903 202 L HN 0.456 nan 8.230 nan 0.000 0.435 203 C N -0.634 118.620 119.300 -0.077 0.000 2.453 203 C HA -0.157 4.303 4.460 -0.000 0.000 0.277 203 C C 2.919 177.921 174.990 0.019 0.000 1.262 203 C CA 0.651 59.694 59.018 0.041 0.000 1.718 203 C CB -0.606 27.171 27.740 0.062 0.000 2.031 203 C HN 0.533 nan 8.230 nan 0.000 0.480 204 Q N 0.035 119.826 119.800 -0.016 0.000 2.030 204 Q HA -0.270 4.069 4.340 -0.000 0.000 0.204 204 Q C 2.346 178.309 176.000 -0.060 0.000 0.986 204 Q CA 1.825 57.612 55.803 -0.027 0.000 0.843 204 Q CB -0.306 28.413 28.738 -0.030 0.000 0.904 204 Q HN 0.679 nan 8.270 nan 0.000 0.420 205 Q N -0.433 119.299 119.800 -0.113 0.000 2.112 205 Q HA -0.217 4.123 4.340 -0.000 0.000 0.206 205 Q C 1.280 177.105 176.000 -0.292 0.000 0.987 205 Q CA 1.373 57.041 55.803 -0.226 0.000 0.858 205 Q CB 0.118 28.665 28.738 -0.320 0.000 0.905 205 Q HN 0.568 nan 8.270 nan 0.000 0.420 206 H N -1.127 117.889 119.070 -0.090 0.000 2.705 206 H HA 0.069 4.625 4.556 -0.000 0.000 0.269 206 H C -0.389 174.952 175.328 0.022 0.000 0.998 206 H CA 0.641 56.678 56.048 -0.020 0.000 1.193 206 H CB 0.698 30.479 29.762 0.032 0.000 1.485 206 H HN 0.316 nan 8.280 nan 0.000 0.521 207 D N 0.911 121.374 120.400 0.106 0.000 3.515 207 D HA -0.158 4.482 4.640 -0.000 0.000 0.247 207 D C -1.347 175.004 176.300 0.084 0.000 1.084 207 D CA 0.205 54.245 54.000 0.065 0.000 1.030 207 D CB -1.319 39.503 40.800 0.038 0.000 0.946 207 D HN 0.013 nan 8.370 nan 0.000 0.420 208 V N 2.241 122.208 119.914 0.087 0.000 2.888 208 V HA 0.582 4.702 4.120 -0.000 0.000 0.309 208 V C 0.419 176.526 176.094 0.021 0.000 1.114 208 V CA -0.958 61.391 62.300 0.082 0.000 0.940 208 V CB 2.318 34.264 31.823 0.205 0.000 1.021 208 V HN 0.217 nan 8.190 nan 0.000 0.426 209 V N 2.264 122.153 119.914 -0.041 0.000 2.644 209 V HA 0.300 4.420 4.120 -0.000 0.000 0.295 209 V C 0.102 176.127 176.094 -0.116 0.000 1.053 209 V CA -0.334 61.908 62.300 -0.098 0.000 0.987 209 V CB 1.586 33.317 31.823 -0.153 0.000 1.006 209 V HN 1.028 nan 8.190 nan 0.000 0.472 210 C N 7.106 126.325 119.300 -0.135 0.000 2.250 210 C HA 0.544 5.004 4.460 -0.000 0.000 0.319 210 C C 0.124 174.983 174.990 -0.218 0.000 1.124 210 C CA -0.890 58.038 59.018 -0.150 0.000 1.527 210 C CB -1.679 26.000 27.740 -0.102 0.000 2.001 210 C HN 0.743 nan 8.230 nan 0.000 0.435 211 I N 5.298 125.697 120.570 -0.284 0.000 2.517 211 I HA 0.205 4.375 4.170 -0.000 0.000 0.285 211 I C 0.919 176.848 176.117 -0.314 0.000 1.106 211 I CA 0.986 62.077 61.300 -0.349 0.000 1.402 211 I CB 0.900 38.598 38.000 -0.503 0.000 1.399 211 I HN 0.643 nan 8.210 nan 0.000 0.535 212 T N 4.295 118.690 114.554 -0.265 0.000 2.847 212 T HA 0.175 4.525 4.350 -0.000 0.000 0.291 212 T C -0.666 173.911 174.700 -0.204 0.000 0.998 212 T CA -0.863 61.099 62.100 -0.229 0.000 0.967 212 T CB 0.738 69.493 68.868 -0.189 0.000 0.954 212 T HN 0.520 nan 8.240 nan 0.000 0.441 213 D N 4.094 124.382 120.400 -0.187 0.000 2.411 213 D HA 0.184 4.824 4.640 -0.000 0.000 0.225 213 D C 0.480 176.701 176.300 -0.131 0.000 1.156 213 D CA -0.344 53.566 54.000 -0.149 0.000 0.874 213 D CB 0.853 41.625 40.800 -0.047 0.000 1.034 213 D HN 0.737 nan 8.370 nan 0.000 0.502 214 E N 2.788 122.888 120.200 -0.168 0.000 2.609 214 E HA 0.036 4.386 4.350 -0.000 0.000 0.208 214 E C 1.860 178.285 176.600 -0.291 0.000 1.013 214 E CA -0.091 56.220 56.400 -0.147 0.000 1.093 214 E CB 0.589 30.254 29.700 -0.058 0.000 1.129 214 E HN 0.392 nan 8.360 nan 0.000 0.450 215 V N -1.709 117.977 119.914 -0.378 0.000 2.453 215 V HA -0.313 3.807 4.120 -0.000 0.000 0.252 215 V C 1.332 177.043 176.094 -0.639 0.000 1.068 215 V CA 1.466 63.428 62.300 -0.563 0.000 1.070 215 V CB -0.971 30.410 31.823 -0.737 0.000 0.664 215 V HN 0.286 nan 8.190 nan 0.000 0.461 216 Y N 0.688 120.846 120.300 -0.237 0.000 2.461 216 Y HA 0.228 4.778 4.550 -0.000 0.000 0.277 216 Y C 2.416 178.137 175.900 -0.297 0.000 1.182 216 Y CA 0.289 58.254 58.100 -0.225 0.000 1.276 216 Y CB -0.592 37.758 38.460 -0.182 0.000 1.087 216 Y HN 0.367 nan 8.280 nan 0.000 0.519 217 Q N 0.180 119.698 119.800 -0.470 0.000 2.167 217 Q HA -0.306 4.034 4.340 -0.000 0.000 0.218 217 Q C 0.932 176.463 176.000 -0.782 0.000 1.033 217 Q CA 3.265 58.421 55.803 -1.078 0.000 0.918 217 Q CB -0.471 27.478 28.738 -1.315 0.000 1.019 217 Q HN 0.670 nan 8.270 nan 0.000 0.417 218 W N -0.762 120.414 121.300 -0.207 0.000 3.003 218 W HA 0.192 4.852 4.660 -0.000 0.000 0.257 218 W C 0.248 176.748 176.519 -0.033 0.000 1.308 218 W CA -0.594 56.667 57.345 -0.140 0.000 1.529 218 W CB 0.426 29.720 29.460 -0.277 0.000 1.115 218 W HN 0.080 nan 8.180 nan 0.000 0.659 219 M N 2.427 122.107 119.600 0.133 0.000 2.664 219 M HA 0.268 4.748 4.480 -0.000 0.000 0.332 219 M C -0.351 175.700 176.300 -0.414 0.000 1.354 219 M CA -0.375 54.911 55.300 -0.023 0.000 1.399 219 M CB -1.121 31.583 32.600 0.174 0.000 1.224 219 M HN -0.213 nan 8.290 nan 0.000 0.479 220 V N 0.687 120.320 119.914 -0.469 0.000 2.735 220 V HA 0.764 4.884 4.120 -0.000 0.000 0.310 220 V C -1.284 174.545 176.094 -0.442 0.000 1.061 220 V CA -0.873 61.153 62.300 -0.456 0.000 0.913 220 V CB 1.944 33.722 31.823 -0.074 0.000 1.005 220 V HN 0.561 nan 8.190 nan 0.000 0.428 221 Y N 0.183 120.581 120.300 0.164 0.000 2.659 221 Y HA 0.656 5.206 4.550 -0.000 0.000 0.333 221 Y C 0.613 176.603 175.900 0.150 0.000 1.064 221 Y CA -1.074 57.100 58.100 0.125 0.000 1.141 221 Y CB 0.763 39.270 38.460 0.078 0.000 1.316 221 Y HN 0.758 nan 8.280 nan 0.000 0.509 222 D N 0.229 120.785 120.400 0.259 0.000 2.837 222 D HA -0.169 4.471 4.640 -0.000 0.000 0.230 222 D C 1.288 177.585 176.300 -0.004 0.000 1.152 222 D CA 1.878 55.956 54.000 0.130 0.000 0.736 222 D CB -1.267 39.654 40.800 0.201 0.000 1.084 222 D HN 1.109 nan 8.370 nan 0.000 0.429 223 G N -0.846 107.975 108.800 0.035 0.000 2.196 223 G HA2 -0.380 3.580 3.960 -0.000 0.000 0.268 223 G HA3 -0.380 3.580 3.960 -0.000 0.000 0.268 223 G C 0.359 175.223 174.900 -0.059 0.000 0.975 223 G CA 0.677 45.764 45.100 -0.023 0.000 0.648 223 G HN 0.659 nan 8.290 nan 0.000 0.538 224 H N -0.114 118.995 119.070 0.065 0.000 2.771 224 H HA 0.437 4.993 4.556 -0.000 0.000 0.364 224 H C 0.401 175.759 175.328 0.050 0.000 1.133 224 H CA 0.530 56.610 56.048 0.053 0.000 1.423 224 H CB 1.123 30.918 29.762 0.055 0.000 1.425 224 H HN 0.272 nan 8.280 nan 0.000 0.606 225 Q N 1.204 121.112 119.800 0.180 0.000 2.331 225 Q HA 0.131 4.471 4.340 -0.000 0.000 0.267 225 Q C -1.035 175.025 176.000 0.099 0.000 1.006 225 Q CA -0.767 55.104 55.803 0.114 0.000 0.818 225 Q CB 0.721 29.507 28.738 0.079 0.000 1.276 225 Q HN 0.599 nan 8.270 nan 0.000 0.450 226 H N 3.523 122.589 119.070 -0.007 0.000 2.955 226 H HA 0.382 4.938 4.556 -0.000 0.000 0.290 226 H C -0.811 174.488 175.328 -0.048 0.000 1.047 226 H CA 0.237 56.250 56.048 -0.058 0.000 1.484 226 H CB 0.078 29.735 29.762 -0.175 0.000 1.501 226 H HN 0.572 nan 8.280 nan 0.000 0.521 227 I N 4.005 124.285 120.570 -0.484 0.000 2.441 227 I HA 0.198 4.368 4.170 -0.000 0.000 0.295 227 I C -0.129 175.696 176.117 -0.487 0.000 0.994 227 I CA -0.699 60.398 61.300 -0.339 0.000 1.144 227 I CB 1.991 39.915 38.000 -0.128 0.000 1.314 227 I HN 0.532 nan 8.210 nan 0.000 0.445 228 S N 5.652 121.205 115.700 -0.246 0.000 2.430 228 S HA 0.308 4.778 4.470 -0.000 0.000 0.289 228 S C 1.305 175.862 174.600 -0.071 0.000 1.143 228 S CA -0.531 57.588 58.200 -0.134 0.000 1.067 228 S CB 1.008 64.209 63.200 0.003 0.000 0.964 228 S HN 0.614 nan 8.310 nan 0.000 0.485 229 I N 2.820 123.342 120.570 -0.080 0.000 2.367 229 I HA -0.333 3.837 4.170 -0.000 0.000 0.256 229 I C 2.140 178.260 176.117 0.004 0.000 1.132 229 I CA 1.315 62.592 61.300 -0.040 0.000 1.397 229 I CB -0.138 37.826 38.000 -0.060 0.000 1.074 229 I HN 0.787 nan 8.210 nan 0.000 0.435 230 A N -0.313 122.525 122.820 0.030 0.000 2.119 230 A HA -0.133 4.187 4.320 -0.000 0.000 0.216 230 A C 2.297 179.976 177.584 0.157 0.000 1.152 230 A CA 1.341 53.449 52.037 0.119 0.000 0.708 230 A CB -0.501 18.611 19.000 0.186 0.000 0.805 230 A HN 0.593 nan 8.150 nan 0.000 0.460 231 S N -0.982 114.768 115.700 0.084 0.000 2.527 231 S HA 0.189 4.659 4.470 -0.000 0.000 0.222 231 S C 0.468 175.091 174.600 0.039 0.000 0.985 231 S CA -0.244 57.988 58.200 0.054 0.000 0.921 231 S CB -0.525 62.691 63.200 0.025 0.000 0.772 231 S HN 0.180 nan 8.310 nan 0.000 0.529 232 L N 3.019 124.265 121.223 0.038 0.000 2.485 232 L HA 0.337 4.677 4.340 -0.000 0.000 0.275 232 L C -2.307 174.587 176.870 0.040 0.000 1.207 232 L CA -1.653 53.205 54.840 0.030 0.000 0.855 232 L CB -0.443 41.631 42.059 0.024 0.000 1.114 232 L HN 0.028 nan 8.230 nan 0.000 0.485 233 P HA 0.077 nan 4.420 nan 0.000 0.261 233 P C 0.718 178.040 177.300 0.037 0.000 1.173 233 P CA 1.111 64.227 63.100 0.027 0.000 0.760 233 P CB 0.406 32.115 31.700 0.015 0.000 0.783 234 G N 2.599 111.430 108.800 0.051 0.000 2.184 234 G HA2 -0.343 3.617 3.960 -0.000 0.000 0.264 234 G HA3 -0.343 3.617 3.960 -0.000 0.000 0.264 234 G C 0.903 175.848 174.900 0.075 0.000 0.975 234 G CA 0.324 45.458 45.100 0.056 0.000 0.642 234 G HN 0.378 nan 8.290 nan 0.000 0.536 235 M N -0.754 118.902 119.600 0.093 0.000 2.325 235 M HA 0.270 4.750 4.480 -0.000 0.000 0.265 235 M C 2.088 178.459 176.300 0.118 0.000 1.094 235 M CA 0.706 56.054 55.300 0.080 0.000 1.161 235 M CB -1.282 31.355 32.600 0.062 0.000 1.358 235 M HN 0.530 nan 8.290 nan 0.000 0.446 236 W N 2.197 123.490 121.300 -0.012 0.000 2.274 236 W HA -0.282 4.378 4.660 -0.000 0.000 0.314 236 W C 1.100 177.627 176.519 0.012 0.000 1.254 236 W CA 1.785 59.124 57.345 -0.010 0.000 1.265 236 W CB -0.192 29.264 29.460 -0.007 0.000 1.141 236 W HN 0.222 nan 8.180 nan 0.000 0.505 237 E N 0.151 120.418 120.200 0.112 0.000 2.515 237 E HA -0.178 4.172 4.350 -0.000 0.000 0.201 237 E C 1.552 178.180 176.600 0.045 0.000 1.071 237 E CA 1.401 57.856 56.400 0.091 0.000 0.880 237 E CB -0.329 29.450 29.700 0.132 0.000 0.828 237 E HN 0.665 nan 8.360 nan 0.000 0.540 238 R N -1.584 118.874 120.500 -0.071 0.000 2.518 238 R HA 0.227 4.567 4.340 -0.000 0.000 0.419 238 R C -0.138 176.071 176.300 -0.151 0.000 0.902 238 R CA -0.183 55.865 56.100 -0.087 0.000 1.146 238 R CB 0.083 30.374 30.300 -0.015 0.000 1.652 238 R HN -0.220 nan 8.270 nan 0.000 0.555 239 T N 1.758 116.179 114.554 -0.222 0.000 2.888 239 T HA 0.541 4.891 4.350 -0.000 0.000 0.284 239 T C -0.703 173.800 174.700 -0.329 0.000 1.017 239 T CA -0.480 61.484 62.100 -0.226 0.000 1.022 239 T CB 2.014 70.792 68.868 -0.150 0.000 1.013 239 T HN 0.083 nan 8.240 nan 0.000 0.465 240 L N 2.542 123.593 121.223 -0.287 0.000 2.333 240 L HA 0.524 4.864 4.340 -0.000 0.000 0.280 240 L C -0.084 176.647 176.870 -0.233 0.000 1.004 240 L CA -0.749 53.916 54.840 -0.293 0.000 0.820 240 L CB 1.907 43.788 42.059 -0.296 0.000 1.247 240 L HN 0.593 nan 8.230 nan 0.000 0.416 241 T N 4.259 118.697 114.554 -0.194 0.000 2.786 241 T HA 0.607 4.957 4.350 -0.000 0.000 0.283 241 T C -0.128 174.482 174.700 -0.151 0.000 0.992 241 T CA -0.265 61.749 62.100 -0.143 0.000 0.954 241 T CB 1.176 70.002 68.868 -0.070 0.000 0.934 241 T HN 0.261 nan 8.240 nan 0.000 0.440 242 I N 2.063 122.508 120.570 -0.209 0.000 2.562 242 I HA 0.772 4.942 4.170 -0.000 0.000 0.301 242 I C 0.689 176.541 176.117 -0.441 0.000 1.003 242 I CA -0.667 60.450 61.300 -0.305 0.000 1.127 242 I CB 2.099 39.942 38.000 -0.263 0.000 1.304 242 I HN 0.746 nan 8.210 nan 0.000 0.446 243 G N 1.977 110.240 108.800 -0.894 0.000 2.695 243 G HA2 0.572 4.532 3.960 -0.000 0.000 0.290 243 G HA3 0.572 4.532 3.960 -0.000 0.000 0.290 243 G C -1.785 172.202 174.900 -1.521 0.000 1.410 243 G CA -0.451 44.024 45.100 -1.042 0.000 0.844 243 G HN 0.501 nan 8.290 nan 0.000 0.478 244 S N -0.998 114.079 115.700 -1.039 0.000 2.677 244 S HA 0.569 5.039 4.470 -0.000 0.000 0.283 244 S C 1.102 175.585 174.600 -0.195 0.000 1.159 244 S CA 0.572 58.384 58.200 -0.646 0.000 1.001 244 S CB 1.429 64.385 63.200 -0.407 0.000 1.032 244 S HN 1.705 nan 8.310 nan 0.000 0.487 245 A N 4.465 127.365 122.820 0.133 0.000 1.940 245 A HA 0.252 4.572 4.320 -0.000 0.000 0.219 245 A C 1.462 179.130 177.584 0.140 0.000 1.176 245 A CA 1.454 53.745 52.037 0.422 0.000 0.631 245 A CB -1.417 17.951 19.000 0.613 0.000 0.814 245 A HN 1.196 nan 8.150 nan 0.000 0.446 249 F N 2.503 122.460 119.950 0.011 0.000 2.735 249 F HA 0.492 5.019 4.527 -0.000 0.000 0.304 249 F C 0.896 176.482 175.800 -0.357 0.000 1.119 249 F CA -0.502 57.353 58.000 -0.242 0.000 1.280 249 F CB 0.206 38.869 39.000 -0.562 0.000 0.994 249 F HN -0.015 nan 8.300 nan 0.000 0.520 250 S N 0.981 116.667 115.700 -0.022 0.000 3.549 250 S HA -0.165 4.305 4.470 -0.000 0.000 0.366 250 S C 0.412 174.890 174.600 -0.203 0.000 1.012 250 S CA 0.593 58.766 58.200 -0.046 0.000 1.141 250 S CB -1.519 61.640 63.200 -0.068 0.000 0.910 250 S HN 0.584 nan 8.310 nan 0.000 0.471 251 A N 0.472 123.102 122.820 -0.318 0.000 3.159 251 A HA 0.637 4.957 4.320 -0.000 0.000 0.330 251 A C 1.167 178.586 177.584 -0.276 0.000 1.032 251 A CA 0.209 51.919 52.037 -0.545 0.000 0.841 251 A CB 0.166 18.242 19.000 -1.540 0.000 1.093 251 A HN 0.690 nan 8.150 nan 0.000 0.478 252 T N -2.256 112.252 114.554 -0.077 0.000 2.915 252 T HA -0.050 4.300 4.350 -0.000 0.000 0.269 252 T C 1.596 176.308 174.700 0.020 0.000 1.071 252 T CA 1.655 63.754 62.100 -0.001 0.000 1.132 252 T CB -0.170 68.727 68.868 0.048 0.000 0.878 252 T HN 0.711 nan 8.240 nan 0.000 0.479 253 G N -0.655 108.167 108.800 0.038 0.000 3.061 253 G HA2 0.123 4.083 3.960 -0.000 0.000 0.208 253 G HA3 0.123 4.083 3.960 -0.000 0.000 0.208 253 G C 0.734 175.827 174.900 0.323 0.000 1.175 253 G CA -0.355 44.811 45.100 0.110 0.000 0.812 253 G HN 0.458 nan 8.290 nan 0.000 0.523 254 W N 0.125 121.457 121.300 0.053 0.000 2.640 254 W HA 0.278 4.938 4.660 -0.000 0.000 0.268 254 W C 0.789 177.339 176.519 0.051 0.000 1.263 254 W CA -0.550 56.837 57.345 0.070 0.000 1.344 254 W CB 0.207 29.677 29.460 0.018 0.000 1.093 254 W HN 0.009 nan 8.180 nan 0.000 0.603 255 K N 0.459 121.010 120.400 0.251 0.000 3.689 255 K HA -0.158 4.162 4.320 -0.000 0.000 0.276 255 K C -0.762 175.948 176.600 0.183 0.000 0.932 255 K CA 0.499 56.880 56.287 0.156 0.000 0.758 255 K CB -1.936 30.626 32.500 0.103 0.000 1.500 255 K HN -0.029 nan 8.250 nan 0.000 0.448 256 V N -0.359 119.692 119.914 0.229 0.000 2.555 256 V HA 0.869 4.989 4.120 -0.000 0.000 0.302 256 V C 0.986 177.201 176.094 0.202 0.000 1.038 256 V CA -0.192 62.267 62.300 0.265 0.000 0.887 256 V CB 2.338 34.376 31.823 0.358 0.000 0.991 256 V HN 0.583 nan 8.190 nan 0.000 0.434 257 G N 2.377 111.276 108.800 0.165 0.000 2.788 257 G HA2 0.816 4.776 3.960 -0.000 0.000 0.293 257 G HA3 0.816 4.776 3.960 -0.000 0.000 0.293 257 G C -2.072 172.911 174.900 0.139 0.000 1.392 257 G CA -0.593 44.413 45.100 -0.157 0.000 0.810 257 G HN 1.000 nan 8.290 nan 0.000 0.508 258 W N -1.387 119.949 121.300 0.060 0.000 3.137 258 W HA 0.699 5.359 4.660 -0.000 0.000 0.324 258 W C -1.514 174.969 176.519 -0.059 0.000 1.253 258 W CA -1.428 55.926 57.345 0.015 0.000 1.183 258 W CB 1.237 30.710 29.460 0.021 0.000 1.424 258 W HN 0.403 nan 8.180 nan 0.000 0.566 259 V N 2.719 122.716 119.914 0.138 0.000 2.495 259 V HA 0.563 4.683 4.120 -0.000 0.000 0.298 259 V C -0.108 176.017 176.094 0.051 0.000 1.031 259 V CA -1.092 61.218 62.300 0.017 0.000 0.871 259 V CB 1.069 32.845 31.823 -0.078 0.000 0.988 259 V HN 0.590 nan 8.190 nan 0.000 0.432 260 L N 3.967 125.203 121.223 0.023 0.000 2.322 260 L HA 1.036 5.376 4.340 -0.000 0.000 0.279 260 L C 0.619 177.356 176.870 -0.222 0.000 1.036 260 L CA -0.196 54.643 54.840 -0.001 0.000 0.807 260 L CB 1.671 43.803 42.059 0.122 0.000 1.226 260 L HN 0.889 nan 8.230 nan 0.000 0.433 261 G N 1.777 110.327 108.800 -0.416 0.000 2.328 261 G HA2 0.357 4.317 3.960 -0.000 0.000 0.295 261 G HA3 0.357 4.317 3.960 -0.000 0.000 0.295 261 G C -3.318 171.080 174.900 -0.837 0.000 1.413 261 G CA -0.666 43.910 45.100 -0.873 0.000 0.817 261 G HN 0.298 nan 8.290 nan 0.000 0.546 262 P HA 0.208 nan 4.420 nan 0.000 0.275 262 P C 0.169 177.322 177.300 -0.245 0.000 1.227 262 P CA 0.114 62.937 63.100 -0.462 0.000 0.781 262 P CB 2.017 33.468 31.700 -0.414 0.000 0.906 263 D N 1.847 122.217 120.400 -0.049 0.000 2.149 263 D HA -0.282 4.358 4.640 -0.000 0.000 0.194 263 D C 1.729 177.948 176.300 -0.135 0.000 1.001 263 D CA 1.598 55.548 54.000 -0.084 0.000 0.849 263 D CB -0.205 40.587 40.800 -0.013 0.000 0.939 263 D HN 0.548 nan 8.370 nan 0.000 0.449 264 H N -0.132 118.856 119.070 -0.138 0.000 2.457 264 H HA -0.046 4.510 4.556 -0.000 0.000 0.294 264 H C 2.136 177.379 175.328 -0.143 0.000 1.064 264 H CA 1.049 57.016 56.048 -0.135 0.000 1.330 264 H CB -0.478 29.242 29.762 -0.071 0.000 1.395 264 H HN 0.336 nan 8.280 nan 0.000 0.541 265 I N 0.719 120.856 120.570 -0.722 0.000 2.270 265 I HA -0.176 3.994 4.170 -0.000 0.000 0.239 265 I C 2.630 178.557 176.117 -0.317 0.000 1.080 265 I CA 0.532 61.559 61.300 -0.455 0.000 1.383 265 I CB -0.231 37.453 38.000 -0.526 0.000 1.097 265 I HN 0.037 nan 8.210 nan 0.000 0.420 266 M N 1.580 120.975 119.600 -0.342 0.000 2.195 266 M HA -0.233 4.247 4.480 -0.000 0.000 0.260 266 M C 2.287 178.390 176.300 -0.328 0.000 1.066 266 M CA 1.613 56.734 55.300 -0.298 0.000 1.089 266 M CB -1.211 31.221 32.600 -0.281 0.000 1.377 266 M HN 0.361 nan 8.290 nan 0.000 0.411 267 K N 0.098 120.264 120.400 -0.390 0.000 2.152 267 K HA -0.212 4.108 4.320 -0.000 0.000 0.206 267 K C 1.472 177.817 176.600 -0.425 0.000 1.048 267 K CA 1.500 57.528 56.287 -0.432 0.000 0.933 267 K CB -0.514 31.729 32.500 -0.429 0.000 0.721 267 K HN 0.437 nan 8.250 nan 0.000 0.447 268 H N 0.816 119.794 119.070 -0.153 0.000 2.363 268 H HA -0.020 4.536 4.556 -0.000 0.000 0.301 268 H C 2.366 177.622 175.328 -0.120 0.000 1.074 268 H CA 1.183 57.157 56.048 -0.124 0.000 1.354 268 H CB -0.300 29.387 29.762 -0.125 0.000 1.397 268 H HN 0.083 nan 8.280 nan 0.000 0.516 269 L N 1.016 122.209 121.223 -0.049 0.000 2.043 269 L HA -0.195 4.145 4.340 -0.000 0.000 0.212 269 L C 2.747 179.593 176.870 -0.040 0.000 1.075 269 L CA 1.492 56.288 54.840 -0.073 0.000 0.752 269 L CB -0.413 41.570 42.059 -0.126 0.000 0.891 269 L HN 0.126 nan 8.230 nan 0.000 0.432 270 R N -1.402 119.016 120.500 -0.137 0.000 2.081 270 R HA -0.121 4.219 4.340 -0.000 0.000 0.235 270 R C 2.142 178.490 176.300 0.079 0.000 1.131 270 R CA 1.781 57.798 56.100 -0.138 0.000 0.960 270 R CB -0.747 29.190 30.300 -0.606 0.000 0.856 270 R HN 0.404 nan 8.270 nan 0.000 0.436 271 T N 0.817 115.388 114.554 0.029 0.000 2.708 271 T HA -0.105 4.245 4.350 -0.000 0.000 0.266 271 T C 2.054 176.806 174.700 0.088 0.000 1.037 271 T CA 1.390 63.534 62.100 0.073 0.000 1.146 271 T CB -0.257 68.651 68.868 0.066 0.000 0.865 271 T HN -0.010 nan 8.240 nan 0.000 0.435 272 V N 1.426 121.380 119.914 0.067 0.000 2.287 272 V HA -0.238 3.882 4.120 -0.000 0.000 0.248 272 V C 2.429 178.593 176.094 0.118 0.000 1.053 272 V CA 1.828 64.161 62.300 0.055 0.000 1.027 272 V CB -0.800 31.011 31.823 -0.019 0.000 0.646 272 V HN 0.630 nan 8.190 nan 0.000 0.447 273 H N 0.983 120.090 119.070 0.063 0.000 2.319 273 H HA -0.238 4.317 4.556 -0.000 0.000 0.299 273 H C 2.457 177.826 175.328 0.068 0.000 1.092 273 H CA 2.333 58.439 56.048 0.096 0.000 1.302 273 H CB -0.030 29.805 29.762 0.122 0.000 1.373 273 H HN 0.681 nan 8.280 nan 0.000 0.497 274 Q N -0.189 119.684 119.800 0.122 0.000 2.364 274 Q HA -0.065 4.275 4.340 -0.000 0.000 0.207 274 Q C 0.637 176.700 176.000 0.105 0.000 0.970 274 Q CA 1.094 56.878 55.803 -0.033 0.000 0.888 274 Q CB 0.023 28.737 28.738 -0.040 0.000 0.951 274 Q HN 0.408 nan 8.270 nan 0.000 0.469 275 N N 0.366 119.122 118.700 0.093 0.000 2.214 275 N HA 0.054 4.794 4.740 -0.000 0.000 0.214 275 N C 0.490 176.055 175.510 0.092 0.000 1.132 275 N CA 0.732 53.842 53.050 0.100 0.000 0.856 275 N CB 1.223 39.761 38.487 0.085 0.000 1.020 275 N HN 0.422 nan 8.380 nan 0.000 0.509 276 S N -0.737 115.006 115.700 0.072 0.000 3.597 276 S HA 0.024 4.494 4.470 -0.000 0.000 0.206 276 S C 1.644 176.274 174.600 0.049 0.000 0.948 276 S CA 0.361 58.618 58.200 0.095 0.000 0.863 276 S CB -0.493 62.817 63.200 0.184 0.000 1.015 276 S HN -0.061 nan 8.310 nan 0.000 0.616 277 V N -2.236 117.645 119.914 -0.054 0.000 2.949 277 V HA 0.414 4.534 4.120 -0.000 0.000 0.245 277 V C 1.526 177.600 176.094 -0.032 0.000 1.086 277 V CA 0.898 63.169 62.300 -0.048 0.000 1.097 277 V CB -0.858 30.944 31.823 -0.034 0.000 0.762 277 V HN 0.635 nan 8.190 nan 0.000 0.470 278 F N 0.440 120.088 119.950 -0.502 0.000 2.551 278 F HA -0.317 4.210 4.527 -0.000 0.000 0.704 278 F C 0.868 176.415 175.800 -0.422 0.000 0.486 278 F CA 2.362 60.068 58.000 -0.490 0.000 0.741 278 F CB -0.982 37.729 39.000 -0.482 0.000 1.617 278 F HN 0.489 nan 8.300 nan 0.000 0.268 279 H N -0.865 118.377 119.070 0.286 0.000 2.569 279 H HA 0.549 5.105 4.556 -0.000 0.000 0.357 279 H C -0.549 174.923 175.328 0.239 0.000 1.153 279 H CA -0.715 55.493 56.048 0.267 0.000 1.193 279 H CB 1.298 31.228 29.762 0.279 0.000 1.602 279 H HN 0.195 nan 8.280 nan 0.000 0.523 280 C N 2.974 122.511 119.300 0.394 0.000 2.382 280 C HA 0.250 4.710 4.460 -0.000 0.000 0.363 280 C C -1.679 173.449 174.990 0.230 0.000 1.213 280 C CA -1.124 58.069 59.018 0.293 0.000 2.363 280 C CB 0.566 28.474 27.740 0.280 0.000 2.397 280 C HN 0.635 nan 8.230 nan 0.000 0.573 281 P HA 0.078 nan 4.420 nan 0.000 0.266 281 P C 0.465 177.780 177.300 0.024 0.000 1.195 281 P CA 0.568 63.717 63.100 0.081 0.000 0.768 281 P CB 0.338 32.071 31.700 0.056 0.000 0.838 282 T N 1.933 116.469 114.554 -0.030 0.000 2.737 282 T HA -0.152 4.198 4.350 -0.000 0.000 0.265 282 T C 1.781 176.298 174.700 -0.306 0.000 1.038 282 T CA 1.632 63.633 62.100 -0.165 0.000 1.144 282 T CB -0.275 68.507 68.868 -0.144 0.000 0.866 282 T HN 0.485 nan 8.240 nan 0.000 0.434 283 Q N 1.135 120.818 119.800 -0.196 0.000 2.083 283 Q HA -0.039 4.301 4.340 -0.000 0.000 0.198 283 Q C 2.725 178.455 176.000 -0.449 0.000 0.969 283 Q CA 1.472 57.144 55.803 -0.218 0.000 0.838 283 Q CB -0.275 28.467 28.738 0.008 0.000 0.900 283 Q HN 0.634 nan 8.270 nan 0.000 0.436 284 S N 0.915 116.299 115.700 -0.527 0.000 2.372 284 S HA -0.339 4.131 4.470 -0.000 0.000 0.227 284 S C 1.909 176.224 174.600 -0.475 0.000 1.044 284 S CA 1.519 59.200 58.200 -0.864 0.000 1.050 284 S CB -0.528 62.405 63.200 -0.445 0.000 0.901 284 S HN 0.366 nan 8.310 nan 0.000 0.447 285 Q N 1.515 121.175 119.800 -0.234 0.000 2.061 285 Q HA -0.064 4.276 4.340 -0.000 0.000 0.204 285 Q C 2.751 178.732 176.000 -0.032 0.000 0.984 285 Q CA 1.500 57.283 55.803 -0.034 0.000 0.846 285 Q CB -0.678 28.094 28.738 0.057 0.000 0.902 285 Q HN 0.758 nan 8.270 nan 0.000 0.421 286 A N 1.393 124.038 122.820 -0.292 0.000 1.892 286 A HA -0.230 4.090 4.320 -0.000 0.000 0.218 286 A C 2.351 179.870 177.584 -0.107 0.000 1.188 286 A CA 1.971 53.929 52.037 -0.132 0.000 0.631 286 A CB -0.956 17.878 19.000 -0.276 0.000 0.822 286 A HN 0.435 nan 8.150 nan 0.000 0.447 287 A N -0.767 121.844 122.820 -0.348 0.000 1.902 287 A HA -0.005 4.315 4.320 -0.000 0.000 0.217 287 A C 2.216 179.716 177.584 -0.140 0.000 1.181 287 A CA 1.865 53.666 52.037 -0.394 0.000 0.623 287 A CB -0.913 17.442 19.000 -1.075 0.000 0.818 287 A HN 0.470 nan 8.150 nan 0.000 0.443 288 V N -0.273 119.630 119.914 -0.019 0.000 2.515 288 V HA -0.189 3.931 4.120 -0.000 0.000 0.250 288 V C 2.972 179.180 176.094 0.189 0.000 1.058 288 V CA 1.717 64.123 62.300 0.176 0.000 1.064 288 V CB -1.162 30.902 31.823 0.403 0.000 0.675 288 V HN 0.605 nan 8.190 nan 0.000 0.461 289 A N -0.161 122.781 122.820 0.203 0.000 1.930 289 A HA -0.235 4.085 4.320 -0.000 0.000 0.217 289 A C 2.282 179.956 177.584 0.151 0.000 1.175 289 A CA 1.806 53.983 52.037 0.233 0.000 0.627 289 A CB -0.402 18.740 19.000 0.236 0.000 0.815 289 A HN 0.612 nan 8.150 nan 0.000 0.443 290 E N -0.186 120.061 120.200 0.079 0.000 2.216 290 E HA -0.077 4.273 4.350 -0.000 0.000 0.192 290 E C 1.765 178.364 176.600 -0.002 0.000 0.988 290 E CA 1.036 57.463 56.400 0.044 0.000 0.834 290 E CB 0.017 29.747 29.700 0.049 0.000 0.772 290 E HN 0.557 nan 8.360 nan 0.000 0.479 291 S N -0.083 115.543 115.700 -0.123 0.000 2.414 291 S HA -0.017 4.453 4.470 -0.000 0.000 0.227 291 S C 1.335 175.855 174.600 -0.133 0.000 1.022 291 S CA 0.333 58.341 58.200 -0.320 0.000 0.958 291 S CB -0.157 62.263 63.200 -1.300 0.000 0.797 291 S HN 0.249 nan 8.310 nan 0.000 0.493 292 F N 2.120 122.124 119.950 0.091 0.000 2.163 292 F HA 0.057 4.584 4.527 -0.000 0.000 0.297 292 F C 2.318 177.981 175.800 -0.228 0.000 1.094 292 F CA 0.498 58.547 58.000 0.082 0.000 1.290 292 F CB -0.690 38.386 39.000 0.127 0.000 1.017 292 F HN 0.182 nan 8.300 nan 0.000 0.483 293 E N -0.312 119.912 120.200 0.039 0.000 2.070 293 E HA -0.266 4.084 4.350 -0.000 0.000 0.197 293 E C 2.435 178.943 176.600 -0.153 0.000 1.004 293 E CA 1.193 57.546 56.400 -0.078 0.000 0.805 293 E CB -0.188 29.495 29.700 -0.029 0.000 0.744 293 E HN 0.069 nan 8.360 nan 0.000 0.451 294 R N 0.856 121.258 120.500 -0.162 0.000 2.115 294 R HA -0.136 4.204 4.340 -0.000 0.000 0.230 294 R C 1.601 177.655 176.300 -0.409 0.000 1.111 294 R CA 1.131 57.056 56.100 -0.291 0.000 0.976 294 R CB 0.044 30.108 30.300 -0.392 0.000 0.870 294 R HN 0.135 nan 8.270 nan 0.000 0.445 295 E N 0.364 120.316 120.200 -0.414 0.000 2.216 295 E HA -0.135 4.215 4.350 -0.000 0.000 0.192 295 E C 1.751 178.087 176.600 -0.440 0.000 0.988 295 E CA 0.598 56.671 56.400 -0.546 0.000 0.834 295 E CB 0.050 29.276 29.700 -0.789 0.000 0.772 295 E HN 0.459 nan 8.360 nan 0.000 0.479 296 Q N 0.223 119.696 119.800 -0.544 0.000 2.062 296 Q HA -0.102 4.238 4.340 -0.000 0.000 0.196 296 Q C 2.273 178.175 176.000 -0.164 0.000 0.967 296 Q CA 0.504 55.983 55.803 -0.541 0.000 0.832 296 Q CB -0.044 28.258 28.738 -0.727 0.000 0.899 296 Q HN 0.125 nan 8.270 nan 0.000 0.442 297 L N 0.879 122.002 121.223 -0.168 0.000 2.030 297 L HA -0.237 4.103 4.340 -0.000 0.000 0.222 297 L C 1.670 178.513 176.870 -0.045 0.000 1.082 297 L CA 1.854 56.639 54.840 -0.093 0.000 0.785 297 L CB -0.354 41.634 42.059 -0.117 0.000 0.895 297 L HN 0.315 nan 8.230 nan 0.000 0.439 298 L N -1.432 119.744 121.223 -0.078 0.000 2.728 298 L HA 0.119 4.459 4.340 -0.000 0.000 0.235 298 L C 0.137 177.043 176.870 0.060 0.000 1.197 298 L CA -0.775 54.039 54.840 -0.044 0.000 0.992 298 L CB -0.589 41.392 42.059 -0.129 0.000 1.263 298 L HN 0.025 nan 8.230 nan 0.000 0.484 299 F N 2.073 121.994 119.950 -0.048 0.000 2.623 299 F HA -0.057 4.469 4.527 -0.000 0.000 0.386 299 F C 1.538 177.394 175.800 0.092 0.000 1.068 299 F CA 0.287 58.330 58.000 0.071 0.000 1.265 299 F CB 0.025 39.138 39.000 0.187 0.000 1.026 299 F HN 0.218 nan 8.300 nan 0.000 0.568 300 R N 0.722 121.006 120.500 -0.359 0.000 3.862 300 R HA -0.270 4.070 4.340 -0.000 0.000 0.470 300 R C 0.169 176.417 176.300 -0.088 0.000 0.879 300 R CA 1.586 57.512 56.100 -0.291 0.000 1.508 300 R CB -1.231 28.851 30.300 -0.363 0.000 2.170 300 R HN 0.749 nan 8.270 nan 0.000 0.496 301 Q N 0.873 120.650 119.800 -0.038 0.000 2.340 301 Q HA 0.101 4.441 4.340 -0.000 0.000 0.249 301 Q C -1.501 174.500 176.000 0.000 0.000 0.957 301 Q CA -1.584 54.208 55.803 -0.018 0.000 0.882 301 Q CB 0.694 29.423 28.738 -0.016 0.000 1.235 301 Q HN -0.070 nan 8.270 nan 0.000 0.439 302 P HA -0.264 nan 4.420 nan 0.000 0.218 302 P C 0.905 178.221 177.300 0.028 0.000 1.150 302 P CA 1.776 64.887 63.100 0.019 0.000 0.841 302 P CB 0.128 31.837 31.700 0.014 0.000 0.784 303 S N -2.032 113.675 115.700 0.012 0.000 2.556 303 S HA 0.097 4.567 4.470 -0.000 0.000 0.216 303 S C 0.827 175.421 174.600 -0.010 0.000 0.970 303 S CA -0.243 57.963 58.200 0.011 0.000 0.912 303 S CB -0.859 62.337 63.200 -0.006 0.000 0.790 303 S HN 0.212 nan 8.310 nan 0.000 0.504 304 S N 0.622 116.312 115.700 -0.017 0.000 2.564 304 S HA 0.263 4.733 4.470 -0.000 0.000 0.278 304 S C 0.616 175.238 174.600 0.036 0.000 1.333 304 S CA -0.579 57.580 58.200 -0.068 0.000 1.048 304 S CB 0.244 63.412 63.200 -0.053 0.000 0.900 304 S HN 0.342 nan 8.310 nan 0.000 0.505 305 Y N 2.887 123.092 120.300 -0.157 0.000 2.224 305 Y HA -0.063 4.487 4.550 -0.000 0.000 0.289 305 Y C 1.403 177.462 175.900 0.265 0.000 1.146 305 Y CA 1.366 59.511 58.100 0.075 0.000 1.182 305 Y CB -0.463 38.093 38.460 0.160 0.000 0.983 305 Y HN 0.771 nan 8.280 nan 0.000 0.524 306 F N -1.618 118.403 119.950 0.119 0.000 2.494 306 F HA -0.112 4.415 4.527 -0.000 0.000 0.298 306 F C 2.140 178.035 175.800 0.159 0.000 1.106 306 F CA 0.352 58.388 58.000 0.060 0.000 1.452 306 F CB -1.400 37.494 39.000 -0.177 0.000 1.085 306 F HN -0.055 nan 8.300 nan 0.000 0.569 307 V N -0.162 119.910 119.914 0.264 0.000 2.403 307 V HA -0.152 3.968 4.120 -0.000 0.000 0.239 307 V C 2.214 178.401 176.094 0.155 0.000 1.041 307 V CA 1.254 63.668 62.300 0.190 0.000 1.051 307 V CB -0.583 31.310 31.823 0.117 0.000 0.704 307 V HN 0.215 nan 8.190 nan 0.000 0.472 308 Q N -0.567 119.314 119.800 0.134 0.000 2.079 308 Q HA -0.208 4.132 4.340 -0.000 0.000 0.200 308 Q C 2.216 178.286 176.000 0.117 0.000 0.974 308 Q CA 1.851 57.724 55.803 0.117 0.000 0.840 308 Q CB -0.491 28.325 28.738 0.131 0.000 0.898 308 Q HN 0.537 nan 8.270 nan 0.000 0.430 309 F N 2.836 122.706 119.950 -0.133 0.000 2.069 309 F HA -0.081 4.446 4.527 -0.000 0.000 0.298 309 F C -0.828 174.994 175.800 0.036 0.000 1.113 309 F CA 0.958 58.837 58.000 -0.202 0.000 1.214 309 F CB -1.265 37.328 39.000 -0.678 0.000 0.978 309 F HN -0.018 nan 8.300 nan 0.000 0.474 310 P HA -0.226 nan 4.420 nan 0.000 0.216 310 P C 1.556 178.948 177.300 0.152 0.000 1.153 310 P CA 2.122 65.326 63.100 0.173 0.000 0.858 310 P CB -0.177 31.662 31.700 0.232 0.000 0.789 311 Q N -0.920 118.937 119.800 0.094 0.000 2.061 311 Q HA -0.157 4.183 4.340 -0.000 0.000 0.204 311 Q C 2.266 178.250 176.000 -0.028 0.000 0.984 311 Q CA 1.858 57.691 55.803 0.049 0.000 0.846 311 Q CB -0.733 28.034 28.738 0.048 0.000 0.902 311 Q HN 0.152 nan 8.270 nan 0.000 0.421 312 A N 0.261 123.042 122.820 -0.064 0.000 1.902 312 A HA -0.190 4.130 4.320 -0.000 0.000 0.217 312 A C 1.943 179.418 177.584 -0.183 0.000 1.181 312 A CA 1.406 53.373 52.037 -0.117 0.000 0.623 312 A CB -0.320 18.614 19.000 -0.110 0.000 0.818 312 A HN 0.278 nan 8.150 nan 0.000 0.443 313 M N -0.962 118.486 119.600 -0.253 0.000 2.349 313 M HA -0.043 4.437 4.480 -0.000 0.000 0.266 313 M C 2.167 178.285 176.300 -0.303 0.000 1.076 313 M CA 1.396 56.574 55.300 -0.204 0.000 1.126 313 M CB -1.161 31.292 32.600 -0.244 0.000 1.392 313 M HN 0.721 nan 8.290 nan 0.000 0.440 314 Q N 0.406 120.006 119.800 -0.333 0.000 2.170 314 Q HA -0.163 4.177 4.340 -0.000 0.000 0.203 314 Q C 2.051 177.824 176.000 -0.379 0.000 0.976 314 Q CA 1.617 57.106 55.803 -0.523 0.000 0.858 314 Q CB 0.139 28.774 28.738 -0.172 0.000 0.907 314 Q HN 0.351 nan 8.270 nan 0.000 0.433 315 R N -0.813 119.552 120.500 -0.225 0.000 2.075 315 R HA -0.077 4.263 4.340 -0.000 0.000 0.232 315 R C 2.468 178.679 176.300 -0.148 0.000 1.126 315 R CA 1.635 57.641 56.100 -0.156 0.000 0.963 315 R CB -0.400 29.845 30.300 -0.091 0.000 0.858 315 R HN 0.348 nan 8.270 nan 0.000 0.435 316 C N -0.025 119.183 119.300 -0.153 0.000 2.413 316 C HA -0.090 4.370 4.460 -0.000 0.000 0.276 316 C C 2.642 177.473 174.990 -0.265 0.000 1.248 316 C CA 0.648 59.605 59.018 -0.102 0.000 1.742 316 C CB -0.859 26.882 27.740 0.001 0.000 2.017 316 C HN 0.498 nan 8.230 nan 0.000 0.481 317 R N 1.147 121.230 120.500 -0.695 0.000 2.070 317 R HA -0.156 4.184 4.340 -0.000 0.000 0.232 317 R C 1.752 177.721 176.300 -0.552 0.000 1.138 317 R CA 2.238 57.613 56.100 -1.208 0.000 0.936 317 R CB -0.564 28.664 30.300 -1.787 0.000 0.839 317 R HN 0.427 nan 8.270 nan 0.000 0.429 318 D N -0.587 119.578 120.400 -0.393 0.000 2.133 318 D HA -0.212 4.428 4.640 -0.000 0.000 0.195 318 D C 1.743 177.984 176.300 -0.098 0.000 0.997 318 D CA 1.584 55.456 54.000 -0.214 0.000 0.840 318 D CB -0.482 40.218 40.800 -0.167 0.000 0.947 318 D HN 0.542 nan 8.370 nan 0.000 0.452 319 H N -0.354 118.602 119.070 -0.189 0.000 2.270 319 H HA -0.090 4.466 4.556 -0.000 0.000 0.299 319 H C 2.338 177.595 175.328 -0.119 0.000 1.077 319 H CA 1.377 57.349 56.048 -0.126 0.000 1.294 319 H CB -0.059 29.644 29.762 -0.099 0.000 1.371 319 H HN 0.003 nan 8.280 nan 0.000 0.491 320 M N 0.508 120.084 119.600 -0.041 0.000 2.082 320 M HA -0.211 4.269 4.480 -0.000 0.000 0.258 320 M C 2.184 178.421 176.300 -0.105 0.000 1.069 320 M CA 1.781 57.012 55.300 -0.115 0.000 1.102 320 M CB -0.134 32.400 32.600 -0.109 0.000 1.336 320 M HN 0.409 nan 8.290 nan 0.000 0.404 321 I N -0.396 120.107 120.570 -0.112 0.000 2.151 321 I HA -0.372 3.798 4.170 -0.000 0.000 0.243 321 I C 2.442 178.525 176.117 -0.058 0.000 1.080 321 I CA 1.608 62.853 61.300 -0.092 0.000 1.339 321 I CB -0.459 37.481 38.000 -0.101 0.000 1.039 321 I HN 0.358 nan 8.210 nan 0.000 0.409 322 R N 0.081 120.561 120.500 -0.032 0.000 2.073 322 R HA -0.082 4.258 4.340 -0.000 0.000 0.229 322 R C 2.512 178.805 176.300 -0.013 0.000 1.120 322 R CA 1.596 57.683 56.100 -0.022 0.000 0.967 322 R CB -0.298 29.985 30.300 -0.029 0.000 0.862 322 R HN 0.282 nan 8.270 nan 0.000 0.436 323 S N 1.336 117.047 115.700 0.017 0.000 2.356 323 S HA -0.085 4.384 4.470 -0.000 0.000 0.223 323 S C 1.975 176.543 174.600 -0.054 0.000 1.032 323 S CA 1.108 59.314 58.200 0.011 0.000 1.005 323 S CB -0.173 63.056 63.200 0.047 0.000 0.867 323 S HN 0.202 nan 8.310 nan 0.000 0.449 324 L N 1.087 122.245 121.223 -0.110 0.000 2.179 324 L HA -0.040 4.300 4.340 -0.000 0.000 0.208 324 L C 2.773 179.591 176.870 -0.088 0.000 1.096 324 L CA 0.805 55.552 54.840 -0.156 0.000 0.779 324 L CB -0.473 41.404 42.059 -0.303 0.000 0.922 324 L HN 0.341 nan 8.230 nan 0.000 0.443 325 Q N 0.559 120.326 119.800 -0.056 0.000 2.002 325 Q HA -0.166 4.174 4.340 -0.000 0.000 0.204 325 Q C 0.981 176.964 176.000 -0.028 0.000 0.988 325 Q CA 1.753 57.542 55.803 -0.024 0.000 0.843 325 Q CB 0.043 28.769 28.738 -0.020 0.000 0.908 325 Q HN 0.519 nan 8.270 nan 0.000 0.420 326 S N -0.420 115.257 115.700 -0.038 0.000 3.530 326 S HA 0.329 4.799 4.470 -0.000 0.000 0.279 326 S C -0.028 174.529 174.600 -0.071 0.000 1.280 326 S CA -0.463 57.712 58.200 -0.042 0.000 0.946 326 S CB 1.240 64.422 63.200 -0.029 0.000 1.501 326 S HN 0.237 nan 8.310 nan 0.000 0.498 327 V N 0.597 120.455 119.914 -0.092 0.000 5.721 327 V HA 0.236 4.356 4.120 -0.000 0.000 0.868 327 V C 1.277 177.321 176.094 -0.084 0.000 2.521 327 V CA 0.019 62.208 62.300 -0.186 0.000 4.146 327 V CB -0.393 31.220 31.823 -0.350 0.000 0.803 327 V HN 0.944 nan 8.190 nan 0.000 0.578 328 G N 0.792 109.592 108.800 0.001 0.000 2.278 328 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.210 328 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.210 328 G C 0.098 175.144 174.900 0.244 0.000 1.000 328 G CA 0.016 45.150 45.100 0.056 0.000 0.635 328 G HN 0.442 nan 8.290 nan 0.000 0.495 329 L N 0.636 122.013 121.223 0.255 0.000 2.456 329 L HA 0.470 4.810 4.340 -0.000 0.000 0.272 329 L C 0.594 177.541 176.870 0.127 0.000 1.189 329 L CA 0.035 54.998 54.840 0.205 0.000 0.846 329 L CB 0.737 42.851 42.059 0.092 0.000 1.111 329 L HN -0.004 nan 8.230 nan 0.000 0.475 330 K N 4.113 124.601 120.400 0.148 0.000 2.423 330 K HA 0.337 4.657 4.320 -0.000 0.000 0.234 330 K C -2.430 174.266 176.600 0.160 0.000 1.051 330 K CA -1.764 54.602 56.287 0.132 0.000 1.021 330 K CB 0.823 33.405 32.500 0.137 0.000 1.474 330 K HN 0.112 nan 8.250 nan 0.000 0.474 331 P HA 0.009 nan 4.420 nan 0.000 0.269 331 P C -0.974 176.411 177.300 0.142 0.000 1.209 331 P CA -0.371 62.800 63.100 0.118 0.000 0.776 331 P CB 0.596 32.322 31.700 0.043 0.000 0.876 332 L N 3.850 125.163 121.223 0.149 0.000 2.280 332 L HA 0.344 4.684 4.340 -0.000 0.000 0.287 332 L C 0.231 177.146 176.870 0.074 0.000 1.023 332 L CA -0.059 54.860 54.840 0.132 0.000 0.819 332 L CB 0.407 42.542 42.059 0.126 0.000 1.212 332 L HN 0.292 nan 8.230 nan 0.000 0.420 333 I N 6.479 127.089 120.570 0.065 0.000 2.533 333 I HA 0.149 4.319 4.170 -0.000 0.000 0.284 333 I C -1.837 174.305 176.117 0.043 0.000 1.109 333 I CA -1.425 59.896 61.300 0.035 0.000 1.412 333 I CB 0.746 38.765 38.000 0.032 0.000 1.396 333 I HN 0.386 nan 8.210 nan 0.000 0.543 334 P HA 0.187 nan 4.420 nan 0.000 0.284 334 P C -0.857 176.544 177.300 0.169 0.000 1.253 334 P CA -0.498 62.666 63.100 0.107 0.000 0.800 334 P CB 1.206 33.043 31.700 0.229 0.000 0.961 335 Q N 0.867 120.716 119.800 0.081 0.000 2.425 335 Q HA 0.342 4.682 4.340 -0.000 0.000 0.204 335 Q C 1.097 177.166 176.000 0.115 0.000 0.933 335 Q CA 0.561 56.410 55.803 0.076 0.000 0.939 335 Q CB 0.191 28.726 28.738 -0.339 0.000 1.044 335 Q HN 0.709 nan 8.270 nan 0.000 0.513 336 G N -0.954 107.924 108.800 0.131 0.000 2.561 336 G HA2 0.495 4.455 3.960 -0.000 0.000 0.310 336 G HA3 0.495 4.455 3.960 -0.000 0.000 0.310 336 G C -1.101 173.856 174.900 0.096 0.000 1.292 336 G CA -0.200 44.871 45.100 -0.047 0.000 0.811 336 G HN 0.499 nan 8.290 nan 0.000 0.482 337 S N -2.443 113.209 115.700 -0.080 0.000 3.845 337 S HA -0.238 4.232 4.470 -0.000 0.000 0.641 337 S C 0.295 174.725 174.600 -0.284 0.000 1.900 337 S CA 0.713 58.655 58.200 -0.430 0.000 2.062 337 S CB -1.119 61.801 63.200 -0.466 0.000 0.327 337 S HN 1.658 nan 8.310 nan 0.000 1.788 338 Y N 0.782 120.398 120.300 -1.139 0.000 2.490 338 Y HA 0.445 4.995 4.550 -0.000 0.000 0.281 338 Y C 0.726 175.537 175.900 -1.814 0.000 1.174 338 Y CA -0.678 56.536 58.100 -1.477 0.000 1.295 338 Y CB -0.423 36.964 38.460 -1.788 0.000 1.062 338 Y HN 0.471 nan 8.280 nan 0.000 0.522 339 F N 0.210 119.926 119.950 -0.391 0.000 2.563 339 F HA 0.552 5.079 4.527 -0.000 0.000 0.316 339 F C -0.456 175.458 175.800 0.191 0.000 1.076 339 F CA -1.838 56.073 58.000 -0.149 0.000 0.921 339 F CB 1.459 40.369 39.000 -0.150 0.000 1.209 339 F HN -0.346 nan 8.300 nan 0.000 0.462 340 L N 2.096 123.613 121.223 0.490 0.000 2.354 340 L HA 0.850 5.190 4.340 -0.000 0.000 0.269 340 L C -0.656 176.382 176.870 0.281 0.000 1.005 340 L CA -1.084 53.965 54.840 0.349 0.000 0.819 340 L CB 1.781 44.030 42.059 0.316 0.000 1.311 340 L HN 0.633 nan 8.230 nan 0.000 0.423 341 I N -0.457 120.201 120.570 0.147 0.000 2.498 341 I HA 0.853 5.023 4.170 -0.000 0.000 0.301 341 I C -0.204 176.073 176.117 0.267 0.000 0.984 341 I CA -0.335 61.067 61.300 0.170 0.000 1.204 341 I CB 2.063 40.054 38.000 -0.016 0.000 1.362 341 I HN 0.866 nan 8.210 nan 0.000 0.471 342 T N 0.231 115.008 114.554 0.372 0.000 2.829 342 T HA 0.295 4.645 4.350 -0.000 0.000 0.280 342 T C -0.435 174.492 174.700 0.379 0.000 0.999 342 T CA -0.726 61.584 62.100 0.349 0.000 0.983 342 T CB 1.627 70.677 68.868 0.304 0.000 0.968 342 T HN 0.683 nan 8.240 nan 0.000 0.446 343 D N 2.087 122.712 120.400 0.376 0.000 2.383 343 D HA 0.098 4.738 4.640 -0.000 0.000 0.252 343 D C 1.018 177.379 176.300 0.102 0.000 1.166 343 D CA -0.704 53.421 54.000 0.208 0.000 0.879 343 D CB 0.523 41.479 40.800 0.259 0.000 1.164 343 D HN 0.724 nan 8.370 nan 0.000 0.462 344 I N 0.826 121.393 120.570 -0.005 0.000 3.927 344 I HA 0.103 4.273 4.170 -0.000 0.000 0.332 344 I C 1.507 177.675 176.117 0.084 0.000 1.485 344 I CA -0.411 60.891 61.300 0.003 0.000 1.131 344 I CB 0.130 37.892 38.000 -0.396 0.000 1.092 344 I HN 0.186 nan 8.210 nan 0.000 0.410 345 S N 0.781 116.483 115.700 0.004 0.000 2.387 345 S HA -0.238 4.232 4.470 -0.000 0.000 0.230 345 S C 1.366 175.924 174.600 -0.069 0.000 1.035 345 S CA 1.783 59.913 58.200 -0.117 0.000 1.014 345 S CB -0.500 62.529 63.200 -0.285 0.000 0.836 345 S HN 0.529 nan 8.310 nan 0.000 0.466 346 D N 1.372 121.770 120.400 -0.004 0.000 2.084 346 D HA -0.030 4.610 4.640 -0.000 0.000 0.194 346 D C 1.568 177.825 176.300 -0.073 0.000 0.990 346 D CA 1.186 55.147 54.000 -0.066 0.000 0.826 346 D CB -0.717 40.018 40.800 -0.108 0.000 0.971 346 D HN 0.541 nan 8.370 nan 0.000 0.453 347 F N 1.033 120.993 119.950 0.017 0.000 2.250 347 F HA -0.101 4.426 4.527 -0.000 0.000 0.301 347 F C 2.357 178.201 175.800 0.073 0.000 1.077 347 F CA 0.817 58.884 58.000 0.112 0.000 1.348 347 F CB -0.102 39.061 39.000 0.271 0.000 1.040 347 F HN -0.102 nan 8.300 nan 0.000 0.509 348 K N 0.295 120.739 120.400 0.072 0.000 2.155 348 K HA -0.095 4.225 4.320 -0.000 0.000 0.203 348 K C 2.148 178.573 176.600 -0.293 0.000 1.052 348 K CA 0.854 56.896 56.287 -0.408 0.000 0.948 348 K CB 0.113 32.281 32.500 -0.555 0.000 0.728 348 K HN 0.215 nan 8.250 nan 0.000 0.448 349 R N 0.403 120.801 120.500 -0.171 0.000 2.051 349 R HA -0.002 4.338 4.340 -0.000 0.000 0.225 349 R C 2.236 178.477 176.300 -0.099 0.000 1.155 349 R CA 0.910 56.926 56.100 -0.141 0.000 0.945 349 R CB -0.256 29.967 30.300 -0.128 0.000 0.840 349 R HN -0.003 nan 8.270 nan 0.000 0.432 350 K N 0.086 120.432 120.400 -0.090 0.000 2.277 350 K HA -0.203 4.117 4.320 -0.000 0.000 0.206 350 K C 0.971 177.559 176.600 -0.021 0.000 1.044 350 K CA 1.538 57.784 56.287 -0.068 0.000 0.932 350 K CB 0.057 32.480 32.500 -0.127 0.000 0.726 350 K HN 0.186 nan 8.250 nan 0.000 0.473 351 M N -1.195 118.402 119.600 -0.005 0.000 4.752 351 M HA 0.071 4.551 4.480 -0.000 0.000 0.582 351 M C -2.274 174.048 176.300 0.037 0.000 2.135 351 M CA -0.498 54.815 55.300 0.021 0.000 0.515 351 M CB 1.218 33.839 32.600 0.036 0.000 1.472 351 M HN -0.171 nan 8.290 nan 0.000 0.624 352 P HA -0.062 nan 4.420 nan 0.000 0.220 352 P C -0.633 176.686 177.300 0.032 0.000 1.148 352 P CA 1.208 64.243 63.100 -0.108 0.000 0.803 352 P CB -0.035 31.587 31.700 -0.130 0.000 0.782 353 D N 0.670 121.100 120.400 0.050 0.000 2.274 353 D HA 0.406 5.046 4.640 -0.000 0.000 0.239 353 D C 0.079 176.431 176.300 0.086 0.000 1.104 353 D CA -0.110 53.932 54.000 0.069 0.000 0.840 353 D CB 1.895 42.716 40.800 0.035 0.000 1.100 353 D HN 0.081 nan 8.370 nan 0.000 0.477 354 L N 2.548 123.837 121.223 0.111 0.000 2.422 354 L HA 0.296 4.636 4.340 -0.000 0.000 0.264 354 L C -2.280 174.629 176.870 0.065 0.000 0.984 354 L CA -2.038 52.842 54.840 0.067 0.000 0.819 354 L CB 2.773 44.849 42.059 0.028 0.000 1.330 354 L HN 0.095 nan 8.230 nan 0.000 0.410 355 P HA 0.103 nan 4.420 nan 0.000 0.251 355 P C -0.452 176.875 177.300 0.044 0.000 1.154 355 P CA 0.364 63.496 63.100 0.053 0.000 0.805 355 P CB -0.040 31.698 31.700 0.064 0.000 0.759 356 G N 1.615 110.438 108.800 0.038 0.000 2.658 356 G HA2 0.492 4.452 3.960 -0.000 0.000 0.301 356 G HA3 0.492 4.452 3.960 -0.000 0.000 0.301 356 G C -0.330 174.586 174.900 0.026 0.000 1.481 356 G CA -0.122 44.995 45.100 0.029 0.000 0.931 356 G HN 0.521 nan 8.290 nan 0.000 0.573 357 A N 0.018 122.844 122.820 0.011 0.000 2.397 357 A HA 0.378 4.698 4.320 -0.000 0.000 0.467 357 A C 0.925 178.518 177.584 0.014 0.000 1.316 357 A CA 0.967 53.007 52.037 0.005 0.000 1.412 357 A CB -0.385 18.609 19.000 -0.010 0.000 1.192 357 A HN 1.932 nan 8.150 nan 0.000 0.595 358 V N -1.500 118.417 119.914 0.006 0.000 2.364 358 V HA 0.459 4.579 4.120 -0.000 0.000 0.272 358 V C -0.305 175.797 176.094 0.014 0.000 1.036 358 V CA 0.024 62.330 62.300 0.010 0.000 0.880 358 V CB 0.590 32.415 31.823 0.002 0.000 0.991 358 V HN 0.823 nan 8.190 nan 0.000 0.460 359 D N 1.459 121.874 120.400 0.026 0.000 2.708 359 D HA -0.201 4.439 4.640 -0.000 0.000 0.236 359 D C 0.383 176.705 176.300 0.038 0.000 1.146 359 D CA 1.471 55.491 54.000 0.033 0.000 0.662 359 D CB -0.467 40.347 40.800 0.024 0.000 1.059 359 D HN 1.022 nan 8.370 nan 0.000 0.428 360 E N 0.387 120.614 120.200 0.046 0.000 2.316 360 E HA 0.310 4.660 4.350 -0.000 0.000 0.275 360 E C -2.301 174.349 176.600 0.083 0.000 1.029 360 E CA -1.635 54.800 56.400 0.057 0.000 0.871 360 E CB 0.835 30.568 29.700 0.054 0.000 1.022 360 E HN -0.068 nan 8.360 nan 0.000 0.418 361 P HA -0.075 nan 4.420 nan 0.000 0.268 361 P C -0.360 177.033 177.300 0.155 0.000 1.208 361 P CA 0.062 63.230 63.100 0.113 0.000 0.777 361 P CB 0.314 32.069 31.700 0.092 0.000 0.875 362 Y N 3.120 123.452 120.300 0.054 0.000 2.114 362 Y HA -0.326 4.224 4.550 -0.000 0.000 0.282 362 Y C 2.037 178.007 175.900 0.116 0.000 1.165 362 Y CA 2.620 60.764 58.100 0.072 0.000 1.148 362 Y CB -0.684 37.803 38.460 0.044 0.000 0.972 362 Y HN 0.466 nan 8.280 nan 0.000 0.504 363 D N -0.443 119.997 120.400 0.067 0.000 2.149 363 D HA -0.221 4.419 4.640 -0.000 0.000 0.198 363 D C 2.082 178.389 176.300 0.010 0.000 0.990 363 D CA 1.637 55.630 54.000 -0.011 0.000 0.839 363 D CB -0.699 40.112 40.800 0.018 0.000 0.948 363 D HN 0.383 nan 8.370 nan 0.000 0.460 364 R N 0.155 120.682 120.500 0.044 0.000 2.070 364 R HA 0.047 4.386 4.340 -0.000 0.000 0.233 364 R C 2.804 179.218 176.300 0.190 0.000 1.137 364 R CA 1.291 57.483 56.100 0.152 0.000 0.945 364 R CB -0.094 30.320 30.300 0.190 0.000 0.845 364 R HN 0.213 nan 8.270 nan 0.000 0.430 365 R N -0.452 120.090 120.500 0.071 0.000 2.105 365 R HA -0.168 4.172 4.340 -0.000 0.000 0.239 365 R C 2.178 178.462 176.300 -0.026 0.000 1.135 365 R CA 1.544 57.655 56.100 0.018 0.000 0.967 365 R CB -0.470 29.828 30.300 -0.003 0.000 0.861 365 R HN 0.226 nan 8.270 nan 0.000 0.442 366 F N 1.269 121.019 119.950 -0.333 0.000 2.102 366 F HA -0.205 4.322 4.527 -0.000 0.000 0.298 366 F C 2.191 178.005 175.800 0.023 0.000 1.105 366 F CA 1.275 59.116 58.000 -0.265 0.000 1.239 366 F CB -0.162 38.545 39.000 -0.488 0.000 0.991 366 F HN -0.286 nan 8.300 nan 0.000 0.474 367 V N 1.384 121.434 119.914 0.228 0.000 2.332 367 V HA -0.338 3.782 4.120 -0.000 0.000 0.248 367 V C 2.390 178.536 176.094 0.087 0.000 1.055 367 V CA 2.191 64.572 62.300 0.135 0.000 1.038 367 V CB -0.745 31.068 31.823 -0.017 0.000 0.651 367 V HN 0.303 nan 8.190 nan 0.000 0.450 368 K N -1.074 119.435 120.400 0.181 0.000 2.020 368 K HA -0.292 4.028 4.320 -0.000 0.000 0.212 368 K C 1.910 178.475 176.600 -0.060 0.000 1.050 368 K CA 2.242 58.570 56.287 0.068 0.000 0.929 368 K CB -0.555 31.968 32.500 0.038 0.000 0.714 368 K HN 0.648 nan 8.250 nan 0.000 0.443 369 W N 1.946 123.090 121.300 -0.259 0.000 2.311 369 W HA -0.258 4.402 4.660 -0.000 0.000 0.326 369 W C 2.389 178.644 176.519 -0.440 0.000 1.239 369 W CA 2.035 59.176 57.345 -0.340 0.000 1.258 369 W CB -0.594 28.627 29.460 -0.398 0.000 1.165 369 W HN 0.013 nan 8.180 nan 0.000 0.466 370 M N 0.219 119.471 119.600 -0.580 0.000 2.116 370 M HA -0.326 4.153 4.480 -0.000 0.000 0.255 370 M C 1.976 177.927 176.300 -0.582 0.000 1.075 370 M CA 2.635 57.469 55.300 -0.777 0.000 1.087 370 M CB -0.557 31.791 32.600 -0.422 0.000 1.340 370 M HN 0.248 nan 8.290 nan 0.000 0.402 371 I N -0.300 120.033 120.570 -0.394 0.000 2.226 371 I HA -0.332 3.838 4.170 -0.000 0.000 0.245 371 I C 2.270 178.027 176.117 -0.601 0.000 1.100 371 I CA 1.424 62.496 61.300 -0.379 0.000 1.374 371 I CB -0.441 37.402 38.000 -0.262 0.000 1.057 371 I HN 0.315 nan 8.210 nan 0.000 0.413 372 K N 0.626 120.631 120.400 -0.658 0.000 1.973 372 K HA -0.110 4.210 4.320 -0.000 0.000 0.210 372 K C 1.901 178.243 176.600 -0.431 0.000 1.045 372 K CA 1.509 57.429 56.287 -0.611 0.000 0.937 372 K CB -0.259 32.039 32.500 -0.337 0.000 0.721 372 K HN 0.275 nan 8.250 nan 0.000 0.438 373 N N 0.605 118.929 118.700 -0.626 0.000 2.251 373 N HA -0.058 4.682 4.740 -0.000 0.000 0.181 373 N C 1.249 176.385 175.510 -0.623 0.000 1.019 373 N CA 1.030 53.692 53.050 -0.648 0.000 0.862 373 N CB 0.157 38.050 38.487 -0.990 0.000 0.992 373 N HN 0.101 nan 8.380 nan 0.000 0.429 374 K N -0.416 119.518 120.400 -0.776 0.000 2.374 374 K HA 0.244 4.564 4.320 -0.000 0.000 0.202 374 K C 0.555 176.934 176.600 -0.369 0.000 1.040 374 K CA 0.178 56.034 56.287 -0.720 0.000 1.085 374 K CB 0.974 32.650 32.500 -1.373 0.000 0.873 374 K HN 0.196 nan 8.250 nan 0.000 0.539 375 G N 2.149 110.767 108.800 -0.304 0.000 2.176 375 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.252 375 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.252 375 G C -0.221 174.636 174.900 -0.071 0.000 1.024 375 G CA 0.163 45.176 45.100 -0.146 0.000 0.755 375 G HN 0.208 nan 8.290 nan 0.000 0.507 376 L N -0.172 120.999 121.223 -0.087 0.000 2.385 376 L HA 0.611 4.951 4.340 -0.000 0.000 0.273 376 L C 0.272 177.155 176.870 0.022 0.000 0.990 376 L CA -1.360 53.507 54.840 0.044 0.000 0.821 376 L CB 2.385 44.562 42.059 0.197 0.000 1.279 376 L HN -0.050 nan 8.230 nan 0.000 0.412 377 V N 2.351 122.291 119.914 0.043 0.000 2.432 377 V HA 0.766 4.886 4.120 -0.000 0.000 0.275 377 V C 0.400 176.433 176.094 -0.102 0.000 1.043 377 V CA -0.240 62.055 62.300 -0.009 0.000 0.925 377 V CB 0.885 32.721 31.823 0.022 0.000 0.985 377 V HN 0.897 nan 8.190 nan 0.000 0.466 378 A N 5.804 128.473 122.820 -0.251 0.000 2.470 378 A HA 0.957 5.277 4.320 -0.000 0.000 0.271 378 A C -1.002 176.370 177.584 -0.354 0.000 1.269 378 A CA -0.733 51.008 52.037 -0.494 0.000 0.828 378 A CB 1.531 19.973 19.000 -0.930 0.000 1.374 378 A HN 0.564 nan 8.150 nan 0.000 0.454 379 I N 0.970 121.327 120.570 -0.355 0.000 2.498 379 I HA 0.376 4.546 4.170 -0.000 0.000 0.290 379 I C -2.652 173.265 176.117 -0.334 0.000 1.032 379 I CA -2.248 58.813 61.300 -0.397 0.000 1.073 379 I CB 1.686 39.551 38.000 -0.225 0.000 1.251 379 I HN 0.298 nan 8.210 nan 0.000 0.426 380 P HA 0.114 nan 4.420 nan 0.000 0.271 380 P C 1.047 178.284 177.300 -0.105 0.000 1.220 380 P CA -0.070 62.889 63.100 -0.235 0.000 0.768 380 P CB 1.195 32.735 31.700 -0.266 0.000 0.848 381 V N 2.759 122.729 119.914 0.092 0.000 2.720 381 V HA -0.226 3.894 4.120 -0.000 0.000 0.256 381 V C 2.350 178.636 176.094 0.320 0.000 1.082 381 V CA 2.605 65.100 62.300 0.324 0.000 1.101 381 V CB -1.378 30.626 31.823 0.301 0.000 0.693 381 V HN 0.673 nan 8.190 nan 0.000 0.479 382 S N 1.170 116.954 115.700 0.140 0.000 2.469 382 S HA -0.157 4.313 4.470 -0.000 0.000 0.238 382 S C 1.875 176.436 174.600 -0.065 0.000 0.998 382 S CA 1.483 59.761 58.200 0.130 0.000 0.957 382 S CB -0.899 62.342 63.200 0.068 0.000 0.764 382 S HN 0.807 nan 8.310 nan 0.000 0.514 383 I N -2.558 117.793 120.570 -0.367 0.000 3.001 383 I HA 0.166 4.336 4.170 -0.000 0.000 0.268 383 I C 0.650 176.215 176.117 -0.919 0.000 1.267 383 I CA 0.803 61.698 61.300 -0.674 0.000 1.472 383 I CB -0.483 36.948 38.000 -0.948 0.000 1.089 383 I HN 0.136 nan 8.210 nan 0.000 0.468 384 F N 0.067 119.747 119.950 -0.450 0.000 2.684 384 F HA 0.410 4.937 4.527 -0.000 0.000 0.298 384 F C -0.199 174.928 175.800 -1.123 0.000 1.120 384 F CA -0.582 56.873 58.000 -0.909 0.000 1.332 384 F CB -0.351 38.223 39.000 -0.710 0.000 0.986 384 F HN -0.065 nan 8.300 nan 0.000 0.524 385 Y N -0.283 119.786 120.300 -0.384 0.000 2.485 385 Y HA 0.408 4.958 4.550 -0.000 0.000 0.345 385 Y C 0.769 176.623 175.900 -0.075 0.000 0.998 385 Y CA -1.741 56.280 58.100 -0.131 0.000 1.059 385 Y CB 1.529 39.981 38.460 -0.013 0.000 1.234 385 Y HN -0.042 nan 8.280 nan 0.000 0.461 386 S N 0.006 115.695 115.700 -0.019 0.000 2.559 386 S HA 0.005 4.475 4.470 -0.000 0.000 0.282 386 S C 1.007 175.498 174.600 -0.181 0.000 1.336 386 S CA -0.554 57.347 58.200 -0.497 0.000 1.037 386 S CB 0.682 62.871 63.200 -1.685 0.000 0.853 386 S HN 0.542 nan 8.310 nan 0.000 0.523 387 V N 2.632 122.468 119.914 -0.130 0.000 2.287 387 V HA -0.102 4.018 4.120 -0.000 0.000 0.248 387 V C -0.524 175.573 176.094 0.004 0.000 1.053 387 V CA 1.889 64.172 62.300 -0.027 0.000 1.027 387 V CB -2.088 29.730 31.823 -0.007 0.000 0.646 387 V HN 0.760 nan 8.190 nan 0.000 0.447 388 P HA -0.136 nan 4.420 nan 0.000 0.226 388 P C 1.058 178.512 177.300 0.257 0.000 1.146 388 P CA 1.515 64.651 63.100 0.062 0.000 0.773 388 P CB -0.195 31.512 31.700 0.011 0.000 0.772 389 H N -2.267 116.865 119.070 0.103 0.000 2.755 389 H HA 0.201 4.757 4.556 -0.000 0.000 0.273 389 H C 1.689 177.148 175.328 0.219 0.000 1.055 389 H CA -0.157 56.029 56.048 0.230 0.000 1.191 389 H CB 0.410 30.359 29.762 0.311 0.000 1.536 389 H HN 0.182 nan 8.280 nan 0.000 0.529 390 Q N 1.416 121.362 119.800 0.243 0.000 2.124 390 Q HA -0.144 4.196 4.340 -0.000 0.000 0.202 390 Q C 2.164 178.238 176.000 0.124 0.000 0.977 390 Q CA 1.301 57.193 55.803 0.149 0.000 0.850 390 Q CB 0.118 28.920 28.738 0.107 0.000 0.901 390 Q HN 0.518 nan 8.270 nan 0.000 0.429 391 K N 0.078 120.557 120.400 0.130 0.000 2.002 391 K HA -0.248 4.072 4.320 -0.000 0.000 0.209 391 K C 1.837 178.486 176.600 0.082 0.000 1.048 391 K CA 1.923 58.269 56.287 0.097 0.000 0.930 391 K CB -0.609 31.942 32.500 0.086 0.000 0.714 391 K HN 0.235 nan 8.250 nan 0.000 0.438 392 H N 0.178 119.237 119.070 -0.018 0.000 2.423 392 H HA 0.005 4.560 4.556 -0.000 0.000 0.297 392 H C -0.014 175.115 175.328 -0.333 0.000 1.075 392 H CA 1.069 57.000 56.048 -0.195 0.000 1.342 392 H CB -0.005 29.578 29.762 -0.298 0.000 1.395 392 H HN 0.183 nan 8.280 nan 0.000 0.530 393 F N 1.017 120.821 119.950 -0.244 0.000 2.701 393 F HA 0.182 4.709 4.527 -0.000 0.000 0.315 393 F C 0.305 175.950 175.800 -0.258 0.000 1.277 393 F CA -0.481 57.267 58.000 -0.419 0.000 1.180 393 F CB 0.624 39.038 39.000 -0.976 0.000 1.273 393 F HN 0.246 nan 8.300 nan 0.000 0.532 394 D N -1.421 118.981 120.400 0.004 0.000 2.363 394 D HA -0.063 4.577 4.640 -0.000 0.000 0.214 394 D C 1.114 177.467 176.300 0.089 0.000 1.093 394 D CA 0.241 54.285 54.000 0.074 0.000 0.837 394 D CB -0.629 40.242 40.800 0.120 0.000 0.948 394 D HN 0.491 nan 8.370 nan 0.000 0.507 395 H N -1.420 117.579 119.070 -0.118 0.000 2.505 395 H HA 0.217 4.773 4.556 -0.000 0.000 0.286 395 H C -0.896 174.197 175.328 -0.393 0.000 1.072 395 H CA -0.522 55.376 56.048 -0.250 0.000 1.141 395 H CB -0.709 28.826 29.762 -0.380 0.000 1.550 395 H HN -0.005 nan 8.280 nan 0.000 0.547 396 Y N 1.351 121.602 120.300 -0.082 0.000 2.485 396 Y HA 0.489 5.039 4.550 -0.000 0.000 0.345 396 Y C 0.394 176.288 175.900 -0.010 0.000 0.998 396 Y CA -1.359 56.733 58.100 -0.014 0.000 1.059 396 Y CB 2.053 40.527 38.460 0.022 0.000 1.234 396 Y HN 0.163 nan 8.280 nan 0.000 0.461 397 I N -0.437 120.232 120.570 0.165 0.000 2.934 397 I HA 0.748 4.918 4.170 -0.000 0.000 0.306 397 I C -1.173 174.956 176.117 0.019 0.000 1.110 397 I CA -1.300 60.015 61.300 0.025 0.000 1.019 397 I CB 2.664 40.624 38.000 -0.068 0.000 1.227 397 I HN 0.587 nan 8.210 nan 0.000 0.434 398 R N 3.548 123.964 120.500 -0.141 0.000 2.439 398 R HA 0.579 4.919 4.340 -0.000 0.000 0.310 398 R C -2.191 174.017 176.300 -0.153 0.000 0.955 398 R CA -0.449 55.612 56.100 -0.064 0.000 0.853 398 R CB 1.269 31.513 30.300 -0.094 0.000 1.171 398 R HN 0.691 nan 8.270 nan 0.000 0.449 399 F N 2.604 122.649 119.950 0.159 0.000 2.492 399 F HA 0.424 4.951 4.527 -0.000 0.000 0.327 399 F C 0.204 176.150 175.800 0.243 0.000 1.079 399 F CA -0.796 57.315 58.000 0.185 0.000 0.967 399 F CB 1.736 40.836 39.000 0.167 0.000 1.169 399 F HN 0.413 nan 8.300 nan 0.000 0.472 400 C N 5.248 124.758 119.300 0.350 0.000 2.264 400 C HA 0.455 4.915 4.460 -0.000 0.000 0.324 400 C C 0.826 175.799 174.990 -0.028 0.000 1.267 400 C CA -0.809 58.247 59.018 0.064 0.000 1.618 400 C CB -1.489 26.287 27.740 0.060 0.000 2.278 400 C HN 0.832 nan 8.230 nan 0.000 0.499 401 F N 3.795 123.727 119.950 -0.030 0.000 2.727 401 F HA 0.390 4.917 4.527 -0.000 0.000 0.302 401 F C 0.441 176.169 175.800 -0.120 0.000 1.097 401 F CA -0.554 57.400 58.000 -0.076 0.000 1.330 401 F CB -0.774 38.165 39.000 -0.102 0.000 1.084 401 F HN 0.187 nan 8.300 nan 0.000 0.578 402 V N 4.261 123.943 119.914 -0.388 0.000 2.302 402 V HA 0.197 4.317 4.120 -0.000 0.000 0.244 402 V C -0.105 176.004 176.094 0.025 0.000 1.160 402 V CA 0.044 62.201 62.300 -0.239 0.000 1.127 402 V CB -0.994 30.368 31.823 -0.767 0.000 1.253 402 V HN 0.196 nan 8.190 nan 0.000 0.496 403 K N 1.883 122.446 120.400 0.271 0.000 2.536 403 K HA 0.392 4.712 4.320 -0.000 0.000 0.269 403 K C -0.635 176.181 176.600 0.359 0.000 0.965 403 K CA -0.876 55.586 56.287 0.293 0.000 0.860 403 K CB 2.213 34.767 32.500 0.090 0.000 1.423 403 K HN 0.421 nan 8.250 nan 0.000 0.438 404 D N 1.199 121.837 120.400 0.397 0.000 2.400 404 D HA -0.025 4.615 4.640 -0.000 0.000 0.238 404 D C 0.580 176.930 176.300 0.083 0.000 1.157 404 D CA 0.531 54.657 54.000 0.211 0.000 0.889 404 D CB 1.000 41.941 40.800 0.235 0.000 1.199 404 D HN 0.433 nan 8.370 nan 0.000 0.436 405 E N 1.406 121.630 120.200 0.040 0.000 2.150 405 E HA -0.150 4.200 4.350 -0.000 0.000 0.193 405 E C 1.848 178.479 176.600 0.052 0.000 0.985 405 E CA 0.782 57.206 56.400 0.040 0.000 0.814 405 E CB -0.001 29.721 29.700 0.037 0.000 0.752 405 E HN 0.559 nan 8.360 nan 0.000 0.466 406 A N 0.749 123.603 122.820 0.058 0.000 2.032 406 A HA -0.210 4.110 4.320 -0.000 0.000 0.221 406 A C 2.254 179.869 177.584 0.053 0.000 1.165 406 A CA 1.916 53.987 52.037 0.057 0.000 0.645 406 A CB -0.673 18.364 19.000 0.062 0.000 0.807 406 A HN 0.192 nan 8.150 nan 0.000 0.453 407 T N 0.079 114.665 114.554 0.053 0.000 2.894 407 T HA 0.056 4.406 4.350 -0.000 0.000 0.258 407 T C 1.786 176.492 174.700 0.010 0.000 1.043 407 T CA 1.142 63.267 62.100 0.042 0.000 1.141 407 T CB -0.298 68.602 68.868 0.053 0.000 0.873 407 T HN 0.382 nan 8.240 nan 0.000 0.449 408 L N 0.884 122.089 121.223 -0.031 0.000 2.046 408 L HA -0.133 4.207 4.340 -0.000 0.000 0.208 408 L C 2.872 179.714 176.870 -0.046 0.000 1.077 408 L CA 1.222 55.973 54.840 -0.148 0.000 0.747 408 L CB -0.609 41.237 42.059 -0.355 0.000 0.896 408 L HN 0.216 nan 8.230 nan 0.000 0.432 409 Q N 0.379 120.201 119.800 0.038 0.000 2.045 409 Q HA -0.233 4.107 4.340 -0.000 0.000 0.206 409 Q C 2.270 178.305 176.000 0.058 0.000 0.991 409 Q CA 2.419 58.265 55.803 0.071 0.000 0.851 409 Q CB -0.290 28.487 28.738 0.066 0.000 0.911 409 Q HN 0.473 nan 8.270 nan 0.000 0.418 410 A N 0.123 122.972 122.820 0.047 0.000 1.969 410 A HA -0.161 4.159 4.320 -0.000 0.000 0.218 410 A C 2.076 179.694 177.584 0.056 0.000 1.169 410 A CA 1.536 53.603 52.037 0.050 0.000 0.635 410 A CB -0.715 18.313 19.000 0.048 0.000 0.810 410 A HN 0.632 nan 8.150 nan 0.000 0.445 411 M N -0.350 119.279 119.600 0.048 0.000 2.086 411 M HA -0.185 4.295 4.480 -0.000 0.000 0.261 411 M C 1.284 177.630 176.300 0.076 0.000 1.067 411 M CA 2.376 57.712 55.300 0.060 0.000 1.116 411 M CB -0.515 32.098 32.600 0.022 0.000 1.348 411 M HN 0.320 nan 8.290 nan 0.000 0.407 412 D N 0.465 120.906 120.400 0.067 0.000 2.123 412 D HA -0.182 4.458 4.640 -0.000 0.000 0.196 412 D C 1.972 178.327 176.300 0.092 0.000 0.992 412 D CA 1.187 55.242 54.000 0.091 0.000 0.833 412 D CB -0.378 40.494 40.800 0.119 0.000 0.954 412 D HN 0.381 nan 8.370 nan 0.000 0.455 413 E N 0.909 121.157 120.200 0.080 0.000 2.049 413 E HA -0.171 4.179 4.350 -0.000 0.000 0.198 413 E C 2.026 178.680 176.600 0.090 0.000 1.007 413 E CA 0.884 57.329 56.400 0.075 0.000 0.809 413 E CB -0.110 29.626 29.700 0.059 0.000 0.749 413 E HN 0.147 nan 8.360 nan 0.000 0.450 414 K N 0.392 120.849 120.400 0.096 0.000 2.063 414 K HA -0.092 4.228 4.320 -0.000 0.000 0.208 414 K C 2.401 179.124 176.600 0.204 0.000 1.048 414 K CA 0.711 57.067 56.287 0.114 0.000 0.928 414 K CB -0.675 31.888 32.500 0.104 0.000 0.713 414 K HN 0.220 nan 8.250 nan 0.000 0.442 415 L N 0.152 121.504 121.223 0.215 0.000 2.141 415 L HA -0.117 4.223 4.340 -0.000 0.000 0.209 415 L C 2.598 179.595 176.870 0.212 0.000 1.094 415 L CA 0.998 55.993 54.840 0.257 0.000 0.763 415 L CB -0.163 41.982 42.059 0.144 0.000 0.908 415 L HN 0.166 nan 8.230 nan 0.000 0.437 416 R N -0.084 120.507 120.500 0.152 0.000 2.073 416 R HA -0.116 4.224 4.340 -0.000 0.000 0.229 416 R C 2.282 178.671 176.300 0.149 0.000 1.120 416 R CA 0.986 57.161 56.100 0.124 0.000 0.967 416 R CB -0.058 30.294 30.300 0.087 0.000 0.862 416 R HN 0.224 nan 8.270 nan 0.000 0.436 417 K N -0.259 120.230 120.400 0.148 0.000 2.074 417 K HA -0.221 4.099 4.320 -0.000 0.000 0.209 417 K C 1.755 178.483 176.600 0.213 0.000 1.048 417 K CA 1.470 57.838 56.287 0.134 0.000 0.926 417 K CB -0.195 32.355 32.500 0.083 0.000 0.713 417 K HN 0.239 nan 8.250 nan 0.000 0.444 418 W N 2.398 123.725 121.300 0.044 0.000 2.354 418 W HA -0.174 4.486 4.660 -0.000 0.000 0.315 418 W C 1.685 178.261 176.519 0.096 0.000 1.206 418 W CA 1.208 58.595 57.345 0.070 0.000 1.290 418 W CB -0.527 28.986 29.460 0.089 0.000 1.152 418 W HN -0.081 nan 8.180 nan 0.000 0.489 419 K N 0.199 120.778 120.400 0.297 0.000 2.077 419 K HA -0.179 4.141 4.320 -0.000 0.000 0.213 419 K C 1.289 177.978 176.600 0.147 0.000 1.051 419 K CA 1.739 58.106 56.287 0.133 0.000 0.929 419 K CB -1.101 31.445 32.500 0.076 0.000 0.715 419 K HN 0.028 nan 8.250 nan 0.000 0.451 420 V N 3.040 123.044 119.914 0.151 0.000 2.359 420 V HA -0.120 4.000 4.120 -0.000 0.000 0.283 420 V C 0.370 176.562 176.094 0.164 0.000 1.732 420 V CA 0.877 63.255 62.300 0.129 0.000 1.675 420 V CB -1.220 30.666 31.823 0.105 0.000 1.395 420 V HN 0.227 nan 8.190 nan 0.000 0.465 421 E N 0.000 120.318 120.200 0.196 0.000 2.725 421 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 421 E CA 0.000 56.528 56.400 0.212 0.000 0.976 421 E CB 0.000 29.888 29.700 0.313 0.000 0.812 421 E HN 0.000 nan 8.360 nan 0.000 0.440