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 3cnd_1_A DATA FIRST_RESID 5 DATA SEQUENCE SPAKKKVIII GAGIAGLKAA STLHQNGIQD CLVLEARDRV GGRLQTVTGY DATA SEQUENCE QGRKYDIGAS WHHDTLTNPL FLEEAQLSLN DGRTRFVFDD DNFIYIDEER DATA SEQUENCE GRVDHDKELL LEIVDNEMSK FAELEFHQHL GVSDCSFFQL VMKYLLQRRQ DATA SEQUENCE FLTNDQIRYL PQLCRYLELW HGLDWKLLSA KDTYFGHQGR NAFALNYDSV DATA SEQUENCE VQRIAQSFPQ NWLKLScEVK SITREPSKNV TVNcEDGTVY NADYVIITVP DATA SEQUENCE QSVLNLSVQP EKNLRGRIEF QPPLKPVIQD AFDKIHFGAL GKVIFEFEEC DATA SEQUENCE CWSNESSKIV TLANSTNEFV EIVRNAENLD ELDSMLEREX XXXXTSVTCW DATA SEQUENCE SQPLFFVNLS KSTGVASFMM LMQAPLTNHI ESIREDKERL FSFFQPVLNK DATA SEQUENCE IMKCLDSEDV IDGMRXXXXX XXANKPVLRN IIVSNWTRDP YSRGAYSACF DATA SEQUENCE PGDDPVDMVV AMSNGQDSRI RFAGEHTIMD GAGCAYGAWE SGRREATRIS DATA SEQUENCE DLLKLE 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 5 S HA 0.000 nan 4.470 nan 0.000 0.327 5 S C 0.000 174.559 174.600 -0.068 0.000 1.055 5 S CA 0.000 58.171 58.200 -0.048 0.000 1.107 5 S CB 0.000 63.170 63.200 -0.050 0.000 0.593 6 P HA 0.612 nan 4.420 nan 0.000 0.276 6 P C -0.591 176.677 177.300 -0.054 0.000 1.253 6 P CA 0.238 63.276 63.100 -0.104 0.000 0.766 6 P CB 0.683 32.331 31.700 -0.086 0.000 0.845 7 A N 4.446 127.231 122.820 -0.058 0.000 2.565 7 A HA 0.040 4.361 4.320 0.001 0.000 0.237 7 A C 0.625 178.265 177.584 0.093 0.000 1.053 7 A CA 0.166 52.228 52.037 0.043 0.000 0.755 7 A CB -0.114 18.955 19.000 0.115 0.000 0.980 7 A HN 0.443 nan 8.150 nan 0.000 0.506 8 K N 2.099 122.529 120.400 0.049 0.000 2.249 8 K HA 0.357 4.677 4.320 0.001 0.000 0.280 8 K C -0.294 176.312 176.600 0.010 0.000 1.033 8 K CA 0.001 56.304 56.287 0.027 0.000 0.946 8 K CB 0.946 33.450 32.500 0.006 0.000 1.005 8 K HN 0.653 nan 8.250 nan 0.000 0.469 9 K N 2.645 123.032 120.400 -0.021 0.000 2.498 9 K HA 0.236 4.556 4.320 0.001 0.000 0.254 9 K C 0.401 176.951 176.600 -0.084 0.000 0.933 9 K CA -0.838 55.397 56.287 -0.087 0.000 0.806 9 K CB 1.828 34.238 32.500 -0.151 0.000 1.301 9 K HN 0.128 nan 8.250 nan 0.000 0.432 10 K N 0.186 120.524 120.400 -0.104 0.000 2.062 10 K HA 0.092 4.413 4.320 0.001 0.000 0.205 10 K C 0.365 176.945 176.600 -0.032 0.000 1.051 10 K CA 0.915 57.172 56.287 -0.049 0.000 0.941 10 K CB 0.340 32.810 32.500 -0.051 0.000 0.719 10 K HN 0.343 nan 8.250 nan 0.000 0.440 11 V N 1.360 121.188 119.914 -0.143 0.000 2.733 11 V HA 0.334 4.455 4.120 0.001 0.000 0.306 11 V C -1.198 174.755 176.094 -0.234 0.000 1.084 11 V CA -0.903 61.316 62.300 -0.135 0.000 0.905 11 V CB 2.284 34.012 31.823 -0.158 0.000 1.010 11 V HN -0.050 nan 8.190 nan 0.000 0.424 12 I N 5.353 125.818 120.570 -0.175 0.000 2.406 12 I HA 0.527 4.698 4.170 0.001 0.000 0.290 12 I C -0.382 175.639 176.117 -0.161 0.000 0.999 12 I CA -0.389 60.785 61.300 -0.211 0.000 1.124 12 I CB 1.863 39.751 38.000 -0.187 0.000 1.289 12 I HN 0.477 nan 8.210 nan 0.000 0.441 13 I N 6.703 127.172 120.570 -0.169 0.000 2.354 13 I HA 0.349 4.520 4.170 0.001 0.000 0.292 13 I C -0.380 175.690 176.117 -0.079 0.000 0.989 13 I CA -0.764 60.469 61.300 -0.112 0.000 1.188 13 I CB 1.765 39.698 38.000 -0.112 0.000 1.342 13 I HN 0.289 nan 8.210 nan 0.000 0.457 14 I N 5.719 126.262 120.570 -0.044 0.000 2.304 14 I HA 0.614 4.785 4.170 0.001 0.000 0.291 14 I C 0.577 176.704 176.117 0.017 0.000 1.018 14 I CA 0.047 61.335 61.300 -0.020 0.000 1.260 14 I CB 0.941 38.939 38.000 -0.004 0.000 1.390 14 I HN 0.767 nan 8.210 nan 0.000 0.475 15 G N 4.495 113.302 108.800 0.011 0.000 3.225 15 G HA2 0.243 4.203 3.960 0.001 0.000 0.686 15 G HA3 0.243 4.203 3.960 0.001 0.000 0.686 15 G C -0.263 174.668 174.900 0.051 0.000 1.105 15 G CA -0.460 44.662 45.100 0.037 0.000 0.831 15 G HN 0.955 nan 8.290 nan 0.000 0.578 16 A N 1.661 124.519 122.820 0.062 0.000 2.708 16 A HA 0.758 5.079 4.320 0.001 0.000 0.293 16 A C 1.457 179.102 177.584 0.102 0.000 1.303 16 A CA 1.161 53.254 52.037 0.094 0.000 0.949 16 A CB -0.248 18.811 19.000 0.098 0.000 1.121 16 A HN 2.141 nan 8.150 nan 0.000 0.542 17 G N -0.826 108.031 108.800 0.095 0.000 2.553 17 G HA2 0.338 4.299 3.960 0.001 0.000 0.278 17 G HA3 0.338 4.299 3.960 0.001 0.000 0.278 17 G C 0.965 175.926 174.900 0.101 0.000 1.349 17 G CA -0.293 44.861 45.100 0.090 0.000 1.037 17 G HN 0.306 nan 8.290 nan 0.000 0.508 18 I N -0.073 120.553 120.570 0.093 0.000 2.454 18 I HA -0.136 4.034 4.170 0.001 0.000 0.254 18 I C 2.766 178.973 176.117 0.151 0.000 1.156 18 I CA 1.451 62.836 61.300 0.142 0.000 1.433 18 I CB 0.035 38.117 38.000 0.137 0.000 1.082 18 I HN 0.480 nan 8.210 nan 0.000 0.432 19 A N 0.309 123.191 122.820 0.104 0.000 1.840 19 A HA -0.075 4.246 4.320 0.001 0.000 0.214 19 A C 2.374 179.980 177.584 0.036 0.000 1.198 19 A CA 1.507 53.583 52.037 0.065 0.000 0.608 19 A CB -1.559 17.474 19.000 0.055 0.000 0.839 19 A HN 0.442 nan 8.150 nan 0.000 0.443 20 G N -0.316 108.513 108.800 0.050 0.000 2.422 20 G HA2 -0.152 3.808 3.960 0.001 0.000 0.218 20 G HA3 -0.152 3.808 3.960 0.001 0.000 0.218 20 G C 1.548 176.470 174.900 0.036 0.000 1.146 20 G CA 1.016 46.131 45.100 0.026 0.000 0.769 20 G HN 0.402 nan 8.290 nan 0.000 0.547 21 L N -0.168 121.122 121.223 0.111 0.000 2.083 21 L HA -0.037 4.304 4.340 0.001 0.000 0.209 21 L C 2.775 179.749 176.870 0.174 0.000 1.083 21 L CA 1.521 56.488 54.840 0.212 0.000 0.752 21 L CB -0.237 41.974 42.059 0.253 0.000 0.899 21 L HN 0.216 nan 8.230 nan 0.000 0.433 22 K N 0.610 121.065 120.400 0.091 0.000 2.116 22 K HA -0.034 4.287 4.320 0.001 0.000 0.203 22 K C 1.996 178.536 176.600 -0.099 0.000 1.052 22 K CA 1.335 57.615 56.287 -0.012 0.000 0.952 22 K CB -0.216 32.155 32.500 -0.216 0.000 0.729 22 K HN 0.161 nan 8.250 nan 0.000 0.446 23 A N 0.612 123.370 122.820 -0.105 0.000 1.933 23 A HA -0.042 4.279 4.320 0.001 0.000 0.218 23 A C 2.351 179.862 177.584 -0.121 0.000 1.175 23 A CA 1.964 53.927 52.037 -0.124 0.000 0.628 23 A CB -0.957 17.980 19.000 -0.106 0.000 0.814 23 A HN 0.426 nan 8.150 nan 0.000 0.444 24 A N -1.069 121.651 122.820 -0.167 0.000 1.897 24 A HA -0.018 4.302 4.320 0.001 0.000 0.215 24 A C 2.445 179.891 177.584 -0.230 0.000 1.181 24 A CA 1.894 53.751 52.037 -0.300 0.000 0.620 24 A CB -0.903 17.637 19.000 -0.766 0.000 0.821 24 A HN 0.539 nan 8.150 nan 0.000 0.443 25 S N -0.607 115.046 115.700 -0.079 0.000 2.359 25 S HA -0.166 4.305 4.470 0.001 0.000 0.224 25 S C 2.086 176.742 174.600 0.094 0.000 1.035 25 S CA 2.370 60.672 58.200 0.171 0.000 1.018 25 S CB -0.627 62.716 63.200 0.237 0.000 0.876 25 S HN 0.616 nan 8.310 nan 0.000 0.448 26 T N 2.998 117.554 114.554 0.004 0.000 2.684 26 T HA -0.030 4.321 4.350 0.001 0.000 0.267 26 T C 1.765 176.467 174.700 0.004 0.000 1.036 26 T CA 1.556 63.639 62.100 -0.027 0.000 1.148 26 T CB -0.501 68.308 68.868 -0.097 0.000 0.863 26 T HN 0.318 nan 8.240 nan 0.000 0.436 27 L N 0.282 121.522 121.223 0.029 0.000 1.990 27 L HA -0.187 4.154 4.340 0.001 0.000 0.213 27 L C 2.611 179.594 176.870 0.188 0.000 1.072 27 L CA 1.889 56.784 54.840 0.091 0.000 0.755 27 L CB -0.655 41.474 42.059 0.115 0.000 0.889 27 L HN 0.343 nan 8.230 nan 0.000 0.432 28 H N -0.431 118.715 119.070 0.127 0.000 2.489 28 H HA -0.185 4.371 4.556 0.001 0.000 0.293 28 H C 2.215 177.549 175.328 0.010 0.000 1.066 28 H CA 1.606 57.666 56.048 0.019 0.000 1.305 28 H CB 0.092 29.728 29.762 -0.211 0.000 1.386 28 H HN 0.332 nan 8.280 nan 0.000 0.551 29 Q N -0.171 119.582 119.800 -0.078 0.000 2.096 29 Q HA -0.057 4.283 4.340 0.001 0.000 0.197 29 Q C 0.573 176.508 176.000 -0.109 0.000 0.964 29 Q CA 1.036 56.761 55.803 -0.129 0.000 0.838 29 Q CB 0.280 28.997 28.738 -0.036 0.000 0.906 29 Q HN 0.509 nan 8.270 nan 0.000 0.444 30 N N -0.029 118.638 118.700 -0.054 0.000 2.346 30 N HA 0.090 4.831 4.740 0.001 0.000 0.225 30 N C 0.106 175.600 175.510 -0.026 0.000 1.144 30 N CA 0.834 53.860 53.050 -0.041 0.000 0.837 30 N CB 0.730 39.197 38.487 -0.033 0.000 1.069 30 N HN 0.376 nan 8.380 nan 0.000 0.487 31 G N 0.920 109.693 108.800 -0.046 0.000 2.273 31 G HA2 -0.249 3.711 3.960 0.001 0.000 0.280 31 G HA3 -0.249 3.711 3.960 0.001 0.000 0.280 31 G C -0.102 174.841 174.900 0.071 0.000 1.047 31 G CA -0.133 44.963 45.100 -0.006 0.000 0.869 31 G HN 0.258 nan 8.290 nan 0.000 0.502 32 I N -0.269 120.382 120.570 0.134 0.000 2.428 32 I HA 0.466 4.636 4.170 0.001 0.000 0.296 32 I C 0.588 176.902 176.117 0.327 0.000 0.985 32 I CA -0.382 61.014 61.300 0.160 0.000 1.260 32 I CB 1.351 39.410 38.000 0.098 0.000 1.389 32 I HN 0.324 nan 8.210 nan 0.000 0.484 33 Q N 3.052 122.990 119.800 0.229 0.000 2.528 33 Q HA 0.373 4.714 4.340 0.001 0.000 0.289 33 Q C -1.159 174.877 176.000 0.061 0.000 1.091 33 Q CA -0.822 55.171 55.803 0.316 0.000 0.797 33 Q CB 2.190 31.084 28.738 0.260 0.000 1.466 33 Q HN 0.521 nan 8.270 nan 0.000 0.436 34 D N -0.007 120.406 120.400 0.022 0.000 2.737 34 D HA -0.136 4.504 4.640 0.001 0.000 0.243 34 D C -1.148 174.882 176.300 -0.449 0.000 1.109 34 D CA 0.500 54.405 54.000 -0.159 0.000 0.702 34 D CB -1.507 39.254 40.800 -0.064 0.000 1.068 34 D HN 0.381 nan 8.370 nan 0.000 0.432 35 C N 0.338 119.013 119.300 -1.041 0.000 2.562 35 C HA 0.816 5.277 4.460 0.001 0.000 0.332 35 C C 0.085 174.368 174.990 -1.179 0.000 1.201 35 C CA -0.675 57.600 59.018 -1.238 0.000 1.803 35 C CB 1.795 28.451 27.740 -1.806 0.000 2.328 35 C HN 0.417 nan 8.230 nan 0.000 0.500 36 L N 1.727 122.526 121.223 -0.706 0.000 2.409 36 L HA 0.724 5.065 4.340 0.001 0.000 0.262 36 L C -0.899 175.798 176.870 -0.288 0.000 0.992 36 L CA -0.175 54.394 54.840 -0.453 0.000 0.817 36 L CB 2.207 43.961 42.059 -0.509 0.000 1.350 36 L HN 0.457 nan 8.230 nan 0.000 0.411 37 V N 4.970 124.813 119.914 -0.119 0.000 2.325 37 V HA 0.417 4.537 4.120 0.001 0.000 0.280 37 V C -0.338 175.737 176.094 -0.032 0.000 1.016 37 V CA -0.525 61.749 62.300 -0.043 0.000 0.818 37 V CB 1.319 33.197 31.823 0.091 0.000 1.019 37 V HN 0.477 nan 8.190 nan 0.000 0.434 38 L N 4.236 125.416 121.223 -0.072 0.000 2.260 38 L HA 0.636 4.977 4.340 0.001 0.000 0.289 38 L C -0.030 176.818 176.870 -0.038 0.000 1.057 38 L CA -0.181 54.624 54.840 -0.058 0.000 0.811 38 L CB 1.090 43.101 42.059 -0.079 0.000 1.184 38 L HN 0.563 nan 8.230 nan 0.000 0.429 39 E N 2.379 122.558 120.200 -0.033 0.000 2.218 39 E HA 0.477 4.827 4.350 0.001 0.000 0.263 39 E C 0.223 176.754 176.600 -0.116 0.000 0.879 39 E CA -0.371 55.998 56.400 -0.052 0.000 0.762 39 E CB 2.040 31.737 29.700 -0.005 0.000 1.166 39 E HN 0.537 nan 8.360 nan 0.000 0.415 40 A N 5.412 128.085 122.820 -0.245 0.000 1.933 40 A HA -0.031 4.289 4.320 0.001 0.000 0.218 40 A C 1.119 178.497 177.584 -0.344 0.000 1.175 40 A CA 0.968 52.735 52.037 -0.449 0.000 0.628 40 A CB -0.174 18.161 19.000 -1.108 0.000 0.814 40 A HN 0.580 nan 8.150 nan 0.000 0.444 41 R N -0.098 120.273 120.500 -0.216 0.000 2.580 41 R HA 0.232 4.573 4.340 0.001 0.000 0.267 41 R C -0.053 176.241 176.300 -0.010 0.000 1.125 41 R CA 0.186 56.260 56.100 -0.043 0.000 1.188 41 R CB 0.126 30.456 30.300 0.050 0.000 1.155 41 R HN 0.455 nan 8.270 nan 0.000 0.586 42 D N 0.173 120.587 120.400 0.022 0.000 2.352 42 D HA -0.003 4.638 4.640 0.001 0.000 0.236 42 D C -0.069 176.247 176.300 0.026 0.000 1.148 42 D CA -0.065 53.947 54.000 0.020 0.000 0.844 42 D CB -0.052 40.762 40.800 0.023 0.000 0.933 42 D HN 0.420 nan 8.370 nan 0.000 0.507 43 R N -1.431 119.090 120.500 0.034 0.000 2.734 43 R HA 0.609 4.950 4.340 0.001 0.000 0.271 43 R C -0.833 175.500 176.300 0.056 0.000 1.021 43 R CA -1.123 55.003 56.100 0.044 0.000 0.893 43 R CB 1.077 31.409 30.300 0.052 0.000 1.244 43 R HN -0.086 nan 8.270 nan 0.000 0.464 44 V N -1.763 118.188 119.914 0.061 0.000 3.234 44 V HA 0.881 5.001 4.120 0.001 0.000 0.317 44 V C 0.912 177.057 176.094 0.085 0.000 1.081 44 V CA 0.395 62.740 62.300 0.076 0.000 1.037 44 V CB 0.772 32.642 31.823 0.078 0.000 1.148 44 V HN 1.199 nan 8.190 nan 0.000 0.453 45 G N -0.762 108.093 108.800 0.091 0.000 2.424 45 G HA2 0.157 4.118 3.960 0.001 0.000 0.207 45 G HA3 0.157 4.118 3.960 0.001 0.000 0.207 45 G C 1.664 176.614 174.900 0.082 0.000 1.061 45 G CA 0.797 45.947 45.100 0.084 0.000 0.657 45 G HN 2.691 nan 8.290 nan 0.000 0.508 46 G N 0.582 109.455 108.800 0.121 0.000 2.596 46 G HA2 -0.380 3.580 3.960 0.001 0.000 0.304 46 G HA3 -0.380 3.580 3.960 0.001 0.000 0.304 46 G C 0.843 175.824 174.900 0.134 0.000 1.189 46 G CA 1.351 46.536 45.100 0.140 0.000 0.986 46 G HN 1.220 nan 8.290 nan 0.000 0.548 47 R N 0.235 120.705 120.500 -0.050 0.000 2.346 47 R HA 0.251 4.592 4.340 0.001 0.000 0.199 47 R C 0.376 176.521 176.300 -0.258 0.000 1.015 47 R CA 0.169 56.049 56.100 -0.367 0.000 1.058 47 R CB -0.314 29.729 30.300 -0.429 0.000 0.921 47 R HN 0.340 nan 8.270 nan 0.000 0.475 48 L N 1.425 122.597 121.223 -0.085 0.000 2.295 48 L HA 0.344 4.685 4.340 0.001 0.000 0.281 48 L C -0.515 176.403 176.870 0.079 0.000 1.018 48 L CA -0.376 54.406 54.840 -0.098 0.000 0.841 48 L CB 1.431 43.372 42.059 -0.197 0.000 1.218 48 L HN 0.046 nan 8.230 nan 0.000 0.424 49 Q N 2.650 122.547 119.800 0.162 0.000 2.263 49 Q HA 0.389 4.730 4.340 0.001 0.000 0.262 49 Q C -1.504 174.581 176.000 0.143 0.000 0.984 49 Q CA -0.515 55.399 55.803 0.184 0.000 0.813 49 Q CB 2.475 31.378 28.738 0.276 0.000 1.299 49 Q HN 0.536 nan 8.270 nan 0.000 0.428 50 T N 3.424 118.036 114.554 0.097 0.000 2.749 50 T HA 0.485 4.835 4.350 0.001 0.000 0.287 50 T C 0.215 174.957 174.700 0.069 0.000 0.970 50 T CA -0.473 61.673 62.100 0.077 0.000 0.980 50 T CB 0.929 69.823 68.868 0.042 0.000 0.924 50 T HN 0.498 nan 8.240 nan 0.000 0.456 51 V N 1.253 121.222 119.914 0.092 0.000 3.193 51 V HA 0.871 4.991 4.120 0.001 0.000 0.320 51 V C -0.117 176.039 176.094 0.103 0.000 1.112 51 V CA -0.778 61.571 62.300 0.082 0.000 1.026 51 V CB 1.737 33.602 31.823 0.071 0.000 1.128 51 V HN 0.769 nan 8.190 nan 0.000 0.452 52 T N 0.981 115.587 114.554 0.088 0.000 2.863 52 T HA 0.827 5.177 4.350 0.001 0.000 0.285 52 T C 0.163 174.945 174.700 0.136 0.000 1.009 52 T CA 0.252 62.404 62.100 0.088 0.000 0.989 52 T CB 1.376 70.264 68.868 0.034 0.000 1.004 52 T HN 1.346 nan 8.240 nan 0.000 0.455 53 G N 0.275 109.196 108.800 0.200 0.000 3.247 53 G HA2 0.488 4.448 3.960 0.001 0.000 0.226 53 G HA3 0.488 4.448 3.960 0.001 0.000 0.226 53 G C -1.110 173.916 174.900 0.210 0.000 1.220 53 G CA -0.810 44.431 45.100 0.236 0.000 0.875 53 G HN 0.619 nan 8.290 nan 0.000 0.606 54 Y N 1.548 121.918 120.300 0.116 0.000 2.916 54 Y HA -0.003 4.548 4.550 0.001 0.000 0.344 54 Y C 1.557 177.502 175.900 0.076 0.000 1.282 54 Y CA 2.039 60.189 58.100 0.083 0.000 1.604 54 Y CB 0.002 38.516 38.460 0.091 0.000 1.207 54 Y HN 0.739 nan 8.280 nan 0.000 0.561 55 Q N 3.067 122.641 119.800 -0.377 0.000 2.416 55 Q HA -0.276 4.064 4.340 0.001 0.000 0.235 55 Q C 1.004 176.935 176.000 -0.115 0.000 0.773 55 Q CA 0.947 56.575 55.803 -0.293 0.000 1.286 55 Q CB -1.932 26.632 28.738 -0.291 0.000 1.556 55 Q HN 1.445 nan 8.270 nan 0.000 0.650 56 G N 0.260 109.024 108.800 -0.059 0.000 2.132 56 G HA2 -0.319 3.641 3.960 0.001 0.000 0.234 56 G HA3 -0.319 3.641 3.960 0.001 0.000 0.234 56 G C -0.043 174.821 174.900 -0.060 0.000 0.989 56 G CA 0.150 45.222 45.100 -0.046 0.000 0.676 56 G HN 0.268 nan 8.290 nan 0.000 0.522 57 R N 0.621 121.094 120.500 -0.044 0.000 2.537 57 R HA 0.408 4.749 4.340 0.001 0.000 0.280 57 R C 0.353 176.417 176.300 -0.393 0.000 1.058 57 R CA 0.211 56.199 56.100 -0.186 0.000 1.057 57 R CB 0.600 30.857 30.300 -0.073 0.000 0.973 57 R HN 0.161 nan 8.270 nan 0.000 0.438 58 K N 3.181 123.268 120.400 -0.521 0.000 2.156 58 K HA 0.374 4.694 4.320 0.001 0.000 0.254 58 K C -0.995 175.199 176.600 -0.676 0.000 0.950 58 K CA -0.600 55.431 56.287 -0.425 0.000 0.849 58 K CB 1.656 34.041 32.500 -0.191 0.000 1.100 58 K HN 0.425 nan 8.250 nan 0.000 0.434 59 Y N -0.379 119.936 120.300 0.025 0.000 2.544 59 Y HA 0.168 4.718 4.550 0.001 0.000 0.342 59 Y C -0.407 175.496 175.900 0.004 0.000 1.062 59 Y CA -1.199 56.916 58.100 0.024 0.000 1.023 59 Y CB 1.532 40.013 38.460 0.035 0.000 1.308 59 Y HN 0.433 nan 8.280 nan 0.000 0.457 60 D N 2.102 122.580 120.400 0.130 0.000 2.295 60 D HA 0.150 4.791 4.640 0.001 0.000 0.248 60 D C 0.268 176.640 176.300 0.120 0.000 1.154 60 D CA 0.202 54.245 54.000 0.071 0.000 0.857 60 D CB 1.978 42.748 40.800 -0.050 0.000 1.117 60 D HN 0.538 nan 8.370 nan 0.000 0.468 61 I N 2.248 122.925 120.570 0.178 0.000 3.860 61 I HA 0.143 4.314 4.170 0.001 0.000 0.319 61 I C 1.197 177.592 176.117 0.463 0.000 1.279 61 I CA 0.272 61.711 61.300 0.231 0.000 1.220 61 I CB 0.313 38.393 38.000 0.134 0.000 1.027 61 I HN 0.413 nan 8.210 nan 0.000 0.428 62 G N -0.499 108.515 108.800 0.357 0.000 3.414 62 G HA2 0.583 4.543 3.960 0.001 0.000 0.189 62 G HA3 0.583 4.543 3.960 0.001 0.000 0.189 62 G C -0.254 174.646 174.900 -0.000 0.000 1.329 62 G CA 0.067 45.265 45.100 0.162 0.000 0.851 62 G HN 0.299 nan 8.290 nan 0.000 0.671 63 A N -0.469 122.265 122.820 -0.145 0.000 2.511 63 A HA 0.521 4.842 4.320 0.001 0.000 0.242 63 A C 1.002 178.574 177.584 -0.021 0.000 1.069 63 A CA 0.822 52.768 52.037 -0.152 0.000 0.763 63 A CB 0.592 19.318 19.000 -0.457 0.000 1.001 63 A HN 0.491 nan 8.150 nan 0.000 0.498 64 S N 0.952 116.625 115.700 -0.046 0.000 2.613 64 S HA 0.174 4.645 4.470 0.001 0.000 0.235 64 S C 0.178 174.407 174.600 -0.618 0.000 1.073 64 S CA -0.194 57.718 58.200 -0.479 0.000 0.899 64 S CB 0.119 62.742 63.200 -0.963 0.000 0.818 64 S HN 0.771 nan 8.310 nan 0.000 0.484 65 W N 1.837 123.039 121.300 -0.164 0.000 2.655 65 W HA 0.476 5.136 4.660 0.001 0.000 0.358 65 W C -0.328 175.902 176.519 -0.482 0.000 1.100 65 W CA -0.575 56.569 57.345 -0.335 0.000 1.195 65 W CB 0.289 29.590 29.460 -0.266 0.000 1.403 65 W HN 0.119 nan 8.180 nan 0.000 0.589 66 H N 1.883 120.884 119.070 -0.114 0.000 2.597 66 H HA 0.211 4.767 4.556 0.001 0.000 0.303 66 H C 0.245 175.446 175.328 -0.211 0.000 1.057 66 H CA -0.080 55.873 56.048 -0.159 0.000 1.261 66 H CB 0.590 30.189 29.762 -0.271 0.000 1.397 66 H HN 0.183 nan 8.280 nan 0.000 0.461 67 H N 1.797 121.003 119.070 0.226 0.000 2.509 67 H HA 0.018 4.575 4.556 0.001 0.000 0.359 67 H C 0.410 175.782 175.328 0.074 0.000 1.253 67 H CA -0.346 55.817 56.048 0.190 0.000 1.373 67 H CB 0.813 30.780 29.762 0.342 0.000 1.555 67 H HN 0.636 nan 8.280 nan 0.000 0.586 68 D N 0.434 120.970 120.400 0.226 0.000 2.686 68 D HA -0.159 4.482 4.640 0.001 0.000 0.235 68 D C 1.110 177.354 176.300 -0.094 0.000 1.160 68 D CA 1.088 55.142 54.000 0.089 0.000 0.645 68 D CB -1.696 39.187 40.800 0.139 0.000 1.039 68 D HN 0.770 nan 8.370 nan 0.000 0.423 69 T N -2.971 111.468 114.554 -0.193 0.000 2.969 69 T HA -0.140 4.210 4.350 0.001 0.000 0.271 69 T C 1.989 176.646 174.700 -0.072 0.000 1.127 69 T CA 0.481 62.360 62.100 -0.369 0.000 1.102 69 T CB -0.010 68.456 68.868 -0.669 0.000 0.855 69 T HN 0.443 nan 8.240 nan 0.000 0.536 70 L N 1.346 122.558 121.223 -0.019 0.000 2.395 70 L HA 0.097 4.437 4.340 0.001 0.000 0.218 70 L C 2.344 179.224 176.870 0.018 0.000 1.130 70 L CA 1.384 56.239 54.840 0.026 0.000 0.826 70 L CB -0.201 41.877 42.059 0.032 0.000 0.941 70 L HN 0.597 nan 8.230 nan 0.000 0.451 71 T N -6.592 107.947 114.554 -0.025 0.000 3.253 71 T HA 0.076 4.427 4.350 0.001 0.000 0.299 71 T C 0.508 175.119 174.700 -0.147 0.000 0.927 71 T CA -0.468 61.610 62.100 -0.037 0.000 0.926 71 T CB -0.305 68.564 68.868 0.002 0.000 1.183 71 T HN -0.079 nan 8.240 nan 0.000 0.557 72 N N 4.222 122.764 118.700 -0.263 0.000 2.406 72 N HA 0.148 4.888 4.740 0.001 0.000 0.274 72 N C -1.185 174.158 175.510 -0.279 0.000 1.249 72 N CA -1.746 50.976 53.050 -0.546 0.000 0.951 72 N CB 1.447 39.662 38.487 -0.454 0.000 1.241 72 N HN 0.193 nan 8.380 nan 0.000 0.485 73 P HA -0.189 nan 4.420 nan 0.000 0.218 73 P C 1.563 178.606 177.300 -0.428 0.000 1.148 73 P CA 0.573 63.589 63.100 -0.141 0.000 0.822 73 P CB 0.477 32.259 31.700 0.136 0.000 0.784 74 L N -0.760 120.064 121.223 -0.666 0.000 2.027 74 L HA -0.075 4.265 4.340 0.001 0.000 0.206 74 L C 2.531 179.163 176.870 -0.397 0.000 1.074 74 L CA 1.650 55.995 54.840 -0.825 0.000 0.745 74 L CB -1.821 39.851 42.059 -0.645 0.000 0.898 74 L HN -0.183 nan 8.230 nan 0.000 0.433 75 F N -0.077 119.622 119.950 -0.418 0.000 2.069 75 F HA -0.243 4.285 4.527 0.001 0.000 0.298 75 F C 2.119 177.693 175.800 -0.376 0.000 1.113 75 F CA 1.996 59.655 58.000 -0.570 0.000 1.214 75 F CB -0.539 38.113 39.000 -0.580 0.000 0.978 75 F HN 0.080 nan 8.300 nan 0.000 0.474 76 L N 0.259 121.267 121.223 -0.359 0.000 2.021 76 L HA -0.293 4.047 4.340 0.001 0.000 0.215 76 L C 2.559 179.244 176.870 -0.309 0.000 1.074 76 L CA 2.173 56.828 54.840 -0.309 0.000 0.760 76 L CB -1.172 40.825 42.059 -0.103 0.000 0.889 76 L HN 0.307 nan 8.230 nan 0.000 0.433 77 E N 0.170 120.220 120.200 -0.249 0.000 2.058 77 E HA -0.255 4.096 4.350 0.001 0.000 0.194 77 E C 2.136 178.625 176.600 -0.185 0.000 0.997 77 E CA 1.335 57.641 56.400 -0.158 0.000 0.801 77 E CB 0.063 29.697 29.700 -0.110 0.000 0.746 77 E HN 0.390 nan 8.360 nan 0.000 0.450 78 E N 0.037 120.072 120.200 -0.276 0.000 2.085 78 E HA -0.194 4.157 4.350 0.001 0.000 0.194 78 E C 1.959 178.455 176.600 -0.174 0.000 0.994 78 E CA 1.137 57.411 56.400 -0.209 0.000 0.801 78 E CB -0.246 29.311 29.700 -0.238 0.000 0.743 78 E HN 0.400 nan 8.360 nan 0.000 0.453 79 A N 0.817 123.431 122.820 -0.344 0.000 2.066 79 A HA -0.183 4.138 4.320 0.001 0.000 0.218 79 A C 2.078 179.605 177.584 -0.096 0.000 1.157 79 A CA 1.449 53.394 52.037 -0.152 0.000 0.670 79 A CB -0.255 18.491 19.000 -0.424 0.000 0.804 79 A HN 0.109 nan 8.150 nan 0.000 0.453 80 Q N 0.027 119.753 119.800 -0.123 0.000 2.083 80 Q HA 0.004 4.344 4.340 0.001 0.000 0.198 80 Q C 1.808 177.776 176.000 -0.054 0.000 0.969 80 Q CA 1.388 57.150 55.803 -0.068 0.000 0.838 80 Q CB -0.437 28.266 28.738 -0.058 0.000 0.900 80 Q HN 0.651 nan 8.270 nan 0.000 0.436 81 L N -0.407 120.778 121.223 -0.064 0.000 1.994 81 L HA -0.160 4.181 4.340 0.001 0.000 0.208 81 L C 2.266 179.096 176.870 -0.067 0.000 1.071 81 L CA 1.465 56.271 54.840 -0.056 0.000 0.745 81 L CB -0.609 41.416 42.059 -0.056 0.000 0.892 81 L HN 0.129 nan 8.230 nan 0.000 0.431 82 S N 0.018 115.661 115.700 -0.095 0.000 2.500 82 S HA -0.132 4.339 4.470 0.001 0.000 0.239 82 S C 1.716 176.272 174.600 -0.073 0.000 0.989 82 S CA 0.809 58.937 58.200 -0.122 0.000 0.951 82 S CB -0.223 62.843 63.200 -0.224 0.000 0.759 82 S HN 0.215 nan 8.310 nan 0.000 0.523 83 L N 1.548 122.744 121.223 -0.045 0.000 2.341 83 L HA 0.128 4.468 4.340 0.001 0.000 0.214 83 L C 1.367 178.222 176.870 -0.026 0.000 1.115 83 L CA 1.179 56.004 54.840 -0.024 0.000 0.820 83 L CB -0.341 41.710 42.059 -0.013 0.000 0.944 83 L HN 0.160 nan 8.230 nan 0.000 0.452 84 N N -0.604 118.077 118.700 -0.032 0.000 2.426 84 N HA -0.086 4.654 4.740 0.001 0.000 0.205 84 N C 1.385 176.875 175.510 -0.032 0.000 1.040 84 N CA 1.115 54.149 53.050 -0.027 0.000 0.990 84 N CB -0.974 37.499 38.487 -0.024 0.000 1.215 84 N HN 0.339 nan 8.380 nan 0.000 0.491 85 D N 0.974 121.350 120.400 -0.039 0.000 2.228 85 D HA -0.122 4.519 4.640 0.001 0.000 0.203 85 D C 1.153 177.425 176.300 -0.048 0.000 0.988 85 D CA 1.662 55.636 54.000 -0.042 0.000 0.864 85 D CB -0.433 40.338 40.800 -0.048 0.000 0.928 85 D HN 0.450 nan 8.370 nan 0.000 0.469 86 G N 0.686 109.453 108.800 -0.056 0.000 2.162 86 G HA2 -0.333 3.627 3.960 0.001 0.000 0.260 86 G HA3 -0.333 3.627 3.960 0.001 0.000 0.260 86 G C 0.357 175.211 174.900 -0.077 0.000 0.976 86 G CA 0.339 45.404 45.100 -0.058 0.000 0.655 86 G HN 0.516 nan 8.290 nan 0.000 0.533 87 R N 0.015 120.458 120.500 -0.095 0.000 2.528 87 R HA 0.508 4.849 4.340 0.001 0.000 0.271 87 R C -0.062 176.133 176.300 -0.176 0.000 1.056 87 R CA -0.114 55.920 56.100 -0.111 0.000 1.117 87 R CB 0.599 30.841 30.300 -0.096 0.000 1.085 87 R HN 0.137 nan 8.270 nan 0.000 0.530 88 T N 2.572 117.022 114.554 -0.174 0.000 2.749 88 T HA 0.231 4.581 4.350 0.001 0.000 0.295 88 T C 0.949 175.491 174.700 -0.264 0.000 0.936 88 T CA -0.199 61.751 62.100 -0.250 0.000 1.060 88 T CB 0.857 69.632 68.868 -0.154 0.000 0.904 88 T HN 0.463 nan 8.240 nan 0.000 0.500 89 R N 1.527 121.762 120.500 -0.442 0.000 2.369 89 R HA 0.277 4.617 4.340 0.001 0.000 0.210 89 R C -0.189 176.034 176.300 -0.127 0.000 0.881 89 R CA 0.227 56.163 56.100 -0.273 0.000 1.031 89 R CB 0.578 30.742 30.300 -0.227 0.000 1.184 89 R HN 0.643 nan 8.270 nan 0.000 0.581 90 F N -2.686 117.269 119.950 0.008 0.000 2.754 90 F HA 0.698 5.226 4.527 0.001 0.000 0.320 90 F C -1.225 174.630 175.800 0.090 0.000 1.156 90 F CA -1.859 56.163 58.000 0.036 0.000 0.950 90 F CB 1.221 40.264 39.000 0.073 0.000 1.388 90 F HN -0.338 nan 8.300 nan 0.000 0.485 91 V N 1.654 121.869 119.914 0.501 0.000 2.653 91 V HA 0.469 4.590 4.120 0.001 0.000 0.298 91 V C -1.665 174.625 176.094 0.327 0.000 1.097 91 V CA -0.768 61.782 62.300 0.417 0.000 0.908 91 V CB 1.284 33.273 31.823 0.276 0.000 1.024 91 V HN 0.681 nan 8.190 nan 0.000 0.435 92 F N 6.386 126.511 119.950 0.292 0.000 2.519 92 F HA 0.284 4.811 4.527 0.001 0.000 0.375 92 F C 1.342 177.244 175.800 0.170 0.000 1.084 92 F CA 0.225 58.339 58.000 0.190 0.000 1.147 92 F CB 0.673 39.746 39.000 0.122 0.000 1.088 92 F HN 0.736 nan 8.300 nan 0.000 0.555 93 D N 0.480 121.061 120.400 0.302 0.000 2.462 93 D HA 0.020 4.660 4.640 0.001 0.000 0.221 93 D C -0.154 176.249 176.300 0.172 0.000 1.173 93 D CA -0.235 53.887 54.000 0.203 0.000 0.831 93 D CB -0.357 40.522 40.800 0.131 0.000 1.001 93 D HN 0.217 nan 8.370 nan 0.000 0.499 94 D N 0.961 121.480 120.400 0.199 0.000 2.423 94 D HA 0.265 4.906 4.640 0.001 0.000 0.238 94 D C -0.116 176.247 176.300 0.105 0.000 1.142 94 D CA 0.777 54.870 54.000 0.156 0.000 0.884 94 D CB 1.167 42.070 40.800 0.170 0.000 1.199 94 D HN 0.164 nan 8.370 nan 0.000 0.438 95 D N -0.077 120.368 120.400 0.075 0.000 2.671 95 D HA 0.085 4.726 4.640 0.001 0.000 0.273 95 D C -1.135 175.204 176.300 0.065 0.000 1.264 95 D CA -0.591 53.429 54.000 0.033 0.000 0.788 95 D CB 1.228 42.006 40.800 -0.037 0.000 1.324 95 D HN 0.099 nan 8.370 nan 0.000 0.424 96 N N 1.075 119.806 118.700 0.051 0.000 2.475 96 N HA 0.135 4.875 4.740 0.001 0.000 0.267 96 N C -0.139 175.418 175.510 0.080 0.000 1.169 96 N CA 0.178 53.291 53.050 0.106 0.000 0.947 96 N CB 0.106 38.614 38.487 0.034 0.000 1.061 96 N HN 0.194 nan 8.380 nan 0.000 0.466 97 F N 1.618 121.514 119.950 -0.091 0.000 2.518 97 F HA 0.215 4.742 4.527 0.001 0.000 0.359 97 F C 1.203 176.803 175.800 -0.333 0.000 1.118 97 F CA -0.104 57.725 58.000 -0.284 0.000 1.287 97 F CB 0.441 39.077 39.000 -0.606 0.000 1.132 97 F HN 0.232 nan 8.300 nan 0.000 0.587 98 I N 4.245 124.685 120.570 -0.216 0.000 2.339 98 I HA 0.215 4.386 4.170 0.001 0.000 0.290 98 I C -1.067 174.952 176.117 -0.163 0.000 0.994 98 I CA -0.699 60.540 61.300 -0.102 0.000 1.191 98 I CB 0.882 38.853 38.000 -0.049 0.000 1.343 98 I HN 0.416 nan 8.210 nan 0.000 0.458 99 Y N 6.579 126.979 120.300 0.166 0.000 2.341 99 Y HA 0.581 5.132 4.550 0.001 0.000 0.337 99 Y C 0.071 176.042 175.900 0.118 0.000 1.014 99 Y CA -0.647 57.556 58.100 0.171 0.000 1.111 99 Y CB 1.518 40.071 38.460 0.156 0.000 1.194 99 Y HN 0.320 nan 8.280 nan 0.000 0.462 100 I N 2.950 123.689 120.570 0.282 0.000 2.436 100 I HA 0.249 4.419 4.170 0.001 0.000 0.289 100 I C -0.907 175.361 176.117 0.252 0.000 1.010 100 I CA -0.633 60.791 61.300 0.206 0.000 1.098 100 I CB 1.894 39.991 38.000 0.161 0.000 1.266 100 I HN 0.611 nan 8.210 nan 0.000 0.434 101 D N 3.617 124.101 120.400 0.141 0.000 2.326 101 D HA 0.148 4.789 4.640 0.001 0.000 0.251 101 D C 0.877 177.139 176.300 -0.065 0.000 1.023 101 D CA -0.338 53.721 54.000 0.098 0.000 0.966 101 D CB 1.793 42.632 40.800 0.065 0.000 1.156 101 D HN 0.600 nan 8.370 nan 0.000 0.494 102 E N 0.397 120.355 120.200 -0.403 0.000 2.046 102 E HA -0.162 4.188 4.350 0.001 0.000 0.190 102 E C 0.995 177.397 176.600 -0.330 0.000 0.982 102 E CA 0.925 56.888 56.400 -0.729 0.000 0.800 102 E CB 0.259 29.069 29.700 -1.483 0.000 0.756 102 E HN 0.448 nan 8.360 nan 0.000 0.449 103 E N 0.469 120.536 120.200 -0.221 0.000 2.011 103 E HA -0.139 4.212 4.350 0.001 0.000 0.191 103 E C 2.180 178.740 176.600 -0.066 0.000 0.980 103 E CA 0.712 57.043 56.400 -0.116 0.000 0.814 103 E CB -0.437 29.229 29.700 -0.058 0.000 0.775 103 E HN 0.087 nan 8.360 nan 0.000 0.454 104 R N 0.741 121.217 120.500 -0.040 0.000 2.341 104 R HA -0.066 4.274 4.340 0.001 0.000 0.213 104 R C 0.984 177.248 176.300 -0.061 0.000 1.082 104 R CA 0.881 56.947 56.100 -0.058 0.000 1.017 104 R CB -0.397 29.831 30.300 -0.121 0.000 0.860 104 R HN 0.340 nan 8.270 nan 0.000 0.473 105 G N 0.536 109.311 108.800 -0.041 0.000 2.547 105 G HA2 -0.376 3.585 3.960 0.001 0.000 0.271 105 G HA3 -0.376 3.585 3.960 0.001 0.000 0.271 105 G C -0.883 174.018 174.900 0.002 0.000 1.209 105 G CA 0.106 45.200 45.100 -0.010 0.000 0.959 105 G HN 0.422 nan 8.290 nan 0.000 0.563 106 R N 0.298 120.808 120.500 0.017 0.000 2.449 106 R HA 0.334 4.674 4.340 0.001 0.000 0.296 106 R C 1.276 177.588 176.300 0.021 0.000 1.047 106 R CA 0.594 56.722 56.100 0.046 0.000 1.018 106 R CB 0.726 31.059 30.300 0.055 0.000 0.962 106 R HN 1.133 nan 8.270 nan 0.000 0.428 107 V N -1.509 118.437 119.914 0.054 0.000 3.253 107 V HA 0.089 4.210 4.120 0.001 0.000 0.320 107 V C 0.157 176.307 176.094 0.092 0.000 1.442 107 V CA -0.456 61.838 62.300 -0.010 0.000 1.097 107 V CB -0.042 31.686 31.823 -0.159 0.000 1.008 107 V HN 0.679 nan 8.190 nan 0.000 0.463 108 D N 0.134 120.667 120.400 0.222 0.000 2.313 108 D HA 0.139 4.780 4.640 0.001 0.000 0.247 108 D C 0.467 176.928 176.300 0.268 0.000 1.094 108 D CA -0.261 53.937 54.000 0.330 0.000 0.925 108 D CB 0.645 41.712 40.800 0.445 0.000 1.188 108 D HN 0.413 nan 8.370 nan 0.000 0.430 109 H N -0.348 118.802 119.070 0.132 0.000 2.527 109 H HA -0.227 4.330 4.556 0.001 0.000 0.321 109 H C -1.122 174.241 175.328 0.059 0.000 1.092 109 H CA 0.979 57.080 56.048 0.088 0.000 1.118 109 H CB -1.018 28.797 29.762 0.089 0.000 1.536 109 H HN 0.441 nan 8.280 nan 0.000 0.407 110 D N 1.155 121.545 120.400 -0.017 0.000 2.280 110 D HA 0.101 4.741 4.640 0.001 0.000 0.236 110 D C 1.181 177.428 176.300 -0.089 0.000 1.082 110 D CA -0.157 53.815 54.000 -0.048 0.000 0.834 110 D CB 0.833 41.622 40.800 -0.017 0.000 1.100 110 D HN 0.714 nan 8.370 nan 0.000 0.486 111 K N 1.762 122.101 120.400 -0.102 0.000 2.520 111 K HA -0.162 4.158 4.320 0.001 0.000 0.197 111 K C 1.177 177.752 176.600 -0.042 0.000 1.043 111 K CA 1.451 57.686 56.287 -0.086 0.000 0.944 111 K CB 0.051 32.509 32.500 -0.070 0.000 0.770 111 K HN 0.378 nan 8.250 nan 0.000 0.480 112 E N 1.731 121.915 120.200 -0.027 0.000 2.306 112 E HA 0.169 4.520 4.350 0.001 0.000 0.201 112 E C 1.923 178.528 176.600 0.008 0.000 0.874 112 E CA 0.204 56.601 56.400 -0.005 0.000 0.972 112 E CB -0.427 29.274 29.700 0.000 0.000 0.957 112 E HN 0.249 nan 8.360 nan 0.000 0.492 113 L N -0.125 121.099 121.223 0.003 0.000 2.044 113 L HA 0.161 4.502 4.340 0.001 0.000 0.205 113 L C 1.174 178.059 176.870 0.025 0.000 1.075 113 L CA 0.874 55.727 54.840 0.022 0.000 0.747 113 L CB -0.387 41.669 42.059 -0.004 0.000 0.903 113 L HN 0.331 nan 8.230 nan 0.000 0.435 114 L N -0.403 120.822 121.223 0.005 0.000 3.737 114 L HA -0.282 4.059 4.340 0.001 0.000 0.418 114 L C 1.512 178.397 176.870 0.025 0.000 1.216 114 L CA -0.258 54.588 54.840 0.009 0.000 0.915 114 L CB -1.719 40.347 42.059 0.012 0.000 1.834 114 L HN 0.306 nan 8.230 nan 0.000 0.943 115 L N -0.703 120.529 121.223 0.016 0.000 2.043 115 L HA -0.254 4.087 4.340 0.001 0.000 0.212 115 L C 2.350 179.212 176.870 -0.013 0.000 1.075 115 L CA 2.071 56.911 54.840 0.000 0.000 0.752 115 L CB -0.258 41.769 42.059 -0.053 0.000 0.891 115 L HN 0.409 nan 8.230 nan 0.000 0.432 116 E N 0.282 120.480 120.200 -0.005 0.000 2.160 116 E HA -0.179 4.171 4.350 0.001 0.000 0.195 116 E C 2.148 178.766 176.600 0.031 0.000 0.991 116 E CA 1.101 57.510 56.400 0.016 0.000 0.810 116 E CB -0.200 29.547 29.700 0.078 0.000 0.742 116 E HN 0.471 nan 8.360 nan 0.000 0.466 117 I N 0.296 120.888 120.570 0.036 0.000 2.202 117 I HA -0.208 3.963 4.170 0.001 0.000 0.242 117 I C 2.208 178.347 176.117 0.037 0.000 1.091 117 I CA 1.020 62.342 61.300 0.037 0.000 1.368 117 I CB -0.437 37.585 38.000 0.036 0.000 1.058 117 I HN 0.093 nan 8.210 nan 0.000 0.410 118 V N -1.296 118.648 119.914 0.050 0.000 2.515 118 V HA -0.231 3.889 4.120 0.001 0.000 0.250 118 V C 2.061 178.158 176.094 0.005 0.000 1.058 118 V CA 2.074 64.417 62.300 0.072 0.000 1.064 118 V CB -0.909 30.992 31.823 0.131 0.000 0.675 118 V HN 0.347 nan 8.190 nan 0.000 0.461 119 D N 2.149 122.552 120.400 0.006 0.000 2.117 119 D HA -0.169 4.472 4.640 0.001 0.000 0.197 119 D C 2.196 178.488 176.300 -0.014 0.000 0.987 119 D CA 2.161 56.162 54.000 0.001 0.000 0.829 119 D CB -0.504 40.322 40.800 0.044 0.000 0.961 119 D HN 0.576 nan 8.370 nan 0.000 0.460 120 N N 0.365 119.064 118.700 -0.001 0.000 2.104 120 N HA -0.213 4.527 4.740 0.001 0.000 0.190 120 N C 1.878 177.359 175.510 -0.049 0.000 1.024 120 N CA 1.675 54.716 53.050 -0.014 0.000 0.853 120 N CB -0.884 37.606 38.487 0.004 0.000 1.008 120 N HN 0.540 nan 8.380 nan 0.000 0.424 121 E N -1.050 119.129 120.200 -0.036 0.000 2.150 121 E HA -0.111 4.240 4.350 0.001 0.000 0.193 121 E C 2.069 178.610 176.600 -0.100 0.000 0.985 121 E CA 0.755 57.144 56.400 -0.018 0.000 0.814 121 E CB -0.125 29.616 29.700 0.068 0.000 0.752 121 E HN 0.547 nan 8.360 nan 0.000 0.466 122 M N 0.775 120.192 119.600 -0.304 0.000 2.099 122 M HA -0.144 4.336 4.480 0.001 0.000 0.262 122 M C 2.547 178.706 176.300 -0.235 0.000 1.067 122 M CA 1.837 56.829 55.300 -0.514 0.000 1.124 122 M CB -0.454 31.767 32.600 -0.632 0.000 1.353 122 M HN 0.185 nan 8.290 nan 0.000 0.410 123 S N -0.008 115.499 115.700 -0.321 0.000 2.382 123 S HA -0.182 4.288 4.470 0.001 0.000 0.228 123 S C 1.814 176.135 174.600 -0.466 0.000 1.027 123 S CA 1.497 59.231 58.200 -0.777 0.000 0.991 123 S CB -0.476 62.316 63.200 -0.679 0.000 0.823 123 S HN 0.327 nan 8.310 nan 0.000 0.469 124 K N 1.542 121.812 120.400 -0.217 0.000 2.057 124 K HA -0.034 4.287 4.320 0.001 0.000 0.207 124 K C 1.714 178.269 176.600 -0.076 0.000 1.049 124 K CA 1.410 57.625 56.287 -0.121 0.000 0.931 124 K CB -1.024 31.447 32.500 -0.048 0.000 0.714 124 K HN 0.417 nan 8.250 nan 0.000 0.440 125 F N 0.673 120.530 119.950 -0.155 0.000 2.134 125 F HA -0.095 4.433 4.527 0.001 0.000 0.299 125 F C 1.854 177.578 175.800 -0.127 0.000 1.097 125 F CA 1.765 59.713 58.000 -0.087 0.000 1.264 125 F CB -0.668 38.340 39.000 0.013 0.000 1.001 125 F HN 0.088 nan 8.300 nan 0.000 0.479 126 A N 0.007 122.734 122.820 -0.156 0.000 1.930 126 A HA -0.215 4.105 4.320 0.001 0.000 0.217 126 A C 2.281 179.773 177.584 -0.153 0.000 1.175 126 A CA 1.669 53.615 52.037 -0.152 0.000 0.627 126 A CB -1.028 17.956 19.000 -0.027 0.000 0.815 126 A HN 0.614 nan 8.150 nan 0.000 0.443 127 E N 0.085 120.171 120.200 -0.189 0.000 2.051 127 E HA -0.163 4.188 4.350 0.001 0.000 0.192 127 E C 1.860 178.369 176.600 -0.151 0.000 0.991 127 E CA 1.140 57.474 56.400 -0.109 0.000 0.799 127 E CB -0.240 29.389 29.700 -0.118 0.000 0.748 127 E HN 0.614 nan 8.360 nan 0.000 0.449 128 L N 0.608 121.689 121.223 -0.237 0.000 2.265 128 L HA -0.144 4.197 4.340 0.001 0.000 0.215 128 L C 2.500 179.055 176.870 -0.525 0.000 1.117 128 L CA 0.990 55.656 54.840 -0.289 0.000 0.782 128 L CB -0.250 41.661 42.059 -0.247 0.000 0.914 128 L HN 0.188 nan 8.230 nan 0.000 0.441 129 E N 0.116 119.921 120.200 -0.659 0.000 2.072 129 E HA -0.128 4.222 4.350 0.001 0.000 0.190 129 E C 1.750 177.812 176.600 -0.898 0.000 0.982 129 E CA 1.574 57.415 56.400 -0.932 0.000 0.803 129 E CB 0.038 29.000 29.700 -1.230 0.000 0.755 129 E HN 0.425 nan 8.360 nan 0.000 0.453 130 F N -1.741 118.081 119.950 -0.212 0.000 2.553 130 F HA 0.250 4.778 4.527 0.001 0.000 0.282 130 F C 1.361 177.160 175.800 -0.001 0.000 1.089 130 F CA 0.457 58.407 58.000 -0.084 0.000 1.411 130 F CB -0.707 38.272 39.000 -0.035 0.000 1.125 130 F HN 0.032 nan 8.300 nan 0.000 0.610 131 H N 0.640 119.806 119.070 0.160 0.000 3.107 131 H HA 0.465 5.021 4.556 0.001 0.000 0.301 131 H C 1.175 176.648 175.328 0.242 0.000 0.981 131 H CA 0.681 56.819 56.048 0.149 0.000 1.443 131 H CB -0.431 29.380 29.762 0.081 0.000 1.479 131 H HN 0.494 nan 8.280 nan 0.000 0.564 132 Q N 0.333 120.239 119.800 0.177 0.000 2.559 132 Q HA -0.196 4.144 4.340 0.001 0.000 0.151 132 Q C 0.344 176.365 176.000 0.036 0.000 0.725 132 Q CA 2.081 57.947 55.803 0.105 0.000 1.230 132 Q CB -2.526 nan 28.738 nan 0.000 1.099 132 Q HN 1.308 nan 8.270 nan 0.000 1.047 133 H N 0.217 119.293 119.070 0.011 0.000 2.761 133 H HA 0.704 5.261 4.556 0.001 0.000 0.284 133 H C 0.416 175.765 175.328 0.034 0.000 1.105 133 H CA -0.586 55.465 56.048 0.005 0.000 1.352 133 H CB 0.768 30.511 29.762 -0.031 0.000 1.423 133 H HN 0.636 nan 8.280 nan 0.000 0.464 134 L N 1.967 123.243 121.223 0.088 0.000 2.395 134 L HA 0.299 4.639 4.340 0.001 0.000 0.269 134 L C 1.365 178.281 176.870 0.077 0.000 1.133 134 L CA 0.392 55.278 54.840 0.076 0.000 0.812 134 L CB 1.044 43.125 42.059 0.037 0.000 1.125 134 L HN 1.008 nan 8.230 nan 0.000 0.452 135 G N 1.974 110.821 108.800 0.079 0.000 2.241 135 G HA2 -0.258 3.703 3.960 0.001 0.000 0.244 135 G HA3 -0.258 3.703 3.960 0.001 0.000 0.244 135 G C 0.205 175.157 174.900 0.087 0.000 0.998 135 G CA -0.040 45.102 45.100 0.070 0.000 0.621 135 G HN 0.388 nan 8.290 nan 0.000 0.519 136 V N 2.010 121.993 119.914 0.116 0.000 2.617 136 V HA 0.394 4.514 4.120 0.001 0.000 0.304 136 V C 1.433 177.627 176.094 0.168 0.000 1.040 136 V CA 0.967 63.343 62.300 0.127 0.000 1.149 136 V CB 1.249 33.151 31.823 0.131 0.000 0.914 136 V HN 0.600 nan 8.190 nan 0.000 0.487 137 S N 2.303 118.086 115.700 0.139 0.000 2.596 137 S HA 0.042 4.512 4.470 0.001 0.000 0.260 137 S C 0.972 175.698 174.600 0.210 0.000 1.336 137 S CA -0.053 58.230 58.200 0.138 0.000 0.993 137 S CB 1.019 64.278 63.200 0.099 0.000 0.923 137 S HN 0.943 nan 8.310 nan 0.000 0.567 138 D N 0.323 120.811 120.400 0.147 0.000 2.214 138 D HA 0.040 4.680 4.640 0.001 0.000 0.217 138 D C 0.986 177.383 176.300 0.161 0.000 0.973 138 D CA 1.424 55.500 54.000 0.126 0.000 0.880 138 D CB -0.585 40.241 40.800 0.044 0.000 1.031 138 D HN 1.007 nan 8.370 nan 0.000 0.468 139 C N -0.080 119.296 119.300 0.127 0.000 0.168 139 C HA -0.056 4.405 4.460 0.001 0.000 0.017 139 C C 0.512 175.580 174.990 0.130 0.000 0.171 139 C CA -0.801 58.293 59.018 0.126 0.000 0.499 139 C CB -2.205 25.622 27.740 0.146 0.000 3.212 139 C HN 0.568 nan 8.230 nan 0.000 1.118 140 S N 2.262 118.036 115.700 0.123 0.000 2.652 140 S HA 0.533 5.003 4.470 0.001 0.000 0.270 140 S C 0.567 175.302 174.600 0.225 0.000 1.243 140 S CA 0.141 58.429 58.200 0.147 0.000 0.999 140 S CB 0.912 64.182 63.200 0.115 0.000 0.973 140 S HN 1.915 nan 8.310 nan 0.000 0.544 141 F N 1.218 121.216 119.950 0.080 0.000 2.095 141 F HA -0.137 4.391 4.527 0.001 0.000 0.298 141 F C 1.907 177.768 175.800 0.102 0.000 1.104 141 F CA 1.657 59.727 58.000 0.118 0.000 1.232 141 F CB -0.262 38.817 39.000 0.132 0.000 0.987 141 F HN 0.743 nan 8.300 nan 0.000 0.475 142 F N 2.103 121.878 119.950 -0.291 0.000 2.091 142 F HA -0.287 4.241 4.527 0.001 0.000 0.299 142 F C 2.646 178.171 175.800 -0.457 0.000 1.103 142 F CA 2.790 60.270 58.000 -0.866 0.000 1.228 142 F CB -1.369 36.898 39.000 -1.223 0.000 0.984 142 F HN 0.139 nan 8.300 nan 0.000 0.477 143 Q N 0.604 120.185 119.800 -0.365 0.000 2.170 143 Q HA -0.133 4.207 4.340 0.001 0.000 0.203 143 Q C 2.138 178.032 176.000 -0.176 0.000 0.976 143 Q CA 1.789 57.388 55.803 -0.340 0.000 0.858 143 Q CB -1.424 27.281 28.738 -0.056 0.000 0.907 143 Q HN 0.628 nan 8.270 nan 0.000 0.433 144 L N -0.088 121.142 121.223 0.012 0.000 2.093 144 L HA -0.056 4.285 4.340 0.001 0.000 0.208 144 L C 2.497 179.465 176.870 0.162 0.000 1.085 144 L CA 1.532 56.498 54.840 0.210 0.000 0.755 144 L CB -0.175 42.146 42.059 0.436 0.000 0.904 144 L HN 0.295 nan 8.230 nan 0.000 0.435 145 V N -0.768 119.127 119.914 -0.032 0.000 2.358 145 V HA -0.260 3.861 4.120 0.001 0.000 0.246 145 V C 2.550 178.609 176.094 -0.059 0.000 1.047 145 V CA 1.549 63.835 62.300 -0.024 0.000 1.035 145 V CB -0.551 31.215 31.823 -0.096 0.000 0.658 145 V HN 0.374 nan 8.190 nan 0.000 0.452 146 M N -0.074 119.351 119.600 -0.293 0.000 2.117 146 M HA -0.171 4.309 4.480 0.001 0.000 0.262 146 M C 2.175 178.385 176.300 -0.150 0.000 1.065 146 M CA 1.713 56.854 55.300 -0.264 0.000 1.114 146 M CB -1.187 31.111 32.600 -0.503 0.000 1.361 146 M HN 0.323 nan 8.290 nan 0.000 0.408 147 K N -0.521 119.823 120.400 -0.094 0.000 2.057 147 K HA -0.222 4.098 4.320 0.001 0.000 0.207 147 K C 2.157 178.691 176.600 -0.109 0.000 1.049 147 K CA 1.347 57.619 56.287 -0.025 0.000 0.931 147 K CB -0.290 32.279 32.500 0.115 0.000 0.714 147 K HN 0.248 nan 8.250 nan 0.000 0.440 148 Y N 1.513 121.617 120.300 -0.328 0.000 2.114 148 Y HA -0.199 4.352 4.550 0.001 0.000 0.284 148 Y C 1.682 177.341 175.900 -0.402 0.000 1.143 148 Y CA 1.631 59.276 58.100 -0.758 0.000 1.135 148 Y CB -0.365 37.664 38.460 -0.717 0.000 0.980 148 Y HN -0.011 nan 8.280 nan 0.000 0.499 149 L N -0.634 120.391 121.223 -0.330 0.000 2.127 149 L HA -0.241 4.099 4.340 0.001 0.000 0.211 149 L C 2.345 179.006 176.870 -0.348 0.000 1.089 149 L CA 0.837 55.474 54.840 -0.337 0.000 0.757 149 L CB -0.679 41.347 42.059 -0.054 0.000 0.899 149 L HN 0.302 nan 8.230 nan 0.000 0.434 150 L N -0.354 120.703 121.223 -0.277 0.000 2.027 150 L HA -0.208 4.133 4.340 0.001 0.000 0.206 150 L C 2.613 179.339 176.870 -0.241 0.000 1.074 150 L CA 1.718 56.422 54.840 -0.226 0.000 0.745 150 L CB -0.744 41.219 42.059 -0.160 0.000 0.898 150 L HN 0.301 nan 8.230 nan 0.000 0.433 151 Q N -0.989 118.653 119.800 -0.264 0.000 2.297 151 Q HA -0.114 4.227 4.340 0.001 0.000 0.204 151 Q C 1.029 176.891 176.000 -0.230 0.000 0.962 151 Q CA 0.807 56.490 55.803 -0.199 0.000 0.879 151 Q CB 0.268 28.938 28.738 -0.112 0.000 0.947 151 Q HN 0.295 nan 8.270 nan 0.000 0.462 152 R N 0.185 120.441 120.500 -0.406 0.000 2.509 152 R HA 0.102 4.443 4.340 0.001 0.000 0.300 152 R C 1.653 177.755 176.300 -0.330 0.000 0.985 152 R CA 0.034 55.955 56.100 -0.299 0.000 1.092 152 R CB 0.086 30.094 30.300 -0.488 0.000 1.237 152 R HN 0.345 nan 8.270 nan 0.000 0.546 153 R N 0.904 121.189 120.500 -0.359 0.000 2.117 153 R HA -0.185 4.156 4.340 0.001 0.000 0.243 153 R C 1.567 177.652 176.300 -0.359 0.000 1.143 153 R CA 1.588 57.505 56.100 -0.305 0.000 0.968 153 R CB -0.428 29.712 30.300 -0.267 0.000 0.863 153 R HN 0.214 nan 8.270 nan 0.000 0.444 154 Q N 0.404 119.851 119.800 -0.588 0.000 2.364 154 Q HA -0.092 4.249 4.340 0.001 0.000 0.209 154 Q C 0.264 175.828 176.000 -0.726 0.000 0.977 154 Q CA 1.181 56.538 55.803 -0.743 0.000 0.885 154 Q CB 0.049 28.155 28.738 -1.053 0.000 0.941 154 Q HN 0.572 nan 8.270 nan 0.000 0.464 155 F N 0.299 120.196 119.950 -0.088 0.000 2.772 155 F HA 0.361 4.889 4.527 0.001 0.000 0.302 155 F C -0.471 175.299 175.800 -0.049 0.000 1.136 155 F CA -0.551 57.412 58.000 -0.061 0.000 1.322 155 F CB 0.619 39.584 39.000 -0.057 0.000 0.967 155 F HN -0.133 nan 8.300 nan 0.000 0.513 156 L N -0.083 121.152 121.223 0.020 0.000 2.409 156 L HA 0.544 4.885 4.340 0.001 0.000 0.262 156 L C 0.233 177.108 176.870 0.008 0.000 0.992 156 L CA -1.088 53.770 54.840 0.030 0.000 0.817 156 L CB 2.364 44.425 42.059 0.003 0.000 1.350 156 L HN 0.030 nan 8.230 nan 0.000 0.411 157 T N -3.134 111.441 114.554 0.035 0.000 2.816 157 T HA 0.212 4.562 4.350 0.001 0.000 0.282 157 T C 0.707 175.424 174.700 0.028 0.000 0.993 157 T CA -0.430 61.687 62.100 0.028 0.000 0.994 157 T CB 0.896 69.792 68.868 0.045 0.000 1.025 157 T HN 0.639 nan 8.240 nan 0.000 0.529 158 N N 0.232 118.945 118.700 0.022 0.000 2.166 158 N HA -0.127 4.614 4.740 0.001 0.000 0.186 158 N C 1.086 176.629 175.510 0.056 0.000 1.019 158 N CA 1.050 54.111 53.050 0.018 0.000 0.856 158 N CB -0.082 38.407 38.487 0.005 0.000 0.993 158 N HN 0.614 nan 8.380 nan 0.000 0.426 159 D N 0.816 121.277 120.400 0.102 0.000 2.219 159 D HA -0.094 4.546 4.640 0.001 0.000 0.205 159 D C 1.804 178.257 176.300 0.254 0.000 0.970 159 D CA 0.870 54.995 54.000 0.207 0.000 0.851 159 D CB -0.010 40.946 40.800 0.259 0.000 0.943 159 D HN 0.394 nan 8.370 nan 0.000 0.488 160 Q N -0.023 119.877 119.800 0.166 0.000 2.096 160 Q HA 0.030 4.370 4.340 0.001 0.000 0.197 160 Q C 2.388 178.483 176.000 0.159 0.000 0.964 160 Q CA 0.510 56.412 55.803 0.165 0.000 0.838 160 Q CB 0.190 29.002 28.738 0.124 0.000 0.906 160 Q HN 0.302 nan 8.270 nan 0.000 0.444 161 I N 0.625 121.269 120.570 0.124 0.000 2.454 161 I HA -0.282 3.888 4.170 0.001 0.000 0.254 161 I C 2.595 178.861 176.117 0.249 0.000 1.156 161 I CA 1.041 62.434 61.300 0.154 0.000 1.433 161 I CB -0.133 37.900 38.000 0.056 0.000 1.082 161 I HN 0.158 nan 8.210 nan 0.000 0.432 162 R N 0.117 120.682 120.500 0.108 0.000 2.066 162 R HA -0.116 4.224 4.340 0.001 0.000 0.224 162 R C 2.094 178.240 176.300 -0.255 0.000 1.122 162 R CA 1.363 57.421 56.100 -0.069 0.000 0.974 162 R CB -0.176 29.923 30.300 -0.335 0.000 0.871 162 R HN 0.238 nan 8.270 nan 0.000 0.435 163 Y N -0.125 120.218 120.300 0.070 0.000 2.476 163 Y HA -0.000 4.550 4.550 0.001 0.000 0.283 163 Y C 1.882 177.789 175.900 0.012 0.000 1.109 163 Y CA 0.093 58.209 58.100 0.028 0.000 1.246 163 Y CB 0.006 38.479 38.460 0.022 0.000 1.068 163 Y HN 0.083 nan 8.280 nan 0.000 0.552 164 L N 2.276 123.603 121.223 0.174 0.000 1.990 164 L HA -0.127 4.213 4.340 0.001 0.000 0.213 164 L C -0.653 176.267 176.870 0.083 0.000 1.072 164 L CA 2.007 56.917 54.840 0.117 0.000 0.755 164 L CB -1.664 40.484 42.059 0.150 0.000 0.889 164 L HN -0.028 nan 8.230 nan 0.000 0.432 165 P HA -0.207 nan 4.420 nan 0.000 0.217 165 P C 1.110 178.356 177.300 -0.090 0.000 1.148 165 P CA 1.490 64.645 63.100 0.092 0.000 0.828 165 P CB -0.158 31.631 31.700 0.148 0.000 0.783 166 Q N -0.610 119.136 119.800 -0.090 0.000 2.187 166 Q HA 0.007 4.348 4.340 0.001 0.000 0.199 166 Q C 2.378 178.357 176.000 -0.034 0.000 0.957 166 Q CA 0.631 56.353 55.803 -0.135 0.000 0.857 166 Q CB -1.057 27.666 28.738 -0.025 0.000 0.929 166 Q HN 0.324 nan 8.270 nan 0.000 0.453 167 L N -0.140 121.093 121.223 0.017 0.000 2.109 167 L HA -0.115 4.225 4.340 0.001 0.000 0.207 167 L C 2.077 179.028 176.870 0.135 0.000 1.086 167 L CA 1.079 55.926 54.840 0.011 0.000 0.760 167 L CB -0.226 41.728 42.059 -0.174 0.000 0.910 167 L HN 0.117 nan 8.230 nan 0.000 0.437 168 C N 0.202 119.547 119.300 0.076 0.000 2.410 168 C HA -0.122 4.339 4.460 0.001 0.000 0.281 168 C C 2.568 177.560 174.990 0.004 0.000 1.318 168 C CA 0.669 59.745 59.018 0.097 0.000 1.776 168 C CB -1.396 26.418 27.740 0.124 0.000 1.942 168 C HN 0.475 nan 8.230 nan 0.000 0.508 169 R N 0.418 120.885 120.500 -0.054 0.000 2.357 169 R HA -0.095 4.245 4.340 0.001 0.000 0.202 169 R C 1.699 178.009 176.300 0.017 0.000 1.047 169 R CA 0.878 56.927 56.100 -0.085 0.000 1.034 169 R CB -0.466 29.590 30.300 -0.407 0.000 0.875 169 R HN 0.896 nan 8.270 nan 0.000 0.473 170 Y N -1.106 119.269 120.300 0.125 0.000 2.403 170 Y HA -0.079 4.471 4.550 0.001 0.000 0.291 170 Y C 1.542 177.546 175.900 0.175 0.000 1.143 170 Y CA 0.604 58.790 58.100 0.144 0.000 1.257 170 Y CB -0.583 37.958 38.460 0.134 0.000 0.984 170 Y HN -0.056 nan 8.280 nan 0.000 0.550 171 L N 0.743 121.668 121.223 -0.498 0.000 2.353 171 L HA -0.153 4.187 4.340 0.001 0.000 0.220 171 L C 2.187 179.142 176.870 0.141 0.000 1.133 171 L CA 1.276 55.969 54.840 -0.245 0.000 0.798 171 L CB -0.512 41.186 42.059 -0.601 0.000 0.922 171 L HN 0.374 nan 8.230 nan 0.000 0.445 172 E N -0.051 120.233 120.200 0.140 0.000 2.153 172 E HA -0.174 4.177 4.350 0.001 0.000 0.194 172 E C 1.478 178.217 176.600 0.232 0.000 0.988 172 E CA 0.702 57.219 56.400 0.197 0.000 0.811 172 E CB 0.041 29.829 29.700 0.146 0.000 0.746 172 E HN 0.332 nan 8.360 nan 0.000 0.466 173 L N -0.813 120.541 121.223 0.218 0.000 2.645 173 L HA -0.011 4.329 4.340 0.001 0.000 0.235 173 L C 0.860 177.778 176.870 0.079 0.000 1.150 173 L CA 0.852 55.791 54.840 0.165 0.000 0.911 173 L CB -1.099 41.046 42.059 0.144 0.000 1.077 173 L HN 0.272 nan 8.230 nan 0.000 0.438 174 W N -1.665 119.715 121.300 0.134 0.000 2.915 174 W HA 0.136 4.796 4.660 0.001 0.000 0.276 174 W C 2.394 178.976 176.519 0.105 0.000 1.215 174 W CA 0.133 57.532 57.345 0.091 0.000 1.514 174 W CB 0.321 29.770 29.460 -0.019 0.000 1.017 174 W HN 0.221 nan 8.180 nan 0.000 0.598 175 H N -1.963 117.328 119.070 0.369 0.000 2.855 175 H HA 0.263 4.819 4.556 0.001 0.000 0.259 175 H C 1.800 177.168 175.328 0.067 0.000 0.972 175 H CA 0.957 57.178 56.048 0.288 0.000 1.213 175 H CB 0.830 30.716 29.762 0.208 0.000 1.451 175 H HN 0.066 nan 8.280 nan 0.000 0.484 176 G N 1.425 110.332 108.800 0.179 0.000 2.137 176 G HA2 -0.219 3.741 3.960 0.001 0.000 0.237 176 G HA3 -0.219 3.741 3.960 0.001 0.000 0.237 176 G C -0.535 174.420 174.900 0.091 0.000 1.002 176 G CA -0.006 45.118 45.100 0.041 0.000 0.702 176 G HN 0.082 nan 8.290 nan 0.000 0.515 177 L N 0.849 122.169 121.223 0.162 0.000 2.408 177 L HA 0.527 4.867 4.340 0.001 0.000 0.268 177 L C 0.078 177.049 176.870 0.169 0.000 0.986 177 L CA -1.473 53.461 54.840 0.158 0.000 0.820 177 L CB 1.807 43.976 42.059 0.182 0.000 1.303 177 L HN 0.299 nan 8.230 nan 0.000 0.411 178 D N 2.086 122.579 120.400 0.155 0.000 2.424 178 D HA -0.089 4.551 4.640 0.001 0.000 0.244 178 D C 0.783 177.292 176.300 0.349 0.000 1.134 178 D CA -0.293 53.834 54.000 0.211 0.000 0.881 178 D CB 0.994 41.894 40.800 0.167 0.000 1.191 178 D HN 0.617 nan 8.370 nan 0.000 0.445 179 W N 4.827 126.199 121.300 0.120 0.000 2.436 179 W HA -0.108 4.552 4.660 0.001 0.000 0.261 179 W C 0.825 177.436 176.519 0.153 0.000 1.222 179 W CA 0.227 57.697 57.345 0.208 0.000 1.191 179 W CB -0.928 28.617 29.460 0.142 0.000 1.132 179 W HN 0.417 nan 8.180 nan 0.000 0.596 180 K N 0.110 120.622 120.400 0.187 0.000 2.361 180 K HA 0.188 4.509 4.320 0.001 0.000 0.194 180 K C 1.885 178.463 176.600 -0.037 0.000 1.032 180 K CA 0.315 56.568 56.287 -0.057 0.000 1.048 180 K CB 0.066 32.441 32.500 -0.208 0.000 0.842 180 K HN 0.163 nan 8.250 nan 0.000 0.526 181 L N 0.646 121.863 121.223 -0.010 0.000 2.616 181 L HA 0.203 4.543 4.340 0.001 0.000 0.229 181 L C -0.021 176.829 176.870 -0.033 0.000 1.110 181 L CA -0.321 54.424 54.840 -0.157 0.000 0.884 181 L CB 0.304 42.234 42.059 -0.215 0.000 1.115 181 L HN 0.086 nan 8.230 nan 0.000 0.481 182 L N 0.091 121.372 121.223 0.096 0.000 2.312 182 L HA 0.304 4.645 4.340 0.001 0.000 0.281 182 L C 0.529 177.455 176.870 0.092 0.000 1.070 182 L CA 0.007 54.909 54.840 0.103 0.000 0.805 182 L CB 1.598 43.696 42.059 0.064 0.000 1.174 182 L HN -0.124 nan 8.230 nan 0.000 0.434 183 S N 3.921 119.654 115.700 0.055 0.000 2.488 183 S HA 0.372 4.842 4.470 0.001 0.000 0.278 183 S C 1.386 175.957 174.600 -0.048 0.000 1.259 183 S CA -0.021 58.194 58.200 0.026 0.000 1.061 183 S CB 0.699 63.914 63.200 0.024 0.000 0.910 183 S HN 0.956 nan 8.310 nan 0.000 0.491 184 A N 6.188 129.015 122.820 0.012 0.000 1.883 184 A HA -0.114 4.206 4.320 0.001 0.000 0.217 184 A C 2.157 179.596 177.584 -0.242 0.000 1.186 184 A CA 1.717 53.776 52.037 0.037 0.000 0.624 184 A CB -0.626 18.527 19.000 0.255 0.000 0.822 184 A HN 0.929 nan 8.150 nan 0.000 0.444 185 K N -1.113 118.962 120.400 -0.542 0.000 2.152 185 K HA -0.200 4.120 4.320 0.001 0.000 0.206 185 K C 1.355 177.767 176.600 -0.313 0.000 1.048 185 K CA 1.683 57.508 56.287 -0.769 0.000 0.933 185 K CB -0.149 31.983 32.500 -0.614 0.000 0.721 185 K HN 0.533 nan 8.250 nan 0.000 0.447 186 D N -0.869 119.426 120.400 -0.174 0.000 2.360 186 D HA 0.006 4.647 4.640 0.001 0.000 0.210 186 D C 1.171 177.471 176.300 -0.000 0.000 1.047 186 D CA 0.482 54.463 54.000 -0.032 0.000 0.854 186 D CB 0.396 41.211 40.800 0.026 0.000 0.936 186 D HN -0.028 nan 8.370 nan 0.000 0.514 187 T N -0.397 114.013 114.554 -0.239 0.000 2.635 187 T HA -0.172 4.179 4.350 0.001 0.000 0.267 187 T C 0.186 174.589 174.700 -0.494 0.000 1.040 187 T CA 1.234 63.005 62.100 -0.549 0.000 1.156 187 T CB -0.304 67.964 68.868 -0.999 0.000 0.863 187 T HN 0.154 nan 8.240 nan 0.000 0.430 188 Y N 1.741 121.898 120.300 -0.239 0.000 2.320 188 Y HA 0.488 5.038 4.550 0.001 0.000 0.334 188 Y C -0.272 175.503 175.900 -0.208 0.000 1.055 188 Y CA -1.765 56.136 58.100 -0.332 0.000 1.143 188 Y CB 0.486 38.806 38.460 -0.234 0.000 1.193 188 Y HN 0.172 nan 8.280 nan 0.000 0.477 189 F N -0.694 119.144 119.950 -0.187 0.000 2.626 189 F HA 0.846 5.373 4.527 0.001 0.000 0.311 189 F C 0.028 175.589 175.800 -0.399 0.000 1.088 189 F CA -2.185 55.679 58.000 -0.226 0.000 0.949 189 F CB 0.534 39.414 39.000 -0.201 0.000 1.322 189 F HN 0.567 nan 8.300 nan 0.000 0.461 190 G N -0.026 108.799 108.800 0.042 0.000 2.491 190 G HA2 0.361 4.321 3.960 0.001 0.000 0.242 190 G HA3 0.361 4.321 3.960 0.001 0.000 0.242 190 G C -1.501 173.379 174.900 -0.034 0.000 1.266 190 G CA -0.402 44.666 45.100 -0.053 0.000 0.844 190 G HN 0.882 nan 8.290 nan 0.000 0.571 191 H N 1.131 120.230 119.070 0.048 0.000 2.762 191 H HA 0.179 4.736 4.556 0.001 0.000 0.310 191 H C -0.112 175.249 175.328 0.055 0.000 1.004 191 H CA -0.768 55.308 56.048 0.048 0.000 1.267 191 H CB 1.413 31.135 29.762 -0.066 0.000 1.437 191 H HN 0.316 nan 8.280 nan 0.000 0.498 192 Q N 3.179 123.096 119.800 0.194 0.000 3.107 192 Q HA 0.192 4.532 4.340 0.001 0.000 0.268 192 Q C 0.794 176.850 176.000 0.093 0.000 1.382 192 Q CA 0.181 56.054 55.803 0.117 0.000 0.927 192 Q CB -0.127 28.667 28.738 0.094 0.000 1.755 192 Q HN 1.027 nan 8.270 nan 0.000 0.545 193 G N 0.838 109.697 108.800 0.097 0.000 2.631 193 G HA2 -0.208 3.753 3.960 0.001 0.000 0.504 193 G HA3 -0.208 3.753 3.960 0.001 0.000 0.504 193 G C -0.708 174.242 174.900 0.084 0.000 1.306 193 G CA -1.043 44.102 45.100 0.074 0.000 0.897 193 G HN 0.472 nan 8.290 nan 0.000 0.520 194 R N 0.195 120.756 120.500 0.100 0.000 2.774 194 R HA 0.264 4.605 4.340 0.001 0.000 0.269 194 R C 0.480 176.834 176.300 0.091 0.000 1.068 194 R CA -0.199 55.989 56.100 0.146 0.000 1.180 194 R CB 0.176 30.641 30.300 0.275 0.000 1.077 194 R HN 0.586 nan 8.270 nan 0.000 0.513 195 N N -0.244 118.505 118.700 0.082 0.000 2.492 195 N HA 0.380 5.120 4.740 0.001 0.000 0.289 195 N C -1.164 174.257 175.510 -0.148 0.000 1.133 195 N CA -0.368 52.682 53.050 -0.001 0.000 0.961 195 N CB 2.005 40.498 38.487 0.010 0.000 1.186 195 N HN 0.552 nan 8.380 nan 0.000 0.493 196 A N 1.528 124.181 122.820 -0.278 0.000 2.340 196 A HA 0.342 4.663 4.320 0.001 0.000 0.297 196 A C -0.928 176.710 177.584 0.089 0.000 1.195 196 A CA -0.668 51.092 52.037 -0.461 0.000 0.769 196 A CB 0.079 18.335 19.000 -1.240 0.000 1.163 196 A HN 0.592 nan 8.150 nan 0.000 0.472 197 F N 3.504 123.513 119.950 0.100 0.000 2.533 197 F HA 0.410 4.938 4.527 0.001 0.000 0.378 197 F C 0.871 176.610 175.800 -0.101 0.000 1.070 197 F CA 0.044 57.989 58.000 -0.093 0.000 1.172 197 F CB 0.439 39.383 39.000 -0.094 0.000 1.085 197 F HN 0.722 nan 8.300 nan 0.000 0.552 198 A N 7.501 129.950 122.820 -0.618 0.000 2.450 198 A HA 0.342 4.663 4.320 0.001 0.000 0.255 198 A C -0.289 176.981 177.584 -0.524 0.000 1.096 198 A CA -0.539 51.183 52.037 -0.526 0.000 0.778 198 A CB -0.039 18.295 19.000 -1.111 0.000 1.031 198 A HN 0.853 nan 8.150 nan 0.000 0.494 199 L N 2.800 123.907 121.223 -0.194 0.000 2.389 199 L HA 0.394 4.735 4.340 0.001 0.000 0.265 199 L C 0.949 177.737 176.870 -0.137 0.000 1.167 199 L CA 0.786 55.557 54.840 -0.115 0.000 1.045 199 L CB -1.058 40.992 42.059 -0.015 0.000 1.351 199 L HN 1.084 nan 8.230 nan 0.000 0.419 200 N N 0.815 119.403 118.700 -0.187 0.000 2.923 200 N HA -0.232 4.508 4.740 0.001 0.000 0.266 200 N C -0.127 175.326 175.510 -0.094 0.000 1.595 200 N CA 0.451 53.438 53.050 -0.106 0.000 1.455 200 N CB -1.957 nan 38.487 nan 0.000 0.816 200 N HN 0.532 nan 8.380 nan 0.000 0.485 201 Y N 0.043 120.255 120.300 -0.146 0.000 2.519 201 Y HA -0.066 4.484 4.550 0.001 0.000 0.287 201 Y C 2.340 178.209 175.900 -0.051 0.000 1.128 201 Y CA 1.308 59.332 58.100 -0.127 0.000 1.282 201 Y CB 0.509 38.864 38.460 -0.174 0.000 1.027 201 Y HN 0.911 nan 8.280 nan 0.000 0.551 202 D N -1.051 119.426 120.400 0.128 0.000 2.221 202 D HA -0.224 4.416 4.640 0.001 0.000 0.204 202 D C 2.075 178.416 176.300 0.069 0.000 0.982 202 D CA 1.313 55.365 54.000 0.086 0.000 0.857 202 D CB -0.727 40.104 40.800 0.050 0.000 0.934 202 D HN 0.250 nan 8.370 nan 0.000 0.475 203 S N -0.241 115.488 115.700 0.048 0.000 2.423 203 S HA -0.081 4.389 4.470 0.001 0.000 0.231 203 S C 2.013 176.650 174.600 0.062 0.000 1.014 203 S CA 0.884 59.102 58.200 0.030 0.000 0.965 203 S CB -0.267 62.932 63.200 -0.002 0.000 0.785 203 S HN 0.196 nan 8.310 nan 0.000 0.495 204 V N 1.158 121.140 119.914 0.113 0.000 2.407 204 V HA -0.047 4.073 4.120 0.001 0.000 0.245 204 V C 2.504 178.691 176.094 0.157 0.000 1.041 204 V CA 1.451 63.846 62.300 0.158 0.000 1.040 204 V CB -0.683 31.305 31.823 0.276 0.000 0.671 204 V HN 0.400 nan 8.190 nan 0.000 0.455 205 V N -0.310 119.694 119.914 0.150 0.000 2.255 205 V HA -0.274 3.846 4.120 0.001 0.000 0.247 205 V C 2.674 178.821 176.094 0.088 0.000 1.051 205 V CA 1.886 64.259 62.300 0.122 0.000 1.018 205 V CB -0.686 31.195 31.823 0.097 0.000 0.641 205 V HN 0.485 nan 8.190 nan 0.000 0.445 206 Q N -0.115 119.720 119.800 0.058 0.000 2.030 206 Q HA -0.237 4.103 4.340 0.001 0.000 0.204 206 Q C 2.376 178.382 176.000 0.010 0.000 0.986 206 Q CA 2.091 57.904 55.803 0.018 0.000 0.843 206 Q CB -0.644 28.097 28.738 0.006 0.000 0.904 206 Q HN 0.617 nan 8.270 nan 0.000 0.420 207 R N 0.321 120.840 120.500 0.033 0.000 2.133 207 R HA -0.150 4.190 4.340 0.001 0.000 0.247 207 R C 2.226 178.559 176.300 0.055 0.000 1.151 207 R CA 1.483 57.604 56.100 0.034 0.000 0.971 207 R CB -0.259 30.070 30.300 0.050 0.000 0.866 207 R HN 0.266 nan 8.270 nan 0.000 0.447 208 I N 0.193 120.826 120.570 0.105 0.000 2.406 208 I HA -0.118 4.053 4.170 0.001 0.000 0.249 208 I C 2.558 178.741 176.117 0.109 0.000 1.122 208 I CA 0.876 62.275 61.300 0.164 0.000 1.431 208 I CB -0.381 37.770 38.000 0.252 0.000 1.087 208 I HN 0.276 nan 8.210 nan 0.000 0.424 209 A N 0.590 123.421 122.820 0.018 0.000 1.902 209 A HA -0.230 4.091 4.320 0.001 0.000 0.217 209 A C 2.148 179.421 177.584 -0.519 0.000 1.181 209 A CA 1.447 53.373 52.037 -0.185 0.000 0.623 209 A CB -0.573 18.367 19.000 -0.100 0.000 0.818 209 A HN 0.498 nan 8.150 nan 0.000 0.443 210 Q N 0.320 119.949 119.800 -0.284 0.000 2.482 210 Q HA -0.002 4.338 4.340 0.001 0.000 0.209 210 Q C 1.410 177.255 176.000 -0.259 0.000 0.961 210 Q CA 0.756 56.384 55.803 -0.292 0.000 0.945 210 Q CB -0.105 28.540 28.738 -0.156 0.000 1.012 210 Q HN 0.775 nan 8.270 nan 0.000 0.515 211 S N -0.076 115.510 115.700 -0.189 0.000 2.634 211 S HA 0.168 4.638 4.470 0.001 0.000 0.221 211 S C 0.053 174.691 174.600 0.062 0.000 0.952 211 S CA -0.608 57.589 58.200 -0.007 0.000 0.930 211 S CB -0.394 62.880 63.200 0.123 0.000 0.780 211 S HN 0.352 nan 8.310 nan 0.000 0.498 212 F N -2.550 117.239 119.950 -0.269 0.000 2.711 212 F HA 0.777 5.305 4.527 0.001 0.000 0.313 212 F C -3.492 171.835 175.800 -0.787 0.000 1.141 212 F CA -2.895 54.661 58.000 -0.740 0.000 0.941 212 F CB -0.155 38.498 39.000 -0.580 0.000 1.349 212 F HN -0.295 nan 8.300 nan 0.000 0.464 213 P HA 0.032 nan 4.420 nan 0.000 0.260 213 P C 0.269 177.384 177.300 -0.307 0.000 1.172 213 P CA 0.334 63.022 63.100 -0.686 0.000 0.760 213 P CB 0.642 31.689 31.700 -1.088 0.000 0.773 214 Q N 3.293 122.960 119.800 -0.221 0.000 2.020 214 Q HA -0.174 4.167 4.340 0.001 0.000 0.202 214 Q C 1.693 177.726 176.000 0.055 0.000 0.982 214 Q CA 1.729 57.466 55.803 -0.109 0.000 0.838 214 Q CB -0.802 27.877 28.738 -0.099 0.000 0.899 214 Q HN 0.633 nan 8.270 nan 0.000 0.423 215 N N -0.451 118.300 118.700 0.084 0.000 2.417 215 N HA -0.198 4.542 4.740 0.001 0.000 0.187 215 N C 1.246 176.930 175.510 0.290 0.000 1.027 215 N CA 0.976 54.122 53.050 0.160 0.000 0.891 215 N CB -0.474 38.103 38.487 0.149 0.000 0.956 215 N HN 0.274 nan 8.380 nan 0.000 0.442 216 W N 1.020 122.362 121.300 0.070 0.000 2.425 216 W HA 0.225 4.886 4.660 0.001 0.000 0.277 216 W C 0.771 177.340 176.519 0.084 0.000 1.231 216 W CA -0.233 57.163 57.345 0.086 0.000 1.248 216 W CB -0.682 28.896 29.460 0.196 0.000 1.117 216 W HN 0.025 nan 8.180 nan 0.000 0.568 217 L N 1.777 123.202 121.223 0.337 0.000 2.290 217 L HA 0.230 4.571 4.340 0.001 0.000 0.284 217 L C -0.079 176.855 176.870 0.107 0.000 1.078 217 L CA 0.181 55.148 54.840 0.211 0.000 0.815 217 L CB 0.481 42.647 42.059 0.178 0.000 1.162 217 L HN -0.283 nan 8.230 nan 0.000 0.435 218 K N 6.694 127.131 120.400 0.063 0.000 2.521 218 K HA 0.422 4.743 4.320 0.001 0.000 0.248 218 K C -1.003 175.612 176.600 0.025 0.000 0.978 218 K CA -0.464 55.845 56.287 0.037 0.000 0.947 218 K CB 1.051 33.560 32.500 0.014 0.000 1.165 218 K HN 0.580 nan 8.250 nan 0.000 0.445 219 L N 0.586 121.825 121.223 0.026 0.000 2.479 219 L HA 0.194 4.534 4.340 0.001 0.000 0.249 219 L C 1.109 177.980 176.870 0.001 0.000 1.178 219 L CA -0.241 54.606 54.840 0.011 0.000 0.811 219 L CB 0.875 42.944 42.059 0.017 0.000 1.187 219 L HN 0.741 nan 8.230 nan 0.000 0.480 220 S N -1.162 114.527 115.700 -0.018 0.000 3.143 220 S HA -0.217 4.253 4.470 0.001 0.000 0.291 220 S C 0.123 174.709 174.600 -0.023 0.000 1.294 220 S CA 1.082 59.269 58.200 -0.021 0.000 1.115 220 S CB -1.315 61.888 63.200 0.004 0.000 1.318 220 S HN 0.782 nan 8.310 nan 0.000 0.685 221 c N 2.760 121.344 118.600 -0.027 0.000 2.246 221 c HA 0.646 5.217 4.570 0.001 0.000 0.329 221 c C 0.254 174.313 174.090 -0.052 0.000 1.221 221 c CA -0.698 55.624 56.329 -0.011 0.000 1.697 221 c CB 0.193 42.718 42.510 0.025 0.000 2.312 221 c HN 0.533 nan 8.230 nan 0.000 0.509 222 E N 5.174 125.347 120.200 -0.045 0.000 2.089 222 E HA 0.411 4.761 4.350 0.001 0.000 0.284 222 E C -0.651 175.941 176.600 -0.014 0.000 1.023 222 E CA -0.416 55.947 56.400 -0.062 0.000 0.819 222 E CB 1.072 30.771 29.700 -0.001 0.000 1.076 222 E HN 0.725 nan 8.360 nan 0.000 0.396 223 V N 6.124 126.023 119.914 -0.024 0.000 2.585 223 V HA -0.035 4.086 4.120 0.001 0.000 0.296 223 V C 1.196 177.282 176.094 -0.014 0.000 1.035 223 V CA 0.643 62.932 62.300 -0.018 0.000 1.084 223 V CB 0.849 32.651 31.823 -0.034 0.000 0.953 223 V HN 0.807 nan 8.190 nan 0.000 0.483 224 K N 2.589 122.975 120.400 -0.024 0.000 2.391 224 K HA 0.297 4.617 4.320 0.001 0.000 0.197 224 K C 0.330 176.887 176.600 -0.072 0.000 1.087 224 K CA 0.316 56.588 56.287 -0.025 0.000 1.012 224 K CB 0.755 33.251 32.500 -0.007 0.000 0.925 224 K HN 0.679 nan 8.250 nan 0.000 0.547 225 S N 0.085 115.718 115.700 -0.112 0.000 2.567 225 S HA 0.569 5.039 4.470 0.001 0.000 0.270 225 S C -1.065 173.406 174.600 -0.215 0.000 1.152 225 S CA -1.035 57.059 58.200 -0.178 0.000 0.835 225 S CB 1.136 64.272 63.200 -0.107 0.000 1.115 225 S HN 0.159 nan 8.310 nan 0.000 0.459 226 I N 1.305 121.687 120.570 -0.313 0.000 2.569 226 I HA 0.564 4.735 4.170 0.001 0.000 0.290 226 I C -0.954 175.072 176.117 -0.152 0.000 1.088 226 I CA -0.397 60.748 61.300 -0.258 0.000 1.047 226 I CB 2.704 40.469 38.000 -0.392 0.000 1.237 226 I HN 0.785 nan 8.210 nan 0.000 0.421 227 T N 3.939 118.448 114.554 -0.075 0.000 2.893 227 T HA 0.469 4.820 4.350 0.001 0.000 0.293 227 T C -0.666 174.024 174.700 -0.017 0.000 1.027 227 T CA -0.748 61.337 62.100 -0.026 0.000 0.988 227 T CB 2.070 70.923 68.868 -0.025 0.000 1.043 227 T HN 0.368 nan 8.240 nan 0.000 0.461 228 R N 2.608 123.110 120.500 0.004 0.000 2.215 228 R HA 0.329 4.669 4.340 0.001 0.000 0.336 228 R C -0.571 175.721 176.300 -0.014 0.000 0.996 228 R CA -0.498 55.596 56.100 -0.009 0.000 0.847 228 R CB 0.321 30.625 30.300 0.006 0.000 1.127 228 R HN 0.408 nan 8.270 nan 0.000 0.465 229 E N 6.769 126.952 120.200 -0.028 0.000 2.070 229 E HA 0.146 4.497 4.350 0.001 0.000 0.282 229 E C -2.024 174.559 176.600 -0.029 0.000 1.104 229 E CA -2.356 54.028 56.400 -0.026 0.000 0.876 229 E CB 0.780 30.462 29.700 -0.032 0.000 1.055 229 E HN 0.493 nan 8.360 nan 0.000 0.401 230 P HA -0.106 nan 4.420 nan 0.000 0.196 230 P C -0.597 176.688 177.300 -0.026 0.000 1.360 230 P CA 0.502 63.590 63.100 -0.020 0.000 1.128 230 P CB -0.630 31.064 31.700 -0.011 0.000 1.750 231 S N -0.713 114.965 115.700 -0.037 0.000 3.015 231 S HA 0.361 4.831 4.470 0.001 0.000 0.135 231 S C 0.340 174.906 174.600 -0.057 0.000 0.774 231 S CA -0.225 57.951 58.200 -0.040 0.000 0.845 231 S CB -1.086 62.096 63.200 -0.031 0.000 1.565 231 S HN 0.417 nan 8.310 nan 0.000 0.576 232 K N -1.784 118.569 120.400 -0.078 0.000 3.078 232 K HA 0.041 4.361 4.320 0.001 0.000 0.261 232 K C 0.102 176.630 176.600 -0.120 0.000 0.947 232 K CA 2.262 58.480 56.287 -0.115 0.000 0.702 232 K CB -2.826 nan 32.500 nan 0.000 1.318 232 K HN 2.564 nan 8.250 nan 0.000 0.473 233 N N -1.198 117.437 118.700 -0.109 0.000 2.371 233 N HA 0.707 5.448 4.740 0.001 0.000 0.280 233 N C -0.847 174.611 175.510 -0.087 0.000 1.084 233 N CA 0.011 53.004 53.050 -0.095 0.000 0.892 233 N CB 2.260 40.709 38.487 -0.063 0.000 1.653 233 N HN 0.860 nan 8.380 nan 0.000 0.480 234 V N 1.303 121.166 119.914 -0.085 0.000 2.588 234 V HA 0.712 4.833 4.120 0.001 0.000 0.304 234 V C 0.031 176.096 176.094 -0.048 0.000 1.042 234 V CA -0.568 61.689 62.300 -0.070 0.000 0.877 234 V CB 1.736 33.507 31.823 -0.087 0.000 0.996 234 V HN 0.886 nan 8.190 nan 0.000 0.425 235 T N 4.292 118.820 114.554 -0.042 0.000 2.767 235 T HA 0.655 5.005 4.350 0.001 0.000 0.284 235 T C -0.369 174.309 174.700 -0.036 0.000 0.973 235 T CA -0.389 61.693 62.100 -0.031 0.000 0.996 235 T CB 1.543 70.391 68.868 -0.034 0.000 0.927 235 T HN 0.364 nan 8.240 nan 0.000 0.456 236 V N 4.051 123.964 119.914 -0.002 0.000 2.604 236 V HA 0.473 4.593 4.120 0.001 0.000 0.305 236 V C -0.283 175.826 176.094 0.025 0.000 1.043 236 V CA -1.038 61.262 62.300 -0.000 0.000 0.888 236 V CB 1.875 33.715 31.823 0.028 0.000 0.995 236 V HN 0.892 nan 8.190 nan 0.000 0.429 237 N N 2.495 121.191 118.700 -0.007 0.000 2.524 237 N HA 0.401 5.141 4.740 0.001 0.000 0.261 237 N C -0.748 174.766 175.510 0.007 0.000 0.998 237 N CA -0.607 52.438 53.050 -0.009 0.000 0.915 237 N CB 1.565 40.032 38.487 -0.033 0.000 1.187 237 N HN 0.541 nan 8.380 nan 0.000 0.507 238 c N 1.239 119.861 118.600 0.036 0.000 2.705 238 c HA -0.009 4.562 4.570 0.001 0.000 0.365 238 c C 2.151 176.247 174.090 0.011 0.000 1.353 238 c CA -0.031 56.321 56.329 0.037 0.000 2.339 238 c CB 0.142 42.695 42.510 0.071 0.000 2.576 238 c HN 0.809 nan 8.230 nan 0.000 0.716 239 E N 0.461 120.669 120.200 0.013 0.000 2.427 239 E HA -0.110 4.240 4.350 0.001 0.000 0.196 239 E C 0.623 177.227 176.600 0.007 0.000 1.028 239 E CA 1.326 57.732 56.400 0.011 0.000 0.864 239 E CB -0.465 29.250 29.700 0.024 0.000 0.813 239 E HN 0.793 nan 8.360 nan 0.000 0.514 240 D N -0.239 120.166 120.400 0.008 0.000 2.400 240 D HA 0.152 4.792 4.640 0.001 0.000 0.243 240 D C 1.364 177.655 176.300 -0.014 0.000 1.184 240 D CA 0.444 54.446 54.000 0.003 0.000 0.853 240 D CB 0.063 40.870 40.800 0.012 0.000 0.944 240 D HN 0.261 nan 8.370 nan 0.000 0.501 241 G N 0.091 108.878 108.800 -0.021 0.000 2.377 241 G HA2 -0.370 3.591 3.960 0.001 0.000 0.250 241 G HA3 -0.370 3.591 3.960 0.001 0.000 0.250 241 G C 0.731 175.587 174.900 -0.074 0.000 1.039 241 G CA 0.671 45.747 45.100 -0.040 0.000 0.625 241 G HN 0.778 nan 8.290 nan 0.000 0.526 242 T N -0.689 113.810 114.554 -0.092 0.000 2.906 242 T HA 0.474 4.824 4.350 0.001 0.000 0.320 242 T C 0.048 174.606 174.700 -0.237 0.000 1.088 242 T CA 0.271 62.249 62.100 -0.203 0.000 1.120 242 T CB 2.350 71.071 68.868 -0.245 0.000 1.000 242 T HN 1.092 nan 8.240 nan 0.000 0.550 243 V N 2.335 122.019 119.914 -0.384 0.000 2.686 243 V HA 0.511 4.631 4.120 0.001 0.000 0.306 243 V C -1.237 174.599 176.094 -0.430 0.000 1.065 243 V CA -1.073 61.062 62.300 -0.275 0.000 0.894 243 V CB 1.395 33.123 31.823 -0.159 0.000 1.004 243 V HN 0.940 nan 8.190 nan 0.000 0.424 244 Y N 1.893 122.161 120.300 -0.053 0.000 2.562 244 Y HA 0.541 5.092 4.550 0.001 0.000 0.343 244 Y C 0.308 176.170 175.900 -0.063 0.000 1.025 244 Y CA -0.771 57.294 58.100 -0.058 0.000 1.082 244 Y CB 2.047 40.467 38.460 -0.067 0.000 1.264 244 Y HN 0.526 nan 8.280 nan 0.000 0.478 245 N N 1.134 119.904 118.700 0.117 0.000 2.314 245 N HA 0.754 5.495 4.740 0.001 0.000 0.294 245 N C -1.689 173.826 175.510 0.007 0.000 1.029 245 N CA -0.129 52.939 53.050 0.030 0.000 0.845 245 N CB 1.855 40.344 38.487 0.003 0.000 1.321 245 N HN 0.834 nan 8.380 nan 0.000 0.481 246 A N 2.153 124.954 122.820 -0.031 0.000 2.556 246 A HA 0.399 4.720 4.320 0.001 0.000 0.294 246 A C 0.150 177.678 177.584 -0.095 0.000 1.091 246 A CA -0.563 51.440 52.037 -0.057 0.000 0.704 246 A CB 1.188 20.148 19.000 -0.067 0.000 1.300 246 A HN 0.629 nan 8.150 nan 0.000 0.406 247 D N -0.516 119.828 120.400 -0.094 0.000 2.162 247 D HA 0.062 4.703 4.640 0.001 0.000 0.203 247 D C -0.508 175.516 176.300 -0.460 0.000 0.967 247 D CA 2.085 55.949 54.000 -0.227 0.000 0.840 247 D CB 0.091 40.842 40.800 -0.082 0.000 0.972 247 D HN 0.534 nan 8.370 nan 0.000 0.482 248 Y N -0.872 119.376 120.300 -0.087 0.000 2.553 248 Y HA 0.378 4.929 4.550 0.001 0.000 0.347 248 Y C -0.280 175.548 175.900 -0.119 0.000 1.019 248 Y CA -1.304 56.738 58.100 -0.097 0.000 1.032 248 Y CB 2.311 40.714 38.460 -0.096 0.000 1.284 248 Y HN -0.316 nan 8.280 nan 0.000 0.466 249 V N 0.191 120.131 119.914 0.043 0.000 2.760 249 V HA 0.671 4.792 4.120 0.001 0.000 0.309 249 V C -1.139 174.908 176.094 -0.079 0.000 1.077 249 V CA -0.994 61.277 62.300 -0.048 0.000 0.910 249 V CB 1.960 33.734 31.823 -0.080 0.000 1.008 249 V HN 0.696 nan 8.190 nan 0.000 0.424 250 I N 5.220 125.736 120.570 -0.090 0.000 2.405 250 I HA 0.451 4.621 4.170 0.001 0.000 0.280 250 I C -0.345 175.733 176.117 -0.065 0.000 1.027 250 I CA -0.360 60.882 61.300 -0.097 0.000 1.161 250 I CB 1.401 39.354 38.000 -0.079 0.000 1.300 250 I HN 0.550 nan 8.210 nan 0.000 0.463 251 I N 5.552 126.069 120.570 -0.088 0.000 2.452 251 I HA 0.067 4.237 4.170 0.001 0.000 0.287 251 I C 1.249 177.483 176.117 0.196 0.000 1.079 251 I CA 0.271 61.611 61.300 0.067 0.000 1.387 251 I CB 0.899 38.985 38.000 0.144 0.000 1.404 251 I HN 0.614 nan 8.210 nan 0.000 0.522 252 T N 2.697 117.355 114.554 0.173 0.000 3.200 252 T HA 0.207 4.558 4.350 0.001 0.000 0.284 252 T C 0.226 175.069 174.700 0.237 0.000 1.009 252 T CA -0.448 61.771 62.100 0.199 0.000 0.907 252 T CB -0.391 68.548 68.868 0.118 0.000 1.120 252 T HN 0.358 nan 8.240 nan 0.000 0.534 253 V N -0.347 119.712 119.914 0.242 0.000 2.963 253 V HA 0.487 4.607 4.120 0.001 0.000 0.306 253 V C -2.579 173.629 176.094 0.191 0.000 1.077 253 V CA -2.067 60.353 62.300 0.201 0.000 1.124 253 V CB -0.171 31.759 31.823 0.180 0.000 0.987 253 V HN 0.053 nan 8.190 nan 0.000 0.487 254 P HA 0.005 nan 4.420 nan 0.000 0.266 254 P C 0.739 177.857 177.300 -0.303 0.000 1.193 254 P CA 0.327 63.418 63.100 -0.015 0.000 0.770 254 P CB 0.334 32.054 31.700 0.032 0.000 0.836 255 Q N 2.379 121.784 119.800 -0.658 0.000 2.152 255 Q HA -0.244 4.096 4.340 0.001 0.000 0.206 255 Q C 1.698 177.460 176.000 -0.396 0.000 0.985 255 Q CA 2.524 57.952 55.803 -0.625 0.000 0.863 255 Q CB -0.324 28.127 28.738 -0.479 0.000 0.904 255 Q HN 0.585 nan 8.270 nan 0.000 0.422 256 S N -1.055 114.166 115.700 -0.799 0.000 2.402 256 S HA -0.088 4.383 4.470 0.001 0.000 0.229 256 S C 1.905 176.293 174.600 -0.353 0.000 1.021 256 S CA 1.175 58.953 58.200 -0.704 0.000 0.974 256 S CB -0.389 62.149 63.200 -1.104 0.000 0.800 256 S HN 0.255 nan 8.310 nan 0.000 0.484 257 V N 1.570 121.339 119.914 -0.242 0.000 2.346 257 V HA 0.005 4.125 4.120 0.001 0.000 0.244 257 V C 2.431 178.489 176.094 -0.061 0.000 1.037 257 V CA 1.453 63.700 62.300 -0.089 0.000 1.029 257 V CB -0.799 31.038 31.823 0.023 0.000 0.663 257 V HN 0.476 nan 8.190 nan 0.000 0.454 258 L N 1.272 122.477 121.223 -0.030 0.000 2.187 258 L HA -0.148 4.192 4.340 0.001 0.000 0.213 258 L C 2.034 178.802 176.870 -0.170 0.000 1.100 258 L CA 1.949 56.821 54.840 0.053 0.000 0.765 258 L CB -1.095 41.060 42.059 0.161 0.000 0.904 258 L HN 0.403 nan 8.230 nan 0.000 0.437 259 N N -0.512 117.947 118.700 -0.402 0.000 2.309 259 N HA -0.162 4.579 4.740 0.001 0.000 0.182 259 N C 1.651 176.817 175.510 -0.573 0.000 1.018 259 N CA 1.184 53.646 53.050 -0.980 0.000 0.876 259 N CB -0.265 37.792 38.487 -0.716 0.000 0.972 259 N HN 0.497 nan 8.380 nan 0.000 0.434 260 L N -0.483 120.567 121.223 -0.288 0.000 2.362 260 L HA -0.025 4.316 4.340 0.001 0.000 0.219 260 L C 1.852 178.657 176.870 -0.107 0.000 1.134 260 L CA 0.483 55.224 54.840 -0.165 0.000 0.807 260 L CB -0.255 41.752 42.059 -0.087 0.000 0.927 260 L HN 0.127 nan 8.230 nan 0.000 0.447 261 S N -0.098 115.548 115.700 -0.090 0.000 2.428 261 S HA -0.099 4.371 4.470 0.001 0.000 0.230 261 S C 1.794 176.373 174.600 -0.035 0.000 1.014 261 S CA 1.200 59.419 58.200 0.031 0.000 0.957 261 S CB -0.060 63.257 63.200 0.195 0.000 0.784 261 S HN 0.457 nan 8.310 nan 0.000 0.499 262 V N -0.357 119.459 119.914 -0.162 0.000 3.630 262 V HA 0.231 4.352 4.120 0.001 0.000 0.273 262 V C 0.033 176.071 176.094 -0.092 0.000 1.248 262 V CA 0.208 62.431 62.300 -0.128 0.000 1.170 262 V CB -0.749 30.963 31.823 -0.185 0.000 0.899 262 V HN 0.266 nan 8.190 nan 0.000 0.457 263 Q N 1.686 121.434 119.800 -0.086 0.000 2.348 263 Q HA 0.561 4.901 4.340 0.001 0.000 0.271 263 Q C -2.744 173.239 176.000 -0.029 0.000 1.067 263 Q CA -2.083 53.686 55.803 -0.058 0.000 0.839 263 Q CB 2.257 30.951 28.738 -0.073 0.000 1.354 263 Q HN 0.231 nan 8.270 nan 0.000 0.447 264 P HA 0.180 nan 4.420 nan 0.000 0.282 264 P C -1.010 176.284 177.300 -0.009 0.000 1.262 264 P CA -0.004 63.091 63.100 -0.007 0.000 0.773 264 P CB 0.982 32.679 31.700 -0.004 0.000 0.879 265 E N 1.998 122.196 120.200 -0.004 0.000 6.778 265 E HA 0.143 4.493 4.350 0.001 0.000 0.254 265 E C -0.399 176.200 176.600 -0.001 0.000 0.954 265 E CA 0.227 56.624 56.400 -0.004 0.000 1.438 265 E CB -1.222 28.472 29.700 -0.010 0.000 0.922 265 E HN 0.311 nan 8.360 nan 0.000 0.430 266 K N 3.641 124.043 120.400 0.003 0.000 2.417 266 K HA 0.232 4.553 4.320 0.001 0.000 0.196 266 K C 0.819 177.423 176.600 0.006 0.000 1.023 266 K CA 0.670 56.962 56.287 0.007 0.000 1.122 266 K CB -0.210 32.296 32.500 0.009 0.000 0.850 266 K HN 0.479 nan 8.250 nan 0.000 0.521 267 N N 0.659 119.361 118.700 0.002 0.000 2.451 267 N HA 0.218 4.959 4.740 0.001 0.000 0.264 267 N C -1.038 174.471 175.510 -0.001 0.000 1.167 267 N CA -0.199 52.852 53.050 0.003 0.000 0.898 267 N CB -0.035 38.452 38.487 0.001 0.000 1.176 267 N HN 0.285 nan 8.380 nan 0.000 0.507 268 L N 1.643 122.865 121.223 -0.002 0.000 2.296 268 L HA 0.420 4.761 4.340 0.001 0.000 0.286 268 L C 0.245 177.113 176.870 -0.004 0.000 1.023 268 L CA -0.871 53.960 54.840 -0.014 0.000 0.812 268 L CB 1.449 43.495 42.059 -0.023 0.000 1.223 268 L HN 0.056 nan 8.230 nan 0.000 0.421 269 R N 2.197 122.680 120.500 -0.029 0.000 2.486 269 R HA 0.201 4.541 4.340 0.001 0.000 0.303 269 R C 1.143 177.444 176.300 0.002 0.000 0.958 269 R CA 1.248 57.333 56.100 -0.024 0.000 1.077 269 R CB 0.026 30.226 30.300 -0.166 0.000 0.921 269 R HN 0.965 nan 8.270 nan 0.000 0.406 270 G N 2.329 111.262 108.800 0.221 0.000 2.308 270 G HA2 -0.339 3.621 3.960 0.001 0.000 0.221 270 G HA3 -0.339 3.621 3.960 0.001 0.000 0.221 270 G C 0.263 175.253 174.900 0.150 0.000 1.032 270 G CA -0.005 45.270 45.100 0.291 0.000 0.623 270 G HN 0.609 nan 8.290 nan 0.000 0.506 271 R N 1.202 121.752 120.500 0.082 0.000 2.538 271 R HA 0.394 4.734 4.340 0.001 0.000 0.282 271 R C -0.134 176.201 176.300 0.059 0.000 1.009 271 R CA 0.285 56.422 56.100 0.061 0.000 1.063 271 R CB -0.096 30.222 30.300 0.030 0.000 0.945 271 R HN 0.356 nan 8.270 nan 0.000 0.414 272 I N 3.566 124.181 120.570 0.076 0.000 2.378 272 I HA 0.137 4.307 4.170 0.001 0.000 0.291 272 I C -0.267 175.840 176.117 -0.017 0.000 0.992 272 I CA -0.817 60.466 61.300 -0.028 0.000 1.154 272 I CB 1.849 39.779 38.000 -0.117 0.000 1.315 272 I HN 0.617 nan 8.210 nan 0.000 0.448 273 E N 6.421 126.571 120.200 -0.083 0.000 2.180 273 E HA 0.302 4.652 4.350 0.001 0.000 0.283 273 E C -1.574 174.972 176.600 -0.091 0.000 1.061 273 E CA -0.035 56.361 56.400 -0.007 0.000 0.861 273 E CB 0.436 30.129 29.700 -0.012 0.000 1.056 273 E HN 0.226 nan 8.360 nan 0.000 0.407 274 F N 3.498 123.469 119.950 0.034 0.000 2.420 274 F HA 0.398 4.926 4.527 0.001 0.000 0.342 274 F C 0.226 176.044 175.800 0.030 0.000 1.113 274 F CA -0.509 57.516 58.000 0.042 0.000 1.059 274 F CB 1.586 40.629 39.000 0.070 0.000 1.128 274 F HN 0.303 nan 8.300 nan 0.000 0.475 275 Q N 4.943 124.848 119.800 0.175 0.000 2.337 275 Q HA 0.296 4.636 4.340 0.001 0.000 0.260 275 Q C -2.642 173.415 176.000 0.096 0.000 0.982 275 Q CA -2.097 53.771 55.803 0.108 0.000 0.734 275 Q CB 2.327 31.095 28.738 0.050 0.000 1.272 275 Q HN 0.295 nan 8.270 nan 0.000 0.461 276 P HA 0.207 nan 4.420 nan 0.000 0.272 276 P C -2.480 174.905 177.300 0.142 0.000 1.230 276 P CA -1.186 61.971 63.100 0.095 0.000 0.788 276 P CB 0.182 31.921 31.700 0.065 0.000 0.949 277 P HA 0.059 nan 4.420 nan 0.000 0.269 277 P C 0.170 177.494 177.300 0.040 0.000 1.209 277 P CA 0.071 63.237 63.100 0.110 0.000 0.776 277 P CB 0.478 32.219 31.700 0.069 0.000 0.876 278 L N 1.998 123.181 121.223 -0.067 0.000 2.615 278 L HA -0.076 4.264 4.340 0.001 0.000 0.284 278 L C 1.465 178.309 176.870 -0.044 0.000 1.237 278 L CA 0.484 55.241 54.840 -0.138 0.000 0.905 278 L CB -0.639 41.254 42.059 -0.276 0.000 1.149 278 L HN 0.333 nan 8.230 nan 0.000 0.499 279 K N 5.149 125.537 120.400 -0.021 0.000 2.494 279 K HA -0.034 4.287 4.320 0.001 0.000 0.273 279 K C -1.282 175.309 176.600 -0.016 0.000 0.970 279 K CA -0.940 55.343 56.287 -0.007 0.000 0.963 279 K CB 0.156 32.657 32.500 0.001 0.000 0.913 279 K HN 0.421 nan 8.250 nan 0.000 0.502 280 P HA -0.151 nan 4.420 nan 0.000 0.219 280 P C 1.222 178.510 177.300 -0.020 0.000 1.146 280 P CA 1.001 64.098 63.100 -0.006 0.000 0.808 280 P CB 0.102 31.802 31.700 -0.001 0.000 0.779 281 V N 0.189 120.084 119.914 -0.032 0.000 2.407 281 V HA -0.213 3.907 4.120 0.001 0.000 0.248 281 V C 2.654 178.690 176.094 -0.096 0.000 1.055 281 V CA 1.531 63.799 62.300 -0.053 0.000 1.049 281 V CB -0.905 30.889 31.823 -0.048 0.000 0.662 281 V HN 0.028 nan 8.190 nan 0.000 0.455 282 I N -0.798 119.708 120.570 -0.106 0.000 2.233 282 I HA -0.236 3.934 4.170 0.001 0.000 0.243 282 I C 2.683 178.733 176.117 -0.112 0.000 1.093 282 I CA 1.402 62.590 61.300 -0.187 0.000 1.380 282 I CB -0.382 37.503 38.000 -0.193 0.000 1.067 282 I HN 0.327 nan 8.210 nan 0.000 0.413 283 Q N 0.633 120.450 119.800 0.028 0.000 2.061 283 Q HA -0.243 4.098 4.340 0.001 0.000 0.204 283 Q C 1.715 177.802 176.000 0.145 0.000 0.984 283 Q CA 1.748 57.651 55.803 0.166 0.000 0.846 283 Q CB -0.094 28.686 28.738 0.069 0.000 0.902 283 Q HN 0.478 nan 8.270 nan 0.000 0.421 284 D N -0.023 120.395 120.400 0.032 0.000 2.264 284 D HA -0.090 4.551 4.640 0.001 0.000 0.208 284 D C 1.517 177.796 176.300 -0.036 0.000 0.966 284 D CA 0.943 54.950 54.000 0.012 0.000 0.864 284 D CB -0.077 40.720 40.800 -0.006 0.000 0.933 284 D HN 0.251 nan 8.370 nan 0.000 0.499 285 A N 0.056 122.799 122.820 -0.129 0.000 2.067 285 A HA -0.097 4.223 4.320 0.001 0.000 0.219 285 A C 1.769 179.172 177.584 -0.302 0.000 1.158 285 A CA 0.491 52.384 52.037 -0.240 0.000 0.661 285 A CB -0.885 17.905 19.000 -0.350 0.000 0.801 285 A HN 0.153 nan 8.150 nan 0.000 0.452 286 F N 0.379 120.237 119.950 -0.154 0.000 2.546 286 F HA -0.102 4.426 4.527 0.001 0.000 0.298 286 F C 1.479 177.135 175.800 -0.241 0.000 1.120 286 F CA 1.018 58.897 58.000 -0.202 0.000 1.456 286 F CB 0.129 39.028 39.000 -0.167 0.000 1.088 286 F HN 0.238 nan 8.300 nan 0.000 0.572 287 D N -0.480 119.917 120.400 -0.006 0.000 2.348 287 D HA -0.019 4.621 4.640 0.001 0.000 0.211 287 D C 1.484 177.766 176.300 -0.030 0.000 0.998 287 D CA 0.636 54.640 54.000 0.007 0.000 0.873 287 D CB 0.040 40.873 40.800 0.054 0.000 0.925 287 D HN 0.194 nan 8.370 nan 0.000 0.524 288 K N 0.382 120.713 120.400 -0.115 0.000 2.455 288 K HA 0.241 4.561 4.320 0.001 0.000 0.206 288 K C -0.070 176.444 176.600 -0.143 0.000 1.027 288 K CA -0.441 55.803 56.287 -0.070 0.000 1.113 288 K CB 1.460 33.930 32.500 -0.050 0.000 0.850 288 K HN 0.084 nan 8.250 nan 0.000 0.503 289 I N -0.643 119.702 120.570 -0.375 0.000 2.785 289 I HA 0.256 4.427 4.170 0.001 0.000 0.293 289 I C -1.316 174.378 176.117 -0.705 0.000 1.446 289 I CA -0.466 60.634 61.300 -0.333 0.000 1.028 289 I CB 1.470 39.351 38.000 -0.199 0.000 1.349 289 I HN 0.093 nan 8.210 nan 0.000 0.438 290 H N 4.807 123.723 119.070 -0.256 0.000 3.436 290 H HA 0.703 5.260 4.556 0.001 0.000 0.312 290 H C -1.627 173.692 175.328 -0.015 0.000 1.675 290 H CA -0.428 55.423 56.048 -0.328 0.000 1.361 290 H CB 0.981 30.047 29.762 -1.160 0.000 1.731 290 H HN 0.417 nan 8.280 nan 0.000 0.732 291 F N 0.164 120.065 119.950 -0.082 0.000 2.551 291 F HA 0.596 5.123 4.527 0.001 0.000 0.316 291 F C 0.427 176.257 175.800 0.050 0.000 1.089 291 F CA -0.569 57.427 58.000 -0.006 0.000 0.915 291 F CB 1.787 40.795 39.000 0.013 0.000 1.186 291 F HN 0.571 nan 8.300 nan 0.000 0.456 292 G N 1.215 109.841 108.800 -0.289 0.000 2.488 292 G HA2 0.591 4.551 3.960 0.001 0.000 0.318 292 G HA3 0.591 4.551 3.960 0.001 0.000 0.318 292 G C -1.425 173.315 174.900 -0.266 0.000 1.188 292 G CA -0.550 44.425 45.100 -0.208 0.000 0.944 292 G HN 0.925 nan 8.290 nan 0.000 0.495 293 A N 0.712 123.458 122.820 -0.124 0.000 3.204 293 A HA 0.517 4.837 4.320 0.001 0.000 0.327 293 A C -0.436 177.121 177.584 -0.045 0.000 0.998 293 A CA -0.424 51.581 52.037 -0.053 0.000 0.891 293 A CB 0.096 19.134 19.000 0.064 0.000 1.061 293 A HN 0.583 nan 8.150 nan 0.000 0.478 294 L N 1.540 122.672 121.223 -0.151 0.000 2.367 294 L HA 0.650 4.991 4.340 0.001 0.000 0.275 294 L C 0.596 177.516 176.870 0.083 0.000 1.129 294 L CA 0.678 55.502 54.840 -0.026 0.000 0.839 294 L CB 1.054 43.090 42.059 -0.038 0.000 1.133 294 L HN 0.469 nan 8.230 nan 0.000 0.453 295 G N 3.883 112.755 108.800 0.120 0.000 2.569 295 G HA2 0.608 4.569 3.960 0.001 0.000 0.300 295 G HA3 0.608 4.569 3.960 0.001 0.000 0.300 295 G C -1.417 173.551 174.900 0.113 0.000 1.269 295 G CA -0.707 44.485 45.100 0.153 0.000 0.959 295 G HN 0.529 nan 8.290 nan 0.000 0.478 296 K N -0.466 119.985 120.400 0.086 0.000 2.371 296 K HA 0.660 4.980 4.320 0.001 0.000 0.251 296 K C -1.426 175.093 176.600 -0.135 0.000 0.934 296 K CA -0.722 55.562 56.287 -0.005 0.000 0.798 296 K CB 3.028 35.557 32.500 0.049 0.000 1.204 296 K HN 0.244 nan 8.250 nan 0.000 0.427 297 V N 4.130 123.883 119.914 -0.268 0.000 2.569 297 V HA 0.367 4.487 4.120 0.001 0.000 0.301 297 V C -0.786 174.943 176.094 -0.608 0.000 1.044 297 V CA -0.922 61.078 62.300 -0.500 0.000 0.874 297 V CB 1.636 33.020 31.823 -0.731 0.000 1.002 297 V HN 0.623 nan 8.190 nan 0.000 0.424 298 I N 4.793 124.996 120.570 -0.612 0.000 2.336 298 I HA 0.452 4.623 4.170 0.001 0.000 0.292 298 I C -0.564 175.190 176.117 -0.605 0.000 0.991 298 I CA -0.325 60.645 61.300 -0.548 0.000 1.227 298 I CB 1.015 38.631 38.000 -0.640 0.000 1.366 298 I HN 0.430 nan 8.210 nan 0.000 0.466 299 F N 4.533 124.416 119.950 -0.112 0.000 2.332 299 F HA 0.343 4.870 4.527 0.001 0.000 0.368 299 F C 0.767 176.541 175.800 -0.043 0.000 1.110 299 F CA -0.602 57.336 58.000 -0.104 0.000 1.087 299 F CB 0.890 39.907 39.000 0.029 0.000 1.235 299 F HN 0.395 nan 8.300 nan 0.000 0.470 300 E N 3.809 123.978 120.200 -0.052 0.000 2.146 300 E HA 0.372 4.723 4.350 0.001 0.000 0.282 300 E C -1.031 175.469 176.600 -0.167 0.000 0.989 300 E CA -0.472 55.952 56.400 0.040 0.000 0.799 300 E CB 1.308 31.038 29.700 0.049 0.000 1.088 300 E HN 0.342 nan 8.360 nan 0.000 0.397 301 F N 1.130 121.207 119.950 0.212 0.000 2.483 301 F HA 0.137 4.665 4.527 0.001 0.000 0.329 301 F C 1.631 177.462 175.800 0.053 0.000 1.064 301 F CA -0.704 57.400 58.000 0.174 0.000 0.986 301 F CB 1.335 40.617 39.000 0.471 0.000 1.218 301 F HN 0.446 nan 8.300 nan 0.000 0.484 302 E N 1.345 121.641 120.200 0.160 0.000 2.012 302 E HA -0.175 4.176 4.350 0.001 0.000 0.197 302 E C -0.288 176.418 176.600 0.178 0.000 1.007 302 E CA 1.829 58.298 56.400 0.115 0.000 0.816 302 E CB -0.004 29.755 29.700 0.098 0.000 0.762 302 E HN 0.679 nan 8.360 nan 0.000 0.451 303 E N -1.816 118.458 120.200 0.125 0.000 2.408 303 E HA 0.348 4.698 4.350 0.001 0.000 0.275 303 E C -1.345 175.120 176.600 -0.226 0.000 0.935 303 E CA -0.929 55.467 56.400 -0.006 0.000 0.775 303 E CB 1.176 30.860 29.700 -0.026 0.000 1.277 303 E HN 0.143 nan 8.360 nan 0.000 0.455 304 C N 2.526 121.559 119.300 -0.444 0.000 2.416 304 C HA 0.434 4.894 4.460 0.001 0.000 0.355 304 C C 0.654 175.127 174.990 -0.862 0.000 1.211 304 C CA -0.445 57.920 59.018 -1.088 0.000 1.699 304 C CB -1.875 25.320 27.740 -0.908 0.000 2.310 304 C HN 0.701 nan 8.230 nan 0.000 0.539 305 C N 5.626 124.420 119.300 -0.844 0.000 2.808 305 C HA 0.752 5.212 4.460 0.001 0.000 0.261 305 C C -0.666 174.247 174.990 -0.128 0.000 1.574 305 C CA -0.855 57.958 59.018 -0.342 0.000 1.611 305 C CB -2.424 25.240 27.740 -0.126 0.000 2.726 305 C HN 0.980 nan 8.230 nan 0.000 0.528 306 W N -0.971 120.298 121.300 -0.051 0.000 3.118 306 W HA 0.695 5.355 4.660 0.001 0.000 0.328 306 W C -0.526 175.971 176.519 -0.037 0.000 1.239 306 W CA -1.303 56.012 57.345 -0.050 0.000 1.176 306 W CB 0.220 29.646 29.460 -0.057 0.000 1.433 306 W HN 0.100 nan 8.180 nan 0.000 0.562 307 S N 1.571 117.432 115.700 0.268 0.000 2.537 307 S HA 0.063 4.534 4.470 0.001 0.000 0.286 307 S C 0.209 174.940 174.600 0.218 0.000 1.299 307 S CA 0.069 58.366 58.200 0.162 0.000 1.067 307 S CB -0.052 63.209 63.200 0.102 0.000 0.864 307 S HN 0.508 nan 8.310 nan 0.000 0.494 308 N N 3.952 122.720 118.700 0.113 0.000 2.714 308 N HA 0.074 4.814 4.740 0.001 0.000 0.298 308 N C 1.011 176.544 175.510 0.039 0.000 1.298 308 N CA -0.097 53.007 53.050 0.090 0.000 1.007 308 N CB 0.535 39.044 38.487 0.036 0.000 1.318 308 N HN 0.786 nan 8.380 nan 0.000 0.516 309 E N 0.003 120.226 120.200 0.037 0.000 2.051 309 E HA -0.072 4.278 4.350 0.001 0.000 0.192 309 E C 0.142 176.738 176.600 -0.006 0.000 0.991 309 E CA 0.745 57.153 56.400 0.013 0.000 0.799 309 E CB 0.346 30.054 29.700 0.014 0.000 0.748 309 E HN 0.123 nan 8.360 nan 0.000 0.449 310 S N -1.922 113.766 115.700 -0.019 0.000 2.627 310 S HA 0.263 4.733 4.470 0.001 0.000 0.283 310 S C 0.050 174.600 174.600 -0.082 0.000 1.127 310 S CA -0.192 57.975 58.200 -0.054 0.000 0.863 310 S CB 1.778 64.931 63.200 -0.079 0.000 1.121 310 S HN 0.156 nan 8.310 nan 0.000 0.479 311 S N 1.100 116.730 115.700 -0.117 0.000 2.559 311 S HA 0.423 4.893 4.470 0.001 0.000 0.226 311 S C -0.288 174.186 174.600 -0.211 0.000 1.000 311 S CA -0.396 57.710 58.200 -0.156 0.000 0.948 311 S CB -0.055 63.063 63.200 -0.136 0.000 0.870 311 S HN 0.446 nan 8.310 nan 0.000 0.497 312 K N 1.823 122.062 120.400 -0.269 0.000 2.450 312 K HA 0.593 4.913 4.320 0.001 0.000 0.257 312 K C -1.231 175.150 176.600 -0.365 0.000 0.953 312 K CA -0.229 55.792 56.287 -0.444 0.000 0.844 312 K CB 1.741 33.666 32.500 -0.958 0.000 1.103 312 K HN 0.337 nan 8.250 nan 0.000 0.429 313 I N 1.884 122.365 120.570 -0.148 0.000 2.569 313 I HA 0.370 4.541 4.170 0.001 0.000 0.290 313 I C -0.661 175.621 176.117 0.275 0.000 1.088 313 I CA -1.273 60.028 61.300 0.000 0.000 1.047 313 I CB 2.356 40.356 38.000 0.000 0.000 1.237 313 I HN 0.010 nan 8.210 nan 0.000 0.421 314 V N 3.566 123.642 119.914 0.269 0.000 2.483 314 V HA 0.407 4.527 4.120 0.001 0.000 0.297 314 V C 0.086 176.423 176.094 0.405 0.000 1.027 314 V CA -0.569 62.016 62.300 0.475 0.000 0.855 314 V CB 2.197 34.354 31.823 0.556 0.000 0.995 314 V HN 0.857 nan 8.190 nan 0.000 0.424 315 T N 4.186 118.995 114.554 0.424 0.000 2.743 315 T HA 0.681 5.031 4.350 0.001 0.000 0.293 315 T C -0.255 174.684 174.700 0.400 0.000 0.945 315 T CA -0.522 61.795 62.100 0.361 0.000 1.030 315 T CB 0.498 69.502 68.868 0.228 0.000 0.912 315 T HN 0.357 nan 8.240 nan 0.000 0.483 316 L N 2.713 124.184 121.223 0.414 0.000 2.436 316 L HA 0.560 4.900 4.340 0.001 0.000 0.265 316 L C 1.143 178.233 176.870 0.366 0.000 1.168 316 L CA -1.032 54.012 54.840 0.340 0.000 0.815 316 L CB 0.278 42.514 42.059 0.296 0.000 1.109 316 L HN 0.869 nan 8.230 nan 0.000 0.462 317 A N 2.059 125.017 122.820 0.230 0.000 2.304 317 A HA 0.297 4.618 4.320 0.001 0.000 0.271 317 A C -0.031 177.647 177.584 0.157 0.000 1.091 317 A CA -0.653 51.519 52.037 0.224 0.000 0.812 317 A CB 0.109 19.158 19.000 0.082 0.000 1.056 317 A HN 0.770 nan 8.150 nan 0.000 0.489 318 N N 0.661 119.440 118.700 0.132 0.000 2.395 318 N HA 0.230 4.970 4.740 0.001 0.000 0.246 318 N C 0.269 175.761 175.510 -0.031 0.000 1.246 318 N CA 0.914 53.969 53.050 0.008 0.000 0.879 318 N CB 0.427 38.895 38.487 -0.033 0.000 1.098 318 N HN 0.785 nan 8.380 nan 0.000 0.444 319 S N -1.380 114.275 115.700 -0.076 0.000 2.704 319 S HA 0.826 5.297 4.470 0.001 0.000 0.296 319 S C -0.417 174.119 174.600 -0.107 0.000 1.138 319 S CA -0.883 57.233 58.200 -0.140 0.000 0.875 319 S CB 1.892 64.927 63.200 -0.274 0.000 1.151 319 S HN 0.613 nan 8.310 nan 0.000 0.500 320 T N -1.304 113.212 114.554 -0.064 0.000 2.916 320 T HA 0.479 4.829 4.350 0.001 0.000 0.305 320 T C -0.039 174.676 174.700 0.026 0.000 1.119 320 T CA -0.892 61.199 62.100 -0.015 0.000 1.008 320 T CB 1.289 70.170 68.868 0.021 0.000 1.129 320 T HN 0.411 nan 8.240 nan 0.000 0.480 321 N N 1.041 119.742 118.700 0.002 0.000 2.381 321 N HA -0.066 4.674 4.740 0.001 0.000 0.182 321 N C 1.280 176.802 175.510 0.020 0.000 1.025 321 N CA 0.907 53.961 53.050 0.007 0.000 0.888 321 N CB -0.139 38.345 38.487 -0.005 0.000 0.965 321 N HN 0.716 nan 8.380 nan 0.000 0.438 322 E N 0.418 120.640 120.200 0.035 0.000 2.077 322 E HA -0.120 4.230 4.350 0.001 0.000 0.193 322 E C 1.561 178.186 176.600 0.040 0.000 0.989 322 E CA 0.528 56.946 56.400 0.029 0.000 0.800 322 E CB -0.442 29.281 29.700 0.038 0.000 0.746 322 E HN 0.372 nan 8.360 nan 0.000 0.452 323 F N 0.878 120.810 119.950 -0.031 0.000 2.095 323 F HA -0.243 4.285 4.527 0.001 0.000 0.298 323 F C 1.929 177.708 175.800 -0.035 0.000 1.104 323 F CA 1.139 59.127 58.000 -0.020 0.000 1.232 323 F CB -0.381 38.614 39.000 -0.009 0.000 0.987 323 F HN -0.139 nan 8.300 nan 0.000 0.475 324 V N 0.858 120.690 119.914 -0.136 0.000 2.282 324 V HA -0.328 3.792 4.120 0.001 0.000 0.249 324 V C 2.815 178.761 176.094 -0.247 0.000 1.057 324 V CA 2.594 64.761 62.300 -0.221 0.000 1.032 324 V CB -1.901 29.885 31.823 -0.061 0.000 0.645 324 V HN 0.583 nan 8.190 nan 0.000 0.447 325 E N -0.017 120.087 120.200 -0.159 0.000 2.051 325 E HA -0.238 4.112 4.350 0.001 0.000 0.192 325 E C 1.983 178.481 176.600 -0.170 0.000 0.991 325 E CA 1.898 58.218 56.400 -0.132 0.000 0.799 325 E CB -0.636 29.016 29.700 -0.080 0.000 0.748 325 E HN 0.656 nan 8.360 nan 0.000 0.449 326 I N 0.355 120.802 120.570 -0.204 0.000 2.226 326 I HA -0.218 3.953 4.170 0.001 0.000 0.245 326 I C 2.598 178.552 176.117 -0.272 0.000 1.100 326 I CA 1.076 62.254 61.300 -0.203 0.000 1.374 326 I CB -0.142 37.755 38.000 -0.171 0.000 1.057 326 I HN 0.208 nan 8.210 nan 0.000 0.413 327 V N 0.724 120.376 119.914 -0.436 0.000 2.427 327 V HA -0.213 3.907 4.120 0.001 0.000 0.248 327 V C 2.611 178.547 176.094 -0.264 0.000 1.051 327 V CA 1.547 63.604 62.300 -0.406 0.000 1.048 327 V CB -0.695 30.792 31.823 -0.560 0.000 0.666 327 V HN 0.357 nan 8.190 nan 0.000 0.456 328 R N 0.784 121.145 120.500 -0.232 0.000 2.096 328 R HA -0.072 4.269 4.340 0.001 0.000 0.235 328 R C 1.833 178.047 176.300 -0.143 0.000 1.127 328 R CA 1.285 57.282 56.100 -0.172 0.000 0.968 328 R CB -0.765 29.450 30.300 -0.143 0.000 0.861 328 R HN 0.577 nan 8.270 nan 0.000 0.440 329 N N 0.380 118.999 118.700 -0.135 0.000 2.392 329 N HA 0.043 4.784 4.740 0.001 0.000 0.177 329 N C 0.376 175.826 175.510 -0.100 0.000 1.066 329 N CA 0.295 53.282 53.050 -0.105 0.000 0.895 329 N CB 0.050 38.484 38.487 -0.088 0.000 0.988 329 N HN 0.050 nan 8.380 nan 0.000 0.457 330 A N 1.149 123.899 122.820 -0.117 0.000 2.531 330 A HA 0.338 4.658 4.320 0.001 0.000 0.236 330 A C 1.404 178.933 177.584 -0.091 0.000 1.062 330 A CA 0.717 52.694 52.037 -0.101 0.000 0.760 330 A CB 0.122 nan 19.000 nan 0.000 0.995 330 A HN 0.429 nan 8.150 nan 0.000 0.501 331 E N 1.773 121.930 120.200 -0.072 0.000 2.190 331 E HA 0.070 4.420 4.350 0.001 0.000 0.191 331 E C 0.577 177.139 176.600 -0.063 0.000 0.978 331 E CA 1.242 57.604 56.400 -0.064 0.000 0.839 331 E CB -0.461 29.209 29.700 -0.050 0.000 0.787 331 E HN 0.991 nan 8.360 nan 0.000 0.473 332 N N -4.267 114.397 118.700 -0.061 0.000 3.308 332 N HA 0.414 5.154 4.740 0.001 0.000 0.276 332 N C 1.280 176.756 175.510 -0.057 0.000 1.533 332 N CA -0.016 53.001 53.050 -0.056 0.000 0.878 332 N CB 0.883 39.346 38.487 -0.041 0.000 1.566 332 N HN 0.320 nan 8.380 nan 0.000 0.546 333 L N -0.094 121.099 121.223 -0.051 0.000 2.079 333 L HA -0.153 4.187 4.340 0.001 0.000 0.210 333 L C 1.965 178.814 176.870 -0.036 0.000 1.081 333 L CA 2.867 57.676 54.840 -0.052 0.000 0.752 333 L CB -1.909 40.124 42.059 -0.042 0.000 0.896 333 L HN 0.688 nan 8.230 nan 0.000 0.433 334 D N -0.712 119.673 120.400 -0.026 0.000 2.087 334 D HA -0.230 4.410 4.640 0.001 0.000 0.192 334 D C 1.988 178.278 176.300 -0.018 0.000 0.993 334 D CA 1.506 55.496 54.000 -0.016 0.000 0.828 334 D CB -0.360 40.432 40.800 -0.014 0.000 0.968 334 D HN 0.813 nan 8.370 nan 0.000 0.448 335 E N -0.108 120.076 120.200 -0.027 0.000 2.110 335 E HA -0.180 4.170 4.350 0.001 0.000 0.193 335 E C 1.959 178.541 176.600 -0.030 0.000 0.988 335 E CA 0.463 56.846 56.400 -0.028 0.000 0.804 335 E CB -0.070 29.608 29.700 -0.038 0.000 0.745 335 E HN 0.140 nan 8.360 nan 0.000 0.458 336 L N 1.718 122.917 121.223 -0.040 0.000 2.056 336 L HA -0.119 4.222 4.340 0.001 0.000 0.207 336 L C 2.208 179.079 176.870 0.001 0.000 1.078 336 L CA 2.818 57.634 54.840 -0.041 0.000 0.749 336 L CB -1.092 40.925 42.059 -0.072 0.000 0.901 336 L HN 0.310 nan 8.230 nan 0.000 0.433 337 D N -1.426 118.979 120.400 0.009 0.000 2.117 337 D HA -0.164 4.476 4.640 0.001 0.000 0.197 337 D C 2.154 178.476 176.300 0.037 0.000 0.987 337 D CA 1.928 55.955 54.000 0.045 0.000 0.829 337 D CB -0.910 39.912 40.800 0.036 0.000 0.961 337 D HN 0.690 nan 8.370 nan 0.000 0.460 338 S N -0.113 115.595 115.700 0.015 0.000 2.348 338 S HA -0.064 4.406 4.470 0.001 0.000 0.221 338 S C 2.238 176.844 174.600 0.011 0.000 1.033 338 S CA 1.967 60.173 58.200 0.009 0.000 1.010 338 S CB -0.484 nan 63.200 nan 0.000 0.891 338 S HN 0.500 nan 8.310 nan 0.000 0.442 339 M N 0.399 120.002 119.600 0.004 0.000 2.213 339 M HA 0.004 4.485 4.480 0.001 0.000 0.263 339 M C 2.111 178.428 176.300 0.027 0.000 1.062 339 M CA 0.883 56.184 55.300 0.003 0.000 1.105 339 M CB -0.428 32.161 32.600 -0.018 0.000 1.385 339 M HN 0.369 nan 8.290 nan 0.000 0.417 340 L N 0.577 121.832 121.223 0.053 0.000 2.131 340 L HA -0.140 4.200 4.340 0.001 0.000 0.210 340 L C 1.859 178.770 176.870 0.070 0.000 1.092 340 L CA 0.899 55.800 54.840 0.101 0.000 0.759 340 L CB -0.905 41.257 42.059 0.172 0.000 0.903 340 L HN 0.340 nan 8.230 nan 0.000 0.435 341 E N 1.246 121.472 120.200 0.044 0.000 2.053 341 E HA 0.331 4.681 4.350 0.001 0.000 0.297 341 E C 0.559 177.171 176.600 0.019 0.000 1.173 341 E CA 0.303 56.717 56.400 0.023 0.000 1.219 341 E CB -1.103 28.605 29.700 0.014 0.000 1.103 341 E HN 0.454 nan 8.360 nan 0.000 0.476 342 R N 0.509 121.024 120.500 0.025 0.000 2.664 342 R HA 0.648 4.988 4.340 0.001 0.000 0.281 342 R C 0.337 176.646 176.300 0.016 0.000 1.383 342 R CA 0.285 56.398 56.100 0.021 0.000 1.563 342 R CB -0.557 29.761 30.300 0.029 0.000 1.131 342 R HN 0.895 nan 8.270 nan 0.000 0.599 350 S N 0.822 116.520 115.700 -0.002 0.000 2.652 350 S HA 0.745 5.215 4.470 0.001 0.000 0.270 350 S C 0.264 174.860 174.600 -0.007 0.000 1.243 350 S CA -0.365 57.831 58.200 -0.005 0.000 0.999 350 S CB 0.691 nan 63.200 nan 0.000 0.973 350 S HN 0.678 nan 8.310 nan 0.000 0.544 351 V N 2.838 122.744 119.914 -0.014 0.000 2.461 351 V HA 0.533 4.654 4.120 0.001 0.000 0.275 351 V C 0.879 176.990 176.094 0.029 0.000 1.047 351 V CA 0.140 62.444 62.300 0.007 0.000 0.955 351 V CB 0.623 32.432 31.823 -0.022 0.000 0.988 351 V HN 1.069 nan 8.190 nan 0.000 0.471 352 T N 0.832 115.365 114.554 -0.034 0.000 2.910 352 T HA 0.199 4.549 4.350 0.001 0.000 0.287 352 T C 1.244 175.699 174.700 -0.410 0.000 1.050 352 T CA -0.068 61.849 62.100 -0.305 0.000 1.011 352 T CB 1.274 70.033 68.868 -0.183 0.000 1.195 352 T HN 0.797 nan 8.240 nan 0.000 0.540 353 C N -1.837 116.893 119.300 -0.950 0.000 2.460 353 C HA 0.177 4.638 4.460 0.001 0.000 0.291 353 C C 1.404 176.125 174.990 -0.448 0.000 1.493 353 C CA -0.536 58.065 59.018 -0.695 0.000 1.748 353 C CB -2.308 24.894 27.740 -0.896 0.000 1.656 353 C HN 0.805 nan 8.230 nan 0.000 0.576 354 W N 0.499 121.730 121.300 -0.114 0.000 3.008 354 W HA 0.283 4.943 4.660 0.001 0.000 0.355 354 W C 2.094 178.605 176.519 -0.014 0.000 1.095 354 W CA -0.179 57.146 57.345 -0.034 0.000 1.738 354 W CB -0.087 29.340 29.460 -0.055 0.000 1.091 354 W HN 0.059 nan 8.180 nan 0.000 0.574 355 S N 0.753 116.545 115.700 0.154 0.000 2.561 355 S HA -0.028 4.442 4.470 0.001 0.000 0.225 355 S C 0.641 175.295 174.600 0.091 0.000 0.977 355 S CA 0.572 58.838 58.200 0.110 0.000 0.926 355 S CB -0.234 63.011 63.200 0.075 0.000 0.769 355 S HN 0.254 nan 8.310 nan 0.000 0.533 356 Q N -0.076 119.788 119.800 0.106 0.000 2.522 356 Q HA 0.386 4.726 4.340 0.001 0.000 0.285 356 Q C -3.591 172.475 176.000 0.110 0.000 0.982 356 Q CA -2.178 53.666 55.803 0.068 0.000 0.805 356 Q CB 0.727 29.509 28.738 0.075 0.000 1.457 356 Q HN -0.081 nan 8.270 nan 0.000 0.394 357 P HA 0.373 nan 4.420 nan 0.000 0.272 357 P C -0.646 176.785 177.300 0.218 0.000 1.230 357 P CA -0.244 62.960 63.100 0.173 0.000 0.788 357 P CB 0.896 32.685 31.700 0.149 0.000 0.949 358 L N 1.640 123.038 121.223 0.292 0.000 2.422 358 L HA 0.486 4.827 4.340 0.001 0.000 0.264 358 L C -0.558 176.535 176.870 0.370 0.000 0.984 358 L CA -0.937 54.058 54.840 0.257 0.000 0.819 358 L CB 2.082 44.288 42.059 0.245 0.000 1.330 358 L HN 0.284 nan 8.230 nan 0.000 0.410 359 F N 3.223 123.189 119.950 0.026 0.000 2.402 359 F HA 0.619 5.147 4.527 0.001 0.000 0.355 359 F C -1.249 174.527 175.800 -0.040 0.000 1.123 359 F CA -1.088 56.992 58.000 0.133 0.000 1.021 359 F CB 0.753 39.867 39.000 0.190 0.000 1.160 359 F HN 0.064 nan 8.300 nan 0.000 0.451 360 F N 5.275 125.095 119.950 -0.216 0.000 2.469 360 F HA 0.583 5.111 4.527 0.001 0.000 0.332 360 F C -0.409 175.103 175.800 -0.479 0.000 1.103 360 F CA -1.226 56.626 58.000 -0.248 0.000 0.979 360 F CB 1.712 40.733 39.000 0.035 0.000 1.137 360 F HN 0.077 nan 8.300 nan 0.000 0.463 361 V N 3.074 122.844 119.914 -0.240 0.000 2.328 361 V HA 0.184 4.304 4.120 0.001 0.000 0.278 361 V C 0.102 176.021 176.094 -0.292 0.000 1.021 361 V CA -0.976 61.147 62.300 -0.294 0.000 0.838 361 V CB 1.193 32.859 31.823 -0.261 0.000 0.999 361 V HN 0.800 nan 8.190 nan 0.000 0.447 362 N N 5.059 123.534 118.700 -0.375 0.000 2.605 362 N HA 0.149 4.890 4.740 0.001 0.000 0.258 362 N C 1.043 176.314 175.510 -0.398 0.000 1.156 362 N CA -0.390 52.266 53.050 -0.656 0.000 1.008 362 N CB 0.492 38.716 38.487 -0.438 0.000 1.354 362 N HN 0.692 nan 8.380 nan 0.000 0.509 363 L N 1.856 122.868 121.223 -0.352 0.000 2.261 363 L HA -0.180 4.160 4.340 0.001 0.000 0.216 363 L C 2.559 179.375 176.870 -0.091 0.000 1.114 363 L CA 0.534 55.260 54.840 -0.191 0.000 0.777 363 L CB -0.470 41.559 42.059 -0.051 0.000 0.910 363 L HN 0.531 nan 8.230 nan 0.000 0.440 364 S N 0.410 116.089 115.700 -0.036 0.000 2.359 364 S HA -0.309 4.161 4.470 0.001 0.000 0.223 364 S C 2.119 176.712 174.600 -0.012 0.000 1.039 364 S CA 2.180 60.404 58.200 0.041 0.000 1.042 364 S CB -0.082 63.235 63.200 0.195 0.000 0.915 364 S HN 0.448 nan 8.310 nan 0.000 0.439 365 K N 0.235 120.620 120.400 -0.025 0.000 2.057 365 K HA -0.052 4.268 4.320 0.001 0.000 0.206 365 K C 2.200 178.775 176.600 -0.042 0.000 1.050 365 K CA 1.737 58.006 56.287 -0.031 0.000 0.935 365 K CB -0.345 32.138 32.500 -0.029 0.000 0.715 365 K HN 0.548 nan 8.250 nan 0.000 0.439 366 S N -0.912 114.739 115.700 -0.081 0.000 2.446 366 S HA -0.059 4.411 4.470 0.001 0.000 0.225 366 S C 1.702 176.273 174.600 -0.048 0.000 1.016 366 S CA 1.020 59.175 58.200 -0.075 0.000 0.943 366 S CB 0.161 63.263 63.200 -0.162 0.000 0.786 366 S HN 0.527 nan 8.310 nan 0.000 0.508 367 T N -4.366 110.157 114.554 -0.052 0.000 2.986 367 T HA 0.571 4.922 4.350 0.001 0.000 0.264 367 T C 1.534 176.231 174.700 -0.004 0.000 0.964 367 T CA 0.691 62.785 62.100 -0.011 0.000 0.895 367 T CB 0.307 69.180 68.868 0.007 0.000 1.163 367 T HN 1.041 nan 8.240 nan 0.000 0.517 368 G N 1.327 110.121 108.800 -0.011 0.000 2.253 368 G HA2 -0.252 3.708 3.960 0.001 0.000 0.251 368 G HA3 -0.252 3.708 3.960 0.001 0.000 0.251 368 G C 0.086 174.993 174.900 0.011 0.000 0.998 368 G CA -0.052 45.042 45.100 -0.010 0.000 0.621 368 G HN 0.798 nan 8.290 nan 0.000 0.524 369 V N 1.768 121.706 119.914 0.040 0.000 2.521 369 V HA 0.502 4.623 4.120 0.001 0.000 0.286 369 V C 1.401 177.598 176.094 0.172 0.000 1.034 369 V CA 0.468 62.828 62.300 0.100 0.000 1.045 369 V CB 1.317 33.209 31.823 0.115 0.000 0.974 369 V HN 1.162 nan 8.190 nan 0.000 0.480 370 A N 4.539 127.488 122.820 0.214 0.000 2.900 370 A HA 0.446 4.766 4.320 0.001 0.000 0.246 370 A C 0.697 178.664 177.584 0.638 0.000 1.725 370 A CA 0.095 52.339 52.037 0.346 0.000 1.400 370 A CB -0.600 18.520 19.000 0.200 0.000 0.973 370 A HN 0.716 nan 8.150 nan 0.000 0.635 371 S N -0.992 115.017 115.700 0.515 0.000 2.627 371 S HA 0.791 5.262 4.470 0.001 0.000 0.283 371 S C -1.107 173.666 174.600 0.290 0.000 1.127 371 S CA -0.405 58.118 58.200 0.539 0.000 0.863 371 S CB 1.145 64.618 63.200 0.456 0.000 1.121 371 S HN 0.319 nan 8.310 nan 0.000 0.479 372 F N 1.666 121.798 119.950 0.304 0.000 2.467 372 F HA 0.519 5.047 4.527 0.001 0.000 0.336 372 F C 0.051 175.932 175.800 0.135 0.000 1.123 372 F CA -0.559 57.569 58.000 0.213 0.000 0.964 372 F CB 1.586 40.761 39.000 0.291 0.000 1.136 372 F HN 0.324 nan 8.300 nan 0.000 0.447 373 M N 6.466 126.149 119.600 0.138 0.000 2.088 373 M HA 0.448 4.928 4.480 0.001 0.000 0.346 373 M C -1.320 174.946 176.300 -0.056 0.000 1.111 373 M CA -0.250 55.053 55.300 0.004 0.000 1.017 373 M CB 0.850 33.440 32.600 -0.017 0.000 1.568 373 M HN 0.707 nan 8.290 nan 0.000 0.445 374 M N 5.166 124.684 119.600 -0.137 0.000 2.294 374 M HA 0.468 4.948 4.480 0.001 0.000 0.335 374 M C -2.008 174.165 176.300 -0.213 0.000 1.079 374 M CA -0.858 54.224 55.300 -0.363 0.000 0.982 374 M CB 1.407 33.642 32.600 -0.608 0.000 1.651 374 M HN 0.634 nan 8.290 nan 0.000 0.437 375 L N 5.806 126.967 121.223 -0.104 0.000 2.334 375 L HA 0.669 5.009 4.340 0.001 0.000 0.275 375 L C -0.172 176.748 176.870 0.084 0.000 1.036 375 L CA -0.144 54.750 54.840 0.091 0.000 0.807 375 L CB 1.877 44.130 42.059 0.323 0.000 1.231 375 L HN 0.809 nan 8.230 nan 0.000 0.438 376 M N 1.260 120.923 119.600 0.105 0.000 2.667 376 M HA 0.726 5.207 4.480 0.001 0.000 0.286 376 M C -1.319 175.054 176.300 0.123 0.000 1.270 376 M CA -0.846 54.527 55.300 0.122 0.000 0.826 376 M CB 2.415 35.089 32.600 0.124 0.000 1.743 376 M HN 0.524 nan 8.290 nan 0.000 0.460 377 Q N 1.558 121.431 119.800 0.122 0.000 2.495 377 Q HA 0.840 5.180 4.340 0.001 0.000 0.283 377 Q C -1.365 174.692 176.000 0.096 0.000 1.097 377 Q CA -0.795 55.072 55.803 0.107 0.000 0.836 377 Q CB 1.843 30.654 28.738 0.122 0.000 1.426 377 Q HN 0.938 nan 8.270 nan 0.000 0.459 378 A N 1.645 124.518 122.820 0.088 0.000 2.371 378 A HA 0.435 4.755 4.320 0.001 0.000 0.257 378 A C -1.675 175.956 177.584 0.078 0.000 1.089 378 A CA -1.049 51.038 52.037 0.083 0.000 0.794 378 A CB 0.007 19.061 19.000 0.090 0.000 1.029 378 A HN 0.731 nan 8.150 nan 0.000 0.488 379 P HA -0.045 nan 4.420 nan 0.000 0.240 379 P C 1.346 178.691 177.300 0.074 0.000 1.190 379 P CA 0.181 63.318 63.100 0.063 0.000 0.781 379 P CB 0.134 31.860 31.700 0.043 0.000 0.931 380 L N 1.112 122.380 121.223 0.075 0.000 2.043 380 L HA -0.140 4.200 4.340 0.001 0.000 0.212 380 L C 2.109 179.030 176.870 0.086 0.000 1.075 380 L CA 2.274 57.160 54.840 0.076 0.000 0.752 380 L CB -1.811 40.307 42.059 0.099 0.000 0.891 380 L HN -0.076 nan 8.230 nan 0.000 0.432 381 T N -0.027 114.580 114.554 0.088 0.000 2.759 381 T HA -0.171 4.180 4.350 0.001 0.000 0.269 381 T C 1.578 176.317 174.700 0.065 0.000 1.042 381 T CA 1.811 63.959 62.100 0.081 0.000 1.140 381 T CB -0.471 68.450 68.868 0.088 0.000 0.864 381 T HN 0.491 nan 8.240 nan 0.000 0.455 382 N N 0.503 119.247 118.700 0.074 0.000 2.142 382 N HA -0.104 4.637 4.740 0.001 0.000 0.186 382 N C 1.741 177.273 175.510 0.036 0.000 1.023 382 N CA 0.943 54.028 53.050 0.058 0.000 0.852 382 N CB -0.417 38.111 38.487 0.069 0.000 0.998 382 N HN 0.464 nan 8.380 nan 0.000 0.424 383 H N 0.759 119.810 119.070 -0.033 0.000 2.389 383 H HA 0.037 4.593 4.556 0.001 0.000 0.299 383 H C 1.566 176.827 175.328 -0.111 0.000 1.081 383 H CA 0.999 57.006 56.048 -0.068 0.000 1.345 383 H CB 0.085 29.798 29.762 -0.082 0.000 1.393 383 H HN 0.074 nan 8.280 nan 0.000 0.520 384 I N 1.491 122.039 120.570 -0.038 0.000 2.252 384 I HA -0.182 3.989 4.170 0.001 0.000 0.245 384 I C 2.250 178.302 176.117 -0.110 0.000 1.102 384 I CA 1.024 62.264 61.300 -0.101 0.000 1.385 384 I CB -0.975 37.022 38.000 -0.005 0.000 1.064 384 I HN 0.338 nan 8.210 nan 0.000 0.414 385 E N 0.746 120.904 120.200 -0.071 0.000 2.204 385 E HA -0.155 4.195 4.350 0.001 0.000 0.194 385 E C 2.225 178.763 176.600 -0.103 0.000 0.989 385 E CA 1.455 57.809 56.400 -0.076 0.000 0.824 385 E CB -0.048 29.627 29.700 -0.043 0.000 0.756 385 E HN 0.525 nan 8.360 nan 0.000 0.477 386 S N 1.677 117.299 115.700 -0.131 0.000 2.399 386 S HA -0.131 4.339 4.470 0.001 0.000 0.231 386 S C 1.900 176.405 174.600 -0.159 0.000 1.022 386 S CA 0.968 59.083 58.200 -0.141 0.000 0.983 386 S CB -0.537 62.564 63.200 -0.165 0.000 0.803 386 S HN 0.443 nan 8.310 nan 0.000 0.480 387 I N -0.295 120.150 120.570 -0.208 0.000 3.856 387 I HA 0.414 4.585 4.170 0.001 0.000 0.333 387 I C 1.447 177.499 176.117 -0.108 0.000 1.525 387 I CA -0.719 60.482 61.300 -0.165 0.000 1.173 387 I CB 0.011 37.881 38.000 -0.217 0.000 1.175 387 I HN 0.153 nan 8.210 nan 0.000 0.424 388 R N -0.026 120.414 120.500 -0.099 0.000 2.339 388 R HA 0.012 4.352 4.340 0.001 0.000 0.199 388 R C 1.088 177.350 176.300 -0.063 0.000 1.018 388 R CA 0.843 56.895 56.100 -0.079 0.000 1.036 388 R CB -0.205 30.038 30.300 -0.094 0.000 0.899 388 R HN 0.340 nan 8.270 nan 0.000 0.473 389 E N 0.825 120.991 120.200 -0.055 0.000 2.415 389 E HA -0.003 4.348 4.350 0.001 0.000 0.197 389 E C -0.391 176.195 176.600 -0.023 0.000 1.007 389 E CA 0.192 56.567 56.400 -0.041 0.000 0.890 389 E CB 0.285 29.960 29.700 -0.041 0.000 0.891 389 E HN 0.215 nan 8.360 nan 0.000 0.496 390 D N 0.592 120.982 120.400 -0.016 0.000 2.522 390 D HA 0.016 4.657 4.640 0.001 0.000 0.218 390 D C 0.517 176.839 176.300 0.036 0.000 1.149 390 D CA -0.030 53.974 54.000 0.008 0.000 0.981 390 D CB 0.292 41.096 40.800 0.006 0.000 1.041 390 D HN -0.141 nan 8.370 nan 0.000 0.518 391 K N 1.766 122.186 120.400 0.034 0.000 2.152 391 K HA -0.145 4.176 4.320 0.001 0.000 0.206 391 K C 1.440 178.111 176.600 0.118 0.000 1.048 391 K CA 0.903 57.226 56.287 0.060 0.000 0.933 391 K CB 0.202 32.715 32.500 0.022 0.000 0.721 391 K HN 0.571 nan 8.250 nan 0.000 0.447 392 E N 0.284 120.544 120.200 0.101 0.000 2.072 392 E HA -0.136 4.214 4.350 0.001 0.000 0.191 392 E C 2.217 178.933 176.600 0.194 0.000 0.985 392 E CA 0.652 57.137 56.400 0.141 0.000 0.801 392 E CB -0.085 29.671 29.700 0.093 0.000 0.750 392 E HN 0.217 nan 8.360 nan 0.000 0.452 393 R N 0.914 121.500 120.500 0.143 0.000 2.115 393 R HA -0.077 4.264 4.340 0.001 0.000 0.230 393 R C 2.255 178.673 176.300 0.196 0.000 1.111 393 R CA 0.666 56.853 56.100 0.144 0.000 0.976 393 R CB -0.032 30.324 30.300 0.093 0.000 0.870 393 R HN 0.151 nan 8.270 nan 0.000 0.445 394 L N -0.324 121.030 121.223 0.218 0.000 2.093 394 L HA -0.142 4.198 4.340 0.001 0.000 0.208 394 L C 2.224 179.377 176.870 0.471 0.000 1.085 394 L CA 0.940 55.974 54.840 0.323 0.000 0.755 394 L CB -0.456 41.772 42.059 0.282 0.000 0.904 394 L HN 0.200 nan 8.230 nan 0.000 0.435 395 F N 0.632 120.736 119.950 0.257 0.000 2.113 395 F HA -0.191 4.336 4.527 0.001 0.000 0.297 395 F C 2.624 178.534 175.800 0.182 0.000 1.103 395 F CA 1.580 59.724 58.000 0.240 0.000 1.248 395 F CB -0.291 38.792 39.000 0.138 0.000 0.999 395 F HN -0.095 nan 8.300 nan 0.000 0.475 396 S N 0.101 115.856 115.700 0.092 0.000 2.419 396 S HA -0.193 4.278 4.470 0.001 0.000 0.235 396 S C 1.822 176.351 174.600 -0.118 0.000 1.019 396 S CA 1.285 59.452 58.200 -0.055 0.000 0.982 396 S CB -0.767 62.472 63.200 0.065 0.000 0.789 396 S HN 0.496 nan 8.310 nan 0.000 0.490 397 F N 0.993 120.841 119.950 -0.169 0.000 2.098 397 F HA 0.072 4.599 4.527 0.001 0.000 0.294 397 F C 1.249 176.759 175.800 -0.484 0.000 1.107 397 F CA 1.260 59.051 58.000 -0.347 0.000 1.234 397 F CB -0.147 38.565 39.000 -0.480 0.000 1.002 397 F HN 0.144 nan 8.300 nan 0.000 0.472 398 F N 0.122 120.124 119.950 0.087 0.000 2.773 398 F HA 0.094 4.621 4.527 0.001 0.000 0.304 398 F C 2.166 177.763 175.800 -0.338 0.000 1.129 398 F CA 0.167 58.130 58.000 -0.062 0.000 1.378 398 F CB -0.637 38.485 39.000 0.204 0.000 1.095 398 F HN 0.107 nan 8.300 nan 0.000 0.565 399 Q N 1.942 121.519 119.800 -0.372 0.000 1.990 399 Q HA -0.126 4.214 4.340 0.001 0.000 0.200 399 Q C -0.579 175.235 176.000 -0.311 0.000 0.980 399 Q CA 1.644 57.126 55.803 -0.535 0.000 0.832 399 Q CB -1.019 27.247 28.738 -0.787 0.000 0.897 399 Q HN 0.136 nan 8.270 nan 0.000 0.427 400 P HA -0.173 nan 4.420 nan 0.000 0.215 400 P C 1.547 178.790 177.300 -0.096 0.000 1.157 400 P CA 1.220 64.270 63.100 -0.084 0.000 0.874 400 P CB -0.132 31.591 31.700 0.039 0.000 0.790 401 V N -0.116 119.577 119.914 -0.368 0.000 2.358 401 V HA -0.202 3.919 4.120 0.001 0.000 0.246 401 V C 2.817 178.668 176.094 -0.405 0.000 1.047 401 V CA 1.437 63.420 62.300 -0.529 0.000 1.035 401 V CB -1.150 30.265 31.823 -0.681 0.000 0.658 401 V HN 0.001 nan 8.190 nan 0.000 0.452 402 L N -0.059 120.929 121.223 -0.392 0.000 2.012 402 L HA -0.212 4.128 4.340 0.001 0.000 0.210 402 L C 2.505 179.153 176.870 -0.370 0.000 1.073 402 L CA 1.682 56.229 54.840 -0.489 0.000 0.748 402 L CB -0.736 41.081 42.059 -0.404 0.000 0.891 402 L HN 0.409 nan 8.230 nan 0.000 0.431 403 N N 0.236 118.806 118.700 -0.217 0.000 2.013 403 N HA -0.242 4.499 4.740 0.001 0.000 0.195 403 N C 1.784 177.221 175.510 -0.121 0.000 1.051 403 N CA 1.287 54.261 53.050 -0.127 0.000 0.851 403 N CB -0.387 38.066 38.487 -0.057 0.000 1.044 403 N HN 0.069 nan 8.380 nan 0.000 0.422 404 K N 1.273 121.638 120.400 -0.058 0.000 2.144 404 K HA -0.069 4.251 4.320 0.001 0.000 0.209 404 K C 1.951 178.497 176.600 -0.091 0.000 1.047 404 K CA 0.979 57.268 56.287 0.002 0.000 0.927 404 K CB -0.509 32.110 32.500 0.198 0.000 0.716 404 K HN 0.259 nan 8.250 nan 0.000 0.454 405 I N -0.223 120.204 120.570 -0.239 0.000 2.179 405 I HA -0.310 3.861 4.170 0.001 0.000 0.242 405 I C 2.111 178.079 176.117 -0.247 0.000 1.088 405 I CA 1.094 62.200 61.300 -0.323 0.000 1.357 405 I CB -0.319 37.299 38.000 -0.636 0.000 1.051 405 I HN 0.189 nan 8.210 nan 0.000 0.409 406 M N 0.544 119.987 119.600 -0.263 0.000 2.082 406 M HA -0.267 4.214 4.480 0.001 0.000 0.258 406 M C 2.275 178.539 176.300 -0.060 0.000 1.069 406 M CA 1.807 57.017 55.300 -0.150 0.000 1.102 406 M CB -1.341 31.184 32.600 -0.124 0.000 1.336 406 M HN 0.179 nan 8.290 nan 0.000 0.404 407 K N -0.021 120.346 120.400 -0.055 0.000 1.991 407 K HA -0.173 4.148 4.320 0.001 0.000 0.212 407 K C 2.107 178.698 176.600 -0.014 0.000 1.049 407 K CA 2.165 58.439 56.287 -0.021 0.000 0.932 407 K CB -0.153 32.339 32.500 -0.014 0.000 0.717 407 K HN 0.363 nan 8.250 nan 0.000 0.441 408 C N 0.679 119.964 119.300 -0.025 0.000 2.410 408 C HA -0.049 4.411 4.460 0.001 0.000 0.281 408 C C 2.136 177.123 174.990 -0.005 0.000 1.318 408 C CA 0.465 59.475 59.018 -0.012 0.000 1.776 408 C CB -0.733 26.998 27.740 -0.016 0.000 1.942 408 C HN 0.483 nan 8.230 nan 0.000 0.508 409 L N 0.221 121.436 121.223 -0.013 0.000 2.611 409 L HA 0.122 4.463 4.340 0.001 0.000 0.229 409 L C -0.404 176.504 176.870 0.063 0.000 1.137 409 L CA 0.412 55.270 54.840 0.029 0.000 0.901 409 L CB -0.376 41.698 42.059 0.025 0.000 1.098 409 L HN 0.336 nan 8.230 nan 0.000 0.456 410 D N 0.796 121.218 120.400 0.037 0.000 3.515 410 D HA -0.117 4.523 4.640 0.001 0.000 0.247 410 D C -0.360 175.971 176.300 0.053 0.000 1.084 410 D CA 0.594 54.618 54.000 0.039 0.000 1.030 410 D CB -0.840 39.984 40.800 0.039 0.000 0.946 410 D HN 0.281 nan 8.370 nan 0.000 0.420 411 S N -0.106 115.619 115.700 0.040 0.000 2.656 411 S HA 0.361 4.831 4.470 0.001 0.000 0.265 411 S C -0.555 174.062 174.600 0.030 0.000 1.132 411 S CA -1.058 57.171 58.200 0.048 0.000 0.819 411 S CB 1.914 65.166 63.200 0.087 0.000 1.119 411 S HN 0.263 nan 8.310 nan 0.000 0.476 412 E N 0.495 120.717 120.200 0.037 0.000 2.284 412 E HA 0.452 4.803 4.350 0.001 0.000 0.255 412 E C -1.157 175.464 176.600 0.036 0.000 1.052 412 E CA -1.012 55.408 56.400 0.033 0.000 0.904 412 E CB 0.373 30.097 29.700 0.040 0.000 1.217 412 E HN 0.418 nan 8.360 nan 0.000 0.438 413 D N 0.461 120.885 120.400 0.040 0.000 2.406 413 D HA 0.015 4.655 4.640 0.001 0.000 0.234 413 D C -0.413 175.947 176.300 0.099 0.000 1.196 413 D CA 0.126 54.157 54.000 0.052 0.000 0.881 413 D CB 0.496 41.331 40.800 0.059 0.000 1.205 413 D HN -0.011 nan 8.370 nan 0.000 0.453 414 V N 1.869 121.871 119.914 0.145 0.000 2.649 414 V HA 0.229 4.350 4.120 0.001 0.000 0.292 414 V C 0.625 176.890 176.094 0.284 0.000 1.055 414 V CA -0.427 62.030 62.300 0.261 0.000 1.023 414 V CB 0.950 33.000 31.823 0.378 0.000 0.992 414 V HN 0.291 nan 8.190 nan 0.000 0.480 415 I N 2.980 123.675 120.570 0.208 0.000 2.377 415 I HA 0.283 4.454 4.170 0.001 0.000 0.293 415 I C -0.080 175.991 176.117 -0.076 0.000 0.987 415 I CA -0.525 60.831 61.300 0.093 0.000 1.185 415 I CB 1.559 39.600 38.000 0.068 0.000 1.341 415 I HN 0.519 nan 8.210 nan 0.000 0.455 416 D N 5.845 126.082 120.400 -0.272 0.000 2.383 416 D HA 0.147 4.787 4.640 0.001 0.000 0.245 416 D C 0.520 176.652 176.300 -0.280 0.000 1.263 416 D CA 0.074 53.734 54.000 -0.566 0.000 0.936 416 D CB 0.906 41.258 40.800 -0.747 0.000 1.053 416 D HN 0.743 nan 8.370 nan 0.000 0.507 417 G N 3.693 112.355 108.800 -0.230 0.000 4.644 417 G HA2 0.134 4.094 3.960 0.001 0.000 0.307 417 G HA3 0.134 4.094 3.960 0.001 0.000 0.307 417 G C 0.821 175.637 174.900 -0.140 0.000 1.331 417 G CA -0.411 44.607 45.100 -0.137 0.000 1.059 417 G HN 0.482 nan 8.290 nan 0.000 0.590 418 M N 0.541 120.046 119.600 -0.158 0.000 2.729 418 M HA 0.344 4.825 4.480 0.001 0.000 0.229 418 M C 0.608 176.876 176.300 -0.054 0.000 1.280 418 M CA 0.464 55.695 55.300 -0.114 0.000 1.012 418 M CB -0.089 32.434 32.600 -0.127 0.000 1.603 418 M HN 0.158 nan 8.290 nan 0.000 0.452 428 N N 0.015 118.725 118.700 0.018 0.000 2.275 428 N HA 0.527 5.268 4.740 0.001 0.000 0.236 428 N C -0.012 175.518 175.510 0.033 0.000 1.154 428 N CA 1.210 54.269 53.050 0.015 0.000 0.866 428 N CB 0.309 nan 38.487 nan 0.000 1.093 428 N HN 1.158 nan 8.380 nan 0.000 0.515 429 K N 2.005 122.434 120.400 0.047 0.000 2.274 429 K HA 0.678 4.998 4.320 0.001 0.000 0.262 429 K C -3.044 173.621 176.600 0.108 0.000 0.961 429 K CA -1.935 54.395 56.287 0.073 0.000 0.833 429 K CB 0.723 33.264 32.500 0.069 0.000 1.102 429 K HN 0.302 nan 8.250 nan 0.000 0.436 430 P HA 0.197 nan 4.420 nan 0.000 0.271 430 P C -0.696 176.811 177.300 0.346 0.000 1.226 430 P CA -0.145 63.108 63.100 0.254 0.000 0.765 430 P CB 0.858 32.681 31.700 0.205 0.000 0.835 431 V N 5.650 125.786 119.914 0.370 0.000 2.313 431 V HA 0.118 4.239 4.120 0.001 0.000 0.278 431 V C 0.530 176.723 176.094 0.166 0.000 1.017 431 V CA -0.919 61.520 62.300 0.231 0.000 0.823 431 V CB 1.182 33.065 31.823 0.100 0.000 1.010 431 V HN 0.449 nan 8.190 nan 0.000 0.443 432 L N 6.788 128.001 121.223 -0.017 0.000 2.410 432 L HA 0.358 4.699 4.340 0.001 0.000 0.273 432 L C 1.215 177.883 176.870 -0.337 0.000 1.144 432 L CA 0.879 55.465 54.840 -0.424 0.000 0.863 432 L CB 0.371 42.198 42.059 -0.387 0.000 1.140 432 L HN 0.500 nan 8.230 nan 0.000 0.463 433 R N 3.084 123.335 120.500 -0.416 0.000 2.119 433 R HA 0.270 4.610 4.340 0.001 0.000 0.202 433 R C 0.160 176.302 176.300 -0.263 0.000 1.114 433 R CA 0.407 56.262 56.100 -0.408 0.000 1.089 433 R CB -0.250 29.505 30.300 -0.908 0.000 1.000 433 R HN 0.779 nan 8.270 nan 0.000 0.487 434 N N -0.003 118.550 118.700 -0.244 0.000 2.262 434 N HA 0.437 5.178 4.740 0.001 0.000 0.295 434 N C -1.380 174.038 175.510 -0.153 0.000 1.161 434 N CA -0.453 52.522 53.050 -0.126 0.000 0.767 434 N CB 2.053 40.529 38.487 -0.018 0.000 1.499 434 N HN -0.131 nan 8.380 nan 0.000 0.476 435 I N 3.556 124.040 120.570 -0.144 0.000 2.439 435 I HA 0.383 4.553 4.170 0.001 0.000 0.283 435 I C -0.606 175.373 176.117 -0.230 0.000 1.023 435 I CA -0.527 60.629 61.300 -0.240 0.000 1.100 435 I CB 1.614 39.519 38.000 -0.158 0.000 1.238 435 I HN 0.382 nan 8.210 nan 0.000 0.445 436 I N 6.482 126.870 120.570 -0.304 0.000 2.498 436 I HA 0.559 4.730 4.170 0.001 0.000 0.301 436 I C -0.487 175.465 176.117 -0.276 0.000 0.984 436 I CA -0.933 60.224 61.300 -0.239 0.000 1.204 436 I CB 2.091 39.958 38.000 -0.222 0.000 1.362 436 I HN 0.173 nan 8.210 nan 0.000 0.471 437 V N 3.411 123.202 119.914 -0.205 0.000 2.841 437 V HA 0.321 4.441 4.120 0.001 0.000 0.310 437 V C 0.062 176.047 176.094 -0.181 0.000 1.090 437 V CA -0.793 61.392 62.300 -0.193 0.000 0.930 437 V CB 2.017 33.747 31.823 -0.155 0.000 1.014 437 V HN 0.920 nan 8.190 nan 0.000 0.425 438 S N 1.964 117.567 115.700 -0.161 0.000 2.596 438 S HA 0.213 4.683 4.470 0.001 0.000 0.260 438 S C 0.380 174.800 174.600 -0.300 0.000 1.336 438 S CA -0.038 58.014 58.200 -0.246 0.000 0.993 438 S CB 0.615 63.785 63.200 -0.051 0.000 0.923 438 S HN 0.931 nan 8.310 nan 0.000 0.567 439 N N -0.788 117.593 118.700 -0.533 0.000 2.301 439 N HA 0.108 4.849 4.740 0.001 0.000 0.247 439 N C -0.100 175.249 175.510 -0.268 0.000 1.347 439 N CA -0.293 52.554 53.050 -0.338 0.000 0.844 439 N CB 0.178 38.482 38.487 -0.305 0.000 1.332 439 N HN 0.800 nan 8.380 nan 0.000 0.494 440 W N 0.969 122.285 121.300 0.027 0.000 2.350 440 W HA -0.150 4.510 4.660 0.001 0.000 0.289 440 W C 2.633 179.188 176.519 0.060 0.000 1.215 440 W CA 1.653 59.030 57.345 0.054 0.000 1.236 440 W CB -0.453 29.048 29.460 0.068 0.000 1.130 440 W HN 0.169 nan 8.180 nan 0.000 0.541 441 T N -1.399 113.294 114.554 0.232 0.000 2.821 441 T HA -0.099 4.252 4.350 0.001 0.000 0.267 441 T C 1.704 176.458 174.700 0.090 0.000 1.046 441 T CA 1.074 63.271 62.100 0.162 0.000 1.139 441 T CB -0.293 68.645 68.868 0.117 0.000 0.871 441 T HN 0.085 nan 8.240 nan 0.000 0.454 442 R N 1.109 121.632 120.500 0.038 0.000 2.246 442 R HA 0.193 4.533 4.340 0.001 0.000 0.199 442 R C 0.513 176.798 176.300 -0.026 0.000 0.984 442 R CA 0.179 56.275 56.100 -0.007 0.000 1.015 442 R CB -0.005 30.273 30.300 -0.036 0.000 0.930 442 R HN 0.386 nan 8.270 nan 0.000 0.475 443 D N 1.241 121.640 120.400 -0.002 0.000 2.358 443 D HA -0.006 4.635 4.640 0.001 0.000 0.258 443 D C -1.486 174.784 176.300 -0.050 0.000 1.223 443 D CA -1.933 52.058 54.000 -0.015 0.000 0.886 443 D CB 1.408 42.244 40.800 0.060 0.000 1.120 443 D HN 0.007 nan 8.370 nan 0.000 0.482 444 P HA -0.172 nan 4.420 nan 0.000 0.221 444 P C 0.565 177.639 177.300 -0.376 0.000 1.145 444 P CA 1.149 64.026 63.100 -0.372 0.000 0.795 444 P CB -0.073 31.267 31.700 -0.601 0.000 0.775 445 Y N -1.408 118.942 120.300 0.082 0.000 2.532 445 Y HA 0.273 4.823 4.550 0.001 0.000 0.283 445 Y C 2.410 178.394 175.900 0.140 0.000 1.181 445 Y CA -0.238 57.919 58.100 0.095 0.000 1.256 445 Y CB 0.437 38.955 38.460 0.097 0.000 1.112 445 Y HN -0.005 nan 8.280 nan 0.000 0.521 446 S N -0.306 115.529 115.700 0.226 0.000 3.608 446 S HA 0.163 4.634 4.470 0.001 0.000 0.234 446 S C 0.494 175.222 174.600 0.212 0.000 1.077 446 S CA -0.198 58.178 58.200 0.294 0.000 0.827 446 S CB 0.238 63.728 63.200 0.482 0.000 0.964 446 S HN 0.355 nan 8.310 nan 0.000 0.547 447 R N 1.442 122.042 120.500 0.166 0.000 3.251 447 R HA -0.105 4.236 4.340 0.001 0.000 0.249 447 R C 0.263 176.715 176.300 0.252 0.000 0.949 447 R CA 0.421 56.589 56.100 0.114 0.000 0.645 447 R CB -2.233 28.055 30.300 -0.021 0.000 1.065 447 R HN 0.728 nan 8.270 nan 0.000 0.452 448 G N -2.406 106.623 108.800 0.382 0.000 2.354 448 G HA2 0.252 4.212 3.960 0.001 0.000 0.582 448 G HA3 0.252 4.212 3.960 0.001 0.000 0.582 448 G C 0.155 175.251 174.900 0.326 0.000 1.316 448 G CA -0.240 45.141 45.100 0.467 0.000 0.995 448 G HN 0.345 nan 8.290 nan 0.000 0.573 449 A N -0.842 121.909 122.820 -0.115 0.000 1.859 449 A HA 0.738 5.058 4.320 0.001 0.000 0.212 449 A C 0.676 177.956 177.584 -0.508 0.000 1.238 449 A CA 2.509 54.325 52.037 -0.368 0.000 0.613 449 A CB -0.217 18.462 19.000 -0.534 0.000 0.904 449 A HN 2.315 nan 8.150 nan 0.000 0.457 450 Y N -2.918 116.772 120.300 -1.016 0.000 2.779 450 Y HA 0.500 5.050 4.550 0.001 0.000 0.340 450 Y C -0.145 175.084 175.900 -1.117 0.000 1.252 450 Y CA -1.405 56.099 58.100 -0.994 0.000 1.072 450 Y CB -0.009 38.227 38.460 -0.373 0.000 1.343 450 Y HN 0.196 nan 8.280 nan 0.000 0.450 451 S N 1.022 116.629 115.700 -0.155 0.000 2.552 451 S HA 0.651 5.121 4.470 0.001 0.000 0.289 451 S C -0.067 174.583 174.600 0.084 0.000 1.304 451 S CA 0.319 58.556 58.200 0.062 0.000 1.063 451 S CB 0.336 63.652 63.200 0.193 0.000 0.848 451 S HN 1.653 nan 8.310 nan 0.000 0.499 452 A N 1.824 124.679 122.820 0.059 0.000 2.587 452 A HA 0.670 4.990 4.320 0.001 0.000 0.293 452 A C -0.813 176.822 177.584 0.084 0.000 1.087 452 A CA -0.908 51.203 52.037 0.124 0.000 0.692 452 A CB 1.073 20.146 19.000 0.122 0.000 1.291 452 A HN 0.985 nan 8.150 nan 0.000 0.407 453 C N 0.868 120.257 119.300 0.148 0.000 2.351 453 C HA 0.664 5.124 4.460 0.001 0.000 0.326 453 C C 0.088 175.249 174.990 0.285 0.000 1.272 453 C CA -0.481 58.618 59.018 0.134 0.000 1.650 453 C CB -0.854 26.945 27.740 0.099 0.000 2.257 453 C HN 0.647 nan 8.230 nan 0.000 0.505 454 F N 3.292 123.307 119.950 0.108 0.000 2.380 454 F HA 0.374 4.901 4.527 0.001 0.000 0.319 454 F C -1.550 174.263 175.800 0.021 0.000 1.113 454 F CA -2.467 55.537 58.000 0.007 0.000 1.056 454 F CB 0.940 39.851 39.000 -0.149 0.000 1.289 454 F HN 0.288 nan 8.300 nan 0.000 0.515 455 P HA 0.073 nan 4.420 nan 0.000 0.267 455 P C 0.388 177.762 177.300 0.123 0.000 1.205 455 P CA 0.864 64.036 63.100 0.119 0.000 0.765 455 P CB 0.825 32.576 31.700 0.086 0.000 0.828 456 G N 2.602 111.456 108.800 0.090 0.000 2.259 456 G HA2 -0.169 3.792 3.960 0.001 0.000 0.217 456 G HA3 -0.169 3.792 3.960 0.001 0.000 0.217 456 G C -0.146 174.803 174.900 0.083 0.000 1.001 456 G CA -0.351 44.800 45.100 0.085 0.000 0.627 456 G HN 0.495 nan 8.290 nan 0.000 0.501 457 D N 2.048 122.512 120.400 0.107 0.000 2.455 457 D HA 0.464 5.104 4.640 0.001 0.000 0.241 457 D C 0.385 176.700 176.300 0.025 0.000 1.138 457 D CA 1.247 55.296 54.000 0.081 0.000 0.877 457 D CB 0.839 41.702 40.800 0.106 0.000 1.187 457 D HN 0.717 nan 8.370 nan 0.000 0.451 458 D N 2.541 122.941 120.400 0.000 0.000 2.462 458 D HA 0.224 4.865 4.640 0.001 0.000 0.249 458 D C -1.580 174.696 176.300 -0.040 0.000 1.117 458 D CA -1.277 52.713 54.000 -0.017 0.000 0.900 458 D CB 1.158 nan 40.800 nan 0.000 1.039 458 D HN 0.106 nan 8.370 nan 0.000 0.516 459 P HA -0.148 nan 4.420 nan 0.000 0.221 459 P C 1.725 178.986 177.300 -0.065 0.000 1.145 459 P CA 0.546 63.614 63.100 -0.053 0.000 0.795 459 P CB 0.397 32.075 31.700 -0.036 0.000 0.775 460 V N 1.075 120.958 119.914 -0.053 0.000 2.490 460 V HA -0.217 3.903 4.120 0.001 0.000 0.250 460 V C 2.154 178.207 176.094 -0.070 0.000 1.061 460 V CA 2.254 64.522 62.300 -0.054 0.000 1.064 460 V CB -1.344 30.457 31.823 -0.037 0.000 0.670 460 V HN 0.071 nan 8.190 nan 0.000 0.461 461 D N -0.451 119.903 120.400 -0.078 0.000 2.092 461 D HA -0.231 4.410 4.640 0.001 0.000 0.193 461 D C 1.985 178.202 176.300 -0.139 0.000 0.994 461 D CA 1.626 55.568 54.000 -0.096 0.000 0.828 461 D CB -0.332 40.409 40.800 -0.098 0.000 0.963 461 D HN 0.366 nan 8.370 nan 0.000 0.450 462 M N 0.298 119.795 119.600 -0.172 0.000 2.086 462 M HA -0.097 4.384 4.480 0.001 0.000 0.261 462 M C 1.931 178.127 176.300 -0.174 0.000 1.067 462 M CA 1.140 56.301 55.300 -0.232 0.000 1.116 462 M CB -0.413 32.039 32.600 -0.247 0.000 1.348 462 M HN -0.114 nan 8.290 nan 0.000 0.407 463 V N -0.817 119.023 119.914 -0.123 0.000 2.332 463 V HA -0.263 3.857 4.120 0.001 0.000 0.248 463 V C 2.380 178.421 176.094 -0.089 0.000 1.055 463 V CA 1.750 63.989 62.300 -0.101 0.000 1.038 463 V CB -0.885 30.891 31.823 -0.077 0.000 0.651 463 V HN 0.393 nan 8.190 nan 0.000 0.450 464 V N 0.072 119.937 119.914 -0.081 0.000 2.270 464 V HA -0.229 3.891 4.120 0.001 0.000 0.245 464 V C 2.700 178.754 176.094 -0.067 0.000 1.043 464 V CA 2.042 64.305 62.300 -0.061 0.000 1.014 464 V CB -1.064 30.727 31.823 -0.053 0.000 0.645 464 V HN 0.559 nan 8.190 nan 0.000 0.447 465 A N -0.691 122.068 122.820 -0.102 0.000 1.940 465 A HA -0.224 4.096 4.320 0.001 0.000 0.219 465 A C 2.235 179.748 177.584 -0.117 0.000 1.176 465 A CA 2.037 54.005 52.037 -0.115 0.000 0.631 465 A CB -0.425 18.468 19.000 -0.178 0.000 0.814 465 A HN 0.431 nan 8.150 nan 0.000 0.446 466 M N 0.357 119.863 119.600 -0.156 0.000 2.098 466 M HA -0.096 4.384 4.480 0.001 0.000 0.262 466 M C 2.371 178.701 176.300 0.050 0.000 1.072 466 M CA 1.963 57.181 55.300 -0.137 0.000 1.133 466 M CB -1.359 31.127 32.600 -0.191 0.000 1.344 466 M HN 0.611 nan 8.290 nan 0.000 0.414 467 S N -0.193 115.509 115.700 0.004 0.000 2.603 467 S HA -0.017 4.453 4.470 0.001 0.000 0.229 467 S C 1.070 175.695 174.600 0.042 0.000 0.972 467 S CA 0.659 58.874 58.200 0.026 0.000 0.935 467 S CB -0.473 62.721 63.200 -0.009 0.000 0.769 467 S HN 0.378 nan 8.310 nan 0.000 0.536 468 N N 1.562 120.291 118.700 0.050 0.000 2.203 468 N HA 0.308 5.048 4.740 0.001 0.000 0.207 468 N C 0.912 176.477 175.510 0.092 0.000 1.130 468 N CA 0.644 53.724 53.050 0.050 0.000 0.861 468 N CB 0.409 38.910 38.487 0.023 0.000 1.005 468 N HN 0.590 nan 8.380 nan 0.000 0.507 469 G N 1.315 110.221 108.800 0.177 0.000 2.992 469 G HA2 -0.343 3.617 3.960 0.001 0.000 0.340 469 G HA3 -0.343 3.617 3.960 0.001 0.000 0.340 469 G C 0.580 175.627 174.900 0.246 0.000 1.539 469 G CA 0.385 45.639 45.100 0.258 0.000 0.997 469 G HN 0.329 nan 8.290 nan 0.000 0.561 470 Q N 0.041 120.009 119.800 0.279 0.000 2.230 470 Q HA 0.230 4.570 4.340 0.001 0.000 0.202 470 Q C 1.003 177.062 176.000 0.099 0.000 0.963 470 Q CA 2.574 58.498 55.803 0.202 0.000 0.866 470 Q CB 0.102 28.959 28.738 0.198 0.000 0.931 470 Q HN 1.104 nan 8.270 nan 0.000 0.452 471 D N -4.198 116.245 120.400 0.071 0.000 2.827 471 D HA 0.003 4.644 4.640 0.001 0.000 0.336 471 D C 0.182 176.506 176.300 0.041 0.000 1.374 471 D CA 0.157 54.184 54.000 0.045 0.000 0.794 471 D CB -0.412 40.404 40.800 0.028 0.000 1.364 471 D HN -0.076 nan 8.370 nan 0.000 0.464 472 S N -1.129 114.592 115.700 0.036 0.000 2.440 472 S HA -0.184 4.286 4.470 0.001 0.000 0.238 472 S C 1.327 175.990 174.600 0.105 0.000 1.010 472 S CA 0.793 59.034 58.200 0.069 0.000 0.972 472 S CB -0.350 62.881 63.200 0.052 0.000 0.774 472 S HN 0.458 nan 8.310 nan 0.000 0.501 473 R N 0.028 120.525 120.500 -0.005 0.000 2.191 473 R HA 0.415 4.755 4.340 0.001 0.000 0.196 473 R C -0.143 176.152 176.300 -0.008 0.000 0.991 473 R CA 0.048 56.103 56.100 -0.076 0.000 1.075 473 R CB -0.639 29.509 30.300 -0.252 0.000 1.040 473 R HN 0.400 nan 8.270 nan 0.000 0.526 474 I N 3.274 123.818 120.570 -0.043 0.000 2.308 474 I HA 0.113 4.283 4.170 0.001 0.000 0.293 474 I C 0.164 176.124 176.117 -0.260 0.000 1.078 474 I CA 0.056 61.279 61.300 -0.128 0.000 1.292 474 I CB 0.363 38.330 38.000 -0.055 0.000 1.423 474 I HN -0.234 nan 8.210 nan 0.000 0.493 475 R N 5.576 125.878 120.500 -0.331 0.000 2.856 475 R HA 0.696 5.037 4.340 0.001 0.000 0.258 475 R C -1.115 174.837 176.300 -0.580 0.000 1.066 475 R CA -0.925 54.980 56.100 -0.323 0.000 1.045 475 R CB 1.262 31.503 30.300 -0.099 0.000 1.178 475 R HN 0.240 nan 8.270 nan 0.000 0.499 476 F N -0.638 119.326 119.950 0.023 0.000 2.578 476 F HA 0.723 5.250 4.527 0.001 0.000 0.311 476 F C 0.017 175.793 175.800 -0.041 0.000 1.094 476 F CA -0.815 57.196 58.000 0.017 0.000 0.923 476 F CB 2.344 41.358 39.000 0.023 0.000 1.230 476 F HN 0.605 nan 8.300 nan 0.000 0.450 477 A N 1.324 124.229 122.820 0.141 0.000 2.569 477 A HA 1.012 5.332 4.320 0.001 0.000 0.290 477 A C -0.382 177.184 177.584 -0.030 0.000 1.136 477 A CA -0.406 51.638 52.037 0.012 0.000 0.710 477 A CB 1.790 20.789 19.000 -0.002 0.000 1.303 477 A HN 1.704 nan 8.150 nan 0.000 0.413 478 G N -0.386 108.360 108.800 -0.089 0.000 2.334 478 G HA2 0.440 4.400 3.960 0.001 0.000 0.566 478 G HA3 0.440 4.400 3.960 0.001 0.000 0.566 478 G C -0.043 174.769 174.900 -0.147 0.000 1.413 478 G CA 0.544 45.605 45.100 -0.064 0.000 0.993 478 G HN 1.703 nan 8.290 nan 0.000 0.642 479 E N -0.274 119.928 120.200 0.003 0.000 2.267 479 E HA -0.214 4.136 4.350 0.001 0.000 0.197 479 E C 1.550 178.136 176.600 -0.025 0.000 0.998 479 E CA 2.358 58.743 56.400 -0.025 0.000 0.830 479 E CB -0.363 29.333 29.700 -0.006 0.000 0.751 479 E HN 0.887 nan 8.360 nan 0.000 0.491 480 H N -0.284 118.798 119.070 0.020 0.000 2.517 480 H HA 0.241 4.797 4.556 0.001 0.000 0.282 480 H C 0.357 175.661 175.328 -0.040 0.000 1.023 480 H CA 0.926 56.977 56.048 0.005 0.000 1.169 480 H CB -0.186 29.610 29.762 0.057 0.000 1.454 480 H HN 0.287 nan 8.280 nan 0.000 0.556 481 T N -1.666 112.641 114.554 -0.412 0.000 3.228 481 T HA 0.419 4.769 4.350 0.001 0.000 0.278 481 T C 0.147 174.756 174.700 -0.152 0.000 1.014 481 T CA -0.414 61.509 62.100 -0.296 0.000 0.904 481 T CB -0.324 68.349 68.868 -0.325 0.000 1.110 481 T HN 0.304 nan 8.240 nan 0.000 0.541 482 I N 0.079 120.575 120.570 -0.123 0.000 2.787 482 I HA 0.429 4.599 4.170 0.001 0.000 0.294 482 I C 0.316 176.387 176.117 -0.077 0.000 1.365 482 I CA -1.044 60.206 61.300 -0.082 0.000 1.029 482 I CB 2.061 40.020 38.000 -0.068 0.000 1.313 482 I HN -0.053 nan 8.210 nan 0.000 0.431 483 M N 3.282 122.850 119.600 -0.052 0.000 2.101 483 M HA 0.056 4.537 4.480 0.001 0.000 0.259 483 M C -0.005 176.267 176.300 -0.047 0.000 1.083 483 M CA 1.681 56.952 55.300 -0.047 0.000 1.114 483 M CB -0.412 32.174 32.600 -0.024 0.000 1.281 483 M HN 0.491 nan 8.290 nan 0.000 0.422 484 D N 0.260 120.659 120.400 -0.002 0.000 2.382 484 D HA 0.414 5.055 4.640 0.001 0.000 0.259 484 D C 0.820 177.109 176.300 -0.019 0.000 1.224 484 D CA 1.436 55.461 54.000 0.043 0.000 0.894 484 D CB -0.031 40.842 40.800 0.122 0.000 1.127 484 D HN 0.670 nan 8.370 nan 0.000 0.487 485 G N 1.956 110.684 108.800 -0.121 0.000 2.132 485 G HA2 -0.157 3.804 3.960 0.001 0.000 0.234 485 G HA3 -0.157 3.804 3.960 0.001 0.000 0.234 485 G C 0.532 175.167 174.900 -0.442 0.000 0.989 485 G CA -0.153 44.609 45.100 -0.563 0.000 0.676 485 G HN 0.838 nan 8.290 nan 0.000 0.522 486 A N -0.312 122.347 122.820 -0.269 0.000 2.561 486 A HA 0.590 4.910 4.320 0.001 0.000 0.234 486 A C 2.199 179.622 177.584 -0.269 0.000 1.055 486 A CA 2.041 53.946 52.037 -0.220 0.000 0.756 486 A CB -0.153 18.746 19.000 -0.168 0.000 0.986 486 A HN 2.405 nan 8.150 nan 0.000 0.505 487 G N 0.451 109.124 108.800 -0.212 0.000 2.196 487 G HA2 -0.295 3.666 3.960 0.001 0.000 0.268 487 G HA3 -0.295 3.666 3.960 0.001 0.000 0.268 487 G C 0.441 175.100 174.900 -0.401 0.000 0.975 487 G CA 0.608 45.533 45.100 -0.291 0.000 0.648 487 G HN 1.139 nan 8.290 nan 0.000 0.538 488 C N -0.356 118.744 119.300 -0.332 0.000 2.358 488 C HA 0.793 5.254 4.460 0.001 0.000 0.354 488 C C 2.265 177.126 174.990 -0.214 0.000 1.183 488 C CA 0.193 59.049 59.018 -0.270 0.000 2.150 488 C CB 1.242 28.781 27.740 -0.335 0.000 2.361 488 C HN 0.807 nan 8.230 nan 0.000 0.535 489 A N 0.897 123.649 122.820 -0.114 0.000 1.902 489 A HA -0.170 4.150 4.320 0.001 0.000 0.217 489 A C 1.772 179.404 177.584 0.080 0.000 1.181 489 A CA 2.090 54.083 52.037 -0.074 0.000 0.623 489 A CB -0.855 18.031 19.000 -0.190 0.000 0.818 489 A HN 1.079 nan 8.150 nan 0.000 0.443 490 Y N -0.534 119.823 120.300 0.095 0.000 2.509 490 Y HA 0.240 4.790 4.550 0.001 0.000 0.293 490 Y C 1.953 177.998 175.900 0.242 0.000 1.133 490 Y CA 0.481 58.663 58.100 0.136 0.000 1.283 490 Y CB -0.966 37.536 38.460 0.071 0.000 1.001 490 Y HN 0.069 nan 8.280 nan 0.000 0.555 491 G N 0.525 109.114 108.800 -0.351 0.000 2.411 491 G HA2 -0.046 3.914 3.960 0.001 0.000 0.213 491 G HA3 -0.046 3.914 3.960 0.001 0.000 0.213 491 G C 1.805 176.704 174.900 -0.002 0.000 1.166 491 G CA 0.657 45.616 45.100 -0.234 0.000 0.802 491 G HN 0.597 nan 8.290 nan 0.000 0.533 492 A N 0.419 123.242 122.820 0.005 0.000 1.883 492 A HA -0.097 4.224 4.320 0.001 0.000 0.217 492 A C 2.099 179.771 177.584 0.147 0.000 1.186 492 A CA 1.698 53.765 52.037 0.050 0.000 0.624 492 A CB -0.918 18.110 19.000 0.047 0.000 0.822 492 A HN 0.563 nan 8.150 nan 0.000 0.444 493 W N 0.773 122.089 121.300 0.026 0.000 2.311 493 W HA -0.293 4.368 4.660 0.001 0.000 0.326 493 W C 2.105 178.664 176.519 0.067 0.000 1.239 493 W CA 2.623 60.012 57.345 0.073 0.000 1.258 493 W CB -0.420 29.122 29.460 0.136 0.000 1.165 493 W HN 0.403 nan 8.180 nan 0.000 0.466 494 E N 0.490 120.946 120.200 0.427 0.000 2.097 494 E HA -0.285 4.065 4.350 0.001 0.000 0.196 494 E C 2.313 178.879 176.600 -0.057 0.000 1.000 494 E CA 2.638 59.109 56.400 0.119 0.000 0.804 494 E CB -0.693 29.217 29.700 0.349 0.000 0.740 494 E HN 0.327 nan 8.360 nan 0.000 0.454 495 S N -1.243 114.451 115.700 -0.010 0.000 2.419 495 S HA -0.050 4.420 4.470 0.001 0.000 0.233 495 S C 2.150 176.698 174.600 -0.087 0.000 1.016 495 S CA 0.957 59.128 58.200 -0.049 0.000 0.974 495 S CB -0.629 62.541 63.200 -0.050 0.000 0.786 495 S HN 0.358 nan 8.310 nan 0.000 0.492 496 G N 1.781 110.510 108.800 -0.119 0.000 2.394 496 G HA2 -0.121 3.839 3.960 0.001 0.000 0.214 496 G HA3 -0.121 3.839 3.960 0.001 0.000 0.214 496 G C 1.550 176.319 174.900 -0.219 0.000 1.176 496 G CA 0.496 45.507 45.100 -0.150 0.000 0.786 496 G HN 0.551 nan 8.290 nan 0.000 0.533 497 R N 0.359 120.647 120.500 -0.354 0.000 2.120 497 R HA 0.002 4.342 4.340 0.001 0.000 0.234 497 R C 2.524 178.699 176.300 -0.208 0.000 1.123 497 R CA 1.320 57.208 56.100 -0.354 0.000 0.975 497 R CB -0.274 29.694 30.300 -0.553 0.000 0.866 497 R HN 0.349 nan 8.270 nan 0.000 0.446 498 R N 0.420 120.823 120.500 -0.161 0.000 2.070 498 R HA -0.151 4.190 4.340 0.001 0.000 0.232 498 R C 1.747 177.989 176.300 -0.098 0.000 1.138 498 R CA 1.840 57.879 56.100 -0.102 0.000 0.936 498 R CB -0.160 30.100 30.300 -0.068 0.000 0.839 498 R HN 0.193 nan 8.270 nan 0.000 0.429 499 E N 0.418 120.560 120.200 -0.096 0.000 2.085 499 E HA -0.174 4.177 4.350 0.001 0.000 0.194 499 E C 1.885 178.405 176.600 -0.133 0.000 0.994 499 E CA 1.399 57.740 56.400 -0.098 0.000 0.801 499 E CB -0.364 29.287 29.700 -0.082 0.000 0.743 499 E HN 0.506 nan 8.360 nan 0.000 0.453 500 A N 0.695 123.434 122.820 -0.136 0.000 1.902 500 A HA -0.159 4.162 4.320 0.001 0.000 0.217 500 A C 2.483 179.983 177.584 -0.139 0.000 1.181 500 A CA 2.081 54.032 52.037 -0.143 0.000 0.623 500 A CB -0.915 18.007 19.000 -0.129 0.000 0.818 500 A HN 0.248 nan 8.150 nan 0.000 0.443 501 T N -0.640 113.839 114.554 -0.124 0.000 2.652 501 T HA -0.181 4.170 4.350 0.001 0.000 0.267 501 T C 2.074 176.708 174.700 -0.111 0.000 1.039 501 T CA 1.631 63.668 62.100 -0.104 0.000 1.153 501 T CB -0.285 68.530 68.868 -0.089 0.000 0.863 501 T HN 0.613 nan 8.240 nan 0.000 0.428 502 R N 0.674 121.105 120.500 -0.115 0.000 2.096 502 R HA -0.111 4.229 4.340 0.001 0.000 0.240 502 R C 2.383 178.574 176.300 -0.182 0.000 1.139 502 R CA 1.734 57.763 56.100 -0.119 0.000 0.952 502 R CB -0.541 29.697 30.300 -0.103 0.000 0.854 502 R HN 0.403 nan 8.270 nan 0.000 0.436 503 I N 0.543 120.950 120.570 -0.271 0.000 2.142 503 I HA -0.270 3.900 4.170 0.001 0.000 0.240 503 I C 2.429 178.360 176.117 -0.310 0.000 1.078 503 I CA 1.457 62.480 61.300 -0.461 0.000 1.343 503 I CB -0.396 37.264 38.000 -0.567 0.000 1.046 503 I HN 0.238 nan 8.210 nan 0.000 0.405 504 S N 0.766 116.347 115.700 -0.198 0.000 2.369 504 S HA -0.276 4.194 4.470 0.001 0.000 0.225 504 S C 1.616 176.157 174.600 -0.097 0.000 1.043 504 S CA 2.048 60.175 58.200 -0.121 0.000 1.074 504 S CB -0.531 62.618 63.200 -0.085 0.000 0.962 504 S HN 0.439 nan 8.310 nan 0.000 0.433 505 D N 1.241 121.585 120.400 -0.093 0.000 2.149 505 D HA -0.098 4.542 4.640 0.001 0.000 0.194 505 D C 1.878 178.144 176.300 -0.057 0.000 1.001 505 D CA 0.916 54.878 54.000 -0.064 0.000 0.849 505 D CB -0.449 40.316 40.800 -0.058 0.000 0.939 505 D HN 0.315 nan 8.370 nan 0.000 0.449 506 L N -0.110 121.061 121.223 -0.086 0.000 2.027 506 L HA -0.093 4.247 4.340 0.001 0.000 0.206 506 L C 2.362 179.227 176.870 -0.008 0.000 1.074 506 L CA 0.652 55.467 54.840 -0.042 0.000 0.745 506 L CB -0.333 41.692 42.059 -0.057 0.000 0.898 506 L HN 0.063 nan 8.230 nan 0.000 0.433 507 L N 0.036 121.233 121.223 -0.044 0.000 2.456 507 L HA -0.161 4.180 4.340 0.001 0.000 0.224 507 L C 2.512 179.383 176.870 0.001 0.000 1.148 507 L CA 0.756 55.598 54.840 0.004 0.000 0.825 507 L CB -0.423 41.625 42.059 -0.017 0.000 0.937 507 L HN 0.300 nan 8.230 nan 0.000 0.450 508 K N 1.478 121.869 120.400 -0.014 0.000 2.228 508 K HA -0.026 4.295 4.320 0.001 0.000 0.202 508 K C 0.951 177.551 176.600 0.000 0.000 1.051 508 K CA 0.538 56.820 56.287 -0.008 0.000 0.960 508 K CB 0.118 32.608 32.500 -0.018 0.000 0.743 508 K HN 0.224 nan 8.250 nan 0.000 0.458 509 L N 2.630 123.855 121.223 0.004 0.000 2.387 509 L HA 0.486 4.826 4.340 0.001 0.000 0.267 509 L C 0.233 177.113 176.870 0.015 0.000 1.197 509 L CA 0.302 55.148 54.840 0.009 0.000 1.070 509 L CB -0.850 41.215 42.059 0.010 0.000 1.349 509 L HN 0.431 nan 8.230 nan 0.000 0.422 510 E N 0.000 120.208 120.200 0.013 0.000 2.725 510 E HA 0.000 4.350 4.350 0.001 0.000 0.291 510 E CA 0.000 56.409 56.400 0.015 0.000 0.976 510 E CB 0.000 nan 29.700 nan 0.000 0.812 510 E HN 0.000 nan 8.360 nan 0.000 0.440