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 3bi2_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 0.000 174.570 174.600 -0.051 0.000 1.055 5 S CA 0.000 58.178 58.200 -0.037 0.000 1.107 5 S CB 0.000 63.176 63.200 -0.040 0.000 0.593 6 P HA 0.582 nan 4.420 nan 0.000 0.276 6 P C -0.437 176.836 177.300 -0.044 0.000 1.235 6 P CA 0.073 63.126 63.100 -0.080 0.000 0.772 6 P CB 0.962 32.618 31.700 -0.074 0.000 0.871 7 A N 4.208 126.998 122.820 -0.050 0.000 2.567 7 A HA 0.038 4.359 4.320 0.001 0.000 0.240 7 A C 0.609 178.236 177.584 0.072 0.000 1.053 7 A CA 0.156 52.207 52.037 0.023 0.000 0.755 7 A CB -0.189 18.849 19.000 0.063 0.000 0.978 7 A HN 0.432 nan 8.150 nan 0.000 0.507 8 K N 2.287 122.710 120.400 0.040 0.000 2.249 8 K HA 0.362 4.682 4.320 0.001 0.000 0.280 8 K C -0.273 176.332 176.600 0.008 0.000 1.033 8 K CA -0.035 56.266 56.287 0.023 0.000 0.946 8 K CB 0.977 33.481 32.500 0.006 0.000 1.005 8 K HN 0.633 nan 8.250 nan 0.000 0.469 9 K N 2.517 122.904 120.400 -0.022 0.000 2.498 9 K HA 0.234 4.555 4.320 0.001 0.000 0.254 9 K C 0.424 176.970 176.600 -0.091 0.000 0.933 9 K CA -0.842 55.389 56.287 -0.093 0.000 0.806 9 K CB 1.840 34.246 32.500 -0.157 0.000 1.301 9 K HN 0.130 nan 8.250 nan 0.000 0.432 10 K N 0.156 120.484 120.400 -0.120 0.000 2.062 10 K HA 0.101 4.421 4.320 0.001 0.000 0.205 10 K C 0.282 176.848 176.600 -0.057 0.000 1.051 10 K CA 0.862 57.109 56.287 -0.068 0.000 0.941 10 K CB 0.353 32.806 32.500 -0.078 0.000 0.719 10 K HN 0.331 nan 8.250 nan 0.000 0.440 11 V N 0.988 120.802 119.914 -0.167 0.000 2.711 11 V HA 0.352 4.473 4.120 0.001 0.000 0.304 11 V C -1.049 174.897 176.094 -0.246 0.000 1.097 11 V CA -0.805 61.403 62.300 -0.153 0.000 0.906 11 V CB 2.155 33.877 31.823 -0.169 0.000 1.015 11 V HN -0.031 nan 8.190 nan 0.000 0.427 12 I N 5.464 125.920 120.570 -0.190 0.000 2.378 12 I HA 0.519 4.689 4.170 0.001 0.000 0.291 12 I C -0.687 175.321 176.117 -0.180 0.000 0.992 12 I CA -0.445 60.716 61.300 -0.233 0.000 1.154 12 I CB 1.743 39.609 38.000 -0.224 0.000 1.315 12 I HN 0.444 nan 8.210 nan 0.000 0.448 13 I N 7.235 127.690 120.570 -0.191 0.000 2.339 13 I HA 0.328 4.499 4.170 0.001 0.000 0.290 13 I C -0.552 175.505 176.117 -0.099 0.000 0.994 13 I CA -0.661 60.560 61.300 -0.132 0.000 1.191 13 I CB 1.537 39.456 38.000 -0.136 0.000 1.343 13 I HN 0.345 nan 8.210 nan 0.000 0.458 14 I N 5.866 126.401 120.570 -0.058 0.000 2.304 14 I HA 0.608 4.779 4.170 0.001 0.000 0.291 14 I C 0.596 176.718 176.117 0.010 0.000 1.018 14 I CA 0.035 61.317 61.300 -0.030 0.000 1.260 14 I CB 0.982 38.977 38.000 -0.008 0.000 1.390 14 I HN 0.764 nan 8.210 nan 0.000 0.475 15 G N 4.512 113.313 108.800 0.003 0.000 3.355 15 G HA2 0.229 4.189 3.960 0.001 0.000 0.686 15 G HA3 0.229 4.189 3.960 0.001 0.000 0.686 15 G C -0.267 174.658 174.900 0.043 0.000 1.097 15 G CA -0.474 44.645 45.100 0.031 0.000 0.881 15 G HN 0.969 nan 8.290 nan 0.000 0.550 16 A N 1.804 124.657 122.820 0.055 0.000 2.833 16 A HA 0.760 5.080 4.320 0.001 0.000 0.293 16 A C 1.406 179.050 177.584 0.100 0.000 1.338 16 A CA 1.101 53.191 52.037 0.088 0.000 0.959 16 A CB -0.245 18.813 19.000 0.096 0.000 1.094 16 A HN 2.092 nan 8.150 nan 0.000 0.569 17 G N -0.920 107.935 108.800 0.092 0.000 2.563 17 G HA2 0.370 4.330 3.960 0.001 0.000 0.283 17 G HA3 0.370 4.330 3.960 0.001 0.000 0.283 17 G C 0.942 175.904 174.900 0.103 0.000 1.309 17 G CA -0.390 44.764 45.100 0.090 0.000 1.022 17 G HN 0.327 nan 8.290 nan 0.000 0.501 18 I N -0.122 120.506 120.570 0.097 0.000 2.567 18 I HA -0.115 4.055 4.170 0.001 0.000 0.257 18 I C 2.704 178.918 176.117 0.162 0.000 1.184 18 I CA 1.371 62.762 61.300 0.151 0.000 1.451 18 I CB 0.069 38.162 38.000 0.154 0.000 1.089 18 I HN 0.465 nan 8.210 nan 0.000 0.441 19 A N 0.240 123.129 122.820 0.115 0.000 1.872 19 A HA -0.036 4.285 4.320 0.001 0.000 0.214 19 A C 2.330 179.939 177.584 0.041 0.000 1.187 19 A CA 1.414 53.497 52.037 0.075 0.000 0.614 19 A CB -1.323 17.719 19.000 0.070 0.000 0.826 19 A HN 0.458 nan 8.150 nan 0.000 0.442 20 G N -0.269 108.564 108.800 0.055 0.000 2.403 20 G HA2 -0.085 3.875 3.960 0.001 0.000 0.216 20 G HA3 -0.085 3.875 3.960 0.001 0.000 0.216 20 G C 1.552 176.471 174.900 0.031 0.000 1.154 20 G CA 0.891 46.005 45.100 0.024 0.000 0.784 20 G HN 0.396 nan 8.290 nan 0.000 0.538 21 L N 0.002 121.293 121.223 0.113 0.000 2.046 21 L HA -0.056 4.285 4.340 0.001 0.000 0.208 21 L C 2.777 179.758 176.870 0.185 0.000 1.077 21 L CA 1.524 56.498 54.840 0.224 0.000 0.747 21 L CB -0.270 41.952 42.059 0.271 0.000 0.896 21 L HN 0.191 nan 8.230 nan 0.000 0.432 22 K N 0.640 121.103 120.400 0.106 0.000 2.097 22 K HA -0.082 4.238 4.320 0.001 0.000 0.205 22 K C 2.003 178.556 176.600 -0.080 0.000 1.050 22 K CA 1.435 57.716 56.287 -0.011 0.000 0.938 22 K CB -0.312 32.043 32.500 -0.242 0.000 0.718 22 K HN 0.199 nan 8.250 nan 0.000 0.442 23 A N 0.751 123.522 122.820 -0.081 0.000 1.883 23 A HA -0.107 4.213 4.320 0.001 0.000 0.217 23 A C 2.419 179.952 177.584 -0.085 0.000 1.186 23 A CA 2.271 54.249 52.037 -0.099 0.000 0.624 23 A CB -1.228 17.717 19.000 -0.091 0.000 0.822 23 A HN 0.435 nan 8.150 nan 0.000 0.444 24 A N -0.788 121.958 122.820 -0.123 0.000 1.877 24 A HA -0.125 4.196 4.320 0.001 0.000 0.216 24 A C 2.506 180.083 177.584 -0.013 0.000 1.186 24 A CA 2.300 54.219 52.037 -0.196 0.000 0.620 24 A CB -1.108 17.444 19.000 -0.747 0.000 0.822 24 A HN 0.689 nan 8.150 nan 0.000 0.443 25 S N -0.883 114.877 115.700 0.099 0.000 2.383 25 S HA -0.165 4.305 4.470 0.001 0.000 0.229 25 S C 1.936 176.624 174.600 0.148 0.000 1.030 25 S CA 2.330 60.680 58.200 0.251 0.000 1.002 25 S CB -0.609 62.747 63.200 0.259 0.000 0.829 25 S HN 0.610 nan 8.310 nan 0.000 0.467 26 T N 2.155 116.737 114.554 0.047 0.000 2.985 26 T HA 0.175 4.525 4.350 0.001 0.000 0.266 26 T C 1.666 176.382 174.700 0.026 0.000 1.076 26 T CA 0.901 63.001 62.100 0.001 0.000 1.135 26 T CB -0.178 68.641 68.868 -0.082 0.000 0.890 26 T HN 0.304 nan 8.240 nan 0.000 0.480 27 L N 0.103 121.365 121.223 0.066 0.000 2.023 27 L HA -0.066 4.274 4.340 0.001 0.000 0.205 27 L C 2.592 179.583 176.870 0.202 0.000 1.073 27 L CA 1.525 56.424 54.840 0.097 0.000 0.745 27 L CB -0.570 41.545 42.059 0.094 0.000 0.900 27 L HN 0.271 nan 8.230 nan 0.000 0.435 28 H N 0.277 119.466 119.070 0.197 0.000 2.290 28 H HA -0.272 4.284 4.556 0.001 0.000 0.298 28 H C 2.267 177.633 175.328 0.064 0.000 1.087 28 H CA 2.270 58.397 56.048 0.132 0.000 1.291 28 H CB -0.133 29.607 29.762 -0.036 0.000 1.369 28 H HN 0.281 nan 8.280 nan 0.000 0.492 29 Q N -0.161 119.637 119.800 -0.002 0.000 2.197 29 Q HA -0.189 4.151 4.340 0.001 0.000 0.207 29 Q C 0.853 176.804 176.000 -0.082 0.000 0.984 29 Q CA 1.883 57.638 55.803 -0.081 0.000 0.869 29 Q CB -0.044 28.696 28.738 0.003 0.000 0.906 29 Q HN 0.476 nan 8.270 nan 0.000 0.426 30 N N -0.969 117.709 118.700 -0.038 0.000 2.322 30 N HA 0.146 4.886 4.740 0.001 0.000 0.194 30 N C 0.344 175.835 175.510 -0.031 0.000 1.126 30 N CA 0.804 53.834 53.050 -0.034 0.000 0.845 30 N CB 0.935 39.406 38.487 -0.027 0.000 0.976 30 N HN 0.449 nan 8.380 nan 0.000 0.475 31 G N -0.336 108.436 108.800 -0.047 0.000 2.176 31 G HA2 -0.250 3.710 3.960 0.001 0.000 0.253 31 G HA3 -0.250 3.710 3.960 0.001 0.000 0.253 31 G C 0.129 175.066 174.900 0.062 0.000 0.979 31 G CA -0.256 44.832 45.100 -0.021 0.000 0.641 31 G HN 0.173 nan 8.290 nan 0.000 0.530 32 I N 1.019 121.648 120.570 0.099 0.000 2.892 32 I HA 0.284 4.455 4.170 0.001 0.000 0.287 32 I C 0.880 177.160 176.117 0.272 0.000 1.205 32 I CA 0.582 61.956 61.300 0.124 0.000 1.409 32 I CB 0.327 38.366 38.000 0.065 0.000 1.367 32 I HN 0.389 nan 8.210 nan 0.000 0.597 33 Q N 2.191 122.104 119.800 0.187 0.000 2.587 33 Q HA 0.317 4.657 4.340 0.001 0.000 0.293 33 Q C -1.208 174.809 176.000 0.027 0.000 1.083 33 Q CA -0.926 55.046 55.803 0.281 0.000 0.792 33 Q CB 1.903 30.775 28.738 0.223 0.000 1.484 33 Q HN 0.523 nan 8.270 nan 0.000 0.446 34 D N 0.315 120.731 120.400 0.028 0.000 3.133 34 D HA -0.145 4.495 4.640 0.001 0.000 0.239 34 D C -1.117 174.854 176.300 -0.549 0.000 1.136 34 D CA 0.615 54.500 54.000 -0.193 0.000 0.898 34 D CB -1.312 39.442 40.800 -0.077 0.000 0.959 34 D HN 0.410 nan 8.370 nan 0.000 0.415 35 C N 0.857 119.398 119.300 -1.265 0.000 2.848 35 C HA 0.784 5.244 4.460 0.001 0.000 0.317 35 C C -0.163 174.149 174.990 -1.129 0.000 1.260 35 C CA -0.761 57.466 59.018 -1.318 0.000 1.656 35 C CB 1.983 28.649 27.740 -1.789 0.000 2.174 35 C HN 0.454 nan 8.230 nan 0.000 0.479 36 L N 1.562 122.385 121.223 -0.667 0.000 2.422 36 L HA 0.722 5.062 4.340 0.001 0.000 0.264 36 L C -0.777 175.917 176.870 -0.294 0.000 0.984 36 L CA -0.259 54.326 54.840 -0.425 0.000 0.819 36 L CB 2.104 43.862 42.059 -0.501 0.000 1.330 36 L HN 0.465 nan 8.230 nan 0.000 0.410 37 V N 4.760 124.585 119.914 -0.149 0.000 2.325 37 V HA 0.432 4.552 4.120 0.001 0.000 0.280 37 V C -0.302 175.757 176.094 -0.059 0.000 1.016 37 V CA -0.551 61.696 62.300 -0.089 0.000 0.818 37 V CB 1.418 33.239 31.823 -0.003 0.000 1.019 37 V HN 0.468 nan 8.190 nan 0.000 0.434 38 L N 4.031 125.199 121.223 -0.092 0.000 2.265 38 L HA 0.687 5.027 4.340 0.001 0.000 0.288 38 L C -0.082 176.758 176.870 -0.050 0.000 1.058 38 L CA -0.294 54.503 54.840 -0.072 0.000 0.809 38 L CB 1.164 43.166 42.059 -0.095 0.000 1.179 38 L HN 0.541 nan 8.230 nan 0.000 0.429 39 E N 2.166 122.341 120.200 -0.042 0.000 2.210 39 E HA 0.520 4.871 4.350 0.001 0.000 0.266 39 E C 0.171 176.694 176.600 -0.128 0.000 0.883 39 E CA -0.326 56.036 56.400 -0.063 0.000 0.761 39 E CB 2.105 31.798 29.700 -0.012 0.000 1.156 39 E HN 0.555 nan 8.360 nan 0.000 0.412 40 A N 5.124 127.781 122.820 -0.272 0.000 1.929 40 A HA 0.025 4.346 4.320 0.001 0.000 0.216 40 A C 1.042 178.413 177.584 -0.356 0.000 1.176 40 A CA 0.838 52.581 52.037 -0.490 0.000 0.628 40 A CB -0.211 18.044 19.000 -1.241 0.000 0.816 40 A HN 0.610 nan 8.150 nan 0.000 0.444 41 R N 0.250 120.613 120.500 -0.228 0.000 2.747 41 R HA 0.201 4.541 4.340 0.001 0.000 0.278 41 R C -0.020 176.280 176.300 0.001 0.000 1.153 41 R CA 0.311 56.397 56.100 -0.024 0.000 1.206 41 R CB 0.105 30.443 30.300 0.063 0.000 1.161 41 R HN 0.476 nan 8.270 nan 0.000 0.589 42 D N 0.292 120.714 120.400 0.036 0.000 2.460 42 D HA 0.025 4.665 4.640 0.001 0.000 0.229 42 D C -0.200 176.122 176.300 0.037 0.000 1.170 42 D CA -0.221 53.798 54.000 0.032 0.000 0.827 42 D CB -0.012 40.808 40.800 0.034 0.000 0.973 42 D HN 0.477 nan 8.370 nan 0.000 0.496 43 R N -1.422 119.105 120.500 0.045 0.000 2.734 43 R HA 0.584 4.925 4.340 0.001 0.000 0.271 43 R C -0.933 175.406 176.300 0.064 0.000 1.021 43 R CA -1.070 55.062 56.100 0.053 0.000 0.893 43 R CB 1.100 31.437 30.300 0.062 0.000 1.244 43 R HN -0.101 nan 8.270 nan 0.000 0.464 44 V N -1.778 118.177 119.914 0.068 0.000 3.096 44 V HA 0.867 4.988 4.120 0.001 0.000 0.319 44 V C 0.885 177.032 176.094 0.089 0.000 1.082 44 V CA 0.422 62.771 62.300 0.082 0.000 1.022 44 V CB 0.853 32.729 31.823 0.087 0.000 1.103 44 V HN 1.228 nan 8.190 nan 0.000 0.455 45 G N -0.404 108.452 108.800 0.094 0.000 2.313 45 G HA2 0.078 4.039 3.960 0.001 0.000 0.215 45 G HA3 0.078 4.039 3.960 0.001 0.000 0.215 45 G C 1.710 176.657 174.900 0.078 0.000 1.023 45 G CA 0.798 45.947 45.100 0.082 0.000 0.626 45 G HN 2.688 nan 8.290 nan 0.000 0.503 46 G N 0.558 109.429 108.800 0.118 0.000 2.665 46 G HA2 -0.414 3.547 3.960 0.001 0.000 0.326 46 G HA3 -0.414 3.547 3.960 0.001 0.000 0.326 46 G C 0.914 175.892 174.900 0.129 0.000 1.231 46 G CA 1.476 46.661 45.100 0.142 0.000 0.992 46 G HN 1.213 nan 8.290 nan 0.000 0.549 47 R N 0.137 120.591 120.500 -0.077 0.000 2.339 47 R HA 0.233 4.574 4.340 0.001 0.000 0.199 47 R C 0.480 176.613 176.300 -0.279 0.000 1.018 47 R CA 0.142 55.979 56.100 -0.438 0.000 1.036 47 R CB -0.294 29.707 30.300 -0.497 0.000 0.899 47 R HN 0.331 nan 8.270 nan 0.000 0.473 48 L N 1.404 122.564 121.223 -0.105 0.000 2.277 48 L HA 0.320 4.661 4.340 0.001 0.000 0.284 48 L C -0.448 176.457 176.870 0.059 0.000 1.028 48 L CA -0.237 54.530 54.840 -0.121 0.000 0.835 48 L CB 1.311 43.252 42.059 -0.197 0.000 1.215 48 L HN 0.046 nan 8.230 nan 0.000 0.425 49 Q N 2.383 122.269 119.800 0.143 0.000 2.271 49 Q HA 0.393 4.734 4.340 0.001 0.000 0.268 49 Q C -1.464 174.622 176.000 0.144 0.000 1.021 49 Q CA -0.476 55.438 55.803 0.185 0.000 0.802 49 Q CB 2.727 31.650 28.738 0.308 0.000 1.282 49 Q HN 0.474 nan 8.270 nan 0.000 0.431 50 T N 3.048 117.662 114.554 0.100 0.000 2.771 50 T HA 0.499 4.849 4.350 0.001 0.000 0.281 50 T C -0.018 174.727 174.700 0.075 0.000 0.982 50 T CA -0.483 61.665 62.100 0.080 0.000 0.978 50 T CB 1.043 69.938 68.868 0.046 0.000 0.930 50 T HN 0.465 nan 8.240 nan 0.000 0.447 51 V N 1.228 121.200 119.914 0.098 0.000 3.096 51 V HA 0.858 4.978 4.120 0.001 0.000 0.319 51 V C -0.123 176.039 176.094 0.114 0.000 1.103 51 V CA -0.777 61.577 62.300 0.090 0.000 1.016 51 V CB 1.827 33.697 31.823 0.078 0.000 1.090 51 V HN 0.763 nan 8.190 nan 0.000 0.449 52 T N 1.777 116.387 114.554 0.093 0.000 2.823 52 T HA 0.804 5.154 4.350 0.001 0.000 0.279 52 T C 0.284 175.067 174.700 0.139 0.000 0.998 52 T CA 0.312 62.468 62.100 0.093 0.000 0.994 52 T CB 1.329 70.222 68.868 0.043 0.000 0.960 52 T HN 1.324 nan 8.240 nan 0.000 0.448 53 G N 0.512 109.437 108.800 0.208 0.000 3.257 53 G HA2 0.472 4.433 3.960 0.001 0.000 0.205 53 G HA3 0.472 4.433 3.960 0.001 0.000 0.205 53 G C -0.989 174.044 174.900 0.223 0.000 1.234 53 G CA -0.777 44.466 45.100 0.238 0.000 0.918 53 G HN 0.604 nan 8.290 nan 0.000 0.602 54 Y N 1.656 122.028 120.300 0.120 0.000 2.944 54 Y HA -0.024 4.527 4.550 0.001 0.000 0.340 54 Y C 1.488 177.441 175.900 0.090 0.000 1.275 54 Y CA 1.615 59.769 58.100 0.090 0.000 1.590 54 Y CB -0.149 38.368 38.460 0.094 0.000 1.218 54 Y HN 0.714 nan 8.280 nan 0.000 0.576 55 Q N 3.414 122.995 119.800 -0.366 0.000 2.461 55 Q HA -0.282 4.059 4.340 0.001 0.000 0.264 55 Q C 1.043 176.968 176.000 -0.125 0.000 1.085 55 Q CA 0.877 56.484 55.803 -0.325 0.000 1.006 55 Q CB -2.068 26.378 28.738 -0.488 0.000 1.437 55 Q HN 1.428 nan 8.270 nan 0.000 0.514 56 G N -0.067 108.703 108.800 -0.052 0.000 2.159 56 G HA2 -0.354 3.607 3.960 0.001 0.000 0.256 56 G HA3 -0.354 3.607 3.960 0.001 0.000 0.256 56 G C 0.056 174.935 174.900 -0.035 0.000 0.977 56 G CA 0.269 45.350 45.100 -0.031 0.000 0.652 56 G HN 0.353 nan 8.290 nan 0.000 0.531 57 R N 0.619 121.112 120.500 -0.012 0.000 2.442 57 R HA 0.417 4.757 4.340 0.001 0.000 0.291 57 R C 0.331 176.474 176.300 -0.262 0.000 1.069 57 R CA 0.209 56.233 56.100 -0.126 0.000 1.022 57 R CB 0.612 30.892 30.300 -0.034 0.000 0.976 57 R HN 0.218 nan 8.270 nan 0.000 0.443 58 K N 3.115 123.277 120.400 -0.397 0.000 2.159 58 K HA 0.326 4.647 4.320 0.001 0.000 0.266 58 K C -1.078 175.192 176.600 -0.550 0.000 0.975 58 K CA -0.519 55.581 56.287 -0.312 0.000 0.865 58 K CB 1.384 33.798 32.500 -0.144 0.000 1.087 58 K HN 0.400 nan 8.250 nan 0.000 0.446 59 Y N 0.032 120.349 120.300 0.029 0.000 2.492 59 Y HA 0.167 4.717 4.550 0.001 0.000 0.346 59 Y C -0.288 175.616 175.900 0.007 0.000 0.997 59 Y CA -1.203 56.914 58.100 0.028 0.000 1.025 59 Y CB 1.535 40.016 38.460 0.036 0.000 1.263 59 Y HN 0.453 nan 8.280 nan 0.000 0.454 60 D N 2.422 122.894 120.400 0.121 0.000 2.336 60 D HA 0.113 4.753 4.640 0.001 0.000 0.249 60 D C 0.471 176.842 176.300 0.120 0.000 1.213 60 D CA 0.249 54.289 54.000 0.066 0.000 0.870 60 D CB 1.588 42.354 40.800 -0.057 0.000 1.076 60 D HN 0.524 nan 8.370 nan 0.000 0.483 61 I N 2.431 123.107 120.570 0.178 0.000 3.578 61 I HA 0.104 4.274 4.170 0.001 0.000 0.295 61 I C 1.261 177.641 176.117 0.439 0.000 1.280 61 I CA 0.421 61.856 61.300 0.226 0.000 1.347 61 I CB 0.150 38.232 38.000 0.137 0.000 1.051 61 I HN 0.392 nan 8.210 nan 0.000 0.460 62 G N -0.680 108.327 108.800 0.344 0.000 3.414 62 G HA2 0.574 4.535 3.960 0.001 0.000 0.189 62 G HA3 0.574 4.535 3.960 0.001 0.000 0.189 62 G C -0.266 174.632 174.900 -0.005 0.000 1.329 62 G CA 0.040 45.234 45.100 0.157 0.000 0.851 62 G HN 0.315 nan 8.290 nan 0.000 0.671 63 A N -0.500 122.227 122.820 -0.155 0.000 2.540 63 A HA 0.499 4.820 4.320 0.001 0.000 0.239 63 A C 1.009 178.576 177.584 -0.028 0.000 1.061 63 A CA 0.971 52.906 52.037 -0.169 0.000 0.758 63 A CB 0.478 19.178 19.000 -0.500 0.000 0.991 63 A HN 0.526 nan 8.150 nan 0.000 0.502 64 S N 0.908 116.584 115.700 -0.040 0.000 2.670 64 S HA 0.181 4.651 4.470 0.001 0.000 0.241 64 S C 0.147 174.335 174.600 -0.686 0.000 1.077 64 S CA -0.229 57.678 58.200 -0.488 0.000 0.899 64 S CB 0.123 62.736 63.200 -0.977 0.000 0.835 64 S HN 0.770 nan 8.310 nan 0.000 0.481 65 W N 1.966 123.171 121.300 -0.158 0.000 2.655 65 W HA 0.484 5.145 4.660 0.001 0.000 0.358 65 W C -0.324 175.886 176.519 -0.514 0.000 1.100 65 W CA -0.550 56.583 57.345 -0.353 0.000 1.195 65 W CB 0.279 29.570 29.460 -0.281 0.000 1.403 65 W HN 0.125 nan 8.180 nan 0.000 0.589 66 H N 1.880 120.848 119.070 -0.171 0.000 2.597 66 H HA 0.219 4.776 4.556 0.001 0.000 0.303 66 H C 0.263 175.427 175.328 -0.274 0.000 1.057 66 H CA -0.074 55.846 56.048 -0.214 0.000 1.261 66 H CB 0.684 30.257 29.762 -0.315 0.000 1.397 66 H HN 0.198 nan 8.280 nan 0.000 0.461 67 H N 1.708 120.907 119.070 0.216 0.000 2.499 67 H HA 0.021 4.577 4.556 0.001 0.000 0.352 67 H C 0.373 175.725 175.328 0.039 0.000 1.237 67 H CA -0.370 55.788 56.048 0.184 0.000 1.343 67 H CB 0.848 30.809 29.762 0.332 0.000 1.578 67 H HN 0.636 nan 8.280 nan 0.000 0.577 68 D N 0.518 121.040 120.400 0.203 0.000 2.692 68 D HA -0.158 4.482 4.640 0.001 0.000 0.233 68 D C 1.115 177.351 176.300 -0.106 0.000 1.172 68 D CA 1.112 55.145 54.000 0.055 0.000 0.636 68 D CB -1.622 39.219 40.800 0.068 0.000 1.028 68 D HN 0.769 nan 8.370 nan 0.000 0.419 69 T N -3.055 111.379 114.554 -0.201 0.000 3.026 69 T HA -0.132 4.219 4.350 0.001 0.000 0.271 69 T C 1.955 176.631 174.700 -0.041 0.000 1.149 69 T CA 0.534 62.419 62.100 -0.358 0.000 1.088 69 T CB -0.043 68.364 68.868 -0.768 0.000 0.857 69 T HN 0.443 nan 8.240 nan 0.000 0.551 70 L N 1.143 122.362 121.223 -0.007 0.000 2.418 70 L HA 0.115 4.455 4.340 0.001 0.000 0.218 70 L C 2.788 179.671 176.870 0.022 0.000 1.125 70 L CA 1.307 56.168 54.840 0.036 0.000 0.835 70 L CB -0.222 41.858 42.059 0.035 0.000 0.953 70 L HN 0.572 nan 8.230 nan 0.000 0.454 71 T N -6.433 108.106 114.554 -0.026 0.000 3.010 71 T HA 0.048 4.398 4.350 0.001 0.000 0.252 71 T C 0.965 175.583 174.700 -0.137 0.000 0.963 71 T CA -0.378 61.696 62.100 -0.045 0.000 0.952 71 T CB -0.293 68.562 68.868 -0.022 0.000 1.182 71 T HN -0.027 nan 8.240 nan 0.000 0.495 72 N N 4.741 123.254 118.700 -0.311 0.000 2.202 72 N HA -0.007 4.733 4.740 0.001 0.000 0.283 72 N C -1.181 174.159 175.510 -0.284 0.000 1.391 72 N CA -0.919 51.764 53.050 -0.613 0.000 0.910 72 N CB 1.029 39.170 38.487 -0.576 0.000 1.267 72 N HN 0.255 nan 8.380 nan 0.000 0.493 73 P HA -0.185 nan 4.420 nan 0.000 0.218 73 P C 1.615 178.699 177.300 -0.360 0.000 1.149 73 P CA 0.578 63.617 63.100 -0.103 0.000 0.817 73 P CB 0.379 32.182 31.700 0.171 0.000 0.785 74 L N -0.416 120.422 121.223 -0.641 0.000 1.976 74 L HA -0.096 4.244 4.340 0.001 0.000 0.209 74 L C 2.559 179.148 176.870 -0.470 0.000 1.071 74 L CA 1.732 56.029 54.840 -0.904 0.000 0.746 74 L CB -1.857 39.709 42.059 -0.822 0.000 0.890 74 L HN -0.182 nan 8.230 nan 0.000 0.432 75 F N -0.084 119.585 119.950 -0.467 0.000 2.091 75 F HA -0.283 4.245 4.527 0.001 0.000 0.299 75 F C 2.089 177.632 175.800 -0.427 0.000 1.103 75 F CA 2.036 59.655 58.000 -0.636 0.000 1.228 75 F CB -0.551 38.069 39.000 -0.634 0.000 0.984 75 F HN 0.109 nan 8.300 nan 0.000 0.477 76 L N 0.147 121.082 121.223 -0.480 0.000 2.012 76 L HA -0.266 4.075 4.340 0.001 0.000 0.210 76 L C 2.586 179.242 176.870 -0.356 0.000 1.073 76 L CA 2.125 56.724 54.840 -0.401 0.000 0.748 76 L CB -0.969 41.003 42.059 -0.146 0.000 0.891 76 L HN 0.284 nan 8.230 nan 0.000 0.431 77 E N -0.017 120.016 120.200 -0.278 0.000 2.118 77 E HA -0.238 4.113 4.350 0.001 0.000 0.195 77 E C 2.045 178.532 176.600 -0.188 0.000 0.992 77 E CA 1.100 57.399 56.400 -0.168 0.000 0.804 77 E CB 0.157 29.794 29.700 -0.105 0.000 0.741 77 E HN 0.393 nan 8.360 nan 0.000 0.458 78 E N -0.010 120.013 120.200 -0.295 0.000 2.150 78 E HA -0.148 4.202 4.350 0.001 0.000 0.193 78 E C 1.928 178.459 176.600 -0.114 0.000 0.985 78 E CA 0.889 57.173 56.400 -0.193 0.000 0.814 78 E CB -0.098 29.467 29.700 -0.225 0.000 0.752 78 E HN 0.370 nan 8.360 nan 0.000 0.466 79 A N 1.249 123.887 122.820 -0.303 0.000 1.873 79 A HA -0.237 4.084 4.320 0.001 0.000 0.215 79 A C 2.202 179.743 177.584 -0.071 0.000 1.186 79 A CA 1.773 53.747 52.037 -0.105 0.000 0.616 79 A CB -0.517 18.274 19.000 -0.349 0.000 0.823 79 A HN 0.169 nan 8.150 nan 0.000 0.442 80 Q N 0.193 119.927 119.800 -0.111 0.000 2.077 80 Q HA -0.177 4.163 4.340 0.001 0.000 0.206 80 Q C 1.817 177.787 176.000 -0.049 0.000 0.989 80 Q CA 2.052 57.817 55.803 -0.063 0.000 0.853 80 Q CB -0.577 28.126 28.738 -0.057 0.000 0.907 80 Q HN 0.664 nan 8.270 nan 0.000 0.418 81 L N -0.443 120.746 121.223 -0.056 0.000 1.955 81 L HA -0.229 4.111 4.340 0.001 0.000 0.213 81 L C 2.473 179.306 176.870 -0.062 0.000 1.072 81 L CA 1.676 56.486 54.840 -0.049 0.000 0.755 81 L CB -0.854 41.176 42.059 -0.048 0.000 0.888 81 L HN 0.193 nan 8.230 nan 0.000 0.432 82 S N -0.027 115.620 115.700 -0.089 0.000 2.420 82 S HA -0.200 4.271 4.470 0.001 0.000 0.237 82 S C 1.765 176.318 174.600 -0.080 0.000 1.023 82 S CA 1.351 59.476 58.200 -0.124 0.000 0.991 82 S CB -0.365 62.690 63.200 -0.242 0.000 0.792 82 S HN 0.245 nan 8.310 nan 0.000 0.488 83 L N 1.985 123.179 121.223 -0.049 0.000 2.179 83 L HA 0.068 4.408 4.340 0.001 0.000 0.208 83 L C 1.610 178.463 176.870 -0.029 0.000 1.096 83 L CA 1.427 56.250 54.840 -0.029 0.000 0.779 83 L CB -0.576 41.474 42.059 -0.015 0.000 0.922 83 L HN 0.136 nan 8.230 nan 0.000 0.443 84 N N 0.274 118.955 118.700 -0.032 0.000 2.132 84 N HA -0.129 4.611 4.740 0.001 0.000 0.187 84 N C 1.270 176.762 175.510 -0.030 0.000 1.038 84 N CA 1.600 54.634 53.050 -0.027 0.000 0.846 84 N CB -0.465 38.008 38.487 -0.024 0.000 1.012 84 N HN 0.546 nan 8.380 nan 0.000 0.429 85 D N -0.883 119.494 120.400 -0.039 0.000 2.348 85 D HA 0.118 4.758 4.640 0.001 0.000 0.211 85 D C 1.083 177.355 176.300 -0.047 0.000 0.998 85 D CA 0.622 54.597 54.000 -0.040 0.000 0.873 85 D CB -0.453 40.322 40.800 -0.042 0.000 0.925 85 D HN 0.263 nan 8.370 nan 0.000 0.524 86 G N 0.621 109.387 108.800 -0.056 0.000 2.198 86 G HA2 -0.354 3.606 3.960 0.001 0.000 0.260 86 G HA3 -0.354 3.606 3.960 0.001 0.000 0.260 86 G C -0.038 174.815 174.900 -0.078 0.000 1.025 86 G CA 0.142 45.205 45.100 -0.062 0.000 0.769 86 G HN 0.482 nan 8.290 nan 0.000 0.507 87 R N -0.148 120.294 120.500 -0.096 0.000 2.486 87 R HA 0.538 4.878 4.340 0.001 0.000 0.286 87 R C 0.038 176.240 176.300 -0.164 0.000 0.999 87 R CA -0.450 55.587 56.100 -0.105 0.000 0.993 87 R CB 0.871 31.119 30.300 -0.088 0.000 1.084 87 R HN 0.117 nan 8.270 nan 0.000 0.487 88 T N 2.827 117.290 114.554 -0.151 0.000 2.779 88 T HA 0.146 4.496 4.350 0.001 0.000 0.296 88 T C 1.002 175.572 174.700 -0.218 0.000 0.938 88 T CA 0.001 61.979 62.100 -0.202 0.000 1.119 88 T CB 0.627 69.424 68.868 -0.119 0.000 0.891 88 T HN 0.463 nan 8.240 nan 0.000 0.526 89 R N 1.400 121.677 120.500 -0.371 0.000 2.435 89 R HA 0.266 4.606 4.340 0.001 0.000 0.221 89 R C -0.323 175.926 176.300 -0.083 0.000 0.885 89 R CA 0.223 56.186 56.100 -0.228 0.000 1.018 89 R CB 0.687 30.869 30.300 -0.196 0.000 1.259 89 R HN 0.668 nan 8.270 nan 0.000 0.597 90 F N -2.671 117.295 119.950 0.027 0.000 2.711 90 F HA 0.657 5.184 4.527 0.001 0.000 0.313 90 F C -1.273 174.594 175.800 0.112 0.000 1.141 90 F CA -1.686 56.347 58.000 0.054 0.000 0.941 90 F CB 1.228 40.286 39.000 0.098 0.000 1.349 90 F HN -0.339 nan 8.300 nan 0.000 0.464 91 V N 1.896 122.081 119.914 0.452 0.000 2.668 91 V HA 0.532 4.652 4.120 0.001 0.000 0.304 91 V C -1.599 174.699 176.094 0.339 0.000 1.071 91 V CA -0.795 61.743 62.300 0.396 0.000 0.894 91 V CB 1.582 33.565 31.823 0.267 0.000 1.008 91 V HN 0.683 nan 8.190 nan 0.000 0.425 92 F N 6.367 126.490 119.950 0.289 0.000 2.487 92 F HA 0.297 4.825 4.527 0.001 0.000 0.364 92 F C 1.328 177.234 175.800 0.176 0.000 1.126 92 F CA 0.006 58.129 58.000 0.205 0.000 1.135 92 F CB 0.708 39.795 39.000 0.145 0.000 1.127 92 F HN 0.738 nan 8.300 nan 0.000 0.559 93 D N 0.491 121.067 120.400 0.293 0.000 2.402 93 D HA 0.004 4.644 4.640 0.001 0.000 0.216 93 D C -0.132 176.272 176.300 0.174 0.000 1.128 93 D CA -0.191 53.935 54.000 0.211 0.000 0.833 93 D CB -0.327 40.574 40.800 0.168 0.000 0.971 93 D HN 0.214 nan 8.370 nan 0.000 0.503 94 D N 1.049 121.565 120.400 0.193 0.000 2.449 94 D HA 0.213 4.853 4.640 0.001 0.000 0.236 94 D C -0.104 176.270 176.300 0.124 0.000 1.149 94 D CA 0.782 54.876 54.000 0.156 0.000 0.878 94 D CB 1.233 42.128 40.800 0.160 0.000 1.198 94 D HN 0.171 nan 8.370 nan 0.000 0.446 95 D N -0.012 120.457 120.400 0.114 0.000 2.677 95 D HA 0.128 4.768 4.640 0.001 0.000 0.298 95 D C -1.080 175.288 176.300 0.115 0.000 1.250 95 D CA -0.579 53.462 54.000 0.068 0.000 0.888 95 D CB 1.257 42.054 40.800 -0.004 0.000 1.397 95 D HN 0.077 nan 8.370 nan 0.000 0.461 96 N N 1.023 119.762 118.700 0.066 0.000 2.420 96 N HA 0.145 4.885 4.740 0.001 0.000 0.262 96 N C -0.303 175.257 175.510 0.084 0.000 1.144 96 N CA 0.026 53.132 53.050 0.094 0.000 0.952 96 N CB 0.076 38.572 38.487 0.016 0.000 1.081 96 N HN 0.197 nan 8.380 nan 0.000 0.480 97 F N 2.015 121.875 119.950 -0.150 0.000 2.578 97 F HA 0.110 4.638 4.527 0.001 0.000 0.381 97 F C 1.271 176.825 175.800 -0.409 0.000 1.069 97 F CA -0.005 57.789 58.000 -0.344 0.000 1.231 97 F CB 0.194 38.808 39.000 -0.644 0.000 1.086 97 F HN 0.249 nan 8.300 nan 0.000 0.564 98 I N 5.321 125.740 120.570 -0.252 0.000 2.325 98 I HA 0.137 4.308 4.170 0.001 0.000 0.291 98 I C -0.784 175.228 176.117 -0.175 0.000 1.019 98 I CA -0.481 60.739 61.300 -0.133 0.000 1.302 98 I CB 0.603 38.559 38.000 -0.073 0.000 1.401 98 I HN 0.430 nan 8.210 nan 0.000 0.485 99 Y N 6.778 127.163 120.300 0.142 0.000 2.335 99 Y HA 0.562 5.112 4.550 0.001 0.000 0.338 99 Y C 0.004 175.968 175.900 0.107 0.000 0.977 99 Y CA -0.667 57.525 58.100 0.153 0.000 1.114 99 Y CB 1.539 40.088 38.460 0.150 0.000 1.182 99 Y HN 0.333 nan 8.280 nan 0.000 0.463 100 I N 3.020 123.761 120.570 0.285 0.000 2.436 100 I HA 0.240 4.411 4.170 0.001 0.000 0.289 100 I C -0.962 175.318 176.117 0.271 0.000 1.010 100 I CA -0.600 60.827 61.300 0.212 0.000 1.098 100 I CB 1.885 39.983 38.000 0.163 0.000 1.266 100 I HN 0.593 nan 8.210 nan 0.000 0.434 101 D N 3.750 124.255 120.400 0.175 0.000 2.181 101 D HA 0.135 4.775 4.640 0.001 0.000 0.248 101 D C 1.015 177.321 176.300 0.009 0.000 1.020 101 D CA -0.373 53.724 54.000 0.160 0.000 0.891 101 D CB 1.700 42.557 40.800 0.095 0.000 1.187 101 D HN 0.613 nan 8.370 nan 0.000 0.443 102 E N 1.570 121.558 120.200 -0.353 0.000 2.070 102 E HA -0.284 4.067 4.350 0.001 0.000 0.197 102 E C 1.173 177.555 176.600 -0.364 0.000 1.004 102 E CA 1.894 57.781 56.400 -0.854 0.000 0.805 102 E CB 0.177 28.892 29.700 -1.642 0.000 0.744 102 E HN 0.706 nan 8.360 nan 0.000 0.451 103 E N -0.374 119.686 120.200 -0.233 0.000 2.035 103 E HA -0.097 4.254 4.350 0.001 0.000 0.191 103 E C 2.334 178.897 176.600 -0.061 0.000 0.966 103 E CA 0.079 56.405 56.400 -0.125 0.000 0.823 103 E CB -0.503 29.145 29.700 -0.085 0.000 0.791 103 E HN -0.051 nan 8.360 nan 0.000 0.459 104 R N 1.400 121.883 120.500 -0.028 0.000 2.153 104 R HA -0.151 4.189 4.340 0.001 0.000 0.252 104 R C 1.061 177.331 176.300 -0.049 0.000 1.158 104 R CA 2.083 58.154 56.100 -0.048 0.000 0.975 104 R CB -0.893 29.323 30.300 -0.140 0.000 0.871 104 R HN 0.531 nan 8.270 nan 0.000 0.450 105 G N -1.024 107.757 108.800 -0.031 0.000 2.488 105 G HA2 -0.330 3.631 3.960 0.001 0.000 0.237 105 G HA3 -0.330 3.631 3.960 0.001 0.000 0.237 105 G C -1.042 173.864 174.900 0.010 0.000 1.209 105 G CA 0.059 45.159 45.100 -0.000 0.000 0.929 105 G HN 0.402 nan 8.290 nan 0.000 0.578 106 R N 0.313 120.826 120.500 0.021 0.000 2.522 106 R HA 0.327 4.668 4.340 0.001 0.000 0.284 106 R C 1.295 177.606 176.300 0.018 0.000 1.032 106 R CA 0.706 56.834 56.100 0.046 0.000 1.049 106 R CB 0.673 31.004 30.300 0.052 0.000 0.956 106 R HN 1.199 nan 8.270 nan 0.000 0.422 107 V N -1.653 118.289 119.914 0.047 0.000 3.330 107 V HA 0.091 4.211 4.120 0.001 0.000 0.309 107 V C 0.142 176.287 176.094 0.085 0.000 1.481 107 V CA -0.457 61.833 62.300 -0.018 0.000 1.068 107 V CB 0.021 31.738 31.823 -0.178 0.000 0.935 107 V HN 0.668 nan 8.190 nan 0.000 0.453 108 D N 0.053 120.576 120.400 0.205 0.000 2.329 108 D HA 0.156 4.797 4.640 0.001 0.000 0.246 108 D C 0.426 176.881 176.300 0.258 0.000 1.111 108 D CA -0.320 53.865 54.000 0.309 0.000 0.941 108 D CB 0.547 41.582 40.800 0.392 0.000 1.169 108 D HN 0.388 nan 8.370 nan 0.000 0.441 109 H N -0.488 118.659 119.070 0.129 0.000 2.506 109 H HA -0.219 4.338 4.556 0.001 0.000 0.323 109 H C -1.090 174.273 175.328 0.058 0.000 1.076 109 H CA 1.002 57.101 56.048 0.084 0.000 1.108 109 H CB -0.956 28.853 29.762 0.079 0.000 1.569 109 H HN 0.422 nan 8.280 nan 0.000 0.399 110 D N 1.184 121.579 120.400 -0.008 0.000 2.256 110 D HA 0.104 4.745 4.640 0.001 0.000 0.240 110 D C 1.137 177.394 176.300 -0.071 0.000 1.062 110 D CA -0.231 53.752 54.000 -0.028 0.000 0.832 110 D CB 0.828 41.624 40.800 -0.006 0.000 1.135 110 D HN 0.710 nan 8.370 nan 0.000 0.484 111 K N 1.649 122.005 120.400 -0.074 0.000 2.519 111 K HA -0.113 4.207 4.320 0.001 0.000 0.196 111 K C 1.179 177.761 176.600 -0.029 0.000 1.041 111 K CA 1.165 57.413 56.287 -0.066 0.000 0.954 111 K CB 0.129 32.600 32.500 -0.048 0.000 0.774 111 K HN 0.377 nan 8.250 nan 0.000 0.480 112 E N 1.746 121.937 120.200 -0.015 0.000 2.306 112 E HA 0.169 4.519 4.350 0.001 0.000 0.201 112 E C 1.906 178.516 176.600 0.017 0.000 0.874 112 E CA 0.164 56.566 56.400 0.004 0.000 0.972 112 E CB -0.449 29.256 29.700 0.010 0.000 0.957 112 E HN 0.241 nan 8.360 nan 0.000 0.492 113 L N -0.014 121.217 121.223 0.013 0.000 2.072 113 L HA 0.177 4.518 4.340 0.001 0.000 0.205 113 L C 1.022 177.912 176.870 0.034 0.000 1.079 113 L CA 0.663 55.522 54.840 0.031 0.000 0.752 113 L CB -0.401 41.662 42.059 0.008 0.000 0.906 113 L HN 0.320 nan 8.230 nan 0.000 0.436 114 L N -0.029 121.201 121.223 0.012 0.000 3.742 114 L HA -0.279 4.061 4.340 0.001 0.000 0.431 114 L C 1.440 178.331 176.870 0.034 0.000 1.220 114 L CA -0.236 54.612 54.840 0.013 0.000 0.863 114 L CB -1.649 40.419 42.059 0.015 0.000 1.751 114 L HN 0.313 nan 8.230 nan 0.000 0.922 115 L N -0.648 120.592 121.223 0.029 0.000 2.012 115 L HA -0.228 4.112 4.340 0.001 0.000 0.210 115 L C 2.326 179.206 176.870 0.018 0.000 1.073 115 L CA 1.985 56.837 54.840 0.020 0.000 0.748 115 L CB -0.202 41.839 42.059 -0.031 0.000 0.891 115 L HN 0.420 nan 8.230 nan 0.000 0.431 116 E N 0.300 120.517 120.200 0.028 0.000 2.160 116 E HA -0.192 4.159 4.350 0.001 0.000 0.195 116 E C 2.110 178.740 176.600 0.050 0.000 0.991 116 E CA 1.120 57.548 56.400 0.047 0.000 0.810 116 E CB -0.208 29.548 29.700 0.093 0.000 0.742 116 E HN 0.473 nan 8.360 nan 0.000 0.466 117 I N 0.227 120.826 120.570 0.048 0.000 2.233 117 I HA -0.205 3.966 4.170 0.001 0.000 0.243 117 I C 2.238 178.386 176.117 0.052 0.000 1.093 117 I CA 1.028 62.356 61.300 0.046 0.000 1.380 117 I CB -0.403 37.621 38.000 0.040 0.000 1.067 117 I HN 0.099 nan 8.210 nan 0.000 0.413 118 V N -1.414 118.540 119.914 0.066 0.000 2.626 118 V HA -0.232 3.889 4.120 0.001 0.000 0.252 118 V C 2.032 178.143 176.094 0.029 0.000 1.067 118 V CA 2.093 64.447 62.300 0.089 0.000 1.081 118 V CB -0.915 30.995 31.823 0.144 0.000 0.686 118 V HN 0.360 nan 8.190 nan 0.000 0.468 119 D N 1.269 121.690 120.400 0.035 0.000 2.149 119 D HA -0.258 4.382 4.640 0.001 0.000 0.198 119 D C 2.120 178.436 176.300 0.027 0.000 0.990 119 D CA 1.717 55.742 54.000 0.041 0.000 0.839 119 D CB -0.377 40.480 40.800 0.096 0.000 0.948 119 D HN 0.513 nan 8.370 nan 0.000 0.460 120 N N 0.475 119.193 118.700 0.029 0.000 2.142 120 N HA -0.205 4.535 4.740 0.001 0.000 0.186 120 N C 1.747 177.244 175.510 -0.022 0.000 1.023 120 N CA 1.141 54.200 53.050 0.014 0.000 0.852 120 N CB -0.170 38.332 38.487 0.025 0.000 0.998 120 N HN 0.394 nan 8.380 nan 0.000 0.424 121 E N -0.118 120.076 120.200 -0.010 0.000 2.110 121 E HA -0.159 4.191 4.350 0.001 0.000 0.193 121 E C 2.146 178.697 176.600 -0.081 0.000 0.988 121 E CA 0.737 57.143 56.400 0.011 0.000 0.804 121 E CB 0.029 29.791 29.700 0.103 0.000 0.745 121 E HN 0.307 nan 8.360 nan 0.000 0.458 122 M N 0.749 120.170 119.600 -0.300 0.000 2.065 122 M HA -0.179 4.301 4.480 0.001 0.000 0.259 122 M C 2.627 178.793 176.300 -0.223 0.000 1.069 122 M CA 2.045 57.022 55.300 -0.538 0.000 1.110 122 M CB -0.683 31.601 32.600 -0.526 0.000 1.328 122 M HN 0.205 nan 8.290 nan 0.000 0.405 123 S N -0.073 115.466 115.700 -0.268 0.000 2.368 123 S HA -0.193 4.277 4.470 0.001 0.000 0.225 123 S C 1.824 176.173 174.600 -0.418 0.000 1.030 123 S CA 1.561 59.353 58.200 -0.681 0.000 0.999 123 S CB -0.497 62.418 63.200 -0.475 0.000 0.844 123 S HN 0.303 nan 8.310 nan 0.000 0.459 124 K N 1.448 121.740 120.400 -0.180 0.000 2.097 124 K HA -0.021 4.299 4.320 0.001 0.000 0.206 124 K C 1.722 178.291 176.600 -0.052 0.000 1.049 124 K CA 1.368 57.598 56.287 -0.095 0.000 0.933 124 K CB -0.981 31.503 32.500 -0.027 0.000 0.717 124 K HN 0.430 nan 8.250 nan 0.000 0.442 125 F N 0.521 120.391 119.950 -0.133 0.000 2.171 125 F HA -0.094 4.433 4.527 0.001 0.000 0.300 125 F C 1.798 177.530 175.800 -0.112 0.000 1.090 125 F CA 1.588 59.552 58.000 -0.060 0.000 1.293 125 F CB -0.534 38.500 39.000 0.057 0.000 1.013 125 F HN 0.089 nan 8.300 nan 0.000 0.486 126 A N 0.036 122.769 122.820 -0.145 0.000 1.898 126 A HA -0.199 4.121 4.320 0.001 0.000 0.216 126 A C 2.276 179.755 177.584 -0.175 0.000 1.181 126 A CA 1.614 53.552 52.037 -0.164 0.000 0.620 126 A CB -1.049 17.889 19.000 -0.104 0.000 0.819 126 A HN 0.567 nan 8.150 nan 0.000 0.442 127 E N 0.018 120.110 120.200 -0.180 0.000 2.038 127 E HA -0.195 4.155 4.350 0.001 0.000 0.195 127 E C 1.904 178.425 176.600 -0.130 0.000 1.000 127 E CA 1.379 57.721 56.400 -0.097 0.000 0.803 127 E CB -0.252 29.387 29.700 -0.102 0.000 0.750 127 E HN 0.608 nan 8.360 nan 0.000 0.448 128 L N 0.633 121.735 121.223 -0.201 0.000 2.265 128 L HA -0.165 4.175 4.340 0.001 0.000 0.215 128 L C 2.561 179.231 176.870 -0.334 0.000 1.117 128 L CA 1.026 55.736 54.840 -0.217 0.000 0.782 128 L CB -0.293 41.650 42.059 -0.193 0.000 0.914 128 L HN 0.194 nan 8.230 nan 0.000 0.441 129 E N 0.286 120.153 120.200 -0.555 0.000 2.072 129 E HA -0.146 4.204 4.350 0.001 0.000 0.190 129 E C 1.695 177.865 176.600 -0.716 0.000 0.982 129 E CA 1.711 57.627 56.400 -0.807 0.000 0.803 129 E CB 0.008 28.948 29.700 -1.267 0.000 0.755 129 E HN 0.437 nan 8.360 nan 0.000 0.453 130 F N -2.414 117.468 119.950 -0.113 0.000 2.536 130 F HA 0.204 4.731 4.527 0.001 0.000 0.278 130 F C 2.785 178.558 175.800 -0.046 0.000 0.945 130 F CA 0.684 58.650 58.000 -0.057 0.000 1.244 130 F CB -0.962 38.024 39.000 -0.024 0.000 1.118 130 F HN 0.195 nan 8.300 nan 0.000 0.725 131 H N -0.053 119.112 119.070 0.160 0.000 2.554 131 H HA 0.195 4.751 4.556 0.001 0.000 0.290 131 H C 1.630 176.974 175.328 0.027 0.000 1.058 131 H CA 1.744 57.837 56.048 0.075 0.000 1.224 131 H CB -1.235 28.555 29.762 0.048 0.000 1.359 131 H HN 0.412 nan 8.280 nan 0.000 0.589 132 Q N -1.631 118.169 119.800 -0.001 0.000 2.086 132 Q HA 0.488 4.829 4.340 0.001 0.000 0.220 132 Q C 0.423 176.409 176.000 -0.023 0.000 0.792 132 Q CA 0.942 56.733 55.803 -0.020 0.000 1.062 132 Q CB -1.054 nan 28.738 nan 0.000 1.198 132 Q HN 1.680 nan 8.270 nan 0.000 0.466 133 H N -0.266 118.801 119.070 -0.005 0.000 3.221 133 H HA 0.635 5.191 4.556 0.001 0.000 0.324 133 H C -0.603 174.743 175.328 0.030 0.000 1.212 133 H CA -0.595 55.449 56.048 -0.006 0.000 1.624 133 H CB -0.216 nan 29.762 nan 0.000 1.899 133 H HN 0.387 nan 8.280 nan 0.000 0.538 134 L N 1.454 122.695 121.223 0.029 0.000 2.467 134 L HA 0.406 4.747 4.340 0.001 0.000 0.270 134 L C 1.825 178.718 176.870 0.039 0.000 1.205 134 L CA 1.762 56.626 54.840 0.040 0.000 0.828 134 L CB 1.086 43.161 42.059 0.027 0.000 1.101 134 L HN 1.236 nan 8.230 nan 0.000 0.479 135 G N 1.593 110.422 108.800 0.048 0.000 2.268 135 G HA2 -0.258 3.702 3.960 0.001 0.000 0.240 135 G HA3 -0.258 3.702 3.960 0.001 0.000 0.240 135 G C 0.160 175.097 174.900 0.061 0.000 1.010 135 G CA -0.026 45.101 45.100 0.045 0.000 0.618 135 G HN 0.400 nan 8.290 nan 0.000 0.516 136 V N 2.406 122.371 119.914 0.085 0.000 2.617 136 V HA 0.390 4.511 4.120 0.001 0.000 0.304 136 V C 1.369 177.557 176.094 0.156 0.000 1.040 136 V CA 0.782 63.151 62.300 0.116 0.000 1.149 136 V CB 1.206 33.115 31.823 0.142 0.000 0.914 136 V HN 0.451 nan 8.190 nan 0.000 0.487 137 S N 2.634 118.413 115.700 0.132 0.000 2.596 137 S HA 0.011 4.482 4.470 0.001 0.000 0.260 137 S C 1.120 175.828 174.600 0.180 0.000 1.336 137 S CA -0.180 58.094 58.200 0.123 0.000 0.993 137 S CB 0.729 63.984 63.200 0.091 0.000 0.923 137 S HN 0.983 nan 8.310 nan 0.000 0.567 138 D N 0.152 120.618 120.400 0.110 0.000 2.162 138 D HA -0.016 4.625 4.640 0.001 0.000 0.205 138 D C 1.004 177.379 176.300 0.125 0.000 0.964 138 D CA 1.035 55.077 54.000 0.071 0.000 0.847 138 D CB -0.534 40.265 40.800 -0.002 0.000 0.988 138 D HN 0.870 nan 8.370 nan 0.000 0.480 139 C N 0.145 119.514 119.300 0.115 0.000 0.168 139 C HA -0.094 4.366 4.460 0.001 0.000 0.017 139 C C 0.704 175.767 174.990 0.122 0.000 0.171 139 C CA -0.804 58.284 59.018 0.116 0.000 0.499 139 C CB -2.163 25.660 27.740 0.138 0.000 3.212 139 C HN 0.546 nan 8.230 nan 0.000 1.118 140 S N 2.032 117.798 115.700 0.110 0.000 2.632 140 S HA 0.498 4.968 4.470 0.001 0.000 0.267 140 S C 0.517 175.242 174.600 0.208 0.000 1.276 140 S CA 0.170 58.450 58.200 0.132 0.000 0.998 140 S CB 0.731 63.986 63.200 0.093 0.000 0.953 140 S HN 1.858 nan 8.310 nan 0.000 0.547 141 F N 1.139 121.139 119.950 0.083 0.000 2.161 141 F HA -0.111 4.416 4.527 0.001 0.000 0.300 141 F C 1.830 177.709 175.800 0.132 0.000 1.089 141 F CA 1.555 59.631 58.000 0.127 0.000 1.282 141 F CB -0.237 38.841 39.000 0.131 0.000 1.010 141 F HN 0.738 nan 8.300 nan 0.000 0.485 142 F N 1.790 121.540 119.950 -0.334 0.000 2.095 142 F HA -0.265 4.262 4.527 0.001 0.000 0.298 142 F C 2.364 177.884 175.800 -0.467 0.000 1.104 142 F CA 2.142 59.641 58.000 -0.834 0.000 1.232 142 F CB -0.965 37.322 39.000 -1.190 0.000 0.987 142 F HN 0.045 nan 8.300 nan 0.000 0.475 143 Q N -0.214 119.358 119.800 -0.381 0.000 2.226 143 Q HA -0.177 4.164 4.340 0.001 0.000 0.204 143 Q C 2.128 178.015 176.000 -0.188 0.000 0.975 143 Q CA 1.463 57.051 55.803 -0.357 0.000 0.866 143 Q CB -0.359 28.328 28.738 -0.085 0.000 0.915 143 Q HN 0.487 nan 8.270 nan 0.000 0.440 144 L N -0.268 120.940 121.223 -0.024 0.000 2.072 144 L HA -0.110 4.231 4.340 0.001 0.000 0.205 144 L C 2.019 178.955 176.870 0.111 0.000 1.079 144 L CA 1.180 56.128 54.840 0.180 0.000 0.752 144 L CB -0.200 42.116 42.059 0.428 0.000 0.906 144 L HN -0.032 nan 8.230 nan 0.000 0.436 145 V N -0.518 119.333 119.914 -0.105 0.000 2.343 145 V HA -0.294 3.826 4.120 0.001 0.000 0.247 145 V C 2.586 178.635 176.094 -0.075 0.000 1.051 145 V CA 1.722 63.975 62.300 -0.078 0.000 1.036 145 V CB -0.624 31.103 31.823 -0.161 0.000 0.654 145 V HN 0.391 nan 8.190 nan 0.000 0.451 146 M N -0.222 119.203 119.600 -0.291 0.000 2.159 146 M HA -0.163 4.317 4.480 0.001 0.000 0.263 146 M C 2.180 178.386 176.300 -0.157 0.000 1.063 146 M CA 1.651 56.794 55.300 -0.262 0.000 1.110 146 M CB -1.183 31.130 32.600 -0.479 0.000 1.374 146 M HN 0.317 nan 8.290 nan 0.000 0.411 147 K N -0.550 119.791 120.400 -0.100 0.000 2.147 147 K HA -0.215 4.105 4.320 0.001 0.000 0.205 147 K C 2.110 178.643 176.600 -0.112 0.000 1.049 147 K CA 1.259 57.532 56.287 -0.022 0.000 0.936 147 K CB -0.190 32.384 32.500 0.124 0.000 0.722 147 K HN 0.282 nan 8.250 nan 0.000 0.446 148 Y N 1.326 121.413 120.300 -0.356 0.000 2.200 148 Y HA -0.137 4.413 4.550 0.001 0.000 0.290 148 Y C 1.675 177.325 175.900 -0.417 0.000 1.137 148 Y CA 1.311 58.928 58.100 -0.805 0.000 1.163 148 Y CB -0.212 37.788 38.460 -0.768 0.000 0.988 148 Y HN -0.040 nan 8.280 nan 0.000 0.518 149 L N -0.696 120.319 121.223 -0.347 0.000 2.046 149 L HA -0.227 4.114 4.340 0.001 0.000 0.208 149 L C 2.363 179.031 176.870 -0.336 0.000 1.077 149 L CA 0.969 55.614 54.840 -0.324 0.000 0.747 149 L CB -0.717 41.303 42.059 -0.064 0.000 0.896 149 L HN 0.279 nan 8.230 nan 0.000 0.432 150 L N -0.250 120.814 121.223 -0.265 0.000 2.046 150 L HA -0.240 4.100 4.340 0.001 0.000 0.208 150 L C 2.676 179.408 176.870 -0.229 0.000 1.077 150 L CA 1.736 56.446 54.840 -0.216 0.000 0.747 150 L CB -0.613 41.352 42.059 -0.156 0.000 0.896 150 L HN 0.303 nan 8.230 nan 0.000 0.432 151 Q N -1.064 118.578 119.800 -0.262 0.000 2.172 151 Q HA -0.124 4.216 4.340 0.001 0.000 0.200 151 Q C 1.226 177.094 176.000 -0.220 0.000 0.964 151 Q CA 0.921 56.608 55.803 -0.194 0.000 0.855 151 Q CB 0.224 28.896 28.738 -0.111 0.000 0.918 151 Q HN 0.308 nan 8.270 nan 0.000 0.444 152 R N 0.266 120.525 120.500 -0.402 0.000 2.472 152 R HA 0.099 4.439 4.340 0.001 0.000 0.279 152 R C 1.724 177.842 176.300 -0.304 0.000 0.953 152 R CA 0.106 56.043 56.100 -0.272 0.000 1.088 152 R CB 0.030 30.062 30.300 -0.448 0.000 1.197 152 R HN 0.372 nan 8.270 nan 0.000 0.536 153 R N 0.969 121.268 120.500 -0.336 0.000 2.133 153 R HA -0.229 4.111 4.340 0.001 0.000 0.247 153 R C 1.633 177.725 176.300 -0.347 0.000 1.151 153 R CA 1.781 57.710 56.100 -0.285 0.000 0.971 153 R CB -0.487 29.665 30.300 -0.246 0.000 0.866 153 R HN 0.242 nan 8.270 nan 0.000 0.447 154 Q N 0.522 119.971 119.800 -0.586 0.000 2.291 154 Q HA -0.103 4.237 4.340 0.001 0.000 0.206 154 Q C 0.326 175.862 176.000 -0.774 0.000 0.976 154 Q CA 1.323 56.649 55.803 -0.794 0.000 0.875 154 Q CB 0.046 28.070 28.738 -1.189 0.000 0.927 154 Q HN 0.588 nan 8.270 nan 0.000 0.450 155 F N 0.253 120.158 119.950 -0.075 0.000 2.772 155 F HA 0.377 4.905 4.527 0.001 0.000 0.302 155 F C -0.536 175.243 175.800 -0.035 0.000 1.136 155 F CA -0.568 57.403 58.000 -0.048 0.000 1.322 155 F CB 0.619 39.594 39.000 -0.042 0.000 0.967 155 F HN -0.125 nan 8.300 nan 0.000 0.513 156 L N 0.134 121.375 121.223 0.030 0.000 2.388 156 L HA 0.557 4.898 4.340 0.001 0.000 0.264 156 L C 0.306 177.187 176.870 0.018 0.000 0.998 156 L CA -0.990 53.875 54.840 0.041 0.000 0.817 156 L CB 2.467 44.534 42.059 0.013 0.000 1.338 156 L HN 0.073 nan 8.230 nan 0.000 0.414 157 T N -2.915 111.666 114.554 0.045 0.000 2.847 157 T HA 0.243 4.593 4.350 0.001 0.000 0.279 157 T C 0.741 175.466 174.700 0.042 0.000 0.984 157 T CA -0.464 61.658 62.100 0.037 0.000 0.988 157 T CB 0.906 69.805 68.868 0.052 0.000 1.040 157 T HN 0.628 nan 8.240 nan 0.000 0.528 158 N N 0.407 119.128 118.700 0.035 0.000 2.069 158 N HA -0.149 4.591 4.740 0.001 0.000 0.191 158 N C 1.193 176.747 175.510 0.072 0.000 1.031 158 N CA 1.329 54.401 53.050 0.037 0.000 0.852 158 N CB -0.153 38.349 38.487 0.024 0.000 1.018 158 N HN 0.631 nan 8.380 nan 0.000 0.423 159 D N 0.796 121.262 120.400 0.110 0.000 2.263 159 D HA -0.122 4.519 4.640 0.001 0.000 0.208 159 D C 1.841 178.290 176.300 0.249 0.000 0.971 159 D CA 0.963 55.088 54.000 0.208 0.000 0.867 159 D CB -0.068 40.883 40.800 0.252 0.000 0.929 159 D HN 0.441 nan 8.370 nan 0.000 0.492 160 Q N -0.039 119.861 119.800 0.166 0.000 2.062 160 Q HA 0.028 4.368 4.340 0.001 0.000 0.196 160 Q C 2.476 178.571 176.000 0.159 0.000 0.967 160 Q CA 0.490 56.391 55.803 0.164 0.000 0.832 160 Q CB 0.150 28.965 28.738 0.129 0.000 0.899 160 Q HN 0.298 nan 8.270 nan 0.000 0.442 161 I N 0.757 121.407 120.570 0.133 0.000 2.335 161 I HA -0.299 3.872 4.170 0.001 0.000 0.251 161 I C 2.659 178.923 176.117 0.245 0.000 1.129 161 I CA 1.147 62.552 61.300 0.174 0.000 1.402 161 I CB -0.181 37.882 38.000 0.105 0.000 1.069 161 I HN 0.166 nan 8.210 nan 0.000 0.424 162 R N 0.159 120.728 120.500 0.115 0.000 2.066 162 R HA -0.128 4.212 4.340 0.001 0.000 0.224 162 R C 2.105 178.248 176.300 -0.261 0.000 1.122 162 R CA 1.427 57.483 56.100 -0.074 0.000 0.974 162 R CB -0.184 29.953 30.300 -0.273 0.000 0.871 162 R HN 0.264 nan 8.270 nan 0.000 0.435 163 Y N -0.104 120.221 120.300 0.043 0.000 2.503 163 Y HA -0.011 4.540 4.550 0.001 0.000 0.278 163 Y C 1.862 177.760 175.900 -0.003 0.000 1.111 163 Y CA -0.013 58.092 58.100 0.007 0.000 1.270 163 Y CB 0.119 38.588 38.460 0.014 0.000 1.063 163 Y HN 0.097 nan 8.280 nan 0.000 0.548 164 L N 2.292 123.613 121.223 0.162 0.000 1.970 164 L HA -0.104 4.237 4.340 0.001 0.000 0.212 164 L C -0.611 176.307 176.870 0.080 0.000 1.071 164 L CA 1.951 56.861 54.840 0.118 0.000 0.751 164 L CB -1.673 40.479 42.059 0.155 0.000 0.889 164 L HN -0.042 nan 8.230 nan 0.000 0.432 165 P HA -0.206 nan 4.420 nan 0.000 0.217 165 P C 1.068 178.310 177.300 -0.098 0.000 1.148 165 P CA 1.448 64.595 63.100 0.078 0.000 0.828 165 P CB -0.149 31.635 31.700 0.141 0.000 0.783 166 Q N -0.688 119.047 119.800 -0.109 0.000 2.245 166 Q HA 0.029 4.370 4.340 0.001 0.000 0.201 166 Q C 2.330 178.298 176.000 -0.054 0.000 0.955 166 Q CA 0.563 56.273 55.803 -0.154 0.000 0.870 166 Q CB -0.861 27.848 28.738 -0.049 0.000 0.945 166 Q HN 0.349 nan 8.270 nan 0.000 0.461 167 L N 0.606 121.827 121.223 -0.003 0.000 2.095 167 L HA -0.102 4.238 4.340 0.001 0.000 0.204 167 L C 2.421 179.363 176.870 0.119 0.000 1.080 167 L CA 1.293 56.129 54.840 -0.007 0.000 0.759 167 L CB -0.245 41.712 42.059 -0.169 0.000 0.914 167 L HN 0.339 nan 8.230 nan 0.000 0.439 168 C N -0.939 118.402 119.300 0.068 0.000 2.430 168 C HA -0.019 4.441 4.460 0.001 0.000 0.288 168 C C 2.397 177.317 174.990 -0.116 0.000 1.448 168 C CA -0.058 58.978 59.018 0.029 0.000 1.784 168 C CB -1.738 26.090 27.740 0.147 0.000 1.776 168 C HN 0.448 nan 8.230 nan 0.000 0.547 169 R N 0.301 120.768 120.500 -0.055 0.000 2.339 169 R HA -0.000 4.340 4.340 0.001 0.000 0.199 169 R C 1.696 177.993 176.300 -0.005 0.000 1.018 169 R CA 1.007 57.067 56.100 -0.067 0.000 1.036 169 R CB -0.429 29.671 30.300 -0.332 0.000 0.899 169 R HN 0.941 nan 8.270 nan 0.000 0.473 170 Y N -1.475 118.898 120.300 0.121 0.000 2.403 170 Y HA -0.086 4.464 4.550 0.001 0.000 0.291 170 Y C 1.508 177.496 175.900 0.145 0.000 1.143 170 Y CA 0.555 58.733 58.100 0.131 0.000 1.257 170 Y CB -0.632 37.915 38.460 0.144 0.000 0.984 170 Y HN -0.052 nan 8.280 nan 0.000 0.550 171 L N 0.639 121.647 121.223 -0.359 0.000 2.265 171 L HA -0.159 4.181 4.340 0.001 0.000 0.215 171 L C 2.323 179.292 176.870 0.166 0.000 1.117 171 L CA 1.366 56.123 54.840 -0.138 0.000 0.782 171 L CB -0.543 41.154 42.059 -0.603 0.000 0.914 171 L HN 0.337 nan 8.230 nan 0.000 0.441 172 E N -0.000 120.283 120.200 0.139 0.000 2.118 172 E HA -0.198 4.152 4.350 0.001 0.000 0.195 172 E C 1.600 178.343 176.600 0.239 0.000 0.992 172 E CA 0.818 57.339 56.400 0.201 0.000 0.804 172 E CB 0.023 29.809 29.700 0.144 0.000 0.741 172 E HN 0.325 nan 8.360 nan 0.000 0.458 173 L N -0.882 120.465 121.223 0.205 0.000 2.627 173 L HA -0.031 4.309 4.340 0.001 0.000 0.233 173 L C 1.050 177.975 176.870 0.091 0.000 1.144 173 L CA 0.886 55.822 54.840 0.159 0.000 0.892 173 L CB -1.081 41.059 42.059 0.135 0.000 1.039 173 L HN 0.279 nan 8.230 nan 0.000 0.442 174 W N -1.313 120.079 121.300 0.152 0.000 2.762 174 W HA 0.083 4.743 4.660 0.001 0.000 0.265 174 W C 2.438 179.000 176.519 0.072 0.000 1.263 174 W CA 0.291 57.687 57.345 0.085 0.000 1.411 174 W CB 0.302 29.749 29.460 -0.022 0.000 1.065 174 W HN 0.222 nan 8.180 nan 0.000 0.609 175 H N -1.720 117.601 119.070 0.418 0.000 2.729 175 H HA 0.252 4.808 4.556 0.001 0.000 0.263 175 H C 1.800 177.190 175.328 0.103 0.000 0.961 175 H CA 0.989 57.230 56.048 0.321 0.000 1.217 175 H CB 0.591 30.486 29.762 0.223 0.000 1.447 175 H HN 0.095 nan 8.280 nan 0.000 0.496 176 G N 1.433 110.362 108.800 0.216 0.000 2.160 176 G HA2 -0.221 3.739 3.960 0.001 0.000 0.244 176 G HA3 -0.221 3.739 3.960 0.001 0.000 0.244 176 G C -0.558 174.405 174.900 0.106 0.000 1.022 176 G CA 0.018 45.163 45.100 0.075 0.000 0.741 176 G HN 0.106 nan 8.290 nan 0.000 0.508 177 L N 0.583 121.911 121.223 0.176 0.000 2.431 177 L HA 0.520 4.860 4.340 0.001 0.000 0.266 177 L C 0.078 177.054 176.870 0.176 0.000 0.978 177 L CA -1.476 53.465 54.840 0.168 0.000 0.822 177 L CB 1.804 43.980 42.059 0.195 0.000 1.310 177 L HN 0.308 nan 8.230 nan 0.000 0.409 178 D N 1.921 122.416 120.400 0.158 0.000 2.423 178 D HA -0.096 4.544 4.640 0.001 0.000 0.238 178 D C 0.706 177.211 176.300 0.342 0.000 1.142 178 D CA -0.218 53.911 54.000 0.216 0.000 0.884 178 D CB 1.014 41.919 40.800 0.175 0.000 1.199 178 D HN 0.621 nan 8.370 nan 0.000 0.438 179 W N 4.549 125.916 121.300 0.111 0.000 2.538 179 W HA -0.050 4.611 4.660 0.001 0.000 0.254 179 W C 0.837 177.438 176.519 0.138 0.000 1.249 179 W CA 0.186 57.648 57.345 0.195 0.000 1.253 179 W CB -0.896 28.691 29.460 0.210 0.000 1.130 179 W HN 0.399 nan 8.180 nan 0.000 0.618 180 K N 0.336 120.813 120.400 0.127 0.000 2.379 180 K HA 0.168 4.489 4.320 0.001 0.000 0.194 180 K C 1.784 178.349 176.600 -0.058 0.000 1.031 180 K CA 0.331 56.556 56.287 -0.103 0.000 1.037 180 K CB 0.138 32.480 32.500 -0.263 0.000 0.824 180 K HN 0.237 nan 8.250 nan 0.000 0.516 181 L N 0.518 121.726 121.223 -0.025 0.000 2.556 181 L HA 0.155 4.495 4.340 0.001 0.000 0.226 181 L C 0.458 177.292 176.870 -0.059 0.000 1.089 181 L CA -0.250 54.483 54.840 -0.178 0.000 0.864 181 L CB 0.174 42.099 42.059 -0.224 0.000 1.067 181 L HN 0.075 nan 8.230 nan 0.000 0.477 182 L N 0.457 121.731 121.223 0.086 0.000 2.305 182 L HA 0.226 4.567 4.340 0.001 0.000 0.281 182 L C 0.638 177.565 176.870 0.096 0.000 1.085 182 L CA 0.186 55.087 54.840 0.103 0.000 0.813 182 L CB 1.367 43.468 42.059 0.069 0.000 1.157 182 L HN -0.109 nan 8.230 nan 0.000 0.436 183 S N 3.881 119.618 115.700 0.063 0.000 2.516 183 S HA 0.342 4.812 4.470 0.001 0.000 0.282 183 S C 1.332 175.918 174.600 -0.022 0.000 1.286 183 S CA -0.007 58.215 58.200 0.037 0.000 1.066 183 S CB 0.741 63.959 63.200 0.029 0.000 0.884 183 S HN 0.926 nan 8.310 nan 0.000 0.491 184 A N 6.024 128.867 122.820 0.039 0.000 1.898 184 A HA -0.039 4.281 4.320 0.001 0.000 0.216 184 A C 2.112 179.603 177.584 -0.155 0.000 1.181 184 A CA 1.360 53.456 52.037 0.099 0.000 0.620 184 A CB -0.512 18.671 19.000 0.306 0.000 0.819 184 A HN 0.924 nan 8.150 nan 0.000 0.442 185 K N -0.945 119.179 120.400 -0.460 0.000 2.211 185 K HA -0.174 4.146 4.320 0.001 0.000 0.204 185 K C 1.028 177.467 176.600 -0.269 0.000 1.047 185 K CA 1.496 57.362 56.287 -0.702 0.000 0.935 185 K CB -0.091 32.036 32.500 -0.622 0.000 0.728 185 K HN 0.460 nan 8.250 nan 0.000 0.452 186 D N -0.837 119.473 120.400 -0.151 0.000 2.369 186 D HA 0.025 4.665 4.640 0.001 0.000 0.211 186 D C 1.106 177.385 176.300 -0.036 0.000 1.077 186 D CA 0.401 54.383 54.000 -0.030 0.000 0.842 186 D CB 0.416 41.227 40.800 0.019 0.000 0.947 186 D HN -0.064 nan 8.370 nan 0.000 0.509 187 T N -0.367 114.048 114.554 -0.232 0.000 2.622 187 T HA -0.134 4.216 4.350 0.001 0.000 0.266 187 T C 0.291 174.642 174.700 -0.582 0.000 1.047 187 T CA 1.224 62.998 62.100 -0.544 0.000 1.159 187 T CB -0.253 68.065 68.868 -0.917 0.000 0.863 187 T HN 0.122 nan 8.240 nan 0.000 0.422 188 Y N 1.489 121.595 120.300 -0.323 0.000 2.320 188 Y HA 0.493 5.044 4.550 0.001 0.000 0.324 188 Y C -0.282 175.437 175.900 -0.301 0.000 1.190 188 Y CA -1.594 56.252 58.100 -0.423 0.000 1.215 188 Y CB 0.635 38.959 38.460 -0.226 0.000 1.221 188 Y HN 0.195 nan 8.280 nan 0.000 0.486 189 F N -1.525 118.370 119.950 -0.091 0.000 2.703 189 F HA 0.708 5.235 4.527 0.001 0.000 0.308 189 F C -0.444 175.148 175.800 -0.345 0.000 1.126 189 F CA -2.281 55.595 58.000 -0.206 0.000 0.959 189 F CB 0.463 39.296 39.000 -0.278 0.000 1.297 189 F HN 0.585 nan 8.300 nan 0.000 0.441 190 G N 0.297 109.131 108.800 0.056 0.000 2.415 190 G HA2 0.472 4.433 3.960 0.001 0.000 0.269 190 G HA3 0.472 4.433 3.960 0.001 0.000 0.269 190 G C -1.586 173.235 174.900 -0.132 0.000 1.209 190 G CA -0.481 44.606 45.100 -0.021 0.000 0.835 190 G HN 0.817 nan 8.290 nan 0.000 0.534 191 H N 1.130 120.226 119.070 0.043 0.000 2.519 191 H HA 0.227 4.783 4.556 0.001 0.000 0.316 191 H C 0.277 175.627 175.328 0.036 0.000 1.065 191 H CA -0.508 55.555 56.048 0.025 0.000 1.264 191 H CB 1.549 31.314 29.762 0.005 0.000 1.413 191 H HN 0.290 nan 8.280 nan 0.000 0.465 192 Q N 3.290 123.164 119.800 0.122 0.000 3.141 192 Q HA 0.217 4.557 4.340 0.001 0.000 0.304 192 Q C 0.664 176.712 176.000 0.081 0.000 1.305 192 Q CA 0.303 56.155 55.803 0.081 0.000 0.929 192 Q CB -0.248 28.520 28.738 0.050 0.000 1.701 192 Q HN 1.054 nan 8.270 nan 0.000 0.483 193 G N 0.718 109.580 108.800 0.104 0.000 2.631 193 G HA2 -0.210 3.750 3.960 0.001 0.000 0.504 193 G HA3 -0.210 3.750 3.960 0.001 0.000 0.504 193 G C -0.685 174.281 174.900 0.110 0.000 1.306 193 G CA -1.051 44.103 45.100 0.090 0.000 0.897 193 G HN 0.453 nan 8.290 nan 0.000 0.520 194 R N 0.248 120.824 120.500 0.128 0.000 2.827 194 R HA 0.235 4.575 4.340 0.001 0.000 0.269 194 R C 0.536 176.882 176.300 0.077 0.000 1.048 194 R CA -0.034 56.167 56.100 0.168 0.000 1.173 194 R CB 0.146 30.647 30.300 0.335 0.000 1.070 194 R HN 0.594 nan 8.270 nan 0.000 0.498 195 N N -0.357 118.369 118.700 0.043 0.000 2.472 195 N HA 0.438 5.179 4.740 0.001 0.000 0.289 195 N C -1.160 174.188 175.510 -0.269 0.000 1.156 195 N CA -0.432 52.579 53.050 -0.065 0.000 0.940 195 N CB 1.993 40.463 38.487 -0.029 0.000 1.200 195 N HN 0.557 nan 8.380 nan 0.000 0.511 196 A N 1.096 123.733 122.820 -0.304 0.000 2.357 196 A HA 0.384 4.704 4.320 0.001 0.000 0.295 196 A C -1.124 176.542 177.584 0.137 0.000 1.121 196 A CA -0.648 51.153 52.037 -0.394 0.000 0.742 196 A CB 0.308 18.688 19.000 -1.034 0.000 1.181 196 A HN 0.567 nan 8.150 nan 0.000 0.454 197 F N 3.442 123.464 119.950 0.120 0.000 2.494 197 F HA 0.442 4.969 4.527 0.001 0.000 0.369 197 F C 0.913 176.642 175.800 -0.119 0.000 1.098 197 F CA -0.127 57.809 58.000 -0.107 0.000 1.154 197 F CB 0.463 39.425 39.000 -0.064 0.000 1.103 197 F HN 0.740 nan 8.300 nan 0.000 0.549 198 A N 7.381 129.804 122.820 -0.662 0.000 2.492 198 A HA 0.264 4.585 4.320 0.001 0.000 0.254 198 A C -0.021 177.267 177.584 -0.494 0.000 1.091 198 A CA -0.387 51.320 52.037 -0.549 0.000 0.768 198 A CB -0.140 18.177 19.000 -1.139 0.000 1.028 198 A HN 0.871 nan 8.150 nan 0.000 0.498 199 L N 2.605 123.719 121.223 -0.180 0.000 2.648 199 L HA 0.381 4.722 4.340 0.001 0.000 0.238 199 L C 0.918 177.715 176.870 -0.122 0.000 1.316 199 L CA 0.747 55.520 54.840 -0.112 0.000 1.241 199 L CB -1.148 40.904 42.059 -0.012 0.000 1.499 199 L HN 1.072 nan 8.230 nan 0.000 0.411 200 N N -0.464 118.128 118.700 -0.179 0.000 4.016 200 N HA -0.175 4.565 4.740 0.001 0.000 0.268 200 N C -0.216 175.248 175.510 -0.077 0.000 1.427 200 N CA -0.005 52.987 53.050 -0.097 0.000 1.534 200 N CB -1.911 nan 38.487 nan 0.000 1.205 200 N HN 0.365 nan 8.380 nan 0.000 0.553 201 Y N 0.165 120.381 120.300 -0.140 0.000 2.395 201 Y HA -0.080 4.471 4.550 0.001 0.000 0.293 201 Y C 2.377 178.247 175.900 -0.049 0.000 1.123 201 Y CA 1.472 59.498 58.100 -0.122 0.000 1.227 201 Y CB 0.520 38.874 38.460 -0.176 0.000 1.012 201 Y HN 0.883 nan 8.280 nan 0.000 0.552 202 D N -1.274 119.207 120.400 0.136 0.000 2.351 202 D HA -0.137 4.503 4.640 0.001 0.000 0.216 202 D C 1.622 177.964 176.300 0.070 0.000 0.968 202 D CA 1.119 55.173 54.000 0.090 0.000 0.899 202 D CB -0.305 40.530 40.800 0.057 0.000 0.907 202 D HN 0.185 nan 8.370 nan 0.000 0.514 203 S N -0.271 115.464 115.700 0.058 0.000 2.414 203 S HA -0.014 4.456 4.470 0.001 0.000 0.227 203 S C 2.208 176.848 174.600 0.067 0.000 1.022 203 S CA 0.301 58.524 58.200 0.037 0.000 0.958 203 S CB 0.117 63.322 63.200 0.009 0.000 0.797 203 S HN 0.184 nan 8.310 nan 0.000 0.493 204 V N 1.397 121.382 119.914 0.118 0.000 2.379 204 V HA -0.085 4.036 4.120 0.001 0.000 0.245 204 V C 2.290 178.477 176.094 0.155 0.000 1.044 204 V CA 1.165 63.560 62.300 0.159 0.000 1.036 204 V CB -0.635 31.351 31.823 0.272 0.000 0.664 204 V HN 0.311 nan 8.190 nan 0.000 0.453 205 V N -0.325 119.677 119.914 0.146 0.000 2.261 205 V HA -0.262 3.858 4.120 0.001 0.000 0.246 205 V C 2.639 178.783 176.094 0.083 0.000 1.047 205 V CA 1.820 64.192 62.300 0.119 0.000 1.015 205 V CB -0.686 31.193 31.823 0.094 0.000 0.642 205 V HN 0.491 nan 8.190 nan 0.000 0.446 206 Q N -0.197 119.635 119.800 0.053 0.000 2.084 206 Q HA -0.208 4.133 4.340 0.001 0.000 0.202 206 Q C 2.312 178.309 176.000 -0.005 0.000 0.978 206 Q CA 1.791 57.600 55.803 0.010 0.000 0.844 206 Q CB -0.610 28.128 28.738 0.001 0.000 0.898 206 Q HN 0.639 nan 8.270 nan 0.000 0.426 207 R N 0.414 120.929 120.500 0.026 0.000 2.091 207 R HA -0.087 4.254 4.340 0.001 0.000 0.238 207 R C 2.198 178.519 176.300 0.035 0.000 1.136 207 R CA 1.209 57.323 56.100 0.024 0.000 0.959 207 R CB -0.187 30.141 30.300 0.048 0.000 0.856 207 R HN 0.237 nan 8.270 nan 0.000 0.437 208 I N 0.485 121.109 120.570 0.090 0.000 2.353 208 I HA -0.120 4.050 4.170 0.001 0.000 0.248 208 I C 2.417 178.572 176.117 0.063 0.000 1.119 208 I CA 0.987 62.373 61.300 0.144 0.000 1.417 208 I CB -0.347 37.801 38.000 0.247 0.000 1.078 208 I HN 0.266 nan 8.210 nan 0.000 0.421 209 A N 0.080 122.882 122.820 -0.029 0.000 2.119 209 A HA -0.129 4.191 4.320 0.001 0.000 0.217 209 A C 1.960 179.166 177.584 -0.630 0.000 1.153 209 A CA 1.051 52.926 52.037 -0.269 0.000 0.692 209 A CB -0.329 18.605 19.000 -0.109 0.000 0.799 209 A HN 0.507 nan 8.150 nan 0.000 0.458 210 Q N -0.311 119.275 119.800 -0.357 0.000 2.188 210 Q HA 0.084 4.425 4.340 0.001 0.000 0.212 210 Q C 0.969 176.800 176.000 -0.281 0.000 0.846 210 Q CA 0.471 56.066 55.803 -0.346 0.000 0.989 210 Q CB 0.290 28.914 28.738 -0.190 0.000 1.114 210 Q HN 0.690 nan 8.270 nan 0.000 0.488 211 S N -0.271 115.279 115.700 -0.249 0.000 2.557 211 S HA 0.212 4.682 4.470 0.001 0.000 0.223 211 S C 0.011 174.602 174.600 -0.014 0.000 0.969 211 S CA -0.660 57.506 58.200 -0.057 0.000 0.927 211 S CB -0.139 63.105 63.200 0.073 0.000 0.806 211 S HN 0.319 nan 8.310 nan 0.000 0.489 212 F N -1.598 118.192 119.950 -0.268 0.000 2.645 212 F HA 0.835 5.362 4.527 0.001 0.000 0.310 212 F C -3.454 171.882 175.800 -0.773 0.000 1.102 212 F CA -3.073 54.524 58.000 -0.671 0.000 0.952 212 F CB -0.191 38.539 39.000 -0.450 0.000 1.326 212 F HN -0.278 nan 8.300 nan 0.000 0.456 213 P HA -0.008 nan 4.420 nan 0.000 0.261 213 P C 0.367 177.473 177.300 -0.323 0.000 1.165 213 P CA 0.372 63.025 63.100 -0.744 0.000 0.759 213 P CB 0.604 31.543 31.700 -1.269 0.000 0.772 214 Q N 2.838 122.504 119.800 -0.222 0.000 2.079 214 Q HA -0.147 4.193 4.340 0.001 0.000 0.200 214 Q C 1.602 177.644 176.000 0.070 0.000 0.974 214 Q CA 1.451 57.200 55.803 -0.090 0.000 0.840 214 Q CB -0.422 28.255 28.738 -0.102 0.000 0.898 214 Q HN 0.621 nan 8.270 nan 0.000 0.430 215 N N -0.451 118.302 118.700 0.087 0.000 2.443 215 N HA -0.183 4.557 4.740 0.001 0.000 0.184 215 N C 1.227 176.923 175.510 0.310 0.000 1.037 215 N CA 0.806 53.958 53.050 0.171 0.000 0.896 215 N CB -0.510 38.072 38.487 0.159 0.000 0.959 215 N HN 0.261 nan 8.380 nan 0.000 0.442 216 W N 1.150 122.502 121.300 0.086 0.000 2.402 216 W HA 0.171 4.832 4.660 0.001 0.000 0.286 216 W C 0.748 177.307 176.519 0.067 0.000 1.221 216 W CA -0.332 57.050 57.345 0.062 0.000 1.257 216 W CB -0.908 28.599 29.460 0.078 0.000 1.120 216 W HN 0.037 nan 8.180 nan 0.000 0.551 217 L N 2.346 123.797 121.223 0.380 0.000 2.385 217 L HA 0.152 4.492 4.340 0.001 0.000 0.281 217 L C 0.000 176.950 176.870 0.133 0.000 1.106 217 L CA 0.298 55.289 54.840 0.252 0.000 0.856 217 L CB 0.007 42.212 42.059 0.243 0.000 1.186 217 L HN -0.244 nan 8.230 nan 0.000 0.453 218 K N 6.824 127.273 120.400 0.080 0.000 2.414 218 K HA 0.386 4.707 4.320 0.001 0.000 0.251 218 K C -0.845 175.776 176.600 0.035 0.000 1.037 218 K CA -0.491 55.826 56.287 0.051 0.000 0.980 218 K CB 0.843 33.358 32.500 0.026 0.000 1.280 218 K HN 0.628 nan 8.250 nan 0.000 0.451 219 L N 0.832 122.078 121.223 0.038 0.000 2.456 219 L HA 0.106 4.447 4.340 0.001 0.000 0.257 219 L C 1.057 177.932 176.870 0.010 0.000 1.162 219 L CA 0.028 54.882 54.840 0.022 0.000 0.808 219 L CB 0.959 43.035 42.059 0.029 0.000 1.136 219 L HN 0.762 nan 8.230 nan 0.000 0.466 220 S N -0.935 114.759 115.700 -0.011 0.000 3.127 220 S HA -0.209 4.262 4.470 0.001 0.000 0.281 220 S C 0.136 174.726 174.600 -0.016 0.000 1.293 220 S CA 1.071 59.263 58.200 -0.013 0.000 1.156 220 S CB -1.354 61.853 63.200 0.012 0.000 1.389 220 S HN 0.811 nan 8.310 nan 0.000 0.672 221 c N 3.014 121.602 118.600 -0.020 0.000 2.246 221 c HA 0.651 5.222 4.570 0.001 0.000 0.329 221 c C 0.302 174.365 174.090 -0.044 0.000 1.221 221 c CA -0.683 55.643 56.329 -0.005 0.000 1.697 221 c CB -0.099 42.431 42.510 0.033 0.000 2.312 221 c HN 0.529 nan 8.230 nan 0.000 0.509 222 E N 4.789 124.965 120.200 -0.040 0.000 2.229 222 E HA 0.438 4.789 4.350 0.001 0.000 0.283 222 E C -0.727 175.865 176.600 -0.013 0.000 1.030 222 E CA -0.396 55.969 56.400 -0.059 0.000 0.836 222 E CB 1.156 30.859 29.700 0.005 0.000 1.068 222 E HN 0.713 nan 8.360 nan 0.000 0.401 223 V N 5.803 125.703 119.914 -0.023 0.000 2.583 223 V HA 0.066 4.186 4.120 0.001 0.000 0.287 223 V C 1.018 177.105 176.094 -0.011 0.000 1.051 223 V CA 0.185 62.476 62.300 -0.016 0.000 1.010 223 V CB 1.183 32.985 31.823 -0.035 0.000 0.988 223 V HN 0.847 nan 8.190 nan 0.000 0.478 224 K N 2.154 122.541 120.400 -0.023 0.000 2.399 224 K HA 0.311 4.632 4.320 0.001 0.000 0.196 224 K C 0.325 176.881 176.600 -0.074 0.000 1.103 224 K CA 0.255 56.526 56.287 -0.026 0.000 0.986 224 K CB 0.801 33.297 32.500 -0.007 0.000 0.952 224 K HN 0.660 nan 8.250 nan 0.000 0.541 225 S N 0.227 115.859 115.700 -0.112 0.000 2.547 225 S HA 0.580 5.050 4.470 0.001 0.000 0.270 225 S C -0.986 173.482 174.600 -0.221 0.000 1.150 225 S CA -0.992 57.100 58.200 -0.180 0.000 0.850 225 S CB 1.260 64.395 63.200 -0.108 0.000 1.118 225 S HN 0.166 nan 8.310 nan 0.000 0.461 226 I N 1.493 121.860 120.570 -0.339 0.000 2.533 226 I HA 0.555 4.725 4.170 0.001 0.000 0.290 226 I C -0.962 175.051 176.117 -0.173 0.000 1.056 226 I CA -0.404 60.726 61.300 -0.283 0.000 1.057 226 I CB 2.660 40.402 38.000 -0.429 0.000 1.240 226 I HN 0.771 nan 8.210 nan 0.000 0.423 227 T N 4.295 118.798 114.554 -0.086 0.000 2.921 227 T HA 0.411 4.762 4.350 0.001 0.000 0.297 227 T C -0.578 174.108 174.700 -0.022 0.000 1.013 227 T CA -0.704 61.376 62.100 -0.033 0.000 0.990 227 T CB 1.904 70.754 68.868 -0.030 0.000 1.023 227 T HN 0.379 nan 8.240 nan 0.000 0.447 228 R N 2.772 123.272 120.500 0.000 0.000 2.221 228 R HA 0.334 4.674 4.340 0.001 0.000 0.327 228 R C -0.437 175.853 176.300 -0.017 0.000 1.033 228 R CA -0.369 55.722 56.100 -0.014 0.000 0.887 228 R CB 0.381 30.680 30.300 -0.001 0.000 1.057 228 R HN 0.405 nan 8.270 nan 0.000 0.455 229 E N 6.964 127.146 120.200 -0.031 0.000 2.044 229 E HA 0.176 4.527 4.350 0.001 0.000 0.282 229 E C -2.117 174.466 176.600 -0.030 0.000 1.031 229 E CA -2.447 53.937 56.400 -0.027 0.000 0.824 229 E CB 0.873 30.554 29.700 -0.031 0.000 1.076 229 E HN 0.520 nan 8.360 nan 0.000 0.395 230 P HA -0.146 nan 4.420 nan 0.000 0.212 230 P C 0.209 177.493 177.300 -0.025 0.000 1.069 230 P CA 0.790 63.878 63.100 -0.021 0.000 1.331 230 P CB -0.027 31.666 31.700 -0.012 0.000 1.513 231 S N 1.234 116.913 115.700 -0.036 0.000 3.327 231 S HA 0.222 4.693 4.470 0.001 0.000 0.175 231 S C 0.864 175.432 174.600 -0.053 0.000 0.888 231 S CA 0.363 58.540 58.200 -0.037 0.000 1.332 231 S CB -0.258 62.923 63.200 -0.032 0.000 1.191 231 S HN 0.478 nan 8.310 nan 0.000 0.367 232 K N -0.340 120.018 120.400 -0.071 0.000 1.944 232 K HA 0.491 4.812 4.320 0.001 0.000 0.074 232 K C -0.490 176.039 176.600 -0.120 0.000 1.330 232 K CA 0.891 57.115 56.287 -0.105 0.000 0.424 232 K CB -2.153 nan 32.500 nan 0.000 3.421 232 K HN 1.747 nan 8.250 nan 0.000 0.679 233 N N -0.313 118.328 118.700 -0.097 0.000 2.229 233 N HA 0.803 5.544 4.740 0.001 0.000 0.298 233 N C -0.694 174.765 175.510 -0.084 0.000 1.114 233 N CA -0.157 52.840 53.050 -0.089 0.000 0.776 233 N CB 2.427 40.879 38.487 -0.058 0.000 1.501 233 N HN 0.644 nan 8.380 nan 0.000 0.474 234 V N 1.250 121.115 119.914 -0.082 0.000 2.487 234 V HA 0.610 4.731 4.120 0.001 0.000 0.298 234 V C 0.006 176.072 176.094 -0.047 0.000 1.028 234 V CA -0.542 61.716 62.300 -0.070 0.000 0.860 234 V CB 1.633 33.404 31.823 -0.086 0.000 0.991 234 V HN 0.882 nan 8.190 nan 0.000 0.427 235 T N 4.722 119.251 114.554 -0.042 0.000 2.744 235 T HA 0.553 4.904 4.350 0.001 0.000 0.291 235 T C -0.281 174.397 174.700 -0.036 0.000 0.957 235 T CA -0.276 61.806 62.100 -0.030 0.000 1.002 235 T CB 1.258 70.107 68.868 -0.033 0.000 0.919 235 T HN 0.340 nan 8.240 nan 0.000 0.468 236 V N 4.833 124.747 119.914 0.000 0.000 2.459 236 V HA 0.452 4.572 4.120 0.001 0.000 0.295 236 V C -0.199 175.920 176.094 0.043 0.000 1.029 236 V CA -1.016 61.286 62.300 0.003 0.000 0.874 236 V CB 1.714 33.549 31.823 0.021 0.000 0.985 236 V HN 0.794 nan 8.190 nan 0.000 0.438 237 N N 2.547 121.249 118.700 0.003 0.000 2.483 237 N HA 0.362 5.102 4.740 0.001 0.000 0.267 237 N C -0.519 175.002 175.510 0.019 0.000 0.998 237 N CA -0.314 52.737 53.050 0.003 0.000 0.918 237 N CB 1.770 40.240 38.487 -0.028 0.000 1.215 237 N HN 0.571 nan 8.380 nan 0.000 0.500 238 c N 0.846 119.479 118.600 0.056 0.000 2.639 238 c HA 0.046 4.616 4.570 0.001 0.000 0.360 238 c C 2.340 176.441 174.090 0.019 0.000 1.351 238 c CA -0.002 56.359 56.329 0.054 0.000 2.408 238 c CB 0.482 43.050 42.510 0.097 0.000 2.517 238 c HN 0.704 nan 8.230 nan 0.000 0.696 239 E N 0.555 120.767 120.200 0.020 0.000 2.299 239 E HA -0.078 4.272 4.350 0.001 0.000 0.193 239 E C 1.064 177.670 176.600 0.011 0.000 0.998 239 E CA 0.896 57.306 56.400 0.016 0.000 0.851 239 E CB -0.164 29.554 29.700 0.029 0.000 0.795 239 E HN 0.775 nan 8.360 nan 0.000 0.492 240 D N -1.516 118.891 120.400 0.013 0.000 2.344 240 D HA 0.103 4.743 4.640 0.001 0.000 0.242 240 D C 1.276 177.568 176.300 -0.012 0.000 1.159 240 D CA 0.656 54.659 54.000 0.006 0.000 0.859 240 D CB -0.163 40.645 40.800 0.014 0.000 0.925 240 D HN 0.184 nan 8.370 nan 0.000 0.510 241 G N 0.146 108.935 108.800 -0.019 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 0.734 175.590 174.900 -0.073 0.000 1.039 241 G CA 0.749 45.826 45.100 -0.038 0.000 0.625 241 G HN 0.848 nan 8.290 nan 0.000 0.526 242 T N -0.922 113.578 114.554 -0.089 0.000 2.908 242 T HA 0.466 4.816 4.350 0.001 0.000 0.325 242 T C 0.116 174.660 174.700 -0.259 0.000 1.092 242 T CA 0.299 62.278 62.100 -0.202 0.000 1.125 242 T CB 2.248 70.982 68.868 -0.224 0.000 1.016 242 T HN 1.081 nan 8.240 nan 0.000 0.550 243 V N 2.368 122.025 119.914 -0.428 0.000 2.841 243 V HA 0.575 4.696 4.120 0.001 0.000 0.310 243 V C -1.308 174.476 176.094 -0.517 0.000 1.090 243 V CA -1.078 61.028 62.300 -0.325 0.000 0.930 243 V CB 1.859 33.579 31.823 -0.172 0.000 1.014 243 V HN 0.964 nan 8.190 nan 0.000 0.425 244 Y N 1.839 122.107 120.300 -0.052 0.000 2.512 244 Y HA 0.510 5.061 4.550 0.001 0.000 0.348 244 Y C 0.110 175.973 175.900 -0.062 0.000 0.990 244 Y CA -0.753 57.312 58.100 -0.058 0.000 1.033 244 Y CB 1.935 40.354 38.460 -0.068 0.000 1.259 244 Y HN 0.578 nan 8.280 nan 0.000 0.461 245 N N 1.707 120.469 118.700 0.104 0.000 2.399 245 N HA 0.766 5.507 4.740 0.001 0.000 0.295 245 N C -1.574 173.944 175.510 0.014 0.000 1.048 245 N CA -0.085 52.982 53.050 0.028 0.000 0.886 245 N CB 1.689 40.179 38.487 0.005 0.000 1.185 245 N HN 0.864 nan 8.380 nan 0.000 0.487 246 A N 2.552 125.358 122.820 -0.023 0.000 2.549 246 A HA 0.402 4.723 4.320 0.001 0.000 0.297 246 A C -0.164 177.376 177.584 -0.073 0.000 1.061 246 A CA -0.581 51.429 52.037 -0.045 0.000 0.690 246 A CB 1.124 20.089 19.000 -0.060 0.000 1.287 246 A HN 0.599 nan 8.150 nan 0.000 0.402 247 D N -0.257 120.110 120.400 -0.055 0.000 2.137 247 D HA 0.128 4.768 4.640 0.001 0.000 0.202 247 D C -0.360 175.742 176.300 -0.329 0.000 0.970 247 D CA 2.239 56.161 54.000 -0.130 0.000 0.837 247 D CB -0.038 40.790 40.800 0.046 0.000 0.981 247 D HN 0.523 nan 8.370 nan 0.000 0.475 248 Y N -1.417 118.831 120.300 -0.087 0.000 2.581 248 Y HA 0.461 5.011 4.550 0.001 0.000 0.345 248 Y C -0.430 175.399 175.900 -0.119 0.000 1.036 248 Y CA -1.482 56.561 58.100 -0.095 0.000 1.042 248 Y CB 2.276 40.679 38.460 -0.095 0.000 1.289 248 Y HN -0.290 nan 8.280 nan 0.000 0.471 249 V N 0.234 120.174 119.914 0.043 0.000 2.733 249 V HA 0.653 4.774 4.120 0.001 0.000 0.306 249 V C -1.277 174.766 176.094 -0.084 0.000 1.084 249 V CA -0.955 61.315 62.300 -0.051 0.000 0.905 249 V CB 1.685 33.457 31.823 -0.085 0.000 1.010 249 V HN 0.682 nan 8.190 nan 0.000 0.424 250 I N 5.741 126.254 120.570 -0.095 0.000 2.371 250 I HA 0.460 4.631 4.170 0.001 0.000 0.282 250 I C -0.287 175.784 176.117 -0.077 0.000 1.031 250 I CA -0.387 60.852 61.300 -0.102 0.000 1.180 250 I CB 1.396 39.349 38.000 -0.079 0.000 1.336 250 I HN 0.546 nan 8.210 nan 0.000 0.467 251 I N 5.687 126.192 120.570 -0.109 0.000 2.379 251 I HA 0.079 4.249 4.170 0.001 0.000 0.290 251 I C 1.252 177.490 176.117 0.202 0.000 1.063 251 I CA 0.159 61.489 61.300 0.051 0.000 1.351 251 I CB 0.960 39.023 38.000 0.106 0.000 1.410 251 I HN 0.619 nan 8.210 nan 0.000 0.505 252 T N 2.726 117.383 114.554 0.172 0.000 3.174 252 T HA 0.205 4.555 4.350 0.001 0.000 0.269 252 T C 0.327 175.169 174.700 0.238 0.000 1.017 252 T CA -0.464 61.759 62.100 0.205 0.000 0.899 252 T CB -0.464 68.478 68.868 0.124 0.000 1.077 252 T HN 0.354 nan 8.240 nan 0.000 0.552 253 V N -0.483 119.576 119.914 0.243 0.000 2.999 253 V HA 0.432 4.553 4.120 0.001 0.000 0.307 253 V C -2.505 173.697 176.094 0.181 0.000 1.084 253 V CA -1.916 60.502 62.300 0.196 0.000 1.155 253 V CB -0.357 31.576 31.823 0.183 0.000 0.975 253 V HN 0.081 nan 8.190 nan 0.000 0.490 254 P HA 0.075 nan 4.420 nan 0.000 0.270 254 P C 0.690 177.824 177.300 -0.277 0.000 1.223 254 P CA 0.008 63.108 63.100 -0.001 0.000 0.785 254 P CB 0.381 32.117 31.700 0.060 0.000 0.923 255 Q N 1.767 121.226 119.800 -0.568 0.000 2.096 255 Q HA -0.216 4.124 4.340 0.001 0.000 0.204 255 Q C 1.676 177.447 176.000 -0.381 0.000 0.982 255 Q CA 2.526 57.988 55.803 -0.568 0.000 0.850 255 Q CB -0.390 28.131 28.738 -0.363 0.000 0.901 255 Q HN 0.565 nan 8.270 nan 0.000 0.422 256 S N -0.849 114.363 115.700 -0.813 0.000 2.399 256 S HA -0.102 4.369 4.470 0.001 0.000 0.231 256 S C 1.881 176.260 174.600 -0.369 0.000 1.022 256 S CA 1.286 59.038 58.200 -0.745 0.000 0.983 256 S CB -0.387 62.112 63.200 -1.168 0.000 0.803 256 S HN 0.262 nan 8.310 nan 0.000 0.480 257 V N 1.151 120.913 119.914 -0.253 0.000 2.535 257 V HA 0.078 4.199 4.120 0.001 0.000 0.246 257 V C 2.326 178.383 176.094 -0.062 0.000 1.045 257 V CA 1.124 63.364 62.300 -0.101 0.000 1.058 257 V CB -0.632 31.196 31.823 0.009 0.000 0.689 257 V HN 0.420 nan 8.190 nan 0.000 0.461 258 L N 0.856 122.054 121.223 -0.042 0.000 2.201 258 L HA -0.067 4.273 4.340 0.001 0.000 0.212 258 L C 2.102 178.845 176.870 -0.212 0.000 1.105 258 L CA 1.611 56.475 54.840 0.040 0.000 0.775 258 L CB -0.980 41.172 42.059 0.156 0.000 0.913 258 L HN 0.285 nan 8.230 nan 0.000 0.440 259 N N -0.253 118.167 118.700 -0.467 0.000 2.309 259 N HA -0.143 4.597 4.740 0.001 0.000 0.182 259 N C 1.735 176.925 175.510 -0.533 0.000 1.018 259 N CA 1.077 53.531 53.050 -0.994 0.000 0.876 259 N CB -0.071 37.984 38.487 -0.720 0.000 0.972 259 N HN 0.434 nan 8.380 nan 0.000 0.434 260 L N 0.047 121.103 121.223 -0.278 0.000 2.362 260 L HA -0.057 4.283 4.340 0.001 0.000 0.219 260 L C 2.084 178.892 176.870 -0.103 0.000 1.134 260 L CA 0.456 55.203 54.840 -0.155 0.000 0.807 260 L CB -0.231 41.778 42.059 -0.082 0.000 0.927 260 L HN 0.044 nan 8.230 nan 0.000 0.447 261 S N -0.067 115.581 115.700 -0.087 0.000 2.402 261 S HA -0.111 4.360 4.470 0.001 0.000 0.229 261 S C 1.809 176.389 174.600 -0.033 0.000 1.021 261 S CA 1.346 59.564 58.200 0.030 0.000 0.974 261 S CB -0.120 63.181 63.200 0.169 0.000 0.800 261 S HN 0.463 nan 8.310 nan 0.000 0.484 262 V N -0.761 119.055 119.914 -0.163 0.000 3.623 262 V HA 0.248 4.369 4.120 0.001 0.000 0.271 262 V C 0.195 176.231 176.094 -0.097 0.000 1.248 262 V CA 0.139 62.362 62.300 -0.129 0.000 1.156 262 V CB -0.582 31.128 31.823 -0.188 0.000 0.870 262 V HN 0.145 nan 8.190 nan 0.000 0.453 263 Q N 2.008 121.751 119.800 -0.095 0.000 2.226 263 Q HA 0.532 4.872 4.340 0.001 0.000 0.256 263 Q C -2.633 173.348 176.000 -0.031 0.000 0.962 263 Q CA -1.966 53.798 55.803 -0.064 0.000 0.887 263 Q CB 1.914 30.607 28.738 -0.075 0.000 1.282 263 Q HN 0.277 nan 8.270 nan 0.000 0.449 264 P HA 0.270 nan 4.420 nan 0.000 0.284 264 P C -1.309 175.986 177.300 -0.007 0.000 1.432 264 P CA -0.225 62.871 63.100 -0.007 0.000 0.929 264 P CB 0.797 32.494 31.700 -0.005 0.000 1.158 265 E N 2.597 122.795 120.200 -0.004 0.000 3.769 265 E HA 0.215 4.565 4.350 0.001 0.000 0.370 265 E C 0.338 176.938 176.600 -0.001 0.000 1.080 265 E CA -0.123 56.275 56.400 -0.004 0.000 0.692 265 E CB -0.623 29.071 29.700 -0.010 0.000 1.258 265 E HN 0.085 nan 8.360 nan 0.000 0.514 266 K N 3.440 123.842 120.400 0.003 0.000 2.288 266 K HA 0.059 4.379 4.320 0.001 0.000 0.201 266 K C 0.954 177.557 176.600 0.006 0.000 1.048 266 K CA 1.315 57.606 56.287 0.007 0.000 0.956 266 K CB -0.453 32.050 32.500 0.006 0.000 0.746 266 K HN 0.499 nan 8.250 nan 0.000 0.461 267 N N 0.773 119.474 118.700 0.002 0.000 3.331 267 N HA 0.234 4.974 4.740 0.001 0.000 0.303 267 N C -1.349 174.160 175.510 -0.001 0.000 1.326 267 N CA -0.202 52.850 53.050 0.003 0.000 1.207 267 N CB -0.224 38.264 38.487 0.001 0.000 1.477 267 N HN 0.285 nan 8.380 nan 0.000 0.541 268 L N 1.930 123.154 121.223 0.001 0.000 2.356 268 L HA 0.439 4.779 4.340 0.001 0.000 0.277 268 L C 0.030 176.901 176.870 0.001 0.000 0.996 268 L CA -0.982 53.852 54.840 -0.010 0.000 0.822 268 L CB 1.856 43.904 42.059 -0.019 0.000 1.256 268 L HN 0.165 nan 8.230 nan 0.000 0.413 269 R N 2.177 122.662 120.500 -0.023 0.000 2.488 269 R HA 0.221 4.561 4.340 0.001 0.000 0.317 269 R C 1.153 177.466 176.300 0.021 0.000 0.941 269 R CA 1.212 57.301 56.100 -0.019 0.000 1.076 269 R CB -0.047 30.151 30.300 -0.171 0.000 0.917 269 R HN 0.966 nan 8.270 nan 0.000 0.407 270 G N 2.287 111.223 108.800 0.227 0.000 2.284 270 G HA2 -0.354 3.606 3.960 0.001 0.000 0.230 270 G HA3 -0.354 3.606 3.960 0.001 0.000 0.230 270 G C 0.298 175.286 174.900 0.148 0.000 1.021 270 G CA 0.026 45.302 45.100 0.293 0.000 0.619 270 G HN 0.606 nan 8.290 nan 0.000 0.510 271 R N 1.078 121.628 120.500 0.083 0.000 2.538 271 R HA 0.430 4.770 4.340 0.001 0.000 0.282 271 R C -0.055 176.281 176.300 0.060 0.000 1.009 271 R CA 0.182 56.319 56.100 0.061 0.000 1.063 271 R CB -0.070 30.248 30.300 0.030 0.000 0.945 271 R HN 0.350 nan 8.270 nan 0.000 0.414 272 I N 3.339 123.957 120.570 0.080 0.000 2.404 272 I HA 0.158 4.328 4.170 0.001 0.000 0.293 272 I C -0.273 175.845 176.117 0.002 0.000 0.992 272 I CA -0.856 60.438 61.300 -0.011 0.000 1.149 272 I CB 1.892 39.853 38.000 -0.066 0.000 1.315 272 I HN 0.598 nan 8.210 nan 0.000 0.446 273 E N 6.087 126.235 120.200 -0.087 0.000 2.167 273 E HA 0.366 4.717 4.350 0.001 0.000 0.284 273 E C -1.606 174.924 176.600 -0.117 0.000 1.016 273 E CA -0.116 56.276 56.400 -0.013 0.000 0.817 273 E CB 0.557 30.247 29.700 -0.017 0.000 1.080 273 E HN 0.215 nan 8.360 nan 0.000 0.397 274 F N 3.244 123.215 119.950 0.036 0.000 2.422 274 F HA 0.449 4.977 4.527 0.001 0.000 0.333 274 F C 0.189 176.006 175.800 0.029 0.000 1.095 274 F CA -0.429 57.597 58.000 0.042 0.000 1.038 274 F CB 1.587 40.630 39.000 0.071 0.000 1.156 274 F HN 0.285 nan 8.300 nan 0.000 0.483 275 Q N 4.386 124.290 119.800 0.174 0.000 2.309 275 Q HA 0.269 4.609 4.340 0.001 0.000 0.254 275 Q C -2.719 173.337 176.000 0.093 0.000 0.938 275 Q CA -1.950 53.917 55.803 0.106 0.000 0.789 275 Q CB 2.414 31.180 28.738 0.047 0.000 1.313 275 Q HN 0.285 nan 8.270 nan 0.000 0.438 276 P HA 0.186 nan 4.420 nan 0.000 0.272 276 P C -2.408 174.979 177.300 0.146 0.000 1.230 276 P CA -1.055 62.101 63.100 0.094 0.000 0.788 276 P CB 0.080 31.819 31.700 0.064 0.000 0.949 277 P HA 0.041 nan 4.420 nan 0.000 0.269 277 P C 0.142 177.478 177.300 0.061 0.000 1.217 277 P CA 0.116 63.289 63.100 0.122 0.000 0.783 277 P CB 0.494 32.239 31.700 0.075 0.000 0.898 278 L N 1.604 122.809 121.223 -0.029 0.000 2.559 278 L HA -0.002 4.338 4.340 0.001 0.000 0.274 278 L C 1.439 178.289 176.870 -0.033 0.000 1.205 278 L CA 0.252 55.022 54.840 -0.117 0.000 0.907 278 L CB -0.483 41.440 42.059 -0.228 0.000 1.153 278 L HN 0.341 nan 8.230 nan 0.000 0.490 279 K N 5.575 125.965 120.400 -0.017 0.000 2.559 279 K HA -0.067 4.253 4.320 0.001 0.000 0.279 279 K C -1.239 175.355 176.600 -0.010 0.000 0.967 279 K CA -0.856 55.429 56.287 -0.003 0.000 1.000 279 K CB 0.207 32.708 32.500 0.002 0.000 0.890 279 K HN 0.428 nan 8.250 nan 0.000 0.501 280 P HA -0.175 nan 4.420 nan 0.000 0.218 280 P C 1.140 178.431 177.300 -0.014 0.000 1.146 280 P CA 1.130 64.229 63.100 -0.001 0.000 0.813 280 P CB 0.125 31.827 31.700 0.002 0.000 0.778 281 V N -0.141 119.757 119.914 -0.028 0.000 2.515 281 V HA -0.180 3.941 4.120 0.001 0.000 0.250 281 V C 2.648 178.687 176.094 -0.092 0.000 1.058 281 V CA 1.325 63.595 62.300 -0.050 0.000 1.064 281 V CB -0.816 30.979 31.823 -0.047 0.000 0.675 281 V HN 0.029 nan 8.190 nan 0.000 0.461 282 I N -0.533 119.980 120.570 -0.096 0.000 2.235 282 I HA -0.217 3.953 4.170 0.001 0.000 0.241 282 I C 2.666 178.729 176.117 -0.090 0.000 1.085 282 I CA 1.294 62.490 61.300 -0.174 0.000 1.378 282 I CB -0.426 37.475 38.000 -0.165 0.000 1.076 282 I HN 0.306 nan 8.210 nan 0.000 0.415 283 Q N 0.686 120.523 119.800 0.062 0.000 2.096 283 Q HA -0.244 4.096 4.340 0.001 0.000 0.204 283 Q C 1.616 177.725 176.000 0.181 0.000 0.982 283 Q CA 1.655 57.581 55.803 0.206 0.000 0.850 283 Q CB -0.204 28.585 28.738 0.085 0.000 0.901 283 Q HN 0.489 nan 8.270 nan 0.000 0.422 284 D N 0.171 120.599 120.400 0.047 0.000 2.269 284 D HA -0.044 4.596 4.640 0.001 0.000 0.208 284 D C 1.626 177.908 176.300 -0.030 0.000 0.963 284 D CA 0.924 54.936 54.000 0.019 0.000 0.864 284 D CB -0.086 40.712 40.800 -0.003 0.000 0.936 284 D HN 0.248 nan 8.370 nan 0.000 0.505 285 A N 0.147 122.890 122.820 -0.128 0.000 1.969 285 A HA -0.123 4.197 4.320 0.001 0.000 0.218 285 A C 1.804 179.221 177.584 -0.278 0.000 1.169 285 A CA 0.664 52.555 52.037 -0.242 0.000 0.635 285 A CB -0.948 17.825 19.000 -0.378 0.000 0.810 285 A HN 0.174 nan 8.150 nan 0.000 0.445 286 F N 0.529 120.390 119.950 -0.148 0.000 2.408 286 F HA -0.125 4.403 4.527 0.001 0.000 0.300 286 F C 1.502 177.158 175.800 -0.240 0.000 1.090 286 F CA 1.090 58.971 58.000 -0.198 0.000 1.427 286 F CB 0.001 38.902 39.000 -0.166 0.000 1.070 286 F HN 0.220 nan 8.300 nan 0.000 0.549 287 D N -0.396 120.007 120.400 0.005 0.000 2.347 287 D HA -0.034 4.607 4.640 0.001 0.000 0.213 287 D C 1.614 177.888 176.300 -0.044 0.000 0.985 287 D CA 0.680 54.678 54.000 -0.003 0.000 0.879 287 D CB -0.032 40.795 40.800 0.045 0.000 0.919 287 D HN 0.205 nan 8.370 nan 0.000 0.526 288 K N 0.171 120.504 120.400 -0.111 0.000 2.414 288 K HA 0.223 4.543 4.320 0.001 0.000 0.204 288 K C 0.002 176.521 176.600 -0.135 0.000 1.026 288 K CA -0.402 55.840 56.287 -0.076 0.000 1.108 288 K CB 1.507 33.974 32.500 -0.055 0.000 0.855 288 K HN 0.089 nan 8.250 nan 0.000 0.517 289 I N -0.660 119.711 120.570 -0.331 0.000 2.842 289 I HA 0.268 4.439 4.170 0.001 0.000 0.297 289 I C -1.220 174.532 176.117 -0.608 0.000 1.380 289 I CA -0.570 60.556 61.300 -0.289 0.000 1.018 289 I CB 1.638 39.535 38.000 -0.172 0.000 1.311 289 I HN 0.071 nan 8.210 nan 0.000 0.439 290 H N 4.304 123.232 119.070 -0.236 0.000 3.471 290 H HA 0.691 5.247 4.556 0.001 0.000 0.318 290 H C -1.665 173.651 175.328 -0.020 0.000 1.676 290 H CA -0.408 55.450 56.048 -0.317 0.000 1.293 290 H CB 1.103 30.175 29.762 -1.149 0.000 1.738 290 H HN 0.389 nan 8.280 nan 0.000 0.690 291 F N 0.475 120.365 119.950 -0.098 0.000 2.539 291 F HA 0.553 5.081 4.527 0.001 0.000 0.318 291 F C 0.436 176.249 175.800 0.023 0.000 1.135 291 F CA -0.507 57.477 58.000 -0.027 0.000 0.915 291 F CB 1.646 40.646 39.000 -0.001 0.000 1.176 291 F HN 0.584 nan 8.300 nan 0.000 0.440 292 G N 1.569 110.234 108.800 -0.224 0.000 2.522 292 G HA2 0.583 4.543 3.960 0.001 0.000 0.304 292 G HA3 0.583 4.543 3.960 0.001 0.000 0.304 292 G C -1.257 173.526 174.900 -0.195 0.000 1.210 292 G CA -0.465 44.550 45.100 -0.142 0.000 0.960 292 G HN 0.923 nan 8.290 nan 0.000 0.497 293 A N 0.373 123.145 122.820 -0.080 0.000 3.258 293 A HA 0.506 4.827 4.320 0.001 0.000 0.318 293 A C -0.395 177.188 177.584 -0.001 0.000 0.990 293 A CA -0.451 51.577 52.037 -0.016 0.000 0.885 293 A CB 0.145 19.197 19.000 0.087 0.000 1.090 293 A HN 0.629 nan 8.150 nan 0.000 0.479 294 L N 1.571 122.743 121.223 -0.085 0.000 2.416 294 L HA 0.616 4.956 4.340 0.001 0.000 0.272 294 L C 0.590 177.539 176.870 0.131 0.000 1.161 294 L CA 0.811 55.676 54.840 0.042 0.000 0.845 294 L CB 0.903 43.012 42.059 0.083 0.000 1.119 294 L HN 0.485 nan 8.230 nan 0.000 0.464 295 G N 4.037 112.922 108.800 0.143 0.000 2.630 295 G HA2 0.624 4.585 3.960 0.001 0.000 0.296 295 G HA3 0.624 4.585 3.960 0.001 0.000 0.296 295 G C -1.454 173.510 174.900 0.106 0.000 1.285 295 G CA -0.744 44.449 45.100 0.156 0.000 0.958 295 G HN 0.542 nan 8.290 nan 0.000 0.479 296 K N -0.482 119.957 120.400 0.064 0.000 2.426 296 K HA 0.653 4.974 4.320 0.001 0.000 0.251 296 K C -1.590 174.907 176.600 -0.171 0.000 0.941 296 K CA -0.793 55.475 56.287 -0.031 0.000 0.808 296 K CB 3.135 35.656 32.500 0.034 0.000 1.265 296 K HN 0.236 nan 8.250 nan 0.000 0.432 297 V N 4.396 124.126 119.914 -0.307 0.000 2.532 297 V HA 0.295 4.415 4.120 0.001 0.000 0.294 297 V C -0.684 175.033 176.094 -0.628 0.000 1.036 297 V CA -0.925 61.045 62.300 -0.551 0.000 0.876 297 V CB 1.600 32.939 31.823 -0.807 0.000 1.012 297 V HN 0.620 nan 8.190 nan 0.000 0.432 298 I N 1.652 121.863 120.570 -0.598 0.000 2.312 298 I HA 0.580 4.751 4.170 0.001 0.000 0.290 298 I C -0.969 174.809 176.117 -0.566 0.000 1.008 298 I CA -0.271 60.722 61.300 -0.511 0.000 1.226 298 I CB 0.766 38.381 38.000 -0.641 0.000 1.371 298 I HN 0.334 nan 8.210 nan 0.000 0.468 299 F N 4.417 124.256 119.950 -0.186 0.000 2.390 299 F HA 0.404 4.931 4.527 0.001 0.000 0.361 299 F C 0.835 176.476 175.800 -0.266 0.000 1.124 299 F CA -0.328 57.513 58.000 -0.264 0.000 1.149 299 F CB 0.839 39.687 39.000 -0.253 0.000 1.160 299 F HN 0.474 nan 8.300 nan 0.000 0.501 300 E N 3.928 124.008 120.200 -0.201 0.000 2.146 300 E HA 0.364 4.714 4.350 0.001 0.000 0.282 300 E C -1.041 175.402 176.600 -0.261 0.000 0.989 300 E CA -0.464 55.901 56.400 -0.059 0.000 0.799 300 E CB 1.201 30.921 29.700 0.034 0.000 1.088 300 E HN 0.357 nan 8.360 nan 0.000 0.397 301 F N 1.093 121.199 119.950 0.260 0.000 2.483 301 F HA 0.133 4.661 4.527 0.001 0.000 0.329 301 F C 1.625 177.548 175.800 0.204 0.000 1.064 301 F CA -0.734 57.405 58.000 0.232 0.000 0.986 301 F CB 1.219 40.490 39.000 0.452 0.000 1.218 301 F HN 0.432 nan 8.300 nan 0.000 0.484 302 E N 1.378 121.779 120.200 0.335 0.000 2.023 302 E HA -0.164 4.187 4.350 0.001 0.000 0.196 302 E C -0.225 176.549 176.600 0.290 0.000 1.003 302 E CA 1.718 58.300 56.400 0.304 0.000 0.809 302 E CB -0.022 29.805 29.700 0.212 0.000 0.755 302 E HN 0.682 nan 8.360 nan 0.000 0.449 303 E N -1.755 118.579 120.200 0.224 0.000 2.408 303 E HA 0.336 4.686 4.350 0.001 0.000 0.275 303 E C -1.319 175.210 176.600 -0.118 0.000 0.935 303 E CA -0.930 55.513 56.400 0.071 0.000 0.775 303 E CB 1.053 30.765 29.700 0.020 0.000 1.277 303 E HN 0.151 nan 8.360 nan 0.000 0.455 304 C N 2.171 121.245 119.300 -0.377 0.000 2.482 304 C HA 0.545 5.005 4.460 0.001 0.000 0.378 304 C C 0.718 175.220 174.990 -0.813 0.000 1.284 304 C CA -0.167 58.203 59.018 -1.081 0.000 1.826 304 C CB -1.482 25.664 27.740 -0.990 0.000 2.473 304 C HN 0.732 nan 8.230 nan 0.000 0.562 305 C N 4.328 123.120 119.300 -0.846 0.000 3.214 305 C HA 0.580 5.040 4.460 0.001 0.000 0.261 305 C C -0.558 174.340 174.990 -0.154 0.000 2.279 305 C CA -0.891 57.919 59.018 -0.347 0.000 1.606 305 C CB -2.452 25.209 27.740 -0.132 0.000 3.251 305 C HN 0.978 nan 8.230 nan 0.000 0.443 306 W N -0.703 120.568 121.300 -0.048 0.000 3.017 306 W HA 0.791 5.452 4.660 0.001 0.000 0.341 306 W C -0.214 176.282 176.519 -0.038 0.000 1.180 306 W CA -1.338 55.980 57.345 -0.045 0.000 1.097 306 W CB 0.134 29.570 29.460 -0.040 0.000 1.468 306 W HN 0.032 nan 8.180 nan 0.000 0.584 307 S N 1.077 116.946 115.700 0.281 0.000 2.549 307 S HA 0.155 4.626 4.470 0.001 0.000 0.279 307 S C 0.020 174.756 174.600 0.226 0.000 1.321 307 S CA -0.236 58.059 58.200 0.158 0.000 1.054 307 S CB -0.048 63.214 63.200 0.102 0.000 0.899 307 S HN 0.483 nan 8.310 nan 0.000 0.497 308 N N 3.492 122.252 118.700 0.101 0.000 2.546 308 N HA 0.116 4.856 4.740 0.001 0.000 0.286 308 N C 0.982 176.510 175.510 0.030 0.000 1.259 308 N CA -0.127 52.971 53.050 0.080 0.000 0.939 308 N CB 0.578 39.079 38.487 0.023 0.000 1.243 308 N HN 0.804 nan 8.380 nan 0.000 0.511 309 E N -0.078 120.139 120.200 0.029 0.000 2.051 309 E HA -0.079 4.272 4.350 0.001 0.000 0.192 309 E C 0.056 176.648 176.600 -0.014 0.000 0.991 309 E CA 0.778 57.180 56.400 0.004 0.000 0.799 309 E CB 0.314 30.017 29.700 0.004 0.000 0.748 309 E HN 0.128 nan 8.360 nan 0.000 0.449 310 S N -1.823 113.861 115.700 -0.027 0.000 2.627 310 S HA 0.259 4.730 4.470 0.001 0.000 0.283 310 S C 0.049 174.594 174.600 -0.090 0.000 1.127 310 S CA -0.220 57.945 58.200 -0.058 0.000 0.863 310 S CB 1.811 64.963 63.200 -0.080 0.000 1.121 310 S HN 0.180 nan 8.310 nan 0.000 0.479 311 S N 1.448 117.078 115.700 -0.115 0.000 2.554 311 S HA 0.410 4.881 4.470 0.001 0.000 0.226 311 S C -0.268 174.203 174.600 -0.216 0.000 0.980 311 S CA -0.395 57.710 58.200 -0.158 0.000 0.939 311 S CB -0.118 63.005 63.200 -0.128 0.000 0.832 311 S HN 0.470 nan 8.310 nan 0.000 0.486 312 K N 1.684 121.923 120.400 -0.268 0.000 2.502 312 K HA 0.569 4.889 4.320 0.001 0.000 0.254 312 K C -1.303 175.057 176.600 -0.399 0.000 0.947 312 K CA -0.206 55.821 56.287 -0.434 0.000 0.834 312 K CB 1.864 33.828 32.500 -0.892 0.000 1.112 312 K HN 0.294 nan 8.250 nan 0.000 0.427 313 I N 1.972 122.431 120.570 -0.186 0.000 2.533 313 I HA 0.379 4.549 4.170 0.001 0.000 0.290 313 I C -0.621 175.625 176.117 0.216 0.000 1.056 313 I CA -1.285 59.988 61.300 -0.044 0.000 1.057 313 I CB 2.361 40.349 38.000 -0.020 0.000 1.240 313 I HN 0.039 nan 8.210 nan 0.000 0.423 314 V N 3.726 123.770 119.914 0.216 0.000 2.483 314 V HA 0.393 4.514 4.120 0.001 0.000 0.297 314 V C 0.033 176.359 176.094 0.386 0.000 1.027 314 V CA -0.575 61.984 62.300 0.431 0.000 0.855 314 V CB 2.180 34.334 31.823 0.552 0.000 0.995 314 V HN 0.849 nan 8.190 nan 0.000 0.424 315 T N 4.133 118.912 114.554 0.375 0.000 2.771 315 T HA 0.690 5.041 4.350 0.001 0.000 0.291 315 T C -0.305 174.591 174.700 0.326 0.000 0.954 315 T CA -0.546 61.728 62.100 0.290 0.000 1.045 315 T CB 0.589 69.513 68.868 0.094 0.000 0.917 315 T HN 0.352 nan 8.240 nan 0.000 0.484 316 L N 2.672 124.120 121.223 0.375 0.000 2.417 316 L HA 0.574 4.914 4.340 0.001 0.000 0.268 316 L C 1.121 178.204 176.870 0.356 0.000 1.158 316 L CA -1.087 53.942 54.840 0.315 0.000 0.819 316 L CB 0.386 42.618 42.059 0.288 0.000 1.112 316 L HN 0.868 nan 8.230 nan 0.000 0.458 317 A N 2.482 125.430 122.820 0.214 0.000 2.332 317 A HA 0.259 4.579 4.320 0.001 0.000 0.258 317 A C 0.042 177.733 177.584 0.178 0.000 1.087 317 A CA -0.623 51.544 52.037 0.217 0.000 0.802 317 A CB 0.072 19.113 19.000 0.069 0.000 1.042 317 A HN 0.782 nan 8.150 nan 0.000 0.489 318 N N 0.648 119.446 118.700 0.163 0.000 2.395 318 N HA 0.224 4.965 4.740 0.001 0.000 0.246 318 N C 0.273 175.770 175.510 -0.022 0.000 1.246 318 N CA 0.861 53.932 53.050 0.036 0.000 0.879 318 N CB 0.553 39.033 38.487 -0.013 0.000 1.098 318 N HN 0.781 nan 8.380 nan 0.000 0.444 319 S N -1.173 114.480 115.700 -0.078 0.000 2.704 319 S HA 0.820 5.291 4.470 0.001 0.000 0.296 319 S C -0.297 174.231 174.600 -0.121 0.000 1.138 319 S CA -0.854 57.251 58.200 -0.159 0.000 0.875 319 S CB 1.900 64.915 63.200 -0.308 0.000 1.151 319 S HN 0.616 nan 8.310 nan 0.000 0.500 320 T N -3.578 110.929 114.554 -0.078 0.000 2.900 320 T HA 0.619 4.970 4.350 0.001 0.000 0.303 320 T C 0.680 175.397 174.700 0.028 0.000 1.142 320 T CA -0.224 61.866 62.100 -0.017 0.000 1.007 320 T CB 0.768 69.654 68.868 0.030 0.000 1.156 320 T HN 0.916 nan 8.240 nan 0.000 0.490 321 N N 0.585 119.289 118.700 0.007 0.000 2.459 321 N HA -0.022 4.719 4.740 0.001 0.000 0.181 321 N C 1.466 176.996 175.510 0.033 0.000 1.046 321 N CA 1.404 54.464 53.050 0.016 0.000 0.904 321 N CB -0.886 37.601 38.487 0.000 0.000 0.964 321 N HN 0.835 nan 8.380 nan 0.000 0.444 322 E N -0.444 119.783 120.200 0.045 0.000 2.110 322 E HA -0.026 4.324 4.350 0.001 0.000 0.193 322 E C 1.565 178.193 176.600 0.047 0.000 0.988 322 E CA 0.794 57.216 56.400 0.036 0.000 0.804 322 E CB -0.477 29.249 29.700 0.043 0.000 0.745 322 E HN 0.763 nan 8.360 nan 0.000 0.458 323 F N 0.607 120.541 119.950 -0.027 0.000 2.102 323 F HA -0.222 4.306 4.527 0.001 0.000 0.298 323 F C 1.917 177.701 175.800 -0.028 0.000 1.105 323 F CA 1.081 59.072 58.000 -0.015 0.000 1.239 323 F CB -0.236 38.761 39.000 -0.005 0.000 0.991 323 F HN -0.139 nan 8.300 nan 0.000 0.474 324 V N 0.784 120.683 119.914 -0.024 0.000 2.332 324 V HA -0.301 3.820 4.120 0.001 0.000 0.248 324 V C 2.789 178.772 176.094 -0.186 0.000 1.055 324 V CA 2.465 64.696 62.300 -0.116 0.000 1.038 324 V CB -1.867 29.955 31.823 -0.003 0.000 0.651 324 V HN 0.560 nan 8.190 nan 0.000 0.450 325 E N 0.126 120.251 120.200 -0.126 0.000 2.085 325 E HA -0.241 4.109 4.350 0.001 0.000 0.194 325 E C 1.968 178.473 176.600 -0.158 0.000 0.994 325 E CA 1.948 58.279 56.400 -0.114 0.000 0.801 325 E CB -0.658 29.000 29.700 -0.071 0.000 0.743 325 E HN 0.671 nan 8.360 nan 0.000 0.453 326 I N 0.294 120.741 120.570 -0.205 0.000 2.315 326 I HA -0.196 3.975 4.170 0.001 0.000 0.248 326 I C 2.562 178.509 176.117 -0.283 0.000 1.117 326 I CA 0.907 62.076 61.300 -0.219 0.000 1.404 326 I CB -0.056 37.817 38.000 -0.212 0.000 1.071 326 I HN 0.201 nan 8.210 nan 0.000 0.419 327 V N 0.741 120.402 119.914 -0.421 0.000 2.358 327 V HA -0.194 3.927 4.120 0.001 0.000 0.246 327 V C 2.599 178.547 176.094 -0.242 0.000 1.047 327 V CA 1.539 63.609 62.300 -0.383 0.000 1.035 327 V CB -0.658 30.878 31.823 -0.478 0.000 0.658 327 V HN 0.355 nan 8.190 nan 0.000 0.452 328 R N 0.736 121.112 120.500 -0.207 0.000 2.115 328 R HA -0.046 4.294 4.340 0.001 0.000 0.230 328 R C 1.665 177.886 176.300 -0.133 0.000 1.111 328 R CA 1.092 57.100 56.100 -0.154 0.000 0.976 328 R CB -0.677 29.548 30.300 -0.124 0.000 0.870 328 R HN 0.549 nan 8.270 nan 0.000 0.445 329 N N 0.238 118.860 118.700 -0.130 0.000 2.299 329 N HA 0.069 4.809 4.740 0.001 0.000 0.187 329 N C 0.118 175.567 175.510 -0.102 0.000 1.099 329 N CA 0.142 53.129 53.050 -0.104 0.000 0.867 329 N CB 0.360 38.795 38.487 -0.088 0.000 0.974 329 N HN 0.045 nan 8.380 nan 0.000 0.477 330 A N 1.027 123.774 122.820 -0.122 0.000 2.511 330 A HA 0.402 4.722 4.320 0.001 0.000 0.242 330 A C 1.370 178.896 177.584 -0.096 0.000 1.069 330 A CA 0.531 52.502 52.037 -0.109 0.000 0.763 330 A CB 0.193 nan 19.000 nan 0.000 1.001 330 A HN 0.396 nan 8.150 nan 0.000 0.498 331 E N 2.008 122.162 120.200 -0.076 0.000 2.140 331 E HA 0.041 4.392 4.350 0.001 0.000 0.191 331 E C 0.630 177.190 176.600 -0.066 0.000 0.973 331 E CA 1.303 57.663 56.400 -0.067 0.000 0.829 331 E CB -0.458 29.211 29.700 -0.052 0.000 0.781 331 E HN 0.970 nan 8.360 nan 0.000 0.466 332 N N -2.421 116.241 118.700 -0.064 0.000 3.449 332 N HA 0.210 4.950 4.740 0.001 0.000 0.312 332 N C 0.454 175.926 175.510 -0.064 0.000 1.582 332 N CA -0.537 52.478 53.050 -0.060 0.000 0.850 332 N CB 0.654 39.115 38.487 -0.043 0.000 1.822 332 N HN -0.014 nan 8.380 nan 0.000 0.577 333 L N 1.202 122.392 121.223 -0.055 0.000 2.056 333 L HA -0.075 4.265 4.340 0.001 0.000 0.207 333 L C 1.262 178.105 176.870 -0.046 0.000 1.078 333 L CA 2.061 56.865 54.840 -0.059 0.000 0.749 333 L CB -1.570 40.460 42.059 -0.048 0.000 0.901 333 L HN 0.593 nan 8.230 nan 0.000 0.433 334 D N -0.444 119.937 120.400 -0.033 0.000 2.092 334 D HA -0.268 4.373 4.640 0.001 0.000 0.193 334 D C 2.072 178.357 176.300 -0.025 0.000 0.994 334 D CA 1.605 55.592 54.000 -0.023 0.000 0.828 334 D CB -0.045 40.744 40.800 -0.018 0.000 0.963 334 D HN 0.404 nan 8.370 nan 0.000 0.450 335 E N -0.139 120.041 120.200 -0.034 0.000 2.110 335 E HA -0.168 4.182 4.350 0.001 0.000 0.193 335 E C 1.980 178.555 176.600 -0.042 0.000 0.988 335 E CA 0.364 56.742 56.400 -0.036 0.000 0.804 335 E CB -0.055 29.619 29.700 -0.043 0.000 0.745 335 E HN 0.134 nan 8.360 nan 0.000 0.458 336 L N 1.798 122.987 121.223 -0.057 0.000 2.042 336 L HA -0.187 4.154 4.340 0.001 0.000 0.210 336 L C 2.140 178.994 176.870 -0.026 0.000 1.076 336 L CA 2.907 57.706 54.840 -0.068 0.000 0.749 336 L CB -1.096 40.902 42.059 -0.101 0.000 0.893 336 L HN 0.310 nan 8.230 nan 0.000 0.432 337 D N -1.552 118.842 120.400 -0.010 0.000 2.117 337 D HA -0.133 4.507 4.640 0.001 0.000 0.198 337 D C 2.170 178.483 176.300 0.023 0.000 0.982 337 D CA 1.892 55.910 54.000 0.030 0.000 0.828 337 D CB -0.934 39.882 40.800 0.027 0.000 0.967 337 D HN 0.701 nan 8.370 nan 0.000 0.464 338 S N 0.192 115.893 115.700 0.002 0.000 2.359 338 S HA -0.143 4.327 4.470 0.001 0.000 0.222 338 S C 2.243 176.842 174.600 -0.000 0.000 1.038 338 S CA 2.264 60.463 58.200 -0.001 0.000 1.051 338 S CB -0.579 nan 63.200 nan 0.000 0.944 338 S HN 0.530 nan 8.310 nan 0.000 0.433 339 M N 0.433 120.027 119.600 -0.011 0.000 2.159 339 M HA 0.007 4.488 4.480 0.001 0.000 0.263 339 M C 2.165 178.469 176.300 0.007 0.000 1.063 339 M CA 0.923 56.215 55.300 -0.013 0.000 1.110 339 M CB -0.468 32.109 32.600 -0.038 0.000 1.374 339 M HN 0.351 nan 8.290 nan 0.000 0.411 340 L N 0.649 121.888 121.223 0.027 0.000 2.131 340 L HA -0.142 4.199 4.340 0.001 0.000 0.210 340 L C 1.931 178.837 176.870 0.060 0.000 1.092 340 L CA 0.961 55.846 54.840 0.076 0.000 0.759 340 L CB -0.957 41.187 42.059 0.142 0.000 0.903 340 L HN 0.375 nan 8.230 nan 0.000 0.435 341 E N 1.270 121.492 120.200 0.037 0.000 2.053 341 E HA 0.353 4.704 4.350 0.001 0.000 0.297 341 E C 0.490 177.100 176.600 0.017 0.000 1.173 341 E CA 0.344 56.757 56.400 0.021 0.000 1.219 341 E CB -1.082 28.626 29.700 0.013 0.000 1.103 341 E HN 0.448 nan 8.360 nan 0.000 0.476 342 R N 0.345 120.859 120.500 0.023 0.000 2.494 342 R HA 0.665 5.005 4.340 0.001 0.000 0.284 342 R C 0.190 176.501 176.300 0.019 0.000 1.525 342 R CA 0.251 56.362 56.100 0.018 0.000 1.460 342 R CB -0.376 29.937 30.300 0.022 0.000 1.134 342 R HN 0.907 nan 8.270 nan 0.000 0.592 350 S N 0.402 116.110 115.700 0.014 0.000 2.564 350 S HA 0.505 4.975 4.470 0.001 0.000 0.263 350 S C 0.581 175.189 174.600 0.013 0.000 1.378 350 S CA 0.558 58.767 58.200 0.015 0.000 0.996 350 S CB -0.278 nan 63.200 nan 0.000 0.881 350 S HN 1.266 nan 8.310 nan 0.000 0.555 351 V N 2.596 122.514 119.914 0.007 0.000 2.465 351 V HA 0.581 4.702 4.120 0.001 0.000 0.279 351 V C 0.893 177.035 176.094 0.080 0.000 1.045 351 V CA 0.197 62.512 62.300 0.024 0.000 0.938 351 V CB 0.636 32.441 31.823 -0.029 0.000 0.986 351 V HN 1.114 nan 8.190 nan 0.000 0.467 352 T N 0.459 115.019 114.554 0.009 0.000 2.858 352 T HA 0.200 4.551 4.350 0.001 0.000 0.285 352 T C 1.169 175.622 174.700 -0.413 0.000 1.052 352 T CA -0.047 61.886 62.100 -0.277 0.000 1.009 352 T CB 1.295 70.059 68.868 -0.173 0.000 1.241 352 T HN 0.819 nan 8.240 nan 0.000 0.542 353 C N -1.743 116.964 119.300 -0.988 0.000 2.485 353 C HA 0.241 4.701 4.460 0.001 0.000 0.283 353 C C 1.217 175.874 174.990 -0.553 0.000 1.478 353 C CA -0.653 57.907 59.018 -0.763 0.000 1.741 353 C CB -2.357 24.804 27.740 -0.965 0.000 1.675 353 C HN 0.779 nan 8.230 nan 0.000 0.573 354 W N 0.488 121.706 121.300 -0.138 0.000 2.862 354 W HA 0.307 4.968 4.660 0.001 0.000 0.376 354 W C 2.051 178.556 176.519 -0.024 0.000 1.028 354 W CA -0.212 57.103 57.345 -0.050 0.000 1.757 354 W CB -0.044 29.376 29.460 -0.066 0.000 1.128 354 W HN 0.074 nan 8.180 nan 0.000 0.566 355 S N 0.491 116.269 115.700 0.130 0.000 2.470 355 S HA -0.027 4.444 4.470 0.001 0.000 0.225 355 S C 0.771 175.418 174.600 0.078 0.000 1.006 355 S CA 0.607 58.867 58.200 0.099 0.000 0.934 355 S CB -0.088 63.156 63.200 0.074 0.000 0.778 355 S HN 0.215 nan 8.310 nan 0.000 0.517 356 Q N 0.225 120.073 119.800 0.081 0.000 2.462 356 Q HA 0.447 4.787 4.340 0.001 0.000 0.285 356 Q C -3.517 172.530 176.000 0.078 0.000 1.035 356 Q CA -2.576 53.257 55.803 0.051 0.000 0.799 356 Q CB 0.612 29.388 28.738 0.064 0.000 1.452 356 Q HN -0.077 nan 8.270 nan 0.000 0.404 357 P HA 0.313 nan 4.420 nan 0.000 0.271 357 P C -0.659 176.751 177.300 0.183 0.000 1.218 357 P CA -0.154 63.030 63.100 0.139 0.000 0.780 357 P CB 0.873 32.646 31.700 0.122 0.000 0.901 358 L N 2.543 123.915 121.223 0.248 0.000 2.381 358 L HA 0.503 4.844 4.340 0.001 0.000 0.268 358 L C -0.428 176.658 176.870 0.360 0.000 0.997 358 L CA -0.982 53.996 54.840 0.231 0.000 0.818 358 L CB 1.974 44.167 42.059 0.224 0.000 1.310 358 L HN 0.287 nan 8.230 nan 0.000 0.416 359 F N 3.194 123.162 119.950 0.031 0.000 2.403 359 F HA 0.598 5.126 4.527 0.001 0.000 0.355 359 F C -1.255 174.532 175.800 -0.022 0.000 1.119 359 F CA -1.203 56.863 58.000 0.110 0.000 1.007 359 F CB 0.711 39.788 39.000 0.128 0.000 1.194 359 F HN 0.058 nan 8.300 nan 0.000 0.443 360 F N 5.138 124.970 119.950 -0.198 0.000 2.443 360 F HA 0.594 5.122 4.527 0.001 0.000 0.335 360 F C -0.356 175.140 175.800 -0.506 0.000 1.104 360 F CA -1.216 56.627 58.000 -0.263 0.000 1.013 360 F CB 1.728 40.742 39.000 0.022 0.000 1.136 360 F HN 0.081 nan 8.300 nan 0.000 0.470 361 V N 2.885 122.628 119.914 -0.285 0.000 2.347 361 V HA 0.195 4.315 4.120 0.001 0.000 0.280 361 V C 0.006 175.918 176.094 -0.304 0.000 1.021 361 V CA -1.005 61.097 62.300 -0.330 0.000 0.847 361 V CB 1.238 32.888 31.823 -0.289 0.000 0.990 361 V HN 0.797 nan 8.190 nan 0.000 0.444 362 N N 4.922 123.378 118.700 -0.407 0.000 2.508 362 N HA 0.181 4.921 4.740 0.001 0.000 0.253 362 N C 0.966 176.256 175.510 -0.367 0.000 1.145 362 N CA -0.461 52.187 53.050 -0.670 0.000 0.973 362 N CB 0.533 38.684 38.487 -0.560 0.000 1.305 362 N HN 0.689 nan 8.380 nan 0.000 0.506 363 L N 2.083 123.133 121.223 -0.288 0.000 2.353 363 L HA -0.145 4.195 4.340 0.001 0.000 0.220 363 L C 2.560 179.395 176.870 -0.059 0.000 1.133 363 L CA 0.431 55.178 54.840 -0.154 0.000 0.798 363 L CB -0.434 41.610 42.059 -0.024 0.000 0.922 363 L HN 0.545 nan 8.230 nan 0.000 0.445 364 S N 0.388 116.090 115.700 0.003 0.000 2.374 364 S HA -0.283 4.187 4.470 0.001 0.000 0.227 364 S C 2.118 176.717 174.600 -0.000 0.000 1.037 364 S CA 1.951 60.188 58.200 0.061 0.000 1.024 364 S CB -0.055 63.255 63.200 0.184 0.000 0.861 364 S HN 0.464 nan 8.310 nan 0.000 0.456 365 K N -0.196 120.192 120.400 -0.020 0.000 2.116 365 K HA 0.065 4.385 4.320 0.001 0.000 0.203 365 K C 2.051 178.631 176.600 -0.032 0.000 1.052 365 K CA 1.370 57.641 56.287 -0.027 0.000 0.952 365 K CB -0.197 32.286 32.500 -0.029 0.000 0.729 365 K HN 0.371 nan 8.250 nan 0.000 0.446 366 S N -0.236 115.425 115.700 -0.065 0.000 2.406 366 S HA -0.065 4.406 4.470 0.001 0.000 0.224 366 S C 1.690 176.276 174.600 -0.022 0.000 1.030 366 S CA 1.411 59.577 58.200 -0.056 0.000 0.958 366 S CB 0.355 63.462 63.200 -0.154 0.000 0.811 366 S HN 0.637 nan 8.310 nan 0.000 0.489 367 T N -3.153 111.382 114.554 -0.032 0.000 2.986 367 T HA 0.482 4.832 4.350 0.001 0.000 0.264 367 T C 1.335 176.038 174.700 0.005 0.000 0.964 367 T CA 0.742 62.845 62.100 0.005 0.000 0.895 367 T CB 0.539 69.421 68.868 0.024 0.000 1.163 367 T HN 0.562 nan 8.240 nan 0.000 0.517 368 G N 1.188 109.988 108.800 0.001 0.000 2.143 368 G HA2 -0.201 3.759 3.960 0.001 0.000 0.249 368 G HA3 -0.201 3.759 3.960 0.001 0.000 0.249 368 G C -0.054 174.863 174.900 0.028 0.000 0.981 368 G CA -0.028 45.074 45.100 0.003 0.000 0.665 368 G HN 0.820 nan 8.290 nan 0.000 0.528 369 V N 0.829 120.778 119.914 0.059 0.000 2.407 369 V HA 0.684 4.804 4.120 0.001 0.000 0.278 369 V C 1.101 177.326 176.094 0.219 0.000 1.037 369 V CA -0.092 62.280 62.300 0.120 0.000 0.900 369 V CB 1.526 33.413 31.823 0.107 0.000 0.983 369 V HN 1.084 nan 8.190 nan 0.000 0.459 370 A N 4.221 127.209 122.820 0.280 0.000 3.046 370 A HA 0.494 4.815 4.320 0.001 0.000 0.259 370 A C 0.578 178.598 177.584 0.727 0.000 1.843 370 A CA 0.166 52.486 52.037 0.471 0.000 1.451 370 A CB -0.681 18.533 19.000 0.356 0.000 1.025 370 A HN 0.731 nan 8.150 nan 0.000 0.625 371 S N -0.578 115.485 115.700 0.605 0.000 2.556 371 S HA 0.727 5.197 4.470 0.001 0.000 0.271 371 S C -1.143 173.719 174.600 0.436 0.000 1.135 371 S CA -0.475 58.109 58.200 0.641 0.000 0.858 371 S CB 1.076 64.603 63.200 0.545 0.000 1.114 371 S HN 0.316 nan 8.310 nan 0.000 0.468 372 F N 1.968 122.103 119.950 0.308 0.000 2.444 372 F HA 0.529 5.056 4.527 0.001 0.000 0.342 372 F C 0.212 176.094 175.800 0.137 0.000 1.121 372 F CA -0.758 57.367 58.000 0.208 0.000 0.997 372 F CB 1.434 40.600 39.000 0.277 0.000 1.130 372 F HN 0.376 nan 8.300 nan 0.000 0.454 373 M N 6.195 125.885 119.600 0.150 0.000 2.080 373 M HA 0.439 4.919 4.480 0.001 0.000 0.350 373 M C -1.264 174.984 176.300 -0.087 0.000 1.173 373 M CA -0.188 55.117 55.300 0.008 0.000 1.052 373 M CB 0.811 33.413 32.600 0.003 0.000 1.577 373 M HN 0.706 nan 8.290 nan 0.000 0.455 374 M N 5.217 124.710 119.600 -0.179 0.000 2.294 374 M HA 0.449 4.929 4.480 0.001 0.000 0.335 374 M C -1.959 174.183 176.300 -0.263 0.000 1.079 374 M CA -0.892 54.151 55.300 -0.428 0.000 0.982 374 M CB 1.339 33.513 32.600 -0.710 0.000 1.651 374 M HN 0.642 nan 8.290 nan 0.000 0.437 375 L N 5.897 127.027 121.223 -0.156 0.000 2.334 375 L HA 0.669 5.009 4.340 0.001 0.000 0.275 375 L C -0.177 176.726 176.870 0.055 0.000 1.036 375 L CA -0.125 54.747 54.840 0.053 0.000 0.807 375 L CB 1.837 44.062 42.059 0.278 0.000 1.231 375 L HN 0.802 nan 8.230 nan 0.000 0.438 376 M N 1.309 120.962 119.600 0.087 0.000 2.618 376 M HA 0.714 5.194 4.480 0.001 0.000 0.281 376 M C -1.271 175.103 176.300 0.122 0.000 1.267 376 M CA -0.831 54.534 55.300 0.108 0.000 0.845 376 M CB 2.410 35.074 32.600 0.106 0.000 1.732 376 M HN 0.527 nan 8.290 nan 0.000 0.461 377 Q N 1.731 121.605 119.800 0.123 0.000 2.486 377 Q HA 0.864 5.204 4.340 0.001 0.000 0.274 377 Q C -1.323 174.739 176.000 0.103 0.000 1.076 377 Q CA -0.779 55.093 55.803 0.116 0.000 0.872 377 Q CB 1.678 30.494 28.738 0.130 0.000 1.383 377 Q HN 0.938 nan 8.270 nan 0.000 0.478 378 A N 1.359 124.239 122.820 0.099 0.000 2.316 378 A HA 0.483 4.803 4.320 0.001 0.000 0.284 378 A C -1.718 175.916 177.584 0.084 0.000 1.115 378 A CA -1.263 50.830 52.037 0.092 0.000 0.812 378 A CB 0.169 19.229 19.000 0.100 0.000 1.064 378 A HN 0.737 nan 8.150 nan 0.000 0.489 379 P HA -0.054 nan 4.420 nan 0.000 0.236 379 P C 1.291 178.637 177.300 0.075 0.000 1.177 379 P CA 0.273 63.412 63.100 0.066 0.000 0.773 379 P CB 0.166 31.894 31.700 0.047 0.000 0.878 380 L N 0.922 122.188 121.223 0.071 0.000 2.042 380 L HA -0.121 4.219 4.340 0.001 0.000 0.210 380 L C 2.245 179.166 176.870 0.086 0.000 1.076 380 L CA 2.267 57.145 54.840 0.063 0.000 0.749 380 L CB -1.703 40.402 42.059 0.077 0.000 0.893 380 L HN -0.087 nan 8.230 nan 0.000 0.432 381 T N 0.134 114.742 114.554 0.091 0.000 2.699 381 T HA -0.212 4.138 4.350 0.001 0.000 0.268 381 T C 1.587 176.331 174.700 0.073 0.000 1.036 381 T CA 2.024 64.175 62.100 0.086 0.000 1.147 381 T CB -0.533 68.392 68.868 0.095 0.000 0.862 381 T HN 0.504 nan 8.240 nan 0.000 0.446 382 N N 0.396 119.144 118.700 0.080 0.000 2.120 382 N HA -0.126 4.615 4.740 0.001 0.000 0.188 382 N C 1.780 177.315 175.510 0.042 0.000 1.024 382 N CA 1.107 54.194 53.050 0.062 0.000 0.852 382 N CB -0.407 38.123 38.487 0.071 0.000 1.003 382 N HN 0.459 nan 8.380 nan 0.000 0.424 383 H N 0.929 119.980 119.070 -0.031 0.000 2.326 383 H HA 0.019 4.575 4.556 0.001 0.000 0.301 383 H C 1.610 176.875 175.328 -0.105 0.000 1.081 383 H CA 1.105 57.112 56.048 -0.068 0.000 1.334 383 H CB -0.009 29.700 29.762 -0.089 0.000 1.385 383 H HN 0.083 nan 8.280 nan 0.000 0.504 384 I N 1.455 122.059 120.570 0.055 0.000 2.394 384 I HA -0.164 4.006 4.170 0.001 0.000 0.251 384 I C 2.146 178.226 176.117 -0.063 0.000 1.136 384 I CA 0.979 62.270 61.300 -0.013 0.000 1.425 384 I CB -0.884 37.145 38.000 0.049 0.000 1.079 384 I HN 0.359 nan 8.210 nan 0.000 0.425 385 E N 0.552 120.721 120.200 -0.052 0.000 2.216 385 E HA -0.105 4.245 4.350 0.001 0.000 0.192 385 E C 2.084 178.626 176.600 -0.097 0.000 0.988 385 E CA 1.173 57.531 56.400 -0.069 0.000 0.834 385 E CB -0.007 29.668 29.700 -0.043 0.000 0.772 385 E HN 0.470 nan 8.360 nan 0.000 0.479 386 S N 1.159 116.783 115.700 -0.126 0.000 2.555 386 S HA -0.059 4.411 4.470 0.001 0.000 0.230 386 S C 1.650 176.147 174.600 -0.171 0.000 0.978 386 S CA 0.475 58.587 58.200 -0.148 0.000 0.934 386 S CB -0.497 62.598 63.200 -0.175 0.000 0.766 386 S HN 0.439 nan 8.310 nan 0.000 0.533 387 I N -1.726 118.736 120.570 -0.180 0.000 3.813 387 I HA 0.397 4.567 4.170 0.001 0.000 0.323 387 I C 1.300 177.364 176.117 -0.087 0.000 1.536 387 I CA -0.763 60.452 61.300 -0.142 0.000 1.083 387 I CB 0.169 38.061 38.000 -0.180 0.000 1.265 387 I HN 0.104 nan 8.210 nan 0.000 0.507 388 R N 0.427 120.874 120.500 -0.088 0.000 2.397 388 R HA -0.055 4.285 4.340 0.001 0.000 0.213 388 R C 1.148 177.408 176.300 -0.066 0.000 1.102 388 R CA 1.258 57.311 56.100 -0.078 0.000 1.040 388 R CB -0.250 29.991 30.300 -0.099 0.000 0.844 388 R HN 0.355 nan 8.270 nan 0.000 0.478 389 E N 0.918 121.084 120.200 -0.056 0.000 2.307 389 E HA -0.010 4.340 4.350 0.001 0.000 0.195 389 E C -0.128 176.457 176.600 -0.024 0.000 0.975 389 E CA 0.312 56.686 56.400 -0.043 0.000 0.878 389 E CB 0.160 29.834 29.700 -0.043 0.000 0.845 389 E HN 0.221 nan 8.360 nan 0.000 0.488 390 D N 0.947 121.338 120.400 -0.015 0.000 2.551 390 D HA -0.024 4.616 4.640 0.001 0.000 0.223 390 D C 0.553 176.875 176.300 0.036 0.000 1.144 390 D CA 0.030 54.035 54.000 0.008 0.000 1.025 390 D CB 0.208 41.014 40.800 0.010 0.000 1.085 390 D HN -0.089 nan 8.370 nan 0.000 0.506 391 K N 1.656 122.073 120.400 0.028 0.000 2.113 391 K HA -0.181 4.139 4.320 0.001 0.000 0.208 391 K C 1.540 178.207 176.600 0.111 0.000 1.047 391 K CA 0.999 57.317 56.287 0.052 0.000 0.928 391 K CB 0.105 32.614 32.500 0.015 0.000 0.716 391 K HN 0.558 nan 8.250 nan 0.000 0.446 392 E N 0.200 120.453 120.200 0.088 0.000 2.106 392 E HA -0.152 4.198 4.350 0.001 0.000 0.192 392 E C 2.219 178.933 176.600 0.189 0.000 0.984 392 E CA 0.686 57.157 56.400 0.119 0.000 0.806 392 E CB -0.062 29.678 29.700 0.066 0.000 0.750 392 E HN 0.226 nan 8.360 nan 0.000 0.458 393 R N 0.782 121.371 120.500 0.149 0.000 2.115 393 R HA -0.085 4.256 4.340 0.001 0.000 0.230 393 R C 2.252 178.691 176.300 0.232 0.000 1.111 393 R CA 0.618 56.817 56.100 0.165 0.000 0.976 393 R CB -0.026 30.340 30.300 0.111 0.000 0.870 393 R HN 0.143 nan 8.270 nan 0.000 0.445 394 L N -0.268 121.103 121.223 0.247 0.000 1.994 394 L HA -0.179 4.162 4.340 0.001 0.000 0.208 394 L C 2.285 179.453 176.870 0.497 0.000 1.071 394 L CA 1.334 56.394 54.840 0.367 0.000 0.745 394 L CB -0.619 41.611 42.059 0.285 0.000 0.892 394 L HN 0.180 nan 8.230 nan 0.000 0.431 395 F N 0.913 121.030 119.950 0.278 0.000 2.065 395 F HA -0.309 4.218 4.527 0.001 0.000 0.298 395 F C 2.670 178.597 175.800 0.211 0.000 1.112 395 F CA 2.041 60.194 58.000 0.255 0.000 1.212 395 F CB -0.314 38.770 39.000 0.140 0.000 0.975 395 F HN -0.025 nan 8.300 nan 0.000 0.476 396 S N 0.248 116.118 115.700 0.284 0.000 2.370 396 S HA -0.249 4.221 4.470 0.001 0.000 0.226 396 S C 1.833 176.430 174.600 -0.005 0.000 1.033 396 S CA 1.536 59.813 58.200 0.128 0.000 1.011 396 S CB -1.001 62.308 63.200 0.180 0.000 0.852 396 S HN 0.517 nan 8.310 nan 0.000 0.457 397 F N 1.196 121.093 119.950 -0.087 0.000 2.113 397 F HA 0.006 4.533 4.527 0.001 0.000 0.297 397 F C 1.383 176.899 175.800 -0.472 0.000 1.103 397 F CA 1.279 59.099 58.000 -0.300 0.000 1.248 397 F CB -0.192 38.549 39.000 -0.431 0.000 0.999 397 F HN 0.132 nan 8.300 nan 0.000 0.475 398 F N -0.113 119.882 119.950 0.075 0.000 2.765 398 F HA 0.095 4.622 4.527 0.001 0.000 0.302 398 F C 2.226 177.816 175.800 -0.350 0.000 1.111 398 F CA 0.225 58.181 58.000 -0.074 0.000 1.359 398 F CB -0.680 38.447 39.000 0.211 0.000 1.097 398 F HN 0.071 nan 8.300 nan 0.000 0.577 399 Q N 1.440 121.034 119.800 -0.343 0.000 2.050 399 Q HA -0.153 4.187 4.340 0.001 0.000 0.202 399 Q C -0.802 175.028 176.000 -0.283 0.000 0.980 399 Q CA 1.780 57.288 55.803 -0.492 0.000 0.840 399 Q CB -0.932 27.470 28.738 -0.560 0.000 0.898 399 Q HN 0.192 nan 8.270 nan 0.000 0.424 400 P HA -0.190 nan 4.420 nan 0.000 0.213 400 P C 1.572 178.846 177.300 -0.043 0.000 1.170 400 P CA 2.333 65.412 63.100 -0.033 0.000 0.902 400 P CB -0.298 31.458 31.700 0.093 0.000 0.789 401 V N -2.951 116.779 119.914 -0.307 0.000 2.427 401 V HA -0.190 3.931 4.120 0.001 0.000 0.248 401 V C 2.284 178.131 176.094 -0.412 0.000 1.051 401 V CA 1.597 63.633 62.300 -0.440 0.000 1.048 401 V CB -1.942 29.506 31.823 -0.624 0.000 0.666 401 V HN 0.006 nan 8.190 nan 0.000 0.456 402 L N 0.659 121.621 121.223 -0.435 0.000 2.127 402 L HA -0.135 4.206 4.340 0.001 0.000 0.211 402 L C 2.636 179.260 176.870 -0.410 0.000 1.089 402 L CA 1.748 56.251 54.840 -0.561 0.000 0.757 402 L CB -0.690 41.037 42.059 -0.555 0.000 0.899 402 L HN 0.419 nan 8.230 nan 0.000 0.434 403 N N -0.214 118.335 118.700 -0.252 0.000 2.290 403 N HA -0.140 4.600 4.740 0.001 0.000 0.179 403 N C 1.782 177.226 175.510 -0.110 0.000 1.016 403 N CA 0.803 53.764 53.050 -0.149 0.000 0.871 403 N CB -0.045 38.397 38.487 -0.076 0.000 0.987 403 N HN 0.083 nan 8.380 nan 0.000 0.431 404 K N 1.300 121.666 120.400 -0.058 0.000 2.211 404 K HA 0.141 4.461 4.320 0.001 0.000 0.203 404 K C 1.793 178.349 176.600 -0.074 0.000 1.050 404 K CA 0.574 56.868 56.287 0.011 0.000 0.945 404 K CB -0.203 32.427 32.500 0.217 0.000 0.732 404 K HN 0.142 nan 8.250 nan 0.000 0.451 405 I N -0.013 120.427 120.570 -0.217 0.000 2.202 405 I HA -0.254 3.916 4.170 0.001 0.000 0.242 405 I C 1.959 177.945 176.117 -0.219 0.000 1.091 405 I CA 0.877 62.007 61.300 -0.284 0.000 1.368 405 I CB -0.237 37.427 38.000 -0.561 0.000 1.058 405 I HN 0.172 nan 8.210 nan 0.000 0.410 406 M N 0.459 119.913 119.600 -0.244 0.000 2.117 406 M HA -0.211 4.270 4.480 0.001 0.000 0.262 406 M C 2.286 178.553 176.300 -0.055 0.000 1.065 406 M CA 1.601 56.813 55.300 -0.145 0.000 1.114 406 M CB -1.215 31.294 32.600 -0.150 0.000 1.361 406 M HN 0.195 nan 8.290 nan 0.000 0.408 407 K N -0.063 120.305 120.400 -0.054 0.000 2.103 407 K HA -0.164 4.157 4.320 0.001 0.000 0.207 407 K C 1.863 178.457 176.600 -0.010 0.000 1.048 407 K CA 1.650 57.925 56.287 -0.021 0.000 0.930 407 K CB 0.005 32.496 32.500 -0.016 0.000 0.716 407 K HN 0.353 nan 8.250 nan 0.000 0.444 408 C N 0.563 119.852 119.300 -0.019 0.000 2.481 408 C HA 0.127 4.587 4.460 0.001 0.000 0.275 408 C C 1.644 176.638 174.990 0.006 0.000 1.419 408 C CA 0.032 59.047 59.018 -0.005 0.000 1.773 408 C CB -0.492 27.244 27.740 -0.007 0.000 1.862 408 C HN 0.426 nan 8.230 nan 0.000 0.530 409 L N 0.755 121.983 121.223 0.008 0.000 2.928 409 L HA 0.189 4.529 4.340 0.001 0.000 0.246 409 L C -0.516 176.403 176.870 0.082 0.000 1.239 409 L CA 0.157 55.030 54.840 0.056 0.000 1.035 409 L CB -0.506 41.602 42.059 0.082 0.000 1.360 409 L HN 0.294 nan 8.230 nan 0.000 0.529 410 D N 0.517 120.945 120.400 0.047 0.000 2.828 410 D HA -0.141 4.499 4.640 0.001 0.000 0.241 410 D C -0.031 176.300 176.300 0.051 0.000 1.142 410 D CA 0.702 54.727 54.000 0.042 0.000 0.755 410 D CB -0.802 40.021 40.800 0.038 0.000 1.014 410 D HN 0.354 nan 8.370 nan 0.000 0.420 411 S N -0.487 115.238 115.700 0.041 0.000 2.757 411 S HA 0.526 4.997 4.470 0.001 0.000 0.285 411 S C -0.412 174.202 174.600 0.023 0.000 1.196 411 S CA -0.930 57.296 58.200 0.044 0.000 0.856 411 S CB 2.365 65.615 63.200 0.083 0.000 1.212 411 S HN 0.212 nan 8.310 nan 0.000 0.516 412 E N 0.402 120.617 120.200 0.025 0.000 2.334 412 E HA 0.429 4.779 4.350 0.001 0.000 0.256 412 E C -1.471 175.138 176.600 0.014 0.000 0.958 412 E CA -0.968 55.443 56.400 0.019 0.000 0.821 412 E CB 0.526 30.243 29.700 0.028 0.000 1.269 412 E HN 0.416 nan 8.360 nan 0.000 0.413 413 D N 0.661 121.073 120.400 0.020 0.000 2.443 413 D HA 0.019 4.660 4.640 0.001 0.000 0.234 413 D C -0.454 175.885 176.300 0.064 0.000 1.172 413 D CA 0.225 54.241 54.000 0.026 0.000 0.878 413 D CB 0.492 41.316 40.800 0.041 0.000 1.204 413 D HN -0.026 nan 8.370 nan 0.000 0.453 414 V N 2.339 122.305 119.914 0.087 0.000 2.732 414 V HA 0.215 4.335 4.120 0.001 0.000 0.297 414 V C 0.715 176.972 176.094 0.271 0.000 1.060 414 V CA -0.399 62.017 62.300 0.193 0.000 1.038 414 V CB 0.859 32.827 31.823 0.241 0.000 1.003 414 V HN 0.321 nan 8.190 nan 0.000 0.481 415 I N 2.784 123.497 120.570 0.238 0.000 2.378 415 I HA 0.265 4.436 4.170 0.001 0.000 0.291 415 I C -0.203 175.946 176.117 0.053 0.000 0.992 415 I CA -0.547 60.841 61.300 0.146 0.000 1.154 415 I CB 1.659 39.713 38.000 0.091 0.000 1.315 415 I HN 0.579 nan 8.210 nan 0.000 0.448 416 D N 5.782 126.072 120.400 -0.183 0.000 2.342 416 D HA 0.127 4.768 4.640 0.001 0.000 0.260 416 D C 0.681 176.836 176.300 -0.241 0.000 1.278 416 D CA 0.135 53.839 54.000 -0.494 0.000 0.910 416 D CB 0.967 41.184 40.800 -0.972 0.000 1.079 416 D HN 0.731 nan 8.370 nan 0.000 0.496 417 G N 3.555 112.258 108.800 -0.162 0.000 4.144 417 G HA2 0.063 4.023 3.960 0.001 0.000 0.297 417 G HA3 0.063 4.023 3.960 0.001 0.000 0.297 417 G C 1.192 176.020 174.900 -0.119 0.000 1.090 417 G CA -0.281 44.757 45.100 -0.103 0.000 0.870 417 G HN 0.483 nan 8.290 nan 0.000 0.532 418 M N -0.237 119.271 119.600 -0.152 0.000 2.374 418 M HA 0.146 4.626 4.480 0.001 0.000 0.264 418 M C 1.611 177.867 176.300 -0.073 0.000 1.067 418 M CA 1.027 56.252 55.300 -0.125 0.000 1.103 418 M CB 0.126 32.653 32.600 -0.122 0.000 1.402 418 M HN 0.092 nan 8.290 nan 0.000 0.444 428 N N 0.829 119.540 118.700 0.019 0.000 2.235 428 N HA 0.358 5.098 4.740 0.001 0.000 0.231 428 N C 0.160 175.684 175.510 0.024 0.000 1.177 428 N CA 0.175 53.232 53.050 0.011 0.000 0.874 428 N CB 0.005 nan 38.487 nan 0.000 1.097 428 N HN 0.553 nan 8.380 nan 0.000 0.518 429 K N 1.769 122.195 120.400 0.043 0.000 2.130 429 K HA 0.384 4.704 4.320 0.001 0.000 0.268 429 K C -2.617 174.041 176.600 0.098 0.000 0.983 429 K CA -1.678 54.648 56.287 0.064 0.000 0.893 429 K CB 1.911 34.449 32.500 0.063 0.000 1.066 429 K HN 0.173 nan 8.250 nan 0.000 0.450 430 P HA 0.044 nan 4.420 nan 0.000 0.271 430 P C -0.717 176.761 177.300 0.297 0.000 1.233 430 P CA -0.206 63.015 63.100 0.201 0.000 0.764 430 P CB 0.700 32.468 31.700 0.114 0.000 0.825 431 V N 5.710 125.842 119.914 0.363 0.000 2.378 431 V HA 0.124 4.245 4.120 0.001 0.000 0.288 431 V C 0.460 176.738 176.094 0.305 0.000 1.016 431 V CA -0.931 61.542 62.300 0.288 0.000 0.840 431 V CB 1.416 33.328 31.823 0.149 0.000 0.994 431 V HN 0.448 nan 8.190 nan 0.000 0.431 432 L N 6.802 128.140 121.223 0.193 0.000 2.410 432 L HA 0.358 4.699 4.340 0.001 0.000 0.273 432 L C 1.254 178.002 176.870 -0.202 0.000 1.144 432 L CA 0.884 55.633 54.840 -0.152 0.000 0.863 432 L CB 0.386 42.425 42.059 -0.032 0.000 1.140 432 L HN 0.518 nan 8.230 nan 0.000 0.463 433 R N 2.982 123.262 120.500 -0.367 0.000 2.221 433 R HA 0.275 4.615 4.340 0.001 0.000 0.195 433 R C 0.092 176.178 176.300 -0.357 0.000 0.956 433 R CA 0.207 56.014 56.100 -0.488 0.000 1.064 433 R CB 0.146 29.716 30.300 -1.215 0.000 1.049 433 R HN 0.780 nan 8.270 nan 0.000 0.534 434 N N -0.212 118.305 118.700 -0.305 0.000 2.494 434 N HA 0.409 5.149 4.740 0.001 0.000 0.270 434 N C -1.599 173.800 175.510 -0.186 0.000 1.285 434 N CA -0.486 52.459 53.050 -0.175 0.000 0.812 434 N CB 2.196 40.631 38.487 -0.087 0.000 1.557 434 N HN -0.174 nan 8.380 nan 0.000 0.487 435 I N 3.143 123.608 120.570 -0.174 0.000 2.497 435 I HA 0.378 4.548 4.170 0.001 0.000 0.284 435 I C -0.812 175.150 176.117 -0.259 0.000 1.060 435 I CA -0.447 60.684 61.300 -0.281 0.000 1.071 435 I CB 1.651 39.526 38.000 -0.208 0.000 1.216 435 I HN 0.386 nan 8.210 nan 0.000 0.442 436 I N 6.448 126.823 120.570 -0.325 0.000 2.437 436 I HA 0.582 4.752 4.170 0.001 0.000 0.298 436 I C -0.456 175.484 176.117 -0.295 0.000 0.984 436 I CA -0.933 60.213 61.300 -0.255 0.000 1.214 436 I CB 2.070 39.929 38.000 -0.234 0.000 1.365 436 I HN 0.155 nan 8.210 nan 0.000 0.469 437 V N 3.365 123.143 119.914 -0.226 0.000 2.925 437 V HA 0.360 4.481 4.120 0.001 0.000 0.311 437 V C 0.079 176.051 176.094 -0.204 0.000 1.104 437 V CA -0.775 61.394 62.300 -0.218 0.000 0.954 437 V CB 2.069 33.782 31.823 -0.183 0.000 1.022 437 V HN 0.921 nan 8.190 nan 0.000 0.427 438 S N 1.633 117.219 115.700 -0.189 0.000 2.617 438 S HA 0.253 4.723 4.470 0.001 0.000 0.259 438 S C 0.340 174.743 174.600 -0.328 0.000 1.301 438 S CA 0.009 58.038 58.200 -0.285 0.000 0.984 438 S CB 0.618 63.755 63.200 -0.105 0.000 0.954 438 S HN 0.934 nan 8.310 nan 0.000 0.572 439 N N -1.247 117.122 118.700 -0.551 0.000 2.261 439 N HA 0.108 4.848 4.740 0.001 0.000 0.241 439 N C -0.128 175.224 175.510 -0.263 0.000 1.374 439 N CA -0.252 52.593 53.050 -0.341 0.000 0.802 439 N CB 0.180 38.481 38.487 -0.309 0.000 1.339 439 N HN 0.782 nan 8.380 nan 0.000 0.498 440 W N 0.926 122.244 121.300 0.030 0.000 2.342 440 W HA -0.155 4.505 4.660 0.001 0.000 0.297 440 W C 2.698 179.255 176.519 0.063 0.000 1.213 440 W CA 1.684 59.064 57.345 0.059 0.000 1.251 440 W CB -0.420 29.087 29.460 0.078 0.000 1.136 440 W HN 0.177 nan 8.180 nan 0.000 0.526 441 T N -0.931 113.767 114.554 0.240 0.000 2.821 441 T HA -0.121 4.229 4.350 0.001 0.000 0.267 441 T C 1.650 176.405 174.700 0.092 0.000 1.046 441 T CA 1.229 63.430 62.100 0.167 0.000 1.139 441 T CB -0.345 68.596 68.868 0.123 0.000 0.871 441 T HN 0.155 nan 8.240 nan 0.000 0.454 442 R N 1.232 121.756 120.500 0.040 0.000 2.200 442 R HA 0.189 4.529 4.340 0.001 0.000 0.208 442 R C 0.702 176.986 176.300 -0.027 0.000 1.033 442 R CA 0.422 56.518 56.100 -0.007 0.000 1.000 442 R CB -0.223 30.055 30.300 -0.037 0.000 0.906 442 R HN 0.377 nan 8.270 nan 0.000 0.462 443 D N 2.264 122.661 120.400 -0.006 0.000 2.412 443 D HA -0.018 4.622 4.640 0.001 0.000 0.257 443 D C -1.329 174.938 176.300 -0.055 0.000 1.217 443 D CA -1.881 52.106 54.000 -0.021 0.000 0.897 443 D CB 1.233 42.065 40.800 0.053 0.000 1.132 443 D HN -0.012 nan 8.370 nan 0.000 0.493 444 P HA -0.191 nan 4.420 nan 0.000 0.218 444 P C 0.655 177.748 177.300 -0.345 0.000 1.146 444 P CA 1.287 64.170 63.100 -0.361 0.000 0.813 444 P CB -0.108 31.238 31.700 -0.591 0.000 0.778 445 Y N -0.225 120.124 120.300 0.081 0.000 2.470 445 Y HA 0.104 4.654 4.550 0.001 0.000 0.284 445 Y C 2.241 178.222 175.900 0.135 0.000 1.188 445 Y CA 0.271 58.428 58.100 0.094 0.000 1.269 445 Y CB 0.045 38.564 38.460 0.098 0.000 1.094 445 Y HN 0.152 nan 8.280 nan 0.000 0.518 446 S N -0.956 114.890 115.700 0.243 0.000 3.171 446 S HA 0.132 4.602 4.470 0.001 0.000 0.258 446 S C 0.694 175.414 174.600 0.201 0.000 1.083 446 S CA -0.455 57.914 58.200 0.283 0.000 0.801 446 S CB 0.104 63.597 63.200 0.488 0.000 0.831 446 S HN 0.236 nan 8.310 nan 0.000 0.462 447 R N 2.308 122.902 120.500 0.157 0.000 3.188 447 R HA 0.003 4.343 4.340 0.001 0.000 0.247 447 R C 0.566 176.992 176.300 0.210 0.000 0.918 447 R CA 0.524 56.680 56.100 0.093 0.000 0.629 447 R CB -2.183 28.090 30.300 -0.045 0.000 1.087 447 R HN 1.159 nan 8.270 nan 0.000 0.462 448 G N -2.207 106.809 108.800 0.360 0.000 2.331 448 G HA2 0.238 4.198 3.960 0.001 0.000 0.402 448 G HA3 0.238 4.198 3.960 0.001 0.000 0.402 448 G C 0.046 175.161 174.900 0.358 0.000 1.275 448 G CA -0.232 45.148 45.100 0.466 0.000 1.003 448 G HN 0.367 nan 8.290 nan 0.000 0.500 449 A N -1.245 121.560 122.820 -0.026 0.000 1.909 449 A HA 0.786 5.106 4.320 0.001 0.000 0.210 449 A C 0.589 177.946 177.584 -0.378 0.000 1.273 449 A CA 2.319 54.199 52.037 -0.262 0.000 0.654 449 A CB -0.078 18.659 19.000 -0.439 0.000 0.945 449 A HN 2.267 nan 8.150 nan 0.000 0.471 450 Y N -2.664 117.084 120.300 -0.920 0.000 2.779 450 Y HA 0.512 5.063 4.550 0.001 0.000 0.340 450 Y C -0.095 175.049 175.900 -1.260 0.000 1.252 450 Y CA -1.286 56.221 58.100 -0.988 0.000 1.072 450 Y CB 0.060 38.299 38.460 -0.369 0.000 1.343 450 Y HN 0.201 nan 8.280 nan 0.000 0.450 451 S N 1.136 116.633 115.700 -0.339 0.000 2.549 451 S HA 0.707 5.178 4.470 0.001 0.000 0.286 451 S C -0.110 174.504 174.600 0.024 0.000 1.314 451 S CA 0.347 58.515 58.200 -0.053 0.000 1.062 451 S CB 0.543 63.835 63.200 0.153 0.000 0.865 451 S HN 1.690 nan 8.310 nan 0.000 0.498 452 A N 1.658 124.493 122.820 0.024 0.000 2.609 452 A HA 0.658 4.978 4.320 0.001 0.000 0.291 452 A C -0.844 176.782 177.584 0.070 0.000 1.096 452 A CA -0.903 51.200 52.037 0.108 0.000 0.684 452 A CB 0.952 20.015 19.000 0.104 0.000 1.282 452 A HN 1.004 nan 8.150 nan 0.000 0.412 453 C N 0.669 120.047 119.300 0.131 0.000 2.355 453 C HA 0.684 5.145 4.460 0.001 0.000 0.332 453 C C -0.001 175.156 174.990 0.278 0.000 1.255 453 C CA -0.437 58.655 59.018 0.124 0.000 1.792 453 C CB -0.666 27.130 27.740 0.093 0.000 2.300 453 C HN 0.627 nan 8.230 nan 0.000 0.515 454 F N 3.256 123.268 119.950 0.103 0.000 2.408 454 F HA 0.378 4.905 4.527 0.001 0.000 0.325 454 F C -1.588 174.227 175.800 0.025 0.000 1.082 454 F CA -2.519 55.486 58.000 0.009 0.000 1.032 454 F CB 1.229 40.146 39.000 -0.138 0.000 1.259 454 F HN 0.297 nan 8.300 nan 0.000 0.503 455 P HA 0.045 nan 4.420 nan 0.000 0.264 455 P C 0.423 177.796 177.300 0.122 0.000 1.193 455 P CA 0.917 64.087 63.100 0.116 0.000 0.763 455 P CB 0.738 32.486 31.700 0.080 0.000 0.810 456 G N 2.240 111.092 108.800 0.087 0.000 2.238 456 G HA2 -0.164 3.796 3.960 0.001 0.000 0.217 456 G HA3 -0.164 3.796 3.960 0.001 0.000 0.217 456 G C -0.043 174.907 174.900 0.084 0.000 0.996 456 G CA -0.286 44.863 45.100 0.082 0.000 0.632 456 G HN 0.496 nan 8.290 nan 0.000 0.503 457 D N 1.496 121.960 120.400 0.107 0.000 2.357 457 D HA 0.500 5.140 4.640 0.001 0.000 0.242 457 D C 0.370 176.687 176.300 0.028 0.000 1.153 457 D CA 1.192 55.243 54.000 0.084 0.000 0.918 457 D CB 0.953 41.824 40.800 0.118 0.000 1.181 457 D HN 0.762 nan 8.370 nan 0.000 0.435 458 D N 0.942 121.343 120.400 0.002 0.000 2.336 458 D HA 0.239 4.879 4.640 0.001 0.000 0.248 458 D C -1.887 174.391 176.300 -0.036 0.000 1.326 458 D CA -1.076 52.914 54.000 -0.017 0.000 0.973 458 D CB 1.561 nan 40.800 nan 0.000 1.255 458 D HN 0.074 nan 8.370 nan 0.000 0.558 459 P HA -0.161 nan 4.420 nan 0.000 0.219 459 P C 1.828 179.093 177.300 -0.058 0.000 1.146 459 P CA 0.701 63.775 63.100 -0.042 0.000 0.808 459 P CB 0.312 32.000 31.700 -0.021 0.000 0.779 460 V N 1.377 121.261 119.914 -0.049 0.000 2.282 460 V HA -0.263 3.858 4.120 0.001 0.000 0.249 460 V C 2.269 178.322 176.094 -0.069 0.000 1.057 460 V CA 2.477 64.746 62.300 -0.052 0.000 1.032 460 V CB -1.470 30.331 31.823 -0.038 0.000 0.645 460 V HN 0.077 nan 8.190 nan 0.000 0.447 461 D N -0.600 119.754 120.400 -0.076 0.000 2.126 461 D HA -0.247 4.394 4.640 0.001 0.000 0.190 461 D C 1.996 178.213 176.300 -0.138 0.000 1.001 461 D CA 1.882 55.825 54.000 -0.096 0.000 0.841 461 D CB -0.368 40.374 40.800 -0.096 0.000 0.949 461 D HN 0.381 nan 8.370 nan 0.000 0.446 462 M N 0.284 119.782 119.600 -0.169 0.000 2.067 462 M HA -0.114 4.366 4.480 0.001 0.000 0.260 462 M C 1.999 178.195 176.300 -0.174 0.000 1.069 462 M CA 1.198 56.361 55.300 -0.228 0.000 1.117 462 M CB -0.493 31.968 32.600 -0.231 0.000 1.334 462 M HN -0.101 nan 8.290 nan 0.000 0.407 463 V N -0.773 119.068 119.914 -0.122 0.000 2.392 463 V HA -0.266 3.854 4.120 0.001 0.000 0.249 463 V C 2.389 178.427 176.094 -0.092 0.000 1.059 463 V CA 1.722 63.959 62.300 -0.104 0.000 1.051 463 V CB -0.924 30.853 31.823 -0.077 0.000 0.658 463 V HN 0.407 nan 8.190 nan 0.000 0.455 464 V N 0.043 119.906 119.914 -0.084 0.000 2.270 464 V HA -0.218 3.903 4.120 0.001 0.000 0.245 464 V C 2.689 178.742 176.094 -0.069 0.000 1.043 464 V CA 2.027 64.288 62.300 -0.064 0.000 1.014 464 V CB -1.021 30.768 31.823 -0.056 0.000 0.645 464 V HN 0.558 nan 8.190 nan 0.000 0.447 465 A N -0.774 121.983 122.820 -0.104 0.000 1.933 465 A HA -0.212 4.108 4.320 0.001 0.000 0.218 465 A C 2.225 179.744 177.584 -0.108 0.000 1.175 465 A CA 1.949 53.918 52.037 -0.113 0.000 0.628 465 A CB -0.417 18.478 19.000 -0.175 0.000 0.814 465 A HN 0.418 nan 8.150 nan 0.000 0.444 466 M N 0.417 119.926 119.600 -0.152 0.000 2.123 466 M HA -0.093 4.387 4.480 0.001 0.000 0.263 466 M C 2.462 178.788 176.300 0.043 0.000 1.069 466 M CA 1.960 57.183 55.300 -0.129 0.000 1.133 466 M CB -1.424 31.048 32.600 -0.214 0.000 1.356 466 M HN 0.623 nan 8.290 nan 0.000 0.415 467 S N 0.237 115.931 115.700 -0.009 0.000 2.474 467 S HA -0.063 4.407 4.470 0.001 0.000 0.235 467 S C 1.347 175.968 174.600 0.034 0.000 0.997 467 S CA 0.967 59.174 58.200 0.012 0.000 0.949 467 S CB -0.513 62.676 63.200 -0.019 0.000 0.766 467 S HN 0.420 nan 8.310 nan 0.000 0.517 468 N N 1.706 120.428 118.700 0.037 0.000 2.353 468 N HA 0.270 5.011 4.740 0.001 0.000 0.185 468 N C 1.011 176.569 175.510 0.079 0.000 1.098 468 N CA 0.823 53.898 53.050 0.042 0.000 0.872 468 N CB 0.169 38.668 38.487 0.020 0.000 0.970 468 N HN 0.648 nan 8.380 nan 0.000 0.467 469 G N 1.344 110.236 108.800 0.154 0.000 2.819 469 G HA2 -0.301 3.659 3.960 0.001 0.000 0.682 469 G HA3 -0.301 3.659 3.960 0.001 0.000 0.682 469 G C 0.435 175.463 174.900 0.214 0.000 1.481 469 G CA 0.213 45.444 45.100 0.219 0.000 0.904 469 G HN 0.266 nan 8.290 nan 0.000 0.563 470 Q N 0.199 120.145 119.800 0.243 0.000 2.123 470 Q HA 0.217 4.558 4.340 0.001 0.000 0.199 470 Q C 1.081 177.134 176.000 0.088 0.000 0.966 470 Q CA 2.928 58.842 55.803 0.186 0.000 0.845 470 Q CB 0.057 28.901 28.738 0.176 0.000 0.907 470 Q HN 1.186 nan 8.270 nan 0.000 0.439 471 D N -4.036 116.399 120.400 0.057 0.000 2.879 471 D HA 0.055 4.695 4.640 0.001 0.000 0.346 471 D C 0.221 176.534 176.300 0.023 0.000 1.390 471 D CA 0.119 54.138 54.000 0.032 0.000 0.838 471 D CB -0.369 40.441 40.800 0.017 0.000 1.416 471 D HN -0.077 nan 8.370 nan 0.000 0.493 472 S N -1.239 114.468 115.700 0.012 0.000 2.440 472 S HA -0.140 4.331 4.470 0.001 0.000 0.238 472 S C 1.318 175.936 174.600 0.031 0.000 1.010 472 S CA 0.670 58.889 58.200 0.033 0.000 0.972 472 S CB -0.356 62.854 63.200 0.016 0.000 0.774 472 S HN 0.451 nan 8.310 nan 0.000 0.501 473 R N 0.254 120.704 120.500 -0.083 0.000 2.279 473 R HA 0.466 4.806 4.340 0.001 0.000 0.195 473 R C 0.117 176.380 176.300 -0.062 0.000 0.905 473 R CA 0.087 56.067 56.100 -0.201 0.000 1.044 473 R CB -0.127 29.954 30.300 -0.366 0.000 1.056 473 R HN 0.447 nan 8.270 nan 0.000 0.535 474 I N 3.335 123.870 120.570 -0.059 0.000 2.330 474 I HA 0.233 4.403 4.170 0.001 0.000 0.286 474 I C 0.024 176.005 176.117 -0.227 0.000 1.025 474 I CA -0.439 60.791 61.300 -0.118 0.000 1.197 474 I CB 0.657 38.626 38.000 -0.053 0.000 1.358 474 I HN -0.277 nan 8.210 nan 0.000 0.467 475 R N 5.346 125.671 120.500 -0.291 0.000 2.875 475 R HA 0.703 5.043 4.340 0.001 0.000 0.251 475 R C -1.135 174.815 176.300 -0.584 0.000 1.123 475 R CA -0.957 54.963 56.100 -0.300 0.000 1.064 475 R CB 1.423 31.671 30.300 -0.087 0.000 1.205 475 R HN 0.246 nan 8.270 nan 0.000 0.503 476 F N -0.864 119.097 119.950 0.019 0.000 2.576 476 F HA 0.718 5.245 4.527 0.001 0.000 0.313 476 F C -0.010 175.763 175.800 -0.045 0.000 1.078 476 F CA -0.784 57.222 58.000 0.010 0.000 0.921 476 F CB 2.367 41.371 39.000 0.006 0.000 1.232 476 F HN 0.623 nan 8.300 nan 0.000 0.459 477 A N 1.123 124.031 122.820 0.147 0.000 2.564 477 A HA 0.997 5.318 4.320 0.001 0.000 0.288 477 A C -0.403 177.180 177.584 -0.002 0.000 1.164 477 A CA -0.405 51.647 52.037 0.026 0.000 0.712 477 A CB 1.694 20.703 19.000 0.014 0.000 1.303 477 A HN 1.744 nan 8.150 nan 0.000 0.418 478 G N -0.470 108.308 108.800 -0.036 0.000 2.362 478 G HA2 0.411 4.372 3.960 0.001 0.000 0.656 478 G HA3 0.411 4.372 3.960 0.001 0.000 0.656 478 G C 0.008 174.880 174.900 -0.047 0.000 1.376 478 G CA 0.648 45.760 45.100 0.020 0.000 0.971 478 G HN 1.831 nan 8.290 nan 0.000 0.636 479 E N -0.333 119.914 120.200 0.078 0.000 2.273 479 E HA -0.249 4.102 4.350 0.001 0.000 0.198 479 E C 1.611 178.233 176.600 0.037 0.000 1.002 479 E CA 2.425 58.843 56.400 0.029 0.000 0.828 479 E CB -0.332 29.388 29.700 0.033 0.000 0.747 479 E HN 0.926 nan 8.360 nan 0.000 0.491 480 H N -0.114 118.975 119.070 0.031 0.000 2.526 480 H HA 0.201 4.757 4.556 0.001 0.000 0.274 480 H C 0.422 175.732 175.328 -0.031 0.000 0.999 480 H CA 0.997 57.054 56.048 0.015 0.000 1.157 480 H CB -0.229 29.569 29.762 0.062 0.000 1.407 480 H HN 0.288 nan 8.280 nan 0.000 0.568 481 T N -1.529 112.780 114.554 -0.408 0.000 3.266 481 T HA 0.466 4.817 4.350 0.001 0.000 0.278 481 T C 0.079 174.687 174.700 -0.153 0.000 1.010 481 T CA -0.462 61.449 62.100 -0.314 0.000 0.909 481 T CB -0.590 68.065 68.868 -0.355 0.000 1.122 481 T HN 0.334 nan 8.240 nan 0.000 0.536 482 I N 0.114 120.614 120.570 -0.117 0.000 2.882 482 I HA 0.325 4.495 4.170 0.001 0.000 0.298 482 I C -0.014 176.057 176.117 -0.076 0.000 1.462 482 I CA -1.142 60.110 61.300 -0.079 0.000 1.000 482 I CB 1.921 39.882 38.000 -0.065 0.000 1.340 482 I HN -0.134 nan 8.210 nan 0.000 0.462 483 M N 1.839 121.406 119.600 -0.055 0.000 2.095 483 M HA 0.082 4.563 4.480 0.001 0.000 0.257 483 M C 0.078 176.340 176.300 -0.064 0.000 1.089 483 M CA 1.422 56.690 55.300 -0.054 0.000 1.138 483 M CB -1.057 31.525 32.600 -0.031 0.000 1.303 483 M HN 0.420 nan 8.290 nan 0.000 0.422 484 D N 0.701 121.087 120.400 -0.024 0.000 2.401 484 D HA 0.351 4.992 4.640 0.001 0.000 0.254 484 D C 1.142 177.390 176.300 -0.087 0.000 1.192 484 D CA 0.960 54.966 54.000 0.009 0.000 0.885 484 D CB 0.284 41.149 40.800 0.109 0.000 1.147 484 D HN 0.651 nan 8.370 nan 0.000 0.478 485 G N 1.753 110.401 108.800 -0.254 0.000 2.132 485 G HA2 -0.184 3.777 3.960 0.001 0.000 0.234 485 G HA3 -0.184 3.777 3.960 0.001 0.000 0.234 485 G C 0.526 175.134 174.900 -0.487 0.000 0.989 485 G CA 0.021 44.646 45.100 -0.792 0.000 0.676 485 G HN 0.842 nan 8.290 nan 0.000 0.522 486 A N -0.383 122.260 122.820 -0.296 0.000 2.546 486 A HA 0.604 4.924 4.320 0.001 0.000 0.243 486 A C 2.154 179.589 177.584 -0.249 0.000 1.063 486 A CA 2.133 54.042 52.037 -0.213 0.000 0.757 486 A CB -0.106 18.804 19.000 -0.150 0.000 0.991 486 A HN 2.418 nan 8.150 nan 0.000 0.503 487 G N 0.876 109.562 108.800 -0.189 0.000 2.304 487 G HA2 -0.303 3.657 3.960 0.001 0.000 0.252 487 G HA3 -0.303 3.657 3.960 0.001 0.000 0.252 487 G C 0.557 175.242 174.900 -0.359 0.000 1.014 487 G CA 0.434 45.379 45.100 -0.258 0.000 0.619 487 G HN 1.173 nan 8.290 nan 0.000 0.525 488 C N 0.672 119.783 119.300 -0.315 0.000 2.362 488 C HA 0.754 5.215 4.460 0.001 0.000 0.363 488 C C 2.383 177.275 174.990 -0.164 0.000 1.220 488 C CA 0.316 59.198 59.018 -0.226 0.000 2.379 488 C CB 1.029 28.625 27.740 -0.241 0.000 2.351 488 C HN 0.911 nan 8.230 nan 0.000 0.582 489 A N 0.615 123.400 122.820 -0.059 0.000 1.933 489 A HA -0.151 4.169 4.320 0.001 0.000 0.218 489 A C 1.774 179.436 177.584 0.129 0.000 1.175 489 A CA 1.963 53.985 52.037 -0.026 0.000 0.628 489 A CB -0.777 18.143 19.000 -0.134 0.000 0.814 489 A HN 1.060 nan 8.150 nan 0.000 0.444 490 Y N -0.918 119.448 120.300 0.111 0.000 2.439 490 Y HA 0.241 4.792 4.550 0.001 0.000 0.292 490 Y C 2.033 178.077 175.900 0.241 0.000 1.130 490 Y CA 0.422 58.617 58.100 0.159 0.000 1.254 490 Y CB -1.037 37.475 38.460 0.087 0.000 1.000 490 Y HN 0.066 nan 8.280 nan 0.000 0.554 491 G N 0.940 109.558 108.800 -0.304 0.000 2.414 491 G HA2 -0.184 3.776 3.960 0.001 0.000 0.215 491 G HA3 -0.184 3.776 3.960 0.001 0.000 0.215 491 G C 1.862 176.772 174.900 0.017 0.000 1.188 491 G CA 1.235 46.209 45.100 -0.210 0.000 0.783 491 G HN 0.625 nan 8.290 nan 0.000 0.537 492 A N 0.225 123.063 122.820 0.029 0.000 1.873 492 A HA -0.137 4.184 4.320 0.001 0.000 0.218 492 A C 2.150 179.829 177.584 0.157 0.000 1.193 492 A CA 1.837 53.918 52.037 0.073 0.000 0.629 492 A CB -1.059 17.986 19.000 0.075 0.000 0.826 492 A HN 0.583 nan 8.150 nan 0.000 0.447 493 W N 0.820 122.145 121.300 0.042 0.000 2.290 493 W HA -0.315 4.346 4.660 0.001 0.000 0.328 493 W C 2.105 178.670 176.519 0.076 0.000 1.272 493 W CA 2.774 60.168 57.345 0.082 0.000 1.262 493 W CB -0.309 29.235 29.460 0.140 0.000 1.151 493 W HN 0.427 nan 8.180 nan 0.000 0.473 494 E N 0.362 120.776 120.200 0.358 0.000 2.110 494 E HA -0.218 4.133 4.350 0.001 0.000 0.193 494 E C 2.326 178.904 176.600 -0.036 0.000 0.988 494 E CA 2.341 58.809 56.400 0.114 0.000 0.804 494 E CB -0.688 29.199 29.700 0.311 0.000 0.745 494 E HN 0.315 nan 8.360 nan 0.000 0.458 495 S N -1.179 114.521 115.700 -0.001 0.000 2.423 495 S HA -0.028 4.442 4.470 0.001 0.000 0.231 495 S C 2.181 176.739 174.600 -0.069 0.000 1.014 495 S CA 0.915 59.092 58.200 -0.037 0.000 0.965 495 S CB -0.641 62.535 63.200 -0.039 0.000 0.785 495 S HN 0.334 nan 8.310 nan 0.000 0.495 496 G N 1.655 110.399 108.800 -0.093 0.000 2.394 496 G HA2 -0.109 3.852 3.960 0.001 0.000 0.215 496 G HA3 -0.109 3.852 3.960 0.001 0.000 0.215 496 G C 1.559 176.350 174.900 -0.182 0.000 1.165 496 G CA 0.468 45.497 45.100 -0.118 0.000 0.784 496 G HN 0.552 nan 8.290 nan 0.000 0.535 497 R N 0.361 120.687 120.500 -0.291 0.000 2.096 497 R HA 0.015 4.355 4.340 0.001 0.000 0.235 497 R C 2.515 178.707 176.300 -0.180 0.000 1.127 497 R CA 1.293 57.209 56.100 -0.307 0.000 0.968 497 R CB -0.267 29.742 30.300 -0.486 0.000 0.861 497 R HN 0.355 nan 8.270 nan 0.000 0.440 498 R N 0.439 120.857 120.500 -0.136 0.000 2.075 498 R HA -0.143 4.198 4.340 0.001 0.000 0.230 498 R C 1.678 177.927 176.300 -0.084 0.000 1.140 498 R CA 1.807 57.855 56.100 -0.087 0.000 0.928 498 R CB -0.177 30.089 30.300 -0.058 0.000 0.834 498 R HN 0.166 nan 8.270 nan 0.000 0.429 499 E N 0.387 120.538 120.200 -0.081 0.000 2.160 499 E HA -0.161 4.190 4.350 0.001 0.000 0.195 499 E C 1.777 178.309 176.600 -0.113 0.000 0.991 499 E CA 1.373 57.724 56.400 -0.081 0.000 0.810 499 E CB -0.249 29.412 29.700 -0.064 0.000 0.742 499 E HN 0.524 nan 8.360 nan 0.000 0.466 500 A N 0.344 123.093 122.820 -0.119 0.000 1.968 500 A HA -0.080 4.240 4.320 0.001 0.000 0.217 500 A C 2.403 179.911 177.584 -0.128 0.000 1.169 500 A CA 1.620 53.580 52.037 -0.128 0.000 0.638 500 A CB -0.550 18.382 19.000 -0.113 0.000 0.812 500 A HN 0.203 nan 8.150 nan 0.000 0.446 501 T N -0.633 113.853 114.554 -0.113 0.000 2.737 501 T HA -0.119 4.232 4.350 0.001 0.000 0.265 501 T C 2.100 176.737 174.700 -0.105 0.000 1.038 501 T CA 1.460 63.501 62.100 -0.098 0.000 1.144 501 T CB -0.223 68.596 68.868 -0.082 0.000 0.866 501 T HN 0.609 nan 8.240 nan 0.000 0.434 502 R N 0.682 121.118 120.500 -0.106 0.000 2.091 502 R HA -0.046 4.294 4.340 0.001 0.000 0.238 502 R C 2.311 178.506 176.300 -0.176 0.000 1.136 502 R CA 1.444 57.480 56.100 -0.108 0.000 0.959 502 R CB -0.443 29.807 30.300 -0.083 0.000 0.856 502 R HN 0.390 nan 8.270 nan 0.000 0.437 503 I N 0.339 120.755 120.570 -0.257 0.000 2.202 503 I HA -0.225 3.946 4.170 0.001 0.000 0.242 503 I C 2.358 178.267 176.117 -0.346 0.000 1.091 503 I CA 1.144 62.160 61.300 -0.472 0.000 1.368 503 I CB -0.316 37.362 38.000 -0.536 0.000 1.058 503 I HN 0.207 nan 8.210 nan 0.000 0.410 504 S N 0.728 116.299 115.700 -0.215 0.000 2.359 504 S HA -0.238 4.233 4.470 0.001 0.000 0.223 504 S C 1.605 176.136 174.600 -0.114 0.000 1.039 504 S CA 1.844 59.960 58.200 -0.140 0.000 1.042 504 S CB -0.406 62.738 63.200 -0.094 0.000 0.915 504 S HN 0.440 nan 8.310 nan 0.000 0.439 505 D N 1.362 121.699 120.400 -0.105 0.000 2.123 505 D HA -0.079 4.561 4.640 0.001 0.000 0.196 505 D C 1.956 178.215 176.300 -0.068 0.000 0.992 505 D CA 0.873 54.830 54.000 -0.072 0.000 0.833 505 D CB -0.469 40.295 40.800 -0.059 0.000 0.954 505 D HN 0.343 nan 8.370 nan 0.000 0.455 506 L N 0.231 121.394 121.223 -0.101 0.000 2.046 506 L HA -0.119 4.221 4.340 0.001 0.000 0.208 506 L C 2.622 179.470 176.870 -0.036 0.000 1.077 506 L CA 0.704 55.508 54.840 -0.061 0.000 0.747 506 L CB -0.422 41.593 42.059 -0.073 0.000 0.896 506 L HN 0.040 nan 8.230 nan 0.000 0.432 507 L N -0.260 120.911 121.223 -0.088 0.000 2.109 507 L HA -0.184 4.157 4.340 0.001 0.000 0.207 507 L C 2.658 179.516 176.870 -0.021 0.000 1.086 507 L CA 1.031 55.850 54.840 -0.035 0.000 0.760 507 L CB -0.445 41.574 42.059 -0.067 0.000 0.910 507 L HN 0.235 nan 8.230 nan 0.000 0.437 508 K N 0.996 121.374 120.400 -0.037 0.000 2.113 508 K HA -0.163 4.158 4.320 0.001 0.000 0.208 508 K C 1.233 177.826 176.600 -0.011 0.000 1.047 508 K CA 1.369 57.642 56.287 -0.024 0.000 0.928 508 K CB -0.199 32.282 32.500 -0.031 0.000 0.716 508 K HN 0.262 nan 8.250 nan 0.000 0.446 509 L N 1.588 122.806 121.223 -0.008 0.000 2.437 509 L HA 0.450 4.790 4.340 0.001 0.000 0.243 509 L C 0.058 176.933 176.870 0.009 0.000 1.346 509 L CA 0.825 55.666 54.840 0.001 0.000 1.233 509 L CB -1.238 40.823 42.059 0.003 0.000 1.436 509 L HN 0.396 nan 8.230 nan 0.000 0.416 510 E N 0.000 120.205 120.200 0.008 0.000 2.725 510 E HA 0.000 4.350 4.350 0.001 0.000 0.291 510 E CA 0.000 56.407 56.400 0.012 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