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 3cnt_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 DLLKLEHHH 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 0.000 174.558 174.600 -0.070 0.000 1.055 5 S CA 0.000 58.171 58.200 -0.048 0.000 1.107 5 S CB 0.000 63.170 63.200 -0.050 0.000 0.593 6 P HA 0.515 nan 4.420 nan 0.000 0.264 6 P C -0.470 176.789 177.300 -0.069 0.000 1.229 6 P CA 0.364 63.399 63.100 -0.109 0.000 0.780 6 P CB 0.258 31.908 31.700 -0.083 0.000 0.808 7 A N 4.813 127.578 122.820 -0.091 0.000 2.600 7 A HA -0.060 4.244 4.320 -0.028 0.000 0.244 7 A C 0.651 178.287 177.584 0.088 0.000 1.016 7 A CA 0.399 52.453 52.037 0.027 0.000 0.778 7 A CB -0.242 18.825 19.000 0.112 0.000 0.920 7 A HN 0.444 nan 8.150 nan 0.000 0.513 8 K N 2.614 123.041 120.400 0.044 0.000 2.297 8 K HA 0.315 4.618 4.320 -0.028 0.000 0.286 8 K C -0.172 176.433 176.600 0.009 0.000 1.053 8 K CA -0.061 56.238 56.287 0.020 0.000 0.940 8 K CB 0.902 33.403 32.500 0.002 0.000 1.019 8 K HN 0.642 nan 8.250 nan 0.000 0.475 9 K N 2.360 122.747 120.400 -0.020 0.000 2.443 9 K HA 0.255 4.558 4.320 -0.028 0.000 0.251 9 K C 0.535 177.079 176.600 -0.094 0.000 0.972 9 K CA -0.815 55.420 56.287 -0.087 0.000 0.833 9 K CB 1.818 34.234 32.500 -0.140 0.000 1.317 9 K HN 0.140 nan 8.250 nan 0.000 0.441 10 K N 0.006 120.328 120.400 -0.131 0.000 2.078 10 K HA 0.149 4.452 4.320 -0.028 0.000 0.203 10 K C 0.108 176.679 176.600 -0.049 0.000 1.043 10 K CA 0.909 57.151 56.287 -0.075 0.000 0.960 10 K CB 0.441 32.894 32.500 -0.079 0.000 0.761 10 K HN 0.311 nan 8.250 nan 0.000 0.448 11 V N 1.565 121.390 119.914 -0.149 0.000 2.623 11 V HA 0.401 4.504 4.120 -0.028 0.000 0.304 11 V C -0.869 175.092 176.094 -0.222 0.000 1.054 11 V CA -0.772 61.451 62.300 -0.128 0.000 0.882 11 V CB 1.995 33.728 31.823 -0.150 0.000 1.002 11 V HN 0.033 nan 8.190 nan 0.000 0.424 12 I N 5.552 126.020 120.570 -0.172 0.000 2.354 12 I HA 0.471 4.624 4.170 -0.028 0.000 0.286 12 I C -0.559 175.461 176.117 -0.162 0.000 1.007 12 I CA -0.359 60.813 61.300 -0.213 0.000 1.167 12 I CB 1.607 39.480 38.000 -0.211 0.000 1.320 12 I HN 0.455 nan 8.210 nan 0.000 0.458 13 I N 7.043 127.511 120.570 -0.169 0.000 2.342 13 I HA 0.257 4.410 4.170 -0.028 0.000 0.291 13 I C -0.322 175.743 176.117 -0.086 0.000 1.010 13 I CA -0.633 60.598 61.300 -0.115 0.000 1.308 13 I CB 1.250 39.180 38.000 -0.117 0.000 1.400 13 I HN 0.352 nan 8.210 nan 0.000 0.488 14 I N 5.830 126.373 120.570 -0.044 0.000 2.304 14 I HA 0.552 4.706 4.170 -0.028 0.000 0.291 14 I C 0.558 176.680 176.117 0.008 0.000 1.018 14 I CA 0.031 61.317 61.300 -0.024 0.000 1.260 14 I CB 0.891 38.893 38.000 0.004 0.000 1.390 14 I HN 0.757 nan 8.210 nan 0.000 0.475 15 G N 4.562 113.359 108.800 -0.004 0.000 3.367 15 G HA2 0.215 4.158 3.960 -0.028 0.000 0.686 15 G HA3 0.215 4.158 3.960 -0.028 0.000 0.686 15 G C -0.122 174.800 174.900 0.037 0.000 1.146 15 G CA -0.475 44.636 45.100 0.019 0.000 0.913 15 G HN 0.951 nan 8.290 nan 0.000 0.554 16 A N 1.822 124.672 122.820 0.050 0.000 2.579 16 A HA 0.711 5.014 4.320 -0.028 0.000 0.273 16 A C 1.584 179.226 177.584 0.097 0.000 1.363 16 A CA 1.240 53.328 52.037 0.085 0.000 0.953 16 A CB -0.341 18.721 19.000 0.102 0.000 1.034 16 A HN 2.115 nan 8.150 nan 0.000 0.536 17 G N -0.704 108.147 108.800 0.085 0.000 2.570 17 G HA2 0.316 4.259 3.960 -0.028 0.000 0.276 17 G HA3 0.316 4.259 3.960 -0.028 0.000 0.276 17 G C 0.978 175.938 174.900 0.101 0.000 1.346 17 G CA 0.008 45.158 45.100 0.084 0.000 1.034 17 G HN 0.298 nan 8.290 nan 0.000 0.512 18 I N 0.399 121.028 120.570 0.098 0.000 2.264 18 I HA -0.135 4.018 4.170 -0.028 0.000 0.248 18 I C 2.821 179.030 176.117 0.154 0.000 1.111 18 I CA 2.139 63.532 61.300 0.156 0.000 1.382 18 I CB -0.360 37.733 38.000 0.154 0.000 1.060 18 I HN 0.454 nan 8.210 nan 0.000 0.418 19 A N 0.224 123.110 122.820 0.110 0.000 1.835 19 A HA -0.092 4.211 4.320 -0.028 0.000 0.215 19 A C 2.457 180.059 177.584 0.029 0.000 1.199 19 A CA 1.819 53.899 52.037 0.072 0.000 0.615 19 A CB -1.799 17.247 19.000 0.076 0.000 0.838 19 A HN 0.483 nan 8.150 nan 0.000 0.444 20 G N -0.565 108.257 108.800 0.037 0.000 2.422 20 G HA2 -0.124 3.819 3.960 -0.028 0.000 0.218 20 G HA3 -0.124 3.819 3.960 -0.028 0.000 0.218 20 G C 1.571 176.459 174.900 -0.020 0.000 1.146 20 G CA 0.955 46.054 45.100 -0.001 0.000 0.769 20 G HN 0.404 nan 8.290 nan 0.000 0.547 21 L N -0.159 121.095 121.223 0.053 0.000 2.046 21 L HA -0.049 4.274 4.340 -0.028 0.000 0.208 21 L C 2.929 179.834 176.870 0.059 0.000 1.077 21 L CA 1.104 56.012 54.840 0.113 0.000 0.747 21 L CB -0.261 41.934 42.059 0.227 0.000 0.896 21 L HN 0.113 nan 8.230 nan 0.000 0.432 22 K N 0.196 120.613 120.400 0.027 0.000 2.155 22 K HA -0.084 4.219 4.320 -0.028 0.000 0.203 22 K C 2.034 178.543 176.600 -0.151 0.000 1.052 22 K CA 1.196 57.430 56.287 -0.087 0.000 0.948 22 K CB 0.005 32.332 32.500 -0.290 0.000 0.728 22 K HN 0.261 nan 8.250 nan 0.000 0.448 23 A N 1.049 123.789 122.820 -0.133 0.000 1.877 23 A HA -0.101 4.202 4.320 -0.028 0.000 0.216 23 A C 2.350 179.850 177.584 -0.140 0.000 1.186 23 A CA 2.022 53.976 52.037 -0.139 0.000 0.620 23 A CB -0.645 18.285 19.000 -0.117 0.000 0.822 23 A HN 0.335 nan 8.150 nan 0.000 0.443 24 A N -1.066 121.621 122.820 -0.222 0.000 1.933 24 A HA -0.085 4.218 4.320 -0.028 0.000 0.218 24 A C 2.453 179.872 177.584 -0.275 0.000 1.175 24 A CA 2.129 53.938 52.037 -0.379 0.000 0.628 24 A CB -0.841 17.517 19.000 -1.069 0.000 0.814 24 A HN 0.495 nan 8.150 nan 0.000 0.444 25 S N -1.144 114.483 115.700 -0.122 0.000 2.345 25 S HA -0.125 4.328 4.470 -0.028 0.000 0.220 25 S C 2.144 176.785 174.600 0.068 0.000 1.031 25 S CA 2.037 60.305 58.200 0.112 0.000 0.996 25 S CB -0.531 62.761 63.200 0.152 0.000 0.882 25 S HN 0.625 nan 8.310 nan 0.000 0.445 26 T N 3.094 117.633 114.554 -0.026 0.000 2.720 26 T HA -0.042 4.291 4.350 -0.028 0.000 0.268 26 T C 1.731 176.437 174.700 0.009 0.000 1.037 26 T CA 1.416 63.490 62.100 -0.044 0.000 1.144 26 T CB -0.464 68.333 68.868 -0.119 0.000 0.864 26 T HN 0.278 nan 8.240 nan 0.000 0.444 27 L N 0.212 121.460 121.223 0.042 0.000 1.990 27 L HA -0.196 4.127 4.340 -0.028 0.000 0.213 27 L C 2.619 179.621 176.870 0.220 0.000 1.072 27 L CA 1.854 56.763 54.840 0.114 0.000 0.755 27 L CB -0.748 41.402 42.059 0.151 0.000 0.889 27 L HN 0.467 nan 8.230 nan 0.000 0.432 28 H N -0.185 118.986 119.070 0.169 0.000 2.489 28 H HA -0.189 4.351 4.556 -0.028 0.000 0.293 28 H C 2.216 177.567 175.328 0.039 0.000 1.066 28 H CA 1.400 57.495 56.048 0.079 0.000 1.305 28 H CB 0.323 30.004 29.762 -0.134 0.000 1.386 28 H HN 0.447 nan 8.280 nan 0.000 0.551 29 Q N 0.362 120.170 119.800 0.013 0.000 2.172 29 Q HA -0.084 4.239 4.340 -0.028 0.000 0.200 29 Q C 0.483 176.438 176.000 -0.075 0.000 0.964 29 Q CA 0.850 56.622 55.803 -0.053 0.000 0.855 29 Q CB 0.268 29.006 28.738 -0.001 0.000 0.918 29 Q HN 0.373 nan 8.270 nan 0.000 0.444 30 N N -0.275 118.401 118.700 -0.039 0.000 2.327 30 N HA 0.130 4.853 4.740 -0.028 0.000 0.231 30 N C 0.097 175.594 175.510 -0.021 0.000 1.130 30 N CA 0.746 53.777 53.050 -0.032 0.000 0.845 30 N CB 0.664 39.137 38.487 -0.025 0.000 1.073 30 N HN 0.360 nan 8.380 nan 0.000 0.496 31 G N 0.482 109.245 108.800 -0.062 0.000 2.233 31 G HA2 -0.277 3.666 3.960 -0.028 0.000 0.270 31 G HA3 -0.277 3.666 3.960 -0.028 0.000 0.270 31 G C 0.050 174.991 174.900 0.070 0.000 1.011 31 G CA -0.082 44.998 45.100 -0.032 0.000 0.762 31 G HN 0.270 nan 8.290 nan 0.000 0.511 32 I N 0.354 120.995 120.570 0.119 0.000 2.496 32 I HA 0.275 4.428 4.170 -0.028 0.000 0.285 32 I C 0.835 177.121 176.117 0.283 0.000 1.080 32 I CA 0.068 61.455 61.300 0.144 0.000 1.404 32 I CB 0.825 38.878 38.000 0.089 0.000 1.403 32 I HN 0.301 nan 8.210 nan 0.000 0.539 33 Q N 3.566 123.490 119.800 0.206 0.000 2.286 33 Q HA 0.253 4.576 4.340 -0.028 0.000 0.250 33 Q C -0.582 175.467 176.000 0.082 0.000 1.021 33 Q CA -0.800 55.174 55.803 0.285 0.000 0.930 33 Q CB 1.175 30.040 28.738 0.213 0.000 1.266 33 Q HN 0.518 nan 8.270 nan 0.000 0.491 34 D N -0.040 120.414 120.400 0.089 0.000 2.740 34 D HA -0.188 4.435 4.640 -0.028 0.000 0.231 34 D C -0.896 175.123 176.300 -0.469 0.000 1.194 34 D CA 0.525 54.448 54.000 -0.128 0.000 0.673 34 D CB -1.364 39.407 40.800 -0.047 0.000 0.995 34 D HN 0.334 nan 8.370 nan 0.000 0.411 35 C N 0.156 118.751 119.300 -1.175 0.000 2.451 35 C HA 0.843 5.286 4.460 -0.028 0.000 0.391 35 C C 0.242 174.529 174.990 -1.171 0.000 1.286 35 C CA -0.654 57.574 59.018 -1.317 0.000 1.935 35 C CB 1.609 28.263 27.740 -1.810 0.000 2.188 35 C HN 0.525 nan 8.230 nan 0.000 0.523 36 L N 0.791 121.590 121.223 -0.706 0.000 2.565 36 L HA 0.605 4.928 4.340 -0.028 0.000 0.261 36 L C -1.221 175.497 176.870 -0.253 0.000 0.932 36 L CA 0.009 54.606 54.840 -0.404 0.000 0.878 36 L CB 1.843 43.640 42.059 -0.436 0.000 1.333 36 L HN 0.457 nan 8.230 nan 0.000 0.409 37 V N 5.870 125.731 119.914 -0.088 0.000 2.334 37 V HA 0.469 4.572 4.120 -0.028 0.000 0.281 37 V C -0.181 175.886 176.094 -0.044 0.000 1.016 37 V CA -0.463 61.807 62.300 -0.049 0.000 0.832 37 V CB 1.361 33.215 31.823 0.051 0.000 0.999 37 V HN 0.536 nan 8.190 nan 0.000 0.439 38 L N 4.615 125.785 121.223 -0.087 0.000 2.272 38 L HA 0.665 4.988 4.340 -0.028 0.000 0.289 38 L C -0.166 176.675 176.870 -0.048 0.000 1.032 38 L CA -0.272 54.522 54.840 -0.077 0.000 0.810 38 L CB 1.530 43.516 42.059 -0.121 0.000 1.205 38 L HN 0.666 nan 8.230 nan 0.000 0.422 39 E N 2.312 122.492 120.200 -0.033 0.000 2.234 39 E HA 0.535 4.869 4.350 -0.028 0.000 0.266 39 E C 0.112 176.655 176.600 -0.095 0.000 0.877 39 E CA -0.288 56.081 56.400 -0.051 0.000 0.758 39 E CB 2.080 31.779 29.700 -0.002 0.000 1.170 39 E HN 0.541 nan 8.360 nan 0.000 0.415 40 A N 4.906 127.592 122.820 -0.223 0.000 1.858 40 A HA -0.031 4.272 4.320 -0.028 0.000 0.216 40 A C 1.075 178.554 177.584 -0.174 0.000 1.190 40 A CA 1.038 52.859 52.037 -0.360 0.000 0.617 40 A CB -0.430 17.913 19.000 -1.095 0.000 0.827 40 A HN 0.678 nan 8.150 nan 0.000 0.443 41 R N 0.061 120.494 120.500 -0.113 0.000 3.073 41 R HA 0.140 4.463 4.340 -0.028 0.000 0.290 41 R C -0.097 176.235 176.300 0.054 0.000 1.130 41 R CA 0.647 56.788 56.100 0.067 0.000 1.186 41 R CB 0.001 30.368 30.300 0.112 0.000 1.166 41 R HN 0.597 nan 8.270 nan 0.000 0.563 42 D N -0.408 120.036 120.400 0.072 0.000 2.593 42 D HA 0.086 4.709 4.640 -0.028 0.000 0.241 42 D C -0.461 175.872 176.300 0.056 0.000 1.257 42 D CA -0.452 53.582 54.000 0.057 0.000 0.828 42 D CB 0.021 40.853 40.800 0.054 0.000 1.049 42 D HN 0.496 nan 8.370 nan 0.000 0.490 43 R N -1.195 119.344 120.500 0.064 0.000 2.680 43 R HA 0.609 4.932 4.340 -0.028 0.000 0.269 43 R C -0.777 175.570 176.300 0.078 0.000 1.026 43 R CA -1.058 55.082 56.100 0.068 0.000 0.889 43 R CB 1.166 31.510 30.300 0.073 0.000 1.241 43 R HN -0.101 nan 8.270 nan 0.000 0.463 44 V N -1.158 118.804 119.914 0.080 0.000 3.336 44 V HA 0.872 4.975 4.120 -0.028 0.000 0.314 44 V C 1.020 177.174 176.094 0.100 0.000 1.088 44 V CA 0.411 62.768 62.300 0.094 0.000 1.033 44 V CB 0.758 32.645 31.823 0.106 0.000 1.181 44 V HN 1.199 nan 8.190 nan 0.000 0.449 45 G N -0.963 107.899 108.800 0.103 0.000 2.345 45 G HA2 0.061 4.004 3.960 -0.028 0.000 0.218 45 G HA3 0.061 4.004 3.960 -0.028 0.000 0.218 45 G C 1.779 176.731 174.900 0.086 0.000 1.058 45 G CA 0.865 46.020 45.100 0.092 0.000 0.632 45 G HN 2.747 nan 8.290 nan 0.000 0.508 46 G N 0.617 109.491 108.800 0.124 0.000 2.629 46 G HA2 -0.375 3.569 3.960 -0.028 0.000 0.313 46 G HA3 -0.375 3.569 3.960 -0.028 0.000 0.313 46 G C 0.764 175.759 174.900 0.160 0.000 1.217 46 G CA 1.271 46.460 45.100 0.149 0.000 0.994 46 G HN 1.313 nan 8.290 nan 0.000 0.549 47 R N 0.281 120.754 120.500 -0.044 0.000 2.389 47 R HA 0.226 4.549 4.340 -0.028 0.000 0.210 47 R C 0.287 176.435 176.300 -0.252 0.000 1.157 47 R CA 0.236 56.090 56.100 -0.410 0.000 1.169 47 R CB -0.442 29.526 30.300 -0.555 0.000 1.004 47 R HN 0.304 nan 8.270 nan 0.000 0.482 48 L N 1.226 122.412 121.223 -0.062 0.000 2.433 48 L HA 0.305 4.628 4.340 -0.028 0.000 0.256 48 L C -0.552 176.361 176.870 0.072 0.000 1.063 48 L CA -0.230 54.550 54.840 -0.100 0.000 0.922 48 L CB 1.277 43.231 42.059 -0.174 0.000 1.238 48 L HN 0.082 nan 8.230 nan 0.000 0.466 49 Q N 1.364 121.269 119.800 0.175 0.000 2.353 49 Q HA 0.482 4.805 4.340 -0.028 0.000 0.268 49 Q C -1.138 174.951 176.000 0.148 0.000 1.045 49 Q CA -0.477 55.445 55.803 0.198 0.000 0.811 49 Q CB 2.828 31.744 28.738 0.296 0.000 1.305 49 Q HN 0.334 nan 8.270 nan 0.000 0.447 50 T N 3.247 117.862 114.554 0.101 0.000 2.809 50 T HA 0.404 4.737 4.350 -0.028 0.000 0.296 50 T C -0.074 174.664 174.700 0.063 0.000 1.015 50 T CA -0.481 61.664 62.100 0.074 0.000 0.954 50 T CB 0.757 69.650 68.868 0.042 0.000 0.950 50 T HN 0.483 nan 8.240 nan 0.000 0.450 51 V N 1.903 121.865 119.914 0.080 0.000 3.336 51 V HA 0.876 4.979 4.120 -0.028 0.000 0.314 51 V C 0.011 176.150 176.094 0.076 0.000 1.088 51 V CA -0.625 61.718 62.300 0.070 0.000 1.033 51 V CB 1.592 33.457 31.823 0.070 0.000 1.181 51 V HN 0.717 nan 8.190 nan 0.000 0.449 52 T N 0.578 115.174 114.554 0.070 0.000 2.893 52 T HA 0.831 5.164 4.350 -0.028 0.000 0.291 52 T C 0.108 174.882 174.700 0.123 0.000 1.028 52 T CA 0.215 62.354 62.100 0.064 0.000 0.995 52 T CB 1.516 70.394 68.868 0.018 0.000 1.051 52 T HN 1.350 nan 8.240 nan 0.000 0.470 53 G N 0.080 108.988 108.800 0.180 0.000 3.183 53 G HA2 0.517 4.460 3.960 -0.028 0.000 0.247 53 G HA3 0.517 4.460 3.960 -0.028 0.000 0.247 53 G C -1.100 173.924 174.900 0.208 0.000 1.211 53 G CA -0.748 44.485 45.100 0.223 0.000 0.835 53 G HN 0.601 nan 8.290 nan 0.000 0.604 54 Y N 0.959 121.323 120.300 0.106 0.000 2.993 54 Y HA -0.038 4.507 4.550 -0.009 0.000 0.340 54 Y C 1.790 177.733 175.900 0.072 0.000 1.273 54 Y CA 2.124 60.270 58.100 0.076 0.000 1.545 54 Y CB 0.328 38.835 38.460 0.078 0.000 1.275 54 Y HN 0.798 nan 8.280 nan 0.000 0.617 55 Q N 2.690 122.127 119.800 -0.605 0.000 2.264 55 Q HA -0.313 4.010 4.340 -0.028 0.000 0.207 55 Q C 1.012 176.901 176.000 -0.185 0.000 0.702 55 Q CA 1.270 56.799 55.803 -0.457 0.000 1.411 55 Q CB -1.714 26.764 28.738 -0.433 0.000 1.717 55 Q HN 1.449 nan 8.270 nan 0.000 0.683 56 G N 0.099 108.838 108.800 -0.102 0.000 2.132 56 G HA2 -0.317 3.626 3.960 -0.028 0.000 0.234 56 G HA3 -0.317 3.626 3.960 -0.028 0.000 0.234 56 G C -0.078 174.775 174.900 -0.079 0.000 0.989 56 G CA 0.207 45.266 45.100 -0.069 0.000 0.676 56 G HN 0.274 nan 8.290 nan 0.000 0.522 57 R N 0.323 120.782 120.500 -0.069 0.000 2.594 57 R HA 0.504 4.828 4.340 -0.028 0.000 0.272 57 R C 0.373 176.452 176.300 -0.368 0.000 1.074 57 R CA 0.207 56.198 56.100 -0.182 0.000 1.105 57 R CB 0.611 30.860 30.300 -0.084 0.000 1.008 57 R HN 0.247 nan 8.270 nan 0.000 0.472 58 K N 2.392 122.465 120.400 -0.546 0.000 2.259 58 K HA 0.420 4.723 4.320 -0.028 0.000 0.249 58 K C -1.206 174.905 176.600 -0.815 0.000 0.942 58 K CA -0.725 55.260 56.287 -0.504 0.000 0.816 58 K CB 1.831 34.200 32.500 -0.218 0.000 1.155 58 K HN 0.407 nan 8.250 nan 0.000 0.428 59 Y N -0.399 119.917 120.300 0.027 0.000 2.544 59 Y HA 0.184 4.719 4.550 -0.024 0.000 0.342 59 Y C -0.559 175.344 175.900 0.005 0.000 1.062 59 Y CA -1.218 56.898 58.100 0.027 0.000 1.023 59 Y CB 1.551 40.032 38.460 0.036 0.000 1.308 59 Y HN 0.437 nan 8.280 nan 0.000 0.457 60 D N 2.214 122.680 120.400 0.110 0.000 2.316 60 D HA 0.130 4.753 4.640 -0.028 0.000 0.245 60 D C 0.410 176.780 176.300 0.116 0.000 1.171 60 D CA 0.160 54.200 54.000 0.066 0.000 0.856 60 D CB 2.061 42.842 40.800 -0.032 0.000 1.090 60 D HN 0.568 nan 8.370 nan 0.000 0.476 61 I N 2.415 123.092 120.570 0.178 0.000 3.578 61 I HA 0.104 4.257 4.170 -0.028 0.000 0.295 61 I C 1.217 177.610 176.117 0.460 0.000 1.280 61 I CA 0.405 61.842 61.300 0.227 0.000 1.347 61 I CB 0.261 38.342 38.000 0.134 0.000 1.051 61 I HN 0.406 nan 8.210 nan 0.000 0.460 62 G N -0.369 108.650 108.800 0.365 0.000 3.434 62 G HA2 0.576 4.519 3.960 -0.028 0.000 0.197 62 G HA3 0.576 4.519 3.960 -0.028 0.000 0.197 62 G C -0.080 174.821 174.900 0.002 0.000 1.559 62 G CA 0.110 45.331 45.100 0.203 0.000 0.852 62 G HN 0.358 nan 8.290 nan 0.000 0.682 63 A N -0.699 122.018 122.820 -0.172 0.000 2.445 63 A HA 0.561 4.864 4.320 -0.028 0.000 0.242 63 A C 0.915 178.454 177.584 -0.076 0.000 1.075 63 A CA 0.839 52.754 52.037 -0.202 0.000 0.777 63 A CB 0.918 19.591 19.000 -0.546 0.000 1.013 63 A HN 0.504 nan 8.150 nan 0.000 0.493 64 S N -0.091 115.549 115.700 -0.100 0.000 2.769 64 S HA 0.196 4.649 4.470 -0.028 0.000 0.258 64 S C -0.086 174.069 174.600 -0.742 0.000 1.080 64 S CA -0.257 57.624 58.200 -0.532 0.000 0.943 64 S CB 0.112 62.713 63.200 -0.999 0.000 0.893 64 S HN 0.731 nan 8.310 nan 0.000 0.490 65 W N 2.077 123.248 121.300 -0.215 0.000 2.647 65 W HA 0.501 5.145 4.660 -0.025 0.000 0.353 65 W C -0.392 175.781 176.519 -0.576 0.000 1.080 65 W CA -0.556 56.514 57.345 -0.459 0.000 1.208 65 W CB 0.256 29.423 29.460 -0.489 0.000 1.396 65 W HN 0.118 nan 8.180 nan 0.000 0.573 66 H N 1.895 120.801 119.070 -0.274 0.000 2.556 66 H HA 0.233 4.772 4.556 -0.029 0.000 0.310 66 H C 0.270 175.345 175.328 -0.422 0.000 1.057 66 H CA -0.020 55.846 56.048 -0.303 0.000 1.264 66 H CB 0.701 30.209 29.762 -0.422 0.000 1.404 66 H HN 0.200 nan 8.280 nan 0.000 0.462 67 H N 1.786 120.876 119.070 0.032 0.000 2.499 67 H HA 0.035 4.575 4.556 -0.027 0.000 0.352 67 H C 0.344 175.584 175.328 -0.147 0.000 1.237 67 H CA -0.295 55.714 56.048 -0.064 0.000 1.343 67 H CB 0.961 30.747 29.762 0.040 0.000 1.578 67 H HN 0.655 nan 8.280 nan 0.000 0.577 68 D N 0.544 120.952 120.400 0.014 0.000 2.686 68 D HA -0.155 4.468 4.640 -0.028 0.000 0.235 68 D C 1.112 177.281 176.300 -0.218 0.000 1.160 68 D CA 1.090 55.046 54.000 -0.072 0.000 0.645 68 D CB -1.675 39.102 40.800 -0.039 0.000 1.039 68 D HN 0.771 nan 8.370 nan 0.000 0.423 69 T N -2.822 111.536 114.554 -0.326 0.000 2.969 69 T HA -0.145 4.188 4.350 -0.028 0.000 0.271 69 T C 2.019 176.657 174.700 -0.103 0.000 1.127 69 T CA 0.512 62.318 62.100 -0.491 0.000 1.102 69 T CB 0.020 68.338 68.868 -0.917 0.000 0.855 69 T HN 0.430 nan 8.240 nan 0.000 0.536 70 L N 1.205 122.393 121.223 -0.060 0.000 2.240 70 L HA 0.055 4.378 4.340 -0.028 0.000 0.211 70 L C 2.797 179.663 176.870 -0.007 0.000 1.106 70 L CA 1.516 56.358 54.840 0.004 0.000 0.793 70 L CB -0.262 41.802 42.059 0.008 0.000 0.927 70 L HN 0.582 nan 8.230 nan 0.000 0.446 71 T N -6.430 108.087 114.554 -0.062 0.000 2.969 71 T HA 0.050 4.383 4.350 -0.028 0.000 0.258 71 T C 0.897 175.495 174.700 -0.170 0.000 0.962 71 T CA -0.400 61.657 62.100 -0.071 0.000 0.903 71 T CB -0.233 68.612 68.868 -0.038 0.000 1.177 71 T HN -0.032 nan 8.240 nan 0.000 0.511 72 N N 4.524 123.019 118.700 -0.341 0.000 2.355 72 N HA 0.017 4.740 4.740 -0.028 0.000 0.282 72 N C -1.138 174.158 175.510 -0.357 0.000 1.374 72 N CA -1.001 51.665 53.050 -0.641 0.000 0.929 72 N CB 1.148 39.250 38.487 -0.642 0.000 1.278 72 N HN 0.240 nan 8.380 nan 0.000 0.491 73 P HA -0.213 nan 4.420 nan 0.000 0.216 73 P C 1.628 178.602 177.300 -0.543 0.000 1.153 73 P CA 0.746 63.727 63.100 -0.197 0.000 0.858 73 P CB 0.342 32.126 31.700 0.140 0.000 0.789 74 L N -0.917 119.780 121.223 -0.877 0.000 2.017 74 L HA -0.099 4.224 4.340 -0.028 0.000 0.208 74 L C 2.546 179.044 176.870 -0.621 0.000 1.073 74 L CA 1.678 55.869 54.840 -1.081 0.000 0.745 74 L CB -1.758 39.758 42.059 -0.905 0.000 0.894 74 L HN -0.186 nan 8.230 nan 0.000 0.432 75 F N 0.038 119.582 119.950 -0.677 0.000 2.046 75 F HA -0.230 4.279 4.527 -0.030 0.000 0.297 75 F C 2.121 177.609 175.800 -0.519 0.000 1.123 75 F CA 2.045 59.547 58.000 -0.830 0.000 1.199 75 F CB -0.666 37.869 39.000 -0.775 0.000 0.972 75 F HN 0.063 nan 8.300 nan 0.000 0.474 76 L N 0.208 121.078 121.223 -0.588 0.000 2.081 76 L HA -0.271 4.052 4.340 -0.028 0.000 0.212 76 L C 2.527 179.153 176.870 -0.406 0.000 1.080 76 L CA 1.999 56.541 54.840 -0.495 0.000 0.754 76 L CB -0.893 41.046 42.059 -0.200 0.000 0.893 76 L HN 0.324 nan 8.230 nan 0.000 0.433 77 E N 0.004 120.000 120.200 -0.341 0.000 2.031 77 E HA -0.235 4.098 4.350 -0.028 0.000 0.193 77 E C 2.123 178.594 176.600 -0.216 0.000 0.994 77 E CA 1.170 57.449 56.400 -0.202 0.000 0.800 77 E CB 0.136 29.750 29.700 -0.143 0.000 0.752 77 E HN 0.343 nan 8.360 nan 0.000 0.447 78 E N -0.053 119.957 120.200 -0.317 0.000 2.153 78 E HA -0.169 4.164 4.350 -0.028 0.000 0.194 78 E C 1.861 178.402 176.600 -0.099 0.000 0.988 78 E CA 0.992 57.280 56.400 -0.187 0.000 0.811 78 E CB -0.157 29.418 29.700 -0.209 0.000 0.746 78 E HN 0.372 nan 8.360 nan 0.000 0.466 79 A N 0.770 123.365 122.820 -0.374 0.000 2.014 79 A HA -0.167 4.137 4.320 -0.028 0.000 0.218 79 A C 2.129 179.654 177.584 -0.097 0.000 1.163 79 A CA 1.293 53.216 52.037 -0.189 0.000 0.652 79 A CB -0.219 18.390 19.000 -0.651 0.000 0.808 79 A HN 0.080 nan 8.150 nan 0.000 0.449 80 Q N 0.096 119.814 119.800 -0.137 0.000 2.079 80 Q HA -0.022 4.301 4.340 -0.028 0.000 0.200 80 Q C 1.858 177.826 176.000 -0.052 0.000 0.974 80 Q CA 1.467 57.223 55.803 -0.078 0.000 0.840 80 Q CB -0.482 28.213 28.738 -0.072 0.000 0.898 80 Q HN 0.660 nan 8.270 nan 0.000 0.430 81 L N -0.628 120.564 121.223 -0.052 0.000 1.955 81 L HA -0.206 4.117 4.340 -0.028 0.000 0.213 81 L C 2.397 179.236 176.870 -0.051 0.000 1.072 81 L CA 1.580 56.396 54.840 -0.040 0.000 0.755 81 L CB -0.787 41.252 42.059 -0.032 0.000 0.888 81 L HN 0.141 nan 8.230 nan 0.000 0.432 82 S N -0.035 115.623 115.700 -0.070 0.000 2.387 82 S HA -0.196 4.258 4.470 -0.028 0.000 0.230 82 S C 1.753 176.307 174.600 -0.077 0.000 1.035 82 S CA 1.348 59.481 58.200 -0.112 0.000 1.014 82 S CB -0.374 62.686 63.200 -0.234 0.000 0.836 82 S HN 0.243 nan 8.310 nan 0.000 0.466 83 L N 1.756 122.951 121.223 -0.047 0.000 2.376 83 L HA 0.120 4.443 4.340 -0.028 0.000 0.219 83 L C 1.285 178.137 176.870 -0.030 0.000 1.133 83 L CA 1.438 56.260 54.840 -0.030 0.000 0.816 83 L CB -0.546 41.503 42.059 -0.017 0.000 0.933 83 L HN 0.149 nan 8.230 nan 0.000 0.449 84 N N -0.515 118.164 118.700 -0.034 0.000 2.414 84 N HA -0.012 4.711 4.740 -0.028 0.000 0.177 84 N C 0.647 176.138 175.510 -0.030 0.000 1.062 84 N CA 1.039 54.072 53.050 -0.028 0.000 0.890 84 N CB 0.240 38.712 38.487 -0.024 0.000 1.070 84 N HN 0.543 nan 8.380 nan 0.000 0.454 85 D N -1.268 119.109 120.400 -0.039 0.000 2.469 85 D HA 0.176 4.799 4.640 -0.028 0.000 0.213 85 D C 1.138 177.410 176.300 -0.047 0.000 1.135 85 D CA 0.160 54.136 54.000 -0.039 0.000 0.834 85 D CB -0.180 40.597 40.800 -0.039 0.000 1.009 85 D HN 0.101 nan 8.370 nan 0.000 0.507 86 G N 1.162 109.930 108.800 -0.055 0.000 2.180 86 G HA2 -0.379 3.564 3.960 -0.028 0.000 0.263 86 G HA3 -0.379 3.564 3.960 -0.028 0.000 0.263 86 G C 0.116 174.969 174.900 -0.079 0.000 0.989 86 G CA 0.268 45.332 45.100 -0.061 0.000 0.692 86 G HN 0.482 nan 8.290 nan 0.000 0.526 87 R N 0.592 121.038 120.500 -0.091 0.000 2.340 87 R HA 0.417 4.740 4.340 -0.028 0.000 0.300 87 R C -0.054 176.148 176.300 -0.164 0.000 1.069 87 R CA -0.189 55.849 56.100 -0.103 0.000 0.984 87 R CB 0.605 30.855 30.300 -0.084 0.000 1.003 87 R HN 0.133 nan 8.270 nan 0.000 0.459 88 T N 3.752 118.212 114.554 -0.158 0.000 2.769 88 T HA 0.099 4.432 4.350 -0.028 0.000 0.293 88 T C 1.103 175.660 174.700 -0.240 0.000 0.931 88 T CA 0.061 62.025 62.100 -0.226 0.000 1.139 88 T CB 0.552 69.339 68.868 -0.136 0.000 0.881 88 T HN 0.460 nan 8.240 nan 0.000 0.532 89 R N 1.565 121.812 120.500 -0.421 0.000 2.446 89 R HA 0.301 4.624 4.340 -0.028 0.000 0.254 89 R C -0.323 175.953 176.300 -0.040 0.000 0.918 89 R CA 0.092 56.060 56.100 -0.221 0.000 1.069 89 R CB 0.521 30.749 30.300 -0.121 0.000 1.194 89 R HN 0.699 nan 8.270 nan 0.000 0.534 90 F N -3.858 116.123 119.950 0.051 0.000 3.250 90 F HA 0.588 5.099 4.527 -0.026 0.000 0.326 90 F C -1.559 174.325 175.800 0.140 0.000 1.154 90 F CA -1.548 56.496 58.000 0.074 0.000 0.870 90 F CB 1.050 40.127 39.000 0.128 0.000 1.476 90 F HN -0.352 nan 8.300 nan 0.000 0.491 91 V N 1.064 121.301 119.914 0.539 0.000 2.809 91 V HA 0.432 4.536 4.120 -0.028 0.000 0.290 91 V C -1.762 174.545 176.094 0.354 0.000 1.305 91 V CA -0.829 61.742 62.300 0.451 0.000 0.939 91 V CB 1.482 33.480 31.823 0.292 0.000 1.081 91 V HN 0.727 nan 8.190 nan 0.000 0.439 92 F N 6.113 126.219 119.950 0.259 0.000 2.516 92 F HA 0.249 4.758 4.527 -0.029 0.000 0.351 92 F C 1.356 177.240 175.800 0.140 0.000 1.208 92 F CA -0.058 58.037 58.000 0.159 0.000 1.073 92 F CB 0.307 39.364 39.000 0.095 0.000 1.203 92 F HN 0.733 nan 8.300 nan 0.000 0.602 93 D N -0.177 120.364 120.400 0.236 0.000 2.336 93 D HA -0.031 4.592 4.640 -0.028 0.000 0.228 93 D C -0.126 176.258 176.300 0.139 0.000 1.120 93 D CA -0.201 53.899 54.000 0.167 0.000 0.839 93 D CB -0.483 40.377 40.800 0.100 0.000 0.932 93 D HN 0.198 nan 8.370 nan 0.000 0.509 94 D N 0.814 121.300 120.400 0.144 0.000 2.414 94 D HA 0.204 4.827 4.640 -0.028 0.000 0.242 94 D C -0.120 176.257 176.300 0.128 0.000 1.129 94 D CA 0.569 54.641 54.000 0.120 0.000 0.885 94 D CB 1.359 42.219 40.800 0.100 0.000 1.198 94 D HN 0.197 nan 8.370 nan 0.000 0.437 95 D N 0.289 120.781 120.400 0.154 0.000 2.812 95 D HA 0.170 4.793 4.640 -0.028 0.000 0.318 95 D C -1.046 175.373 176.300 0.198 0.000 1.234 95 D CA -0.515 53.562 54.000 0.130 0.000 0.989 95 D CB 1.266 42.115 40.800 0.081 0.000 1.442 95 D HN 0.094 nan 8.370 nan 0.000 0.537 96 N N 0.758 119.549 118.700 0.152 0.000 2.419 96 N HA 0.210 4.933 4.740 -0.028 0.000 0.264 96 N C -0.388 175.280 175.510 0.263 0.000 1.031 96 N CA -0.184 52.977 53.050 0.184 0.000 0.951 96 N CB 0.304 38.834 38.487 0.072 0.000 1.101 96 N HN 0.191 nan 8.380 nan 0.000 0.488 97 F N 1.653 121.586 119.950 -0.030 0.000 2.572 97 F HA 0.166 4.677 4.527 -0.027 0.000 0.370 97 F C 1.234 176.928 175.800 -0.178 0.000 1.103 97 F CA -0.208 57.685 58.000 -0.179 0.000 1.286 97 F CB 0.263 39.002 39.000 -0.436 0.000 1.105 97 F HN 0.233 nan 8.300 nan 0.000 0.583 98 I N 4.551 125.064 120.570 -0.094 0.000 2.330 98 I HA 0.169 4.322 4.170 -0.028 0.000 0.289 98 I C -1.049 175.011 176.117 -0.096 0.000 1.001 98 I CA -0.627 60.668 61.300 -0.009 0.000 1.193 98 I CB 0.732 38.736 38.000 0.007 0.000 1.345 98 I HN 0.394 nan 8.210 nan 0.000 0.461 99 Y N 7.073 127.480 120.300 0.179 0.000 2.342 99 Y HA 0.510 5.044 4.550 -0.027 0.000 0.338 99 Y C 0.133 176.114 175.900 0.134 0.000 0.965 99 Y CA -0.550 57.660 58.100 0.185 0.000 1.159 99 Y CB 1.009 39.587 38.460 0.197 0.000 1.157 99 Y HN 0.322 nan 8.280 nan 0.000 0.486 100 I N 2.950 123.683 120.570 0.271 0.000 2.441 100 I HA 0.337 4.491 4.170 -0.028 0.000 0.295 100 I C -0.743 175.526 176.117 0.253 0.000 0.994 100 I CA -0.732 60.690 61.300 0.203 0.000 1.144 100 I CB 1.855 39.947 38.000 0.153 0.000 1.314 100 I HN 0.516 nan 8.210 nan 0.000 0.445 101 D N 3.333 123.821 120.400 0.147 0.000 2.350 101 D HA 0.157 4.780 4.640 -0.028 0.000 0.245 101 D C 0.792 177.032 176.300 -0.101 0.000 1.036 101 D CA -0.489 53.575 54.000 0.106 0.000 0.848 101 D CB 1.913 42.787 40.800 0.123 0.000 1.307 101 D HN 0.634 nan 8.370 nan 0.000 0.469 102 E N 1.934 121.841 120.200 -0.488 0.000 2.065 102 E HA -0.282 4.052 4.350 -0.028 0.000 0.201 102 E C 0.942 177.325 176.600 -0.362 0.000 1.016 102 E CA 1.749 57.655 56.400 -0.823 0.000 0.818 102 E CB 0.214 29.015 29.700 -1.499 0.000 0.749 102 E HN 0.636 nan 8.360 nan 0.000 0.453 103 E N -0.180 119.877 120.200 -0.238 0.000 2.004 103 E HA -0.161 4.172 4.350 -0.028 0.000 0.192 103 E C 2.371 178.923 176.600 -0.080 0.000 0.987 103 E CA 0.807 57.133 56.400 -0.123 0.000 0.822 103 E CB -0.202 29.468 29.700 -0.050 0.000 0.779 103 E HN 0.105 nan 8.360 nan 0.000 0.458 104 R N 0.028 120.492 120.500 -0.060 0.000 2.083 104 R HA -0.136 4.188 4.340 -0.028 0.000 0.237 104 R C 1.071 177.321 176.300 -0.083 0.000 1.137 104 R CA 1.719 57.760 56.100 -0.098 0.000 0.951 104 R CB -0.192 29.966 30.300 -0.236 0.000 0.851 104 R HN 0.351 nan 8.270 nan 0.000 0.434 105 G N -0.598 108.163 108.800 -0.065 0.000 2.594 105 G HA2 -0.252 3.691 3.960 -0.028 0.000 0.217 105 G HA3 -0.252 3.691 3.960 -0.028 0.000 0.217 105 G C -1.133 173.768 174.900 0.002 0.000 1.163 105 G CA -0.132 44.955 45.100 -0.023 0.000 1.074 105 G HN 0.318 nan 8.290 nan 0.000 0.589 106 R N 1.177 121.687 120.500 0.016 0.000 2.288 106 R HA 0.376 4.699 4.340 -0.028 0.000 0.330 106 R C 1.079 177.399 176.300 0.034 0.000 1.069 106 R CA 0.504 56.636 56.100 0.054 0.000 0.941 106 R CB 0.936 31.275 30.300 0.065 0.000 0.998 106 R HN 1.039 nan 8.270 nan 0.000 0.452 107 V N -0.837 119.110 119.914 0.055 0.000 3.177 107 V HA 0.093 4.196 4.120 -0.028 0.000 0.342 107 V C 0.190 176.339 176.094 0.093 0.000 1.379 107 V CA -0.496 61.804 62.300 -0.001 0.000 1.191 107 V CB -0.351 31.397 31.823 -0.125 0.000 1.167 107 V HN 0.596 nan 8.190 nan 0.000 0.471 108 D N -0.390 120.131 120.400 0.202 0.000 2.229 108 D HA 0.116 4.739 4.640 -0.028 0.000 0.249 108 D C 0.461 176.919 176.300 0.263 0.000 1.027 108 D CA -0.508 53.676 54.000 0.308 0.000 0.923 108 D CB 0.602 41.687 40.800 0.475 0.000 1.174 108 D HN 0.410 nan 8.370 nan 0.000 0.443 109 H N 0.323 119.479 119.070 0.143 0.000 2.394 109 H HA -0.221 4.318 4.556 -0.028 0.000 0.322 109 H C -1.141 174.228 175.328 0.068 0.000 1.012 109 H CA 0.693 56.800 56.048 0.098 0.000 1.084 109 H CB -0.646 29.179 29.762 0.104 0.000 1.597 109 H HN 0.529 nan 8.280 nan 0.000 0.375 110 D N 1.874 122.246 120.400 -0.047 0.000 2.192 110 D HA 0.090 4.713 4.640 -0.028 0.000 0.246 110 D C 1.268 177.503 176.300 -0.108 0.000 1.042 110 D CA -0.248 53.708 54.000 -0.075 0.000 0.847 110 D CB 1.034 41.818 40.800 -0.026 0.000 1.186 110 D HN 0.691 nan 8.370 nan 0.000 0.461 111 K N 1.495 121.831 120.400 -0.107 0.000 2.283 111 K HA -0.101 4.202 4.320 -0.028 0.000 0.202 111 K C 1.231 177.804 176.600 -0.045 0.000 1.048 111 K CA 1.348 57.585 56.287 -0.084 0.000 0.948 111 K CB 0.093 32.552 32.500 -0.068 0.000 0.742 111 K HN 0.342 nan 8.250 nan 0.000 0.458 112 E N 1.335 121.515 120.200 -0.034 0.000 2.485 112 E HA 0.225 4.558 4.350 -0.028 0.000 0.213 112 E C 1.730 178.327 176.600 -0.005 0.000 0.923 112 E CA -0.070 56.321 56.400 -0.016 0.000 1.054 112 E CB -0.224 29.468 29.700 -0.014 0.000 1.077 112 E HN 0.284 nan 8.360 nan 0.000 0.509 113 L N -0.355 120.861 121.223 -0.011 0.000 2.253 113 L HA 0.284 4.607 4.340 -0.028 0.000 0.205 113 L C 1.002 177.882 176.870 0.017 0.000 1.078 113 L CA 0.222 55.065 54.840 0.006 0.000 0.805 113 L CB -0.006 42.044 42.059 -0.014 0.000 0.963 113 L HN 0.247 nan 8.230 nan 0.000 0.459 114 L N 0.485 121.710 121.223 0.003 0.000 3.851 114 L HA -0.311 4.013 4.340 -0.028 0.000 0.438 114 L C 1.561 178.448 176.870 0.029 0.000 1.171 114 L CA -0.139 54.710 54.840 0.015 0.000 0.895 114 L CB -1.608 40.462 42.059 0.018 0.000 1.800 114 L HN 0.355 nan 8.230 nan 0.000 0.960 115 L N -0.379 120.856 121.223 0.019 0.000 1.990 115 L HA -0.266 4.057 4.340 -0.028 0.000 0.213 115 L C 2.355 179.225 176.870 -0.000 0.000 1.072 115 L CA 2.239 57.082 54.840 0.004 0.000 0.755 115 L CB -0.191 41.838 42.059 -0.050 0.000 0.889 115 L HN 0.409 nan 8.230 nan 0.000 0.432 116 E N 0.186 120.391 120.200 0.008 0.000 2.118 116 E HA -0.214 4.119 4.350 -0.028 0.000 0.195 116 E C 2.080 178.708 176.600 0.047 0.000 0.992 116 E CA 1.240 57.660 56.400 0.035 0.000 0.804 116 E CB -0.289 29.462 29.700 0.085 0.000 0.741 116 E HN 0.481 nan 8.360 nan 0.000 0.458 117 I N 0.448 121.048 120.570 0.049 0.000 2.315 117 I HA -0.210 3.943 4.170 -0.028 0.000 0.248 117 I C 2.215 178.357 176.117 0.041 0.000 1.117 117 I CA 0.997 62.324 61.300 0.046 0.000 1.404 117 I CB -0.371 37.656 38.000 0.045 0.000 1.071 117 I HN 0.114 nan 8.210 nan 0.000 0.419 118 V N -2.191 117.753 119.914 0.050 0.000 2.871 118 V HA -0.150 3.953 4.120 -0.028 0.000 0.256 118 V C 1.917 178.006 176.094 -0.009 0.000 1.082 118 V CA 1.761 64.101 62.300 0.067 0.000 1.105 118 V CB -0.618 31.282 31.823 0.129 0.000 0.713 118 V HN 0.302 nan 8.190 nan 0.000 0.473 119 D N 2.244 122.644 120.400 0.000 0.000 2.097 119 D HA -0.138 4.485 4.640 -0.028 0.000 0.197 119 D C 2.241 178.519 176.300 -0.036 0.000 0.984 119 D CA 2.162 56.156 54.000 -0.011 0.000 0.826 119 D CB -0.476 40.363 40.800 0.065 0.000 0.973 119 D HN 0.566 nan 8.370 nan 0.000 0.460 120 N N 0.380 119.080 118.700 -0.000 0.000 2.149 120 N HA -0.213 4.510 4.740 -0.028 0.000 0.188 120 N C 1.864 177.335 175.510 -0.066 0.000 1.019 120 N CA 1.670 54.714 53.050 -0.010 0.000 0.857 120 N CB -0.817 37.683 38.487 0.022 0.000 0.997 120 N HN 0.504 nan 8.380 nan 0.000 0.426 121 E N -0.953 119.208 120.200 -0.064 0.000 2.072 121 E HA -0.167 4.167 4.350 -0.028 0.000 0.191 121 E C 2.116 178.597 176.600 -0.198 0.000 0.985 121 E CA 1.434 57.801 56.400 -0.055 0.000 0.801 121 E CB -0.148 29.579 29.700 0.046 0.000 0.750 121 E HN 0.607 nan 8.360 nan 0.000 0.452 122 M N 0.604 119.913 119.600 -0.485 0.000 2.108 122 M HA -0.139 4.324 4.480 -0.028 0.000 0.261 122 M C 2.025 178.064 176.300 -0.434 0.000 1.066 122 M CA 1.733 56.529 55.300 -0.841 0.000 1.107 122 M CB -0.373 31.768 32.600 -0.764 0.000 1.356 122 M HN -0.067 nan 8.290 nan 0.000 0.406 123 S N 0.282 115.723 115.700 -0.432 0.000 2.351 123 S HA -0.163 4.290 4.470 -0.028 0.000 0.220 123 S C 1.946 176.260 174.600 -0.477 0.000 1.035 123 S CA 1.737 59.492 58.200 -0.742 0.000 1.031 123 S CB -0.489 62.506 63.200 -0.341 0.000 0.928 123 S HN 0.438 nan 8.310 nan 0.000 0.433 124 K N 0.972 121.239 120.400 -0.221 0.000 2.152 124 K HA -0.038 4.265 4.320 -0.028 0.000 0.206 124 K C 1.647 178.190 176.600 -0.095 0.000 1.048 124 K CA 0.942 57.156 56.287 -0.121 0.000 0.933 124 K CB -0.620 31.853 32.500 -0.046 0.000 0.721 124 K HN 0.323 nan 8.250 nan 0.000 0.447 125 F N 0.575 120.396 119.950 -0.215 0.000 2.069 125 F HA -0.190 4.320 4.527 -0.028 0.000 0.298 125 F C 1.903 177.577 175.800 -0.210 0.000 1.113 125 F CA 1.733 59.648 58.000 -0.141 0.000 1.214 125 F CB -0.940 38.019 39.000 -0.068 0.000 0.978 125 F HN 0.052 nan 8.300 nan 0.000 0.474 126 A N -0.005 122.568 122.820 -0.411 0.000 1.883 126 A HA -0.276 4.027 4.320 -0.028 0.000 0.217 126 A C 2.292 179.603 177.584 -0.455 0.000 1.186 126 A CA 1.929 53.666 52.037 -0.500 0.000 0.624 126 A CB -1.237 17.587 19.000 -0.294 0.000 0.822 126 A HN 0.591 nan 8.150 nan 0.000 0.444 127 E N -0.328 119.702 120.200 -0.282 0.000 2.097 127 E HA -0.196 4.137 4.350 -0.028 0.000 0.196 127 E C 1.851 178.338 176.600 -0.190 0.000 1.000 127 E CA 1.308 57.620 56.400 -0.146 0.000 0.804 127 E CB -0.213 29.425 29.700 -0.104 0.000 0.740 127 E HN 0.650 nan 8.360 nan 0.000 0.454 128 L N 0.362 121.441 121.223 -0.239 0.000 2.376 128 L HA -0.118 4.205 4.340 -0.028 0.000 0.219 128 L C 2.267 179.012 176.870 -0.209 0.000 1.133 128 L CA 0.589 55.316 54.840 -0.189 0.000 0.816 128 L CB -0.135 41.847 42.059 -0.127 0.000 0.933 128 L HN 0.113 nan 8.230 nan 0.000 0.449 129 E N -0.165 119.720 120.200 -0.524 0.000 2.112 129 E HA -0.054 4.279 4.350 -0.028 0.000 0.190 129 E C 1.224 177.583 176.600 -0.402 0.000 0.979 129 E CA 1.231 57.200 56.400 -0.717 0.000 0.814 129 E CB 0.180 29.042 29.700 -1.397 0.000 0.762 129 E HN 0.373 nan 8.360 nan 0.000 0.460 130 F N -2.108 117.908 119.950 0.111 0.000 2.123 130 F HA 0.281 4.791 4.527 -0.028 0.000 0.207 130 F C 1.124 176.904 175.800 -0.033 0.000 1.198 130 F CA -0.190 57.894 58.000 0.140 0.000 1.265 130 F CB -0.918 38.116 39.000 0.058 0.000 1.722 130 F HN -0.061 nan 8.300 nan 0.000 0.351 131 H N 0.313 119.493 119.070 0.184 0.000 1.510 131 H HA 0.267 4.806 4.556 -0.028 0.000 0.310 131 H C 0.655 175.898 175.328 -0.141 0.000 0.723 131 H CA 1.242 57.301 56.048 0.018 0.000 1.075 131 H CB -2.185 27.576 29.762 -0.002 0.000 1.401 131 H HN 1.405 nan 8.280 nan 0.000 0.220 132 Q N 0.309 120.065 119.800 -0.074 0.000 2.367 132 Q HA -0.073 4.250 4.340 -0.028 0.000 0.292 132 Q C -0.149 175.746 176.000 -0.175 0.000 1.368 132 Q CA 1.559 57.294 55.803 -0.113 0.000 0.683 132 Q CB -2.655 nan 28.738 nan 0.000 1.061 132 Q HN 1.892 nan 8.270 nan 0.000 0.362 133 H N -0.990 118.117 119.070 0.062 0.000 3.287 133 H HA 0.553 5.093 4.556 -0.028 0.000 0.329 133 H C -0.212 175.153 175.328 0.062 0.000 1.130 133 H CA -0.836 55.249 56.048 0.063 0.000 1.593 133 H CB 1.110 30.926 29.762 0.089 0.000 1.916 133 H HN 0.594 nan 8.280 nan 0.000 0.503 134 L N 2.713 124.039 121.223 0.171 0.000 2.305 134 L HA 0.368 4.692 4.340 -0.028 0.000 0.281 134 L C 1.227 178.140 176.870 0.072 0.000 1.085 134 L CA 0.818 55.717 54.840 0.098 0.000 0.813 134 L CB 1.175 43.276 42.059 0.070 0.000 1.157 134 L HN 1.064 nan 8.230 nan 0.000 0.436 135 G N 1.875 110.709 108.800 0.057 0.000 3.642 135 G HA2 -0.280 3.664 3.960 -0.028 0.000 0.205 135 G HA3 -0.280 3.664 3.960 -0.028 0.000 0.205 135 G C 0.205 175.131 174.900 0.043 0.000 1.526 135 G CA -0.267 44.855 45.100 0.037 0.000 1.097 135 G HN 0.388 nan 8.290 nan 0.000 0.596 136 V N 3.475 123.417 119.914 0.046 0.000 3.064 136 V HA 0.066 4.170 4.120 -0.028 0.000 0.276 136 V C 1.410 177.561 176.094 0.096 0.000 1.021 136 V CA 1.294 63.639 62.300 0.075 0.000 1.188 136 V CB -0.852 31.063 31.823 0.153 0.000 0.777 136 V HN 0.741 nan 8.190 nan 0.000 0.433 137 S N 3.527 119.270 115.700 0.071 0.000 2.611 137 S HA 0.029 4.482 4.470 -0.028 0.000 0.252 137 S C 0.811 175.455 174.600 0.073 0.000 1.369 137 S CA -0.236 57.999 58.200 0.058 0.000 0.975 137 S CB 0.624 63.853 63.200 0.049 0.000 0.937 137 S HN 0.905 nan 8.310 nan 0.000 0.584 138 D N -0.512 119.912 120.400 0.040 0.000 2.306 138 D HA 0.293 4.917 4.640 -0.028 0.000 0.282 138 D C 0.332 176.685 176.300 0.088 0.000 1.195 138 D CA 0.907 54.918 54.000 0.019 0.000 0.955 138 D CB 0.010 40.799 40.800 -0.019 0.000 0.921 138 D HN 1.022 nan 8.370 nan 0.000 0.269 139 C N -0.963 118.380 119.300 0.071 0.000 0.169 139 C HA 0.176 4.619 4.460 -0.028 0.000 0.017 139 C C 0.135 175.190 174.990 0.109 0.000 0.171 139 C CA -0.959 58.114 59.018 0.092 0.000 0.499 139 C CB -2.295 25.516 27.740 0.118 0.000 3.212 139 C HN 0.631 nan 8.230 nan 0.000 1.118 140 S N 2.625 118.384 115.700 0.100 0.000 2.576 140 S HA 0.370 4.823 4.470 -0.028 0.000 0.272 140 S C 0.689 175.419 174.600 0.217 0.000 1.352 140 S CA 0.347 58.623 58.200 0.126 0.000 1.021 140 S CB 0.368 63.619 63.200 0.085 0.000 0.887 140 S HN 2.024 nan 8.310 nan 0.000 0.542 141 F N 1.469 121.465 119.950 0.076 0.000 2.171 141 F HA -0.094 4.416 4.527 -0.028 0.000 0.300 141 F C 1.863 177.733 175.800 0.117 0.000 1.090 141 F CA 1.397 59.467 58.000 0.116 0.000 1.293 141 F CB -0.237 38.823 39.000 0.100 0.000 1.013 141 F HN 0.725 nan 8.300 nan 0.000 0.486 142 F N 2.072 121.874 119.950 -0.247 0.000 2.095 142 F HA -0.231 4.279 4.527 -0.028 0.000 0.298 142 F C 2.629 178.168 175.800 -0.435 0.000 1.104 142 F CA 2.721 60.268 58.000 -0.754 0.000 1.232 142 F CB -1.323 36.946 39.000 -1.218 0.000 0.987 142 F HN 0.134 nan 8.300 nan 0.000 0.475 143 Q N 0.920 120.558 119.800 -0.270 0.000 2.030 143 Q HA -0.203 4.120 4.340 -0.028 0.000 0.204 143 Q C 2.181 178.077 176.000 -0.173 0.000 0.986 143 Q CA 2.062 57.718 55.803 -0.244 0.000 0.843 143 Q CB -1.597 27.152 28.738 0.019 0.000 0.904 143 Q HN 0.601 nan 8.270 nan 0.000 0.420 144 L N 0.343 121.582 121.223 0.026 0.000 2.013 144 L HA -0.128 4.195 4.340 -0.028 0.000 0.212 144 L C 2.580 179.553 176.870 0.173 0.000 1.073 144 L CA 2.028 56.984 54.840 0.194 0.000 0.753 144 L CB -0.544 41.741 42.059 0.377 0.000 0.890 144 L HN 0.336 nan 8.230 nan 0.000 0.432 145 V N -0.672 119.235 119.914 -0.012 0.000 2.720 145 V HA -0.277 3.826 4.120 -0.028 0.000 0.256 145 V C 2.446 178.513 176.094 -0.045 0.000 1.082 145 V CA 1.405 63.699 62.300 -0.010 0.000 1.101 145 V CB -0.582 31.159 31.823 -0.136 0.000 0.693 145 V HN 0.410 nan 8.190 nan 0.000 0.479 146 M N -0.484 118.962 119.600 -0.257 0.000 2.287 146 M HA -0.042 4.421 4.480 -0.028 0.000 0.266 146 M C 2.137 178.380 176.300 -0.095 0.000 1.079 146 M CA 1.452 56.614 55.300 -0.230 0.000 1.146 146 M CB -1.040 31.289 32.600 -0.451 0.000 1.374 146 M HN 0.288 nan 8.290 nan 0.000 0.435 147 K N -0.357 120.032 120.400 -0.018 0.000 2.057 147 K HA -0.227 4.076 4.320 -0.028 0.000 0.207 147 K C 2.168 178.741 176.600 -0.046 0.000 1.049 147 K CA 1.454 57.772 56.287 0.052 0.000 0.931 147 K CB -0.304 32.319 32.500 0.207 0.000 0.714 147 K HN 0.208 nan 8.250 nan 0.000 0.440 148 Y N 1.572 121.737 120.300 -0.225 0.000 2.097 148 Y HA -0.216 4.318 4.550 -0.028 0.000 0.282 148 Y C 1.726 177.388 175.900 -0.396 0.000 1.152 148 Y CA 1.688 59.334 58.100 -0.757 0.000 1.136 148 Y CB -0.429 37.672 38.460 -0.597 0.000 0.975 148 Y HN 0.008 nan 8.280 nan 0.000 0.498 149 L N -0.125 120.936 121.223 -0.271 0.000 2.129 149 L HA -0.260 4.063 4.340 -0.028 0.000 0.212 149 L C 2.534 179.206 176.870 -0.330 0.000 1.087 149 L CA 1.033 55.694 54.840 -0.297 0.000 0.757 149 L CB -0.606 41.407 42.059 -0.076 0.000 0.896 149 L HN 0.412 nan 8.230 nan 0.000 0.434 150 L N -0.171 120.893 121.223 -0.265 0.000 2.102 150 L HA -0.162 4.161 4.340 -0.028 0.000 0.202 150 L C 2.282 179.018 176.870 -0.224 0.000 1.076 150 L CA 1.603 56.314 54.840 -0.214 0.000 0.761 150 L CB -0.642 41.334 42.059 -0.139 0.000 0.921 150 L HN 0.384 nan 8.230 nan 0.000 0.444 151 Q N -0.361 119.292 119.800 -0.245 0.000 2.515 151 Q HA -0.106 4.217 4.340 -0.028 0.000 0.212 151 Q C 0.544 176.416 176.000 -0.215 0.000 0.970 151 Q CA 0.641 56.329 55.803 -0.192 0.000 0.941 151 Q CB 0.285 28.938 28.738 -0.141 0.000 0.998 151 Q HN 0.333 nan 8.270 nan 0.000 0.518 152 R N -0.534 119.757 120.500 -0.349 0.000 2.569 152 R HA 0.101 4.424 4.340 -0.028 0.000 0.422 152 R C 1.184 177.341 176.300 -0.237 0.000 0.980 152 R CA 0.017 55.984 56.100 -0.221 0.000 1.164 152 R CB 0.175 30.160 30.300 -0.525 0.000 1.520 152 R HN 0.299 nan 8.270 nan 0.000 0.567 153 R N 0.635 120.952 120.500 -0.305 0.000 2.170 153 R HA -0.167 4.156 4.340 -0.028 0.000 0.242 153 R C 1.526 177.606 176.300 -0.367 0.000 1.145 153 R CA 1.451 57.373 56.100 -0.296 0.000 0.984 153 R CB -0.341 29.799 30.300 -0.267 0.000 0.869 153 R HN 0.169 nan 8.270 nan 0.000 0.455 154 Q N 0.366 119.801 119.800 -0.609 0.000 2.500 154 Q HA -0.074 4.250 4.340 -0.028 0.000 0.213 154 Q C -0.099 175.229 176.000 -1.121 0.000 0.974 154 Q CA 0.915 56.134 55.803 -0.974 0.000 0.918 154 Q CB 0.155 28.062 28.738 -1.384 0.000 0.980 154 Q HN 0.551 nan 8.270 nan 0.000 0.505 155 F N -0.379 119.501 119.950 -0.116 0.000 2.815 155 F HA 0.356 4.866 4.527 -0.028 0.000 0.323 155 F C -0.668 175.086 175.800 -0.076 0.000 1.151 155 F CA -0.502 57.448 58.000 -0.085 0.000 1.191 155 F CB 0.690 39.643 39.000 -0.078 0.000 1.069 155 F HN -0.166 nan 8.300 nan 0.000 0.514 156 L N 1.093 122.310 121.223 -0.011 0.000 2.385 156 L HA 0.510 4.833 4.340 -0.028 0.000 0.273 156 L C 0.527 177.378 176.870 -0.032 0.000 0.990 156 L CA -0.907 53.929 54.840 -0.007 0.000 0.821 156 L CB 2.267 44.298 42.059 -0.048 0.000 1.279 156 L HN 0.172 nan 8.230 nan 0.000 0.412 157 T N -1.547 113.008 114.554 0.002 0.000 2.766 157 T HA 0.083 4.416 4.350 -0.028 0.000 0.295 157 T C 0.889 175.584 174.700 -0.009 0.000 1.024 157 T CA -0.096 62.001 62.100 -0.004 0.000 1.018 157 T CB 0.661 69.541 68.868 0.019 0.000 1.002 157 T HN 0.662 nan 8.240 nan 0.000 0.532 158 N N 0.215 118.908 118.700 -0.011 0.000 2.166 158 N HA -0.127 4.596 4.740 -0.028 0.000 0.186 158 N C 1.136 176.666 175.510 0.033 0.000 1.019 158 N CA 1.159 54.200 53.050 -0.016 0.000 0.856 158 N CB -0.098 38.380 38.487 -0.016 0.000 0.993 158 N HN 0.620 nan 8.380 nan 0.000 0.426 159 D N 0.660 121.111 120.400 0.085 0.000 2.224 159 D HA -0.079 4.545 4.640 -0.028 0.000 0.205 159 D C 1.911 178.344 176.300 0.223 0.000 0.965 159 D CA 0.794 54.914 54.000 0.200 0.000 0.852 159 D CB 0.007 40.927 40.800 0.200 0.000 0.947 159 D HN 0.362 nan 8.370 nan 0.000 0.494 160 Q N 0.095 119.972 119.800 0.129 0.000 2.016 160 Q HA -0.025 4.298 4.340 -0.028 0.000 0.200 160 Q C 2.415 178.490 176.000 0.126 0.000 0.978 160 Q CA 0.707 56.587 55.803 0.129 0.000 0.833 160 Q CB -0.010 28.783 28.738 0.090 0.000 0.895 160 Q HN 0.324 nan 8.270 nan 0.000 0.427 161 I N 0.639 121.246 120.570 0.062 0.000 2.399 161 I HA -0.302 3.851 4.170 -0.028 0.000 0.254 161 I C 2.626 178.827 176.117 0.139 0.000 1.146 161 I CA 1.132 62.453 61.300 0.034 0.000 1.412 161 I CB -0.281 37.648 38.000 -0.119 0.000 1.076 161 I HN 0.197 nan 8.210 nan 0.000 0.432 162 R N 0.406 120.967 120.500 0.102 0.000 2.055 162 R HA -0.089 4.234 4.340 -0.028 0.000 0.221 162 R C 2.257 178.514 176.300 -0.071 0.000 1.154 162 R CA 1.097 57.236 56.100 0.065 0.000 0.975 162 R CB -0.275 29.922 30.300 -0.171 0.000 0.869 162 R HN 0.194 nan 8.270 nan 0.000 0.437 163 Y N 0.757 121.124 120.300 0.111 0.000 2.516 163 Y HA -0.104 4.429 4.550 -0.028 0.000 0.291 163 Y C 1.887 177.818 175.900 0.051 0.000 1.131 163 Y CA 0.196 58.337 58.100 0.068 0.000 1.281 163 Y CB 0.070 38.556 38.460 0.044 0.000 1.013 163 Y HN 0.188 nan 8.280 nan 0.000 0.554 164 L N 2.337 123.672 121.223 0.187 0.000 1.973 164 L HA -0.045 4.278 4.340 -0.028 0.000 0.208 164 L C -0.576 176.346 176.870 0.087 0.000 1.073 164 L CA 1.715 56.633 54.840 0.129 0.000 0.746 164 L CB -1.916 40.236 42.059 0.154 0.000 0.891 164 L HN -0.063 nan 8.230 nan 0.000 0.433 165 P HA -0.227 nan 4.420 nan 0.000 0.218 165 P C 1.121 178.357 177.300 -0.108 0.000 1.146 165 P CA 1.490 64.641 63.100 0.083 0.000 0.820 165 P CB -0.116 31.717 31.700 0.221 0.000 0.778 166 Q N -0.499 119.254 119.800 -0.079 0.000 2.096 166 Q HA -0.008 4.315 4.340 -0.028 0.000 0.197 166 Q C 2.407 178.377 176.000 -0.049 0.000 0.964 166 Q CA 0.753 56.476 55.803 -0.133 0.000 0.838 166 Q CB -1.107 27.624 28.738 -0.012 0.000 0.906 166 Q HN 0.335 nan 8.270 nan 0.000 0.444 167 L N -0.079 121.154 121.223 0.017 0.000 2.093 167 L HA -0.131 4.192 4.340 -0.028 0.000 0.208 167 L C 2.477 179.370 176.870 0.039 0.000 1.085 167 L CA 1.118 55.986 54.840 0.048 0.000 0.755 167 L CB -0.367 41.580 42.059 -0.188 0.000 0.904 167 L HN 0.278 nan 8.230 nan 0.000 0.435 168 C N 0.840 120.095 119.300 -0.076 0.000 2.403 168 C HA -0.194 4.250 4.460 -0.028 0.000 0.279 168 C C 2.758 177.565 174.990 -0.305 0.000 1.269 168 C CA 1.127 60.047 59.018 -0.163 0.000 1.774 168 C CB -1.181 26.533 27.740 -0.043 0.000 1.993 168 C HN 0.511 nan 8.230 nan 0.000 0.496 169 R N -0.253 120.096 120.500 -0.252 0.000 2.323 169 R HA -0.031 4.293 4.340 -0.028 0.000 0.198 169 R C 1.646 177.862 176.300 -0.141 0.000 0.988 169 R CA 0.933 56.899 56.100 -0.223 0.000 1.041 169 R CB -0.447 29.558 30.300 -0.491 0.000 0.926 169 R HN 0.920 nan 8.270 nan 0.000 0.476 170 Y N -1.081 119.225 120.300 0.011 0.000 2.483 170 Y HA -0.093 4.441 4.550 -0.028 0.000 0.291 170 Y C 1.512 177.303 175.900 -0.182 0.000 1.143 170 Y CA 0.433 58.546 58.100 0.022 0.000 1.289 170 Y CB -0.663 37.888 38.460 0.151 0.000 0.983 170 Y HN -0.029 nan 8.280 nan 0.000 0.556 171 L N 0.615 121.438 121.223 -0.667 0.000 2.191 171 L HA -0.160 4.163 4.340 -0.028 0.000 0.212 171 L C 2.294 179.026 176.870 -0.230 0.000 1.103 171 L CA 1.405 55.734 54.840 -0.852 0.000 0.769 171 L CB -0.501 40.877 42.059 -1.134 0.000 0.908 171 L HN 0.352 nan 8.230 nan 0.000 0.438 172 E N 0.034 120.228 120.200 -0.009 0.000 2.130 172 E HA -0.229 4.104 4.350 -0.028 0.000 0.196 172 E C 1.798 178.532 176.600 0.224 0.000 0.998 172 E CA 0.888 57.377 56.400 0.149 0.000 0.806 172 E CB -0.067 29.711 29.700 0.130 0.000 0.738 172 E HN 0.354 nan 8.360 nan 0.000 0.459 173 L N -0.488 120.884 121.223 0.249 0.000 2.610 173 L HA -0.069 4.254 4.340 -0.028 0.000 0.232 173 L C 1.429 178.598 176.870 0.498 0.000 1.149 173 L CA 0.861 55.923 54.840 0.371 0.000 0.872 173 L CB -1.056 41.249 42.059 0.411 0.000 0.992 173 L HN 0.290 nan 8.230 nan 0.000 0.447 174 W N -0.689 120.669 121.300 0.097 0.000 2.580 174 W HA 0.066 4.709 4.660 -0.028 0.000 0.287 174 W C 2.728 179.273 176.519 0.043 0.000 1.175 174 W CA 0.227 57.575 57.345 0.005 0.000 1.409 174 W CB -0.654 28.638 29.460 -0.280 0.000 1.101 174 W HN 0.227 nan 8.180 nan 0.000 0.558 175 H N -1.259 118.061 119.070 0.417 0.000 2.448 175 H HA 0.160 4.700 4.556 -0.028 0.000 0.292 175 H C 1.974 177.421 175.328 0.199 0.000 1.035 175 H CA 1.610 57.851 56.048 0.321 0.000 1.349 175 H CB -0.148 29.717 29.762 0.171 0.000 1.425 175 H HN 0.224 nan 8.280 nan 0.000 0.539 176 G N 0.408 109.378 108.800 0.284 0.000 2.176 176 G HA2 -0.219 3.724 3.960 -0.028 0.000 0.253 176 G HA3 -0.219 3.724 3.960 -0.028 0.000 0.253 176 G C -0.247 174.742 174.900 0.147 0.000 0.979 176 G CA 0.094 45.276 45.100 0.138 0.000 0.641 176 G HN 0.100 nan 8.290 nan 0.000 0.530 177 L N 0.698 122.042 121.223 0.202 0.000 2.342 177 L HA 0.630 4.953 4.340 -0.028 0.000 0.271 177 L C 0.159 177.132 176.870 0.172 0.000 1.008 177 L CA -1.461 53.478 54.840 0.166 0.000 0.818 177 L CB 1.432 43.590 42.059 0.165 0.000 1.296 177 L HN 0.285 nan 8.230 nan 0.000 0.427 178 D N 1.249 121.737 120.400 0.145 0.000 2.382 178 D HA -0.005 4.618 4.640 -0.028 0.000 0.245 178 D C 1.064 177.557 176.300 0.323 0.000 1.120 178 D CA -0.216 53.906 54.000 0.204 0.000 0.890 178 D CB 0.800 41.697 40.800 0.161 0.000 1.201 178 D HN 0.479 nan 8.370 nan 0.000 0.433 179 W N 4.045 125.407 121.300 0.103 0.000 2.361 179 W HA -0.154 4.489 4.660 -0.027 0.000 0.270 179 W C 0.507 177.096 176.519 0.117 0.000 1.210 179 W CA 0.692 58.139 57.345 0.169 0.000 1.174 179 W CB -0.877 28.613 29.460 0.049 0.000 1.131 179 W HN 0.431 nan 8.180 nan 0.000 0.575 180 K N 0.117 120.599 120.400 0.136 0.000 2.356 180 K HA 0.145 4.448 4.320 -0.028 0.000 0.195 180 K C 2.075 178.624 176.600 -0.086 0.000 1.037 180 K CA 0.528 56.736 56.287 -0.132 0.000 1.014 180 K CB 0.065 32.392 32.500 -0.287 0.000 0.815 180 K HN 0.192 nan 8.250 nan 0.000 0.507 181 L N 0.327 121.514 121.223 -0.059 0.000 2.357 181 L HA 0.125 4.448 4.340 -0.028 0.000 0.211 181 L C 0.529 177.312 176.870 -0.145 0.000 1.075 181 L CA -0.305 54.400 54.840 -0.225 0.000 0.830 181 L CB 0.047 41.912 42.059 -0.322 0.000 0.996 181 L HN 0.103 nan 8.230 nan 0.000 0.467 182 L N 1.233 122.472 121.223 0.027 0.000 2.453 182 L HA 0.055 4.378 4.340 -0.028 0.000 0.272 182 L C 0.734 177.636 176.870 0.053 0.000 1.182 182 L CA 0.184 55.055 54.840 0.052 0.000 0.858 182 L CB 0.892 42.997 42.059 0.075 0.000 1.120 182 L HN 0.036 nan 8.230 nan 0.000 0.474 183 S N 4.385 120.088 115.700 0.005 0.000 2.474 183 S HA 0.471 4.924 4.470 -0.028 0.000 0.276 183 S C 1.266 175.832 174.600 -0.057 0.000 1.227 183 S CA -0.233 57.965 58.200 -0.004 0.000 1.050 183 S CB 0.965 64.163 63.200 -0.004 0.000 0.939 183 S HN 0.944 nan 8.310 nan 0.000 0.490 184 A N 5.401 128.243 122.820 0.036 0.000 1.859 184 A HA -0.160 4.143 4.320 -0.028 0.000 0.217 184 A C 2.072 179.582 177.584 -0.123 0.000 1.198 184 A CA 2.002 54.108 52.037 0.116 0.000 0.629 184 A CB -1.078 18.142 19.000 0.367 0.000 0.830 184 A HN 0.935 nan 8.150 nan 0.000 0.446 185 K N -1.418 118.632 120.400 -0.584 0.000 2.374 185 K HA -0.243 4.060 4.320 -0.028 0.000 0.202 185 K C 0.904 177.294 176.600 -0.351 0.000 1.044 185 K CA 1.744 57.424 56.287 -1.011 0.000 0.933 185 K CB -0.064 31.958 32.500 -0.797 0.000 0.745 185 K HN 0.512 nan 8.250 nan 0.000 0.474 186 D N -1.908 118.378 120.400 -0.190 0.000 2.500 186 D HA 0.054 4.677 4.640 -0.028 0.000 0.218 186 D C 0.965 177.204 176.300 -0.100 0.000 1.140 186 D CA 0.298 54.264 54.000 -0.057 0.000 0.830 186 D CB 0.417 41.199 40.800 -0.030 0.000 1.055 186 D HN 0.013 nan 8.370 nan 0.000 0.512 187 T N -0.285 114.086 114.554 -0.305 0.000 2.580 187 T HA -0.170 4.163 4.350 -0.028 0.000 0.265 187 T C 0.507 174.904 174.700 -0.506 0.000 1.063 187 T CA 1.175 62.895 62.100 -0.633 0.000 1.170 187 T CB -0.474 67.740 68.868 -1.090 0.000 0.863 187 T HN 0.132 nan 8.240 nan 0.000 0.418 188 Y N 2.733 122.893 120.300 -0.233 0.000 2.480 188 Y HA 0.406 4.940 4.550 -0.028 0.000 0.341 188 Y C -0.234 175.694 175.900 0.047 0.000 1.031 188 Y CA -1.332 56.667 58.100 -0.167 0.000 1.295 188 Y CB -0.089 38.328 38.460 -0.072 0.000 1.162 188 Y HN 0.208 nan 8.280 nan 0.000 0.523 189 F N -0.034 120.041 119.950 0.208 0.000 2.601 189 F HA 0.834 5.343 4.527 -0.029 0.000 0.309 189 F C -0.116 175.693 175.800 0.014 0.000 1.089 189 F CA -2.680 55.383 58.000 0.105 0.000 0.940 189 F CB 0.556 39.586 39.000 0.049 0.000 1.273 189 F HN 0.488 nan 8.300 nan 0.000 0.450 190 G N 0.894 109.872 108.800 0.296 0.000 2.467 190 G HA2 0.379 4.322 3.960 -0.028 0.000 0.257 190 G HA3 0.379 4.322 3.960 -0.028 0.000 0.257 190 G C -1.214 173.676 174.900 -0.016 0.000 1.227 190 G CA -0.444 44.746 45.100 0.149 0.000 0.835 190 G HN 0.811 nan 8.290 nan 0.000 0.556 191 H N 1.707 120.871 119.070 0.156 0.000 2.551 191 H HA 0.188 4.728 4.556 -0.027 0.000 0.321 191 H C -0.082 175.261 175.328 0.024 0.000 1.028 191 H CA -0.497 55.577 56.048 0.043 0.000 1.215 191 H CB 1.802 31.562 29.762 -0.004 0.000 1.414 191 H HN 0.384 nan 8.280 nan 0.000 0.480 192 Q N 2.667 122.536 119.800 0.114 0.000 3.004 192 Q HA 0.291 4.614 4.340 -0.028 0.000 0.256 192 Q C 0.979 177.001 176.000 0.036 0.000 1.387 192 Q CA -0.120 55.719 55.803 0.060 0.000 0.962 192 Q CB -0.105 28.649 28.738 0.028 0.000 1.676 192 Q HN 1.014 nan 8.270 nan 0.000 0.568 193 G N 0.929 109.760 108.800 0.052 0.000 2.566 193 G HA2 -0.182 3.761 3.960 -0.028 0.000 0.599 193 G HA3 -0.182 3.761 3.960 -0.028 0.000 0.599 193 G C -0.757 174.146 174.900 0.005 0.000 1.292 193 G CA -1.081 44.035 45.100 0.028 0.000 0.922 193 G HN 0.464 nan 8.290 nan 0.000 0.514 194 R N 0.118 120.639 120.500 0.036 0.000 2.726 194 R HA 0.331 4.654 4.340 -0.028 0.000 0.272 194 R C 0.450 176.676 176.300 -0.123 0.000 1.097 194 R CA -0.400 55.722 56.100 0.036 0.000 1.198 194 R CB 0.225 30.683 30.300 0.263 0.000 1.114 194 R HN 0.597 nan 8.270 nan 0.000 0.550 195 N N -0.268 118.308 118.700 -0.207 0.000 2.492 195 N HA 0.353 5.076 4.740 -0.028 0.000 0.289 195 N C -1.144 174.042 175.510 -0.539 0.000 1.133 195 N CA -0.367 52.469 53.050 -0.356 0.000 0.961 195 N CB 1.957 40.204 38.487 -0.400 0.000 1.186 195 N HN 0.540 nan 8.380 nan 0.000 0.493 196 A N 1.562 124.021 122.820 -0.601 0.000 2.310 196 A HA 0.356 4.659 4.320 -0.028 0.000 0.304 196 A C -0.866 176.681 177.584 -0.062 0.000 1.231 196 A CA -0.673 50.953 52.037 -0.685 0.000 0.799 196 A CB 0.052 18.340 19.000 -1.186 0.000 1.162 196 A HN 0.604 nan 8.150 nan 0.000 0.486 197 F N 3.543 123.522 119.950 0.048 0.000 2.506 197 F HA 0.448 4.956 4.527 -0.032 0.000 0.371 197 F C 0.800 176.523 175.800 -0.129 0.000 1.078 197 F CA -0.128 57.859 58.000 -0.022 0.000 1.195 197 F CB 0.673 39.695 39.000 0.036 0.000 1.099 197 F HN 0.711 nan 8.300 nan 0.000 0.548 198 A N 7.727 130.058 122.820 -0.815 0.000 2.404 198 A HA 0.319 4.622 4.320 -0.028 0.000 0.273 198 A C -0.212 177.044 177.584 -0.546 0.000 1.144 198 A CA -0.506 51.113 52.037 -0.697 0.000 0.806 198 A CB -0.229 18.021 19.000 -1.250 0.000 1.080 198 A HN 0.884 nan 8.150 nan 0.000 0.509 199 L N 2.798 123.908 121.223 -0.187 0.000 2.466 199 L HA 0.367 4.690 4.340 -0.028 0.000 0.248 199 L C 0.957 177.758 176.870 -0.115 0.000 1.240 199 L CA 0.794 55.577 54.840 -0.095 0.000 1.180 199 L CB -1.119 40.941 42.059 0.001 0.000 1.413 199 L HN 1.065 nan 8.230 nan 0.000 0.406 200 N N -0.015 118.584 118.700 -0.168 0.000 3.356 200 N HA -0.200 4.523 4.740 -0.028 0.000 0.261 200 N C -0.151 175.306 175.510 -0.089 0.000 1.357 200 N CA 0.214 53.207 53.050 -0.095 0.000 1.288 200 N CB -1.976 nan 38.487 nan 0.000 1.059 200 N HN 0.429 nan 8.380 nan 0.000 0.518 201 Y N 0.162 120.372 120.300 -0.149 0.000 2.395 201 Y HA -0.084 4.449 4.550 -0.028 0.000 0.293 201 Y C 2.407 178.277 175.900 -0.049 0.000 1.123 201 Y CA 1.622 59.641 58.100 -0.135 0.000 1.227 201 Y CB 0.490 38.839 38.460 -0.186 0.000 1.012 201 Y HN 0.899 nan 8.280 nan 0.000 0.552 202 D N -1.075 119.411 120.400 0.144 0.000 2.263 202 D HA -0.195 4.428 4.640 -0.028 0.000 0.208 202 D C 2.023 178.371 176.300 0.081 0.000 0.971 202 D CA 1.218 55.279 54.000 0.102 0.000 0.867 202 D CB -0.637 40.202 40.800 0.065 0.000 0.929 202 D HN 0.234 nan 8.370 nan 0.000 0.492 203 S N -0.457 115.278 115.700 0.058 0.000 2.399 203 S HA -0.093 4.360 4.470 -0.028 0.000 0.231 203 S C 1.967 176.607 174.600 0.067 0.000 1.022 203 S CA 0.977 59.199 58.200 0.037 0.000 0.983 203 S CB -0.280 62.923 63.200 0.005 0.000 0.803 203 S HN 0.194 nan 8.310 nan 0.000 0.480 204 V N 1.148 121.131 119.914 0.115 0.000 2.346 204 V HA -0.046 4.057 4.120 -0.028 0.000 0.244 204 V C 2.479 178.674 176.094 0.169 0.000 1.037 204 V CA 1.437 63.833 62.300 0.160 0.000 1.029 204 V CB -0.530 31.443 31.823 0.251 0.000 0.663 204 V HN 0.409 nan 8.190 nan 0.000 0.454 205 V N -0.045 119.972 119.914 0.172 0.000 2.282 205 V HA -0.317 3.786 4.120 -0.028 0.000 0.249 205 V C 2.622 178.784 176.094 0.113 0.000 1.057 205 V CA 1.991 64.379 62.300 0.147 0.000 1.032 205 V CB -0.728 31.166 31.823 0.118 0.000 0.645 205 V HN 0.535 nan 8.190 nan 0.000 0.447 206 Q N -0.291 119.555 119.800 0.077 0.000 2.079 206 Q HA -0.191 4.132 4.340 -0.028 0.000 0.200 206 Q C 2.369 178.382 176.000 0.021 0.000 0.974 206 Q CA 1.774 57.596 55.803 0.032 0.000 0.840 206 Q CB -0.508 28.239 28.738 0.015 0.000 0.898 206 Q HN 0.672 nan 8.270 nan 0.000 0.430 207 R N 0.755 121.283 120.500 0.047 0.000 2.096 207 R HA -0.151 4.172 4.340 -0.028 0.000 0.240 207 R C 2.237 178.574 176.300 0.061 0.000 1.139 207 R CA 1.590 57.717 56.100 0.044 0.000 0.952 207 R CB -0.332 30.009 30.300 0.068 0.000 0.854 207 R HN 0.222 nan 8.270 nan 0.000 0.436 208 I N 0.590 121.236 120.570 0.126 0.000 2.394 208 I HA -0.168 3.985 4.170 -0.028 0.000 0.251 208 I C 2.506 178.715 176.117 0.153 0.000 1.136 208 I CA 1.097 62.511 61.300 0.190 0.000 1.425 208 I CB -0.421 37.746 38.000 0.278 0.000 1.079 208 I HN 0.340 nan 8.210 nan 0.000 0.425 209 A N 0.204 123.052 122.820 0.047 0.000 2.014 209 A HA -0.156 4.147 4.320 -0.028 0.000 0.218 209 A C 2.104 179.345 177.584 -0.572 0.000 1.163 209 A CA 1.069 53.004 52.037 -0.171 0.000 0.652 209 A CB -0.359 18.609 19.000 -0.053 0.000 0.808 209 A HN 0.492 nan 8.150 nan 0.000 0.449 210 Q N 0.020 119.629 119.800 -0.318 0.000 2.360 210 Q HA 0.020 4.343 4.340 -0.028 0.000 0.202 210 Q C 1.418 177.223 176.000 -0.325 0.000 0.915 210 Q CA 0.660 56.261 55.803 -0.336 0.000 0.943 210 Q CB 0.090 28.721 28.738 -0.177 0.000 1.064 210 Q HN 0.749 nan 8.270 nan 0.000 0.511 211 S N -0.039 115.503 115.700 -0.264 0.000 2.631 211 S HA 0.131 4.584 4.470 -0.028 0.000 0.217 211 S C 0.124 174.663 174.600 -0.102 0.000 0.958 211 S CA -0.538 57.610 58.200 -0.088 0.000 0.920 211 S CB -0.327 62.926 63.200 0.088 0.000 0.776 211 S HN 0.329 nan 8.310 nan 0.000 0.517 212 F N -2.423 117.309 119.950 -0.362 0.000 2.645 212 F HA 0.781 5.292 4.527 -0.027 0.000 0.310 212 F C -3.420 171.859 175.800 -0.869 0.000 1.102 212 F CA -3.104 54.417 58.000 -0.797 0.000 0.952 212 F CB -0.169 38.443 39.000 -0.646 0.000 1.326 212 F HN -0.302 nan 8.300 nan 0.000 0.456 213 P HA -0.051 nan 4.420 nan 0.000 0.257 213 P C 0.191 177.235 177.300 -0.427 0.000 1.153 213 P CA 0.543 63.167 63.100 -0.793 0.000 0.762 213 P CB 0.475 31.470 31.700 -1.175 0.000 0.743 214 Q N 2.586 122.212 119.800 -0.291 0.000 2.437 214 Q HA -0.101 4.222 4.340 -0.028 0.000 0.210 214 Q C 1.140 177.145 176.000 0.007 0.000 0.972 214 Q CA 1.044 56.743 55.803 -0.173 0.000 0.903 214 Q CB -0.299 28.345 28.738 -0.158 0.000 0.967 214 Q HN 0.620 nan 8.270 nan 0.000 0.486 215 N N -1.536 117.211 118.700 0.079 0.000 2.336 215 N HA -0.086 4.637 4.740 -0.028 0.000 0.189 215 N C 0.920 176.629 175.510 0.332 0.000 1.113 215 N CA 0.050 53.205 53.050 0.174 0.000 0.858 215 N CB -0.292 38.290 38.487 0.157 0.000 0.970 215 N HN 0.155 nan 8.380 nan 0.000 0.471 216 W N 0.987 122.346 121.300 0.098 0.000 2.476 216 W HA 0.259 4.903 4.660 -0.028 0.000 0.281 216 W C 0.487 177.060 176.519 0.090 0.000 1.230 216 W CA -0.262 57.145 57.345 0.103 0.000 1.287 216 W CB -0.579 28.992 29.460 0.185 0.000 1.108 216 W HN 0.011 nan 8.180 nan 0.000 0.567 217 L N 2.111 123.564 121.223 0.383 0.000 2.325 217 L HA 0.172 4.495 4.340 -0.028 0.000 0.284 217 L C 0.141 177.095 176.870 0.139 0.000 1.089 217 L CA 0.150 55.139 54.840 0.249 0.000 0.836 217 L CB 0.136 42.339 42.059 0.239 0.000 1.184 217 L HN -0.227 nan 8.230 nan 0.000 0.444 218 K N 6.340 126.795 120.400 0.091 0.000 2.527 218 K HA 0.394 4.697 4.320 -0.028 0.000 0.240 218 K C -0.870 175.760 176.600 0.049 0.000 0.989 218 K CA -0.542 55.786 56.287 0.067 0.000 0.985 218 K CB 0.536 33.070 32.500 0.057 0.000 1.221 218 K HN 0.641 nan 8.250 nan 0.000 0.458 219 L N 1.467 122.721 121.223 0.052 0.000 2.479 219 L HA 0.147 4.470 4.340 -0.028 0.000 0.248 219 L C 0.850 177.739 176.870 0.032 0.000 1.205 219 L CA -0.184 54.679 54.840 0.039 0.000 0.817 219 L CB 0.685 42.771 42.059 0.044 0.000 1.162 219 L HN 0.805 nan 8.230 nan 0.000 0.486 220 S N -1.130 114.583 115.700 0.022 0.000 3.521 220 S HA -0.196 4.257 4.470 -0.028 0.000 0.328 220 S C -0.181 174.432 174.600 0.020 0.000 1.165 220 S CA 0.814 59.030 58.200 0.026 0.000 0.941 220 S CB -1.487 61.738 63.200 0.041 0.000 0.951 220 S HN 0.742 nan 8.310 nan 0.000 0.539 221 c N 1.897 120.497 118.600 0.000 0.000 2.293 221 c HA 0.684 5.237 4.570 -0.028 0.000 0.323 221 c C 0.040 174.109 174.090 -0.035 0.000 1.240 221 c CA -0.723 55.612 56.329 0.009 0.000 1.497 221 c CB 0.636 43.168 42.510 0.038 0.000 2.171 221 c HN 0.576 nan 8.230 nan 0.000 0.465 222 E N 4.364 124.549 120.200 -0.025 0.000 2.167 222 E HA 0.470 4.804 4.350 -0.028 0.000 0.284 222 E C -0.752 175.834 176.600 -0.024 0.000 1.016 222 E CA -0.391 55.976 56.400 -0.056 0.000 0.817 222 E CB 1.218 30.928 29.700 0.016 0.000 1.080 222 E HN 0.712 nan 8.360 nan 0.000 0.397 223 V N 6.962 126.849 119.914 -0.045 0.000 2.427 223 V HA 0.016 4.120 4.120 -0.028 0.000 0.268 223 V C 1.091 177.158 176.094 -0.044 0.000 1.046 223 V CA 0.058 62.335 62.300 -0.038 0.000 0.970 223 V CB 0.756 32.545 31.823 -0.056 0.000 1.001 223 V HN 0.771 nan 8.190 nan 0.000 0.476 224 K N 3.459 123.836 120.400 -0.037 0.000 2.098 224 K HA 0.126 4.429 4.320 -0.028 0.000 0.203 224 K C 0.640 177.184 176.600 -0.094 0.000 1.051 224 K CA 0.680 56.941 56.287 -0.043 0.000 0.957 224 K CB 0.149 32.637 32.500 -0.021 0.000 0.738 224 K HN 0.647 nan 8.250 nan 0.000 0.447 225 S N 0.301 115.935 115.700 -0.111 0.000 2.556 225 S HA 0.620 5.073 4.470 -0.028 0.000 0.271 225 S C -0.821 173.668 174.600 -0.185 0.000 1.135 225 S CA -1.062 57.038 58.200 -0.167 0.000 0.858 225 S CB 1.587 64.728 63.200 -0.099 0.000 1.114 225 S HN 0.182 nan 8.310 nan 0.000 0.468 226 I N 1.913 122.319 120.570 -0.272 0.000 2.468 226 I HA 0.434 4.587 4.170 -0.028 0.000 0.285 226 I C -0.882 175.187 176.117 -0.081 0.000 1.039 226 I CA -0.370 60.816 61.300 -0.189 0.000 1.074 226 I CB 2.358 40.200 38.000 -0.264 0.000 1.228 226 I HN 0.734 nan 8.210 nan 0.000 0.436 227 T N 4.165 118.700 114.554 -0.031 0.000 2.841 227 T HA 0.454 4.787 4.350 -0.028 0.000 0.283 227 T C -0.385 174.316 174.700 0.003 0.000 1.000 227 T CA -0.780 61.321 62.100 0.002 0.000 0.977 227 T CB 1.921 70.784 68.868 -0.008 0.000 0.979 227 T HN 0.354 nan 8.240 nan 0.000 0.446 228 R N 2.822 123.333 120.500 0.017 0.000 2.207 228 R HA 0.272 4.595 4.340 -0.028 0.000 0.334 228 R C -0.270 176.022 176.300 -0.013 0.000 1.013 228 R CA -0.419 55.678 56.100 -0.004 0.000 0.858 228 R CB 0.152 30.455 30.300 0.006 0.000 1.094 228 R HN 0.453 nan 8.270 nan 0.000 0.457 229 E N 6.917 127.100 120.200 -0.029 0.000 2.290 229 E HA 0.080 4.413 4.350 -0.028 0.000 0.277 229 E C -1.674 174.907 176.600 -0.031 0.000 1.035 229 E CA -1.965 54.417 56.400 -0.029 0.000 0.873 229 E CB 0.878 30.556 29.700 -0.036 0.000 1.029 229 E HN 0.524 nan 8.360 nan 0.000 0.419 230 P HA -0.179 nan 4.420 nan 0.000 0.222 230 P C 0.820 178.102 177.300 -0.031 0.000 1.142 230 P CA 1.100 64.186 63.100 -0.023 0.000 0.788 230 P CB 0.227 31.918 31.700 -0.016 0.000 0.767 231 S N -1.869 113.809 115.700 -0.036 0.000 2.803 231 S HA 0.322 4.775 4.470 -0.028 0.000 0.228 231 S C 1.061 175.626 174.600 -0.059 0.000 0.953 231 S CA 0.566 58.741 58.200 -0.042 0.000 0.983 231 S CB -1.161 62.016 63.200 -0.038 0.000 0.784 231 S HN 0.308 nan 8.310 nan 0.000 0.498 232 K N -0.867 119.493 120.400 -0.067 0.000 3.291 232 K HA -0.197 4.106 4.320 -0.028 0.000 0.290 232 K C -0.411 176.107 176.600 -0.136 0.000 1.235 232 K CA 1.373 57.600 56.287 -0.099 0.000 0.848 232 K CB -3.047 nan 32.500 nan 0.000 1.295 232 K HN 0.847 nan 8.250 nan 0.000 0.497 233 N N -1.665 116.970 118.700 -0.109 0.000 2.262 233 N HA 0.729 5.452 4.740 -0.028 0.000 0.295 233 N C -0.831 174.624 175.510 -0.092 0.000 1.161 233 N CA -0.494 52.484 53.050 -0.120 0.000 0.767 233 N CB 2.638 41.070 38.487 -0.093 0.000 1.499 233 N HN 0.132 nan 8.380 nan 0.000 0.476 234 V N 0.865 120.722 119.914 -0.095 0.000 2.417 234 V HA 0.483 4.587 4.120 -0.028 0.000 0.291 234 V C -0.259 175.811 176.094 -0.040 0.000 1.024 234 V CA -0.479 61.784 62.300 -0.062 0.000 0.861 234 V CB 1.475 33.258 31.823 -0.067 0.000 0.985 234 V HN 0.656 nan 8.190 nan 0.000 0.436 235 T N 4.503 119.042 114.554 -0.025 0.000 2.771 235 T HA 0.612 4.945 4.350 -0.028 0.000 0.281 235 T C -0.321 174.375 174.700 -0.006 0.000 0.982 235 T CA -0.302 61.793 62.100 -0.008 0.000 0.978 235 T CB 1.513 70.373 68.868 -0.013 0.000 0.930 235 T HN 0.386 nan 8.240 nan 0.000 0.447 236 V N 4.718 124.650 119.914 0.030 0.000 2.555 236 V HA 0.500 4.603 4.120 -0.028 0.000 0.302 236 V C -0.314 175.827 176.094 0.077 0.000 1.038 236 V CA -1.057 61.260 62.300 0.028 0.000 0.887 236 V CB 1.904 33.739 31.823 0.019 0.000 0.991 236 V HN 0.800 nan 8.190 nan 0.000 0.434 237 N N 1.970 120.687 118.700 0.028 0.000 2.372 237 N HA 0.442 5.165 4.740 -0.028 0.000 0.285 237 N C -0.883 174.648 175.510 0.035 0.000 1.008 237 N CA -0.338 52.729 53.050 0.029 0.000 0.880 237 N CB 2.012 40.492 38.487 -0.011 0.000 1.239 237 N HN 0.561 nan 8.380 nan 0.000 0.484 238 c N 0.838 119.476 118.600 0.064 0.000 2.443 238 c HA 0.079 4.632 4.570 -0.028 0.000 0.369 238 c C 2.245 176.349 174.090 0.024 0.000 1.241 238 c CA -0.405 55.957 56.329 0.055 0.000 2.413 238 c CB 0.553 43.120 42.510 0.096 0.000 2.451 238 c HN 0.843 nan 8.230 nan 0.000 0.595 239 E N 1.250 121.463 120.200 0.022 0.000 2.110 239 E HA -0.246 4.087 4.350 -0.028 0.000 0.193 239 E C 1.070 177.679 176.600 0.015 0.000 0.988 239 E CA 2.180 58.591 56.400 0.019 0.000 0.804 239 E CB -0.367 29.352 29.700 0.031 0.000 0.745 239 E HN 0.807 nan 8.360 nan 0.000 0.458 240 D N -0.485 119.927 120.400 0.020 0.000 2.403 240 D HA -0.015 4.609 4.640 -0.028 0.000 0.227 240 D C 1.470 177.769 176.300 -0.002 0.000 0.995 240 D CA 1.084 55.092 54.000 0.013 0.000 0.928 240 D CB 0.148 40.960 40.800 0.020 0.000 0.887 240 D HN 0.469 nan 8.370 nan 0.000 0.529 241 G N -0.318 108.477 108.800 -0.008 0.000 2.308 241 G HA2 -0.299 3.644 3.960 -0.028 0.000 0.221 241 G HA3 -0.299 3.644 3.960 -0.028 0.000 0.221 241 G C 0.615 175.480 174.900 -0.058 0.000 1.032 241 G CA 0.293 45.376 45.100 -0.028 0.000 0.623 241 G HN 0.946 nan 8.290 nan 0.000 0.506 242 T N -0.224 114.285 114.554 -0.074 0.000 2.939 242 T HA 0.418 4.752 4.350 -0.028 0.000 0.312 242 T C 0.175 174.736 174.700 -0.230 0.000 1.064 242 T CA 0.545 62.534 62.100 -0.185 0.000 1.136 242 T CB 1.727 70.470 68.868 -0.209 0.000 1.035 242 T HN 1.168 nan 8.240 nan 0.000 0.538 243 V N 3.914 123.610 119.914 -0.363 0.000 2.735 243 V HA 0.604 4.707 4.120 -0.028 0.000 0.310 243 V C -1.082 174.760 176.094 -0.419 0.000 1.061 243 V CA -1.036 61.111 62.300 -0.255 0.000 0.913 243 V CB 1.668 33.412 31.823 -0.132 0.000 1.005 243 V HN 0.966 nan 8.190 nan 0.000 0.428 244 Y N 1.906 122.179 120.300 -0.044 0.000 2.512 244 Y HA 0.497 5.030 4.550 -0.028 0.000 0.348 244 Y C 0.133 175.999 175.900 -0.057 0.000 0.990 244 Y CA -0.734 57.336 58.100 -0.050 0.000 1.033 244 Y CB 1.947 40.373 38.460 -0.058 0.000 1.259 244 Y HN 0.575 nan 8.280 nan 0.000 0.461 245 N N 1.444 120.213 118.700 0.115 0.000 2.314 245 N HA 0.802 5.525 4.740 -0.028 0.000 0.304 245 N C -1.728 173.787 175.510 0.009 0.000 1.073 245 N CA -0.190 52.878 53.050 0.030 0.000 0.822 245 N CB 1.880 40.366 38.487 -0.002 0.000 1.280 245 N HN 0.859 nan 8.380 nan 0.000 0.489 246 A N 2.331 125.129 122.820 -0.036 0.000 2.574 246 A HA 0.317 4.620 4.320 -0.028 0.000 0.297 246 A C 0.120 177.635 177.584 -0.115 0.000 1.062 246 A CA -0.619 51.377 52.037 -0.068 0.000 0.686 246 A CB 1.148 20.101 19.000 -0.079 0.000 1.285 246 A HN 0.700 nan 8.150 nan 0.000 0.403 247 D N -0.028 120.290 120.400 -0.136 0.000 2.117 247 D HA -0.022 4.601 4.640 -0.028 0.000 0.198 247 D C -0.292 175.691 176.300 -0.528 0.000 0.982 247 D CA 2.251 56.068 54.000 -0.306 0.000 0.828 247 D CB 0.031 40.688 40.800 -0.237 0.000 0.967 247 D HN 0.575 nan 8.370 nan 0.000 0.464 248 Y N -0.997 119.243 120.300 -0.101 0.000 2.576 248 Y HA 0.408 4.941 4.550 -0.028 0.000 0.346 248 Y C -0.059 175.766 175.900 -0.125 0.000 1.018 248 Y CA -1.302 56.732 58.100 -0.110 0.000 1.050 248 Y CB 2.264 40.654 38.460 -0.116 0.000 1.280 248 Y HN -0.298 nan 8.280 nan 0.000 0.474 249 V N -0.047 119.887 119.914 0.034 0.000 2.808 249 V HA 0.665 4.768 4.120 -0.028 0.000 0.308 249 V C -1.191 174.853 176.094 -0.084 0.000 1.099 249 V CA -1.043 61.229 62.300 -0.046 0.000 0.920 249 V CB 1.861 33.648 31.823 -0.060 0.000 1.014 249 V HN 0.687 nan 8.190 nan 0.000 0.425 250 I N 5.247 125.762 120.570 -0.092 0.000 2.359 250 I HA 0.464 4.617 4.170 -0.028 0.000 0.284 250 I C -0.299 175.787 176.117 -0.052 0.000 1.018 250 I CA -0.380 60.858 61.300 -0.104 0.000 1.173 250 I CB 1.478 39.423 38.000 -0.091 0.000 1.326 250 I HN 0.522 nan 8.210 nan 0.000 0.462 251 I N 5.917 126.459 120.570 -0.047 0.000 2.352 251 I HA 0.116 4.269 4.170 -0.028 0.000 0.290 251 I C 1.004 177.278 176.117 0.262 0.000 1.036 251 I CA 0.148 61.538 61.300 0.149 0.000 1.336 251 I CB 1.124 39.311 38.000 0.312 0.000 1.407 251 I HN 0.635 nan 8.210 nan 0.000 0.497 252 T N 2.688 117.364 114.554 0.204 0.000 3.296 252 T HA 0.220 4.553 4.350 -0.028 0.000 0.285 252 T C 0.160 175.000 174.700 0.233 0.000 1.014 252 T CA -0.479 61.749 62.100 0.213 0.000 0.920 252 T CB -0.470 68.472 68.868 0.123 0.000 1.143 252 T HN 0.335 nan 8.240 nan 0.000 0.522 253 V N -0.765 119.296 119.914 0.245 0.000 3.096 253 V HA 0.513 4.616 4.120 -0.028 0.000 0.306 253 V C -2.604 173.596 176.094 0.176 0.000 1.088 253 V CA -2.120 60.292 62.300 0.186 0.000 1.129 253 V CB -0.153 31.774 31.823 0.173 0.000 1.014 253 V HN 0.065 nan 8.190 nan 0.000 0.486 254 P HA 0.066 nan 4.420 nan 0.000 0.268 254 P C 0.679 177.863 177.300 -0.194 0.000 1.208 254 P CA 0.136 63.234 63.100 -0.004 0.000 0.777 254 P CB 0.382 32.118 31.700 0.060 0.000 0.875 255 Q N 1.892 121.421 119.800 -0.451 0.000 2.112 255 Q HA -0.243 4.081 4.340 -0.028 0.000 0.206 255 Q C 1.704 177.585 176.000 -0.199 0.000 0.987 255 Q CA 2.572 58.160 55.803 -0.358 0.000 0.858 255 Q CB -0.288 28.356 28.738 -0.156 0.000 0.905 255 Q HN 0.596 nan 8.270 nan 0.000 0.420 256 S N -0.660 114.710 115.700 -0.551 0.000 2.348 256 S HA -0.136 4.317 4.470 -0.028 0.000 0.221 256 S C 1.984 176.386 174.600 -0.331 0.000 1.033 256 S CA 1.471 59.287 58.200 -0.639 0.000 1.010 256 S CB -0.859 61.682 63.200 -1.098 0.000 0.891 256 S HN 0.269 nan 8.310 nan 0.000 0.442 257 V N 1.941 121.733 119.914 -0.203 0.000 2.407 257 V HA -0.081 4.023 4.120 -0.028 0.000 0.248 257 V C 2.446 178.532 176.094 -0.014 0.000 1.055 257 V CA 1.581 63.844 62.300 -0.061 0.000 1.049 257 V CB -0.971 30.876 31.823 0.040 0.000 0.662 257 V HN 0.399 nan 8.190 nan 0.000 0.455 258 L N 0.781 122.016 121.223 0.021 0.000 2.201 258 L HA -0.061 4.262 4.340 -0.028 0.000 0.212 258 L C 2.153 179.015 176.870 -0.013 0.000 1.105 258 L CA 1.664 56.588 54.840 0.141 0.000 0.775 258 L CB -1.022 41.178 42.059 0.236 0.000 0.913 258 L HN 0.300 nan 8.230 nan 0.000 0.440 259 N N -0.058 118.431 118.700 -0.351 0.000 2.289 259 N HA -0.152 4.571 4.740 -0.028 0.000 0.184 259 N C 1.718 176.951 175.510 -0.462 0.000 1.016 259 N CA 1.072 53.558 53.050 -0.940 0.000 0.872 259 N CB -0.103 37.789 38.487 -0.990 0.000 0.973 259 N HN 0.449 nan 8.380 nan 0.000 0.433 260 L N 0.171 121.257 121.223 -0.228 0.000 2.450 260 L HA -0.067 4.256 4.340 -0.028 0.000 0.224 260 L C 1.877 178.719 176.870 -0.047 0.000 1.149 260 L CA 0.446 55.214 54.840 -0.120 0.000 0.816 260 L CB -0.221 41.804 42.059 -0.056 0.000 0.932 260 L HN 0.063 nan 8.230 nan 0.000 0.449 261 S N -0.243 115.456 115.700 -0.001 0.000 2.461 261 S HA -0.056 4.397 4.470 -0.028 0.000 0.228 261 S C 1.564 176.203 174.600 0.066 0.000 1.005 261 S CA 0.851 59.125 58.200 0.124 0.000 0.942 261 S CB 0.054 63.464 63.200 0.349 0.000 0.776 261 S HN 0.429 nan 8.310 nan 0.000 0.514 262 V N 0.004 119.897 119.914 -0.036 0.000 3.416 262 V HA 0.348 4.451 4.120 -0.028 0.000 0.334 262 V C -0.145 175.926 176.094 -0.038 0.000 1.271 262 V CA -0.040 62.242 62.300 -0.029 0.000 1.274 262 V CB -1.133 30.648 31.823 -0.070 0.000 1.153 262 V HN 0.251 nan 8.190 nan 0.000 0.433 263 Q N 0.749 120.534 119.800 -0.025 0.000 2.553 263 Q HA 0.564 4.888 4.340 -0.028 0.000 0.293 263 Q C -2.650 173.347 176.000 -0.004 0.000 1.038 263 Q CA -1.715 54.074 55.803 -0.025 0.000 0.777 263 Q CB 2.580 31.289 28.738 -0.050 0.000 1.487 263 Q HN 0.230 nan 8.270 nan 0.000 0.426 264 P HA 0.053 nan 4.420 nan 0.000 0.307 264 P C -0.955 176.343 177.300 -0.002 0.000 1.306 264 P CA -0.118 62.983 63.100 0.001 0.000 0.742 264 P CB 0.317 32.016 31.700 -0.001 0.000 1.349 265 E N -2.324 117.876 120.200 -0.001 0.000 5.642 265 E HA -0.133 4.200 4.350 -0.028 0.000 0.186 265 E C -0.083 176.517 176.600 0.001 0.000 1.588 265 E CA 1.108 57.506 56.400 -0.002 0.000 1.263 265 E CB -1.659 28.037 29.700 -0.008 0.000 1.005 265 E HN 0.567 nan 8.360 nan 0.000 0.322 266 K N 4.005 124.407 120.400 0.003 0.000 2.469 266 K HA 0.171 4.474 4.320 -0.028 0.000 0.201 266 K C 0.855 177.458 176.600 0.005 0.000 1.028 266 K CA 0.591 56.881 56.287 0.005 0.000 1.170 266 K CB -0.263 32.239 32.500 0.003 0.000 0.874 266 K HN 0.591 nan 8.250 nan 0.000 0.507 267 N N 0.513 119.215 118.700 0.003 0.000 2.458 267 N HA 0.229 4.952 4.740 -0.028 0.000 0.274 267 N C -0.979 174.532 175.510 0.002 0.000 1.242 267 N CA -0.183 52.869 53.050 0.004 0.000 0.904 267 N CB 0.098 38.585 38.487 0.000 0.000 1.206 267 N HN 0.260 nan 8.380 nan 0.000 0.510 268 L N 1.861 123.087 121.223 0.004 0.000 2.262 268 L HA 0.403 4.726 4.340 -0.028 0.000 0.288 268 L C 0.377 177.257 176.870 0.017 0.000 1.035 268 L CA -0.895 53.943 54.840 -0.003 0.000 0.820 268 L CB 1.067 43.120 42.059 -0.011 0.000 1.204 268 L HN 0.123 nan 8.230 nan 0.000 0.424 269 R N 1.937 122.440 120.500 0.005 0.000 2.474 269 R HA 0.060 4.383 4.340 -0.028 0.000 0.290 269 R C 1.204 177.589 176.300 0.142 0.000 0.918 269 R CA 1.809 57.935 56.100 0.042 0.000 1.130 269 R CB -0.025 30.199 30.300 -0.126 0.000 0.881 269 R HN 0.901 nan 8.270 nan 0.000 0.416 270 G N 2.692 111.688 108.800 0.325 0.000 2.420 270 G HA2 -0.374 3.570 3.960 -0.028 0.000 0.221 270 G HA3 -0.374 3.570 3.960 -0.028 0.000 0.221 270 G C 0.225 175.205 174.900 0.133 0.000 1.117 270 G CA 0.189 45.475 45.100 0.310 0.000 0.657 270 G HN 0.718 nan 8.290 nan 0.000 0.512 271 R N 1.207 121.759 120.500 0.087 0.000 2.638 271 R HA 0.364 4.687 4.340 -0.028 0.000 0.268 271 R C -0.131 176.180 176.300 0.019 0.000 1.006 271 R CA 0.458 56.590 56.100 0.052 0.000 1.088 271 R CB -0.086 30.233 30.300 0.031 0.000 0.950 271 R HN 0.389 nan 8.270 nan 0.000 0.419 272 I N 2.865 123.436 120.570 0.002 0.000 2.433 272 I HA 0.166 4.320 4.170 -0.028 0.000 0.292 272 I C -0.440 175.565 176.117 -0.186 0.000 1.001 272 I CA -0.892 60.309 61.300 -0.166 0.000 1.119 272 I CB 1.952 39.729 38.000 -0.371 0.000 1.289 272 I HN 0.593 nan 8.210 nan 0.000 0.438 273 E N 5.811 125.891 120.200 -0.200 0.000 2.130 273 E HA 0.330 4.663 4.350 -0.028 0.000 0.284 273 E C -1.566 174.924 176.600 -0.184 0.000 1.018 273 E CA -0.111 56.234 56.400 -0.090 0.000 0.817 273 E CB 0.394 30.065 29.700 -0.048 0.000 1.078 273 E HN 0.222 nan 8.360 nan 0.000 0.396 274 F N 3.740 123.719 119.950 0.049 0.000 2.410 274 F HA 0.354 4.864 4.527 -0.028 0.000 0.349 274 F C 0.353 176.177 175.800 0.040 0.000 1.117 274 F CA -0.426 57.607 58.000 0.055 0.000 1.104 274 F CB 1.277 40.328 39.000 0.085 0.000 1.122 274 F HN 0.235 nan 8.300 nan 0.000 0.483 275 Q N 5.535 125.446 119.800 0.185 0.000 2.303 275 Q HA 0.333 4.656 4.340 -0.028 0.000 0.267 275 Q C -2.575 173.486 176.000 0.103 0.000 1.011 275 Q CA -2.235 53.637 55.803 0.116 0.000 0.740 275 Q CB 2.235 31.007 28.738 0.056 0.000 1.250 275 Q HN 0.291 nan 8.270 nan 0.000 0.458 276 P HA 0.205 nan 4.420 nan 0.000 0.272 276 P C -2.482 174.902 177.300 0.139 0.000 1.240 276 P CA -1.277 61.877 63.100 0.090 0.000 0.791 276 P CB 0.017 31.752 31.700 0.058 0.000 0.978 277 P HA 0.065 nan 4.420 nan 0.000 0.269 277 P C 0.295 177.636 177.300 0.068 0.000 1.209 277 P CA 0.045 63.231 63.100 0.144 0.000 0.776 277 P CB 0.515 32.277 31.700 0.103 0.000 0.876 278 L N 1.629 122.846 121.223 -0.011 0.000 2.667 278 L HA -0.105 4.218 4.340 -0.028 0.000 0.296 278 L C 1.455 178.301 176.870 -0.039 0.000 1.252 278 L CA 0.652 55.422 54.840 -0.117 0.000 0.891 278 L CB -0.511 41.422 42.059 -0.210 0.000 1.141 278 L HN 0.393 nan 8.230 nan 0.000 0.501 279 K N 5.143 125.520 120.400 -0.037 0.000 2.485 279 K HA -0.008 4.295 4.320 -0.028 0.000 0.277 279 K C -1.244 175.341 176.600 -0.025 0.000 0.990 279 K CA -1.016 55.259 56.287 -0.020 0.000 0.994 279 K CB 0.328 32.818 32.500 -0.017 0.000 0.906 279 K HN 0.440 nan 8.250 nan 0.000 0.488 280 P HA -0.159 nan 4.420 nan 0.000 0.223 280 P C 1.180 178.466 177.300 -0.023 0.000 1.144 280 P CA 1.096 64.192 63.100 -0.007 0.000 0.783 280 P CB -0.015 31.685 31.700 -0.000 0.000 0.771 281 V N -3.631 116.260 119.914 -0.038 0.000 2.719 281 V HA -0.083 4.020 4.120 -0.028 0.000 0.252 281 V C 2.247 178.278 176.094 -0.105 0.000 1.065 281 V CA 0.867 63.134 62.300 -0.056 0.000 1.086 281 V CB -1.157 30.637 31.823 -0.049 0.000 0.700 281 V HN -0.067 nan 8.190 nan 0.000 0.467 282 I N 1.154 121.647 120.570 -0.128 0.000 2.188 282 I HA -0.169 3.985 4.170 -0.028 0.000 0.237 282 I C 3.029 178.984 176.117 -0.270 0.000 1.073 282 I CA 1.783 62.933 61.300 -0.250 0.000 1.359 282 I CB -0.490 37.354 38.000 -0.259 0.000 1.083 282 I HN 0.361 nan 8.210 nan 0.000 0.412 283 Q N 0.763 120.543 119.800 -0.035 0.000 2.152 283 Q HA -0.272 4.051 4.340 -0.028 0.000 0.206 283 Q C 1.257 177.365 176.000 0.181 0.000 0.985 283 Q CA 2.066 58.022 55.803 0.254 0.000 0.863 283 Q CB -0.607 28.232 28.738 0.169 0.000 0.904 283 Q HN 0.436 nan 8.270 nan 0.000 0.422 284 D N 0.976 121.394 120.400 0.030 0.000 2.312 284 D HA -0.003 4.620 4.640 -0.028 0.000 0.211 284 D C 1.718 178.001 176.300 -0.029 0.000 0.964 284 D CA 1.136 55.145 54.000 0.015 0.000 0.877 284 D CB -0.089 40.709 40.800 -0.003 0.000 0.924 284 D HN 0.435 nan 8.370 nan 0.000 0.515 285 A N -0.340 122.402 122.820 -0.131 0.000 2.014 285 A HA -0.068 4.235 4.320 -0.028 0.000 0.218 285 A C 1.827 179.307 177.584 -0.174 0.000 1.163 285 A CA 0.496 52.420 52.037 -0.188 0.000 0.652 285 A CB -0.881 17.937 19.000 -0.304 0.000 0.808 285 A HN 0.210 nan 8.150 nan 0.000 0.449 286 F N 0.803 120.679 119.950 -0.123 0.000 2.202 286 F HA -0.231 4.279 4.527 -0.028 0.000 0.301 286 F C 2.022 177.676 175.800 -0.244 0.000 1.082 286 F CA 1.206 59.100 58.000 -0.176 0.000 1.313 286 F CB -0.053 38.853 39.000 -0.156 0.000 1.024 286 F HN 0.268 nan 8.300 nan 0.000 0.495 287 D N 0.111 120.528 120.400 0.028 0.000 2.117 287 D HA -0.136 4.487 4.640 -0.028 0.000 0.198 287 D C 1.746 178.043 176.300 -0.005 0.000 0.982 287 D CA 1.133 55.127 54.000 -0.010 0.000 0.828 287 D CB -0.375 40.452 40.800 0.045 0.000 0.967 287 D HN 0.295 nan 8.370 nan 0.000 0.464 288 K N -0.329 120.069 120.400 -0.002 0.000 2.487 288 K HA 0.105 4.408 4.320 -0.028 0.000 0.192 288 K C 0.247 176.870 176.600 0.039 0.000 1.027 288 K CA -0.147 56.167 56.287 0.045 0.000 1.054 288 K CB 0.657 33.168 32.500 0.019 0.000 0.824 288 K HN 0.085 nan 8.250 nan 0.000 0.510 289 I N -0.589 119.939 120.570 -0.071 0.000 2.769 289 I HA 0.260 4.413 4.170 -0.028 0.000 0.298 289 I C -1.100 174.851 176.117 -0.276 0.000 1.128 289 I CA -0.702 60.570 61.300 -0.047 0.000 1.031 289 I CB 1.619 39.597 38.000 -0.037 0.000 1.235 289 I HN -0.048 nan 8.210 nan 0.000 0.423 290 H N 4.233 123.134 119.070 -0.282 0.000 3.048 290 H HA 0.619 5.158 4.556 -0.028 0.000 0.296 290 H C -1.677 173.574 175.328 -0.128 0.000 1.508 290 H CA -0.414 55.382 56.048 -0.419 0.000 1.250 290 H CB 1.088 29.978 29.762 -1.453 0.000 1.896 290 H HN 0.424 nan 8.280 nan 0.000 0.604 291 F N 0.152 120.031 119.950 -0.119 0.000 2.480 291 F HA 0.608 5.118 4.527 -0.028 0.000 0.329 291 F C 0.734 176.583 175.800 0.080 0.000 1.091 291 F CA -0.262 57.732 58.000 -0.010 0.000 0.972 291 F CB 1.565 40.568 39.000 0.005 0.000 1.150 291 F HN 0.572 nan 8.300 nan 0.000 0.467 292 G N 0.986 109.669 108.800 -0.195 0.000 2.552 292 G HA2 0.617 4.560 3.960 -0.028 0.000 0.318 292 G HA3 0.617 4.560 3.960 -0.028 0.000 0.318 292 G C -1.580 173.236 174.900 -0.139 0.000 1.240 292 G CA -0.568 44.462 45.100 -0.118 0.000 1.002 292 G HN 0.916 nan 8.290 nan 0.000 0.493 293 A N 0.196 122.979 122.820 -0.061 0.000 3.216 293 A HA 0.505 4.808 4.320 -0.028 0.000 0.321 293 A C -0.595 177.009 177.584 0.034 0.000 1.042 293 A CA -0.421 51.628 52.037 0.020 0.000 0.838 293 A CB 0.262 19.337 19.000 0.126 0.000 1.136 293 A HN 0.649 nan 8.150 nan 0.000 0.483 294 L N 1.631 122.823 121.223 -0.051 0.000 2.410 294 L HA 0.643 4.966 4.340 -0.028 0.000 0.273 294 L C 0.564 177.557 176.870 0.204 0.000 1.152 294 L CA 0.615 55.527 54.840 0.120 0.000 0.855 294 L CB 0.907 43.103 42.059 0.228 0.000 1.129 294 L HN 0.506 nan 8.230 nan 0.000 0.463 295 G N 4.273 113.201 108.800 0.213 0.000 2.533 295 G HA2 0.677 4.620 3.960 -0.028 0.000 0.304 295 G HA3 0.677 4.620 3.960 -0.028 0.000 0.304 295 G C -1.450 173.547 174.900 0.161 0.000 1.263 295 G CA -0.756 44.469 45.100 0.209 0.000 0.964 295 G HN 0.569 nan 8.290 nan 0.000 0.479 296 K N -0.276 120.189 120.400 0.109 0.000 2.426 296 K HA 0.666 4.970 4.320 -0.028 0.000 0.251 296 K C -1.502 175.022 176.600 -0.127 0.000 0.941 296 K CA -0.881 55.412 56.287 0.010 0.000 0.808 296 K CB 3.206 35.739 32.500 0.056 0.000 1.265 296 K HN 0.244 nan 8.250 nan 0.000 0.432 297 V N 3.378 123.130 119.914 -0.271 0.000 2.488 297 V HA 0.290 4.393 4.120 -0.028 0.000 0.293 297 V C -0.742 174.978 176.094 -0.624 0.000 1.027 297 V CA -0.907 61.081 62.300 -0.520 0.000 0.862 297 V CB 1.378 32.728 31.823 -0.788 0.000 1.008 297 V HN 0.646 nan 8.190 nan 0.000 0.428 298 I N 4.866 125.094 120.570 -0.571 0.000 2.325 298 I HA 0.390 4.544 4.170 -0.028 0.000 0.291 298 I C -0.360 175.421 176.117 -0.559 0.000 1.019 298 I CA -0.285 60.699 61.300 -0.527 0.000 1.302 298 I CB 0.606 38.194 38.000 -0.687 0.000 1.401 298 I HN 0.426 nan 8.210 nan 0.000 0.485 299 F N 4.849 124.709 119.950 -0.150 0.000 2.293 299 F HA 0.306 4.815 4.527 -0.030 0.000 0.370 299 F C 0.868 176.578 175.800 -0.149 0.000 1.090 299 F CA -0.610 57.291 58.000 -0.164 0.000 1.133 299 F CB 0.610 39.581 39.000 -0.047 0.000 1.360 299 F HN 0.406 nan 8.300 nan 0.000 0.489 300 E N 3.764 123.914 120.200 -0.083 0.000 2.194 300 E HA 0.301 4.634 4.350 -0.028 0.000 0.284 300 E C -0.880 175.651 176.600 -0.115 0.000 1.035 300 E CA -0.277 56.151 56.400 0.047 0.000 0.836 300 E CB 1.050 30.814 29.700 0.108 0.000 1.070 300 E HN 0.333 nan 8.360 nan 0.000 0.401 301 F N 1.066 121.202 119.950 0.309 0.000 2.497 301 F HA 0.152 4.660 4.527 -0.032 0.000 0.331 301 F C 1.636 177.545 175.800 0.181 0.000 1.060 301 F CA -0.719 57.442 58.000 0.267 0.000 0.989 301 F CB 1.175 40.483 39.000 0.514 0.000 1.245 301 F HN 0.414 nan 8.300 nan 0.000 0.486 302 E N 0.852 121.228 120.200 0.293 0.000 2.015 302 E HA -0.124 4.209 4.350 -0.028 0.000 0.191 302 E C -0.154 176.563 176.600 0.196 0.000 0.991 302 E CA 1.425 57.961 56.400 0.226 0.000 0.802 302 E CB 0.043 29.833 29.700 0.149 0.000 0.759 302 E HN 0.669 nan 8.360 nan 0.000 0.447 303 E N -1.845 118.422 120.200 0.112 0.000 2.359 303 E HA 0.384 4.717 4.350 -0.028 0.000 0.266 303 E C -0.945 175.496 176.600 -0.266 0.000 0.920 303 E CA -0.800 55.582 56.400 -0.031 0.000 0.788 303 E CB 1.280 30.959 29.700 -0.036 0.000 1.279 303 E HN 0.055 nan 8.360 nan 0.000 0.438 304 C N 2.007 121.063 119.300 -0.407 0.000 2.645 304 C HA 0.208 4.651 4.460 -0.028 0.000 0.451 304 C C 0.878 175.395 174.990 -0.788 0.000 1.018 304 C CA -1.038 57.462 59.018 -0.862 0.000 1.180 304 C CB -2.218 25.171 27.740 -0.585 0.000 1.563 304 C HN 0.628 nan 8.230 nan 0.000 0.551 305 C N 1.304 120.172 119.300 -0.720 0.000 2.582 305 C HA 0.712 5.155 4.460 -0.028 0.000 0.477 305 C C -0.353 174.591 174.990 -0.077 0.000 1.221 305 C CA -0.935 57.906 59.018 -0.295 0.000 1.572 305 C CB -2.195 25.488 27.740 -0.095 0.000 1.866 305 C HN 0.926 nan 8.230 nan 0.000 0.594 306 W N -0.440 120.839 121.300 -0.034 0.000 3.059 306 W HA 0.605 5.251 4.660 -0.023 0.000 0.329 306 W C -0.828 175.683 176.519 -0.014 0.000 1.246 306 W CA -1.139 56.189 57.345 -0.029 0.000 1.190 306 W CB 0.112 29.555 29.460 -0.028 0.000 1.423 306 W HN 0.137 nan 8.180 nan 0.000 0.571 307 S N 1.630 117.524 115.700 0.323 0.000 2.516 307 S HA 0.154 4.607 4.470 -0.028 0.000 0.282 307 S C 0.012 174.769 174.600 0.262 0.000 1.286 307 S CA -0.073 58.250 58.200 0.206 0.000 1.066 307 S CB -0.052 63.226 63.200 0.130 0.000 0.884 307 S HN 0.458 nan 8.310 nan 0.000 0.491 308 N N 4.102 122.898 118.700 0.161 0.000 2.920 308 N HA 0.069 4.792 4.740 -0.028 0.000 0.310 308 N C 0.992 176.549 175.510 0.079 0.000 1.384 308 N CA -0.073 53.057 53.050 0.134 0.000 1.083 308 N CB 0.591 39.126 38.487 0.079 0.000 1.389 308 N HN 0.832 nan 8.380 nan 0.000 0.521 309 E N -0.289 119.958 120.200 0.078 0.000 2.153 309 E HA -0.077 4.256 4.350 -0.028 0.000 0.194 309 E C 0.179 176.805 176.600 0.044 0.000 0.988 309 E CA 0.612 57.045 56.400 0.055 0.000 0.811 309 E CB 0.408 30.141 29.700 0.056 0.000 0.746 309 E HN 0.166 nan 8.360 nan 0.000 0.466 310 S N -2.349 113.375 115.700 0.041 0.000 2.752 310 S HA 0.303 4.756 4.470 -0.028 0.000 0.284 310 S C -0.118 174.481 174.600 -0.001 0.000 1.189 310 S CA -0.113 58.100 58.200 0.022 0.000 0.835 310 S CB 1.436 64.647 63.200 0.018 0.000 1.192 310 S HN 0.142 nan 8.310 nan 0.000 0.506 311 S N -0.028 115.655 115.700 -0.029 0.000 2.649 311 S HA 0.436 4.890 4.470 -0.028 0.000 0.246 311 S C -0.514 174.015 174.600 -0.119 0.000 1.057 311 S CA -0.429 57.727 58.200 -0.073 0.000 1.051 311 S CB 0.064 63.224 63.200 -0.066 0.000 1.018 311 S HN 0.418 nan 8.310 nan 0.000 0.569 312 K N 1.932 122.243 120.400 -0.149 0.000 2.339 312 K HA 0.590 4.893 4.320 -0.028 0.000 0.264 312 K C -1.235 175.183 176.600 -0.302 0.000 0.986 312 K CA -0.205 55.893 56.287 -0.315 0.000 0.866 312 K CB 1.522 33.606 32.500 -0.693 0.000 1.103 312 K HN 0.353 nan 8.250 nan 0.000 0.441 313 I N 2.505 122.989 120.570 -0.143 0.000 2.466 313 I HA 0.335 4.488 4.170 -0.028 0.000 0.289 313 I C -0.642 175.558 176.117 0.138 0.000 1.026 313 I CA -1.196 60.079 61.300 -0.042 0.000 1.078 313 I CB 2.223 40.238 38.000 0.025 0.000 1.249 313 I HN 0.033 nan 8.210 nan 0.000 0.429 314 V N 3.978 123.944 119.914 0.085 0.000 2.540 314 V HA 0.436 4.540 4.120 -0.028 0.000 0.302 314 V C 0.056 176.335 176.094 0.309 0.000 1.035 314 V CA -0.581 61.903 62.300 0.306 0.000 0.873 314 V CB 2.323 34.341 31.823 0.324 0.000 0.992 314 V HN 0.825 nan 8.190 nan 0.000 0.428 315 T N 3.782 118.551 114.554 0.358 0.000 2.744 315 T HA 0.694 5.027 4.350 -0.028 0.000 0.291 315 T C -0.354 174.573 174.700 0.379 0.000 0.957 315 T CA -0.529 61.769 62.100 0.329 0.000 1.002 315 T CB 0.523 69.493 68.868 0.171 0.000 0.919 315 T HN 0.355 nan 8.240 nan 0.000 0.468 316 L N 3.063 124.535 121.223 0.415 0.000 2.452 316 L HA 0.527 4.850 4.340 -0.028 0.000 0.267 316 L C 1.532 178.613 176.870 0.352 0.000 1.188 316 L CA -0.929 54.114 54.840 0.338 0.000 0.821 316 L CB 0.178 42.426 42.059 0.315 0.000 1.102 316 L HN 0.946 nan 8.230 nan 0.000 0.470 317 A N 2.764 125.709 122.820 0.207 0.000 2.394 317 A HA 0.122 4.425 4.320 -0.028 0.000 0.256 317 A C 0.032 177.730 177.584 0.189 0.000 1.700 317 A CA 0.217 52.378 52.037 0.206 0.000 0.887 317 A CB -0.109 18.917 19.000 0.044 0.000 1.487 317 A HN 0.770 nan 8.150 nan 0.000 0.641 318 N N -1.002 117.751 118.700 0.088 0.000 2.284 318 N HA 0.553 5.276 4.740 -0.028 0.000 0.300 318 N C -1.081 174.397 175.510 -0.054 0.000 1.047 318 N CA -0.040 53.011 53.050 0.001 0.000 0.821 318 N CB 1.788 40.265 38.487 -0.016 0.000 1.337 318 N HN 0.697 nan 8.380 nan 0.000 0.482 319 S N -0.798 114.836 115.700 -0.110 0.000 2.599 319 S HA 0.825 5.279 4.470 -0.028 0.000 0.294 319 S C -0.326 174.199 174.600 -0.125 0.000 1.094 319 S CA -0.740 57.365 58.200 -0.158 0.000 0.931 319 S CB 1.596 64.636 63.200 -0.265 0.000 1.093 319 S HN 0.481 nan 8.310 nan 0.000 0.488 320 T N -0.660 113.864 114.554 -0.049 0.000 2.887 320 T HA 0.487 4.820 4.350 -0.028 0.000 0.288 320 T C 0.331 175.059 174.700 0.047 0.000 1.021 320 T CA -0.968 61.129 62.100 -0.005 0.000 1.000 320 T CB 1.164 70.044 68.868 0.020 0.000 1.034 320 T HN 0.451 nan 8.240 nan 0.000 0.467 321 N N 1.044 119.750 118.700 0.011 0.000 2.381 321 N HA -0.068 4.655 4.740 -0.028 0.000 0.182 321 N C 1.292 176.814 175.510 0.020 0.000 1.025 321 N CA 0.781 53.836 53.050 0.009 0.000 0.888 321 N CB -0.151 38.334 38.487 -0.003 0.000 0.965 321 N HN 0.721 nan 8.380 nan 0.000 0.438 322 E N 0.144 120.369 120.200 0.041 0.000 2.204 322 E HA -0.103 4.230 4.350 -0.028 0.000 0.195 322 E C 1.423 178.068 176.600 0.075 0.000 0.990 322 E CA 0.335 56.758 56.400 0.039 0.000 0.821 322 E CB -0.292 29.433 29.700 0.042 0.000 0.750 322 E HN 0.331 nan 8.360 nan 0.000 0.477 323 F N 0.786 120.716 119.950 -0.034 0.000 2.060 323 F HA -0.195 4.316 4.527 -0.028 0.000 0.295 323 F C 1.922 177.699 175.800 -0.038 0.000 1.120 323 F CA 0.983 58.968 58.000 -0.026 0.000 1.205 323 F CB -0.680 38.307 39.000 -0.021 0.000 0.986 323 F HN -0.144 nan 8.300 nan 0.000 0.470 324 V N 0.955 120.722 119.914 -0.245 0.000 2.250 324 V HA -0.364 3.739 4.120 -0.028 0.000 0.253 324 V C 2.574 178.496 176.094 -0.288 0.000 1.065 324 V CA 2.400 64.501 62.300 -0.332 0.000 1.039 324 V CB -0.919 30.821 31.823 -0.139 0.000 0.647 324 V HN 0.358 nan 8.190 nan 0.000 0.446 325 E N -0.276 119.824 120.200 -0.167 0.000 2.077 325 E HA -0.170 4.164 4.350 -0.028 0.000 0.193 325 E C 2.201 178.716 176.600 -0.143 0.000 0.989 325 E CA 1.547 57.870 56.400 -0.128 0.000 0.800 325 E CB -0.273 29.384 29.700 -0.072 0.000 0.746 325 E HN 0.625 nan 8.360 nan 0.000 0.452 326 I N 0.607 121.094 120.570 -0.139 0.000 2.208 326 I HA -0.252 3.901 4.170 -0.028 0.000 0.245 326 I C 2.401 178.410 176.117 -0.179 0.000 1.097 326 I CA 0.805 62.039 61.300 -0.110 0.000 1.363 326 I CB -0.260 37.724 38.000 -0.027 0.000 1.051 326 I HN -0.051 nan 8.210 nan 0.000 0.413 327 V N 0.571 120.283 119.914 -0.336 0.000 2.515 327 V HA -0.174 3.929 4.120 -0.028 0.000 0.250 327 V C 2.444 178.389 176.094 -0.249 0.000 1.058 327 V CA 1.423 63.512 62.300 -0.352 0.000 1.064 327 V CB -0.725 30.748 31.823 -0.583 0.000 0.675 327 V HN 0.355 nan 8.190 nan 0.000 0.461 328 R N 0.346 120.710 120.500 -0.226 0.000 2.235 328 R HA 0.009 4.333 4.340 -0.028 0.000 0.213 328 R C 1.567 177.789 176.300 -0.131 0.000 1.059 328 R CA 0.824 56.821 56.100 -0.171 0.000 0.997 328 R CB -0.552 29.659 30.300 -0.149 0.000 0.884 328 R HN 0.554 nan 8.270 nan 0.000 0.462 329 N N 0.097 118.726 118.700 -0.118 0.000 2.510 329 N HA 0.107 4.830 4.740 -0.028 0.000 0.186 329 N C -0.012 175.450 175.510 -0.079 0.000 1.051 329 N CA 0.489 53.486 53.050 -0.087 0.000 0.877 329 N CB -0.071 38.375 38.487 -0.069 0.000 1.183 329 N HN 0.035 nan 8.380 nan 0.000 0.443 330 A N 1.067 123.837 122.820 -0.083 0.000 2.600 330 A HA 0.193 4.496 4.320 -0.028 0.000 0.244 330 A C 1.398 178.943 177.584 -0.066 0.000 1.016 330 A CA 1.168 53.165 52.037 -0.068 0.000 0.778 330 A CB -0.275 nan 19.000 nan 0.000 0.920 330 A HN 0.506 nan 8.150 nan 0.000 0.513 331 E N 2.452 122.622 120.200 -0.050 0.000 2.086 331 E HA -0.025 4.308 4.350 -0.028 0.000 0.190 331 E C 0.834 177.407 176.600 -0.044 0.000 0.975 331 E CA 1.191 57.563 56.400 -0.047 0.000 0.813 331 E CB -0.268 29.410 29.700 -0.037 0.000 0.768 331 E HN 1.014 nan 8.360 nan 0.000 0.457 332 N N -2.449 116.229 118.700 -0.036 0.000 3.038 332 N HA 0.472 5.195 4.740 -0.028 0.000 0.307 332 N C 1.298 176.791 175.510 -0.029 0.000 1.441 332 N CA 0.445 53.476 53.050 -0.030 0.000 0.772 332 N CB 0.949 39.424 38.487 -0.020 0.000 1.651 332 N HN 0.406 nan 8.380 nan 0.000 0.593 333 L N 0.154 121.364 121.223 -0.020 0.000 2.005 333 L HA -0.043 4.280 4.340 -0.028 0.000 0.207 333 L C 2.015 178.881 176.870 -0.007 0.000 1.072 333 L CA 2.432 57.263 54.840 -0.016 0.000 0.744 333 L CB -1.696 40.361 42.059 -0.004 0.000 0.895 333 L HN 0.698 nan 8.230 nan 0.000 0.433 334 D N -1.132 119.266 120.400 -0.002 0.000 2.144 334 D HA -0.237 4.386 4.640 -0.028 0.000 0.199 334 D C 1.931 178.233 176.300 0.002 0.000 0.984 334 D CA 1.542 55.544 54.000 0.003 0.000 0.834 334 D CB -0.034 40.768 40.800 0.003 0.000 0.955 334 D HN 0.807 nan 8.370 nan 0.000 0.465 335 E N 0.426 120.623 120.200 -0.005 0.000 2.038 335 E HA -0.197 4.136 4.350 -0.028 0.000 0.195 335 E C 2.230 178.829 176.600 -0.001 0.000 1.000 335 E CA 0.614 57.010 56.400 -0.007 0.000 0.803 335 E CB -0.051 29.640 29.700 -0.016 0.000 0.750 335 E HN 0.064 nan 8.360 nan 0.000 0.448 336 L N 1.840 123.060 121.223 -0.005 0.000 1.989 336 L HA -0.190 4.133 4.340 -0.028 0.000 0.211 336 L C 2.237 179.130 176.870 0.038 0.000 1.071 336 L CA 3.075 57.919 54.840 0.007 0.000 0.749 336 L CB -1.309 40.741 42.059 -0.015 0.000 0.890 336 L HN 0.320 nan 8.230 nan 0.000 0.431 337 D N -1.250 119.170 120.400 0.034 0.000 2.116 337 D HA -0.208 4.415 4.640 -0.028 0.000 0.193 337 D C 2.021 178.350 176.300 0.049 0.000 0.998 337 D CA 2.563 56.599 54.000 0.060 0.000 0.836 337 D CB -1.080 39.745 40.800 0.043 0.000 0.951 337 D HN 0.787 nan 8.370 nan 0.000 0.449 338 S N -0.023 115.693 115.700 0.027 0.000 2.472 338 S HA -0.006 4.447 4.470 -0.028 0.000 0.213 338 S C 2.194 176.807 174.600 0.021 0.000 1.064 338 S CA 2.128 60.338 58.200 0.017 0.000 1.144 338 S CB -0.648 nan 63.200 nan 0.000 1.085 338 S HN 0.573 nan 8.310 nan 0.000 0.405 339 M N 0.451 120.062 119.600 0.018 0.000 4.073 339 M HA -0.322 4.141 4.480 -0.028 0.000 0.288 339 M C 2.181 178.500 176.300 0.032 0.000 0.920 339 M CA 2.352 57.664 55.300 0.020 0.000 0.995 339 M CB -1.447 31.164 32.600 0.018 0.000 1.351 339 M HN 0.551 nan 8.290 nan 0.000 0.639 340 L N -0.549 120.709 121.223 0.059 0.000 2.149 340 L HA -0.349 3.974 4.340 -0.028 0.000 0.223 340 L C 2.914 179.805 176.870 0.035 0.000 1.089 340 L CA 2.356 57.244 54.840 0.080 0.000 0.800 340 L CB -1.928 40.215 42.059 0.139 0.000 0.897 340 L HN 0.670 nan 8.230 nan 0.000 0.443 341 E N 0.453 120.661 120.200 0.014 0.000 2.271 341 E HA -0.279 4.054 4.350 -0.028 0.000 0.209 341 E C 1.496 178.089 176.600 -0.011 0.000 1.046 341 E CA 1.928 58.320 56.400 -0.014 0.000 0.840 341 E CB -1.458 28.234 29.700 -0.014 0.000 0.738 341 E HN 0.629 nan 8.360 nan 0.000 0.470 342 R N 0.189 120.690 120.500 0.002 0.000 3.342 342 R HA 0.328 4.651 4.340 -0.028 0.000 0.216 342 R C 0.549 176.846 176.300 -0.005 0.000 0.720 342 R CA 1.696 57.797 56.100 0.002 0.000 0.995 342 R CB -2.088 28.219 30.300 0.012 0.000 0.982 342 R HN 1.431 nan 8.270 nan 0.000 0.358 350 S N 0.908 116.613 115.700 0.008 0.000 2.672 350 S HA 0.725 5.178 4.470 -0.028 0.000 0.276 350 S C 0.194 174.799 174.600 0.009 0.000 1.207 350 S CA -0.472 57.736 58.200 0.013 0.000 1.002 350 S CB 1.483 64.695 63.200 0.020 0.000 0.998 350 S HN 0.356 nan 8.310 nan 0.000 0.542 351 V N 2.675 122.596 119.914 0.010 0.000 2.465 351 V HA 0.555 4.658 4.120 -0.028 0.000 0.279 351 V C 0.696 176.810 176.094 0.032 0.000 1.045 351 V CA -0.182 62.129 62.300 0.018 0.000 0.938 351 V CB 1.105 32.926 31.823 -0.003 0.000 0.986 351 V HN 1.082 nan 8.190 nan 0.000 0.467 352 T N 0.518 115.020 114.554 -0.087 0.000 2.831 352 T HA 0.178 4.511 4.350 -0.028 0.000 0.287 352 T C 1.217 175.539 174.700 -0.631 0.000 1.070 352 T CA 0.011 61.823 62.100 -0.480 0.000 1.010 352 T CB 1.196 69.885 68.868 -0.299 0.000 1.264 352 T HN 0.842 nan 8.240 nan 0.000 0.532 353 C N -1.458 117.159 119.300 -1.137 0.000 2.443 353 C HA 0.190 4.633 4.460 -0.028 0.000 0.290 353 C C 1.419 176.049 174.990 -0.600 0.000 1.476 353 C CA -0.374 58.133 59.018 -0.852 0.000 1.772 353 C CB -2.294 24.858 27.740 -0.978 0.000 1.714 353 C HN 0.759 nan 8.230 nan 0.000 0.562 354 W N 0.655 121.850 121.300 -0.175 0.000 3.132 354 W HA 0.302 4.946 4.660 -0.027 0.000 0.364 354 W C 1.930 178.420 176.519 -0.049 0.000 1.129 354 W CA -0.197 57.102 57.345 -0.076 0.000 1.815 354 W CB -0.050 29.360 29.460 -0.084 0.000 1.099 354 W HN 0.089 nan 8.180 nan 0.000 0.605 355 S N 1.035 116.798 115.700 0.105 0.000 2.593 355 S HA 0.023 4.476 4.470 -0.028 0.000 0.217 355 S C 0.459 175.098 174.600 0.064 0.000 0.966 355 S CA 0.259 58.507 58.200 0.080 0.000 0.914 355 S CB -0.295 62.933 63.200 0.047 0.000 0.776 355 S HN 0.252 nan 8.310 nan 0.000 0.523 356 Q N -0.090 119.753 119.800 0.072 0.000 2.647 356 Q HA 0.315 4.638 4.340 -0.028 0.000 0.283 356 Q C -3.649 172.399 176.000 0.080 0.000 0.943 356 Q CA -2.014 53.812 55.803 0.038 0.000 0.813 356 Q CB 0.473 29.241 28.738 0.051 0.000 1.477 356 Q HN -0.088 nan 8.270 nan 0.000 0.393 357 P HA 0.301 nan 4.420 nan 0.000 0.271 357 P C -0.617 176.810 177.300 0.213 0.000 1.216 357 P CA -0.116 63.074 63.100 0.151 0.000 0.776 357 P CB 0.760 32.528 31.700 0.114 0.000 0.881 358 L N 3.374 124.770 121.223 0.289 0.000 2.381 358 L HA 0.418 4.741 4.340 -0.028 0.000 0.274 358 L C -0.251 176.861 176.870 0.402 0.000 0.988 358 L CA -0.981 54.041 54.840 0.304 0.000 0.824 358 L CB 1.745 44.028 42.059 0.373 0.000 1.263 358 L HN 0.287 nan 8.230 nan 0.000 0.410 359 F N 4.170 124.174 119.950 0.091 0.000 2.371 359 F HA 0.524 5.036 4.527 -0.026 0.000 0.363 359 F C -0.979 174.783 175.800 -0.065 0.000 1.122 359 F CA -1.052 57.015 58.000 0.111 0.000 1.129 359 F CB 0.428 39.538 39.000 0.184 0.000 1.173 359 F HN 0.087 nan 8.300 nan 0.000 0.489 360 F N 5.284 125.146 119.950 -0.147 0.000 2.436 360 F HA 0.511 5.020 4.527 -0.030 0.000 0.340 360 F C -0.342 175.206 175.800 -0.421 0.000 1.113 360 F CA -1.005 56.877 58.000 -0.197 0.000 1.022 360 F CB 1.698 40.706 39.000 0.013 0.000 1.128 360 F HN 0.050 nan 8.300 nan 0.000 0.466 361 V N 3.812 123.573 119.914 -0.255 0.000 2.294 361 V HA 0.152 4.255 4.120 -0.028 0.000 0.272 361 V C 0.165 176.134 176.094 -0.208 0.000 1.027 361 V CA -0.960 61.175 62.300 -0.276 0.000 0.823 361 V CB 0.976 32.660 31.823 -0.232 0.000 1.030 361 V HN 0.767 nan 8.190 nan 0.000 0.457 362 N N 5.144 123.689 118.700 -0.257 0.000 2.498 362 N HA 0.100 4.823 4.740 -0.028 0.000 0.277 362 N C 0.953 176.271 175.510 -0.321 0.000 1.208 362 N CA -0.373 52.364 53.050 -0.523 0.000 1.029 362 N CB 0.468 38.733 38.487 -0.369 0.000 1.403 362 N HN 0.683 nan 8.380 nan 0.000 0.500 363 L N 1.890 122.942 121.223 -0.285 0.000 2.549 363 L HA -0.092 4.231 4.340 -0.028 0.000 0.230 363 L C 2.281 179.115 176.870 -0.061 0.000 1.162 363 L CA 0.326 55.069 54.840 -0.163 0.000 0.834 363 L CB -0.249 41.783 42.059 -0.046 0.000 0.947 363 L HN 0.471 nan 8.230 nan 0.000 0.452 364 S N -0.366 115.328 115.700 -0.010 0.000 2.561 364 S HA -0.104 4.349 4.470 -0.028 0.000 0.225 364 S C 1.900 176.506 174.600 0.011 0.000 0.977 364 S CA 0.870 59.102 58.200 0.053 0.000 0.926 364 S CB 0.086 63.387 63.200 0.168 0.000 0.769 364 S HN 0.450 nan 8.310 nan 0.000 0.533 365 K N 0.164 120.562 120.400 -0.004 0.000 2.350 365 K HA 0.097 4.400 4.320 -0.028 0.000 0.196 365 K C 2.024 178.613 176.600 -0.018 0.000 1.084 365 K CA 0.991 57.276 56.287 -0.003 0.000 0.967 365 K CB -0.156 32.349 32.500 0.009 0.000 0.950 365 K HN 0.391 nan 8.250 nan 0.000 0.512 366 S N -0.362 115.305 115.700 -0.056 0.000 2.439 366 S HA -0.061 4.392 4.470 -0.028 0.000 0.224 366 S C 1.618 176.193 174.600 -0.041 0.000 1.029 366 S CA 1.089 59.250 58.200 -0.065 0.000 0.946 366 S CB 0.108 63.206 63.200 -0.171 0.000 0.797 366 S HN 0.384 nan 8.310 nan 0.000 0.504 367 T N -3.733 110.794 114.554 -0.045 0.000 3.111 367 T HA 0.536 4.869 4.350 -0.028 0.000 0.284 367 T C 1.298 176.002 174.700 0.006 0.000 0.983 367 T CA 0.441 62.541 62.100 0.001 0.000 0.900 367 T CB 0.081 68.963 68.868 0.024 0.000 1.132 367 T HN 1.149 nan 8.240 nan 0.000 0.531 368 G N 1.142 109.939 108.800 -0.004 0.000 2.225 368 G HA2 -0.201 3.742 3.960 -0.028 0.000 0.267 368 G HA3 -0.201 3.742 3.960 -0.028 0.000 0.267 368 G C -0.043 174.859 174.900 0.004 0.000 1.024 368 G CA 0.270 45.364 45.100 -0.010 0.000 0.784 368 G HN 0.803 nan 8.290 nan 0.000 0.507 369 V N 0.048 119.984 119.914 0.037 0.000 2.459 369 V HA 0.726 4.829 4.120 -0.028 0.000 0.295 369 V C 0.866 177.053 176.094 0.155 0.000 1.029 369 V CA -0.252 62.104 62.300 0.093 0.000 0.874 369 V CB 1.831 33.729 31.823 0.126 0.000 0.985 369 V HN 0.994 nan 8.190 nan 0.000 0.438 370 A N 3.906 126.832 122.820 0.177 0.000 3.051 370 A HA 0.549 4.852 4.320 -0.028 0.000 0.257 370 A C 0.516 178.485 177.584 0.642 0.000 1.785 370 A CA 0.136 52.338 52.037 0.275 0.000 1.420 370 A CB -0.656 18.419 19.000 0.125 0.000 1.063 370 A HN 0.720 nan 8.150 nan 0.000 0.630 371 S N -0.863 115.175 115.700 0.562 0.000 2.618 371 S HA 0.770 5.223 4.470 -0.028 0.000 0.277 371 S C -1.080 173.695 174.600 0.292 0.000 1.138 371 S CA -0.461 58.080 58.200 0.568 0.000 0.844 371 S CB 1.184 64.627 63.200 0.404 0.000 1.127 371 S HN 0.341 nan 8.310 nan 0.000 0.474 372 F N 1.668 121.821 119.950 0.337 0.000 2.467 372 F HA 0.526 5.037 4.527 -0.027 0.000 0.336 372 F C 0.019 175.892 175.800 0.122 0.000 1.123 372 F CA -0.558 57.580 58.000 0.230 0.000 0.964 372 F CB 1.659 40.849 39.000 0.318 0.000 1.136 372 F HN 0.342 nan 8.300 nan 0.000 0.447 373 M N 6.937 126.604 119.600 0.112 0.000 2.047 373 M HA 0.427 4.890 4.480 -0.028 0.000 0.342 373 M C -1.360 174.873 176.300 -0.112 0.000 1.058 373 M CA -0.273 55.009 55.300 -0.030 0.000 0.991 373 M CB 0.780 33.360 32.600 -0.034 0.000 1.474 373 M HN 0.709 nan 8.290 nan 0.000 0.419 374 M N 4.835 124.315 119.600 -0.200 0.000 2.404 374 M HA 0.471 4.934 4.480 -0.028 0.000 0.338 374 M C -2.017 174.141 176.300 -0.237 0.000 1.150 374 M CA -0.807 54.218 55.300 -0.458 0.000 1.016 374 M CB 1.376 33.450 32.600 -0.876 0.000 1.672 374 M HN 0.647 nan 8.290 nan 0.000 0.448 375 L N 6.044 127.199 121.223 -0.114 0.000 2.296 375 L HA 0.562 4.885 4.340 -0.028 0.000 0.286 375 L C -0.039 176.927 176.870 0.161 0.000 1.023 375 L CA -0.140 54.783 54.840 0.138 0.000 0.812 375 L CB 1.701 44.007 42.059 0.412 0.000 1.223 375 L HN 0.786 nan 8.230 nan 0.000 0.421 376 M N 1.995 121.694 119.600 0.165 0.000 2.762 376 M HA 0.755 5.218 4.480 -0.028 0.000 0.306 376 M C -0.767 175.650 176.300 0.195 0.000 1.223 376 M CA -0.741 54.671 55.300 0.185 0.000 0.896 376 M CB 2.083 34.795 32.600 0.187 0.000 1.684 376 M HN 0.562 nan 8.290 nan 0.000 0.491 377 Q N 1.356 121.262 119.800 0.177 0.000 2.552 377 Q HA 0.781 5.104 4.340 -0.028 0.000 0.289 377 Q C -1.494 174.587 176.000 0.135 0.000 1.097 377 Q CA -0.860 55.040 55.803 0.162 0.000 0.812 377 Q CB 1.742 30.581 28.738 0.169 0.000 1.460 377 Q HN 0.918 nan 8.270 nan 0.000 0.452 378 A N 1.661 124.554 122.820 0.123 0.000 2.425 378 A HA 0.420 4.723 4.320 -0.028 0.000 0.249 378 A C -1.720 175.919 177.584 0.092 0.000 1.084 378 A CA -0.984 51.118 52.037 0.107 0.000 0.781 378 A CB -0.016 19.050 19.000 0.109 0.000 1.019 378 A HN 0.705 nan 8.150 nan 0.000 0.490 379 P HA -0.023 nan 4.420 nan 0.000 0.245 379 P C 1.297 178.651 177.300 0.090 0.000 1.203 379 P CA 0.107 63.254 63.100 0.078 0.000 0.792 379 P CB 0.128 31.863 31.700 0.058 0.000 0.997 380 L N 0.983 122.257 121.223 0.084 0.000 2.129 380 L HA -0.141 4.183 4.340 -0.028 0.000 0.212 380 L C 1.964 178.894 176.870 0.100 0.000 1.087 380 L CA 2.188 57.071 54.840 0.071 0.000 0.757 380 L CB -1.687 40.426 42.059 0.089 0.000 0.896 380 L HN -0.075 nan 8.230 nan 0.000 0.434 381 T N -0.020 114.604 114.554 0.116 0.000 2.652 381 T HA -0.177 4.156 4.350 -0.028 0.000 0.267 381 T C 1.596 176.357 174.700 0.101 0.000 1.039 381 T CA 1.934 64.106 62.100 0.119 0.000 1.153 381 T CB -0.544 68.403 68.868 0.133 0.000 0.863 381 T HN 0.461 nan 8.240 nan 0.000 0.428 382 N N 0.683 119.444 118.700 0.101 0.000 2.120 382 N HA -0.138 4.585 4.740 -0.028 0.000 0.188 382 N C 1.752 177.291 175.510 0.047 0.000 1.024 382 N CA 1.139 54.233 53.050 0.073 0.000 0.852 382 N CB -0.553 37.979 38.487 0.075 0.000 1.003 382 N HN 0.448 nan 8.380 nan 0.000 0.424 383 H N 1.188 120.244 119.070 -0.023 0.000 2.253 383 H HA -0.036 4.503 4.556 -0.029 0.000 0.296 383 H C 1.775 177.040 175.328 -0.104 0.000 1.074 383 H CA 1.381 57.388 56.048 -0.068 0.000 1.263 383 H CB -0.206 29.500 29.762 -0.094 0.000 1.363 383 H HN 0.054 nan 8.280 nan 0.000 0.489 384 I N 1.424 122.063 120.570 0.115 0.000 2.264 384 I HA -0.218 3.936 4.170 -0.028 0.000 0.248 384 I C 2.410 178.524 176.117 -0.005 0.000 1.111 384 I CA 1.187 62.508 61.300 0.035 0.000 1.382 384 I CB -1.041 37.003 38.000 0.074 0.000 1.060 384 I HN 0.389 nan 8.210 nan 0.000 0.418 385 E N 0.605 120.805 120.200 -0.001 0.000 2.107 385 E HA -0.159 4.174 4.350 -0.028 0.000 0.191 385 E C 2.233 178.796 176.600 -0.061 0.000 0.982 385 E CA 1.509 57.891 56.400 -0.029 0.000 0.809 385 E CB -0.044 29.653 29.700 -0.006 0.000 0.756 385 E HN 0.510 nan 8.360 nan 0.000 0.459 386 S N 1.368 117.020 115.700 -0.080 0.000 2.440 386 S HA -0.144 4.309 4.470 -0.028 0.000 0.238 386 S C 1.711 176.236 174.600 -0.126 0.000 1.010 386 S CA 1.031 59.165 58.200 -0.111 0.000 0.972 386 S CB -0.527 62.582 63.200 -0.150 0.000 0.774 386 S HN 0.434 nan 8.310 nan 0.000 0.501 387 I N -1.087 119.405 120.570 -0.130 0.000 3.569 387 I HA 0.420 4.573 4.170 -0.028 0.000 0.334 387 I C 1.424 177.507 176.117 -0.057 0.000 1.570 387 I CA -0.814 60.425 61.300 -0.102 0.000 1.082 387 I CB 0.273 38.197 38.000 -0.127 0.000 1.323 387 I HN 0.118 nan 8.210 nan 0.000 0.489 388 R N 0.007 120.472 120.500 -0.059 0.000 2.237 388 R HA -0.029 4.294 4.340 -0.028 0.000 0.219 388 R C 1.055 177.328 176.300 -0.045 0.000 1.080 388 R CA 0.959 57.028 56.100 -0.052 0.000 0.995 388 R CB -0.234 30.021 30.300 -0.075 0.000 0.875 388 R HN 0.303 nan 8.270 nan 0.000 0.462 389 E N 1.355 121.529 120.200 -0.043 0.000 2.358 389 E HA -0.053 4.280 4.350 -0.028 0.000 0.195 389 E C -0.227 176.364 176.600 -0.016 0.000 1.010 389 E CA 0.515 56.895 56.400 -0.034 0.000 0.856 389 E CB -0.062 29.615 29.700 -0.038 0.000 0.795 389 E HN 0.219 nan 8.360 nan 0.000 0.504 390 D N 0.326 120.723 120.400 -0.005 0.000 2.639 390 D HA 0.018 4.641 4.640 -0.028 0.000 0.233 390 D C 0.425 176.753 176.300 0.047 0.000 1.161 390 D CA -0.088 53.924 54.000 0.019 0.000 1.003 390 D CB 0.132 40.945 40.800 0.021 0.000 1.034 390 D HN -0.156 nan 8.370 nan 0.000 0.514 391 K N 1.121 121.544 120.400 0.037 0.000 2.362 391 K HA -0.155 4.148 4.320 -0.028 0.000 0.202 391 K C 1.178 177.850 176.600 0.121 0.000 1.045 391 K CA 0.908 57.230 56.287 0.057 0.000 0.936 391 K CB 0.328 32.838 32.500 0.015 0.000 0.747 391 K HN 0.600 nan 8.250 nan 0.000 0.467 392 E N -0.026 120.244 120.200 0.115 0.000 2.099 392 E HA -0.030 4.303 4.350 -0.028 0.000 0.191 392 E C 2.119 178.844 176.600 0.208 0.000 0.962 392 E CA 0.031 56.532 56.400 0.168 0.000 0.826 392 E CB -0.083 29.683 29.700 0.111 0.000 0.788 392 E HN 0.180 nan 8.360 nan 0.000 0.461 393 R N 1.323 121.912 120.500 0.149 0.000 2.159 393 R HA -0.122 4.201 4.340 -0.028 0.000 0.237 393 R C 2.147 178.569 176.300 0.204 0.000 1.131 393 R CA 0.858 57.048 56.100 0.150 0.000 0.982 393 R CB -0.096 30.263 30.300 0.098 0.000 0.868 393 R HN 0.141 nan 8.270 nan 0.000 0.453 394 L N -0.584 120.776 121.223 0.228 0.000 2.023 394 L HA -0.116 4.207 4.340 -0.028 0.000 0.205 394 L C 2.291 179.452 176.870 0.485 0.000 1.073 394 L CA 1.086 56.128 54.840 0.337 0.000 0.745 394 L CB -0.603 41.626 42.059 0.283 0.000 0.900 394 L HN 0.172 nan 8.230 nan 0.000 0.435 395 F N 0.203 120.326 119.950 0.288 0.000 2.202 395 F HA -0.263 4.248 4.527 -0.027 0.000 0.301 395 F C 2.707 178.641 175.800 0.222 0.000 1.082 395 F CA 1.595 59.759 58.000 0.272 0.000 1.313 395 F CB -0.247 38.847 39.000 0.156 0.000 1.024 395 F HN -0.013 nan 8.300 nan 0.000 0.495 396 S N -0.273 115.519 115.700 0.155 0.000 2.345 396 S HA -0.216 4.238 4.470 -0.028 0.000 0.220 396 S C 2.056 176.635 174.600 -0.036 0.000 1.031 396 S CA 1.286 59.492 58.200 0.009 0.000 0.996 396 S CB -0.907 62.365 63.200 0.121 0.000 0.882 396 S HN 0.473 nan 8.310 nan 0.000 0.445 397 F N 1.171 121.068 119.950 -0.088 0.000 2.065 397 F HA -0.106 4.404 4.527 -0.029 0.000 0.298 397 F C 1.584 177.174 175.800 -0.351 0.000 1.112 397 F CA 1.909 59.770 58.000 -0.232 0.000 1.212 397 F CB -0.454 38.361 39.000 -0.307 0.000 0.975 397 F HN 0.292 nan 8.300 nan 0.000 0.476 398 F N -0.092 119.911 119.950 0.090 0.000 2.710 398 F HA -0.003 4.509 4.527 -0.026 0.000 0.298 398 F C 2.373 177.971 175.800 -0.337 0.000 1.137 398 F CA 0.685 58.635 58.000 -0.082 0.000 1.444 398 F CB -0.804 38.300 39.000 0.173 0.000 1.111 398 F HN 0.076 nan 8.300 nan 0.000 0.580 399 Q N 1.708 121.313 119.800 -0.326 0.000 2.096 399 Q HA -0.215 4.108 4.340 -0.028 0.000 0.208 399 Q C -0.667 175.162 176.000 -0.285 0.000 0.993 399 Q CA 2.285 57.795 55.803 -0.488 0.000 0.862 399 Q CB -1.125 27.193 28.738 -0.699 0.000 0.915 399 Q HN 0.187 nan 8.270 nan 0.000 0.416 400 P HA -0.164 nan 4.420 nan 0.000 0.215 400 P C 1.598 178.841 177.300 -0.094 0.000 1.157 400 P CA 2.222 65.273 63.100 -0.083 0.000 0.868 400 P CB -0.405 31.313 31.700 0.029 0.000 0.788 401 V N -2.401 117.297 119.914 -0.360 0.000 2.427 401 V HA -0.190 3.913 4.120 -0.028 0.000 0.248 401 V C 2.752 178.569 176.094 -0.462 0.000 1.051 401 V CA 1.368 63.363 62.300 -0.509 0.000 1.048 401 V CB -2.051 29.359 31.823 -0.688 0.000 0.666 401 V HN -0.078 nan 8.190 nan 0.000 0.456 402 L N 0.554 121.506 121.223 -0.451 0.000 2.012 402 L HA -0.143 4.180 4.340 -0.028 0.000 0.210 402 L C 2.853 179.495 176.870 -0.380 0.000 1.073 402 L CA 2.062 56.583 54.840 -0.531 0.000 0.748 402 L CB -0.835 40.965 42.059 -0.432 0.000 0.891 402 L HN 0.378 nan 8.230 nan 0.000 0.431 403 N N 0.150 118.715 118.700 -0.224 0.000 2.058 403 N HA -0.210 4.513 4.740 -0.028 0.000 0.191 403 N C 1.794 177.232 175.510 -0.120 0.000 1.037 403 N CA 1.198 54.170 53.050 -0.130 0.000 0.848 403 N CB -0.270 38.179 38.487 -0.062 0.000 1.021 403 N HN 0.117 nan 8.380 nan 0.000 0.422 404 K N 1.456 121.818 120.400 -0.062 0.000 2.059 404 K HA -0.045 4.258 4.320 -0.028 0.000 0.212 404 K C 1.991 178.538 176.600 -0.087 0.000 1.050 404 K CA 1.080 57.370 56.287 0.005 0.000 0.927 404 K CB -0.535 32.102 32.500 0.228 0.000 0.714 404 K HN 0.185 nan 8.250 nan 0.000 0.447 405 I N -0.015 120.414 120.570 -0.233 0.000 2.142 405 I HA -0.301 3.852 4.170 -0.028 0.000 0.240 405 I C 2.272 178.217 176.117 -0.286 0.000 1.078 405 I CA 1.230 62.331 61.300 -0.333 0.000 1.343 405 I CB -0.299 37.301 38.000 -0.666 0.000 1.046 405 I HN 0.230 nan 8.210 nan 0.000 0.405 406 M N 0.392 119.796 119.600 -0.327 0.000 2.149 406 M HA -0.237 4.226 4.480 -0.028 0.000 0.261 406 M C 2.273 178.517 176.300 -0.093 0.000 1.064 406 M CA 1.640 56.808 55.300 -0.221 0.000 1.102 406 M CB -1.142 31.336 32.600 -0.203 0.000 1.369 406 M HN 0.227 nan 8.290 nan 0.000 0.408 407 K N -0.061 120.290 120.400 -0.081 0.000 2.009 407 K HA -0.170 4.133 4.320 -0.028 0.000 0.210 407 K C 1.974 178.560 176.600 -0.023 0.000 1.049 407 K CA 1.886 58.152 56.287 -0.035 0.000 0.929 407 K CB -0.040 32.444 32.500 -0.027 0.000 0.714 407 K HN 0.352 nan 8.250 nan 0.000 0.440 408 C N 0.767 120.047 119.300 -0.033 0.000 2.432 408 C HA 0.046 4.489 4.460 -0.028 0.000 0.282 408 C C 1.826 176.816 174.990 -0.000 0.000 1.388 408 C CA 0.176 59.187 59.018 -0.013 0.000 1.777 408 C CB -0.636 27.097 27.740 -0.011 0.000 1.882 408 C HN 0.442 nan 8.230 nan 0.000 0.520 409 L N 0.977 122.193 121.223 -0.011 0.000 2.737 409 L HA 0.123 4.446 4.340 -0.028 0.000 0.236 409 L C -0.206 176.710 176.870 0.077 0.000 1.219 409 L CA 0.268 55.132 54.840 0.040 0.000 1.021 409 L CB -0.596 41.485 42.059 0.037 0.000 1.291 409 L HN 0.318 nan 8.230 nan 0.000 0.470 410 D N 0.298 120.726 120.400 0.047 0.000 2.705 410 D HA -0.179 4.444 4.640 -0.028 0.000 0.240 410 D C 0.114 176.448 176.300 0.056 0.000 1.137 410 D CA 0.939 54.967 54.000 0.047 0.000 0.677 410 D CB -0.814 40.015 40.800 0.049 0.000 1.049 410 D HN 0.375 nan 8.370 nan 0.000 0.427 411 S N -1.112 114.617 115.700 0.048 0.000 2.579 411 S HA 0.410 4.863 4.470 -0.028 0.000 0.272 411 S C -0.381 174.236 174.600 0.029 0.000 1.141 411 S CA -0.786 57.446 58.200 0.054 0.000 0.843 411 S CB 1.961 65.222 63.200 0.101 0.000 1.122 411 S HN 0.114 nan 8.310 nan 0.000 0.468 412 E N 1.279 121.500 120.200 0.035 0.000 2.376 412 E HA 0.179 4.512 4.350 -0.028 0.000 0.254 412 E C -0.255 176.361 176.600 0.026 0.000 1.213 412 E CA -0.679 55.738 56.400 0.029 0.000 0.945 412 E CB 0.283 30.006 29.700 0.038 0.000 1.057 412 E HN 0.589 nan 8.360 nan 0.000 0.479 413 D N 0.156 120.572 120.400 0.027 0.000 2.300 413 D HA -0.008 4.615 4.640 -0.028 0.000 0.235 413 D C -0.366 175.977 176.300 0.073 0.000 1.338 413 D CA 0.362 54.381 54.000 0.031 0.000 0.903 413 D CB 0.559 41.383 40.800 0.040 0.000 1.180 413 D HN -0.044 nan 8.370 nan 0.000 0.485 414 V N 1.172 121.155 119.914 0.114 0.000 2.472 414 V HA 0.266 4.370 4.120 -0.028 0.000 0.290 414 V C 0.397 176.653 176.094 0.270 0.000 1.037 414 V CA -0.597 61.836 62.300 0.221 0.000 0.908 414 V CB 1.493 33.508 31.823 0.318 0.000 0.985 414 V HN 0.270 nan 8.190 nan 0.000 0.454 415 I N 3.913 124.611 120.570 0.214 0.000 2.297 415 I HA 0.203 4.356 4.170 -0.028 0.000 0.291 415 I C 0.215 176.336 176.117 0.007 0.000 1.033 415 I CA -0.355 61.022 61.300 0.128 0.000 1.253 415 I CB 1.033 39.083 38.000 0.084 0.000 1.396 415 I HN 0.581 nan 8.210 nan 0.000 0.476 416 D N 6.667 126.959 120.400 -0.178 0.000 2.356 416 D HA 0.031 4.654 4.640 -0.028 0.000 0.272 416 D C 0.631 176.741 176.300 -0.316 0.000 1.337 416 D CA 0.159 53.788 54.000 -0.617 0.000 0.970 416 D CB 0.849 40.975 40.800 -1.123 0.000 1.092 416 D HN 0.725 nan 8.370 nan 0.000 0.516 417 G N 3.938 112.592 108.800 -0.243 0.000 4.644 417 G HA2 0.144 4.087 3.960 -0.028 0.000 0.307 417 G HA3 0.144 4.087 3.960 -0.028 0.000 0.307 417 G C 1.214 176.002 174.900 -0.185 0.000 1.331 417 G CA -0.334 44.670 45.100 -0.160 0.000 1.059 417 G HN 0.469 nan 8.290 nan 0.000 0.590 418 M N -0.422 119.050 119.600 -0.214 0.000 2.236 418 M HA 0.192 4.655 4.480 -0.028 0.000 0.266 418 M C 1.585 177.820 176.300 -0.109 0.000 1.070 418 M CA 0.993 56.185 55.300 -0.179 0.000 1.137 418 M CB 0.083 32.576 32.600 -0.178 0.000 1.378 418 M HN 0.111 nan 8.290 nan 0.000 0.426 428 N N 0.394 119.108 118.700 0.024 0.000 2.530 428 N HA 0.443 5.166 4.740 -0.028 0.000 0.216 428 N C 0.351 175.884 175.510 0.037 0.000 1.315 428 N CA 1.230 54.293 53.050 0.022 0.000 0.858 428 N CB -0.251 nan 38.487 nan 0.000 1.138 428 N HN 1.300 nan 8.380 nan 0.000 0.473 429 K N 1.402 121.833 120.400 0.052 0.000 2.156 429 K HA 0.692 4.995 4.320 -0.028 0.000 0.254 429 K C -3.028 173.636 176.600 0.107 0.000 0.950 429 K CA -2.006 54.325 56.287 0.073 0.000 0.849 429 K CB 0.790 33.333 32.500 0.071 0.000 1.100 429 K HN 0.316 nan 8.250 nan 0.000 0.434 430 P HA 0.273 nan 4.420 nan 0.000 0.282 430 P C -0.438 177.063 177.300 0.334 0.000 1.274 430 P CA -0.271 62.964 63.100 0.226 0.000 0.770 430 P CB 0.712 32.507 31.700 0.158 0.000 0.867 431 V N 2.747 122.887 119.914 0.377 0.000 2.398 431 V HA 0.361 4.464 4.120 -0.028 0.000 0.286 431 V C -0.007 176.249 176.094 0.270 0.000 1.026 431 V CA -1.201 61.260 62.300 0.269 0.000 0.868 431 V CB 1.405 33.298 31.823 0.117 0.000 0.982 431 V HN 0.297 nan 8.190 nan 0.000 0.443 432 L N 5.899 127.147 121.223 0.042 0.000 2.312 432 L HA 0.515 4.838 4.340 -0.028 0.000 0.287 432 L C 1.338 178.033 176.870 -0.291 0.000 1.091 432 L CA 0.446 55.106 54.840 -0.300 0.000 0.846 432 L CB 0.402 42.318 42.059 -0.238 0.000 1.219 432 L HN 0.647 nan 8.230 nan 0.000 0.439 433 R N 2.800 123.093 120.500 -0.345 0.000 2.093 433 R HA 0.146 4.469 4.340 -0.028 0.000 0.224 433 R C 0.362 176.444 176.300 -0.364 0.000 1.101 433 R CA 0.567 56.388 56.100 -0.465 0.000 0.979 433 R CB -0.330 29.365 30.300 -1.008 0.000 0.877 433 R HN 0.805 nan 8.270 nan 0.000 0.441 434 N N -0.610 117.919 118.700 -0.284 0.000 2.484 434 N HA 0.324 5.047 4.740 -0.028 0.000 0.269 434 N C -1.555 173.864 175.510 -0.153 0.000 1.237 434 N CA -0.476 52.477 53.050 -0.161 0.000 0.838 434 N CB 1.864 40.313 38.487 -0.063 0.000 1.593 434 N HN -0.180 nan 8.380 nan 0.000 0.485 435 I N 2.832 123.317 120.570 -0.141 0.000 2.533 435 I HA 0.454 4.607 4.170 -0.028 0.000 0.290 435 I C -0.762 175.219 176.117 -0.227 0.000 1.056 435 I CA -0.680 60.479 61.300 -0.234 0.000 1.057 435 I CB 2.013 39.907 38.000 -0.177 0.000 1.240 435 I HN 0.400 nan 8.210 nan 0.000 0.423 436 I N 6.190 126.572 120.570 -0.314 0.000 2.509 436 I HA 0.587 4.740 4.170 -0.028 0.000 0.293 436 I C -0.609 175.340 176.117 -0.281 0.000 1.020 436 I CA -0.919 60.239 61.300 -0.238 0.000 1.088 436 I CB 2.245 40.125 38.000 -0.200 0.000 1.267 436 I HN 0.158 nan 8.210 nan 0.000 0.430 437 V N 3.134 122.926 119.914 -0.202 0.000 3.001 437 V HA 0.478 4.581 4.120 -0.028 0.000 0.314 437 V C 0.065 176.060 176.094 -0.165 0.000 1.099 437 V CA -0.674 61.516 62.300 -0.183 0.000 0.989 437 V CB 2.285 34.025 31.823 -0.139 0.000 1.040 437 V HN 0.899 nan 8.190 nan 0.000 0.434 438 S N 0.933 116.548 115.700 -0.142 0.000 2.652 438 S HA 0.337 4.790 4.470 -0.028 0.000 0.270 438 S C 0.190 174.622 174.600 -0.280 0.000 1.243 438 S CA -0.389 57.673 58.200 -0.229 0.000 0.999 438 S CB 0.911 64.079 63.200 -0.053 0.000 0.973 438 S HN 0.826 nan 8.310 nan 0.000 0.544 439 N N -0.579 117.813 118.700 -0.514 0.000 2.194 439 N HA 0.180 4.903 4.740 -0.028 0.000 0.231 439 N C 0.191 175.541 175.510 -0.267 0.000 1.247 439 N CA -0.357 52.489 53.050 -0.339 0.000 0.884 439 N CB 0.178 38.473 38.487 -0.320 0.000 1.146 439 N HN 0.811 nan 8.380 nan 0.000 0.516 440 W N 0.899 122.229 121.300 0.050 0.000 2.308 440 W HA -0.221 4.422 4.660 -0.029 0.000 0.301 440 W C 2.558 179.125 176.519 0.080 0.000 1.220 440 W CA 1.554 58.947 57.345 0.080 0.000 1.240 440 W CB -0.428 29.096 29.460 0.107 0.000 1.142 440 W HN 0.178 nan 8.180 nan 0.000 0.521 441 T N -1.863 112.841 114.554 0.250 0.000 2.995 441 T HA -0.015 4.318 4.350 -0.028 0.000 0.269 441 T C 1.556 176.308 174.700 0.087 0.000 1.091 441 T CA 0.826 63.029 62.100 0.172 0.000 1.128 441 T CB -0.221 68.726 68.868 0.132 0.000 0.891 441 T HN 0.213 nan 8.240 nan 0.000 0.492 442 R N 0.840 121.363 120.500 0.039 0.000 2.237 442 R HA 0.176 4.499 4.340 -0.028 0.000 0.195 442 R C 0.427 176.707 176.300 -0.033 0.000 0.956 442 R CA 0.028 56.119 56.100 -0.014 0.000 1.029 442 R CB 0.006 30.276 30.300 -0.049 0.000 0.972 442 R HN 0.351 nan 8.270 nan 0.000 0.493 443 D N 2.907 123.306 120.400 -0.002 0.000 2.363 443 D HA -0.001 4.622 4.640 -0.028 0.000 0.263 443 D C -1.391 174.900 176.300 -0.015 0.000 1.258 443 D CA -1.611 52.386 54.000 -0.006 0.000 0.907 443 D CB 1.423 42.286 40.800 0.104 0.000 1.107 443 D HN 0.027 nan 8.370 nan 0.000 0.495 444 P HA -0.152 nan 4.420 nan 0.000 0.225 444 P C 0.850 178.113 177.300 -0.061 0.000 1.148 444 P CA 1.013 63.993 63.100 -0.199 0.000 0.779 444 P CB -0.017 31.444 31.700 -0.398 0.000 0.780 445 Y N -1.077 119.266 120.300 0.072 0.000 2.466 445 Y HA 0.126 4.659 4.550 -0.029 0.000 0.272 445 Y C 2.707 178.681 175.900 0.123 0.000 1.169 445 Y CA -0.026 58.126 58.100 0.086 0.000 1.285 445 Y CB 0.386 38.904 38.460 0.096 0.000 1.078 445 Y HN 0.065 nan 8.280 nan 0.000 0.523 446 S N 0.139 116.012 115.700 0.289 0.000 2.891 446 S HA 0.104 4.557 4.470 -0.028 0.000 0.247 446 S C 0.695 175.405 174.600 0.183 0.000 1.063 446 S CA -0.082 58.303 58.200 0.308 0.000 0.857 446 S CB 0.140 63.684 63.200 0.572 0.000 0.800 446 S HN 0.332 nan 8.310 nan 0.000 0.540 447 R N 1.383 121.967 120.500 0.139 0.000 3.333 447 R HA -0.094 4.229 4.340 -0.028 0.000 0.256 447 R C 0.348 176.706 176.300 0.096 0.000 1.010 447 R CA 0.403 56.517 56.100 0.022 0.000 0.680 447 R CB -2.231 27.976 30.300 -0.156 0.000 1.102 447 R HN 0.811 nan 8.270 nan 0.000 0.440 448 G N -2.428 106.595 108.800 0.372 0.000 2.354 448 G HA2 0.250 4.193 3.960 -0.028 0.000 0.582 448 G HA3 0.250 4.193 3.960 -0.028 0.000 0.582 448 G C 0.187 175.378 174.900 0.485 0.000 1.316 448 G CA -0.265 45.179 45.100 0.573 0.000 0.995 448 G HN 0.353 nan 8.290 nan 0.000 0.573 449 A N -0.907 121.972 122.820 0.098 0.000 1.871 449 A HA 0.715 5.018 4.320 -0.028 0.000 0.211 449 A C 0.693 178.122 177.584 -0.259 0.000 1.207 449 A CA 2.547 54.488 52.037 -0.160 0.000 0.620 449 A CB -0.228 18.599 19.000 -0.289 0.000 0.860 449 A HN 2.346 nan 8.150 nan 0.000 0.450 450 Y N -3.304 116.540 120.300 -0.759 0.000 2.851 450 Y HA 0.445 4.978 4.550 -0.029 0.000 0.359 450 Y C -0.106 175.114 175.900 -1.132 0.000 1.231 450 Y CA -1.357 56.192 58.100 -0.918 0.000 1.106 450 Y CB -0.161 38.077 38.460 -0.370 0.000 1.409 450 Y HN 0.229 nan 8.280 nan 0.000 0.454 451 S N 1.230 116.694 115.700 -0.392 0.000 2.558 451 S HA 0.640 5.093 4.470 -0.028 0.000 0.291 451 S C -0.073 174.536 174.600 0.015 0.000 1.306 451 S CA 0.367 58.479 58.200 -0.146 0.000 1.056 451 S CB 0.506 63.744 63.200 0.063 0.000 0.836 451 S HN 1.816 nan 8.310 nan 0.000 0.504 452 A N 1.628 124.459 122.820 0.018 0.000 2.604 452 A HA 0.624 4.927 4.320 -0.028 0.000 0.295 452 A C -0.817 176.820 177.584 0.089 0.000 1.067 452 A CA -0.886 51.226 52.037 0.126 0.000 0.683 452 A CB 1.007 20.088 19.000 0.135 0.000 1.281 452 A HN 1.006 nan 8.150 nan 0.000 0.407 453 C N 1.281 120.673 119.300 0.154 0.000 2.303 453 C HA 0.659 5.103 4.460 -0.028 0.000 0.326 453 C C 0.126 175.285 174.990 0.282 0.000 1.285 453 C CA -0.413 58.681 59.018 0.128 0.000 1.675 453 C CB -1.013 26.780 27.740 0.089 0.000 2.289 453 C HN 0.637 nan 8.230 nan 0.000 0.512 454 F N 3.592 123.536 119.950 -0.010 0.000 2.411 454 F HA 0.380 4.889 4.527 -0.029 0.000 0.324 454 F C -1.549 174.214 175.800 -0.063 0.000 1.086 454 F CA -2.540 55.402 58.000 -0.097 0.000 1.028 454 F CB 1.038 39.854 39.000 -0.307 0.000 1.284 454 F HN 0.296 nan 8.300 nan 0.000 0.501 455 P HA 0.023 nan 4.420 nan 0.000 0.264 455 P C 0.271 177.613 177.300 0.069 0.000 1.193 455 P CA 0.736 63.874 63.100 0.063 0.000 0.763 455 P CB 0.608 32.330 31.700 0.037 0.000 0.810 456 G N 2.120 110.946 108.800 0.042 0.000 2.132 456 G HA2 -0.177 3.766 3.960 -0.028 0.000 0.234 456 G HA3 -0.177 3.766 3.960 -0.028 0.000 0.234 456 G C -0.506 174.431 174.900 0.062 0.000 0.989 456 G CA -0.338 44.789 45.100 0.046 0.000 0.676 456 G HN 0.516 nan 8.290 nan 0.000 0.522 457 D N 1.071 121.510 120.400 0.064 0.000 2.274 457 D HA 0.508 5.131 4.640 -0.028 0.000 0.239 457 D C 0.352 176.673 176.300 0.035 0.000 1.104 457 D CA 0.982 55.026 54.000 0.074 0.000 0.840 457 D CB 0.957 41.818 40.800 0.103 0.000 1.100 457 D HN 0.468 nan 8.370 nan 0.000 0.477 458 D N 3.309 123.726 120.400 0.027 0.000 2.500 458 D HA 0.179 4.802 4.640 -0.028 0.000 0.219 458 D C -1.631 174.670 176.300 0.002 0.000 1.137 458 D CA -1.334 52.671 54.000 0.008 0.000 0.946 458 D CB 0.690 nan 40.800 nan 0.000 1.022 458 D HN 0.170 nan 8.370 nan 0.000 0.518 459 P HA -0.105 nan 4.420 nan 0.000 0.230 459 P C 1.594 178.885 177.300 -0.015 0.000 1.158 459 P CA 0.437 63.539 63.100 0.003 0.000 0.769 459 P CB 0.349 32.063 31.700 0.023 0.000 0.807 460 V N 0.342 120.247 119.914 -0.015 0.000 2.626 460 V HA -0.180 3.923 4.120 -0.028 0.000 0.252 460 V C 2.111 178.182 176.094 -0.038 0.000 1.067 460 V CA 1.930 64.216 62.300 -0.022 0.000 1.081 460 V CB -1.367 30.447 31.823 -0.014 0.000 0.686 460 V HN 0.058 nan 8.190 nan 0.000 0.468 461 D N 0.034 120.408 120.400 -0.042 0.000 2.088 461 D HA -0.211 4.412 4.640 -0.028 0.000 0.191 461 D C 2.023 178.263 176.300 -0.101 0.000 0.992 461 D CA 1.686 55.648 54.000 -0.063 0.000 0.831 461 D CB -0.367 40.396 40.800 -0.061 0.000 0.973 461 D HN 0.345 nan 8.370 nan 0.000 0.447 462 M N 0.571 120.100 119.600 -0.119 0.000 2.065 462 M HA -0.149 4.314 4.480 -0.028 0.000 0.259 462 M C 1.986 178.199 176.300 -0.145 0.000 1.069 462 M CA 1.279 56.474 55.300 -0.175 0.000 1.110 462 M CB -0.592 31.922 32.600 -0.143 0.000 1.328 462 M HN -0.074 nan 8.290 nan 0.000 0.405 463 V N -0.717 119.140 119.914 -0.094 0.000 2.282 463 V HA -0.310 3.793 4.120 -0.028 0.000 0.249 463 V C 2.416 178.461 176.094 -0.081 0.000 1.057 463 V CA 1.988 64.237 62.300 -0.084 0.000 1.032 463 V CB -1.186 30.603 31.823 -0.056 0.000 0.645 463 V HN 0.441 nan 8.190 nan 0.000 0.447 464 V N 0.179 120.051 119.914 -0.070 0.000 2.261 464 V HA -0.249 3.854 4.120 -0.028 0.000 0.246 464 V C 2.727 178.782 176.094 -0.065 0.000 1.047 464 V CA 2.096 64.362 62.300 -0.057 0.000 1.015 464 V CB -1.242 30.553 31.823 -0.047 0.000 0.642 464 V HN 0.563 nan 8.190 nan 0.000 0.446 465 A N -0.601 122.161 122.820 -0.098 0.000 1.908 465 A HA -0.226 4.077 4.320 -0.028 0.000 0.218 465 A C 2.253 179.779 177.584 -0.096 0.000 1.181 465 A CA 2.120 54.091 52.037 -0.110 0.000 0.627 465 A CB -0.460 18.431 19.000 -0.181 0.000 0.818 465 A HN 0.412 nan 8.150 nan 0.000 0.445 466 M N 0.435 119.947 119.600 -0.146 0.000 2.077 466 M HA -0.110 4.353 4.480 -0.028 0.000 0.261 466 M C 2.518 178.840 176.300 0.037 0.000 1.070 466 M CA 2.051 57.280 55.300 -0.118 0.000 1.125 466 M CB -1.473 30.979 32.600 -0.247 0.000 1.339 466 M HN 0.652 nan 8.290 nan 0.000 0.409 467 S N -0.174 115.513 115.700 -0.022 0.000 2.469 467 S HA -0.100 4.353 4.470 -0.028 0.000 0.238 467 S C 1.343 175.949 174.600 0.010 0.000 0.998 467 S CA 1.411 59.607 58.200 -0.007 0.000 0.957 467 S CB -0.582 62.600 63.200 -0.030 0.000 0.764 467 S HN 0.448 nan 8.310 nan 0.000 0.514 468 N N 1.122 119.834 118.700 0.020 0.000 2.356 468 N HA 0.388 5.111 4.740 -0.028 0.000 0.178 468 N C 0.814 176.350 175.510 0.044 0.000 1.075 468 N CA 0.806 53.867 53.050 0.018 0.000 0.889 468 N CB 0.515 39.003 38.487 0.002 0.000 0.999 468 N HN 0.651 nan 8.380 nan 0.000 0.464 469 G N 0.755 109.632 108.800 0.128 0.000 2.860 469 G HA2 -0.318 3.625 3.960 -0.028 0.000 0.553 469 G HA3 -0.318 3.625 3.960 -0.028 0.000 0.553 469 G C 0.360 175.351 174.900 0.152 0.000 1.439 469 G CA 0.189 45.387 45.100 0.162 0.000 0.879 469 G HN 0.245 nan 8.290 nan 0.000 0.545 470 Q N 0.140 120.018 119.800 0.130 0.000 2.079 470 Q HA 0.200 4.524 4.340 -0.028 0.000 0.200 470 Q C 1.122 177.138 176.000 0.026 0.000 0.974 470 Q CA 3.143 59.003 55.803 0.094 0.000 0.840 470 Q CB -0.009 28.760 28.738 0.052 0.000 0.898 470 Q HN 1.208 nan 8.270 nan 0.000 0.430 471 D N -4.453 115.942 120.400 -0.009 0.000 3.010 471 D HA 0.052 4.675 4.640 -0.028 0.000 0.353 471 D C 0.298 176.590 176.300 -0.012 0.000 1.415 471 D CA 0.125 54.120 54.000 -0.007 0.000 0.864 471 D CB -0.414 40.382 40.800 -0.006 0.000 1.445 471 D HN -0.074 nan 8.370 nan 0.000 0.516 472 S N -0.701 114.997 115.700 -0.003 0.000 2.423 472 S HA -0.241 4.212 4.470 -0.028 0.000 0.238 472 S C 1.371 176.011 174.600 0.067 0.000 1.028 472 S CA 1.302 59.518 58.200 0.026 0.000 1.000 472 S CB -0.487 62.721 63.200 0.013 0.000 0.797 472 S HN 0.542 nan 8.310 nan 0.000 0.487 473 R N -0.344 120.150 120.500 -0.010 0.000 2.419 473 R HA 0.460 4.783 4.340 -0.028 0.000 0.235 473 R C -0.261 176.021 176.300 -0.030 0.000 0.899 473 R CA 0.019 56.104 56.100 -0.025 0.000 1.048 473 R CB 0.496 30.651 30.300 -0.242 0.000 1.182 473 R HN 0.379 nan 8.270 nan 0.000 0.544 474 I N 2.905 123.425 120.570 -0.082 0.000 2.347 474 I HA 0.255 4.408 4.170 -0.028 0.000 0.283 474 I C -0.113 175.767 176.117 -0.396 0.000 1.058 474 I CA -0.564 60.631 61.300 -0.175 0.000 1.202 474 I CB 0.490 38.438 38.000 -0.087 0.000 1.386 474 I HN -0.113 nan 8.210 nan 0.000 0.475 475 R N 5.179 125.411 120.500 -0.447 0.000 2.700 475 R HA 0.697 5.020 4.340 -0.028 0.000 0.253 475 R C -1.039 174.726 176.300 -0.892 0.000 1.091 475 R CA -0.869 54.917 56.100 -0.522 0.000 1.104 475 R CB 1.257 31.425 30.300 -0.219 0.000 1.202 475 R HN 0.250 nan 8.270 nan 0.000 0.532 476 F N -0.822 119.105 119.950 -0.038 0.000 2.569 476 F HA 0.663 5.173 4.527 -0.028 0.000 0.312 476 F C -0.178 175.560 175.800 -0.103 0.000 1.109 476 F CA -0.859 57.105 58.000 -0.060 0.000 0.919 476 F CB 2.428 41.370 39.000 -0.096 0.000 1.211 476 F HN 0.570 nan 8.300 nan 0.000 0.446 477 A N 1.752 124.634 122.820 0.103 0.000 2.556 477 A HA 0.996 5.300 4.320 -0.028 0.000 0.294 477 A C -0.479 177.109 177.584 0.007 0.000 1.091 477 A CA -0.346 51.694 52.037 0.004 0.000 0.704 477 A CB 1.925 20.922 19.000 -0.005 0.000 1.300 477 A HN 1.598 nan 8.150 nan 0.000 0.406 478 G N 0.146 108.935 108.800 -0.019 0.000 2.333 478 G HA2 0.453 4.396 3.960 -0.028 0.000 0.330 478 G HA3 0.453 4.396 3.960 -0.028 0.000 0.330 478 G C -0.064 174.880 174.900 0.072 0.000 1.465 478 G CA 0.334 45.490 45.100 0.093 0.000 0.996 478 G HN 1.506 nan 8.290 nan 0.000 0.655 479 E N -0.209 120.098 120.200 0.177 0.000 2.339 479 E HA -0.263 4.070 4.350 -0.028 0.000 0.201 479 E C 1.588 178.268 176.600 0.133 0.000 1.015 479 E CA 2.393 58.852 56.400 0.098 0.000 0.841 479 E CB -0.313 29.416 29.700 0.048 0.000 0.754 479 E HN 0.805 nan 8.360 nan 0.000 0.508 480 H N -0.322 118.758 119.070 0.017 0.000 2.592 480 H HA 0.174 4.713 4.556 -0.028 0.000 0.265 480 H C 1.331 176.643 175.328 -0.028 0.000 0.955 480 H CA 1.176 57.227 56.048 0.005 0.000 1.175 480 H CB -0.491 29.296 29.762 0.042 0.000 1.433 480 H HN 0.296 nan 8.280 nan 0.000 0.537 481 T N -1.506 112.808 114.554 -0.401 0.000 3.188 481 T HA 0.333 4.666 4.350 -0.028 0.000 0.250 481 T C 0.563 175.181 174.700 -0.137 0.000 1.077 481 T CA -0.252 61.667 62.100 -0.302 0.000 0.967 481 T CB -0.395 68.291 68.868 -0.303 0.000 1.006 481 T HN 0.301 nan 8.240 nan 0.000 0.552 482 I N -0.101 120.409 120.570 -0.099 0.000 2.994 482 I HA 0.466 4.619 4.170 -0.028 0.000 0.306 482 I C 0.569 176.648 176.117 -0.063 0.000 1.195 482 I CA -1.245 60.015 61.300 -0.067 0.000 1.001 482 I CB 2.468 40.434 38.000 -0.057 0.000 1.244 482 I HN 0.034 nan 8.210 nan 0.000 0.437 483 M N 2.452 122.023 119.600 -0.050 0.000 2.384 483 M HA 0.185 4.648 4.480 -0.028 0.000 0.258 483 M C -0.226 176.035 176.300 -0.065 0.000 1.130 483 M CA 0.921 56.192 55.300 -0.049 0.000 1.187 483 M CB 0.234 32.816 32.600 -0.029 0.000 1.307 483 M HN 0.519 nan 8.290 nan 0.000 0.468 484 D N 1.142 121.519 120.400 -0.038 0.000 2.363 484 D HA 0.336 4.960 4.640 -0.028 0.000 0.263 484 D C 0.390 176.621 176.300 -0.114 0.000 1.258 484 D CA 1.523 55.511 54.000 -0.020 0.000 0.907 484 D CB 0.268 41.105 40.800 0.061 0.000 1.107 484 D HN 0.686 nan 8.370 nan 0.000 0.495 485 G N 2.489 111.156 108.800 -0.222 0.000 2.182 485 G HA2 -0.130 3.813 3.960 -0.028 0.000 0.248 485 G HA3 -0.130 3.813 3.960 -0.028 0.000 0.248 485 G C 0.417 175.035 174.900 -0.470 0.000 1.042 485 G CA -0.184 44.541 45.100 -0.625 0.000 0.775 485 G HN 0.770 nan 8.290 nan 0.000 0.501 486 A N -0.717 121.940 122.820 -0.272 0.000 2.462 486 A HA 0.709 5.012 4.320 -0.028 0.000 0.243 486 A C 2.069 179.533 177.584 -0.200 0.000 1.076 486 A CA 1.806 53.735 52.037 -0.180 0.000 0.773 486 A CB 0.246 19.185 19.000 -0.101 0.000 1.010 486 A HN 2.398 nan 8.150 nan 0.000 0.493 487 G N 0.380 109.092 108.800 -0.145 0.000 2.304 487 G HA2 -0.301 3.642 3.960 -0.028 0.000 0.252 487 G HA3 -0.301 3.642 3.960 -0.028 0.000 0.252 487 G C 0.541 175.236 174.900 -0.341 0.000 1.014 487 G CA 0.480 45.463 45.100 -0.196 0.000 0.619 487 G HN 1.150 nan 8.290 nan 0.000 0.525 488 C N 0.747 119.854 119.300 -0.321 0.000 2.443 488 C HA 0.751 5.194 4.460 -0.028 0.000 0.369 488 C C 2.367 177.235 174.990 -0.204 0.000 1.241 488 C CA 0.287 59.143 59.018 -0.270 0.000 2.413 488 C CB 1.016 28.569 27.740 -0.312 0.000 2.451 488 C HN 0.883 nan 8.230 nan 0.000 0.595 489 A N 1.118 123.891 122.820 -0.079 0.000 1.877 489 A HA -0.166 4.138 4.320 -0.028 0.000 0.216 489 A C 1.815 179.463 177.584 0.107 0.000 1.186 489 A CA 2.053 54.075 52.037 -0.025 0.000 0.620 489 A CB -0.938 18.016 19.000 -0.076 0.000 0.822 489 A HN 1.076 nan 8.150 nan 0.000 0.443 490 Y N -0.473 119.878 120.300 0.086 0.000 2.403 490 Y HA 0.137 4.670 4.550 -0.029 0.000 0.291 490 Y C 1.999 178.021 175.900 0.204 0.000 1.143 490 Y CA 0.608 58.774 58.100 0.110 0.000 1.257 490 Y CB -1.032 37.436 38.460 0.013 0.000 0.984 490 Y HN 0.080 nan 8.280 nan 0.000 0.550 491 G N 0.562 109.146 108.800 -0.359 0.000 2.403 491 G HA2 -0.106 3.837 3.960 -0.028 0.000 0.216 491 G HA3 -0.106 3.837 3.960 -0.028 0.000 0.216 491 G C 1.797 176.696 174.900 -0.002 0.000 1.154 491 G CA 0.711 45.662 45.100 -0.249 0.000 0.784 491 G HN 0.613 nan 8.290 nan 0.000 0.538 492 A N -0.050 122.786 122.820 0.027 0.000 1.969 492 A HA -0.016 4.287 4.320 -0.028 0.000 0.218 492 A C 2.080 179.762 177.584 0.163 0.000 1.169 492 A CA 1.485 53.569 52.037 0.078 0.000 0.635 492 A CB -0.617 18.426 19.000 0.072 0.000 0.810 492 A HN 0.562 nan 8.150 nan 0.000 0.445 493 W N 0.829 122.150 121.300 0.035 0.000 2.380 493 W HA -0.167 4.476 4.660 -0.028 0.000 0.317 493 W C 2.042 178.598 176.519 0.061 0.000 1.196 493 W CA 2.033 59.422 57.345 0.073 0.000 1.307 493 W CB -0.154 29.386 29.460 0.134 0.000 1.157 493 W HN 0.349 nan 8.180 nan 0.000 0.483 494 E N 0.542 120.989 120.200 0.411 0.000 2.118 494 E HA -0.235 4.098 4.350 -0.028 0.000 0.195 494 E C 2.305 178.902 176.600 -0.006 0.000 0.992 494 E CA 2.385 58.886 56.400 0.168 0.000 0.804 494 E CB -0.663 29.209 29.700 0.287 0.000 0.741 494 E HN 0.314 nan 8.360 nan 0.000 0.458 495 S N -1.036 114.675 115.700 0.018 0.000 2.382 495 S HA -0.096 4.357 4.470 -0.028 0.000 0.228 495 S C 2.230 176.790 174.600 -0.067 0.000 1.027 495 S CA 1.102 59.285 58.200 -0.029 0.000 0.991 495 S CB -0.986 62.199 63.200 -0.026 0.000 0.823 495 S HN 0.351 nan 8.310 nan 0.000 0.469 496 G N 1.965 110.714 108.800 -0.085 0.000 2.404 496 G HA2 -0.174 3.769 3.960 -0.028 0.000 0.215 496 G HA3 -0.174 3.769 3.960 -0.028 0.000 0.215 496 G C 1.522 176.306 174.900 -0.193 0.000 1.174 496 G CA 0.649 45.674 45.100 -0.126 0.000 0.780 496 G HN 0.564 nan 8.290 nan 0.000 0.537 497 R N 0.314 120.633 120.500 -0.301 0.000 2.091 497 R HA -0.067 4.256 4.340 -0.028 0.000 0.238 497 R C 2.545 178.732 176.300 -0.189 0.000 1.136 497 R CA 1.646 57.557 56.100 -0.315 0.000 0.959 497 R CB -0.345 29.676 30.300 -0.465 0.000 0.856 497 R HN 0.346 nan 8.270 nan 0.000 0.437 498 R N 0.347 120.761 120.500 -0.143 0.000 2.096 498 R HA -0.171 4.152 4.340 -0.028 0.000 0.229 498 R C 1.937 178.173 176.300 -0.106 0.000 1.134 498 R CA 2.000 58.039 56.100 -0.100 0.000 0.917 498 R CB -0.290 29.969 30.300 -0.068 0.000 0.832 498 R HN 0.219 nan 8.270 nan 0.000 0.430 499 E N 0.239 120.377 120.200 -0.103 0.000 2.130 499 E HA -0.213 4.120 4.350 -0.028 0.000 0.196 499 E C 1.786 178.299 176.600 -0.145 0.000 0.998 499 E CA 1.496 57.828 56.400 -0.114 0.000 0.806 499 E CB -0.346 29.293 29.700 -0.101 0.000 0.738 499 E HN 0.515 nan 8.360 nan 0.000 0.459 500 A N 0.443 123.177 122.820 -0.143 0.000 1.873 500 A HA -0.131 4.172 4.320 -0.028 0.000 0.215 500 A C 2.479 179.973 177.584 -0.151 0.000 1.186 500 A CA 1.972 53.919 52.037 -0.150 0.000 0.616 500 A CB -0.890 18.031 19.000 -0.132 0.000 0.823 500 A HN 0.252 nan 8.150 nan 0.000 0.442 501 T N -0.480 113.994 114.554 -0.133 0.000 2.720 501 T HA -0.200 4.133 4.350 -0.028 0.000 0.268 501 T C 2.070 176.693 174.700 -0.129 0.000 1.037 501 T CA 1.742 63.773 62.100 -0.116 0.000 1.144 501 T CB -0.282 68.526 68.868 -0.099 0.000 0.864 501 T HN 0.617 nan 8.240 nan 0.000 0.444 502 R N 0.649 121.066 120.500 -0.139 0.000 2.073 502 R HA -0.024 4.299 4.340 -0.028 0.000 0.234 502 R C 2.412 178.573 176.300 -0.231 0.000 1.134 502 R CA 1.431 57.440 56.100 -0.150 0.000 0.952 502 R CB -0.464 29.757 30.300 -0.131 0.000 0.850 502 R HN 0.378 nan 8.270 nan 0.000 0.433 503 I N 0.462 120.843 120.570 -0.315 0.000 2.226 503 I HA -0.264 3.889 4.170 -0.028 0.000 0.245 503 I C 2.550 178.432 176.117 -0.391 0.000 1.100 503 I CA 1.401 62.375 61.300 -0.544 0.000 1.374 503 I CB -0.339 37.325 38.000 -0.561 0.000 1.057 503 I HN 0.295 nan 8.210 nan 0.000 0.413 504 S N 0.366 115.922 115.700 -0.240 0.000 2.382 504 S HA -0.213 4.240 4.470 -0.028 0.000 0.228 504 S C 1.627 176.146 174.600 -0.135 0.000 1.027 504 S CA 1.702 59.810 58.200 -0.154 0.000 0.991 504 S CB -0.251 62.886 63.200 -0.105 0.000 0.823 504 S HN 0.378 nan 8.310 nan 0.000 0.469 505 D N 1.050 121.367 120.400 -0.138 0.000 2.117 505 D HA 0.001 4.624 4.640 -0.028 0.000 0.198 505 D C 1.925 178.149 176.300 -0.128 0.000 0.982 505 D CA 0.798 54.734 54.000 -0.107 0.000 0.828 505 D CB -0.366 40.382 40.800 -0.088 0.000 0.967 505 D HN 0.366 nan 8.370 nan 0.000 0.464 506 L N 0.246 121.371 121.223 -0.164 0.000 2.093 506 L HA -0.082 4.241 4.340 -0.028 0.000 0.208 506 L C 2.290 179.078 176.870 -0.137 0.000 1.085 506 L CA 0.598 55.355 54.840 -0.138 0.000 0.755 506 L CB -0.215 41.757 42.059 -0.145 0.000 0.904 506 L HN 0.027 nan 8.230 nan 0.000 0.435 507 L N -0.636 120.490 121.223 -0.162 0.000 2.465 507 L HA -0.139 4.184 4.340 -0.028 0.000 0.224 507 L C 2.344 179.090 176.870 -0.205 0.000 1.145 507 L CA 0.491 55.244 54.840 -0.145 0.000 0.834 507 L CB -0.388 41.602 42.059 -0.116 0.000 0.944 507 L HN 0.162 nan 8.230 nan 0.000 0.451 508 K N 0.913 121.203 120.400 -0.183 0.000 2.211 508 K HA -0.077 4.226 4.320 -0.028 0.000 0.203 508 K C 1.932 178.274 176.600 -0.430 0.000 1.050 508 K CA 0.889 57.066 56.287 -0.183 0.000 0.945 508 K CB -0.050 32.393 32.500 -0.095 0.000 0.732 508 K HN 0.232 nan 8.250 nan 0.000 0.451 509 L N 0.222 121.153 121.223 -0.486 0.000 2.353 509 L HA -0.149 4.174 4.340 -0.028 0.000 0.220 509 L C 2.701 179.260 176.870 -0.518 0.000 1.133 509 L CA 1.386 55.801 54.840 -0.709 0.000 0.798 509 L CB -0.972 40.887 42.059 -0.334 0.000 0.922 509 L HN 0.404 nan 8.230 nan 0.000 0.445 510 E N -0.175 119.769 120.200 -0.427 0.000 2.058 510 E HA -0.228 4.105 4.350 -0.028 0.000 0.194 510 E C 1.486 177.865 176.600 -0.370 0.000 0.997 510 E CA 1.499 57.652 56.400 -0.411 0.000 0.801 510 E CB -0.819 nan 29.700 nan 0.000 0.746 510 E HN 0.598 nan 8.360 nan 0.000 0.450 511 H N 0.084 119.099 119.070 -0.092 0.000 2.770 511 H HA 0.241 4.780 4.556 -0.028 0.000 0.315 511 H C -0.656 174.710 175.328 0.063 0.000 1.127 511 H CA -0.163 55.865 56.048 -0.033 0.000 1.155 511 H CB -0.686 29.060 29.762 -0.026 0.000 1.397 511 H HN 0.375 nan 8.280 nan 0.000 0.538 512 H N 0.791 119.815 119.070 -0.076 0.000 2.504 512 H HA 0.191 4.730 4.556 -0.028 0.000 0.322 512 H C 0.811 176.101 175.328 -0.063 0.000 1.055 512 H CA -0.665 55.327 56.048 -0.092 0.000 1.231 512 H CB 0.374 30.114 29.762 -0.037 0.000 1.417 512 H HN 0.296 nan 8.280 nan 0.000 0.472 513 H N 0.000 119.134 119.070 0.107 0.000 2.539 513 H HA 0.000 4.539 4.556 -0.028 0.000 0.296 513 H CA 0.000 56.085 56.048 0.061 0.000 1.023 513 H CB 0.000 29.778 29.762 0.026 0.000 1.292 513 H HN 0.000 nan 8.280 nan 0.000 0.496