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 3bnu_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 0.000 174.564 174.600 -0.060 0.000 1.055 5 S CA 0.000 58.174 58.200 -0.043 0.000 1.107 5 S CB 0.000 63.173 63.200 -0.046 0.000 0.593 6 P HA 0.525 nan 4.420 nan 0.000 0.271 6 P C -0.444 176.824 177.300 -0.053 0.000 1.226 6 P CA 0.204 63.246 63.100 -0.096 0.000 0.765 6 P CB 0.759 32.411 31.700 -0.080 0.000 0.835 7 A N 4.566 127.352 122.820 -0.057 0.000 2.567 7 A HA 0.035 4.355 4.320 0.001 0.000 0.240 7 A C 0.564 178.195 177.584 0.078 0.000 1.053 7 A CA 0.163 52.222 52.037 0.036 0.000 0.755 7 A CB -0.163 18.905 19.000 0.112 0.000 0.978 7 A HN 0.436 nan 8.150 nan 0.000 0.507 8 K N 2.858 123.281 120.400 0.038 0.000 2.258 8 K HA 0.353 4.673 4.320 0.001 0.000 0.284 8 K C -0.313 176.288 176.600 0.002 0.000 1.051 8 K CA -0.239 56.058 56.287 0.015 0.000 0.923 8 K CB 1.152 33.651 32.500 -0.002 0.000 1.046 8 K HN 0.599 nan 8.250 nan 0.000 0.474 9 K N 2.298 122.682 120.400 -0.026 0.000 2.443 9 K HA 0.264 4.584 4.320 0.001 0.000 0.251 9 K C 0.586 177.129 176.600 -0.094 0.000 0.972 9 K CA -0.849 55.386 56.287 -0.087 0.000 0.833 9 K CB 1.987 34.397 32.500 -0.150 0.000 1.317 9 K HN 0.155 nan 8.250 nan 0.000 0.441 10 K N 0.110 120.439 120.400 -0.119 0.000 2.021 10 K HA 0.078 4.398 4.320 0.001 0.000 0.205 10 K C 0.246 176.810 176.600 -0.059 0.000 1.047 10 K CA 0.983 57.228 56.287 -0.070 0.000 0.943 10 K CB 0.341 32.803 32.500 -0.064 0.000 0.725 10 K HN 0.330 nan 8.250 nan 0.000 0.439 11 V N 1.386 121.203 119.914 -0.163 0.000 2.623 11 V HA 0.388 4.509 4.120 0.001 0.000 0.304 11 V C -0.780 175.166 176.094 -0.248 0.000 1.054 11 V CA -0.801 61.409 62.300 -0.150 0.000 0.882 11 V CB 1.960 33.685 31.823 -0.163 0.000 1.002 11 V HN 0.036 nan 8.190 nan 0.000 0.424 12 I N 5.403 125.859 120.570 -0.191 0.000 2.362 12 I HA 0.488 4.659 4.170 0.001 0.000 0.289 12 I C -0.608 175.401 176.117 -0.179 0.000 0.994 12 I CA -0.377 60.785 61.300 -0.230 0.000 1.158 12 I CB 1.660 39.530 38.000 -0.217 0.000 1.315 12 I HN 0.454 nan 8.210 nan 0.000 0.451 13 I N 7.181 127.637 120.570 -0.190 0.000 2.321 13 I HA 0.297 4.468 4.170 0.001 0.000 0.291 13 I C -0.458 175.599 176.117 -0.100 0.000 0.998 13 I CA -0.652 60.567 61.300 -0.134 0.000 1.227 13 I CB 1.418 39.332 38.000 -0.143 0.000 1.368 13 I HN 0.359 nan 8.210 nan 0.000 0.466 14 I N 5.993 126.528 120.570 -0.058 0.000 2.304 14 I HA 0.592 4.762 4.170 0.001 0.000 0.291 14 I C 0.575 176.695 176.117 0.004 0.000 1.018 14 I CA 0.042 61.323 61.300 -0.032 0.000 1.260 14 I CB 0.911 38.907 38.000 -0.007 0.000 1.390 14 I HN 0.758 nan 8.210 nan 0.000 0.475 15 G N 4.524 113.320 108.800 -0.006 0.000 3.067 15 G HA2 0.242 4.202 3.960 0.001 0.000 0.686 15 G HA3 0.242 4.202 3.960 0.001 0.000 0.686 15 G C -0.289 174.630 174.900 0.031 0.000 1.119 15 G CA -0.463 44.647 45.100 0.016 0.000 0.790 15 G HN 0.963 nan 8.290 nan 0.000 0.605 16 A N 1.711 124.557 122.820 0.043 0.000 2.842 16 A HA 0.768 5.089 4.320 0.001 0.000 0.298 16 A C 1.445 179.084 177.584 0.091 0.000 1.293 16 A CA 1.148 53.232 52.037 0.078 0.000 0.959 16 A CB -0.260 18.795 19.000 0.093 0.000 1.119 16 A HN 2.143 nan 8.150 nan 0.000 0.564 17 G N -0.701 108.148 108.800 0.082 0.000 2.516 17 G HA2 0.327 4.288 3.960 0.001 0.000 0.276 17 G HA3 0.327 4.288 3.960 0.001 0.000 0.276 17 G C 1.001 175.960 174.900 0.099 0.000 1.390 17 G CA -0.126 45.024 45.100 0.083 0.000 1.050 17 G HN 0.329 nan 8.290 nan 0.000 0.519 18 I N -0.190 120.439 120.570 0.098 0.000 2.394 18 I HA -0.076 4.094 4.170 0.001 0.000 0.251 18 I C 2.870 179.075 176.117 0.147 0.000 1.136 18 I CA 1.491 62.883 61.300 0.153 0.000 1.425 18 I CB -0.038 38.069 38.000 0.177 0.000 1.079 18 I HN 0.459 nan 8.210 nan 0.000 0.425 19 A N 0.550 123.434 122.820 0.107 0.000 1.865 19 A HA -0.162 4.158 4.320 0.001 0.000 0.217 19 A C 2.357 179.956 177.584 0.024 0.000 1.191 19 A CA 1.859 53.934 52.037 0.065 0.000 0.623 19 A CB -1.621 17.420 19.000 0.068 0.000 0.826 19 A HN 0.489 nan 8.150 nan 0.000 0.444 20 G N -0.459 108.365 108.800 0.040 0.000 2.422 20 G HA2 -0.118 3.843 3.960 0.001 0.000 0.218 20 G HA3 -0.118 3.843 3.960 0.001 0.000 0.218 20 G C 1.571 176.468 174.900 -0.004 0.000 1.146 20 G CA 1.003 46.108 45.100 0.007 0.000 0.769 20 G HN 0.422 nan 8.290 nan 0.000 0.547 21 L N -0.094 121.175 121.223 0.076 0.000 2.056 21 L HA -0.005 4.335 4.340 0.001 0.000 0.207 21 L C 2.749 179.680 176.870 0.102 0.000 1.078 21 L CA 1.369 56.306 54.840 0.162 0.000 0.749 21 L CB -0.236 41.981 42.059 0.262 0.000 0.901 21 L HN 0.154 nan 8.230 nan 0.000 0.433 22 K N 0.672 121.095 120.400 0.039 0.000 2.097 22 K HA -0.089 4.232 4.320 0.001 0.000 0.205 22 K C 1.988 178.500 176.600 -0.146 0.000 1.050 22 K CA 1.431 57.659 56.287 -0.098 0.000 0.938 22 K CB -0.318 31.967 32.500 -0.357 0.000 0.718 22 K HN 0.212 nan 8.250 nan 0.000 0.442 23 A N 0.691 123.433 122.820 -0.130 0.000 1.865 23 A HA -0.099 4.221 4.320 0.001 0.000 0.217 23 A C 2.417 179.925 177.584 -0.127 0.000 1.191 23 A CA 2.264 54.220 52.037 -0.135 0.000 0.623 23 A CB -1.231 17.697 19.000 -0.119 0.000 0.826 23 A HN 0.419 nan 8.150 nan 0.000 0.444 24 A N -0.964 121.738 122.820 -0.196 0.000 1.902 24 A HA -0.115 4.205 4.320 0.001 0.000 0.217 24 A C 2.498 179.998 177.584 -0.141 0.000 1.181 24 A CA 2.256 54.113 52.037 -0.300 0.000 0.623 24 A CB -1.057 17.353 19.000 -0.982 0.000 0.818 24 A HN 0.597 nan 8.150 nan 0.000 0.443 25 S N -1.061 114.616 115.700 -0.039 0.000 2.370 25 S HA -0.157 4.313 4.470 0.001 0.000 0.226 25 S C 2.065 176.736 174.600 0.119 0.000 1.033 25 S CA 2.298 60.610 58.200 0.187 0.000 1.011 25 S CB -0.569 62.759 63.200 0.214 0.000 0.852 25 S HN 0.628 nan 8.310 nan 0.000 0.457 26 T N 2.644 117.208 114.554 0.017 0.000 2.777 26 T HA 0.076 4.427 4.350 0.001 0.000 0.266 26 T C 1.751 176.469 174.700 0.029 0.000 1.040 26 T CA 1.299 63.391 62.100 -0.013 0.000 1.141 26 T CB -0.372 68.437 68.868 -0.100 0.000 0.868 26 T HN 0.306 nan 8.240 nan 0.000 0.444 27 L N 0.218 121.475 121.223 0.056 0.000 2.012 27 L HA -0.191 4.150 4.340 0.001 0.000 0.210 27 L C 2.587 179.580 176.870 0.207 0.000 1.073 27 L CA 1.832 56.735 54.840 0.104 0.000 0.748 27 L CB -0.618 41.508 42.059 0.112 0.000 0.891 27 L HN 0.343 nan 8.230 nan 0.000 0.431 28 H N -0.075 119.105 119.070 0.184 0.000 2.319 28 H HA -0.243 4.313 4.556 0.001 0.000 0.299 28 H C 2.311 177.671 175.328 0.055 0.000 1.092 28 H CA 2.151 58.265 56.048 0.110 0.000 1.302 28 H CB -0.063 29.664 29.762 -0.058 0.000 1.373 28 H HN 0.280 nan 8.280 nan 0.000 0.497 29 Q N -0.146 119.665 119.800 0.018 0.000 2.152 29 Q HA -0.167 4.173 4.340 0.001 0.000 0.206 29 Q C 0.786 176.741 176.000 -0.075 0.000 0.985 29 Q CA 1.749 57.521 55.803 -0.053 0.000 0.863 29 Q CB 0.028 28.776 28.738 0.016 0.000 0.904 29 Q HN 0.487 nan 8.270 nan 0.000 0.422 30 N N -0.676 118.003 118.700 -0.034 0.000 2.362 30 N HA 0.095 4.835 4.740 0.001 0.000 0.204 30 N C 0.327 175.822 175.510 -0.024 0.000 1.166 30 N CA 0.895 53.928 53.050 -0.028 0.000 0.831 30 N CB 0.790 39.267 38.487 -0.017 0.000 1.008 30 N HN 0.443 nan 8.380 nan 0.000 0.472 31 G N 0.495 109.259 108.800 -0.059 0.000 2.153 31 G HA2 -0.249 3.712 3.960 0.001 0.000 0.252 31 G HA3 -0.249 3.712 3.960 0.001 0.000 0.252 31 G C -0.020 174.918 174.900 0.062 0.000 0.994 31 G CA -0.258 44.822 45.100 -0.034 0.000 0.698 31 G HN 0.229 nan 8.290 nan 0.000 0.521 32 I N 0.656 121.295 120.570 0.115 0.000 2.474 32 I HA 0.332 4.503 4.170 0.001 0.000 0.287 32 I C 0.799 177.089 176.117 0.289 0.000 1.048 32 I CA 0.031 61.419 61.300 0.146 0.000 1.383 32 I CB 0.906 38.959 38.000 0.089 0.000 1.412 32 I HN 0.335 nan 8.210 nan 0.000 0.531 33 Q N 3.513 123.445 119.800 0.221 0.000 2.486 33 Q HA 0.342 4.682 4.340 0.001 0.000 0.274 33 Q C -0.776 175.279 176.000 0.092 0.000 1.076 33 Q CA -0.878 55.117 55.803 0.320 0.000 0.872 33 Q CB 1.482 30.368 28.738 0.247 0.000 1.383 33 Q HN 0.513 nan 8.270 nan 0.000 0.478 34 D N -0.283 120.179 120.400 0.104 0.000 2.697 34 D HA -0.159 4.482 4.640 0.001 0.000 0.238 34 D C -0.779 175.258 176.300 -0.438 0.000 1.152 34 D CA 0.499 54.431 54.000 -0.112 0.000 0.666 34 D CB -1.753 39.030 40.800 -0.030 0.000 1.037 34 D HN 0.375 nan 8.370 nan 0.000 0.423 35 C N -0.159 118.490 119.300 -1.085 0.000 2.564 35 C HA 0.862 5.323 4.460 0.001 0.000 0.381 35 C C 0.293 174.603 174.990 -1.133 0.000 1.297 35 C CA -0.706 57.594 59.018 -1.196 0.000 1.846 35 C CB 1.550 28.351 27.740 -1.567 0.000 2.198 35 C HN 0.484 nan 8.230 nan 0.000 0.507 36 L N 0.259 121.049 121.223 -0.722 0.000 2.556 36 L HA 0.666 5.007 4.340 0.001 0.000 0.257 36 L C -1.254 175.445 176.870 -0.285 0.000 0.955 36 L CA -0.059 54.518 54.840 -0.438 0.000 0.850 36 L CB 2.080 43.868 42.059 -0.452 0.000 1.398 36 L HN 0.472 nan 8.230 nan 0.000 0.412 37 V N 4.884 124.721 119.914 -0.128 0.000 2.376 37 V HA 0.502 4.622 4.120 0.001 0.000 0.287 37 V C -0.500 175.561 176.094 -0.055 0.000 1.015 37 V CA -0.493 61.762 62.300 -0.075 0.000 0.834 37 V CB 1.522 33.359 31.823 0.024 0.000 1.001 37 V HN 0.501 nan 8.190 nan 0.000 0.428 38 L N 4.293 125.462 121.223 -0.091 0.000 2.287 38 L HA 0.705 5.045 4.340 0.001 0.000 0.287 38 L C -0.258 176.581 176.870 -0.050 0.000 1.022 38 L CA -0.398 54.397 54.840 -0.076 0.000 0.814 38 L CB 1.631 43.623 42.059 -0.113 0.000 1.217 38 L HN 0.600 nan 8.230 nan 0.000 0.420 39 E N 2.194 122.370 120.200 -0.040 0.000 2.199 39 E HA 0.520 4.871 4.350 0.001 0.000 0.265 39 E C 0.213 176.742 176.600 -0.118 0.000 0.882 39 E CA -0.323 56.040 56.400 -0.062 0.000 0.759 39 E CB 2.067 31.755 29.700 -0.019 0.000 1.148 39 E HN 0.560 nan 8.360 nan 0.000 0.412 40 A N 5.464 128.140 122.820 -0.241 0.000 1.877 40 A HA -0.056 4.265 4.320 0.001 0.000 0.216 40 A C 1.117 178.503 177.584 -0.330 0.000 1.186 40 A CA 0.995 52.794 52.037 -0.396 0.000 0.620 40 A CB -0.288 18.165 19.000 -0.912 0.000 0.822 40 A HN 0.622 nan 8.150 nan 0.000 0.443 41 R N -0.046 120.278 120.500 -0.294 0.000 2.822 41 R HA 0.185 4.525 4.340 0.001 0.000 0.277 41 R C -0.086 176.200 176.300 -0.023 0.000 1.102 41 R CA 0.419 56.468 56.100 -0.085 0.000 1.207 41 R CB 0.019 30.320 30.300 0.001 0.000 1.139 41 R HN 0.555 nan 8.270 nan 0.000 0.557 42 D N -0.294 120.117 120.400 0.019 0.000 2.395 42 D HA 0.033 4.673 4.640 0.001 0.000 0.226 42 D C -0.088 176.228 176.300 0.027 0.000 1.146 42 D CA -0.241 53.772 54.000 0.021 0.000 0.830 42 D CB 0.047 40.863 40.800 0.026 0.000 0.958 42 D HN 0.426 nan 8.370 nan 0.000 0.501 43 R N -1.268 119.252 120.500 0.033 0.000 2.734 43 R HA 0.614 4.955 4.340 0.001 0.000 0.271 43 R C -0.879 175.453 176.300 0.053 0.000 1.021 43 R CA -1.135 54.991 56.100 0.043 0.000 0.893 43 R CB 1.053 31.384 30.300 0.052 0.000 1.244 43 R HN -0.069 nan 8.270 nan 0.000 0.464 44 V N -1.647 118.304 119.914 0.061 0.000 3.234 44 V HA 0.869 4.989 4.120 0.001 0.000 0.317 44 V C 0.939 177.084 176.094 0.086 0.000 1.081 44 V CA 0.409 62.755 62.300 0.077 0.000 1.037 44 V CB 0.809 32.685 31.823 0.088 0.000 1.148 44 V HN 1.199 nan 8.190 nan 0.000 0.453 45 G N -0.747 108.109 108.800 0.093 0.000 2.313 45 G HA2 0.116 4.076 3.960 0.001 0.000 0.215 45 G HA3 0.116 4.076 3.960 0.001 0.000 0.215 45 G C 1.668 176.616 174.900 0.079 0.000 1.023 45 G CA 0.759 45.910 45.100 0.086 0.000 0.626 45 G HN 2.684 nan 8.290 nan 0.000 0.503 46 G N 0.627 109.494 108.800 0.112 0.000 2.629 46 G HA2 -0.385 3.576 3.960 0.001 0.000 0.313 46 G HA3 -0.385 3.576 3.960 0.001 0.000 0.313 46 G C 0.812 175.790 174.900 0.130 0.000 1.217 46 G CA 1.323 46.501 45.100 0.131 0.000 0.994 46 G HN 1.248 nan 8.290 nan 0.000 0.549 47 R N 0.226 120.678 120.500 -0.080 0.000 2.343 47 R HA 0.254 4.595 4.340 0.001 0.000 0.202 47 R C 0.320 176.448 176.300 -0.286 0.000 1.023 47 R CA 0.148 55.978 56.100 -0.450 0.000 1.084 47 R CB -0.344 29.620 30.300 -0.560 0.000 0.956 47 R HN 0.310 nan 8.270 nan 0.000 0.478 48 L N 1.455 122.624 121.223 -0.090 0.000 2.318 48 L HA 0.334 4.675 4.340 0.001 0.000 0.277 48 L C -0.586 176.328 176.870 0.074 0.000 1.008 48 L CA -0.391 54.385 54.840 -0.106 0.000 0.846 48 L CB 1.428 43.391 42.059 -0.160 0.000 1.220 48 L HN 0.078 nan 8.230 nan 0.000 0.423 49 Q N 2.466 122.357 119.800 0.151 0.000 2.268 49 Q HA 0.427 4.767 4.340 0.001 0.000 0.266 49 Q C -1.519 174.565 176.000 0.140 0.000 1.006 49 Q CA -0.514 55.399 55.803 0.182 0.000 0.824 49 Q CB 2.586 31.493 28.738 0.282 0.000 1.306 49 Q HN 0.478 nan 8.270 nan 0.000 0.424 50 T N 3.472 118.083 114.554 0.096 0.000 2.758 50 T HA 0.505 4.855 4.350 0.001 0.000 0.285 50 T C -0.062 174.678 174.700 0.067 0.000 0.981 50 T CA -0.495 61.649 62.100 0.074 0.000 0.965 50 T CB 0.906 69.798 68.868 0.041 0.000 0.927 50 T HN 0.495 nan 8.240 nan 0.000 0.448 51 V N 1.347 121.314 119.914 0.088 0.000 3.093 51 V HA 0.837 4.958 4.120 0.001 0.000 0.320 51 V C 0.011 176.168 176.094 0.105 0.000 1.093 51 V CA -0.751 61.596 62.300 0.078 0.000 1.016 51 V CB 1.700 33.560 31.823 0.062 0.000 1.096 51 V HN 0.734 nan 8.190 nan 0.000 0.452 52 T N 1.639 116.242 114.554 0.082 0.000 2.855 52 T HA 0.798 5.149 4.350 0.001 0.000 0.281 52 T C 0.315 175.090 174.700 0.125 0.000 1.007 52 T CA 0.363 62.515 62.100 0.087 0.000 1.009 52 T CB 1.405 70.294 68.868 0.034 0.000 0.983 52 T HN 1.309 nan 8.240 nan 0.000 0.455 53 G N 0.447 109.364 108.800 0.194 0.000 3.264 53 G HA2 0.438 4.398 3.960 0.001 0.000 0.168 53 G HA3 0.438 4.398 3.960 0.001 0.000 0.168 53 G C -1.025 173.991 174.900 0.194 0.000 1.145 53 G CA -0.683 44.540 45.100 0.206 0.000 0.855 53 G HN 0.601 nan 8.290 nan 0.000 0.629 54 Y N 1.781 122.135 120.300 0.090 0.000 2.865 54 Y HA 0.083 4.633 4.550 0.001 0.000 0.338 54 Y C 1.369 177.305 175.900 0.061 0.000 1.269 54 Y CA 1.558 59.692 58.100 0.057 0.000 1.585 54 Y CB -0.122 38.366 38.460 0.047 0.000 1.224 54 Y HN 0.686 nan 8.280 nan 0.000 0.554 55 Q N 3.583 123.121 119.800 -0.437 0.000 2.494 55 Q HA -0.267 4.073 4.340 0.001 0.000 0.266 55 Q C 1.011 176.923 176.000 -0.147 0.000 1.053 55 Q CA 0.867 56.448 55.803 -0.371 0.000 1.029 55 Q CB -1.931 26.517 28.738 -0.483 0.000 1.423 55 Q HN 1.381 nan 8.270 nan 0.000 0.516 56 G N -0.017 108.739 108.800 -0.073 0.000 2.143 56 G HA2 -0.357 3.604 3.960 0.001 0.000 0.249 56 G HA3 -0.357 3.604 3.960 0.001 0.000 0.249 56 G C 0.081 174.957 174.900 -0.040 0.000 0.981 56 G CA 0.341 45.415 45.100 -0.043 0.000 0.665 56 G HN 0.340 nan 8.290 nan 0.000 0.528 57 R N 0.470 120.964 120.500 -0.011 0.000 2.590 57 R HA 0.415 4.755 4.340 0.001 0.000 0.274 57 R C 0.369 176.532 176.300 -0.228 0.000 1.061 57 R CA 0.273 56.311 56.100 -0.103 0.000 1.081 57 R CB 0.544 30.855 30.300 0.019 0.000 0.984 57 R HN 0.209 nan 8.270 nan 0.000 0.448 58 K N 2.879 123.019 120.400 -0.434 0.000 2.164 58 K HA 0.385 4.705 4.320 0.001 0.000 0.258 58 K C -1.090 175.105 176.600 -0.674 0.000 0.951 58 K CA -0.645 55.427 56.287 -0.358 0.000 0.844 58 K CB 1.711 34.104 32.500 -0.177 0.000 1.099 58 K HN 0.423 nan 8.250 nan 0.000 0.435 59 Y N -0.198 120.115 120.300 0.023 0.000 2.513 59 Y HA 0.145 4.695 4.550 0.001 0.000 0.340 59 Y C -0.492 175.406 175.900 -0.003 0.000 1.055 59 Y CA -1.147 56.966 58.100 0.022 0.000 1.020 59 Y CB 1.627 40.106 38.460 0.032 0.000 1.301 59 Y HN 0.456 nan 8.280 nan 0.000 0.453 60 D N 2.515 122.974 120.400 0.098 0.000 2.325 60 D HA 0.123 4.764 4.640 0.001 0.000 0.251 60 D C 0.433 176.799 176.300 0.110 0.000 1.196 60 D CA 0.237 54.270 54.000 0.055 0.000 0.866 60 D CB 1.842 42.609 40.800 -0.055 0.000 1.101 60 D HN 0.541 nan 8.370 nan 0.000 0.476 61 I N 2.439 123.108 120.570 0.165 0.000 3.419 61 I HA 0.115 4.285 4.170 0.001 0.000 0.286 61 I C 1.252 177.628 176.117 0.432 0.000 1.268 61 I CA 0.376 61.802 61.300 0.210 0.000 1.414 61 I CB 0.212 38.279 38.000 0.113 0.000 1.074 61 I HN 0.393 nan 8.210 nan 0.000 0.457 62 G N -0.528 108.489 108.800 0.362 0.000 3.271 62 G HA2 0.573 4.533 3.960 0.001 0.000 0.174 62 G HA3 0.573 4.533 3.960 0.001 0.000 0.174 62 G C -0.205 174.690 174.900 -0.008 0.000 1.385 62 G CA 0.026 45.243 45.100 0.196 0.000 0.979 62 G HN 0.339 nan 8.290 nan 0.000 0.610 63 A N -0.726 121.981 122.820 -0.189 0.000 2.531 63 A HA 0.488 4.809 4.320 0.001 0.000 0.236 63 A C 1.065 178.596 177.584 -0.087 0.000 1.062 63 A CA 1.032 52.934 52.037 -0.225 0.000 0.760 63 A CB 0.606 19.251 19.000 -0.591 0.000 0.995 63 A HN 0.548 nan 8.150 nan 0.000 0.501 64 S N 0.542 116.205 115.700 -0.060 0.000 2.818 64 S HA 0.201 4.672 4.470 0.001 0.000 0.251 64 S C 0.064 174.284 174.600 -0.634 0.000 1.083 64 S CA -0.263 57.663 58.200 -0.456 0.000 0.871 64 S CB 0.096 62.727 63.200 -0.948 0.000 0.831 64 S HN 0.739 nan 8.310 nan 0.000 0.470 65 W N 2.013 123.209 121.300 -0.173 0.000 2.647 65 W HA 0.479 5.139 4.660 0.001 0.000 0.353 65 W C -0.374 175.860 176.519 -0.474 0.000 1.080 65 W CA -0.572 56.561 57.345 -0.353 0.000 1.208 65 W CB 0.294 29.535 29.460 -0.365 0.000 1.396 65 W HN 0.135 nan 8.180 nan 0.000 0.573 66 H N 1.992 120.981 119.070 -0.135 0.000 2.594 66 H HA 0.214 4.770 4.556 0.001 0.000 0.304 66 H C 0.220 175.413 175.328 -0.226 0.000 1.068 66 H CA 0.068 56.013 56.048 -0.171 0.000 1.308 66 H CB 0.633 30.228 29.762 -0.278 0.000 1.409 66 H HN 0.187 nan 8.280 nan 0.000 0.460 67 H N 1.830 121.034 119.070 0.222 0.000 2.495 67 H HA 0.034 4.591 4.556 0.001 0.000 0.350 67 H C 0.300 175.664 175.328 0.060 0.000 1.202 67 H CA -0.379 55.796 56.048 0.212 0.000 1.322 67 H CB 0.930 30.939 29.762 0.412 0.000 1.544 67 H HN 0.650 nan 8.280 nan 0.000 0.565 68 D N 0.754 121.297 120.400 0.238 0.000 2.735 68 D HA -0.151 4.489 4.640 0.001 0.000 0.235 68 D C 1.113 177.339 176.300 -0.122 0.000 1.175 68 D CA 1.089 55.135 54.000 0.076 0.000 0.683 68 D CB -1.484 39.378 40.800 0.104 0.000 1.008 68 D HN 0.775 nan 8.370 nan 0.000 0.416 69 T N -3.097 111.334 114.554 -0.206 0.000 3.025 69 T HA -0.075 4.275 4.350 0.001 0.000 0.270 69 T C 2.070 176.704 174.700 -0.111 0.000 1.126 69 T CA 0.349 62.203 62.100 -0.409 0.000 1.105 69 T CB 0.045 68.423 68.868 -0.815 0.000 0.884 69 T HN 0.421 nan 8.240 nan 0.000 0.522 70 L N 1.406 122.608 121.223 -0.034 0.000 2.217 70 L HA 0.052 4.392 4.340 0.001 0.000 0.211 70 L C 2.790 179.669 176.870 0.014 0.000 1.107 70 L CA 1.537 56.389 54.840 0.020 0.000 0.783 70 L CB -0.363 41.715 42.059 0.030 0.000 0.919 70 L HN 0.567 nan 8.230 nan 0.000 0.442 71 T N -6.261 108.275 114.554 -0.031 0.000 3.016 71 T HA 0.064 4.415 4.350 0.001 0.000 0.271 71 T C 0.793 175.414 174.700 -0.131 0.000 0.968 71 T CA -0.426 61.651 62.100 -0.038 0.000 0.891 71 T CB -0.237 68.628 68.868 -0.005 0.000 1.149 71 T HN -0.013 nan 8.240 nan 0.000 0.524 72 N N 4.395 122.927 118.700 -0.280 0.000 2.418 72 N HA 0.056 4.796 4.740 0.001 0.000 0.277 72 N C -1.175 174.171 175.510 -0.273 0.000 1.317 72 N CA -1.414 51.305 53.050 -0.551 0.000 0.922 72 N CB 1.320 39.464 38.487 -0.572 0.000 1.194 72 N HN 0.184 nan 8.380 nan 0.000 0.485 73 P HA -0.175 nan 4.420 nan 0.000 0.220 73 P C 1.515 178.531 177.300 -0.473 0.000 1.148 73 P CA 0.536 63.529 63.100 -0.178 0.000 0.803 73 P CB 0.426 32.170 31.700 0.072 0.000 0.782 74 L N -0.767 120.031 121.223 -0.708 0.000 2.044 74 L HA -0.014 4.327 4.340 0.001 0.000 0.205 74 L C 2.476 179.065 176.870 -0.468 0.000 1.075 74 L CA 1.545 55.864 54.840 -0.868 0.000 0.747 74 L CB -1.770 39.836 42.059 -0.755 0.000 0.903 74 L HN -0.190 nan 8.230 nan 0.000 0.435 75 F N -0.223 119.414 119.950 -0.523 0.000 2.134 75 F HA -0.186 4.341 4.527 0.001 0.000 0.299 75 F C 2.028 177.552 175.800 -0.459 0.000 1.097 75 F CA 1.675 59.250 58.000 -0.708 0.000 1.264 75 F CB -0.343 38.227 39.000 -0.718 0.000 1.001 75 F HN 0.066 nan 8.300 nan 0.000 0.479 76 L N 0.087 121.070 121.223 -0.402 0.000 2.042 76 L HA -0.230 4.110 4.340 0.001 0.000 0.210 76 L C 2.491 179.165 176.870 -0.328 0.000 1.076 76 L CA 1.762 56.401 54.840 -0.335 0.000 0.749 76 L CB -0.828 41.161 42.059 -0.116 0.000 0.893 76 L HN 0.212 nan 8.230 nan 0.000 0.432 77 E N -0.266 119.769 120.200 -0.275 0.000 2.031 77 E HA -0.212 4.139 4.350 0.001 0.000 0.193 77 E C 2.192 178.680 176.600 -0.186 0.000 0.994 77 E CA 1.031 57.333 56.400 -0.164 0.000 0.800 77 E CB 0.068 29.711 29.700 -0.095 0.000 0.752 77 E HN 0.387 nan 8.360 nan 0.000 0.447 78 E N 0.216 120.248 120.200 -0.280 0.000 2.118 78 E HA -0.203 4.147 4.350 0.001 0.000 0.195 78 E C 1.964 178.492 176.600 -0.119 0.000 0.992 78 E CA 1.035 57.325 56.400 -0.182 0.000 0.804 78 E CB -0.218 29.350 29.700 -0.220 0.000 0.741 78 E HN 0.238 nan 8.360 nan 0.000 0.458 79 A N 1.057 123.659 122.820 -0.363 0.000 1.930 79 A HA -0.221 4.099 4.320 0.001 0.000 0.217 79 A C 2.176 179.714 177.584 -0.078 0.000 1.175 79 A CA 1.726 53.654 52.037 -0.181 0.000 0.627 79 A CB -0.404 18.281 19.000 -0.525 0.000 0.815 79 A HN 0.136 nan 8.150 nan 0.000 0.443 80 Q N 0.082 119.814 119.800 -0.112 0.000 2.084 80 Q HA -0.062 4.278 4.340 0.001 0.000 0.202 80 Q C 1.813 177.790 176.000 -0.037 0.000 0.978 80 Q CA 1.651 57.420 55.803 -0.056 0.000 0.844 80 Q CB -0.542 28.166 28.738 -0.050 0.000 0.898 80 Q HN 0.661 nan 8.270 nan 0.000 0.426 81 L N -0.578 120.620 121.223 -0.041 0.000 2.046 81 L HA -0.151 4.189 4.340 0.001 0.000 0.208 81 L C 2.388 179.234 176.870 -0.039 0.000 1.077 81 L CA 1.394 56.215 54.840 -0.031 0.000 0.747 81 L CB -0.480 41.563 42.059 -0.027 0.000 0.896 81 L HN 0.132 nan 8.230 nan 0.000 0.432 82 S N -0.162 115.508 115.700 -0.050 0.000 2.402 82 S HA -0.114 4.356 4.470 0.001 0.000 0.229 82 S C 1.795 176.364 174.600 -0.051 0.000 1.021 82 S CA 0.807 58.958 58.200 -0.083 0.000 0.974 82 S CB -0.205 62.892 63.200 -0.172 0.000 0.800 82 S HN 0.232 nan 8.310 nan 0.000 0.484 83 L N 2.302 123.510 121.223 -0.024 0.000 2.201 83 L HA 0.050 4.391 4.340 0.001 0.000 0.212 83 L C 1.335 178.196 176.870 -0.016 0.000 1.105 83 L CA 1.604 56.438 54.840 -0.011 0.000 0.775 83 L CB -0.523 41.535 42.059 -0.001 0.000 0.913 83 L HN 0.157 nan 8.230 nan 0.000 0.440 84 N N -0.524 118.164 118.700 -0.020 0.000 2.405 84 N HA -0.033 4.708 4.740 0.001 0.000 0.175 84 N C 0.757 176.254 175.510 -0.022 0.000 1.051 84 N CA 1.067 54.107 53.050 -0.017 0.000 0.899 84 N CB 0.096 38.575 38.487 -0.014 0.000 1.000 84 N HN 0.595 nan 8.380 nan 0.000 0.451 85 D N -1.577 118.805 120.400 -0.030 0.000 2.469 85 D HA 0.163 4.803 4.640 0.001 0.000 0.213 85 D C 1.237 177.513 176.300 -0.040 0.000 1.135 85 D CA 0.475 54.455 54.000 -0.032 0.000 0.834 85 D CB -0.072 40.708 40.800 -0.033 0.000 1.009 85 D HN 0.105 nan 8.370 nan 0.000 0.507 86 G N 0.986 109.758 108.800 -0.046 0.000 2.189 86 G HA2 -0.373 3.587 3.960 0.001 0.000 0.267 86 G HA3 -0.373 3.587 3.960 0.001 0.000 0.267 86 G C 0.301 175.158 174.900 -0.071 0.000 0.975 86 G CA 0.297 45.366 45.100 -0.053 0.000 0.644 86 G HN 0.474 nan 8.290 nan 0.000 0.537 87 R N 0.747 121.200 120.500 -0.079 0.000 2.543 87 R HA 0.421 4.762 4.340 0.001 0.000 0.277 87 R C -0.038 176.173 176.300 -0.148 0.000 1.074 87 R CA 0.251 56.295 56.100 -0.092 0.000 1.076 87 R CB 0.437 30.691 30.300 -0.077 0.000 0.993 87 R HN 0.148 nan 8.270 nan 0.000 0.459 88 T N 3.573 118.036 114.554 -0.152 0.000 2.737 88 T HA 0.161 4.511 4.350 0.001 0.000 0.296 88 T C 1.070 175.622 174.700 -0.247 0.000 0.922 88 T CA -0.179 61.785 62.100 -0.226 0.000 1.079 88 T CB 0.745 69.526 68.868 -0.145 0.000 0.892 88 T HN 0.464 nan 8.240 nan 0.000 0.514 89 R N 1.585 121.828 120.500 -0.429 0.000 2.373 89 R HA 0.287 4.627 4.340 0.001 0.000 0.221 89 R C -0.271 175.967 176.300 -0.104 0.000 0.893 89 R CA 0.227 56.180 56.100 -0.245 0.000 1.049 89 R CB 0.528 30.751 30.300 -0.129 0.000 1.119 89 R HN 0.675 nan 8.270 nan 0.000 0.535 90 F N -3.458 116.517 119.950 0.042 0.000 2.877 90 F HA 0.619 5.147 4.527 0.001 0.000 0.319 90 F C -1.407 174.474 175.800 0.135 0.000 1.174 90 F CA -1.635 56.410 58.000 0.075 0.000 0.903 90 F CB 1.151 40.229 39.000 0.131 0.000 1.357 90 F HN -0.348 nan 8.300 nan 0.000 0.472 91 V N 1.419 121.617 119.914 0.473 0.000 2.752 91 V HA 0.506 4.626 4.120 0.001 0.000 0.302 91 V C -1.661 174.650 176.094 0.361 0.000 1.133 91 V CA -0.790 61.753 62.300 0.405 0.000 0.919 91 V CB 1.611 33.591 31.823 0.262 0.000 1.026 91 V HN 0.691 nan 8.190 nan 0.000 0.429 92 F N 6.294 126.431 119.950 0.312 0.000 2.502 92 F HA 0.280 4.807 4.527 0.001 0.000 0.361 92 F C 1.292 177.201 175.800 0.182 0.000 1.157 92 F CA 0.020 58.155 58.000 0.225 0.000 1.096 92 F CB 0.581 39.678 39.000 0.161 0.000 1.141 92 F HN 0.727 nan 8.300 nan 0.000 0.579 93 D N 0.518 121.093 120.400 0.290 0.000 2.463 93 D HA 0.018 4.659 4.640 0.001 0.000 0.224 93 D C -0.117 176.278 176.300 0.159 0.000 1.174 93 D CA -0.256 53.862 54.000 0.197 0.000 0.829 93 D CB -0.383 40.492 40.800 0.126 0.000 0.993 93 D HN 0.199 nan 8.370 nan 0.000 0.497 94 D N 0.741 121.249 120.400 0.179 0.000 2.382 94 D HA 0.291 4.931 4.640 0.001 0.000 0.240 94 D C -0.097 176.244 176.300 0.068 0.000 1.146 94 D CA 0.616 54.689 54.000 0.121 0.000 0.897 94 D CB 1.219 42.108 40.800 0.148 0.000 1.197 94 D HN 0.156 nan 8.370 nan 0.000 0.432 95 D N -0.271 120.139 120.400 0.017 0.000 2.692 95 D HA 0.117 4.758 4.640 0.001 0.000 0.290 95 D C -1.184 175.119 176.300 0.005 0.000 1.281 95 D CA -0.567 53.420 54.000 -0.022 0.000 0.804 95 D CB 1.233 41.975 40.800 -0.097 0.000 1.331 95 D HN 0.088 nan 8.370 nan 0.000 0.432 96 N N 0.900 119.600 118.700 -0.000 0.000 2.458 96 N HA 0.192 4.932 4.740 0.001 0.000 0.270 96 N C -0.258 175.262 175.510 0.017 0.000 1.102 96 N CA 0.043 53.129 53.050 0.061 0.000 0.967 96 N CB 0.200 38.684 38.487 -0.005 0.000 1.078 96 N HN 0.188 nan 8.380 nan 0.000 0.471 97 F N 1.558 121.416 119.950 -0.154 0.000 2.518 97 F HA 0.230 4.757 4.527 0.001 0.000 0.359 97 F C 1.238 176.790 175.800 -0.413 0.000 1.118 97 F CA -0.134 57.656 58.000 -0.350 0.000 1.287 97 F CB 0.477 39.081 39.000 -0.661 0.000 1.132 97 F HN 0.220 nan 8.300 nan 0.000 0.587 98 I N 3.928 124.336 120.570 -0.271 0.000 2.339 98 I HA 0.197 4.367 4.170 0.001 0.000 0.290 98 I C -1.049 174.928 176.117 -0.234 0.000 0.994 98 I CA -0.625 60.574 61.300 -0.168 0.000 1.191 98 I CB 0.785 38.721 38.000 -0.106 0.000 1.343 98 I HN 0.434 nan 8.210 nan 0.000 0.458 99 Y N 6.834 127.212 120.300 0.130 0.000 2.331 99 Y HA 0.556 5.106 4.550 0.001 0.000 0.338 99 Y C 0.053 176.010 175.900 0.095 0.000 0.992 99 Y CA -0.625 57.556 58.100 0.135 0.000 1.121 99 Y CB 1.372 39.906 38.460 0.124 0.000 1.184 99 Y HN 0.330 nan 8.280 nan 0.000 0.469 100 I N 3.117 123.843 120.570 0.259 0.000 2.436 100 I HA 0.244 4.415 4.170 0.001 0.000 0.289 100 I C -0.895 175.367 176.117 0.241 0.000 1.010 100 I CA -0.684 60.731 61.300 0.192 0.000 1.098 100 I CB 1.843 39.934 38.000 0.153 0.000 1.266 100 I HN 0.568 nan 8.210 nan 0.000 0.434 101 D N 3.808 124.287 120.400 0.131 0.000 2.181 101 D HA 0.126 4.766 4.640 0.001 0.000 0.248 101 D C 0.918 177.180 176.300 -0.064 0.000 1.020 101 D CA -0.327 53.724 54.000 0.085 0.000 0.891 101 D CB 1.732 42.546 40.800 0.024 0.000 1.187 101 D HN 0.619 nan 8.370 nan 0.000 0.443 102 E N 1.117 121.075 120.200 -0.403 0.000 2.072 102 E HA -0.189 4.161 4.350 0.001 0.000 0.191 102 E C 0.891 177.271 176.600 -0.368 0.000 0.985 102 E CA 1.095 57.034 56.400 -0.768 0.000 0.801 102 E CB 0.260 28.905 29.700 -1.759 0.000 0.750 102 E HN 0.467 nan 8.360 nan 0.000 0.452 103 E N 0.110 120.157 120.200 -0.256 0.000 2.140 103 E HA -0.093 4.257 4.350 0.001 0.000 0.191 103 E C 2.048 178.604 176.600 -0.073 0.000 0.973 103 E CA 0.666 56.982 56.400 -0.139 0.000 0.829 103 E CB -0.207 29.438 29.700 -0.092 0.000 0.781 103 E HN 0.184 nan 8.360 nan 0.000 0.466 104 R N 0.426 120.893 120.500 -0.056 0.000 2.254 104 R HA 0.104 4.445 4.340 0.001 0.000 0.195 104 R C 0.820 177.085 176.300 -0.058 0.000 0.957 104 R CA 0.893 56.958 56.100 -0.058 0.000 1.024 104 R CB 0.200 30.434 30.300 -0.109 0.000 0.952 104 R HN 0.193 nan 8.270 nan 0.000 0.484 105 G N 0.851 109.626 108.800 -0.042 0.000 2.542 105 G HA2 -0.316 3.644 3.960 0.001 0.000 0.235 105 G HA3 -0.316 3.644 3.960 0.001 0.000 0.235 105 G C -1.097 173.803 174.900 0.000 0.000 1.286 105 G CA -0.204 44.890 45.100 -0.010 0.000 0.904 105 G HN 0.359 nan 8.290 nan 0.000 0.577 106 R N -0.030 120.480 120.500 0.016 0.000 2.522 106 R HA 0.321 4.662 4.340 0.001 0.000 0.284 106 R C 1.251 177.561 176.300 0.017 0.000 1.032 106 R CA 0.690 56.814 56.100 0.040 0.000 1.049 106 R CB 0.591 30.919 30.300 0.047 0.000 0.956 106 R HN 1.199 nan 8.270 nan 0.000 0.422 107 V N -1.717 118.226 119.914 0.049 0.000 3.252 107 V HA 0.096 4.216 4.120 0.001 0.000 0.320 107 V C 0.030 176.183 176.094 0.098 0.000 1.459 107 V CA -0.522 61.775 62.300 -0.006 0.000 1.095 107 V CB -0.035 31.702 31.823 -0.143 0.000 0.997 107 V HN 0.694 nan 8.190 nan 0.000 0.469 108 D N -0.108 120.414 120.400 0.205 0.000 2.264 108 D HA 0.109 4.749 4.640 0.001 0.000 0.249 108 D C 0.588 177.046 176.300 0.263 0.000 1.070 108 D CA -0.282 53.904 54.000 0.311 0.000 0.912 108 D CB 0.553 41.573 40.800 0.368 0.000 1.193 108 D HN 0.371 nan 8.370 nan 0.000 0.427 109 H N -0.073 119.076 119.070 0.133 0.000 2.594 109 H HA -0.209 4.347 4.556 0.001 0.000 0.316 109 H C -0.881 174.483 175.328 0.060 0.000 1.107 109 H CA 0.720 56.821 56.048 0.087 0.000 1.133 109 H CB -0.610 29.201 29.762 0.081 0.000 1.459 109 H HN 0.537 nan 8.280 nan 0.000 0.411 110 D N 1.272 121.684 120.400 0.020 0.000 2.280 110 D HA 0.041 4.681 4.640 0.001 0.000 0.243 110 D C 1.398 177.658 176.300 -0.067 0.000 1.129 110 D CA -0.018 53.971 54.000 -0.018 0.000 0.848 110 D CB 0.747 41.546 40.800 -0.001 0.000 1.107 110 D HN 0.654 nan 8.370 nan 0.000 0.471 111 K N 1.446 121.798 120.400 -0.079 0.000 2.360 111 K HA -0.129 4.192 4.320 0.001 0.000 0.201 111 K C 1.014 177.592 176.600 -0.036 0.000 1.046 111 K CA 0.979 57.221 56.287 -0.075 0.000 0.940 111 K CB 0.235 32.701 32.500 -0.057 0.000 0.748 111 K HN 0.150 nan 8.250 nan 0.000 0.465 112 E N 0.370 120.559 120.200 -0.019 0.000 2.332 112 E HA 0.196 4.546 4.350 0.001 0.000 0.202 112 E C 1.790 178.398 176.600 0.014 0.000 0.877 112 E CA 0.225 56.625 56.400 0.000 0.000 0.979 112 E CB -0.153 29.550 29.700 0.006 0.000 0.969 112 E HN 0.340 nan 8.360 nan 0.000 0.495 113 L N 0.176 121.406 121.223 0.011 0.000 2.131 113 L HA 0.205 4.545 4.340 0.001 0.000 0.206 113 L C 1.075 177.965 176.870 0.034 0.000 1.087 113 L CA 0.644 55.503 54.840 0.031 0.000 0.767 113 L CB -0.362 41.703 42.059 0.010 0.000 0.917 113 L HN 0.206 nan 8.230 nan 0.000 0.441 114 L N 0.104 121.335 121.223 0.013 0.000 3.829 114 L HA -0.296 4.045 4.340 0.001 0.000 0.440 114 L C 1.480 178.370 176.870 0.035 0.000 1.192 114 L CA -0.204 54.645 54.840 0.016 0.000 0.848 114 L CB -1.565 40.503 42.059 0.016 0.000 1.744 114 L HN 0.332 nan 8.230 nan 0.000 0.920 115 L N -0.773 120.469 121.223 0.030 0.000 2.012 115 L HA -0.243 4.097 4.340 0.001 0.000 0.210 115 L C 2.346 179.223 176.870 0.012 0.000 1.073 115 L CA 1.986 56.838 54.840 0.019 0.000 0.748 115 L CB -0.254 41.788 42.059 -0.028 0.000 0.891 115 L HN 0.404 nan 8.230 nan 0.000 0.431 116 E N 0.454 120.668 120.200 0.023 0.000 2.130 116 E HA -0.216 4.135 4.350 0.001 0.000 0.196 116 E C 2.109 178.738 176.600 0.048 0.000 0.998 116 E CA 1.322 57.748 56.400 0.044 0.000 0.806 116 E CB -0.294 29.467 29.700 0.101 0.000 0.738 116 E HN 0.476 nan 8.360 nan 0.000 0.459 117 I N 0.216 120.814 120.570 0.048 0.000 2.252 117 I HA -0.208 3.962 4.170 0.001 0.000 0.245 117 I C 2.202 178.347 176.117 0.046 0.000 1.102 117 I CA 1.010 62.337 61.300 0.045 0.000 1.385 117 I CB -0.413 37.612 38.000 0.041 0.000 1.064 117 I HN 0.084 nan 8.210 nan 0.000 0.414 118 V N -1.561 118.387 119.914 0.056 0.000 2.809 118 V HA -0.199 3.921 4.120 0.001 0.000 0.256 118 V C 2.013 178.109 176.094 0.003 0.000 1.080 118 V CA 1.952 64.296 62.300 0.074 0.000 1.102 118 V CB -0.840 31.063 31.823 0.132 0.000 0.705 118 V HN 0.346 nan 8.190 nan 0.000 0.475 119 D N 2.184 122.590 120.400 0.011 0.000 2.144 119 D HA -0.140 4.501 4.640 0.001 0.000 0.199 119 D C 2.170 178.470 176.300 -0.000 0.000 0.984 119 D CA 1.991 55.996 54.000 0.009 0.000 0.834 119 D CB -0.446 40.397 40.800 0.071 0.000 0.955 119 D HN 0.575 nan 8.370 nan 0.000 0.465 120 N N 0.357 119.066 118.700 0.014 0.000 2.166 120 N HA -0.184 4.556 4.740 0.001 0.000 0.186 120 N C 1.875 177.365 175.510 -0.033 0.000 1.019 120 N CA 1.598 54.651 53.050 0.004 0.000 0.856 120 N CB -0.806 37.693 38.487 0.020 0.000 0.993 120 N HN 0.517 nan 8.380 nan 0.000 0.426 121 E N -1.016 119.170 120.200 -0.025 0.000 2.072 121 E HA -0.153 4.198 4.350 0.001 0.000 0.191 121 E C 2.096 178.636 176.600 -0.099 0.000 0.985 121 E CA 1.013 57.412 56.400 -0.001 0.000 0.801 121 E CB -0.122 29.635 29.700 0.094 0.000 0.750 121 E HN 0.447 nan 8.360 nan 0.000 0.452 122 M N 1.134 120.519 119.600 -0.358 0.000 2.073 122 M HA -0.186 4.295 4.480 0.001 0.000 0.258 122 M C 2.521 178.665 176.300 -0.260 0.000 1.070 122 M CA 2.310 57.241 55.300 -0.615 0.000 1.103 122 M CB -1.033 31.242 32.600 -0.542 0.000 1.321 122 M HN 0.209 nan 8.290 nan 0.000 0.405 123 S N -0.561 114.945 115.700 -0.323 0.000 2.382 123 S HA -0.175 4.296 4.470 0.001 0.000 0.228 123 S C 1.914 176.245 174.600 -0.448 0.000 1.027 123 S CA 1.542 59.289 58.200 -0.755 0.000 0.991 123 S CB -0.458 62.431 63.200 -0.519 0.000 0.823 123 S HN 0.375 nan 8.310 nan 0.000 0.469 124 K N 1.198 121.488 120.400 -0.182 0.000 2.148 124 K HA 0.059 4.379 4.320 0.001 0.000 0.204 124 K C 1.659 178.244 176.600 -0.025 0.000 1.050 124 K CA 0.998 57.237 56.287 -0.080 0.000 0.942 124 K CB -0.891 31.600 32.500 -0.015 0.000 0.724 124 K HN 0.392 nan 8.250 nan 0.000 0.446 125 F N 0.825 120.700 119.950 -0.124 0.000 2.069 125 F HA -0.126 4.401 4.527 0.001 0.000 0.298 125 F C 1.879 177.621 175.800 -0.097 0.000 1.113 125 F CA 1.824 59.796 58.000 -0.045 0.000 1.214 125 F CB -0.861 38.177 39.000 0.064 0.000 0.978 125 F HN 0.071 nan 8.300 nan 0.000 0.474 126 A N -0.034 122.671 122.820 -0.192 0.000 1.908 126 A HA -0.264 4.056 4.320 0.001 0.000 0.218 126 A C 2.289 179.765 177.584 -0.180 0.000 1.181 126 A CA 1.882 53.779 52.037 -0.233 0.000 0.627 126 A CB -1.157 17.755 19.000 -0.147 0.000 0.818 126 A HN 0.612 nan 8.150 nan 0.000 0.445 127 E N -0.156 119.958 120.200 -0.144 0.000 2.058 127 E HA -0.185 4.165 4.350 0.001 0.000 0.194 127 E C 1.904 178.502 176.600 -0.003 0.000 0.997 127 E CA 1.363 57.766 56.400 0.005 0.000 0.801 127 E CB -0.215 29.485 29.700 -0.001 0.000 0.746 127 E HN 0.649 nan 8.360 nan 0.000 0.450 128 L N 0.460 121.619 121.223 -0.107 0.000 2.217 128 L HA -0.117 4.224 4.340 0.001 0.000 0.211 128 L C 2.515 179.303 176.870 -0.137 0.000 1.107 128 L CA 0.758 55.541 54.840 -0.095 0.000 0.783 128 L CB -0.270 41.735 42.059 -0.090 0.000 0.919 128 L HN 0.139 nan 8.230 nan 0.000 0.442 129 E N 0.307 120.252 120.200 -0.425 0.000 2.051 129 E HA -0.099 4.252 4.350 0.001 0.000 0.192 129 E C 0.736 177.002 176.600 -0.557 0.000 0.991 129 E CA 1.416 57.392 56.400 -0.708 0.000 0.799 129 E CB 0.074 29.055 29.700 -1.199 0.000 0.748 129 E HN 0.310 nan 8.360 nan 0.000 0.449 130 F N -2.096 117.908 119.950 0.090 0.000 2.809 130 F HA 0.343 4.870 4.527 0.001 0.000 0.347 130 F C 0.166 176.132 175.800 0.276 0.000 1.306 130 F CA -0.530 57.584 58.000 0.190 0.000 1.084 130 F CB -0.056 39.010 39.000 0.110 0.000 1.761 130 F HN -0.051 nan 8.300 nan 0.000 0.485 131 H N 0.466 119.719 119.070 0.304 0.000 3.946 131 H HA -0.032 4.525 4.556 0.001 0.000 0.278 131 H C 0.384 175.679 175.328 -0.055 0.000 0.686 131 H CA 0.228 56.337 56.048 0.101 0.000 0.799 131 H CB -0.220 29.580 29.762 0.063 0.000 1.299 131 H HN 1.066 nan 8.280 nan 0.000 0.310 132 Q N 1.328 121.248 119.800 0.200 0.000 2.416 132 Q HA -0.224 4.116 4.340 0.001 0.000 0.235 132 Q C -0.805 175.097 176.000 -0.164 0.000 0.773 132 Q CA 2.253 58.012 55.803 -0.073 0.000 1.286 132 Q CB -2.302 nan 28.738 nan 0.000 1.556 132 Q HN 0.877 nan 8.270 nan 0.000 0.650 133 H N -1.409 117.719 119.070 0.097 0.000 2.492 133 H HA 0.808 5.365 4.556 0.001 0.000 0.345 133 H C -0.053 175.323 175.328 0.079 0.000 1.136 133 H CA -1.062 55.030 56.048 0.074 0.000 1.202 133 H CB 1.528 31.340 29.762 0.084 0.000 1.524 133 H HN 0.494 nan 8.280 nan 0.000 0.506 134 L N 0.645 121.993 121.223 0.209 0.000 2.329 134 L HA 0.350 4.691 4.340 0.001 0.000 0.279 134 L C 0.960 177.890 176.870 0.100 0.000 1.014 134 L CA -0.380 54.535 54.840 0.125 0.000 0.814 134 L CB 1.944 44.055 42.059 0.086 0.000 1.257 134 L HN 0.976 nan 8.230 nan 0.000 0.424 135 G N 2.561 111.410 108.800 0.080 0.000 2.147 135 G HA2 -0.213 3.748 3.960 0.001 0.000 0.244 135 G HA3 -0.213 3.748 3.960 0.001 0.000 0.244 135 G C -0.153 174.784 174.900 0.061 0.000 1.005 135 G CA -0.057 45.078 45.100 0.059 0.000 0.713 135 G HN 0.358 nan 8.290 nan 0.000 0.515 136 V N 1.091 121.062 119.914 0.096 0.000 2.406 136 V HA 0.585 4.705 4.120 0.001 0.000 0.272 136 V C 1.141 177.322 176.094 0.145 0.000 1.043 136 V CA 0.192 62.561 62.300 0.114 0.000 0.915 136 V CB 1.478 33.415 31.823 0.190 0.000 0.988 136 V HN 0.589 nan 8.190 nan 0.000 0.466 137 S N 3.386 119.157 115.700 0.119 0.000 2.549 137 S HA 0.101 4.571 4.470 0.001 0.000 0.283 137 S C -0.094 174.612 174.600 0.177 0.000 1.320 137 S CA -0.427 57.840 58.200 0.111 0.000 1.058 137 S CB 0.634 63.882 63.200 0.080 0.000 0.882 137 S HN 0.890 nan 8.310 nan 0.000 0.498 138 D N 1.307 121.765 120.400 0.097 0.000 2.411 138 D HA 0.604 5.245 4.640 0.001 0.000 0.251 138 D C 0.177 176.546 176.300 0.116 0.000 1.201 138 D CA -0.209 53.824 54.000 0.055 0.000 0.996 138 D CB 0.936 41.697 40.800 -0.064 0.000 1.101 138 D HN 0.831 nan 8.370 nan 0.000 0.504 139 C N -1.202 118.174 119.300 0.127 0.000 3.276 139 C HA 0.775 5.235 4.460 0.001 0.000 0.370 139 C C -0.326 174.740 174.990 0.127 0.000 1.624 139 C CA -0.531 58.565 59.018 0.129 0.000 1.179 139 C CB 0.392 28.228 27.740 0.160 0.000 1.909 139 C HN 0.635 nan 8.230 nan 0.000 0.434 140 S N -0.126 115.648 115.700 0.123 0.000 2.610 140 S HA 0.440 4.910 4.470 0.001 0.000 0.273 140 S C 0.413 175.149 174.600 0.226 0.000 1.274 140 S CA -0.164 58.121 58.200 0.142 0.000 1.023 140 S CB 0.456 63.717 63.200 0.101 0.000 0.962 140 S HN 1.231 nan 8.310 nan 0.000 0.523 141 F N 1.910 121.921 119.950 0.101 0.000 2.161 141 F HA -0.118 4.410 4.527 0.001 0.000 0.300 141 F C 1.742 177.626 175.800 0.141 0.000 1.089 141 F CA 1.528 59.614 58.000 0.142 0.000 1.282 141 F CB -0.221 38.860 39.000 0.135 0.000 1.010 141 F HN 0.763 nan 8.300 nan 0.000 0.485 142 F N 1.980 121.779 119.950 -0.252 0.000 2.046 142 F HA -0.240 4.287 4.527 0.001 0.000 0.297 142 F C 2.662 178.184 175.800 -0.463 0.000 1.123 142 F CA 2.861 60.413 58.000 -0.747 0.000 1.199 142 F CB -1.373 36.952 39.000 -1.124 0.000 0.972 142 F HN 0.112 nan 8.300 nan 0.000 0.474 143 Q N 0.907 120.470 119.800 -0.395 0.000 2.096 143 Q HA -0.197 4.144 4.340 0.001 0.000 0.204 143 Q C 2.173 178.039 176.000 -0.225 0.000 0.982 143 Q CA 2.015 57.601 55.803 -0.363 0.000 0.850 143 Q CB -1.609 27.109 28.738 -0.033 0.000 0.901 143 Q HN 0.652 nan 8.270 nan 0.000 0.422 144 L N 0.127 121.332 121.223 -0.030 0.000 2.042 144 L HA -0.120 4.221 4.340 0.001 0.000 0.210 144 L C 2.545 179.494 176.870 0.132 0.000 1.076 144 L CA 1.996 56.931 54.840 0.159 0.000 0.749 144 L CB -0.464 41.813 42.059 0.363 0.000 0.893 144 L HN 0.309 nan 8.230 nan 0.000 0.432 145 V N -0.659 119.197 119.914 -0.097 0.000 2.427 145 V HA -0.276 3.845 4.120 0.001 0.000 0.248 145 V C 2.551 178.590 176.094 -0.092 0.000 1.051 145 V CA 1.622 63.873 62.300 -0.081 0.000 1.048 145 V CB -0.524 31.177 31.823 -0.203 0.000 0.666 145 V HN 0.415 nan 8.190 nan 0.000 0.456 146 M N -0.285 119.121 119.600 -0.323 0.000 2.175 146 M HA -0.149 4.332 4.480 0.001 0.000 0.264 146 M C 2.138 178.360 176.300 -0.131 0.000 1.063 146 M CA 1.635 56.774 55.300 -0.269 0.000 1.119 146 M CB -1.146 31.162 32.600 -0.488 0.000 1.377 146 M HN 0.330 nan 8.290 nan 0.000 0.415 147 K N -0.544 119.818 120.400 -0.063 0.000 2.057 147 K HA -0.209 4.111 4.320 0.001 0.000 0.206 147 K C 2.158 178.706 176.600 -0.087 0.000 1.050 147 K CA 1.194 57.487 56.287 0.010 0.000 0.935 147 K CB -0.288 32.310 32.500 0.163 0.000 0.715 147 K HN 0.218 nan 8.250 nan 0.000 0.439 148 Y N 1.658 121.776 120.300 -0.304 0.000 2.097 148 Y HA -0.232 4.318 4.550 0.001 0.000 0.282 148 Y C 1.702 177.350 175.900 -0.420 0.000 1.152 148 Y CA 1.686 59.299 58.100 -0.811 0.000 1.136 148 Y CB -0.330 37.707 38.460 -0.706 0.000 0.975 148 Y HN 0.001 nan 8.280 nan 0.000 0.498 149 L N -0.548 120.516 121.223 -0.265 0.000 2.012 149 L HA -0.237 4.104 4.340 0.001 0.000 0.210 149 L C 2.481 179.164 176.870 -0.312 0.000 1.073 149 L CA 1.480 56.162 54.840 -0.263 0.000 0.748 149 L CB -0.802 41.236 42.059 -0.036 0.000 0.891 149 L HN 0.356 nan 8.230 nan 0.000 0.431 150 L N -0.398 120.676 121.223 -0.248 0.000 2.141 150 L HA -0.219 4.121 4.340 0.001 0.000 0.209 150 L C 2.470 179.200 176.870 -0.235 0.000 1.094 150 L CA 1.657 56.367 54.840 -0.217 0.000 0.763 150 L CB -0.449 41.517 42.059 -0.156 0.000 0.908 150 L HN 0.242 nan 8.230 nan 0.000 0.437 151 Q N -1.305 118.328 119.800 -0.277 0.000 2.245 151 Q HA -0.037 4.303 4.340 0.001 0.000 0.201 151 Q C 1.190 177.034 176.000 -0.261 0.000 0.955 151 Q CA 0.656 56.319 55.803 -0.233 0.000 0.870 151 Q CB 0.243 28.867 28.738 -0.191 0.000 0.945 151 Q HN 0.342 nan 8.270 nan 0.000 0.461 152 R N -0.140 120.104 120.500 -0.425 0.000 2.472 152 R HA 0.103 4.443 4.340 0.001 0.000 0.279 152 R C 1.597 177.700 176.300 -0.329 0.000 0.953 152 R CA 0.077 56.001 56.100 -0.293 0.000 1.088 152 R CB 0.058 30.049 30.300 -0.516 0.000 1.197 152 R HN 0.325 nan 8.270 nan 0.000 0.536 153 R N 0.967 121.254 120.500 -0.356 0.000 2.153 153 R HA -0.248 4.093 4.340 0.001 0.000 0.252 153 R C 1.578 177.647 176.300 -0.384 0.000 1.158 153 R CA 1.869 57.782 56.100 -0.311 0.000 0.975 153 R CB -0.559 29.577 30.300 -0.273 0.000 0.871 153 R HN 0.224 nan 8.270 nan 0.000 0.450 154 Q N 0.195 119.611 119.800 -0.640 0.000 2.364 154 Q HA -0.090 4.251 4.340 0.001 0.000 0.209 154 Q C 0.328 175.787 176.000 -0.901 0.000 0.977 154 Q CA 1.200 56.483 55.803 -0.868 0.000 0.885 154 Q CB 0.097 28.097 28.738 -1.231 0.000 0.941 154 Q HN 0.602 nan 8.270 nan 0.000 0.464 155 F N -0.311 119.580 119.950 -0.098 0.000 2.735 155 F HA 0.350 4.877 4.527 0.001 0.000 0.308 155 F C -0.333 175.434 175.800 -0.056 0.000 1.112 155 F CA -0.490 57.468 58.000 -0.069 0.000 1.235 155 F CB 0.710 39.669 39.000 -0.068 0.000 1.027 155 F HN -0.146 nan 8.300 nan 0.000 0.528 156 L N 0.745 121.964 121.223 -0.006 0.000 2.362 156 L HA 0.521 4.862 4.340 0.001 0.000 0.271 156 L C 0.388 177.253 176.870 -0.009 0.000 1.002 156 L CA -0.960 53.887 54.840 0.013 0.000 0.818 156 L CB 2.326 44.376 42.059 -0.016 0.000 1.298 156 L HN 0.081 nan 8.230 nan 0.000 0.420 157 T N -2.361 112.207 114.554 0.025 0.000 2.816 157 T HA 0.183 4.534 4.350 0.001 0.000 0.282 157 T C 0.845 175.554 174.700 0.016 0.000 0.993 157 T CA -0.447 61.664 62.100 0.018 0.000 0.994 157 T CB 0.949 69.841 68.868 0.040 0.000 1.025 157 T HN 0.622 nan 8.240 nan 0.000 0.529 158 N N 0.590 119.294 118.700 0.007 0.000 2.036 158 N HA -0.171 4.569 4.740 0.001 0.000 0.195 158 N C 1.262 176.792 175.510 0.034 0.000 1.037 158 N CA 1.521 54.572 53.050 0.001 0.000 0.855 158 N CB -0.172 38.313 38.487 -0.004 0.000 1.033 158 N HN 0.645 nan 8.380 nan 0.000 0.423 159 D N 0.809 121.260 120.400 0.085 0.000 2.178 159 D HA -0.130 4.511 4.640 0.001 0.000 0.201 159 D C 1.901 178.338 176.300 0.228 0.000 0.980 159 D CA 1.001 55.112 54.000 0.185 0.000 0.842 159 D CB -0.146 40.816 40.800 0.271 0.000 0.948 159 D HN 0.406 nan 8.370 nan 0.000 0.472 160 Q N -0.001 119.892 119.800 0.156 0.000 2.079 160 Q HA -0.023 4.318 4.340 0.001 0.000 0.200 160 Q C 2.428 178.516 176.000 0.147 0.000 0.974 160 Q CA 0.658 56.555 55.803 0.158 0.000 0.840 160 Q CB 0.068 28.877 28.738 0.118 0.000 0.898 160 Q HN 0.334 nan 8.270 nan 0.000 0.430 161 I N 0.377 121.008 120.570 0.102 0.000 2.454 161 I HA -0.255 3.915 4.170 0.001 0.000 0.254 161 I C 2.551 178.800 176.117 0.219 0.000 1.156 161 I CA 0.919 62.291 61.300 0.121 0.000 1.433 161 I CB -0.203 37.803 38.000 0.009 0.000 1.082 161 I HN 0.166 nan 8.210 nan 0.000 0.432 162 R N 0.495 121.045 120.500 0.084 0.000 2.057 162 R HA -0.110 4.230 4.340 0.001 0.000 0.224 162 R C 2.198 178.374 176.300 -0.208 0.000 1.136 162 R CA 1.337 57.405 56.100 -0.054 0.000 0.968 162 R CB -0.212 29.869 30.300 -0.365 0.000 0.863 162 R HN 0.229 nan 8.270 nan 0.000 0.433 163 Y N 0.234 120.585 120.300 0.085 0.000 2.397 163 Y HA -0.054 4.497 4.550 0.001 0.000 0.292 163 Y C 2.008 177.921 175.900 0.021 0.000 1.115 163 Y CA 0.164 58.287 58.100 0.038 0.000 1.208 163 Y CB -0.105 38.372 38.460 0.030 0.000 1.046 163 Y HN 0.102 nan 8.280 nan 0.000 0.552 164 L N 2.379 123.711 121.223 0.182 0.000 1.990 164 L HA -0.135 4.205 4.340 0.001 0.000 0.213 164 L C -0.608 176.309 176.870 0.079 0.000 1.072 164 L CA 2.027 56.937 54.840 0.118 0.000 0.755 164 L CB -1.752 40.394 42.059 0.144 0.000 0.889 164 L HN -0.009 nan 8.230 nan 0.000 0.432 165 P HA -0.210 nan 4.420 nan 0.000 0.217 165 P C 1.152 178.400 177.300 -0.086 0.000 1.148 165 P CA 1.493 64.642 63.100 0.082 0.000 0.828 165 P CB -0.164 31.625 31.700 0.148 0.000 0.783 166 Q N -0.543 119.204 119.800 -0.090 0.000 2.187 166 Q HA -0.006 4.335 4.340 0.001 0.000 0.199 166 Q C 2.394 178.357 176.000 -0.062 0.000 0.957 166 Q CA 0.681 56.399 55.803 -0.143 0.000 0.857 166 Q CB -0.980 27.742 28.738 -0.027 0.000 0.929 166 Q HN 0.341 nan 8.270 nan 0.000 0.453 167 L N -0.278 120.937 121.223 -0.014 0.000 2.072 167 L HA -0.113 4.227 4.340 0.001 0.000 0.205 167 L C 2.171 179.073 176.870 0.054 0.000 1.079 167 L CA 0.880 55.705 54.840 -0.025 0.000 0.752 167 L CB -0.249 41.685 42.059 -0.209 0.000 0.906 167 L HN 0.138 nan 8.230 nan 0.000 0.436 168 C N 0.377 119.669 119.300 -0.012 0.000 2.403 168 C HA -0.179 4.282 4.460 0.001 0.000 0.282 168 C C 2.617 177.514 174.990 -0.154 0.000 1.297 168 C CA 0.919 59.904 59.018 -0.056 0.000 1.785 168 C CB -1.363 26.417 27.740 0.067 0.000 1.963 168 C HN 0.469 nan 8.230 nan 0.000 0.507 169 R N 0.133 120.572 120.500 -0.103 0.000 2.357 169 R HA -0.088 4.252 4.340 0.001 0.000 0.202 169 R C 1.685 177.977 176.300 -0.013 0.000 1.047 169 R CA 0.886 56.942 56.100 -0.075 0.000 1.034 169 R CB -0.416 29.682 30.300 -0.336 0.000 0.875 169 R HN 0.896 nan 8.270 nan 0.000 0.473 170 Y N -1.098 119.246 120.300 0.073 0.000 2.384 170 Y HA -0.115 4.435 4.550 0.001 0.000 0.289 170 Y C 1.565 177.498 175.900 0.056 0.000 1.152 170 Y CA 0.606 58.746 58.100 0.067 0.000 1.258 170 Y CB -0.658 37.818 38.460 0.026 0.000 0.979 170 Y HN -0.041 nan 8.280 nan 0.000 0.549 171 L N 0.637 121.668 121.223 -0.321 0.000 2.265 171 L HA -0.156 4.185 4.340 0.001 0.000 0.215 171 L C 2.216 179.159 176.870 0.120 0.000 1.117 171 L CA 1.369 56.101 54.840 -0.180 0.000 0.782 171 L CB -0.530 41.169 42.059 -0.599 0.000 0.914 171 L HN 0.385 nan 8.230 nan 0.000 0.441 172 E N 0.054 120.338 120.200 0.141 0.000 2.110 172 E HA -0.195 4.156 4.350 0.001 0.000 0.193 172 E C 1.769 178.517 176.600 0.248 0.000 0.988 172 E CA 0.789 57.316 56.400 0.212 0.000 0.804 172 E CB 0.009 29.811 29.700 0.170 0.000 0.745 172 E HN 0.335 nan 8.360 nan 0.000 0.458 173 L N -0.012 121.353 121.223 0.236 0.000 2.610 173 L HA -0.076 4.265 4.340 0.001 0.000 0.232 173 L C 1.553 178.552 176.870 0.214 0.000 1.149 173 L CA 0.905 55.883 54.840 0.230 0.000 0.872 173 L CB -0.969 41.238 42.059 0.247 0.000 0.992 173 L HN 0.408 nan 8.230 nan 0.000 0.447 174 W N -0.622 120.745 121.300 0.112 0.000 2.872 174 W HA 0.040 4.700 4.660 0.001 0.000 0.266 174 W C 1.998 178.520 176.519 0.006 0.000 1.276 174 W CA 0.428 57.799 57.345 0.044 0.000 1.471 174 W CB 0.298 29.726 29.460 -0.053 0.000 1.071 174 W HN 0.323 nan 8.180 nan 0.000 0.619 175 H N -1.020 118.271 119.070 0.369 0.000 2.681 175 H HA 0.155 4.712 4.556 0.001 0.000 0.268 175 H C 1.719 177.099 175.328 0.088 0.000 0.967 175 H CA 1.148 57.364 56.048 0.279 0.000 1.233 175 H CB 0.501 30.387 29.762 0.207 0.000 1.445 175 H HN 0.076 nan 8.280 nan 0.000 0.494 176 G N 1.252 110.170 108.800 0.197 0.000 2.149 176 G HA2 -0.216 3.744 3.960 0.001 0.000 0.235 176 G HA3 -0.216 3.744 3.960 0.001 0.000 0.235 176 G C -0.561 174.405 174.900 0.110 0.000 1.018 176 G CA 0.074 45.218 45.100 0.073 0.000 0.728 176 G HN 0.105 nan 8.290 nan 0.000 0.508 177 L N -0.035 121.298 121.223 0.183 0.000 2.422 177 L HA 0.598 4.939 4.340 0.001 0.000 0.264 177 L C 0.027 177.011 176.870 0.190 0.000 0.984 177 L CA -1.084 53.864 54.840 0.181 0.000 0.819 177 L CB 1.926 44.112 42.059 0.212 0.000 1.330 177 L HN 0.288 nan 8.230 nan 0.000 0.410 178 D N 1.162 121.664 120.400 0.170 0.000 2.399 178 D HA -0.008 4.632 4.640 0.001 0.000 0.241 178 D C 0.908 177.418 176.300 0.350 0.000 1.133 178 D CA -0.064 54.072 54.000 0.227 0.000 0.890 178 D CB 0.780 41.689 40.800 0.182 0.000 1.201 178 D HN 0.493 nan 8.370 nan 0.000 0.432 179 W N 3.683 125.062 121.300 0.131 0.000 2.424 179 W HA -0.092 4.568 4.660 0.001 0.000 0.264 179 W C 0.612 177.225 176.519 0.157 0.000 1.229 179 W CA 0.613 58.085 57.345 0.212 0.000 1.208 179 W CB -0.901 28.675 29.460 0.193 0.000 1.127 179 W HN 0.414 nan 8.180 nan 0.000 0.588 180 K N 0.331 120.809 120.400 0.130 0.000 2.361 180 K HA 0.137 4.457 4.320 0.001 0.000 0.196 180 K C 1.905 178.462 176.600 -0.073 0.000 1.039 180 K CA 0.567 56.777 56.287 -0.129 0.000 1.001 180 K CB 0.022 32.328 32.500 -0.323 0.000 0.795 180 K HN 0.207 nan 8.250 nan 0.000 0.495 181 L N 0.565 121.763 121.223 -0.042 0.000 2.590 181 L HA 0.153 4.493 4.340 0.001 0.000 0.227 181 L C 0.306 177.114 176.870 -0.103 0.000 1.099 181 L CA -0.331 54.388 54.840 -0.202 0.000 0.872 181 L CB 0.189 42.077 42.059 -0.285 0.000 1.088 181 L HN 0.081 nan 8.230 nan 0.000 0.479 182 L N 0.634 121.897 121.223 0.066 0.000 2.331 182 L HA 0.210 4.551 4.340 0.001 0.000 0.278 182 L C 0.688 177.610 176.870 0.087 0.000 1.106 182 L CA 0.099 54.996 54.840 0.096 0.000 0.824 182 L CB 1.265 43.381 42.059 0.095 0.000 1.142 182 L HN -0.081 nan 8.230 nan 0.000 0.443 183 S N 4.137 119.869 115.700 0.052 0.000 2.498 183 S HA 0.298 4.768 4.470 0.001 0.000 0.281 183 S C 1.398 175.987 174.600 -0.019 0.000 1.265 183 S CA -0.010 58.204 58.200 0.024 0.000 1.071 183 S CB 0.630 63.838 63.200 0.013 0.000 0.894 183 S HN 0.925 nan 8.310 nan 0.000 0.491 184 A N 6.084 128.934 122.820 0.050 0.000 1.933 184 A HA -0.055 4.265 4.320 0.001 0.000 0.218 184 A C 2.156 179.684 177.584 -0.094 0.000 1.175 184 A CA 1.381 53.500 52.037 0.136 0.000 0.628 184 A CB -0.497 18.732 19.000 0.381 0.000 0.814 184 A HN 0.927 nan 8.150 nan 0.000 0.444 185 K N -0.539 119.588 120.400 -0.456 0.000 2.152 185 K HA -0.187 4.134 4.320 0.001 0.000 0.206 185 K C 0.576 177.041 176.600 -0.225 0.000 1.048 185 K CA 1.757 57.645 56.287 -0.666 0.000 0.933 185 K CB -0.206 31.933 32.500 -0.602 0.000 0.721 185 K HN 0.538 nan 8.250 nan 0.000 0.447 186 D N -1.293 119.031 120.400 -0.127 0.000 2.369 186 D HA 0.009 4.650 4.640 0.001 0.000 0.211 186 D C 1.160 177.460 176.300 -0.000 0.000 1.077 186 D CA 0.280 54.271 54.000 -0.014 0.000 0.842 186 D CB 0.546 41.356 40.800 0.016 0.000 0.947 186 D HN -0.000 nan 8.370 nan 0.000 0.509 187 T N 0.087 114.529 114.554 -0.188 0.000 2.595 187 T HA -0.149 4.202 4.350 0.001 0.000 0.264 187 T C 0.511 174.989 174.700 -0.371 0.000 1.058 187 T CA 1.164 62.972 62.100 -0.487 0.000 1.166 187 T CB -0.340 68.017 68.868 -0.851 0.000 0.863 187 T HN 0.117 nan 8.240 nan 0.000 0.415 188 Y N 1.691 121.886 120.300 -0.175 0.000 2.300 188 Y HA 0.469 5.020 4.550 0.001 0.000 0.328 188 Y C -0.075 175.766 175.900 -0.098 0.000 1.270 188 Y CA -1.119 56.837 58.100 -0.241 0.000 1.352 188 Y CB 0.462 38.836 38.460 -0.143 0.000 1.286 188 Y HN 0.326 nan 8.280 nan 0.000 0.536 189 F N -2.038 117.852 119.950 -0.101 0.000 2.829 189 F HA 0.621 5.149 4.527 0.001 0.000 0.319 189 F C -0.661 174.919 175.800 -0.368 0.000 1.153 189 F CA -2.023 55.845 58.000 -0.220 0.000 0.912 189 F CB 0.327 39.175 39.000 -0.253 0.000 1.292 189 F HN 0.590 nan 8.300 nan 0.000 0.447 190 G N 0.554 109.397 108.800 0.071 0.000 2.390 190 G HA2 0.472 4.432 3.960 0.001 0.000 0.270 190 G HA3 0.472 4.432 3.960 0.001 0.000 0.270 190 G C -1.350 173.499 174.900 -0.085 0.000 1.211 190 G CA -0.436 44.639 45.100 -0.043 0.000 0.842 190 G HN 0.808 nan 8.290 nan 0.000 0.519 191 H N 2.176 121.282 119.070 0.059 0.000 2.551 191 H HA 0.189 4.745 4.556 0.001 0.000 0.321 191 H C -0.121 175.243 175.328 0.059 0.000 1.028 191 H CA -0.501 55.582 56.048 0.059 0.000 1.215 191 H CB 1.888 31.620 29.762 -0.050 0.000 1.414 191 H HN 0.415 nan 8.280 nan 0.000 0.480 192 Q N 2.670 122.578 119.800 0.179 0.000 3.184 192 Q HA 0.289 4.629 4.340 0.001 0.000 0.288 192 Q C 0.991 177.046 176.000 0.092 0.000 1.412 192 Q CA -0.166 55.703 55.803 0.109 0.000 0.991 192 Q CB 0.050 28.835 28.738 0.079 0.000 1.688 192 Q HN 1.020 nan 8.270 nan 0.000 0.554 193 G N 1.001 109.862 108.800 0.103 0.000 2.631 193 G HA2 -0.207 3.753 3.960 0.001 0.000 0.504 193 G HA3 -0.207 3.753 3.960 0.001 0.000 0.504 193 G C -0.672 174.289 174.900 0.101 0.000 1.306 193 G CA -1.040 44.111 45.100 0.085 0.000 0.897 193 G HN 0.477 nan 8.290 nan 0.000 0.520 194 R N 0.140 120.716 120.500 0.127 0.000 2.801 194 R HA 0.277 4.618 4.340 0.001 0.000 0.273 194 R C 0.325 176.675 176.300 0.083 0.000 1.080 194 R CA -0.220 55.982 56.100 0.170 0.000 1.197 194 R CB 0.162 30.669 30.300 0.345 0.000 1.109 194 R HN 0.581 nan 8.270 nan 0.000 0.535 195 N N -0.307 118.430 118.700 0.061 0.000 2.456 195 N HA 0.373 5.113 4.740 0.001 0.000 0.296 195 N C -1.186 174.189 175.510 -0.226 0.000 1.102 195 N CA -0.386 52.647 53.050 -0.030 0.000 0.924 195 N CB 2.066 40.569 38.487 0.027 0.000 1.186 195 N HN 0.562 nan 8.380 nan 0.000 0.492 196 A N 1.618 124.234 122.820 -0.341 0.000 2.311 196 A HA 0.393 4.714 4.320 0.001 0.000 0.306 196 A C -0.949 176.688 177.584 0.090 0.000 1.189 196 A CA -0.677 51.090 52.037 -0.449 0.000 0.791 196 A CB 0.219 18.612 19.000 -1.013 0.000 1.172 196 A HN 0.598 nan 8.150 nan 0.000 0.481 197 F N 3.563 123.554 119.950 0.068 0.000 2.502 197 F HA 0.462 4.989 4.527 0.001 0.000 0.371 197 F C 0.848 176.568 175.800 -0.133 0.000 1.083 197 F CA -0.171 57.745 58.000 -0.140 0.000 1.174 197 F CB 0.543 39.481 39.000 -0.104 0.000 1.096 197 F HN 0.742 nan 8.300 nan 0.000 0.545 198 A N 7.293 129.698 122.820 -0.692 0.000 2.488 198 A HA 0.289 4.610 4.320 0.001 0.000 0.249 198 A C -0.100 177.179 177.584 -0.508 0.000 1.083 198 A CA -0.373 51.306 52.037 -0.597 0.000 0.768 198 A CB -0.066 18.242 19.000 -1.153 0.000 1.017 198 A HN 0.902 nan 8.150 nan 0.000 0.496 199 L N 2.407 123.515 121.223 -0.191 0.000 2.923 199 L HA 0.398 4.739 4.340 0.001 0.000 0.231 199 L C 0.881 177.678 176.870 -0.123 0.000 1.300 199 L CA 0.718 55.491 54.840 -0.112 0.000 1.184 199 L CB -0.976 41.074 42.059 -0.015 0.000 1.511 199 L HN 1.073 nan 8.230 nan 0.000 0.448 200 N N -0.930 117.660 118.700 -0.182 0.000 4.822 200 N HA -0.163 4.578 4.740 0.001 0.000 0.289 200 N C -0.067 175.392 175.510 -0.085 0.000 0.815 200 N CA -0.105 52.883 53.050 -0.104 0.000 0.750 200 N CB -1.977 nan 38.487 nan 0.000 1.647 200 N HN 0.312 nan 8.380 nan 0.000 0.647 201 Y N 0.334 120.542 120.300 -0.152 0.000 2.293 201 Y HA -0.178 4.372 4.550 0.001 0.000 0.291 201 Y C 2.461 178.332 175.900 -0.048 0.000 1.137 201 Y CA 1.992 60.015 58.100 -0.128 0.000 1.202 201 Y CB 0.418 38.775 38.460 -0.171 0.000 0.990 201 Y HN 0.883 nan 8.280 nan 0.000 0.537 202 D N -1.231 119.249 120.400 0.133 0.000 2.265 202 D HA -0.201 4.440 4.640 0.001 0.000 0.208 202 D C 2.013 178.356 176.300 0.071 0.000 0.977 202 D CA 1.299 55.354 54.000 0.091 0.000 0.871 202 D CB -0.664 40.169 40.800 0.055 0.000 0.925 202 D HN 0.242 nan 8.370 nan 0.000 0.485 203 S N -0.532 115.199 115.700 0.051 0.000 2.406 203 S HA -0.045 4.425 4.470 0.001 0.000 0.228 203 S C 1.958 176.595 174.600 0.061 0.000 1.020 203 S CA 0.685 58.904 58.200 0.032 0.000 0.965 203 S CB -0.185 63.016 63.200 0.002 0.000 0.798 203 S HN 0.188 nan 8.310 nan 0.000 0.488 204 V N 1.223 121.200 119.914 0.105 0.000 2.488 204 V HA -0.032 4.089 4.120 0.001 0.000 0.246 204 V C 2.438 178.630 176.094 0.163 0.000 1.046 204 V CA 1.318 63.707 62.300 0.148 0.000 1.053 204 V CB -0.518 31.440 31.823 0.225 0.000 0.679 204 V HN 0.385 nan 8.190 nan 0.000 0.458 205 V N -0.269 119.742 119.914 0.161 0.000 2.295 205 V HA -0.263 3.857 4.120 0.001 0.000 0.246 205 V C 2.656 178.809 176.094 0.098 0.000 1.049 205 V CA 1.770 64.154 62.300 0.139 0.000 1.024 205 V CB -0.663 31.228 31.823 0.114 0.000 0.648 205 V HN 0.494 nan 8.190 nan 0.000 0.447 206 Q N -0.124 119.714 119.800 0.064 0.000 2.050 206 Q HA -0.214 4.127 4.340 0.001 0.000 0.202 206 Q C 2.360 178.363 176.000 0.005 0.000 0.980 206 Q CA 1.917 57.731 55.803 0.020 0.000 0.840 206 Q CB -0.555 28.187 28.738 0.007 0.000 0.898 206 Q HN 0.649 nan 8.270 nan 0.000 0.424 207 R N 0.435 120.955 120.500 0.034 0.000 2.083 207 R HA -0.106 4.235 4.340 0.001 0.000 0.237 207 R C 2.270 178.599 176.300 0.050 0.000 1.137 207 R CA 1.298 57.417 56.100 0.033 0.000 0.951 207 R CB -0.256 30.078 30.300 0.058 0.000 0.851 207 R HN 0.226 nan 8.270 nan 0.000 0.434 208 I N 0.699 121.336 120.570 0.113 0.000 2.252 208 I HA -0.181 3.989 4.170 0.001 0.000 0.245 208 I C 2.583 178.772 176.117 0.119 0.000 1.102 208 I CA 1.109 62.514 61.300 0.175 0.000 1.385 208 I CB -0.437 37.722 38.000 0.266 0.000 1.064 208 I HN 0.316 nan 8.210 nan 0.000 0.414 209 A N 0.205 123.038 122.820 0.022 0.000 1.933 209 A HA -0.232 4.089 4.320 0.001 0.000 0.218 209 A C 2.184 179.399 177.584 -0.615 0.000 1.175 209 A CA 1.461 53.373 52.037 -0.209 0.000 0.628 209 A CB -0.510 18.432 19.000 -0.096 0.000 0.814 209 A HN 0.474 nan 8.150 nan 0.000 0.444 210 Q N 0.027 119.627 119.800 -0.333 0.000 2.451 210 Q HA -0.010 4.330 4.340 0.001 0.000 0.206 210 Q C 1.566 177.375 176.000 -0.317 0.000 0.947 210 Q CA 0.784 56.385 55.803 -0.337 0.000 0.937 210 Q CB 0.022 28.654 28.738 -0.177 0.000 1.025 210 Q HN 0.787 nan 8.270 nan 0.000 0.511 211 S N -0.129 115.429 115.700 -0.237 0.000 2.671 211 S HA 0.127 4.598 4.470 0.001 0.000 0.220 211 S C 0.048 174.601 174.600 -0.079 0.000 0.951 211 S CA -0.562 57.593 58.200 -0.075 0.000 0.932 211 S CB -0.362 62.887 63.200 0.082 0.000 0.777 211 S HN 0.312 nan 8.310 nan 0.000 0.508 212 F N -2.608 117.127 119.950 -0.359 0.000 2.645 212 F HA 0.775 5.303 4.527 0.001 0.000 0.310 212 F C -3.482 171.800 175.800 -0.863 0.000 1.102 212 F CA -3.152 54.368 58.000 -0.800 0.000 0.952 212 F CB -0.077 38.571 39.000 -0.587 0.000 1.326 212 F HN -0.299 nan 8.300 nan 0.000 0.456 213 P HA -0.005 nan 4.420 nan 0.000 0.255 213 P C 0.188 177.241 177.300 -0.411 0.000 1.161 213 P CA 0.452 63.072 63.100 -0.800 0.000 0.768 213 P CB 0.510 31.488 31.700 -1.204 0.000 0.746 214 Q N 2.772 122.401 119.800 -0.285 0.000 2.364 214 Q HA -0.124 4.216 4.340 0.001 0.000 0.207 214 Q C 1.332 177.342 176.000 0.016 0.000 0.970 214 Q CA 1.114 56.823 55.803 -0.157 0.000 0.888 214 Q CB -0.426 28.218 28.738 -0.157 0.000 0.951 214 Q HN 0.618 nan 8.270 nan 0.000 0.469 215 N N -1.206 117.532 118.700 0.065 0.000 2.461 215 N HA -0.123 4.617 4.740 0.001 0.000 0.188 215 N C 0.944 176.648 175.510 0.322 0.000 1.134 215 N CA 0.245 53.392 53.050 0.162 0.000 0.878 215 N CB -0.295 38.282 38.487 0.150 0.000 0.972 215 N HN 0.183 nan 8.380 nan 0.000 0.456 216 W N 0.932 122.290 121.300 0.096 0.000 2.476 216 W HA 0.263 4.923 4.660 0.001 0.000 0.281 216 W C 0.553 177.126 176.519 0.090 0.000 1.230 216 W CA -0.381 57.022 57.345 0.096 0.000 1.287 216 W CB -0.740 28.813 29.460 0.155 0.000 1.108 216 W HN 0.015 nan 8.180 nan 0.000 0.567 217 L N 2.042 123.492 121.223 0.377 0.000 2.361 217 L HA 0.151 4.491 4.340 0.001 0.000 0.278 217 L C 0.151 177.100 176.870 0.131 0.000 1.113 217 L CA 0.195 55.182 54.840 0.245 0.000 0.849 217 L CB 0.233 42.428 42.059 0.226 0.000 1.155 217 L HN -0.208 nan 8.230 nan 0.000 0.452 218 K N 5.956 126.405 120.400 0.082 0.000 2.527 218 K HA 0.431 4.751 4.320 0.001 0.000 0.240 218 K C -0.977 175.644 176.600 0.035 0.000 0.989 218 K CA -0.502 55.817 56.287 0.053 0.000 0.985 218 K CB 0.532 33.052 32.500 0.034 0.000 1.221 218 K HN 0.650 nan 8.250 nan 0.000 0.458 219 L N 1.566 122.811 121.223 0.037 0.000 2.479 219 L HA 0.209 4.549 4.340 0.001 0.000 0.249 219 L C 0.815 177.690 176.870 0.009 0.000 1.178 219 L CA -0.290 54.561 54.840 0.018 0.000 0.811 219 L CB 0.963 43.036 42.059 0.023 0.000 1.187 219 L HN 0.806 nan 8.230 nan 0.000 0.480 220 S N -1.006 114.688 115.700 -0.010 0.000 3.521 220 S HA -0.202 4.269 4.470 0.001 0.000 0.328 220 S C -0.177 174.422 174.600 -0.003 0.000 1.165 220 S CA 0.873 59.069 58.200 -0.007 0.000 0.941 220 S CB -1.395 61.813 63.200 0.014 0.000 0.951 220 S HN 0.741 nan 8.310 nan 0.000 0.539 221 c N 2.112 120.703 118.600 -0.015 0.000 2.291 221 c HA 0.668 5.238 4.570 0.001 0.000 0.322 221 c C 0.013 174.085 174.090 -0.031 0.000 1.205 221 c CA -0.732 55.600 56.329 0.004 0.000 1.495 221 c CB 0.524 43.057 42.510 0.039 0.000 2.127 221 c HN 0.566 nan 8.230 nan 0.000 0.452 222 E N 4.552 124.739 120.200 -0.022 0.000 2.200 222 E HA 0.468 4.819 4.350 0.001 0.000 0.283 222 E C -0.809 175.789 176.600 -0.005 0.000 1.015 222 E CA -0.364 56.016 56.400 -0.034 0.000 0.819 222 E CB 1.306 31.024 29.700 0.029 0.000 1.081 222 E HN 0.699 nan 8.360 nan 0.000 0.397 223 V N 6.386 126.289 119.914 -0.018 0.000 2.488 223 V HA 0.037 4.158 4.120 0.001 0.000 0.277 223 V C 1.145 177.221 176.094 -0.029 0.000 1.046 223 V CA 0.106 62.394 62.300 -0.021 0.000 0.986 223 V CB 1.082 32.879 31.823 -0.043 0.000 0.989 223 V HN 0.796 nan 8.190 nan 0.000 0.475 224 K N 2.797 123.176 120.400 -0.034 0.000 2.308 224 K HA 0.229 4.549 4.320 0.001 0.000 0.197 224 K C 0.491 177.036 176.600 -0.093 0.000 1.049 224 K CA 0.426 56.687 56.287 -0.043 0.000 0.991 224 K CB 0.567 33.055 32.500 -0.021 0.000 0.836 224 K HN 0.651 nan 8.250 nan 0.000 0.500 225 S N 0.174 115.804 115.700 -0.117 0.000 2.547 225 S HA 0.585 5.056 4.470 0.001 0.000 0.270 225 S C -1.018 173.468 174.600 -0.191 0.000 1.150 225 S CA -1.030 57.066 58.200 -0.172 0.000 0.850 225 S CB 1.398 64.538 63.200 -0.100 0.000 1.118 225 S HN 0.168 nan 8.310 nan 0.000 0.461 226 I N 1.634 122.040 120.570 -0.273 0.000 2.499 226 I HA 0.507 4.677 4.170 0.001 0.000 0.288 226 I C -0.930 175.148 176.117 -0.066 0.000 1.048 226 I CA -0.320 60.867 61.300 -0.187 0.000 1.062 226 I CB 2.550 40.380 38.000 -0.285 0.000 1.238 226 I HN 0.771 nan 8.210 nan 0.000 0.426 227 T N 4.541 119.083 114.554 -0.019 0.000 2.881 227 T HA 0.405 4.755 4.350 0.001 0.000 0.290 227 T C -0.474 174.234 174.700 0.013 0.000 1.000 227 T CA -0.701 61.408 62.100 0.014 0.000 0.978 227 T CB 1.716 70.584 68.868 -0.001 0.000 0.997 227 T HN 0.349 nan 8.240 nan 0.000 0.443 228 R N 2.897 123.415 120.500 0.029 0.000 2.202 228 R HA 0.292 4.632 4.340 0.001 0.000 0.334 228 R C -0.314 175.982 176.300 -0.007 0.000 1.036 228 R CA -0.339 55.764 56.100 0.005 0.000 0.878 228 R CB 0.215 30.524 30.300 0.015 0.000 1.067 228 R HN 0.401 nan 8.270 nan 0.000 0.457 229 E N 6.972 127.158 120.200 -0.024 0.000 2.223 229 E HA 0.112 4.463 4.350 0.001 0.000 0.282 229 E C -1.726 174.857 176.600 -0.029 0.000 1.046 229 E CA -2.263 54.123 56.400 -0.025 0.000 0.857 229 E CB 1.044 30.724 29.700 -0.033 0.000 1.055 229 E HN 0.523 nan 8.360 nan 0.000 0.409 230 P HA -0.131 nan 4.420 nan 0.000 0.234 230 P C 0.635 177.919 177.300 -0.028 0.000 1.162 230 P CA 0.821 63.909 63.100 -0.021 0.000 0.759 230 P CB 0.185 31.877 31.700 -0.013 0.000 0.813 231 S N -2.134 113.546 115.700 -0.034 0.000 2.634 231 S HA 0.357 4.827 4.470 0.001 0.000 0.221 231 S C 1.015 175.582 174.600 -0.054 0.000 0.952 231 S CA 0.418 58.595 58.200 -0.038 0.000 0.930 231 S CB -0.812 62.367 63.200 -0.035 0.000 0.780 231 S HN 0.244 nan 8.310 nan 0.000 0.498 232 K N -0.190 120.171 120.400 -0.065 0.000 3.294 232 K HA -0.111 4.209 4.320 0.001 0.000 0.277 232 K C -0.364 176.159 176.600 -0.127 0.000 1.235 232 K CA 0.964 57.193 56.287 -0.097 0.000 0.818 232 K CB -2.902 nan 32.500 nan 0.000 1.371 232 K HN 0.644 nan 8.250 nan 0.000 0.520 233 N N -1.290 117.347 118.700 -0.105 0.000 2.525 233 N HA 0.762 5.503 4.740 0.001 0.000 0.270 233 N C -1.205 174.252 175.510 -0.089 0.000 1.321 233 N CA -0.130 52.854 53.050 -0.111 0.000 0.797 233 N CB 2.370 40.809 38.487 -0.081 0.000 1.529 233 N HN 0.297 nan 8.380 nan 0.000 0.491 234 V N 0.959 120.821 119.914 -0.085 0.000 2.531 234 V HA 0.441 4.561 4.120 0.001 0.000 0.301 234 V C -0.227 175.846 176.094 -0.035 0.000 1.034 234 V CA -0.527 61.739 62.300 -0.057 0.000 0.865 234 V CB 1.686 33.471 31.823 -0.064 0.000 0.995 234 V HN 0.614 nan 8.190 nan 0.000 0.424 235 T N 4.471 119.012 114.554 -0.022 0.000 2.799 235 T HA 0.604 4.954 4.350 0.001 0.000 0.286 235 T C -0.300 174.398 174.700 -0.004 0.000 0.973 235 T CA -0.355 61.741 62.100 -0.007 0.000 1.035 235 T CB 1.498 70.358 68.868 -0.014 0.000 0.932 235 T HN 0.379 nan 8.240 nan 0.000 0.469 236 V N 4.714 124.647 119.914 0.033 0.000 2.444 236 V HA 0.431 4.551 4.120 0.001 0.000 0.294 236 V C -0.310 175.832 176.094 0.079 0.000 1.022 236 V CA -1.086 61.235 62.300 0.035 0.000 0.850 236 V CB 1.569 33.413 31.823 0.035 0.000 0.992 236 V HN 0.784 nan 8.190 nan 0.000 0.426 237 N N 2.499 121.213 118.700 0.022 0.000 2.408 237 N HA 0.430 5.171 4.740 0.001 0.000 0.280 237 N C -0.602 174.926 175.510 0.030 0.000 1.002 237 N CA -0.284 52.777 53.050 0.019 0.000 0.907 237 N CB 1.926 40.403 38.487 -0.017 0.000 1.161 237 N HN 0.574 nan 8.380 nan 0.000 0.488 238 c N 0.948 119.582 118.600 0.057 0.000 2.443 238 c HA 0.070 4.640 4.570 0.001 0.000 0.369 238 c C 2.220 176.323 174.090 0.022 0.000 1.241 238 c CA -0.392 55.970 56.329 0.056 0.000 2.413 238 c CB 0.585 43.157 42.510 0.103 0.000 2.451 238 c HN 0.822 nan 8.230 nan 0.000 0.595 239 E N 1.113 121.326 120.200 0.021 0.000 2.204 239 E HA -0.219 4.131 4.350 0.001 0.000 0.195 239 E C 1.015 177.621 176.600 0.011 0.000 0.990 239 E CA 2.171 58.581 56.400 0.016 0.000 0.821 239 E CB -0.321 29.396 29.700 0.028 0.000 0.750 239 E HN 0.787 nan 8.360 nan 0.000 0.477 240 D N -0.615 119.793 120.400 0.014 0.000 2.378 240 D HA 0.056 4.696 4.640 0.001 0.000 0.227 240 D C 1.463 177.757 176.300 -0.010 0.000 1.012 240 D CA 0.794 54.798 54.000 0.006 0.000 0.905 240 D CB 0.136 40.944 40.800 0.013 0.000 0.895 240 D HN 0.408 nan 8.370 nan 0.000 0.532 241 G N -0.199 108.591 108.800 -0.017 0.000 2.241 241 G HA2 -0.286 3.674 3.960 0.001 0.000 0.244 241 G HA3 -0.286 3.674 3.960 0.001 0.000 0.244 241 G C 0.558 175.415 174.900 -0.071 0.000 0.998 241 G CA 0.339 45.417 45.100 -0.037 0.000 0.621 241 G HN 0.855 nan 8.290 nan 0.000 0.519 242 T N -0.510 113.991 114.554 -0.089 0.000 2.916 242 T HA 0.555 4.905 4.350 0.001 0.000 0.303 242 T C 0.192 174.732 174.700 -0.266 0.000 1.025 242 T CA 0.128 62.101 62.100 -0.212 0.000 1.142 242 T CB 2.215 70.924 68.868 -0.266 0.000 0.947 242 T HN 0.927 nan 8.240 nan 0.000 0.544 243 V N 3.877 123.574 119.914 -0.361 0.000 2.628 243 V HA 0.574 4.695 4.120 0.001 0.000 0.306 243 V C -0.977 174.864 176.094 -0.421 0.000 1.045 243 V CA -0.963 61.181 62.300 -0.259 0.000 0.905 243 V CB 1.194 32.933 31.823 -0.140 0.000 0.997 243 V HN 0.952 nan 8.190 nan 0.000 0.436 244 Y N 2.013 122.285 120.300 -0.046 0.000 2.545 244 Y HA 0.526 5.077 4.550 0.001 0.000 0.348 244 Y C 0.119 175.984 175.900 -0.058 0.000 1.002 244 Y CA -0.800 57.268 58.100 -0.052 0.000 1.039 244 Y CB 2.036 40.460 38.460 -0.060 0.000 1.271 244 Y HN 0.582 nan 8.280 nan 0.000 0.467 245 N N 1.346 120.116 118.700 0.117 0.000 2.296 245 N HA 0.777 5.518 4.740 0.001 0.000 0.294 245 N C -1.859 173.653 175.510 0.004 0.000 1.033 245 N CA -0.155 52.913 53.050 0.030 0.000 0.839 245 N CB 1.997 40.483 38.487 -0.001 0.000 1.395 245 N HN 0.865 nan 8.380 nan 0.000 0.479 246 A N 2.352 125.149 122.820 -0.037 0.000 2.556 246 A HA 0.391 4.712 4.320 0.001 0.000 0.294 246 A C 0.126 177.643 177.584 -0.112 0.000 1.091 246 A CA -0.562 51.434 52.037 -0.068 0.000 0.704 246 A CB 1.200 20.151 19.000 -0.082 0.000 1.300 246 A HN 0.674 nan 8.150 nan 0.000 0.406 247 D N -0.581 119.740 120.400 -0.132 0.000 2.123 247 D HA 0.033 4.673 4.640 0.001 0.000 0.200 247 D C -0.482 175.516 176.300 -0.504 0.000 0.976 247 D CA 2.146 55.971 54.000 -0.293 0.000 0.831 247 D CB 0.063 40.732 40.800 -0.219 0.000 0.974 247 D HN 0.526 nan 8.370 nan 0.000 0.469 248 Y N -0.940 119.301 120.300 -0.098 0.000 2.553 248 Y HA 0.372 4.923 4.550 0.001 0.000 0.347 248 Y C -0.184 175.640 175.900 -0.126 0.000 1.019 248 Y CA -1.289 56.747 58.100 -0.107 0.000 1.032 248 Y CB 2.298 40.692 38.460 -0.111 0.000 1.284 248 Y HN -0.312 nan 8.280 nan 0.000 0.466 249 V N 0.573 120.508 119.914 0.035 0.000 2.709 249 V HA 0.707 4.828 4.120 0.001 0.000 0.308 249 V C -1.136 174.905 176.094 -0.089 0.000 1.062 249 V CA -0.966 61.304 62.300 -0.051 0.000 0.901 249 V CB 1.872 33.655 31.823 -0.067 0.000 1.003 249 V HN 0.695 nan 8.190 nan 0.000 0.425 250 I N 5.229 125.737 120.570 -0.104 0.000 2.382 250 I HA 0.489 4.659 4.170 0.001 0.000 0.286 250 I C -0.545 175.524 176.117 -0.079 0.000 1.002 250 I CA -0.439 60.791 61.300 -0.118 0.000 1.135 250 I CB 1.761 39.701 38.000 -0.100 0.000 1.288 250 I HN 0.538 nan 8.210 nan 0.000 0.448 251 I N 5.810 126.327 120.570 -0.089 0.000 2.297 251 I HA 0.143 4.314 4.170 0.001 0.000 0.291 251 I C 1.047 177.298 176.117 0.223 0.000 1.033 251 I CA 0.013 61.364 61.300 0.084 0.000 1.253 251 I CB 1.349 39.453 38.000 0.175 0.000 1.396 251 I HN 0.636 nan 8.210 nan 0.000 0.476 252 T N 2.891 117.552 114.554 0.178 0.000 3.182 252 T HA 0.197 4.548 4.350 0.001 0.000 0.277 252 T C 0.356 175.196 174.700 0.234 0.000 1.013 252 T CA -0.421 61.803 62.100 0.206 0.000 0.900 252 T CB -0.411 68.529 68.868 0.120 0.000 1.098 252 T HN 0.328 nan 8.240 nan 0.000 0.543 253 V N -0.510 119.545 119.914 0.234 0.000 3.096 253 V HA 0.459 4.579 4.120 0.001 0.000 0.306 253 V C -2.572 173.620 176.094 0.165 0.000 1.088 253 V CA -2.005 60.403 62.300 0.181 0.000 1.129 253 V CB -0.333 31.589 31.823 0.164 0.000 1.014 253 V HN 0.081 nan 8.190 nan 0.000 0.486 254 P HA 0.052 nan 4.420 nan 0.000 0.267 254 P C 0.661 177.798 177.300 -0.272 0.000 1.200 254 P CA 0.168 63.247 63.100 -0.035 0.000 0.772 254 P CB 0.373 32.096 31.700 0.038 0.000 0.855 255 Q N 2.363 121.802 119.800 -0.602 0.000 2.152 255 Q HA -0.229 4.112 4.340 0.001 0.000 0.206 255 Q C 1.626 177.404 176.000 -0.371 0.000 0.985 255 Q CA 2.500 57.985 55.803 -0.529 0.000 0.863 255 Q CB -0.318 28.187 28.738 -0.388 0.000 0.904 255 Q HN 0.577 nan 8.270 nan 0.000 0.422 256 S N -1.001 114.231 115.700 -0.779 0.000 2.402 256 S HA -0.079 4.391 4.470 0.001 0.000 0.229 256 S C 1.885 176.239 174.600 -0.411 0.000 1.021 256 S CA 1.133 58.878 58.200 -0.760 0.000 0.974 256 S CB -0.289 62.194 63.200 -1.196 0.000 0.800 256 S HN 0.250 nan 8.310 nan 0.000 0.484 257 V N 1.384 121.130 119.914 -0.279 0.000 2.407 257 V HA 0.035 4.155 4.120 0.001 0.000 0.245 257 V C 2.375 178.423 176.094 -0.077 0.000 1.041 257 V CA 1.311 63.538 62.300 -0.121 0.000 1.040 257 V CB -0.691 31.130 31.823 -0.003 0.000 0.671 257 V HN 0.456 nan 8.190 nan 0.000 0.455 258 L N 1.033 122.236 121.223 -0.034 0.000 2.191 258 L HA -0.121 4.219 4.340 0.001 0.000 0.212 258 L C 2.150 178.956 176.870 -0.107 0.000 1.103 258 L CA 1.757 56.652 54.840 0.091 0.000 0.769 258 L CB -1.048 41.136 42.059 0.209 0.000 0.908 258 L HN 0.316 nan 8.230 nan 0.000 0.438 259 N N -0.049 118.373 118.700 -0.463 0.000 2.223 259 N HA -0.183 4.558 4.740 0.001 0.000 0.185 259 N C 1.780 176.931 175.510 -0.597 0.000 1.016 259 N CA 1.400 53.763 53.050 -1.144 0.000 0.863 259 N CB -0.149 37.739 38.487 -0.999 0.000 0.983 259 N HN 0.482 nan 8.380 nan 0.000 0.429 260 L N 0.051 121.088 121.223 -0.310 0.000 2.191 260 L HA -0.102 4.239 4.340 0.001 0.000 0.212 260 L C 2.221 179.029 176.870 -0.104 0.000 1.103 260 L CA 0.628 55.362 54.840 -0.177 0.000 0.769 260 L CB -0.430 41.567 42.059 -0.104 0.000 0.908 260 L HN 0.055 nan 8.230 nan 0.000 0.438 261 S N -0.012 115.661 115.700 -0.045 0.000 2.419 261 S HA -0.121 4.349 4.470 0.001 0.000 0.235 261 S C 1.578 176.204 174.600 0.043 0.000 1.019 261 S CA 1.409 59.664 58.200 0.091 0.000 0.982 261 S CB -0.259 63.135 63.200 0.322 0.000 0.789 261 S HN 0.454 nan 8.310 nan 0.000 0.490 262 V N -0.222 119.653 119.914 -0.066 0.000 3.416 262 V HA 0.360 4.480 4.120 0.001 0.000 0.334 262 V C -0.179 175.881 176.094 -0.056 0.000 1.271 262 V CA -0.127 62.145 62.300 -0.047 0.000 1.274 262 V CB -0.979 30.799 31.823 -0.075 0.000 1.153 262 V HN 0.270 nan 8.190 nan 0.000 0.433 263 Q N 1.381 121.153 119.800 -0.047 0.000 2.416 263 Q HA 0.545 4.885 4.340 0.001 0.000 0.281 263 Q C -2.921 173.067 176.000 -0.020 0.000 1.067 263 Q CA -1.900 53.878 55.803 -0.042 0.000 0.809 263 Q CB 3.030 31.726 28.738 -0.069 0.000 1.418 263 Q HN 0.225 nan 8.270 nan 0.000 0.411 264 P HA 0.160 nan 4.420 nan 0.000 0.279 264 P C -0.836 176.457 177.300 -0.012 0.000 1.239 264 P CA -0.000 63.096 63.100 -0.007 0.000 0.789 264 P CB 1.049 32.746 31.700 -0.005 0.000 0.933 265 E N 0.750 120.945 120.200 -0.008 0.000 7.501 265 E HA 0.049 4.400 4.350 0.001 0.000 0.196 265 E C -0.286 176.308 176.600 -0.011 0.000 0.892 265 E CA 0.608 57.001 56.400 -0.011 0.000 1.690 265 E CB -1.596 28.093 29.700 -0.017 0.000 0.893 265 E HN 0.430 nan 8.360 nan 0.000 0.263 266 K N 3.837 124.233 120.400 -0.007 0.000 2.404 266 K HA 0.188 4.508 4.320 0.001 0.000 0.194 266 K C 0.982 177.577 176.600 -0.007 0.000 1.023 266 K CA 0.771 57.054 56.287 -0.006 0.000 1.094 266 K CB -0.206 32.291 32.500 -0.005 0.000 0.841 266 K HN 0.521 nan 8.250 nan 0.000 0.523 267 N N 0.870 119.564 118.700 -0.009 0.000 2.466 267 N HA 0.174 4.915 4.740 0.001 0.000 0.251 267 N C -0.938 174.563 175.510 -0.015 0.000 1.164 267 N CA -0.205 52.839 53.050 -0.009 0.000 0.888 267 N CB -0.136 38.346 38.487 -0.009 0.000 1.177 267 N HN 0.311 nan 8.380 nan 0.000 0.498 268 L N 1.349 122.562 121.223 -0.017 0.000 2.307 268 L HA 0.433 4.773 4.340 0.001 0.000 0.284 268 L C 0.372 177.228 176.870 -0.023 0.000 1.023 268 L CA -1.088 53.734 54.840 -0.030 0.000 0.810 268 L CB 1.412 43.449 42.059 -0.038 0.000 1.231 268 L HN 0.081 nan 8.230 nan 0.000 0.423 269 R N 2.064 122.533 120.500 -0.052 0.000 2.486 269 R HA 0.101 4.441 4.340 0.001 0.000 0.303 269 R C 1.090 177.389 176.300 -0.002 0.000 0.958 269 R CA 0.975 57.038 56.100 -0.061 0.000 1.077 269 R CB -0.187 29.965 30.300 -0.245 0.000 0.921 269 R HN 1.003 nan 8.270 nan 0.000 0.406 270 G N 2.603 111.519 108.800 0.194 0.000 2.299 270 G HA2 -0.342 3.618 3.960 0.001 0.000 0.237 270 G HA3 -0.342 3.618 3.960 0.001 0.000 0.237 270 G C 0.442 175.412 174.900 0.117 0.000 1.027 270 G CA 0.350 45.607 45.100 0.262 0.000 0.619 270 G HN 0.599 nan 8.290 nan 0.000 0.513 271 R N 0.884 121.417 120.500 0.055 0.000 2.585 271 R HA 0.445 4.786 4.340 0.001 0.000 0.275 271 R C -0.114 176.189 176.300 0.006 0.000 1.018 271 R CA 0.142 56.258 56.100 0.026 0.000 1.072 271 R CB -0.024 30.278 30.300 0.002 0.000 0.953 271 R HN 0.336 nan 8.270 nan 0.000 0.419 272 I N 3.245 123.809 120.570 -0.011 0.000 2.378 272 I HA 0.143 4.313 4.170 0.001 0.000 0.291 272 I C -0.355 175.659 176.117 -0.172 0.000 0.992 272 I CA -0.807 60.399 61.300 -0.155 0.000 1.154 272 I CB 1.889 39.696 38.000 -0.323 0.000 1.315 272 I HN 0.600 nan 8.210 nan 0.000 0.448 273 E N 6.231 126.327 120.200 -0.173 0.000 2.152 273 E HA 0.313 4.664 4.350 0.001 0.000 0.285 273 E C -1.545 174.965 176.600 -0.150 0.000 1.043 273 E CA -0.008 56.348 56.400 -0.074 0.000 0.839 273 E CB 0.412 30.088 29.700 -0.041 0.000 1.069 273 E HN 0.224 nan 8.360 nan 0.000 0.399 274 F N 3.541 123.518 119.950 0.046 0.000 2.408 274 F HA 0.388 4.916 4.527 0.001 0.000 0.344 274 F C 0.350 176.174 175.800 0.039 0.000 1.112 274 F CA -0.416 57.617 58.000 0.054 0.000 1.096 274 F CB 1.419 40.471 39.000 0.085 0.000 1.129 274 F HN 0.250 nan 8.300 nan 0.000 0.486 275 Q N 5.152 125.080 119.800 0.213 0.000 2.275 275 Q HA 0.308 4.649 4.340 0.001 0.000 0.266 275 Q C -2.616 173.453 176.000 0.115 0.000 1.002 275 Q CA -2.085 53.794 55.803 0.128 0.000 0.761 275 Q CB 2.411 31.189 28.738 0.066 0.000 1.255 275 Q HN 0.285 nan 8.270 nan 0.000 0.446 276 P HA 0.180 nan 4.420 nan 0.000 0.272 276 P C -2.415 174.963 177.300 0.131 0.000 1.240 276 P CA -1.076 62.078 63.100 0.090 0.000 0.791 276 P CB -0.041 31.693 31.700 0.057 0.000 0.978 277 P HA 0.041 nan 4.420 nan 0.000 0.270 277 P C 0.140 177.470 177.300 0.050 0.000 1.227 277 P CA 0.076 63.250 63.100 0.123 0.000 0.788 277 P CB 0.479 32.230 31.700 0.085 0.000 0.926 278 L N 1.053 122.262 121.223 -0.023 0.000 2.540 278 L HA 0.003 4.344 4.340 0.001 0.000 0.276 278 L C 1.415 178.255 176.870 -0.051 0.000 1.212 278 L CA 0.224 54.984 54.840 -0.134 0.000 0.893 278 L CB -0.454 41.483 42.059 -0.205 0.000 1.138 278 L HN 0.325 nan 8.230 nan 0.000 0.491 279 K N 5.227 125.598 120.400 -0.049 0.000 2.518 279 K HA -0.029 4.292 4.320 0.001 0.000 0.276 279 K C -1.306 175.274 176.600 -0.034 0.000 0.974 279 K CA -0.984 55.286 56.287 -0.028 0.000 0.986 279 K CB 0.151 32.636 32.500 -0.025 0.000 0.901 279 K HN 0.426 nan 8.250 nan 0.000 0.497 280 P HA -0.172 nan 4.420 nan 0.000 0.218 280 P C 1.183 178.461 177.300 -0.037 0.000 1.146 280 P CA 1.130 64.220 63.100 -0.017 0.000 0.813 280 P CB -0.006 31.689 31.700 -0.008 0.000 0.778 281 V N 0.256 120.140 119.914 -0.051 0.000 2.295 281 V HA -0.238 3.883 4.120 0.001 0.000 0.246 281 V C 2.734 178.752 176.094 -0.127 0.000 1.049 281 V CA 1.685 63.941 62.300 -0.073 0.000 1.024 281 V CB -1.246 30.538 31.823 -0.066 0.000 0.648 281 V HN 0.012 nan 8.190 nan 0.000 0.447 282 I N -0.435 120.041 120.570 -0.156 0.000 2.163 282 I HA -0.258 3.912 4.170 0.001 0.000 0.240 282 I C 2.817 178.764 176.117 -0.284 0.000 1.081 282 I CA 1.593 62.724 61.300 -0.283 0.000 1.353 282 I CB -0.506 37.321 38.000 -0.289 0.000 1.054 282 I HN 0.306 nan 8.210 nan 0.000 0.407 283 Q N 0.678 120.444 119.800 -0.058 0.000 2.096 283 Q HA -0.276 4.064 4.340 0.001 0.000 0.208 283 Q C 1.749 177.824 176.000 0.125 0.000 0.993 283 Q CA 2.062 57.955 55.803 0.150 0.000 0.862 283 Q CB -0.175 28.618 28.738 0.092 0.000 0.915 283 Q HN 0.491 nan 8.270 nan 0.000 0.416 284 D N -0.320 120.081 120.400 0.002 0.000 2.264 284 D HA -0.067 4.573 4.640 0.001 0.000 0.208 284 D C 1.504 177.770 176.300 -0.056 0.000 0.966 284 D CA 0.972 54.969 54.000 -0.006 0.000 0.864 284 D CB -0.139 40.651 40.800 -0.018 0.000 0.933 284 D HN 0.277 nan 8.370 nan 0.000 0.499 285 A N -0.032 122.683 122.820 -0.174 0.000 2.067 285 A HA -0.095 4.225 4.320 0.001 0.000 0.219 285 A C 1.805 179.244 177.584 -0.241 0.000 1.158 285 A CA 0.497 52.391 52.037 -0.238 0.000 0.661 285 A CB -0.952 17.839 19.000 -0.349 0.000 0.801 285 A HN 0.188 nan 8.150 nan 0.000 0.452 286 F N 0.296 120.171 119.950 -0.125 0.000 2.451 286 F HA -0.138 4.390 4.527 0.001 0.000 0.299 286 F C 1.679 177.353 175.800 -0.210 0.000 1.101 286 F CA 0.898 58.796 58.000 -0.169 0.000 1.436 286 F CB 0.092 39.000 39.000 -0.154 0.000 1.074 286 F HN 0.238 nan 8.300 nan 0.000 0.553 287 D N -0.394 120.016 120.400 0.017 0.000 2.249 287 D HA -0.045 4.595 4.640 0.001 0.000 0.205 287 D C 1.673 177.962 176.300 -0.018 0.000 0.962 287 D CA 0.789 54.783 54.000 -0.009 0.000 0.860 287 D CB -0.081 40.738 40.800 0.033 0.000 0.955 287 D HN 0.132 nan 8.370 nan 0.000 0.505 288 K N 0.285 120.663 120.400 -0.036 0.000 2.437 288 K HA 0.234 4.555 4.320 0.001 0.000 0.205 288 K C 0.075 176.671 176.600 -0.006 0.000 1.026 288 K CA -0.401 55.889 56.287 0.005 0.000 1.153 288 K CB 0.995 33.491 32.500 -0.007 0.000 0.863 288 K HN 0.134 nan 8.250 nan 0.000 0.502 289 I N -0.683 119.823 120.570 -0.105 0.000 2.775 289 I HA 0.251 4.421 4.170 0.001 0.000 0.295 289 I C -1.180 174.762 176.117 -0.291 0.000 1.287 289 I CA -0.574 60.682 61.300 -0.074 0.000 1.029 289 I CB 1.582 39.551 38.000 -0.050 0.000 1.282 289 I HN 0.056 nan 8.210 nan 0.000 0.426 290 H N 4.688 123.641 119.070 -0.195 0.000 3.196 290 H HA 0.673 5.230 4.556 0.001 0.000 0.303 290 H C -1.642 173.670 175.328 -0.026 0.000 1.605 290 H CA -0.423 55.450 56.048 -0.293 0.000 1.351 290 H CB 1.179 30.301 29.762 -1.068 0.000 1.860 290 H HN 0.400 nan 8.280 nan 0.000 0.697 291 F N 0.603 120.485 119.950 -0.112 0.000 2.507 291 F HA 0.535 5.062 4.527 0.001 0.000 0.328 291 F C 0.531 176.313 175.800 -0.030 0.000 1.136 291 F CA -0.533 57.431 58.000 -0.060 0.000 0.930 291 F CB 1.313 40.290 39.000 -0.038 0.000 1.166 291 F HN 0.586 nan 8.300 nan 0.000 0.436 292 G N 1.880 110.522 108.800 -0.263 0.000 2.557 292 G HA2 0.552 4.513 3.960 0.001 0.000 0.292 292 G HA3 0.552 4.513 3.960 0.001 0.000 0.292 292 G C -1.116 173.639 174.900 -0.242 0.000 1.237 292 G CA -0.361 44.626 45.100 -0.189 0.000 0.978 292 G HN 0.928 nan 8.290 nan 0.000 0.498 293 A N 0.183 122.932 122.820 -0.120 0.000 3.258 293 A HA 0.494 4.814 4.320 0.001 0.000 0.318 293 A C -0.348 177.218 177.584 -0.030 0.000 0.990 293 A CA -0.459 51.549 52.037 -0.048 0.000 0.885 293 A CB 0.108 19.151 19.000 0.071 0.000 1.090 293 A HN 0.662 nan 8.150 nan 0.000 0.479 294 L N 1.467 122.612 121.223 -0.131 0.000 2.453 294 L HA 0.615 4.955 4.340 0.001 0.000 0.272 294 L C 0.545 177.479 176.870 0.108 0.000 1.182 294 L CA 0.783 55.631 54.840 0.013 0.000 0.858 294 L CB 0.813 42.904 42.059 0.053 0.000 1.120 294 L HN 0.458 nan 8.230 nan 0.000 0.474 295 G N 4.124 113.008 108.800 0.140 0.000 2.630 295 G HA2 0.629 4.590 3.960 0.001 0.000 0.296 295 G HA3 0.629 4.590 3.960 0.001 0.000 0.296 295 G C -1.431 173.546 174.900 0.128 0.000 1.285 295 G CA -0.753 44.444 45.100 0.162 0.000 0.958 295 G HN 0.567 nan 8.290 nan 0.000 0.479 296 K N -0.704 119.751 120.400 0.091 0.000 2.435 296 K HA 0.694 5.015 4.320 0.001 0.000 0.251 296 K C -1.577 174.953 176.600 -0.116 0.000 0.954 296 K CA -0.808 55.486 56.287 0.011 0.000 0.820 296 K CB 3.111 35.646 32.500 0.058 0.000 1.292 296 K HN 0.260 nan 8.250 nan 0.000 0.436 297 V N 3.393 123.171 119.914 -0.227 0.000 2.655 297 V HA 0.332 4.453 4.120 0.001 0.000 0.301 297 V C -0.998 174.782 176.094 -0.523 0.000 1.082 297 V CA -0.916 61.109 62.300 -0.458 0.000 0.899 297 V CB 1.708 33.119 31.823 -0.688 0.000 1.014 297 V HN 0.608 nan 8.190 nan 0.000 0.429 298 I N 4.703 124.933 120.570 -0.567 0.000 2.321 298 I HA 0.480 4.650 4.170 0.001 0.000 0.291 298 I C -0.596 175.153 176.117 -0.614 0.000 0.998 298 I CA -0.477 60.516 61.300 -0.512 0.000 1.227 298 I CB 0.963 38.545 38.000 -0.697 0.000 1.368 298 I HN 0.405 nan 8.210 nan 0.000 0.466 299 F N 4.467 124.278 119.950 -0.230 0.000 2.361 299 F HA 0.368 4.895 4.527 0.001 0.000 0.364 299 F C 0.738 176.270 175.800 -0.448 0.000 1.117 299 F CA -0.592 57.193 58.000 -0.358 0.000 1.071 299 F CB 0.957 39.783 39.000 -0.290 0.000 1.188 299 F HN 0.394 nan 8.300 nan 0.000 0.464 300 E N 3.895 123.882 120.200 -0.354 0.000 2.156 300 E HA 0.427 4.777 4.350 0.001 0.000 0.279 300 E C -1.077 175.271 176.600 -0.420 0.000 0.965 300 E CA -0.527 55.748 56.400 -0.209 0.000 0.789 300 E CB 1.459 31.122 29.700 -0.062 0.000 1.098 300 E HN 0.343 nan 8.360 nan 0.000 0.397 301 F N 0.938 120.908 119.950 0.033 0.000 2.541 301 F HA 0.157 4.684 4.527 0.001 0.000 0.331 301 F C 1.674 177.493 175.800 0.031 0.000 1.057 301 F CA -0.784 57.225 58.000 0.016 0.000 0.975 301 F CB 1.117 40.213 39.000 0.159 0.000 1.246 301 F HN 0.417 nan 8.300 nan 0.000 0.484 302 E N 1.038 121.359 120.200 0.201 0.000 2.023 302 E HA -0.163 4.188 4.350 0.001 0.000 0.196 302 E C -0.347 176.364 176.600 0.184 0.000 1.003 302 E CA 1.825 58.326 56.400 0.169 0.000 0.809 302 E CB 0.032 29.803 29.700 0.118 0.000 0.755 302 E HN 0.694 nan 8.360 nan 0.000 0.449 303 E N -2.408 117.869 120.200 0.129 0.000 2.423 303 E HA 0.307 4.658 4.350 0.001 0.000 0.280 303 E C -1.336 175.127 176.600 -0.229 0.000 1.030 303 E CA -0.854 55.543 56.400 -0.005 0.000 0.812 303 E CB 0.689 30.369 29.700 -0.034 0.000 1.313 303 E HN 0.099 nan 8.360 nan 0.000 0.456 304 C N 1.526 120.532 119.300 -0.490 0.000 2.585 304 C HA 0.533 4.994 4.460 0.001 0.000 0.406 304 C C 0.901 175.398 174.990 -0.822 0.000 1.312 304 C CA 0.071 58.364 59.018 -1.209 0.000 1.924 304 C CB -1.277 25.835 27.740 -1.046 0.000 2.578 304 C HN 0.770 nan 8.230 nan 0.000 0.580 305 C N 4.568 123.365 119.300 -0.838 0.000 3.214 305 C HA 0.603 5.063 4.460 0.001 0.000 0.261 305 C C -0.670 174.270 174.990 -0.083 0.000 2.279 305 C CA -0.811 58.029 59.018 -0.297 0.000 1.606 305 C CB -2.254 25.422 27.740 -0.105 0.000 3.251 305 C HN 0.993 nan 8.230 nan 0.000 0.443 306 W N -0.625 120.630 121.300 -0.074 0.000 3.032 306 W HA 0.770 5.431 4.660 0.001 0.000 0.341 306 W C -0.286 176.218 176.519 -0.025 0.000 1.202 306 W CA -1.156 56.156 57.345 -0.055 0.000 1.132 306 W CB 0.238 29.658 29.460 -0.066 0.000 1.465 306 W HN 0.078 nan 8.180 nan 0.000 0.576 307 S N 1.216 117.075 115.700 0.265 0.000 2.549 307 S HA 0.118 4.589 4.470 0.001 0.000 0.283 307 S C 0.099 174.825 174.600 0.210 0.000 1.320 307 S CA -0.124 58.167 58.200 0.151 0.000 1.058 307 S CB -0.001 63.262 63.200 0.105 0.000 0.882 307 S HN 0.500 nan 8.310 nan 0.000 0.498 308 N N 3.488 122.246 118.700 0.097 0.000 2.546 308 N HA 0.098 4.838 4.740 0.001 0.000 0.286 308 N C 1.018 176.557 175.510 0.049 0.000 1.259 308 N CA -0.098 53.009 53.050 0.096 0.000 0.939 308 N CB 0.530 39.041 38.487 0.040 0.000 1.243 308 N HN 0.828 nan 8.380 nan 0.000 0.511 309 E N -0.092 120.134 120.200 0.042 0.000 2.085 309 E HA -0.081 4.270 4.350 0.001 0.000 0.194 309 E C -0.029 176.565 176.600 -0.011 0.000 0.994 309 E CA 0.714 57.121 56.400 0.010 0.000 0.801 309 E CB 0.322 30.026 29.700 0.006 0.000 0.743 309 E HN 0.098 nan 8.360 nan 0.000 0.453 310 S N -1.890 113.798 115.700 -0.021 0.000 2.579 310 S HA 0.234 4.704 4.470 0.001 0.000 0.272 310 S C 0.075 174.626 174.600 -0.081 0.000 1.141 310 S CA -0.205 57.956 58.200 -0.064 0.000 0.843 310 S CB 1.733 64.868 63.200 -0.108 0.000 1.122 310 S HN 0.171 nan 8.310 nan 0.000 0.468 311 S N 1.651 117.285 115.700 -0.110 0.000 2.556 311 S HA 0.376 4.846 4.470 0.001 0.000 0.216 311 S C -0.119 174.356 174.600 -0.209 0.000 0.970 311 S CA -0.241 57.886 58.200 -0.122 0.000 0.912 311 S CB -0.119 63.029 63.200 -0.087 0.000 0.790 311 S HN 0.469 nan 8.310 nan 0.000 0.504 312 K N 1.579 121.800 120.400 -0.298 0.000 2.450 312 K HA 0.565 4.885 4.320 0.001 0.000 0.257 312 K C -1.310 175.075 176.600 -0.358 0.000 0.953 312 K CA -0.213 55.820 56.287 -0.423 0.000 0.844 312 K CB 1.785 33.664 32.500 -1.035 0.000 1.103 312 K HN 0.291 nan 8.250 nan 0.000 0.429 313 I N 2.008 122.478 120.570 -0.166 0.000 2.498 313 I HA 0.396 4.566 4.170 0.001 0.000 0.290 313 I C -0.665 175.582 176.117 0.217 0.000 1.032 313 I CA -1.243 60.011 61.300 -0.078 0.000 1.073 313 I CB 2.350 40.215 38.000 -0.225 0.000 1.251 313 I HN 0.045 nan 8.210 nan 0.000 0.426 314 V N 3.751 123.790 119.914 0.207 0.000 2.577 314 V HA 0.420 4.540 4.120 0.001 0.000 0.303 314 V C -0.147 176.157 176.094 0.350 0.000 1.042 314 V CA -0.553 61.987 62.300 0.400 0.000 0.872 314 V CB 2.384 34.503 31.823 0.495 0.000 0.998 314 V HN 0.842 nan 8.190 nan 0.000 0.423 315 T N 3.981 118.753 114.554 0.363 0.000 2.767 315 T HA 0.738 5.089 4.350 0.001 0.000 0.288 315 T C -0.387 174.527 174.700 0.357 0.000 0.963 315 T CA -0.545 61.749 62.100 0.323 0.000 1.019 315 T CB 0.729 69.706 68.868 0.182 0.000 0.923 315 T HN 0.344 nan 8.240 nan 0.000 0.468 316 L N 2.581 124.033 121.223 0.382 0.000 2.418 316 L HA 0.612 4.952 4.340 0.001 0.000 0.265 316 L C 1.100 178.173 176.870 0.340 0.000 1.143 316 L CA -1.154 53.869 54.840 0.305 0.000 0.809 316 L CB 0.460 42.675 42.059 0.261 0.000 1.124 316 L HN 0.868 nan 8.230 nan 0.000 0.456 317 A N 2.087 125.031 122.820 0.206 0.000 2.386 317 A HA 0.223 4.544 4.320 0.001 0.000 0.248 317 A C 0.030 177.715 177.584 0.168 0.000 1.082 317 A CA -0.579 51.582 52.037 0.206 0.000 0.789 317 A CB -0.028 19.008 19.000 0.061 0.000 1.025 317 A HN 0.774 nan 8.150 nan 0.000 0.490 318 N N 0.803 119.601 118.700 0.163 0.000 2.353 318 N HA 0.186 4.927 4.740 0.001 0.000 0.248 318 N C 0.230 175.741 175.510 0.002 0.000 1.240 318 N CA 0.968 54.044 53.050 0.043 0.000 0.862 318 N CB 0.431 38.918 38.487 -0.000 0.000 1.086 318 N HN 0.791 nan 8.380 nan 0.000 0.453 319 S N -1.151 114.529 115.700 -0.032 0.000 2.632 319 S HA 0.781 5.252 4.470 0.001 0.000 0.289 319 S C -0.290 174.262 174.600 -0.080 0.000 1.115 319 S CA -0.911 57.232 58.200 -0.094 0.000 0.889 319 S CB 1.902 64.992 63.200 -0.184 0.000 1.116 319 S HN 0.569 nan 8.310 nan 0.000 0.486 320 T N -1.874 112.652 114.554 -0.047 0.000 2.907 320 T HA 0.458 4.809 4.350 0.001 0.000 0.292 320 T C 0.495 175.216 174.700 0.034 0.000 1.043 320 T CA -0.749 61.351 62.100 -0.001 0.000 1.003 320 T CB 1.212 70.102 68.868 0.037 0.000 1.084 320 T HN 0.421 nan 8.240 nan 0.000 0.483 321 N N 0.605 119.311 118.700 0.009 0.000 2.331 321 N HA -0.035 4.705 4.740 0.001 0.000 0.180 321 N C 1.537 177.062 175.510 0.026 0.000 1.019 321 N CA 1.130 54.185 53.050 0.007 0.000 0.881 321 N CB -0.568 37.914 38.487 -0.008 0.000 0.972 321 N HN 0.818 nan 8.380 nan 0.000 0.435 322 E N 0.111 120.336 120.200 0.042 0.000 2.153 322 E HA -0.080 4.271 4.350 0.001 0.000 0.194 322 E C 1.537 178.172 176.600 0.058 0.000 0.988 322 E CA 0.643 57.065 56.400 0.036 0.000 0.811 322 E CB -0.394 29.331 29.700 0.042 0.000 0.746 322 E HN 0.587 nan 8.360 nan 0.000 0.466 323 F N 0.834 120.767 119.950 -0.028 0.000 2.075 323 F HA -0.228 4.300 4.527 0.001 0.000 0.297 323 F C 1.928 177.708 175.800 -0.034 0.000 1.113 323 F CA 1.101 59.091 58.000 -0.017 0.000 1.218 323 F CB -0.526 38.469 39.000 -0.007 0.000 0.984 323 F HN -0.140 nan 8.300 nan 0.000 0.472 324 V N 1.205 121.034 119.914 -0.141 0.000 2.252 324 V HA -0.372 3.748 4.120 0.001 0.000 0.249 324 V C 2.315 178.264 176.094 -0.241 0.000 1.056 324 V CA 2.497 64.655 62.300 -0.237 0.000 1.022 324 V CB -1.043 30.732 31.823 -0.080 0.000 0.641 324 V HN 0.412 nan 8.190 nan 0.000 0.445 325 E N 0.065 120.178 120.200 -0.146 0.000 2.097 325 E HA -0.238 4.112 4.350 0.001 0.000 0.196 325 E C 2.114 178.621 176.600 -0.156 0.000 1.000 325 E CA 1.815 58.142 56.400 -0.122 0.000 0.804 325 E CB -0.343 29.313 29.700 -0.074 0.000 0.740 325 E HN 0.597 nan 8.360 nan 0.000 0.454 326 I N 0.843 121.302 120.570 -0.185 0.000 2.226 326 I HA -0.232 3.938 4.170 0.001 0.000 0.245 326 I C 2.325 178.290 176.117 -0.253 0.000 1.100 326 I CA 0.771 61.959 61.300 -0.186 0.000 1.374 326 I CB -0.240 37.668 38.000 -0.153 0.000 1.057 326 I HN -0.007 nan 8.210 nan 0.000 0.413 327 V N 0.747 120.418 119.914 -0.404 0.000 2.515 327 V HA -0.186 3.934 4.120 0.001 0.000 0.250 327 V C 2.595 178.535 176.094 -0.258 0.000 1.058 327 V CA 1.521 63.588 62.300 -0.388 0.000 1.064 327 V CB -0.740 30.760 31.823 -0.538 0.000 0.675 327 V HN 0.359 nan 8.190 nan 0.000 0.461 328 R N 0.689 121.053 120.500 -0.227 0.000 2.090 328 R HA -0.011 4.330 4.340 0.001 0.000 0.228 328 R C 1.843 178.058 176.300 -0.141 0.000 1.110 328 R CA 1.031 57.028 56.100 -0.171 0.000 0.973 328 R CB -0.760 29.454 30.300 -0.144 0.000 0.869 328 R HN 0.533 nan 8.270 nan 0.000 0.440 329 N N 0.756 119.378 118.700 -0.131 0.000 2.422 329 N HA 0.035 4.776 4.740 0.001 0.000 0.181 329 N C 0.325 175.777 175.510 -0.097 0.000 1.080 329 N CA 0.260 53.249 53.050 -0.102 0.000 0.893 329 N CB 0.071 38.507 38.487 -0.084 0.000 0.973 329 N HN 0.079 nan 8.380 nan 0.000 0.456 330 A N 1.003 123.754 122.820 -0.114 0.000 2.531 330 A HA 0.348 4.668 4.320 0.001 0.000 0.236 330 A C 1.337 178.868 177.584 -0.088 0.000 1.062 330 A CA 0.705 52.683 52.037 -0.099 0.000 0.760 330 A CB 0.143 nan 19.000 nan 0.000 0.995 330 A HN 0.425 nan 8.150 nan 0.000 0.501 331 E N 1.630 121.789 120.200 -0.069 0.000 2.307 331 E HA 0.142 4.492 4.350 0.001 0.000 0.195 331 E C 0.515 177.080 176.600 -0.058 0.000 0.975 331 E CA 1.049 57.412 56.400 -0.061 0.000 0.878 331 E CB -0.295 29.376 29.700 -0.048 0.000 0.845 331 E HN 1.005 nan 8.360 nan 0.000 0.488 332 N N -4.069 114.597 118.700 -0.057 0.000 3.339 332 N HA 0.302 5.042 4.740 0.001 0.000 0.275 332 N C 1.278 176.758 175.510 -0.049 0.000 1.514 332 N CA 0.183 53.203 53.050 -0.051 0.000 0.879 332 N CB 0.618 39.083 38.487 -0.037 0.000 1.557 332 N HN 0.468 nan 8.380 nan 0.000 0.524 333 L N 0.207 121.406 121.223 -0.040 0.000 1.989 333 L HA -0.145 4.195 4.340 0.001 0.000 0.211 333 L C 2.126 178.981 176.870 -0.026 0.000 1.071 333 L CA 3.142 57.961 54.840 -0.035 0.000 0.749 333 L CB -2.077 39.969 42.059 -0.022 0.000 0.890 333 L HN 0.739 nan 8.230 nan 0.000 0.431 334 D N -1.131 119.257 120.400 -0.019 0.000 2.092 334 D HA -0.181 4.460 4.640 0.001 0.000 0.193 334 D C 2.138 178.429 176.300 -0.015 0.000 0.994 334 D CA 1.168 55.160 54.000 -0.012 0.000 0.828 334 D CB -0.190 40.603 40.800 -0.011 0.000 0.963 334 D HN 0.596 nan 8.370 nan 0.000 0.450 335 E N 0.193 120.379 120.200 -0.024 0.000 2.065 335 E HA -0.200 4.151 4.350 0.001 0.000 0.201 335 E C 2.086 178.669 176.600 -0.029 0.000 1.016 335 E CA 0.679 57.062 56.400 -0.028 0.000 0.818 335 E CB -0.430 29.247 29.700 -0.039 0.000 0.749 335 E HN 0.203 nan 8.360 nan 0.000 0.453 336 L N 1.536 122.737 121.223 -0.038 0.000 2.046 336 L HA -0.178 4.162 4.340 0.001 0.000 0.208 336 L C 2.252 179.121 176.870 -0.001 0.000 1.077 336 L CA 2.942 57.759 54.840 -0.038 0.000 0.747 336 L CB -1.165 40.855 42.059 -0.064 0.000 0.896 336 L HN 0.226 nan 8.230 nan 0.000 0.432 337 D N -1.578 118.825 120.400 0.005 0.000 2.178 337 D HA -0.141 4.500 4.640 0.001 0.000 0.201 337 D C 2.080 178.399 176.300 0.031 0.000 0.980 337 D CA 1.845 55.865 54.000 0.034 0.000 0.842 337 D CB -0.770 40.045 40.800 0.026 0.000 0.948 337 D HN 0.717 nan 8.370 nan 0.000 0.472 338 S N 0.002 115.709 115.700 0.012 0.000 2.326 338 S HA 0.033 4.503 4.470 0.001 0.000 0.211 338 S C 2.223 176.831 174.600 0.012 0.000 1.031 338 S CA 1.726 59.931 58.200 0.008 0.000 0.985 338 S CB -0.533 nan 63.200 nan 0.000 0.961 338 S HN 0.456 nan 8.310 nan 0.000 0.436 339 M N 0.653 120.255 119.600 0.004 0.000 2.153 339 M HA -0.121 4.360 4.480 0.001 0.000 0.253 339 M C 0.208 176.524 176.300 0.027 0.000 1.081 339 M CA 0.859 56.162 55.300 0.005 0.000 1.076 339 M CB -0.716 31.876 32.600 -0.013 0.000 1.350 339 M HN 0.289 nan 8.290 nan 0.000 0.401 340 L N 1.770 123.023 121.223 0.049 0.000 2.400 340 L HA 0.136 4.476 4.340 0.001 0.000 0.262 340 L C 0.321 177.225 176.870 0.056 0.000 1.309 340 L CA -0.335 54.558 54.840 0.088 0.000 1.186 340 L CB -1.086 41.063 42.059 0.151 0.000 1.375 340 L HN 0.222 nan 8.230 nan 0.000 0.433 341 E N 1.161 121.384 120.200 0.039 0.000 2.307 341 E HA 0.767 5.117 4.350 0.001 0.000 0.280 341 E C -0.641 175.970 176.600 0.019 0.000 0.900 341 E CA -0.468 55.944 56.400 0.019 0.000 0.790 341 E CB 1.475 31.182 29.700 0.011 0.000 1.261 341 E HN 0.462 nan 8.360 nan 0.000 0.405 342 R N 0.300 120.808 120.500 0.014 0.000 2.795 342 R HA 0.971 5.312 4.340 0.001 0.000 0.275 342 R C 0.337 176.641 176.300 0.006 0.000 0.981 342 R CA 0.140 56.248 56.100 0.014 0.000 0.917 342 R CB 0.224 30.537 30.300 0.022 0.000 1.202 342 R HN 1.558 nan 8.270 nan 0.000 0.469 350 S N 0.720 116.424 115.700 0.008 0.000 2.690 350 S HA 0.814 5.285 4.470 0.001 0.000 0.291 350 S C 0.265 174.867 174.600 0.004 0.000 1.138 350 S CA -0.561 57.642 58.200 0.004 0.000 1.013 350 S CB 0.939 nan 63.200 nan 0.000 1.053 350 S HN 0.646 nan 8.310 nan 0.000 0.539 351 V N 2.756 122.667 119.914 -0.006 0.000 2.655 351 V HA 0.490 4.610 4.120 0.001 0.000 0.300 351 V C 1.018 177.144 176.094 0.053 0.000 1.044 351 V CA 0.466 62.775 62.300 0.016 0.000 1.095 351 V CB 0.457 32.271 31.823 -0.015 0.000 0.952 351 V HN 1.087 nan 8.190 nan 0.000 0.485 352 T N 0.590 115.133 114.554 -0.018 0.000 2.742 352 T HA 0.205 4.556 4.350 0.001 0.000 0.282 352 T C 1.075 175.494 174.700 -0.469 0.000 1.025 352 T CA -0.026 61.895 62.100 -0.297 0.000 1.020 352 T CB 1.245 69.996 68.868 -0.195 0.000 1.317 352 T HN 0.814 nan 8.240 nan 0.000 0.538 353 C N -1.680 117.034 119.300 -0.977 0.000 2.511 353 C HA 0.296 4.757 4.460 0.001 0.000 0.277 353 C C 1.391 176.054 174.990 -0.544 0.000 1.451 353 C CA -0.632 57.906 59.018 -0.799 0.000 1.735 353 C CB -2.291 24.838 27.740 -1.019 0.000 1.704 353 C HN 0.758 nan 8.230 nan 0.000 0.571 354 W N 0.701 121.920 121.300 -0.135 0.000 3.132 354 W HA 0.296 4.956 4.660 0.001 0.000 0.364 354 W C 2.046 178.550 176.519 -0.025 0.000 1.129 354 W CA -0.230 57.086 57.345 -0.048 0.000 1.815 354 W CB -0.029 29.397 29.460 -0.057 0.000 1.099 354 W HN 0.086 nan 8.180 nan 0.000 0.605 355 S N 0.617 116.392 115.700 0.126 0.000 2.562 355 S HA -0.003 4.468 4.470 0.001 0.000 0.221 355 S C 0.613 175.258 174.600 0.075 0.000 0.975 355 S CA 0.428 58.685 58.200 0.095 0.000 0.918 355 S CB -0.156 63.083 63.200 0.065 0.000 0.772 355 S HN 0.239 nan 8.310 nan 0.000 0.531 356 Q N 0.133 119.981 119.800 0.080 0.000 2.522 356 Q HA 0.381 4.721 4.340 0.001 0.000 0.285 356 Q C -3.597 172.455 176.000 0.088 0.000 0.982 356 Q CA -2.248 53.586 55.803 0.052 0.000 0.805 356 Q CB 0.731 29.511 28.738 0.070 0.000 1.457 356 Q HN -0.091 nan 8.270 nan 0.000 0.394 357 P HA 0.336 nan 4.420 nan 0.000 0.275 357 P C -0.678 176.747 177.300 0.208 0.000 1.227 357 P CA -0.184 63.009 63.100 0.155 0.000 0.781 357 P CB 0.823 32.602 31.700 0.130 0.000 0.906 358 L N 3.161 124.551 121.223 0.278 0.000 2.385 358 L HA 0.460 4.801 4.340 0.001 0.000 0.273 358 L C -0.238 176.855 176.870 0.372 0.000 0.990 358 L CA -0.983 54.019 54.840 0.271 0.000 0.821 358 L CB 1.730 43.979 42.059 0.317 0.000 1.279 358 L HN 0.284 nan 8.230 nan 0.000 0.412 359 F N 3.903 123.885 119.950 0.053 0.000 2.404 359 F HA 0.604 5.131 4.527 0.001 0.000 0.354 359 F C -1.155 174.594 175.800 -0.085 0.000 1.122 359 F CA -1.098 56.971 58.000 0.116 0.000 1.080 359 F CB 0.634 39.736 39.000 0.170 0.000 1.131 359 F HN 0.083 nan 8.300 nan 0.000 0.471 360 F N 5.216 124.961 119.950 -0.343 0.000 2.469 360 F HA 0.555 5.082 4.527 0.001 0.000 0.332 360 F C -0.485 174.863 175.800 -0.754 0.000 1.103 360 F CA -1.171 56.519 58.000 -0.516 0.000 0.979 360 F CB 1.807 40.530 39.000 -0.462 0.000 1.137 360 F HN 0.085 nan 8.300 nan 0.000 0.463 361 V N 3.035 122.675 119.914 -0.456 0.000 2.333 361 V HA 0.172 4.293 4.120 0.001 0.000 0.274 361 V C 0.112 176.073 176.094 -0.221 0.000 1.028 361 V CA -0.934 61.158 62.300 -0.346 0.000 0.851 361 V CB 1.129 32.839 31.823 -0.189 0.000 1.000 361 V HN 0.789 nan 8.190 nan 0.000 0.456 362 N N 4.960 123.506 118.700 -0.258 0.000 2.549 362 N HA 0.155 4.895 4.740 0.001 0.000 0.267 362 N C 1.055 176.619 175.510 0.090 0.000 1.182 362 N CA -0.416 52.570 53.050 -0.106 0.000 1.019 362 N CB 0.433 38.850 38.487 -0.116 0.000 1.380 362 N HN 0.694 nan 8.380 nan 0.000 0.505 363 L N 1.749 123.084 121.223 0.186 0.000 2.265 363 L HA -0.155 4.186 4.340 0.001 0.000 0.215 363 L C 2.508 179.475 176.870 0.163 0.000 1.117 363 L CA 0.538 55.452 54.840 0.123 0.000 0.782 363 L CB -0.412 41.772 42.059 0.209 0.000 0.914 363 L HN 0.517 nan 8.230 nan 0.000 0.441 364 S N -0.076 115.800 115.700 0.293 0.000 2.400 364 S HA -0.234 4.236 4.470 0.001 0.000 0.232 364 S C 2.080 176.743 174.600 0.105 0.000 1.025 364 S CA 1.611 59.938 58.200 0.211 0.000 0.993 364 S CB -0.004 63.353 63.200 0.261 0.000 0.808 364 S HN 0.400 nan 8.310 nan 0.000 0.478 365 K N 0.357 120.820 120.400 0.105 0.000 2.044 365 K HA -0.024 4.296 4.320 0.001 0.000 0.204 365 K C 2.263 178.876 176.600 0.022 0.000 1.049 365 K CA 1.513 57.828 56.287 0.048 0.000 0.945 365 K CB -0.321 32.203 32.500 0.040 0.000 0.724 365 K HN 0.503 nan 8.250 nan 0.000 0.440 366 S N -0.567 115.130 115.700 -0.005 0.000 2.436 366 S HA -0.077 4.394 4.470 0.001 0.000 0.228 366 S C 1.773 176.364 174.600 -0.016 0.000 1.014 366 S CA 1.267 59.448 58.200 -0.031 0.000 0.950 366 S CB -0.003 63.120 63.200 -0.128 0.000 0.784 366 S HN 0.512 nan 8.310 nan 0.000 0.504 367 T N -4.253 110.299 114.554 -0.005 0.000 2.986 367 T HA 0.544 4.895 4.350 0.001 0.000 0.264 367 T C 1.481 176.203 174.700 0.036 0.000 0.964 367 T CA 0.662 62.778 62.100 0.027 0.000 0.895 367 T CB 0.211 69.105 68.868 0.043 0.000 1.163 367 T HN 1.161 nan 8.240 nan 0.000 0.517 368 G N 1.126 109.952 108.800 0.043 0.000 2.159 368 G HA2 -0.207 3.753 3.960 0.001 0.000 0.256 368 G HA3 -0.207 3.753 3.960 0.001 0.000 0.256 368 G C -0.028 174.906 174.900 0.056 0.000 0.977 368 G CA 0.027 45.148 45.100 0.035 0.000 0.652 368 G HN 0.795 nan 8.290 nan 0.000 0.531 369 V N 0.828 120.801 119.914 0.099 0.000 2.439 369 V HA 0.702 4.823 4.120 0.001 0.000 0.282 369 V C 0.988 177.227 176.094 0.242 0.000 1.039 369 V CA -0.077 62.309 62.300 0.144 0.000 0.913 369 V CB 1.669 33.572 31.823 0.133 0.000 0.983 369 V HN 1.055 nan 8.190 nan 0.000 0.460 370 A N 4.191 127.164 122.820 0.256 0.000 3.048 370 A HA 0.582 4.903 4.320 0.001 0.000 0.264 370 A C 0.476 178.405 177.584 0.576 0.000 1.796 370 A CA 0.050 52.310 52.037 0.373 0.000 1.445 370 A CB -0.630 18.504 19.000 0.223 0.000 1.074 370 A HN 0.755 nan 8.150 nan 0.000 0.621 371 S N -0.220 115.840 115.700 0.600 0.000 2.607 371 S HA 0.698 5.169 4.470 0.001 0.000 0.273 371 S C -0.886 174.138 174.600 0.708 0.000 1.148 371 S CA -0.535 58.003 58.200 0.564 0.000 0.833 371 S CB 1.261 64.748 63.200 0.479 0.000 1.130 371 S HN 0.429 nan 8.310 nan 0.000 0.470 372 F N 1.773 121.936 119.950 0.355 0.000 2.482 372 F HA 0.506 5.034 4.527 0.001 0.000 0.331 372 F C 0.018 175.939 175.800 0.201 0.000 1.115 372 F CA -0.954 57.218 58.000 0.287 0.000 0.955 372 F CB 1.634 40.858 39.000 0.373 0.000 1.136 372 F HN 0.272 nan 8.300 nan 0.000 0.452 373 M N 6.889 126.641 119.600 0.253 0.000 2.066 373 M HA 0.391 4.872 4.480 0.001 0.000 0.340 373 M C -1.392 174.868 176.300 -0.066 0.000 1.053 373 M CA -0.342 55.003 55.300 0.076 0.000 0.983 373 M CB 1.200 33.852 32.600 0.086 0.000 1.520 373 M HN 0.692 nan 8.290 nan 0.000 0.428 374 M N 4.906 124.426 119.600 -0.133 0.000 2.336 374 M HA 0.476 4.956 4.480 0.001 0.000 0.342 374 M C -1.994 174.180 176.300 -0.211 0.000 1.128 374 M CA -0.835 54.220 55.300 -0.409 0.000 1.016 374 M CB 1.369 33.562 32.600 -0.679 0.000 1.665 374 M HN 0.666 nan 8.290 nan 0.000 0.445 375 L N 5.898 127.051 121.223 -0.117 0.000 2.325 375 L HA 0.637 4.978 4.340 0.001 0.000 0.278 375 L C -0.257 176.674 176.870 0.101 0.000 1.023 375 L CA -0.119 54.779 54.840 0.096 0.000 0.811 375 L CB 1.855 44.105 42.059 0.318 0.000 1.249 375 L HN 0.796 nan 8.230 nan 0.000 0.431 376 M N 1.830 121.503 119.600 0.121 0.000 2.658 376 M HA 0.748 5.229 4.480 0.001 0.000 0.295 376 M C -1.126 175.261 176.300 0.144 0.000 1.248 376 M CA -0.834 54.552 55.300 0.144 0.000 0.843 376 M CB 2.365 35.059 32.600 0.157 0.000 1.749 376 M HN 0.514 nan 8.290 nan 0.000 0.464 377 Q N 1.705 121.592 119.800 0.144 0.000 2.445 377 Q HA 0.831 5.171 4.340 0.001 0.000 0.281 377 Q C -1.327 174.743 176.000 0.117 0.000 1.101 377 Q CA -0.794 55.087 55.803 0.130 0.000 0.833 377 Q CB 1.761 30.586 28.738 0.145 0.000 1.416 377 Q HN 0.931 nan 8.270 nan 0.000 0.451 378 A N 1.815 124.701 122.820 0.110 0.000 2.388 378 A HA 0.417 4.737 4.320 0.001 0.000 0.257 378 A C -1.642 176.001 177.584 0.100 0.000 1.095 378 A CA -1.060 51.040 52.037 0.105 0.000 0.791 378 A CB -0.040 19.029 19.000 0.114 0.000 1.029 378 A HN 0.736 nan 8.150 nan 0.000 0.489 379 P HA -0.047 nan 4.420 nan 0.000 0.241 379 P C 1.275 178.628 177.300 0.087 0.000 1.191 379 P CA 0.206 63.353 63.100 0.079 0.000 0.771 379 P CB 0.178 31.912 31.700 0.057 0.000 0.929 380 L N 0.919 122.196 121.223 0.089 0.000 2.042 380 L HA -0.117 4.223 4.340 0.001 0.000 0.210 380 L C 2.233 179.166 176.870 0.105 0.000 1.076 380 L CA 2.249 57.143 54.840 0.090 0.000 0.749 380 L CB -1.707 40.420 42.059 0.114 0.000 0.893 380 L HN -0.082 nan 8.230 nan 0.000 0.432 381 T N 0.158 114.777 114.554 0.107 0.000 2.665 381 T HA -0.226 4.124 4.350 0.001 0.000 0.268 381 T C 1.619 176.368 174.700 0.082 0.000 1.035 381 T CA 2.085 64.244 62.100 0.099 0.000 1.151 381 T CB -0.516 68.413 68.868 0.102 0.000 0.862 381 T HN 0.462 nan 8.240 nan 0.000 0.438 382 N N 0.338 119.091 118.700 0.089 0.000 2.120 382 N HA -0.118 4.623 4.740 0.001 0.000 0.188 382 N C 1.740 177.282 175.510 0.052 0.000 1.024 382 N CA 1.038 54.131 53.050 0.072 0.000 0.852 382 N CB -0.409 38.127 38.487 0.082 0.000 1.003 382 N HN 0.485 nan 8.380 nan 0.000 0.424 383 H N 0.561 119.620 119.070 -0.019 0.000 2.395 383 H HA 0.045 4.601 4.556 0.001 0.000 0.299 383 H C 1.545 176.816 175.328 -0.095 0.000 1.070 383 H CA 0.956 56.971 56.048 -0.055 0.000 1.356 383 H CB 0.115 29.835 29.762 -0.070 0.000 1.401 383 H HN 0.084 nan 8.280 nan 0.000 0.524 384 I N 1.422 121.998 120.570 0.009 0.000 2.353 384 I HA -0.167 4.004 4.170 0.001 0.000 0.248 384 I C 2.177 178.245 176.117 -0.082 0.000 1.119 384 I CA 0.940 62.209 61.300 -0.052 0.000 1.417 384 I CB -0.926 37.096 38.000 0.038 0.000 1.078 384 I HN 0.328 nan 8.210 nan 0.000 0.421 385 E N 0.704 120.871 120.200 -0.054 0.000 2.204 385 E HA -0.140 4.211 4.350 0.001 0.000 0.194 385 E C 2.050 178.591 176.600 -0.098 0.000 0.989 385 E CA 1.352 57.711 56.400 -0.068 0.000 0.824 385 E CB -0.067 29.611 29.700 -0.036 0.000 0.756 385 E HN 0.477 nan 8.360 nan 0.000 0.477 386 S N 1.016 116.639 115.700 -0.129 0.000 2.603 386 S HA -0.043 4.427 4.470 0.001 0.000 0.229 386 S C 1.636 176.129 174.600 -0.179 0.000 0.972 386 S CA 0.383 58.493 58.200 -0.150 0.000 0.935 386 S CB -0.497 62.600 63.200 -0.171 0.000 0.769 386 S HN 0.438 nan 8.310 nan 0.000 0.536 387 I N -1.871 118.585 120.570 -0.189 0.000 3.994 387 I HA 0.397 4.567 4.170 0.001 0.000 0.323 387 I C 1.436 177.496 176.117 -0.096 0.000 1.501 387 I CA -0.789 60.420 61.300 -0.152 0.000 1.112 387 I CB 0.216 38.100 38.000 -0.193 0.000 1.254 387 I HN 0.088 nan 8.210 nan 0.000 0.495 388 R N 0.580 121.023 120.500 -0.096 0.000 2.249 388 R HA -0.070 4.271 4.340 0.001 0.000 0.230 388 R C 1.102 177.358 176.300 -0.073 0.000 1.121 388 R CA 1.430 57.479 56.100 -0.085 0.000 0.997 388 R CB -0.406 29.831 30.300 -0.104 0.000 0.867 388 R HN 0.327 nan 8.270 nan 0.000 0.465 389 E N 0.915 121.077 120.200 -0.065 0.000 2.442 389 E HA -0.014 4.337 4.350 0.001 0.000 0.195 389 E C -0.419 176.162 176.600 -0.032 0.000 1.030 389 E CA 0.349 56.718 56.400 -0.052 0.000 0.869 389 E CB 0.163 29.834 29.700 -0.050 0.000 0.857 389 E HN 0.216 nan 8.360 nan 0.000 0.505 390 D N 0.300 120.686 120.400 -0.023 0.000 2.524 390 D HA 0.032 4.673 4.640 0.001 0.000 0.222 390 D C 0.564 176.882 176.300 0.030 0.000 1.142 390 D CA -0.077 53.925 54.000 0.003 0.000 0.973 390 D CB 0.280 41.084 40.800 0.006 0.000 1.025 390 D HN -0.177 nan 8.370 nan 0.000 0.519 391 K N 1.823 122.236 120.400 0.022 0.000 2.063 391 K HA -0.156 4.164 4.320 0.001 0.000 0.208 391 K C 1.476 178.146 176.600 0.117 0.000 1.048 391 K CA 1.062 57.374 56.287 0.042 0.000 0.928 391 K CB 0.107 32.605 32.500 -0.004 0.000 0.713 391 K HN 0.528 nan 8.250 nan 0.000 0.442 392 E N 0.343 120.605 120.200 0.104 0.000 2.110 392 E HA -0.164 4.186 4.350 0.001 0.000 0.193 392 E C 2.214 178.947 176.600 0.221 0.000 0.988 392 E CA 0.893 57.391 56.400 0.164 0.000 0.804 392 E CB -0.095 29.670 29.700 0.108 0.000 0.745 392 E HN 0.231 nan 8.360 nan 0.000 0.458 393 R N 0.875 121.471 120.500 0.159 0.000 2.092 393 R HA -0.095 4.246 4.340 0.001 0.000 0.231 393 R C 2.227 178.663 176.300 0.227 0.000 1.119 393 R CA 0.814 57.011 56.100 0.163 0.000 0.970 393 R CB -0.095 30.266 30.300 0.102 0.000 0.864 393 R HN 0.159 nan 8.270 nan 0.000 0.440 394 L N -0.117 121.250 121.223 0.240 0.000 2.046 394 L HA -0.170 4.171 4.340 0.001 0.000 0.208 394 L C 2.342 179.543 176.870 0.552 0.000 1.077 394 L CA 1.191 56.250 54.840 0.365 0.000 0.747 394 L CB -0.522 41.690 42.059 0.255 0.000 0.896 394 L HN 0.218 nan 8.230 nan 0.000 0.432 395 F N 0.565 120.696 119.950 0.300 0.000 2.171 395 F HA -0.208 4.319 4.527 0.001 0.000 0.300 395 F C 2.569 178.527 175.800 0.264 0.000 1.090 395 F CA 1.632 59.811 58.000 0.297 0.000 1.293 395 F CB -0.245 38.855 39.000 0.167 0.000 1.013 395 F HN -0.066 nan 8.300 nan 0.000 0.486 396 S N 0.248 116.009 115.700 0.102 0.000 2.368 396 S HA -0.192 4.278 4.470 0.001 0.000 0.224 396 S C 1.864 176.431 174.600 -0.055 0.000 1.029 396 S CA 1.303 59.473 58.200 -0.050 0.000 0.988 396 S CB -0.899 62.352 63.200 0.086 0.000 0.838 396 S HN 0.535 nan 8.310 nan 0.000 0.462 397 F N 1.170 121.071 119.950 -0.081 0.000 2.134 397 F HA -0.058 4.469 4.527 0.001 0.000 0.299 397 F C 1.410 176.981 175.800 -0.382 0.000 1.097 397 F CA 1.395 59.258 58.000 -0.229 0.000 1.264 397 F CB -0.159 38.672 39.000 -0.280 0.000 1.001 397 F HN 0.146 nan 8.300 nan 0.000 0.479 398 F N -0.204 119.816 119.950 0.118 0.000 2.754 398 F HA 0.077 4.604 4.527 0.001 0.000 0.297 398 F C 2.329 177.992 175.800 -0.228 0.000 1.122 398 F CA 0.448 58.450 58.000 0.003 0.000 1.400 398 F CB -0.748 38.431 39.000 0.299 0.000 1.117 398 F HN -0.003 nan 8.300 nan 0.000 0.587 399 Q N 1.841 121.494 119.800 -0.245 0.000 2.096 399 Q HA -0.211 4.129 4.340 0.001 0.000 0.208 399 Q C -0.692 175.191 176.000 -0.195 0.000 0.993 399 Q CA 2.315 57.884 55.803 -0.390 0.000 0.862 399 Q CB -1.073 27.286 28.738 -0.632 0.000 0.915 399 Q HN 0.188 nan 8.270 nan 0.000 0.416 400 P HA -0.121 nan 4.420 nan 0.000 0.217 400 P C 1.470 178.767 177.300 -0.006 0.000 1.151 400 P CA 1.866 64.960 63.100 -0.010 0.000 0.828 400 P CB -0.249 31.516 31.700 0.108 0.000 0.788 401 V N -3.050 116.696 119.914 -0.279 0.000 2.591 401 V HA -0.113 4.008 4.120 0.001 0.000 0.249 401 V C 2.630 178.560 176.094 -0.273 0.000 1.053 401 V CA 1.046 63.102 62.300 -0.407 0.000 1.068 401 V CB -1.836 29.644 31.823 -0.571 0.000 0.689 401 V HN -0.077 nan 8.190 nan 0.000 0.462 402 L N 0.535 121.622 121.223 -0.226 0.000 2.056 402 L HA -0.077 4.264 4.340 0.001 0.000 0.207 402 L C 2.783 179.563 176.870 -0.150 0.000 1.078 402 L CA 1.789 56.486 54.840 -0.238 0.000 0.749 402 L CB -0.819 41.130 42.059 -0.184 0.000 0.901 402 L HN 0.344 nan 8.230 nan 0.000 0.433 403 N N 0.272 118.926 118.700 -0.076 0.000 2.084 403 N HA -0.201 4.539 4.740 0.001 0.000 0.190 403 N C 1.811 177.315 175.510 -0.011 0.000 1.030 403 N CA 1.132 54.167 53.050 -0.026 0.000 0.849 403 N CB -0.234 38.259 38.487 0.009 0.000 1.012 403 N HN 0.082 nan 8.380 nan 0.000 0.423 404 K N 1.397 121.822 120.400 0.042 0.000 2.074 404 K HA 0.023 4.344 4.320 0.001 0.000 0.209 404 K C 1.943 178.549 176.600 0.009 0.000 1.048 404 K CA 0.892 57.233 56.287 0.089 0.000 0.926 404 K CB -0.471 32.206 32.500 0.294 0.000 0.713 404 K HN 0.200 nan 8.250 nan 0.000 0.444 405 I N -0.092 120.428 120.570 -0.084 0.000 2.202 405 I HA -0.275 3.895 4.170 0.001 0.000 0.242 405 I C 2.131 178.174 176.117 -0.122 0.000 1.091 405 I CA 0.990 62.194 61.300 -0.159 0.000 1.368 405 I CB -0.256 37.542 38.000 -0.337 0.000 1.058 405 I HN 0.185 nan 8.210 nan 0.000 0.410 406 M N 0.422 119.945 119.600 -0.127 0.000 2.149 406 M HA -0.235 4.246 4.480 0.001 0.000 0.261 406 M C 2.273 178.560 176.300 -0.021 0.000 1.064 406 M CA 1.667 56.910 55.300 -0.095 0.000 1.102 406 M CB -1.136 31.399 32.600 -0.108 0.000 1.369 406 M HN 0.207 nan 8.290 nan 0.000 0.408 407 K N -0.030 120.361 120.400 -0.014 0.000 2.002 407 K HA -0.162 4.159 4.320 0.001 0.000 0.209 407 K C 2.026 178.632 176.600 0.010 0.000 1.048 407 K CA 1.892 58.183 56.287 0.006 0.000 0.930 407 K CB -0.068 32.439 32.500 0.012 0.000 0.714 407 K HN 0.342 nan 8.250 nan 0.000 0.438 408 C N 0.910 120.211 119.300 0.002 0.000 2.419 408 C HA -0.016 4.445 4.460 0.001 0.000 0.283 408 C C 1.723 176.721 174.990 0.013 0.000 1.373 408 C CA 0.318 59.339 59.018 0.006 0.000 1.781 408 C CB -0.722 27.019 27.740 0.000 0.000 1.886 408 C HN 0.442 nan 8.230 nan 0.000 0.520 409 L N 0.986 122.220 121.223 0.019 0.000 2.912 409 L HA 0.153 4.494 4.340 0.001 0.000 0.240 409 L C -0.305 176.620 176.870 0.091 0.000 1.262 409 L CA 0.113 54.992 54.840 0.065 0.000 1.058 409 L CB -0.670 41.448 42.059 0.097 0.000 1.383 409 L HN 0.308 nan 8.230 nan 0.000 0.512 410 D N 0.306 120.739 120.400 0.056 0.000 2.697 410 D HA -0.187 4.453 4.640 0.001 0.000 0.235 410 D C 0.367 176.703 176.300 0.060 0.000 1.167 410 D CA 1.023 55.053 54.000 0.050 0.000 0.656 410 D CB -0.658 40.168 40.800 0.043 0.000 1.025 410 D HN 0.461 nan 8.370 nan 0.000 0.419 411 S N -1.079 114.656 115.700 0.059 0.000 3.132 411 S HA 0.662 5.132 4.470 0.001 0.000 0.322 411 S C -0.817 173.805 174.600 0.037 0.000 1.124 411 S CA -0.550 57.688 58.200 0.063 0.000 0.906 411 S CB 1.922 65.187 63.200 0.109 0.000 1.349 411 S HN 0.154 nan 8.310 nan 0.000 0.686 412 E N 0.261 120.481 120.200 0.034 0.000 2.450 412 E HA 0.375 4.726 4.350 0.001 0.000 0.272 412 E C -1.707 174.908 176.600 0.025 0.000 0.967 412 E CA -0.985 55.432 56.400 0.028 0.000 0.818 412 E CB 0.466 30.186 29.700 0.033 0.000 1.401 412 E HN 0.497 nan 8.360 nan 0.000 0.450 413 D N 0.994 121.415 120.400 0.035 0.000 2.506 413 D HA 0.030 4.671 4.640 0.001 0.000 0.234 413 D C -0.258 176.091 176.300 0.082 0.000 1.143 413 D CA 0.253 54.284 54.000 0.051 0.000 0.871 413 D CB 0.577 41.413 40.800 0.060 0.000 1.190 413 D HN 0.006 nan 8.370 nan 0.000 0.459 414 V N 2.990 122.976 119.914 0.121 0.000 2.811 414 V HA 0.103 4.224 4.120 0.001 0.000 0.302 414 V C 0.845 177.082 176.094 0.238 0.000 1.063 414 V CA -0.187 62.236 62.300 0.207 0.000 1.088 414 V CB 0.648 32.674 31.823 0.339 0.000 0.982 414 V HN 0.320 nan 8.190 nan 0.000 0.485 415 I N 3.038 123.713 120.570 0.174 0.000 2.354 415 I HA 0.265 4.435 4.170 0.001 0.000 0.292 415 I C 0.056 176.151 176.117 -0.036 0.000 0.989 415 I CA -0.490 60.865 61.300 0.092 0.000 1.188 415 I CB 1.526 39.562 38.000 0.059 0.000 1.342 415 I HN 0.548 nan 8.210 nan 0.000 0.457 416 D N 5.683 125.976 120.400 -0.178 0.000 2.342 416 D HA 0.118 4.759 4.640 0.001 0.000 0.260 416 D C 0.659 176.809 176.300 -0.251 0.000 1.278 416 D CA 0.215 53.934 54.000 -0.468 0.000 0.910 416 D CB 1.187 41.629 40.800 -0.597 0.000 1.079 416 D HN 0.783 nan 8.370 nan 0.000 0.496 417 G N 3.465 112.126 108.800 -0.231 0.000 3.899 417 G HA2 0.043 4.004 3.960 0.001 0.000 0.293 417 G HA3 0.043 4.004 3.960 0.001 0.000 0.293 417 G C 1.306 176.101 174.900 -0.175 0.000 1.054 417 G CA -0.238 44.770 45.100 -0.154 0.000 0.846 417 G HN 0.465 nan 8.290 nan 0.000 0.525 418 M N -0.165 119.307 119.600 -0.214 0.000 2.557 418 M HA 0.178 4.658 4.480 0.001 0.000 0.259 418 M C 1.384 177.621 176.300 -0.105 0.000 1.086 418 M CA 0.997 56.190 55.300 -0.179 0.000 1.096 418 M CB 0.110 32.595 32.600 -0.190 0.000 1.424 418 M HN 0.075 nan 8.290 nan 0.000 0.488 428 N N 0.268 118.973 118.700 0.008 0.000 2.328 428 N HA 0.526 5.267 4.740 0.001 0.000 0.247 428 N C 0.063 175.584 175.510 0.019 0.000 1.165 428 N CA 1.114 54.167 53.050 0.004 0.000 0.873 428 N CB 0.149 nan 38.487 nan 0.000 1.125 428 N HN 1.056 nan 8.380 nan 0.000 0.513 429 K N 1.849 122.267 120.400 0.030 0.000 2.159 429 K HA 0.686 5.006 4.320 0.001 0.000 0.266 429 K C -2.948 173.692 176.600 0.067 0.000 0.975 429 K CA -1.946 54.369 56.287 0.047 0.000 0.865 429 K CB 0.484 33.013 32.500 0.048 0.000 1.087 429 K HN 0.318 nan 8.250 nan 0.000 0.446 430 P HA 0.223 nan 4.420 nan 0.000 0.271 430 P C -0.777 176.645 177.300 0.203 0.000 1.233 430 P CA -0.176 62.986 63.100 0.104 0.000 0.764 430 P CB 0.730 32.389 31.700 -0.069 0.000 0.825 431 V N 5.544 125.618 119.914 0.267 0.000 2.370 431 V HA 0.151 4.271 4.120 0.001 0.000 0.283 431 V C 0.507 176.739 176.094 0.231 0.000 1.023 431 V CA -0.913 61.506 62.300 0.198 0.000 0.857 431 V CB 1.358 33.231 31.823 0.084 0.000 0.985 431 V HN 0.423 nan 8.190 nan 0.000 0.443 432 L N 6.688 127.943 121.223 0.054 0.000 2.315 432 L HA 0.435 4.775 4.340 0.001 0.000 0.283 432 L C 1.210 177.883 176.870 -0.330 0.000 1.089 432 L CA 0.645 55.313 54.840 -0.287 0.000 0.833 432 L CB 0.535 42.424 42.059 -0.283 0.000 1.170 432 L HN 0.476 nan 8.230 nan 0.000 0.442 433 R N 3.086 123.314 120.500 -0.452 0.000 2.175 433 R HA 0.270 4.610 4.340 0.001 0.000 0.202 433 R C 0.146 176.177 176.300 -0.448 0.000 1.018 433 R CA 0.355 56.114 56.100 -0.568 0.000 1.029 433 R CB -0.231 29.327 30.300 -1.236 0.000 0.959 433 R HN 0.819 nan 8.270 nan 0.000 0.480 434 N N -0.434 118.032 118.700 -0.390 0.000 2.710 434 N HA 0.323 5.063 4.740 0.001 0.000 0.257 434 N C -1.598 173.751 175.510 -0.269 0.000 1.327 434 N CA -0.450 52.451 53.050 -0.248 0.000 0.861 434 N CB 1.906 40.312 38.487 -0.136 0.000 1.532 434 N HN -0.186 nan 8.380 nan 0.000 0.499 435 I N 2.777 123.202 120.570 -0.241 0.000 2.533 435 I HA 0.462 4.632 4.170 0.001 0.000 0.290 435 I C -0.747 175.187 176.117 -0.305 0.000 1.056 435 I CA -0.641 60.454 61.300 -0.341 0.000 1.057 435 I CB 2.052 39.879 38.000 -0.290 0.000 1.240 435 I HN 0.388 nan 8.210 nan 0.000 0.423 436 I N 6.235 126.574 120.570 -0.384 0.000 2.509 436 I HA 0.592 4.762 4.170 0.001 0.000 0.293 436 I C -0.698 175.227 176.117 -0.320 0.000 1.020 436 I CA -0.939 60.182 61.300 -0.298 0.000 1.088 436 I CB 2.260 40.088 38.000 -0.286 0.000 1.267 436 I HN 0.155 nan 8.210 nan 0.000 0.430 437 V N 3.419 123.190 119.914 -0.238 0.000 2.914 437 V HA 0.416 4.536 4.120 0.001 0.000 0.314 437 V C 0.093 176.072 176.094 -0.192 0.000 1.084 437 V CA -0.651 61.520 62.300 -0.215 0.000 0.963 437 V CB 2.072 33.787 31.823 -0.180 0.000 1.025 437 V HN 0.791 nan 8.190 nan 0.000 0.432 438 S N 1.506 117.108 115.700 -0.164 0.000 2.617 438 S HA 0.245 4.716 4.470 0.001 0.000 0.259 438 S C 0.766 175.192 174.600 -0.290 0.000 1.301 438 S CA -0.338 57.722 58.200 -0.233 0.000 0.984 438 S CB 0.303 63.473 63.200 -0.051 0.000 0.954 438 S HN 0.909 nan 8.310 nan 0.000 0.572 439 N N -1.228 117.164 118.700 -0.513 0.000 2.217 439 N HA 0.095 4.835 4.740 0.001 0.000 0.239 439 N C 0.145 175.491 175.510 -0.273 0.000 1.330 439 N CA -0.092 52.747 53.050 -0.352 0.000 0.838 439 N CB 0.203 38.479 38.487 -0.352 0.000 1.287 439 N HN 0.668 nan 8.380 nan 0.000 0.498 440 W N 1.076 122.393 121.300 0.028 0.000 2.350 440 W HA -0.121 4.540 4.660 0.001 0.000 0.289 440 W C 2.492 179.049 176.519 0.063 0.000 1.215 440 W CA 1.515 58.893 57.345 0.056 0.000 1.236 440 W CB -0.334 29.169 29.460 0.071 0.000 1.130 440 W HN 0.158 nan 8.180 nan 0.000 0.541 441 T N -1.984 112.704 114.554 0.224 0.000 3.055 441 T HA 0.049 4.400 4.350 0.001 0.000 0.265 441 T C 1.576 176.326 174.700 0.083 0.000 1.111 441 T CA 0.662 62.858 62.100 0.158 0.000 1.118 441 T CB -0.119 68.819 68.868 0.116 0.000 0.909 441 T HN 0.199 nan 8.240 nan 0.000 0.501 442 R N 0.615 121.139 120.500 0.039 0.000 2.250 442 R HA 0.185 4.525 4.340 0.001 0.000 0.194 442 R C 0.379 176.660 176.300 -0.031 0.000 0.927 442 R CA -0.006 56.086 56.100 -0.012 0.000 1.052 442 R CB 0.064 30.337 30.300 -0.045 0.000 1.055 442 R HN 0.316 nan 8.270 nan 0.000 0.537 443 D N 3.113 123.507 120.400 -0.009 0.000 2.412 443 D HA -0.012 4.628 4.640 0.001 0.000 0.257 443 D C -1.411 174.865 176.300 -0.040 0.000 1.217 443 D CA -1.621 52.369 54.000 -0.017 0.000 0.897 443 D CB 1.374 42.214 40.800 0.066 0.000 1.132 443 D HN 0.023 nan 8.370 nan 0.000 0.493 444 P HA -0.160 nan 4.420 nan 0.000 0.225 444 P C 0.653 177.790 177.300 -0.271 0.000 1.148 444 P CA 1.014 63.941 63.100 -0.287 0.000 0.779 444 P CB -0.092 31.341 31.700 -0.445 0.000 0.780 445 Y N -1.114 119.230 120.300 0.072 0.000 2.461 445 Y HA 0.183 4.733 4.550 0.001 0.000 0.277 445 Y C 2.557 178.534 175.900 0.129 0.000 1.182 445 Y CA -0.048 58.102 58.100 0.085 0.000 1.276 445 Y CB 0.356 38.872 38.460 0.093 0.000 1.087 445 Y HN 0.046 nan 8.280 nan 0.000 0.519 446 S N -0.146 115.704 115.700 0.250 0.000 3.313 446 S HA 0.137 4.608 4.470 0.001 0.000 0.247 446 S C 0.618 175.347 174.600 0.216 0.000 1.058 446 S CA -0.131 58.250 58.200 0.303 0.000 0.794 446 S CB 0.204 63.724 63.200 0.533 0.000 0.842 446 S HN 0.327 nan 8.310 nan 0.000 0.526 447 R N 1.447 122.047 120.500 0.167 0.000 3.333 447 R HA -0.099 4.241 4.340 0.001 0.000 0.256 447 R C 0.361 176.803 176.300 0.236 0.000 1.010 447 R CA 0.451 56.608 56.100 0.094 0.000 0.680 447 R CB -2.225 28.033 30.300 -0.070 0.000 1.102 447 R HN 0.797 nan 8.270 nan 0.000 0.440 448 G N -2.544 106.498 108.800 0.403 0.000 2.343 448 G HA2 0.277 4.238 3.960 0.001 0.000 0.465 448 G HA3 0.277 4.238 3.960 0.001 0.000 0.465 448 G C 0.071 175.176 174.900 0.341 0.000 1.282 448 G CA -0.246 45.156 45.100 0.504 0.000 0.996 448 G HN 0.333 nan 8.290 nan 0.000 0.521 449 A N -1.035 121.712 122.820 -0.122 0.000 1.884 449 A HA 0.776 5.096 4.320 0.001 0.000 0.212 449 A C 0.617 177.899 177.584 -0.504 0.000 1.265 449 A CA 2.357 54.194 52.037 -0.334 0.000 0.626 449 A CB -0.172 18.553 19.000 -0.459 0.000 0.943 449 A HN 2.271 nan 8.150 nan 0.000 0.466 450 Y N -2.837 116.834 120.300 -1.049 0.000 2.741 450 Y HA 0.495 5.046 4.550 0.001 0.000 0.339 450 Y C -0.086 175.177 175.900 -1.062 0.000 1.226 450 Y CA -1.277 56.195 58.100 -1.045 0.000 1.072 450 Y CB 0.051 38.260 38.460 -0.418 0.000 1.331 450 Y HN 0.218 nan 8.280 nan 0.000 0.453 451 S N 1.025 116.577 115.700 -0.246 0.000 2.558 451 S HA 0.594 5.065 4.470 0.001 0.000 0.293 451 S C -0.062 174.561 174.600 0.039 0.000 1.292 451 S CA 0.303 58.512 58.200 0.015 0.000 1.063 451 S CB 0.280 63.578 63.200 0.164 0.000 0.831 451 S HN 1.624 nan 8.310 nan 0.000 0.499 452 A N 1.980 124.815 122.820 0.025 0.000 2.587 452 A HA 0.674 4.994 4.320 0.001 0.000 0.293 452 A C -0.766 176.856 177.584 0.064 0.000 1.087 452 A CA -0.883 51.205 52.037 0.085 0.000 0.692 452 A CB 1.196 20.231 19.000 0.059 0.000 1.291 452 A HN 0.968 nan 8.150 nan 0.000 0.407 453 C N 0.978 120.355 119.300 0.130 0.000 2.303 453 C HA 0.631 5.091 4.460 0.001 0.000 0.326 453 C C -0.079 175.059 174.990 0.247 0.000 1.285 453 C CA -0.384 58.704 59.018 0.117 0.000 1.675 453 C CB -1.012 26.781 27.740 0.088 0.000 2.289 453 C HN 0.628 nan 8.230 nan 0.000 0.512 454 F N 4.075 124.021 119.950 -0.006 0.000 2.399 454 F HA 0.349 4.876 4.527 0.001 0.000 0.328 454 F C -1.547 174.225 175.800 -0.047 0.000 1.084 454 F CA -2.522 55.418 58.000 -0.099 0.000 1.053 454 F CB 1.360 40.161 39.000 -0.332 0.000 1.209 454 F HN 0.318 nan 8.300 nan 0.000 0.502 455 P HA 0.002 nan 4.420 nan 0.000 0.261 455 P C 0.469 177.819 177.300 0.084 0.000 1.183 455 P CA 1.044 64.189 63.100 0.075 0.000 0.761 455 P CB 0.578 32.306 31.700 0.047 0.000 0.785 456 G N 2.314 111.149 108.800 0.058 0.000 2.213 456 G HA2 -0.165 3.795 3.960 0.001 0.000 0.226 456 G HA3 -0.165 3.795 3.960 0.001 0.000 0.226 456 G C 0.017 174.960 174.900 0.072 0.000 0.992 456 G CA -0.293 44.844 45.100 0.062 0.000 0.632 456 G HN 0.497 nan 8.290 nan 0.000 0.511 457 D N 1.442 121.897 120.400 0.093 0.000 2.368 457 D HA 0.481 5.122 4.640 0.001 0.000 0.240 457 D C 0.406 176.730 176.300 0.039 0.000 1.169 457 D CA 1.207 55.263 54.000 0.094 0.000 0.906 457 D CB 0.843 41.719 40.800 0.127 0.000 1.187 457 D HN 0.746 nan 8.370 nan 0.000 0.435 458 D N 0.989 121.404 120.400 0.025 0.000 2.363 458 D HA 0.223 4.863 4.640 0.001 0.000 0.258 458 D C -1.857 174.435 176.300 -0.014 0.000 1.259 458 D CA -1.033 52.966 54.000 -0.000 0.000 0.921 458 D CB 1.412 nan 40.800 nan 0.000 1.201 458 D HN 0.067 nan 8.370 nan 0.000 0.524 459 P HA -0.143 nan 4.420 nan 0.000 0.219 459 P C 1.815 179.091 177.300 -0.041 0.000 1.146 459 P CA 0.656 63.742 63.100 -0.023 0.000 0.808 459 P CB 0.302 31.993 31.700 -0.014 0.000 0.779 460 V N 1.055 120.945 119.914 -0.039 0.000 2.453 460 V HA -0.238 3.882 4.120 0.001 0.000 0.252 460 V C 2.208 178.268 176.094 -0.055 0.000 1.068 460 V CA 2.270 64.544 62.300 -0.044 0.000 1.070 460 V CB -1.449 30.354 31.823 -0.033 0.000 0.664 460 V HN 0.073 nan 8.190 nan 0.000 0.461 461 D N -0.431 119.933 120.400 -0.059 0.000 2.087 461 D HA -0.221 4.419 4.640 0.001 0.000 0.192 461 D C 2.017 178.246 176.300 -0.118 0.000 0.993 461 D CA 1.725 55.678 54.000 -0.079 0.000 0.828 461 D CB -0.344 40.411 40.800 -0.076 0.000 0.968 461 D HN 0.377 nan 8.370 nan 0.000 0.448 462 M N 0.328 119.847 119.600 -0.136 0.000 2.117 462 M HA -0.114 4.367 4.480 0.001 0.000 0.262 462 M C 1.913 178.120 176.300 -0.155 0.000 1.065 462 M CA 1.134 56.321 55.300 -0.188 0.000 1.114 462 M CB -0.396 32.105 32.600 -0.165 0.000 1.361 462 M HN -0.107 nan 8.290 nan 0.000 0.408 463 V N -0.782 119.068 119.914 -0.107 0.000 2.287 463 V HA -0.284 3.836 4.120 0.001 0.000 0.248 463 V C 2.381 178.421 176.094 -0.090 0.000 1.053 463 V CA 1.925 64.166 62.300 -0.098 0.000 1.027 463 V CB -0.998 30.781 31.823 -0.073 0.000 0.646 463 V HN 0.408 nan 8.190 nan 0.000 0.447 464 V N 0.245 120.111 119.914 -0.079 0.000 2.295 464 V HA -0.267 3.854 4.120 0.001 0.000 0.246 464 V C 2.700 178.752 176.094 -0.070 0.000 1.049 464 V CA 2.110 64.372 62.300 -0.063 0.000 1.024 464 V CB -1.223 30.568 31.823 -0.054 0.000 0.648 464 V HN 0.567 nan 8.190 nan 0.000 0.447 465 A N -0.608 122.149 122.820 -0.105 0.000 1.902 465 A HA -0.196 4.124 4.320 0.001 0.000 0.217 465 A C 2.253 179.770 177.584 -0.111 0.000 1.181 465 A CA 2.001 53.965 52.037 -0.121 0.000 0.623 465 A CB -0.429 18.456 19.000 -0.192 0.000 0.818 465 A HN 0.409 nan 8.150 nan 0.000 0.443 466 M N 0.635 120.145 119.600 -0.149 0.000 2.077 466 M HA -0.114 4.366 4.480 0.001 0.000 0.261 466 M C 2.463 178.791 176.300 0.047 0.000 1.070 466 M CA 2.036 57.272 55.300 -0.107 0.000 1.125 466 M CB -1.512 30.969 32.600 -0.198 0.000 1.339 466 M HN 0.622 nan 8.290 nan 0.000 0.409 467 S N 0.270 115.961 115.700 -0.015 0.000 2.469 467 S HA -0.087 4.383 4.470 0.001 0.000 0.238 467 S C 1.494 176.104 174.600 0.017 0.000 0.998 467 S CA 1.099 59.299 58.200 -0.000 0.000 0.957 467 S CB -0.532 62.651 63.200 -0.027 0.000 0.764 467 S HN 0.408 nan 8.310 nan 0.000 0.514 468 N N 1.699 120.411 118.700 0.020 0.000 2.376 468 N HA 0.274 5.014 4.740 0.001 0.000 0.177 468 N C 1.087 176.629 175.510 0.053 0.000 1.024 468 N CA 1.034 54.097 53.050 0.022 0.000 0.893 468 N CB -0.203 38.287 38.487 0.004 0.000 0.980 468 N HN 0.671 nan 8.380 nan 0.000 0.439 469 G N 0.638 109.514 108.800 0.126 0.000 2.712 469 G HA2 -0.246 3.714 3.960 0.001 0.000 0.683 469 G HA3 -0.246 3.714 3.960 0.001 0.000 0.683 469 G C 0.249 175.264 174.900 0.190 0.000 1.320 469 G CA 0.192 45.406 45.100 0.190 0.000 0.847 469 G HN 0.251 nan 8.290 nan 0.000 0.553 470 Q N 0.064 119.981 119.800 0.196 0.000 2.137 470 Q HA 0.265 4.605 4.340 0.001 0.000 0.198 470 Q C 0.993 177.022 176.000 0.048 0.000 0.960 470 Q CA 2.753 58.635 55.803 0.132 0.000 0.847 470 Q CB 0.097 28.891 28.738 0.092 0.000 0.915 470 Q HN 1.218 nan 8.270 nan 0.000 0.448 471 D N -3.592 116.822 120.400 0.024 0.000 2.879 471 D HA 0.012 4.653 4.640 0.001 0.000 0.346 471 D C 0.262 176.572 176.300 0.017 0.000 1.390 471 D CA 0.228 54.237 54.000 0.016 0.000 0.838 471 D CB -0.406 40.399 40.800 0.009 0.000 1.416 471 D HN -0.045 nan 8.370 nan 0.000 0.493 472 S N -0.932 114.783 115.700 0.024 0.000 2.419 472 S HA -0.183 4.287 4.470 0.001 0.000 0.235 472 S C 1.348 176.021 174.600 0.123 0.000 1.019 472 S CA 0.800 59.038 58.200 0.063 0.000 0.982 472 S CB -0.355 62.880 63.200 0.058 0.000 0.789 472 S HN 0.467 nan 8.310 nan 0.000 0.490 473 R N 0.578 121.095 120.500 0.029 0.000 2.237 473 R HA 0.441 4.781 4.340 0.001 0.000 0.195 473 R C 0.336 176.646 176.300 0.016 0.000 0.956 473 R CA 0.169 56.270 56.100 0.002 0.000 1.029 473 R CB -0.336 29.847 30.300 -0.195 0.000 0.972 473 R HN 0.471 nan 8.270 nan 0.000 0.493 474 I N 3.465 124.009 120.570 -0.043 0.000 2.307 474 I HA 0.207 4.377 4.170 0.001 0.000 0.287 474 I C 0.007 175.928 176.117 -0.326 0.000 1.054 474 I CA -0.463 60.751 61.300 -0.143 0.000 1.218 474 I CB 0.549 38.508 38.000 -0.069 0.000 1.398 474 I HN -0.275 nan 8.210 nan 0.000 0.475 475 R N 5.247 125.524 120.500 -0.372 0.000 2.782 475 R HA 0.699 5.039 4.340 0.001 0.000 0.258 475 R C -0.998 174.863 176.300 -0.732 0.000 1.055 475 R CA -0.862 54.989 56.100 -0.415 0.000 1.065 475 R CB 1.294 31.491 30.300 -0.171 0.000 1.172 475 R HN 0.235 nan 8.270 nan 0.000 0.510 476 F N -0.926 119.017 119.950 -0.012 0.000 2.588 476 F HA 0.738 5.265 4.527 0.001 0.000 0.314 476 F C 0.005 175.767 175.800 -0.063 0.000 1.069 476 F CA -0.826 57.164 58.000 -0.016 0.000 0.931 476 F CB 2.347 41.330 39.000 -0.029 0.000 1.260 476 F HN 0.606 nan 8.300 nan 0.000 0.465 477 A N 0.934 123.838 122.820 0.140 0.000 2.594 477 A HA 0.976 5.296 4.320 0.001 0.000 0.291 477 A C -0.518 177.071 177.584 0.009 0.000 1.105 477 A CA -0.287 51.762 52.037 0.019 0.000 0.694 477 A CB 1.726 20.729 19.000 0.006 0.000 1.291 477 A HN 1.697 nan 8.150 nan 0.000 0.410 478 G N -0.339 108.441 108.800 -0.033 0.000 2.339 478 G HA2 0.457 4.417 3.960 0.001 0.000 0.381 478 G HA3 0.457 4.417 3.960 0.001 0.000 0.381 478 G C -0.050 174.846 174.900 -0.007 0.000 1.400 478 G CA 0.529 45.662 45.100 0.055 0.000 1.002 478 G HN 1.695 nan 8.290 nan 0.000 0.633 479 E N -0.573 119.708 120.200 0.135 0.000 2.333 479 E HA -0.162 4.188 4.350 0.001 0.000 0.198 479 E C 1.530 178.176 176.600 0.077 0.000 1.007 479 E CA 2.190 58.628 56.400 0.063 0.000 0.845 479 E CB -0.275 29.452 29.700 0.045 0.000 0.766 479 E HN 0.809 nan 8.360 nan 0.000 0.507 480 H N -0.166 118.923 119.070 0.033 0.000 2.529 480 H HA 0.209 4.765 4.556 0.001 0.000 0.277 480 H C 0.631 175.949 175.328 -0.018 0.000 1.004 480 H CA 0.948 57.011 56.048 0.024 0.000 1.167 480 H CB -0.201 29.606 29.762 0.075 0.000 1.445 480 H HN 0.277 nan 8.280 nan 0.000 0.554 481 T N -1.656 112.655 114.554 -0.404 0.000 3.215 481 T HA 0.425 4.775 4.350 0.001 0.000 0.271 481 T C 0.216 174.827 174.700 -0.150 0.000 1.012 481 T CA -0.409 61.508 62.100 -0.305 0.000 0.899 481 T CB -0.406 68.263 68.868 -0.330 0.000 1.089 481 T HN 0.298 nan 8.240 nan 0.000 0.552 482 I N -0.173 120.328 120.570 -0.115 0.000 2.918 482 I HA 0.474 4.644 4.170 0.001 0.000 0.301 482 I C 0.242 176.312 176.117 -0.077 0.000 1.312 482 I CA -1.109 60.144 61.300 -0.079 0.000 1.007 482 I CB 2.154 40.115 38.000 -0.066 0.000 1.281 482 I HN -0.041 nan 8.210 nan 0.000 0.440 483 M N 2.548 122.112 119.600 -0.060 0.000 2.155 483 M HA 0.144 4.624 4.480 0.001 0.000 0.258 483 M C -0.051 176.205 176.300 -0.073 0.000 1.092 483 M CA 1.351 56.614 55.300 -0.062 0.000 1.153 483 M CB -0.217 32.358 32.600 -0.041 0.000 1.316 483 M HN 0.437 nan 8.290 nan 0.000 0.431 484 D N 0.664 121.043 120.400 -0.035 0.000 2.412 484 D HA 0.383 5.023 4.640 0.001 0.000 0.257 484 D C 0.889 177.125 176.300 -0.107 0.000 1.217 484 D CA 1.386 55.384 54.000 -0.003 0.000 0.897 484 D CB -0.069 40.784 40.800 0.088 0.000 1.132 484 D HN 0.647 nan 8.370 nan 0.000 0.493 485 G N 2.018 110.698 108.800 -0.199 0.000 2.160 485 G HA2 -0.165 3.796 3.960 0.001 0.000 0.244 485 G HA3 -0.165 3.796 3.960 0.001 0.000 0.244 485 G C 0.520 175.156 174.900 -0.439 0.000 1.022 485 G CA -0.012 44.710 45.100 -0.630 0.000 0.741 485 G HN 0.834 nan 8.290 nan 0.000 0.508 486 A N -0.604 122.057 122.820 -0.266 0.000 2.540 486 A HA 0.619 4.939 4.320 0.001 0.000 0.239 486 A C 2.148 179.605 177.584 -0.212 0.000 1.061 486 A CA 1.956 53.877 52.037 -0.193 0.000 0.758 486 A CB -0.045 18.869 19.000 -0.143 0.000 0.991 486 A HN 2.420 nan 8.150 nan 0.000 0.502 487 G N 0.652 109.356 108.800 -0.161 0.000 2.245 487 G HA2 -0.304 3.657 3.960 0.001 0.000 0.264 487 G HA3 -0.304 3.657 3.960 0.001 0.000 0.264 487 G C 0.499 175.177 174.900 -0.371 0.000 0.985 487 G CA 0.545 45.508 45.100 -0.229 0.000 0.625 487 G HN 1.163 nan 8.290 nan 0.000 0.536 488 C N 0.231 119.352 119.300 -0.299 0.000 2.335 488 C HA 0.776 5.237 4.460 0.001 0.000 0.363 488 C C 2.342 177.229 174.990 -0.172 0.000 1.198 488 C CA 0.233 59.115 59.018 -0.226 0.000 2.279 488 C CB 1.095 28.714 27.740 -0.203 0.000 2.334 488 C HN 0.864 nan 8.230 nan 0.000 0.559 489 A N 0.738 123.527 122.820 -0.051 0.000 1.933 489 A HA -0.169 4.151 4.320 0.001 0.000 0.218 489 A C 1.746 179.416 177.584 0.143 0.000 1.175 489 A CA 2.062 54.098 52.037 -0.003 0.000 0.628 489 A CB -0.828 18.144 19.000 -0.046 0.000 0.814 489 A HN 1.066 nan 8.150 nan 0.000 0.444 490 Y N -1.286 119.085 120.300 0.118 0.000 2.516 490 Y HA 0.285 4.836 4.550 0.001 0.000 0.291 490 Y C 2.011 178.049 175.900 0.231 0.000 1.131 490 Y CA 0.416 58.603 58.100 0.145 0.000 1.281 490 Y CB -0.930 37.567 38.460 0.061 0.000 1.013 490 Y HN 0.067 nan 8.280 nan 0.000 0.554 491 G N 0.729 109.330 108.800 -0.332 0.000 2.394 491 G HA2 -0.111 3.850 3.960 0.001 0.000 0.215 491 G HA3 -0.111 3.850 3.960 0.001 0.000 0.215 491 G C 1.787 176.687 174.900 0.000 0.000 1.165 491 G CA 0.771 45.732 45.100 -0.231 0.000 0.784 491 G HN 0.589 nan 8.290 nan 0.000 0.535 492 A N 0.161 122.998 122.820 0.030 0.000 1.902 492 A HA -0.043 4.278 4.320 0.001 0.000 0.217 492 A C 2.124 179.807 177.584 0.167 0.000 1.181 492 A CA 1.566 53.649 52.037 0.077 0.000 0.623 492 A CB -0.800 18.243 19.000 0.072 0.000 0.818 492 A HN 0.557 nan 8.150 nan 0.000 0.443 493 W N 0.959 122.284 121.300 0.042 0.000 2.333 493 W HA -0.252 4.409 4.660 0.001 0.000 0.316 493 W C 2.080 178.641 176.519 0.071 0.000 1.215 493 W CA 2.380 59.775 57.345 0.082 0.000 1.278 493 W CB -0.125 29.421 29.460 0.143 0.000 1.154 493 W HN 0.397 nan 8.180 nan 0.000 0.486 494 E N 0.553 121.007 120.200 0.424 0.000 2.077 494 E HA -0.225 4.126 4.350 0.001 0.000 0.193 494 E C 2.303 178.902 176.600 -0.002 0.000 0.989 494 E CA 2.432 58.939 56.400 0.179 0.000 0.800 494 E CB -0.743 29.154 29.700 0.328 0.000 0.746 494 E HN 0.293 nan 8.360 nan 0.000 0.452 495 S N -0.889 114.822 115.700 0.017 0.000 2.399 495 S HA -0.085 4.386 4.470 0.001 0.000 0.231 495 S C 2.214 176.774 174.600 -0.065 0.000 1.022 495 S CA 1.101 59.283 58.200 -0.029 0.000 0.983 495 S CB -0.963 62.215 63.200 -0.036 0.000 0.803 495 S HN 0.360 nan 8.310 nan 0.000 0.480 496 G N 1.947 110.695 108.800 -0.086 0.000 2.404 496 G HA2 -0.168 3.792 3.960 0.001 0.000 0.215 496 G HA3 -0.168 3.792 3.960 0.001 0.000 0.215 496 G C 1.544 176.332 174.900 -0.186 0.000 1.174 496 G CA 0.616 45.641 45.100 -0.125 0.000 0.780 496 G HN 0.582 nan 8.290 nan 0.000 0.537 497 R N 0.411 120.740 120.500 -0.286 0.000 2.096 497 R HA -0.010 4.330 4.340 0.001 0.000 0.235 497 R C 2.515 178.711 176.300 -0.174 0.000 1.127 497 R CA 1.391 57.315 56.100 -0.294 0.000 0.968 497 R CB -0.325 29.705 30.300 -0.450 0.000 0.861 497 R HN 0.349 nan 8.270 nan 0.000 0.440 498 R N 0.387 120.809 120.500 -0.130 0.000 2.080 498 R HA -0.150 4.191 4.340 0.001 0.000 0.236 498 R C 1.693 177.935 176.300 -0.096 0.000 1.137 498 R CA 1.889 57.937 56.100 -0.088 0.000 0.943 498 R CB -0.122 30.143 30.300 -0.058 0.000 0.846 498 R HN 0.246 nan 8.270 nan 0.000 0.431 499 E N 0.314 120.454 120.200 -0.101 0.000 2.106 499 E HA -0.144 4.206 4.350 0.001 0.000 0.192 499 E C 1.872 178.386 176.600 -0.145 0.000 0.984 499 E CA 1.227 57.559 56.400 -0.114 0.000 0.806 499 E CB -0.269 29.370 29.700 -0.103 0.000 0.750 499 E HN 0.490 nan 8.360 nan 0.000 0.458 500 A N 0.921 123.658 122.820 -0.140 0.000 1.873 500 A HA -0.147 4.174 4.320 0.001 0.000 0.215 500 A C 2.469 179.971 177.584 -0.136 0.000 1.186 500 A CA 2.046 53.998 52.037 -0.141 0.000 0.616 500 A CB -0.927 17.999 19.000 -0.123 0.000 0.823 500 A HN 0.241 nan 8.150 nan 0.000 0.442 501 T N -0.534 113.949 114.554 -0.119 0.000 2.684 501 T HA -0.188 4.163 4.350 0.001 0.000 0.267 501 T C 2.059 176.693 174.700 -0.111 0.000 1.036 501 T CA 1.626 63.666 62.100 -0.099 0.000 1.148 501 T CB -0.287 68.533 68.868 -0.081 0.000 0.863 501 T HN 0.603 nan 8.240 nan 0.000 0.436 502 R N 0.707 121.132 120.500 -0.124 0.000 2.083 502 R HA -0.069 4.271 4.340 0.001 0.000 0.237 502 R C 2.392 178.566 176.300 -0.210 0.000 1.137 502 R CA 1.562 57.580 56.100 -0.137 0.000 0.951 502 R CB -0.494 29.728 30.300 -0.129 0.000 0.851 502 R HN 0.394 nan 8.270 nan 0.000 0.434 503 I N 0.547 120.942 120.570 -0.292 0.000 2.226 503 I HA -0.237 3.933 4.170 0.001 0.000 0.245 503 I C 2.239 178.175 176.117 -0.301 0.000 1.100 503 I CA 1.258 62.278 61.300 -0.466 0.000 1.374 503 I CB -0.162 37.523 38.000 -0.525 0.000 1.057 503 I HN 0.217 nan 8.210 nan 0.000 0.413 504 S N 0.488 116.077 115.700 -0.185 0.000 2.368 504 S HA -0.193 4.277 4.470 0.001 0.000 0.225 504 S C 1.571 176.115 174.600 -0.094 0.000 1.030 504 S CA 1.418 59.552 58.200 -0.111 0.000 0.999 504 S CB -0.341 62.815 63.200 -0.072 0.000 0.844 504 S HN 0.435 nan 8.310 nan 0.000 0.459 505 D N 1.567 121.910 120.400 -0.096 0.000 2.104 505 D HA -0.061 4.579 4.640 0.001 0.000 0.194 505 D C 1.891 178.146 176.300 -0.075 0.000 0.994 505 D CA 0.856 54.817 54.000 -0.065 0.000 0.830 505 D CB -0.430 40.336 40.800 -0.057 0.000 0.959 505 D HN 0.299 nan 8.370 nan 0.000 0.452 506 L N 0.134 121.291 121.223 -0.111 0.000 2.093 506 L HA -0.090 4.251 4.340 0.001 0.000 0.208 506 L C 2.379 179.195 176.870 -0.090 0.000 1.085 506 L CA 0.609 55.395 54.840 -0.089 0.000 0.755 506 L CB -0.213 41.783 42.059 -0.104 0.000 0.904 506 L HN 0.021 nan 8.230 nan 0.000 0.435 507 L N -0.649 120.509 121.223 -0.109 0.000 2.465 507 L HA -0.133 4.207 4.340 0.001 0.000 0.224 507 L C 2.405 179.176 176.870 -0.165 0.000 1.145 507 L CA 0.339 55.114 54.840 -0.107 0.000 0.834 507 L CB -0.353 41.661 42.059 -0.074 0.000 0.944 507 L HN 0.162 nan 8.230 nan 0.000 0.451 508 K N 0.636 120.956 120.400 -0.134 0.000 2.057 508 K HA -0.122 4.198 4.320 0.001 0.000 0.207 508 K C 1.967 178.325 176.600 -0.404 0.000 1.049 508 K CA 1.178 57.387 56.287 -0.131 0.000 0.931 508 K CB -0.270 32.203 32.500 -0.047 0.000 0.714 508 K HN 0.040 nan 8.250 nan 0.000 0.440 509 L N 0.704 121.662 121.223 -0.442 0.000 2.349 509 L HA -0.128 4.213 4.340 0.001 0.000 0.220 509 L C 2.769 179.304 176.870 -0.558 0.000 1.130 509 L CA 2.114 56.556 54.840 -0.664 0.000 0.791 509 L CB -2.089 39.828 42.059 -0.237 0.000 0.918 509 L HN 0.701 nan 8.230 nan 0.000 0.444 510 E N -2.131 117.785 120.200 -0.473 0.000 2.268 510 E HA -0.211 4.140 4.350 0.001 0.000 0.195 510 E C 1.763 178.056 176.600 -0.512 0.000 0.995 510 E CA 1.266 57.386 56.400 -0.467 0.000 0.836 510 E CB -0.595 nan 29.700 nan 0.000 0.763 510 E HN 0.851 nan 8.360 nan 0.000 0.491 511 H N -0.547 118.387 119.070 -0.227 0.000 2.520 511 H HA 0.179 4.735 4.556 0.001 0.000 0.284 511 H C -0.263 174.996 175.328 -0.115 0.000 1.037 511 H CA -0.293 55.670 56.048 -0.142 0.000 1.168 511 H CB 0.017 29.720 29.762 -0.099 0.000 1.497 511 H HN 0.410 nan 8.280 nan 0.000 0.547 512 H N 0.648 119.667 119.070 -0.084 0.000 2.551 512 H HA 0.146 4.702 4.556 0.001 0.000 0.358 512 H C 0.934 176.180 175.328 -0.137 0.000 1.151 512 H CA -0.053 55.911 56.048 -0.139 0.000 1.374 512 H CB 0.680 30.409 29.762 -0.055 0.000 1.473 512 H HN 0.243 nan 8.280 nan 0.000 0.574 513 H N 0.000 119.162 119.070 0.153 0.000 2.539 513 H HA 0.000 4.556 4.556 0.001 0.000 0.296 513 H CA 0.000 56.099 56.048 0.086 0.000 1.023 513 H CB 0.000 29.794 29.762 0.054 0.000 1.292 513 H HN 0.000 nan 8.280 nan 0.000 0.496