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 2w04_1_A DATA FIRST_RESID 6 DATA SEQUENCE HDVLSRMISE KAALHGLLNC LIKEFAIPEG YLRYEWPDEM KGIPPGAYFD DATA SEQUENCE GADWKGIPMM IGLPDQLQLF VMVDRRDTFG SQHYLSDVYL RQAXGDWQCP DATA SEQUENCE DFEPLVARLL AACEHIAGRK NPELYEQILQ SQRLVSAIVS HNGRQRADAP DATA SEQUENCE LQHYLQSEQG LWFGHPSHPA PKARLWPAHL GQEQWAPEFQ ARAALHQFEV DATA SEQUENCE PVDGLHIGAN GLTPQQVLDG FADQQPASPG HAIICMHPVQ AQLFMQDARV DATA SEQUENCE QQLLRDNVIR DLGQSGRVAS PTASIRTWFI DDHDYFIKGS LNVRITNCVR DATA SEQUENCE KNAWYELEST VLIDRLFRQL LDQHADTLGG LVAAAEPGVV SWSPAAAGEL DATA SEQUENCE DSHWFREQTG GILRENFCRR TGAERSIMAG TLFARGVDLQ PMIQTFLRTH DATA SEQUENCE YGEALDDNAL LYWFDDYQTR LLRPVLSLFF NHGVVMEPHL QNSVLVHQQG DATA SEQUENCE RPQQVLLRDF EGVKLTDDLG IRYIDDDIHP RVRQSLLYSR EQGWNRIMYC DATA SEQUENCE LFINHLSETI LALSQGRPQL APLMWRRVQQ QLRAIQGELK QPSPELDALI DATA SEQUENCE AGHPVACKTN LKVRLAXXXX XXASYVRLPS PW 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 6 H HA 0.000 nan 4.556 nan 0.000 0.296 6 H C 0.000 175.308 175.328 -0.033 0.000 0.993 6 H CA 0.000 56.029 56.048 -0.032 0.000 1.023 6 H CB 0.000 29.739 29.762 -0.039 0.000 1.292 7 D N 0.412 120.717 120.400 -0.158 0.000 2.120 7 D HA -0.029 4.614 4.640 0.005 0.000 0.202 7 D C 2.135 178.334 176.300 -0.169 0.000 0.972 7 D CA 1.536 55.411 54.000 -0.207 0.000 0.837 7 D CB 0.018 40.777 40.800 -0.069 0.000 0.989 7 D HN 0.252 nan 8.370 nan 0.000 0.469 8 V N 0.870 120.725 119.914 -0.098 0.000 2.332 8 V HA -0.220 3.903 4.120 0.005 0.000 0.248 8 V C 2.429 178.469 176.094 -0.090 0.000 1.055 8 V CA 1.117 63.375 62.300 -0.071 0.000 1.038 8 V CB -0.364 31.438 31.823 -0.035 0.000 0.651 8 V HN 0.162 nan 8.190 nan 0.000 0.450 9 L N -0.178 120.981 121.223 -0.105 0.000 2.046 9 L HA -0.129 4.214 4.340 0.005 0.000 0.208 9 L C 2.554 179.341 176.870 -0.139 0.000 1.077 9 L CA 2.053 56.835 54.840 -0.098 0.000 0.747 9 L CB -0.545 41.471 42.059 -0.072 0.000 0.896 9 L HN 0.280 nan 8.230 nan 0.000 0.432 10 S N -1.007 114.551 115.700 -0.236 0.000 2.383 10 S HA -0.184 4.289 4.470 0.005 0.000 0.227 10 S C 2.054 176.563 174.600 -0.151 0.000 1.026 10 S CA 1.201 59.263 58.200 -0.231 0.000 0.981 10 S CB -0.322 62.659 63.200 -0.366 0.000 0.818 10 S HN 0.410 nan 8.310 nan 0.000 0.472 11 R N 0.768 121.184 120.500 -0.140 0.000 2.096 11 R HA 0.040 4.383 4.340 0.005 0.000 0.235 11 R C 2.241 178.463 176.300 -0.130 0.000 1.127 11 R CA 1.289 57.314 56.100 -0.126 0.000 0.968 11 R CB -0.216 30.024 30.300 -0.099 0.000 0.861 11 R HN 0.355 nan 8.270 nan 0.000 0.440 12 M N -0.149 119.391 119.600 -0.101 0.000 2.200 12 M HA -0.090 4.393 4.480 0.005 0.000 0.265 12 M C 2.055 178.301 176.300 -0.090 0.000 1.066 12 M CA 1.419 56.670 55.300 -0.081 0.000 1.127 12 M CB -0.007 32.562 32.600 -0.051 0.000 1.379 12 M HN 0.177 nan 8.290 nan 0.000 0.420 13 I N -0.321 120.201 120.570 -0.080 0.000 2.142 13 I HA -0.317 3.856 4.170 0.005 0.000 0.240 13 I C 2.670 178.748 176.117 -0.065 0.000 1.078 13 I CA 1.729 62.994 61.300 -0.059 0.000 1.343 13 I CB -0.486 37.506 38.000 -0.013 0.000 1.046 13 I HN 0.368 nan 8.210 nan 0.000 0.405 14 S N 0.306 115.975 115.700 -0.052 0.000 2.383 14 S HA -0.236 4.237 4.470 0.005 0.000 0.229 14 S C 1.822 176.303 174.600 -0.197 0.000 1.030 14 S CA 1.438 59.612 58.200 -0.044 0.000 1.002 14 S CB -0.540 62.608 63.200 -0.086 0.000 0.829 14 S HN 0.484 nan 8.310 nan 0.000 0.467 15 E N 1.130 121.145 120.200 -0.309 0.000 2.072 15 E HA -0.079 4.274 4.350 0.005 0.000 0.191 15 E C 2.233 178.759 176.600 -0.123 0.000 0.985 15 E CA 0.968 57.090 56.400 -0.464 0.000 0.801 15 E CB -0.127 29.358 29.700 -0.358 0.000 0.750 15 E HN 0.557 nan 8.360 nan 0.000 0.452 16 K N 0.569 120.887 120.400 -0.136 0.000 2.097 16 K HA -0.123 4.200 4.320 0.005 0.000 0.205 16 K C 2.109 178.491 176.600 -0.364 0.000 1.050 16 K CA 1.004 57.165 56.287 -0.209 0.000 0.938 16 K CB -0.058 32.279 32.500 -0.272 0.000 0.718 16 K HN 0.066 nan 8.250 nan 0.000 0.442 17 A N 1.244 123.872 122.820 -0.321 0.000 1.865 17 A HA -0.145 4.178 4.320 0.005 0.000 0.217 17 A C 2.345 179.902 177.584 -0.046 0.000 1.191 17 A CA 2.089 53.920 52.037 -0.343 0.000 0.623 17 A CB -0.857 17.878 19.000 -0.441 0.000 0.826 17 A HN 0.452 nan 8.150 nan 0.000 0.444 18 A N -0.469 122.379 122.820 0.047 0.000 1.902 18 A HA -0.032 4.291 4.320 0.005 0.000 0.217 18 A C 2.164 179.914 177.584 0.278 0.000 1.181 18 A CA 1.832 53.990 52.037 0.202 0.000 0.623 18 A CB -0.673 18.470 19.000 0.237 0.000 0.818 18 A HN 0.968 nan 8.150 nan 0.000 0.443 19 L N -0.711 120.706 121.223 0.324 0.000 2.093 19 L HA -0.138 4.205 4.340 0.005 0.000 0.208 19 L C 2.149 179.101 176.870 0.137 0.000 1.085 19 L CA 2.244 57.221 54.840 0.229 0.000 0.755 19 L CB -1.065 41.133 42.059 0.232 0.000 0.904 19 L HN 0.555 nan 8.230 nan 0.000 0.435 20 H N -0.626 118.428 119.070 -0.028 0.000 2.319 20 H HA -0.112 4.447 4.556 0.005 0.000 0.299 20 H C 2.032 177.396 175.328 0.061 0.000 1.092 20 H CA 0.955 56.972 56.048 -0.052 0.000 1.302 20 H CB -0.244 29.578 29.762 0.100 0.000 1.373 20 H HN 0.557 nan 8.280 nan 0.000 0.497 21 G N 0.624 109.565 108.800 0.235 0.000 2.432 21 G HA2 -0.217 3.746 3.960 0.005 0.000 0.219 21 G HA3 -0.217 3.746 3.960 0.005 0.000 0.219 21 G C 1.677 176.674 174.900 0.162 0.000 1.135 21 G CA 0.407 45.635 45.100 0.214 0.000 0.767 21 G HN 0.167 nan 8.290 nan 0.000 0.550 22 L N 0.042 121.338 121.223 0.122 0.000 2.131 22 L HA 0.277 4.620 4.340 0.005 0.000 0.206 22 L C 2.723 179.618 176.870 0.043 0.000 1.087 22 L CA 0.987 55.874 54.840 0.078 0.000 0.767 22 L CB -0.418 41.674 42.059 0.055 0.000 0.917 22 L HN 0.171 nan 8.230 nan 0.000 0.441 23 L N -0.648 120.560 121.223 -0.025 0.000 2.012 23 L HA -0.255 4.088 4.340 0.005 0.000 0.210 23 L C 2.266 179.181 176.870 0.075 0.000 1.073 23 L CA 1.301 56.094 54.840 -0.079 0.000 0.748 23 L CB -0.772 41.010 42.059 -0.461 0.000 0.891 23 L HN 0.307 nan 8.230 nan 0.000 0.431 24 N N -0.447 118.345 118.700 0.152 0.000 2.037 24 N HA -0.230 4.513 4.740 0.005 0.000 0.196 24 N C 1.855 177.445 175.510 0.133 0.000 1.034 24 N CA 1.966 55.130 53.050 0.190 0.000 0.861 24 N CB -0.829 37.783 38.487 0.208 0.000 1.039 24 N HN 0.344 nan 8.380 nan 0.000 0.427 25 C N -0.097 119.268 119.300 0.109 0.000 2.413 25 C HA -0.068 4.395 4.460 0.005 0.000 0.276 25 C C 2.706 177.778 174.990 0.136 0.000 1.236 25 C CA 0.227 59.292 59.018 0.080 0.000 1.735 25 C CB -1.301 26.475 27.740 0.060 0.000 2.031 25 C HN 0.462 nan 8.230 nan 0.000 0.474 26 L N 0.641 121.961 121.223 0.161 0.000 2.046 26 L HA -0.062 4.281 4.340 0.005 0.000 0.208 26 L C 2.174 179.181 176.870 0.229 0.000 1.077 26 L CA 1.907 56.889 54.840 0.236 0.000 0.747 26 L CB -0.493 41.637 42.059 0.118 0.000 0.896 26 L HN 0.317 nan 8.230 nan 0.000 0.432 27 I N -0.903 119.754 120.570 0.146 0.000 2.235 27 I HA -0.238 3.935 4.170 0.005 0.000 0.241 27 I C 2.394 178.564 176.117 0.088 0.000 1.085 27 I CA 1.167 62.538 61.300 0.118 0.000 1.378 27 I CB -0.300 37.769 38.000 0.116 0.000 1.076 27 I HN 0.135 nan 8.210 nan 0.000 0.415 28 K N 0.781 121.226 120.400 0.076 0.000 2.026 28 K HA -0.177 4.146 4.320 0.005 0.000 0.208 28 K C 1.951 178.522 176.600 -0.048 0.000 1.048 28 K CA 1.621 57.927 56.287 0.032 0.000 0.929 28 K CB -0.095 32.431 32.500 0.043 0.000 0.713 28 K HN 0.390 nan 8.250 nan 0.000 0.439 29 E N -1.041 119.101 120.200 -0.097 0.000 2.190 29 E HA -0.020 4.333 4.350 0.005 0.000 0.191 29 E C 1.306 177.592 176.600 -0.523 0.000 0.978 29 E CA 0.771 56.966 56.400 -0.342 0.000 0.839 29 E CB 0.200 29.622 29.700 -0.464 0.000 0.787 29 E HN 0.234 nan 8.360 nan 0.000 0.473 30 F N 0.095 120.044 119.950 -0.002 0.000 2.537 30 F HA 0.318 4.848 4.527 0.005 0.000 0.275 30 F C 2.273 178.051 175.800 -0.037 0.000 0.947 30 F CA 0.260 58.265 58.000 0.008 0.000 1.238 30 F CB -0.399 38.669 39.000 0.113 0.000 1.071 30 F HN -0.073 nan 8.300 nan 0.000 0.749 31 A N 0.895 123.865 122.820 0.250 0.000 1.877 31 A HA -0.121 4.202 4.320 0.005 0.000 0.216 31 A C 2.111 179.696 177.584 0.003 0.000 1.186 31 A CA 1.888 54.025 52.037 0.167 0.000 0.620 31 A CB -1.102 17.989 19.000 0.152 0.000 0.822 31 A HN 0.368 nan 8.150 nan 0.000 0.443 32 I N 0.273 120.840 120.570 -0.004 0.000 2.193 32 I HA -0.116 4.057 4.170 0.005 0.000 0.240 32 I C -0.350 175.717 176.117 -0.085 0.000 1.084 32 I CA 1.189 62.467 61.300 -0.036 0.000 1.365 32 I CB -1.097 36.902 38.000 -0.002 0.000 1.064 32 I HN 0.256 nan 8.210 nan 0.000 0.410 33 P HA -0.172 nan 4.420 nan 0.000 0.218 33 P C 0.983 178.182 177.300 -0.169 0.000 1.148 33 P CA 1.629 64.656 63.100 -0.121 0.000 0.822 33 P CB -0.013 31.610 31.700 -0.129 0.000 0.784 34 E N -1.685 118.350 120.200 -0.275 0.000 2.498 34 E HA 0.297 4.650 4.350 0.005 0.000 0.203 34 E C 0.832 177.100 176.600 -0.554 0.000 1.013 34 E CA 0.211 56.333 56.400 -0.463 0.000 0.927 34 E CB -0.147 29.133 29.700 -0.700 0.000 1.012 34 E HN 0.150 nan 8.360 nan 0.000 0.482 35 G N 1.093 109.697 108.800 -0.328 0.000 2.198 35 G HA2 -0.289 3.674 3.960 0.005 0.000 0.257 35 G HA3 -0.289 3.674 3.960 0.005 0.000 0.257 35 G C 0.136 175.008 174.900 -0.046 0.000 1.042 35 G CA 0.265 45.272 45.100 -0.154 0.000 0.791 35 G HN 0.271 nan 8.290 nan 0.000 0.502 36 Y N -1.033 119.272 120.300 0.008 0.000 2.490 36 Y HA 0.455 5.008 4.550 0.005 0.000 0.281 36 Y C 1.655 177.537 175.900 -0.029 0.000 1.174 36 Y CA -0.631 57.469 58.100 -0.000 0.000 1.295 36 Y CB 0.218 38.687 38.460 0.015 0.000 1.062 36 Y HN 0.421 nan 8.280 nan 0.000 0.522 37 L N 1.219 122.477 121.223 0.058 0.000 2.307 37 L HA 0.519 4.862 4.340 0.005 0.000 0.284 37 L C -0.508 176.284 176.870 -0.130 0.000 1.023 37 L CA -0.546 54.253 54.840 -0.069 0.000 0.810 37 L CB 1.034 43.010 42.059 -0.138 0.000 1.231 37 L HN -0.026 nan 8.230 nan 0.000 0.423 38 R N 3.471 123.860 120.500 -0.184 0.000 2.686 38 R HA 0.350 4.693 4.340 0.005 0.000 0.286 38 R C -1.652 174.457 176.300 -0.317 0.000 0.969 38 R CA -0.601 55.404 56.100 -0.158 0.000 0.898 38 R CB 1.836 32.111 30.300 -0.042 0.000 1.183 38 R HN 0.440 nan 8.270 nan 0.000 0.456 39 Y N 1.547 121.815 120.300 -0.054 0.000 2.751 39 Y HA 0.282 4.835 4.550 0.005 0.000 0.333 39 Y C 0.016 175.841 175.900 -0.126 0.000 1.122 39 Y CA -0.142 57.892 58.100 -0.110 0.000 1.367 39 Y CB 0.598 38.997 38.460 -0.102 0.000 1.242 39 Y HN 0.442 nan 8.280 nan 0.000 0.505 40 E N 0.434 120.589 120.200 -0.076 0.000 2.445 40 E HA 0.355 4.708 4.350 0.005 0.000 0.279 40 E C -1.629 174.861 176.600 -0.183 0.000 1.018 40 E CA -0.994 55.356 56.400 -0.082 0.000 0.816 40 E CB 1.650 31.363 29.700 0.022 0.000 1.356 40 E HN 0.342 nan 8.360 nan 0.000 0.462 41 W N 1.608 122.877 121.300 -0.052 0.000 2.376 41 W HA 0.391 5.055 4.660 0.006 0.000 0.322 41 W C -1.908 174.534 176.519 -0.127 0.000 1.160 41 W CA -1.367 55.893 57.345 -0.140 0.000 1.218 41 W CB 0.113 29.417 29.460 -0.259 0.000 1.205 41 W HN 0.328 nan 8.180 nan 0.000 0.559 42 P HA -0.099 nan 4.420 nan 0.000 0.269 42 P C 0.563 177.901 177.300 0.062 0.000 1.211 42 P CA 0.178 63.321 63.100 0.072 0.000 0.781 42 P CB 0.948 32.677 31.700 0.048 0.000 0.877 43 D N 0.197 120.645 120.400 0.080 0.000 2.087 43 D HA -0.088 4.555 4.640 0.005 0.000 0.203 43 D C 0.500 176.813 176.300 0.022 0.000 0.976 43 D CA 1.240 55.263 54.000 0.038 0.000 0.865 43 D CB -0.233 40.585 40.800 0.030 0.000 1.005 43 D HN 0.468 nan 8.370 nan 0.000 0.449 44 E N 0.003 120.229 120.200 0.044 0.000 2.373 44 E HA 0.019 4.372 4.350 0.005 0.000 0.267 44 E C 0.518 177.195 176.600 0.127 0.000 1.032 44 E CA 0.247 56.676 56.400 0.050 0.000 0.889 44 E CB 0.637 30.354 29.700 0.027 0.000 0.984 44 E HN 0.031 nan 8.360 nan 0.000 0.425 45 M N 2.451 122.084 119.600 0.055 0.000 2.300 45 M HA 0.116 4.599 4.480 0.005 0.000 0.313 45 M C 0.032 176.384 176.300 0.087 0.000 0.988 45 M CA -0.185 55.102 55.300 -0.021 0.000 1.012 45 M CB 0.113 32.556 32.600 -0.263 0.000 1.586 45 M HN 0.421 nan 8.290 nan 0.000 0.562 46 K N 1.501 121.980 120.400 0.133 0.000 2.440 46 K HA 0.114 4.436 4.320 0.005 0.000 0.275 46 K C 1.015 177.752 176.600 0.228 0.000 1.082 46 K CA 1.396 57.761 56.287 0.130 0.000 1.135 46 K CB 0.103 32.651 32.500 0.081 0.000 0.864 46 K HN 0.508 nan 8.250 nan 0.000 0.479 47 G N 3.756 112.672 108.800 0.192 0.000 2.480 47 G HA2 -0.174 3.789 3.960 0.005 0.000 0.193 47 G HA3 -0.174 3.789 3.960 0.005 0.000 0.193 47 G C -0.017 175.018 174.900 0.226 0.000 1.004 47 G CA -0.381 44.881 45.100 0.271 0.000 0.696 47 G HN 0.553 nan 8.290 nan 0.000 0.478 48 I N 4.120 124.686 120.570 -0.007 0.000 2.315 48 I HA 0.385 4.558 4.170 0.005 0.000 0.291 48 I C -1.738 174.397 176.117 0.030 0.000 1.006 48 I CA -2.169 58.961 61.300 -0.283 0.000 1.265 48 I CB 1.583 39.202 38.000 -0.635 0.000 1.387 48 I HN -0.042 nan 8.210 nan 0.000 0.475 49 P HA 0.195 nan 4.420 nan 0.000 0.275 49 P C -2.233 175.168 177.300 0.168 0.000 1.227 49 P CA -1.554 61.638 63.100 0.152 0.000 0.781 49 P CB 0.525 32.320 31.700 0.159 0.000 0.906 50 P HA -0.192 nan 4.420 nan 0.000 0.216 50 P C 1.605 178.748 177.300 -0.262 0.000 1.153 50 P CA 1.817 64.818 63.100 -0.165 0.000 0.858 50 P CB -0.639 31.066 31.700 0.009 0.000 0.789 51 G N -0.048 108.738 108.800 -0.023 0.000 2.564 51 G HA2 -0.167 3.796 3.960 0.005 0.000 0.217 51 G HA3 -0.167 3.796 3.960 0.005 0.000 0.217 51 G C 1.584 176.506 174.900 0.036 0.000 1.120 51 G CA 0.800 45.898 45.100 -0.003 0.000 0.752 51 G HN 0.431 nan 8.290 nan 0.000 0.558 52 A N -0.123 122.752 122.820 0.093 0.000 2.081 52 A HA 0.334 4.657 4.320 0.005 0.000 0.214 52 A C 1.779 179.569 177.584 0.343 0.000 1.158 52 A CA 1.294 53.473 52.037 0.237 0.000 0.724 52 A CB -0.070 19.100 19.000 0.283 0.000 0.826 52 A HN 0.699 nan 8.150 nan 0.000 0.463 53 Y N -4.965 115.524 120.300 0.315 0.000 2.499 53 Y HA 0.606 5.159 4.550 0.005 0.000 0.253 53 Y C -0.056 176.219 175.900 0.626 0.000 1.105 53 Y CA -1.833 56.538 58.100 0.451 0.000 1.240 53 Y CB -0.030 38.783 38.460 0.587 0.000 1.289 53 Y HN 0.069 nan 8.280 nan 0.000 0.534 54 F N 3.807 123.697 119.950 -0.099 0.000 2.539 54 F HA 0.444 4.973 4.527 0.003 0.000 0.328 54 F C -0.104 175.662 175.800 -0.056 0.000 1.148 54 F CA -1.763 56.220 58.000 -0.028 0.000 0.940 54 F CB 1.425 40.320 39.000 -0.175 0.000 1.194 54 F HN 0.086 nan 8.300 nan 0.000 0.438 55 D N 2.769 122.827 120.400 -0.570 0.000 2.325 55 D HA 0.286 4.929 4.640 0.005 0.000 0.225 55 D C 1.480 177.357 176.300 -0.706 0.000 1.096 55 D CA 0.644 54.352 54.000 -0.487 0.000 0.844 55 D CB 0.392 41.069 40.800 -0.205 0.000 0.925 55 D HN 0.951 nan 8.370 nan 0.000 0.513 56 G N -0.109 107.796 108.800 -1.492 0.000 2.345 56 G HA2 -0.277 3.686 3.960 0.005 0.000 0.218 56 G HA3 -0.277 3.686 3.960 0.005 0.000 0.218 56 G C 1.158 175.749 174.900 -0.515 0.000 1.058 56 G CA 0.250 44.791 45.100 -0.932 0.000 0.632 56 G HN 0.797 nan 8.290 nan 0.000 0.508 57 A N -0.826 121.760 122.820 -0.390 0.000 1.984 57 A HA 0.583 4.906 4.320 0.005 0.000 0.203 57 A C 0.741 178.290 177.584 -0.059 0.000 1.292 57 A CA 2.004 53.964 52.037 -0.129 0.000 0.782 57 A CB 0.355 19.291 19.000 -0.108 0.000 0.924 57 A HN 0.605 nan 8.150 nan 0.000 0.475 58 D N -3.253 117.094 120.400 -0.089 0.000 2.626 58 D HA 0.411 5.054 4.640 0.005 0.000 0.278 58 D C -1.371 175.000 176.300 0.118 0.000 1.211 58 D CA -0.821 53.145 54.000 -0.057 0.000 0.903 58 D CB 0.538 41.334 40.800 -0.007 0.000 1.408 58 D HN 0.250 nan 8.370 nan 0.000 0.454 59 W N 1.252 122.754 121.300 0.336 0.000 2.193 59 W HA 0.198 4.861 4.660 0.004 0.000 0.338 59 W C 0.941 177.625 176.519 0.275 0.000 1.310 59 W CA -0.542 57.055 57.345 0.420 0.000 1.243 59 W CB 0.477 30.268 29.460 0.552 0.000 1.165 59 W HN -0.027 nan 8.180 nan 0.000 0.566 60 K N 4.136 124.851 120.400 0.524 0.000 2.480 60 K HA 0.275 4.598 4.320 0.005 0.000 0.241 60 K C 0.787 177.523 176.600 0.226 0.000 1.261 60 K CA 0.436 56.893 56.287 0.283 0.000 1.193 60 K CB -0.425 32.209 32.500 0.223 0.000 1.598 60 K HN 0.827 nan 8.250 nan 0.000 0.278 61 G N 1.871 110.804 108.800 0.223 0.000 2.498 61 G HA2 -0.294 3.669 3.960 0.005 0.000 0.251 61 G HA3 -0.294 3.669 3.960 0.005 0.000 0.251 61 G C -0.319 174.660 174.900 0.132 0.000 1.170 61 G CA -0.653 44.534 45.100 0.145 0.000 0.944 61 G HN 0.402 nan 8.290 nan 0.000 0.567 62 I N 3.043 123.619 120.570 0.010 0.000 2.474 62 I HA 0.461 4.634 4.170 0.005 0.000 0.294 62 I C -2.082 173.890 176.117 -0.242 0.000 1.005 62 I CA -2.265 58.979 61.300 -0.093 0.000 1.113 62 I CB 2.549 40.518 38.000 -0.053 0.000 1.289 62 I HN 0.329 nan 8.210 nan 0.000 0.436 63 P HA 0.158 nan 4.420 nan 0.000 0.282 63 P C -1.026 176.066 177.300 -0.348 0.000 1.262 63 P CA -0.344 62.383 63.100 -0.622 0.000 0.773 63 P CB 1.044 32.085 31.700 -1.097 0.000 0.879 64 M N 4.788 124.153 119.600 -0.391 0.000 2.149 64 M HA 0.393 4.876 4.480 0.005 0.000 0.342 64 M C -0.971 175.199 176.300 -0.217 0.000 1.068 64 M CA -0.490 54.623 55.300 -0.312 0.000 0.991 64 M CB 0.837 33.287 32.600 -0.250 0.000 1.596 64 M HN 0.182 nan 8.290 nan 0.000 0.439 65 M N 6.657 126.163 119.600 -0.156 0.000 2.294 65 M HA 0.491 4.974 4.480 0.005 0.000 0.335 65 M C -1.203 175.082 176.300 -0.026 0.000 1.079 65 M CA -0.317 54.978 55.300 -0.007 0.000 0.982 65 M CB 1.444 34.063 32.600 0.032 0.000 1.651 65 M HN 0.672 nan 8.290 nan 0.000 0.437 66 I N 2.135 122.732 120.570 0.046 0.000 2.448 66 I HA 0.388 4.561 4.170 0.005 0.000 0.281 66 I C 0.525 176.672 176.117 0.051 0.000 1.027 66 I CA -0.623 60.706 61.300 0.049 0.000 1.111 66 I CB 1.850 39.878 38.000 0.046 0.000 1.236 66 I HN 0.750 nan 8.210 nan 0.000 0.452 67 G N 7.133 115.949 108.800 0.026 0.000 2.333 67 G HA2 0.657 4.620 3.960 0.005 0.000 0.290 67 G HA3 0.657 4.620 3.960 0.005 0.000 0.290 67 G C -0.612 174.168 174.900 -0.200 0.000 1.150 67 G CA -0.326 44.748 45.100 -0.044 0.000 0.895 67 G HN 0.418 nan 8.290 nan 0.000 0.444 68 L N 3.982 125.058 121.223 -0.246 0.000 2.331 68 L HA 0.381 4.724 4.340 0.005 0.000 0.275 68 L C -1.240 175.405 176.870 -0.376 0.000 1.022 68 L CA -2.163 52.421 54.840 -0.426 0.000 0.812 68 L CB 2.911 44.807 42.059 -0.272 0.000 1.257 68 L HN 0.362 nan 8.230 nan 0.000 0.435 69 P HA -0.109 nan 4.420 nan 0.000 0.239 69 P C 0.132 177.313 177.300 -0.197 0.000 1.184 69 P CA 0.660 63.592 63.100 -0.281 0.000 0.760 69 P CB -0.043 31.517 31.700 -0.233 0.000 0.884 70 D N -0.933 119.351 120.400 -0.192 0.000 2.358 70 D HA -0.009 4.634 4.640 0.005 0.000 0.224 70 D C 0.715 176.927 176.300 -0.146 0.000 1.123 70 D CA -0.549 53.340 54.000 -0.185 0.000 0.833 70 D CB -0.452 40.244 40.800 -0.173 0.000 0.946 70 D HN 0.035 nan 8.370 nan 0.000 0.505 71 Q N -1.288 118.425 119.800 -0.144 0.000 2.489 71 Q HA -0.212 4.131 4.340 0.005 0.000 0.259 71 Q C -0.802 175.127 176.000 -0.119 0.000 0.934 71 Q CA 0.187 55.914 55.803 -0.126 0.000 1.131 71 Q CB -1.372 27.297 28.738 -0.115 0.000 1.472 71 Q HN 0.468 nan 8.270 nan 0.000 0.560 72 L N 1.334 122.491 121.223 -0.111 0.000 2.326 72 L HA 0.325 4.668 4.340 0.005 0.000 0.278 72 L C -0.276 176.556 176.870 -0.064 0.000 1.092 72 L CA 0.553 55.340 54.840 -0.088 0.000 0.810 72 L CB 1.113 43.131 42.059 -0.067 0.000 1.153 72 L HN 0.089 nan 8.230 nan 0.000 0.439 73 Q N 5.291 125.071 119.800 -0.034 0.000 2.365 73 Q HA 0.529 4.872 4.340 0.005 0.000 0.269 73 Q C -1.465 174.708 176.000 0.289 0.000 1.061 73 Q CA -0.790 55.065 55.803 0.087 0.000 0.816 73 Q CB 3.002 31.777 28.738 0.061 0.000 1.325 73 Q HN 0.659 nan 8.270 nan 0.000 0.446 74 L N 2.580 123.989 121.223 0.311 0.000 2.362 74 L HA 0.693 5.036 4.340 0.005 0.000 0.271 74 L C -1.739 175.318 176.870 0.312 0.000 1.002 74 L CA -0.851 54.177 54.840 0.314 0.000 0.818 74 L CB 1.451 43.586 42.059 0.128 0.000 1.298 74 L HN 0.684 nan 8.230 nan 0.000 0.420 75 F N 5.684 125.664 119.950 0.051 0.000 2.557 75 F HA 0.726 5.257 4.527 0.005 0.000 0.316 75 F C -1.763 173.984 175.800 -0.089 0.000 1.141 75 F CA -0.539 57.353 58.000 -0.180 0.000 0.922 75 F CB 1.748 40.337 39.000 -0.684 0.000 1.194 75 F HN 0.274 nan 8.300 nan 0.000 0.443 76 V N 7.342 126.706 119.914 -0.917 0.000 3.012 76 V HA 0.536 4.659 4.120 0.005 0.000 0.307 76 V C -1.377 174.264 176.094 -0.756 0.000 1.166 76 V CA -0.836 61.071 62.300 -0.655 0.000 0.974 76 V CB 2.284 33.989 31.823 -0.198 0.000 1.040 76 V HN 0.753 nan 8.190 nan 0.000 0.428 77 M N 5.720 125.041 119.600 -0.465 0.000 2.180 77 M HA 0.524 5.007 4.480 0.005 0.000 0.358 77 M C -0.349 175.903 176.300 -0.080 0.000 1.233 77 M CA -0.199 54.950 55.300 -0.251 0.000 1.114 77 M CB 0.838 33.410 32.600 -0.046 0.000 1.594 77 M HN 0.685 nan 8.290 nan 0.000 0.467 78 V N 0.998 120.869 119.914 -0.071 0.000 2.864 78 V HA 0.588 4.711 4.120 0.005 0.000 0.314 78 V C 0.556 176.640 176.094 -0.018 0.000 1.073 78 V CA -0.839 61.433 62.300 -0.046 0.000 0.956 78 V CB 1.891 33.689 31.823 -0.042 0.000 1.023 78 V HN 0.840 nan 8.190 nan 0.000 0.435 79 D N 1.358 121.749 120.400 -0.015 0.000 2.317 79 D HA -0.006 4.637 4.640 0.005 0.000 0.211 79 D C 0.604 176.899 176.300 -0.009 0.000 0.966 79 D CA 0.728 54.739 54.000 0.018 0.000 0.876 79 D CB 0.276 41.120 40.800 0.073 0.000 0.927 79 D HN 0.895 nan 8.370 nan 0.000 0.519 80 R N -1.562 118.911 120.500 -0.044 0.000 2.690 80 R HA 0.472 4.815 4.340 0.005 0.000 0.269 80 R C -1.248 174.971 176.300 -0.134 0.000 1.037 80 R CA -0.948 55.104 56.100 -0.081 0.000 0.877 80 R CB 0.976 31.241 30.300 -0.057 0.000 1.255 80 R HN -0.256 nan 8.270 nan 0.000 0.467 81 R N 1.192 121.535 120.500 -0.261 0.000 2.210 81 R HA 0.200 4.543 4.340 0.005 0.000 0.338 81 R C -1.179 175.006 176.300 -0.192 0.000 1.062 81 R CA -0.300 55.532 56.100 -0.447 0.000 0.902 81 R CB 0.785 30.693 30.300 -0.654 0.000 1.050 81 R HN 0.613 nan 8.270 nan 0.000 0.461 82 D N 0.915 121.284 120.400 -0.052 0.000 2.696 82 D HA 0.069 4.712 4.640 0.005 0.000 0.251 82 D C 0.932 177.197 176.300 -0.059 0.000 1.188 82 D CA -0.521 53.439 54.000 -0.066 0.000 0.876 82 D CB 1.497 42.284 40.800 -0.022 0.000 1.334 82 D HN 0.466 nan 8.370 nan 0.000 0.540 83 T N 0.926 115.350 114.554 -0.218 0.000 3.035 83 T HA -0.055 4.298 4.350 0.005 0.000 0.268 83 T C 1.124 175.797 174.700 -0.044 0.000 1.109 83 T CA 0.566 62.536 62.100 -0.217 0.000 1.119 83 T CB -0.181 68.427 68.868 -0.435 0.000 0.900 83 T HN 0.299 nan 8.240 nan 0.000 0.503 84 F N 1.911 121.779 119.950 -0.136 0.000 2.693 84 F HA 0.524 5.054 4.527 0.005 0.000 0.303 84 F C 1.838 177.634 175.800 -0.007 0.000 1.097 84 F CA -1.534 56.421 58.000 -0.075 0.000 1.330 84 F CB -0.698 38.267 39.000 -0.058 0.000 1.067 84 F HN 0.374 nan 8.300 nan 0.000 0.565 85 G N 1.119 110.013 108.800 0.156 0.000 2.272 85 G HA2 -0.243 3.720 3.960 0.005 0.000 0.280 85 G HA3 -0.243 3.720 3.960 0.005 0.000 0.280 85 G C -0.090 174.860 174.900 0.084 0.000 1.067 85 G CA 0.310 45.478 45.100 0.113 0.000 0.902 85 G HN 0.267 nan 8.290 nan 0.000 0.500 86 S N 1.105 116.841 115.700 0.060 0.000 2.498 86 S HA 0.711 5.184 4.470 0.005 0.000 0.324 86 S C -0.125 174.390 174.600 -0.143 0.000 1.071 86 S CA -0.495 57.696 58.200 -0.015 0.000 1.113 86 S CB 1.776 65.023 63.200 0.078 0.000 0.976 86 S HN 0.953 nan 8.310 nan 0.000 0.462 87 Q N 1.728 121.331 119.800 -0.328 0.000 2.522 87 Q HA 0.354 4.697 4.340 0.005 0.000 0.285 87 Q C -1.668 173.889 176.000 -0.737 0.000 0.982 87 Q CA -0.760 54.779 55.803 -0.441 0.000 0.805 87 Q CB 0.515 29.085 28.738 -0.279 0.000 1.457 87 Q HN 0.642 nan 8.270 nan 0.000 0.394 88 H N 0.511 119.367 119.070 -0.357 0.000 2.582 88 H HA 0.395 4.954 4.556 0.005 0.000 0.345 88 H C -0.859 174.203 175.328 -0.443 0.000 1.104 88 H CA 0.155 55.994 56.048 -0.348 0.000 1.390 88 H CB 0.470 30.161 29.762 -0.118 0.000 1.461 88 H HN 0.374 nan 8.280 nan 0.000 0.551 89 Y N 2.458 122.736 120.300 -0.036 0.000 2.350 89 Y HA 0.124 4.676 4.550 0.005 0.000 0.340 89 Y C 0.663 176.589 175.900 0.043 0.000 1.006 89 Y CA -0.445 57.586 58.100 -0.115 0.000 1.166 89 Y CB 0.556 38.754 38.460 -0.437 0.000 1.168 89 Y HN 0.538 nan 8.280 nan 0.000 0.502 90 L N 2.196 123.511 121.223 0.154 0.000 2.640 90 L HA 0.195 4.538 4.340 0.005 0.000 0.230 90 L C 0.436 177.396 176.870 0.150 0.000 1.123 90 L CA 0.027 54.949 54.840 0.136 0.000 0.900 90 L CB -0.003 42.114 42.059 0.097 0.000 1.146 90 L HN 0.617 nan 8.230 nan 0.000 0.484 91 S N -3.068 112.729 115.700 0.162 0.000 2.661 91 S HA 0.473 4.946 4.470 0.005 0.000 0.285 91 S C -0.775 173.954 174.600 0.214 0.000 1.138 91 S CA -1.071 57.245 58.200 0.193 0.000 0.855 91 S CB 2.089 65.406 63.200 0.194 0.000 1.136 91 S HN -0.096 nan 8.310 nan 0.000 0.484 92 D N 0.324 120.881 120.400 0.262 0.000 2.393 92 D HA 0.374 5.017 4.640 0.005 0.000 0.246 92 D C -0.234 176.197 176.300 0.217 0.000 1.275 92 D CA -0.117 54.004 54.000 0.202 0.000 0.979 92 D CB 0.665 41.550 40.800 0.141 0.000 1.101 92 D HN 0.383 nan 8.370 nan 0.000 0.505 93 V N 1.008 120.957 119.914 0.059 0.000 2.394 93 V HA 0.219 4.342 4.120 0.005 0.000 0.282 93 V C -0.684 175.409 176.094 -0.001 0.000 1.031 93 V CA -0.553 61.790 62.300 0.072 0.000 0.881 93 V CB 0.459 32.279 31.823 -0.005 0.000 0.982 93 V HN 0.335 nan 8.190 nan 0.000 0.451 94 Y N 4.726 125.130 120.300 0.174 0.000 2.387 94 Y HA 0.716 5.269 4.550 0.004 0.000 0.336 94 Y C 0.074 176.273 175.900 0.499 0.000 1.067 94 Y CA -0.705 57.578 58.100 0.304 0.000 1.114 94 Y CB 1.732 40.330 38.460 0.230 0.000 1.208 94 Y HN 0.419 nan 8.280 nan 0.000 0.458 95 L N 3.289 124.864 121.223 0.587 0.000 2.341 95 L HA 0.751 5.094 4.340 0.005 0.000 0.267 95 L C -0.574 176.404 176.870 0.179 0.000 1.009 95 L CA -1.039 54.039 54.840 0.397 0.000 0.819 95 L CB 2.548 44.694 42.059 0.145 0.000 1.323 95 L HN 0.578 nan 8.230 nan 0.000 0.425 96 R N 0.470 120.854 120.500 -0.194 0.000 2.680 96 R HA 0.470 4.813 4.340 0.005 0.000 0.269 96 R C -1.013 175.083 176.300 -0.340 0.000 1.026 96 R CA -0.182 55.594 56.100 -0.540 0.000 0.889 96 R CB 2.521 31.935 30.300 -1.476 0.000 1.241 96 R HN 0.792 nan 8.270 nan 0.000 0.463 97 Q N 0.683 120.312 119.800 -0.284 0.000 1.749 97 Q HA 0.482 4.825 4.340 0.005 0.000 0.148 97 Q C -0.262 175.634 176.000 -0.173 0.000 0.429 97 Q CA -0.103 55.586 55.803 -0.190 0.000 0.698 97 Q CB 0.389 29.049 28.738 -0.130 0.000 0.863 97 Q HN 0.623 nan 8.270 nan 0.000 0.272 101 D N -0.679 119.566 120.400 -0.258 0.000 4.030 101 D HA -0.106 4.537 4.640 0.005 0.000 0.222 101 D C -0.382 175.822 176.300 -0.159 0.000 1.288 101 D CA 0.665 54.580 54.000 -0.141 0.000 0.865 101 D CB -0.726 40.044 40.800 -0.051 0.000 0.486 101 D HN 0.582 nan 8.370 nan 0.000 0.213 102 W N 2.231 123.562 121.300 0.051 0.000 2.158 102 W HA 0.407 5.069 4.660 0.004 0.000 0.339 102 W C 1.229 177.864 176.519 0.192 0.000 1.294 102 W CA 0.006 57.431 57.345 0.133 0.000 1.231 102 W CB 0.569 30.119 29.460 0.151 0.000 1.143 102 W HN 0.187 nan 8.180 nan 0.000 0.571 103 Q N 1.440 121.509 119.800 0.447 0.000 2.423 103 Q HA 0.412 4.755 4.340 0.005 0.000 0.278 103 Q C -1.376 174.667 176.000 0.073 0.000 1.097 103 Q CA -0.949 54.999 55.803 0.240 0.000 0.809 103 Q CB 2.724 31.528 28.738 0.110 0.000 1.391 103 Q HN 0.550 nan 8.270 nan 0.000 0.428 104 C N 3.682 122.907 119.300 -0.125 0.000 2.317 104 C HA 0.563 5.026 4.460 0.005 0.000 0.306 104 C C -2.290 172.620 174.990 -0.133 0.000 1.087 104 C CA -1.649 57.146 59.018 -0.371 0.000 1.529 104 C CB -0.635 26.725 27.740 -0.634 0.000 1.880 104 C HN 0.543 nan 8.230 nan 0.000 0.417 105 P HA 0.296 nan 4.420 nan 0.000 0.274 105 P C -0.283 177.009 177.300 -0.014 0.000 1.231 105 P CA 0.014 63.095 63.100 -0.031 0.000 0.790 105 P CB 0.643 32.325 31.700 -0.029 0.000 0.951 106 D N 0.389 120.801 120.400 0.020 0.000 2.346 106 D HA -0.070 4.573 4.640 0.005 0.000 0.236 106 D C 1.096 177.449 176.300 0.089 0.000 1.259 106 D CA -0.153 53.886 54.000 0.065 0.000 0.898 106 D CB 0.098 40.944 40.800 0.077 0.000 1.178 106 D HN 0.292 nan 8.370 nan 0.000 0.457 107 F N 0.924 120.877 119.950 0.006 0.000 2.032 107 F HA -0.288 4.242 4.527 0.004 0.000 0.297 107 F C 2.112 177.934 175.800 0.036 0.000 1.125 107 F CA 2.003 60.009 58.000 0.012 0.000 1.202 107 F CB -0.063 38.939 39.000 0.004 0.000 0.958 107 F HN 0.406 nan 8.300 nan 0.000 0.491 108 E N -0.038 120.225 120.200 0.106 0.000 2.038 108 E HA -0.214 4.139 4.350 0.005 0.000 0.195 108 E C -0.216 176.404 176.600 0.034 0.000 1.000 108 E CA 1.752 58.187 56.400 0.058 0.000 0.803 108 E CB -1.483 28.326 29.700 0.181 0.000 0.750 108 E HN 0.377 nan 8.360 nan 0.000 0.448 109 P HA -0.163 nan 4.420 nan 0.000 0.218 109 P C 1.475 178.741 177.300 -0.057 0.000 1.148 109 P CA 0.978 64.074 63.100 -0.008 0.000 0.822 109 P CB 0.017 31.716 31.700 -0.002 0.000 0.784 110 L N -0.786 120.374 121.223 -0.105 0.000 1.961 110 L HA -0.156 4.187 4.340 0.005 0.000 0.209 110 L C 2.208 178.976 176.870 -0.170 0.000 1.075 110 L CA 1.522 56.280 54.840 -0.136 0.000 0.749 110 L CB -0.956 41.011 42.059 -0.154 0.000 0.890 110 L HN -0.198 nan 8.230 nan 0.000 0.433 111 V N 0.595 120.323 119.914 -0.310 0.000 2.252 111 V HA -0.460 3.663 4.120 0.005 0.000 0.255 111 V C 2.769 178.848 176.094 -0.024 0.000 1.071 111 V CA 2.212 64.378 62.300 -0.223 0.000 1.050 111 V CB -1.242 30.362 31.823 -0.365 0.000 0.654 111 V HN 0.680 nan 8.190 nan 0.000 0.448 112 A N -0.737 122.109 122.820 0.042 0.000 1.859 112 A HA -0.297 4.026 4.320 0.005 0.000 0.217 112 A C 2.363 179.858 177.584 -0.149 0.000 1.198 112 A CA 2.358 54.322 52.037 -0.122 0.000 0.629 112 A CB -0.631 18.222 19.000 -0.245 0.000 0.830 112 A HN 0.519 nan 8.150 nan 0.000 0.446 113 R N -1.491 118.940 120.500 -0.115 0.000 2.081 113 R HA -0.096 4.247 4.340 0.005 0.000 0.235 113 R C 2.080 178.319 176.300 -0.101 0.000 1.131 113 R CA 1.330 57.368 56.100 -0.103 0.000 0.960 113 R CB -0.475 29.781 30.300 -0.074 0.000 0.856 113 R HN 0.457 nan 8.270 nan 0.000 0.436 114 L N 0.890 122.059 121.223 -0.091 0.000 2.083 114 L HA -0.149 4.194 4.340 0.005 0.000 0.209 114 L C 1.989 178.794 176.870 -0.108 0.000 1.083 114 L CA 1.434 56.221 54.840 -0.088 0.000 0.752 114 L CB -0.521 41.492 42.059 -0.078 0.000 0.899 114 L HN 0.141 nan 8.230 nan 0.000 0.433 115 L N -0.562 120.602 121.223 -0.099 0.000 2.072 115 L HA 0.015 4.358 4.340 0.005 0.000 0.205 115 L C 2.474 179.236 176.870 -0.181 0.000 1.079 115 L CA 1.815 56.593 54.840 -0.103 0.000 0.752 115 L CB -0.861 41.172 42.059 -0.042 0.000 0.906 115 L HN 0.209 nan 8.230 nan 0.000 0.436 116 A N -0.484 122.209 122.820 -0.212 0.000 2.024 116 A HA -0.145 4.178 4.320 0.005 0.000 0.220 116 A C 2.381 179.754 177.584 -0.351 0.000 1.164 116 A CA 1.749 53.591 52.037 -0.325 0.000 0.643 116 A CB -0.992 17.856 19.000 -0.252 0.000 0.806 116 A HN 0.587 nan 8.150 nan 0.000 0.451 117 A N -0.909 121.788 122.820 -0.205 0.000 1.854 117 A HA -0.097 4.226 4.320 0.005 0.000 0.214 117 A C 2.318 179.750 177.584 -0.255 0.000 1.192 117 A CA 1.510 53.451 52.037 -0.161 0.000 0.611 117 A CB -1.229 17.680 19.000 -0.151 0.000 0.832 117 A HN 0.607 nan 8.150 nan 0.000 0.442 118 C N -0.264 118.830 119.300 -0.344 0.000 2.432 118 C HA -0.094 4.369 4.460 0.005 0.000 0.277 118 C C 2.553 177.360 174.990 -0.306 0.000 1.249 118 C CA 1.034 59.734 59.018 -0.531 0.000 1.725 118 C CB -1.496 25.980 27.740 -0.440 0.000 2.028 118 C HN 0.668 nan 8.230 nan 0.000 0.477 119 E N -0.087 119.972 120.200 -0.236 0.000 2.187 119 E HA -0.255 4.098 4.350 0.005 0.000 0.199 119 E C 1.882 178.388 176.600 -0.157 0.000 1.004 119 E CA 1.347 57.629 56.400 -0.197 0.000 0.813 119 E CB -0.245 29.288 29.700 -0.278 0.000 0.736 119 E HN 0.733 nan 8.360 nan 0.000 0.468 120 H N 0.066 119.063 119.070 -0.123 0.000 2.372 120 H HA -0.002 4.557 4.556 0.005 0.000 0.301 120 H C 2.255 177.532 175.328 -0.086 0.000 1.065 120 H CA 0.939 56.925 56.048 -0.102 0.000 1.364 120 H CB -0.166 29.524 29.762 -0.119 0.000 1.406 120 H HN 0.166 nan 8.280 nan 0.000 0.521 121 I N 0.573 121.142 120.570 -0.001 0.000 2.142 121 I HA -0.218 3.955 4.170 0.005 0.000 0.240 121 I C 2.736 178.907 176.117 0.091 0.000 1.078 121 I CA 1.233 62.550 61.300 0.028 0.000 1.343 121 I CB -0.442 37.551 38.000 -0.012 0.000 1.046 121 I HN 0.113 nan 8.210 nan 0.000 0.405 122 A N 0.488 123.357 122.820 0.082 0.000 2.070 122 A HA 0.019 4.342 4.320 0.005 0.000 0.220 122 A C 2.102 179.730 177.584 0.073 0.000 1.159 122 A CA 1.337 53.448 52.037 0.122 0.000 0.656 122 A CB -1.108 17.970 19.000 0.131 0.000 0.800 122 A HN 0.696 nan 8.150 nan 0.000 0.453 123 G N -1.885 106.950 108.800 0.058 0.000 2.155 123 G HA2 -0.281 3.682 3.960 0.005 0.000 0.257 123 G HA3 -0.281 3.682 3.960 0.005 0.000 0.257 123 G C 0.260 175.179 174.900 0.033 0.000 0.983 123 G CA 0.715 45.847 45.100 0.054 0.000 0.676 123 G HN 0.783 nan 8.290 nan 0.000 0.528 124 R N -0.619 119.890 120.500 0.016 0.000 2.668 124 R HA 0.567 4.910 4.340 0.005 0.000 0.272 124 R C -0.649 175.637 176.300 -0.023 0.000 1.019 124 R CA -0.850 55.251 56.100 0.003 0.000 0.894 124 R CB 1.232 31.541 30.300 0.014 0.000 1.228 124 R HN 0.137 nan 8.270 nan 0.000 0.460 125 K N 1.455 121.838 120.400 -0.027 0.000 2.156 125 K HA 0.365 4.688 4.320 0.005 0.000 0.254 125 K C -0.862 175.725 176.600 -0.022 0.000 0.950 125 K CA -0.824 55.436 56.287 -0.045 0.000 0.849 125 K CB 1.331 33.799 32.500 -0.053 0.000 1.100 125 K HN 0.282 nan 8.250 nan 0.000 0.434 126 N N 2.374 121.062 118.700 -0.020 0.000 2.607 126 N HA 0.211 4.954 4.740 0.005 0.000 0.271 126 N C -2.338 173.187 175.510 0.025 0.000 1.142 126 N CA -1.761 51.291 53.050 0.004 0.000 0.810 126 N CB 1.414 39.908 38.487 0.012 0.000 1.306 126 N HN 0.231 nan 8.380 nan 0.000 0.536 127 P HA -0.013 nan 4.420 nan 0.000 0.235 127 P C 0.836 178.198 177.300 0.104 0.000 1.177 127 P CA 0.515 63.652 63.100 0.062 0.000 0.785 127 P CB 0.606 32.322 31.700 0.026 0.000 0.885 128 E N 0.290 120.530 120.200 0.066 0.000 2.085 128 E HA -0.195 4.158 4.350 0.005 0.000 0.194 128 E C 1.912 178.553 176.600 0.068 0.000 0.994 128 E CA 0.845 57.280 56.400 0.060 0.000 0.801 128 E CB -0.631 29.091 29.700 0.038 0.000 0.743 128 E HN 0.003 nan 8.360 nan 0.000 0.453 129 L N 0.382 121.648 121.223 0.072 0.000 1.994 129 L HA -0.157 4.186 4.340 0.005 0.000 0.208 129 L C 2.273 179.204 176.870 0.101 0.000 1.071 129 L CA 2.054 56.937 54.840 0.071 0.000 0.745 129 L CB -1.233 40.860 42.059 0.057 0.000 0.892 129 L HN 0.318 nan 8.230 nan 0.000 0.431 130 Y N 0.775 121.075 120.300 0.001 0.000 2.102 130 Y HA -0.293 4.260 4.550 0.005 0.000 0.280 130 Y C 2.443 178.359 175.900 0.027 0.000 1.178 130 Y CA 2.288 60.389 58.100 0.001 0.000 1.146 130 Y CB -0.222 38.227 38.460 -0.018 0.000 0.968 130 Y HN 0.338 nan 8.280 nan 0.000 0.504 131 E N 0.353 120.567 120.200 0.023 0.000 2.058 131 E HA -0.248 4.105 4.350 0.005 0.000 0.194 131 E C 2.109 178.673 176.600 -0.059 0.000 0.997 131 E CA 1.828 58.200 56.400 -0.048 0.000 0.801 131 E CB -0.508 29.221 29.700 0.047 0.000 0.746 131 E HN 0.716 nan 8.360 nan 0.000 0.450 132 Q N 0.085 119.881 119.800 -0.007 0.000 2.124 132 Q HA -0.091 4.252 4.340 0.005 0.000 0.202 132 Q C 2.500 178.510 176.000 0.016 0.000 0.977 132 Q CA 0.884 56.695 55.803 0.013 0.000 0.850 132 Q CB -0.249 28.511 28.738 0.036 0.000 0.901 132 Q HN 0.331 nan 8.270 nan 0.000 0.429 133 I N 1.073 121.642 120.570 -0.002 0.000 2.127 133 I HA -0.309 3.864 4.170 0.005 0.000 0.241 133 I C 2.401 178.537 176.117 0.032 0.000 1.075 133 I CA 1.197 62.512 61.300 0.026 0.000 1.334 133 I CB -0.364 37.636 38.000 0.000 0.000 1.040 133 I HN 0.170 nan 8.210 nan 0.000 0.405 134 L N 0.185 121.347 121.223 -0.100 0.000 2.042 134 L HA -0.275 4.068 4.340 0.005 0.000 0.210 134 L C 2.704 179.575 176.870 0.002 0.000 1.076 134 L CA 1.701 56.510 54.840 -0.051 0.000 0.749 134 L CB -0.800 41.132 42.059 -0.212 0.000 0.893 134 L HN 0.475 nan 8.230 nan 0.000 0.432 135 Q N -0.497 119.301 119.800 -0.004 0.000 2.123 135 Q HA -0.197 4.146 4.340 0.005 0.000 0.199 135 Q C 2.299 178.324 176.000 0.041 0.000 0.966 135 Q CA 1.826 57.642 55.803 0.023 0.000 0.845 135 Q CB 0.067 28.823 28.738 0.030 0.000 0.907 135 Q HN 0.363 nan 8.270 nan 0.000 0.439 136 S N 0.297 116.025 115.700 0.048 0.000 2.351 136 S HA -0.220 4.253 4.470 0.005 0.000 0.220 136 S C 1.957 176.593 174.600 0.060 0.000 1.035 136 S CA 1.626 59.863 58.200 0.061 0.000 1.031 136 S CB -0.335 62.910 63.200 0.075 0.000 0.928 136 S HN 0.504 nan 8.310 nan 0.000 0.433 137 Q N 0.691 120.521 119.800 0.050 0.000 2.135 137 Q HA -0.123 4.220 4.340 0.005 0.000 0.204 137 Q C 2.244 178.208 176.000 -0.059 0.000 0.981 137 Q CA 1.426 57.211 55.803 -0.031 0.000 0.856 137 Q CB -0.262 28.389 28.738 -0.146 0.000 0.902 137 Q HN 0.552 nan 8.270 nan 0.000 0.425 138 R N -0.142 120.342 120.500 -0.026 0.000 2.148 138 R HA -0.102 4.241 4.340 0.005 0.000 0.223 138 R C 2.308 178.621 176.300 0.021 0.000 1.088 138 R CA 0.684 56.774 56.100 -0.017 0.000 0.985 138 R CB -0.164 30.135 30.300 -0.002 0.000 0.880 138 R HN 0.195 nan 8.270 nan 0.000 0.451 139 L N 0.592 121.846 121.223 0.052 0.000 2.056 139 L HA -0.097 4.246 4.340 0.005 0.000 0.207 139 L C 1.934 178.858 176.870 0.090 0.000 1.078 139 L CA 1.580 56.480 54.840 0.100 0.000 0.749 139 L CB -0.365 41.767 42.059 0.122 0.000 0.901 139 L HN -0.132 nan 8.230 nan 0.000 0.433 140 V N -1.248 118.699 119.914 0.054 0.000 2.490 140 V HA -0.226 3.897 4.120 0.005 0.000 0.250 140 V C 2.715 178.802 176.094 -0.012 0.000 1.061 140 V CA 1.619 63.940 62.300 0.035 0.000 1.064 140 V CB -0.721 31.167 31.823 0.108 0.000 0.670 140 V HN 0.503 nan 8.190 nan 0.000 0.461 141 S N -0.271 115.416 115.700 -0.022 0.000 2.355 141 S HA -0.159 4.314 4.470 0.005 0.000 0.222 141 S C 2.240 176.823 174.600 -0.028 0.000 1.031 141 S CA 1.498 59.666 58.200 -0.052 0.000 0.993 141 S CB -0.346 62.814 63.200 -0.066 0.000 0.859 141 S HN 0.636 nan 8.310 nan 0.000 0.453 142 A N 1.190 124.037 122.820 0.045 0.000 1.883 142 A HA -0.094 4.229 4.320 0.005 0.000 0.217 142 A C 2.056 179.705 177.584 0.108 0.000 1.186 142 A CA 1.642 53.770 52.037 0.152 0.000 0.624 142 A CB -0.833 18.327 19.000 0.266 0.000 0.822 142 A HN 0.559 nan 8.150 nan 0.000 0.444 143 I N -0.490 120.062 120.570 -0.029 0.000 2.127 143 I HA -0.236 3.937 4.170 0.005 0.000 0.241 143 I C 2.364 178.218 176.117 -0.439 0.000 1.075 143 I CA 1.418 62.500 61.300 -0.363 0.000 1.334 143 I CB -0.327 37.528 38.000 -0.242 0.000 1.040 143 I HN 0.163 nan 8.210 nan 0.000 0.405 144 V N -0.506 119.204 119.914 -0.341 0.000 2.490 144 V HA -0.295 3.828 4.120 0.005 0.000 0.250 144 V C 2.494 178.439 176.094 -0.248 0.000 1.061 144 V CA 2.136 64.215 62.300 -0.368 0.000 1.064 144 V CB -0.570 31.124 31.823 -0.214 0.000 0.670 144 V HN 0.418 nan 8.190 nan 0.000 0.461 145 S N -1.339 114.271 115.700 -0.150 0.000 2.428 145 S HA -0.198 4.275 4.470 0.005 0.000 0.230 145 S C 1.980 176.652 174.600 0.119 0.000 1.014 145 S CA 1.481 59.666 58.200 -0.024 0.000 0.957 145 S CB -0.299 62.876 63.200 -0.042 0.000 0.784 145 S HN 0.848 nan 8.310 nan 0.000 0.499 146 H N 1.847 120.846 119.070 -0.120 0.000 2.333 146 H HA 0.207 4.766 4.556 0.005 0.000 0.302 146 H C 1.523 176.708 175.328 -0.238 0.000 1.075 146 H CA 1.887 57.848 56.048 -0.145 0.000 1.348 146 H CB -0.099 29.482 29.762 -0.301 0.000 1.393 146 H HN 0.367 nan 8.280 nan 0.000 0.509 147 N N -0.178 118.225 118.700 -0.495 0.000 2.230 147 N HA 0.040 4.783 4.740 0.005 0.000 0.202 147 N C 1.442 176.681 175.510 -0.451 0.000 1.119 147 N CA 0.570 53.248 53.050 -0.619 0.000 0.851 147 N CB 0.710 38.566 38.487 -1.052 0.000 0.990 147 N HN 0.422 nan 8.380 nan 0.000 0.497 148 G N 1.108 109.744 108.800 -0.272 0.000 2.598 148 G HA2 -0.230 3.733 3.960 0.005 0.000 0.215 148 G HA3 -0.230 3.733 3.960 0.005 0.000 0.215 148 G C 1.833 176.665 174.900 -0.114 0.000 1.131 148 G CA 0.694 45.734 45.100 -0.102 0.000 0.785 148 G HN 0.369 nan 8.290 nan 0.000 0.539 149 R N -0.486 119.894 120.500 -0.200 0.000 2.127 149 R HA 0.221 4.564 4.340 0.005 0.000 0.217 149 R C 1.542 177.763 176.300 -0.131 0.000 1.074 149 R CA 0.592 56.578 56.100 -0.191 0.000 0.991 149 R CB -0.731 29.435 30.300 -0.224 0.000 0.895 149 R HN 0.406 nan 8.270 nan 0.000 0.450 150 Q N 0.894 120.614 119.800 -0.133 0.000 2.479 150 Q HA 0.078 4.421 4.340 0.005 0.000 0.267 150 Q C -0.449 175.531 176.000 -0.034 0.000 1.071 150 Q CA 0.044 55.802 55.803 -0.075 0.000 0.935 150 Q CB 0.442 29.148 28.738 -0.054 0.000 1.295 150 Q HN 0.472 nan 8.270 nan 0.000 0.476 151 R N 0.748 121.243 120.500 -0.008 0.000 2.504 151 R HA -0.048 4.295 4.340 0.005 0.000 0.291 151 R C 1.239 177.565 176.300 0.043 0.000 0.974 151 R CA 0.362 56.469 56.100 0.013 0.000 1.077 151 R CB 0.157 30.469 30.300 0.020 0.000 0.926 151 R HN 0.715 nan 8.270 nan 0.000 0.407 152 A N 3.256 126.104 122.820 0.047 0.000 2.032 152 A HA -0.214 4.109 4.320 0.005 0.000 0.221 152 A C 1.247 178.902 177.584 0.118 0.000 1.165 152 A CA 2.035 54.124 52.037 0.086 0.000 0.645 152 A CB -0.238 18.805 19.000 0.073 0.000 0.807 152 A HN 0.860 nan 8.150 nan 0.000 0.453 153 D N -1.568 118.883 120.400 0.085 0.000 2.424 153 D HA 0.447 5.090 4.640 0.005 0.000 0.220 153 D C 1.188 177.531 176.300 0.072 0.000 1.150 153 D CA 0.551 54.596 54.000 0.075 0.000 0.831 153 D CB -0.355 40.497 40.800 0.086 0.000 0.981 153 D HN 0.244 nan 8.370 nan 0.000 0.500 154 A N 1.500 124.371 122.820 0.085 0.000 1.978 154 A HA -0.058 4.265 4.320 0.005 0.000 0.220 154 A C -0.233 177.382 177.584 0.052 0.000 1.170 154 A CA 0.948 53.034 52.037 0.081 0.000 0.636 154 A CB -1.361 17.691 19.000 0.088 0.000 0.810 154 A HN 0.260 nan 8.150 nan 0.000 0.448 155 P HA -0.059 nan 4.420 nan 0.000 0.229 155 P C 0.650 177.857 177.300 -0.154 0.000 1.150 155 P CA 0.715 63.739 63.100 -0.127 0.000 0.765 155 P CB 0.055 31.574 31.700 -0.302 0.000 0.783 156 L N -1.342 119.814 121.223 -0.110 0.000 2.693 156 L HA 0.124 4.467 4.340 0.005 0.000 0.235 156 L C 1.807 178.681 176.870 0.007 0.000 1.127 156 L CA 0.950 55.667 54.840 -0.204 0.000 0.914 156 L CB -0.460 41.340 42.059 -0.432 0.000 1.193 156 L HN -0.129 nan 8.230 nan 0.000 0.502 157 Q N -0.929 118.943 119.800 0.121 0.000 2.425 157 Q HA 0.149 4.492 4.340 0.005 0.000 0.204 157 Q C 0.068 176.245 176.000 0.295 0.000 0.933 157 Q CA 0.410 56.353 55.803 0.233 0.000 0.939 157 Q CB 0.284 29.128 28.738 0.176 0.000 1.044 157 Q HN 0.438 nan 8.270 nan 0.000 0.513 158 H N -1.519 117.604 119.070 0.089 0.000 3.151 158 H HA -0.024 4.535 4.556 0.005 0.000 0.333 158 H C -0.480 174.871 175.328 0.040 0.000 1.093 158 H CA -0.372 55.731 56.048 0.093 0.000 1.342 158 H CB 0.787 30.588 29.762 0.066 0.000 1.983 158 H HN -0.041 nan 8.280 nan 0.000 0.503 159 Y N 4.306 124.345 120.300 -0.435 0.000 2.069 159 Y HA -0.321 4.232 4.550 0.005 0.000 0.278 159 Y C 2.013 177.618 175.900 -0.490 0.000 1.175 159 Y CA 2.580 60.453 58.100 -0.380 0.000 1.134 159 Y CB 0.066 38.366 38.460 -0.267 0.000 0.965 159 Y HN 0.605 nan 8.280 nan 0.000 0.498 160 L N 0.776 121.472 121.223 -0.879 0.000 2.083 160 L HA -0.241 4.102 4.340 0.005 0.000 0.209 160 L C 2.188 178.830 176.870 -0.381 0.000 1.083 160 L CA 1.948 56.366 54.840 -0.703 0.000 0.752 160 L CB -0.777 41.056 42.059 -0.376 0.000 0.899 160 L HN 0.387 nan 8.230 nan 0.000 0.433 161 Q N -1.509 118.187 119.800 -0.173 0.000 2.172 161 Q HA -0.152 4.191 4.340 0.005 0.000 0.200 161 Q C 2.351 178.189 176.000 -0.269 0.000 0.964 161 Q CA 1.378 57.116 55.803 -0.107 0.000 0.855 161 Q CB -0.202 28.567 28.738 0.050 0.000 0.918 161 Q HN 0.669 nan 8.270 nan 0.000 0.444 162 S N 0.648 116.147 115.700 -0.336 0.000 2.419 162 S HA -0.168 4.305 4.470 0.005 0.000 0.233 162 S C 1.659 175.981 174.600 -0.463 0.000 1.016 162 S CA 0.994 58.957 58.200 -0.394 0.000 0.974 162 S CB 0.020 63.009 63.200 -0.352 0.000 0.786 162 S HN 0.267 nan 8.310 nan 0.000 0.492 163 E N 0.761 120.638 120.200 -0.538 0.000 2.190 163 E HA 0.037 4.390 4.350 0.005 0.000 0.191 163 E C 1.846 178.242 176.600 -0.340 0.000 0.978 163 E CA 0.611 56.745 56.400 -0.443 0.000 0.839 163 E CB -0.189 29.219 29.700 -0.487 0.000 0.787 163 E HN 0.764 nan 8.360 nan 0.000 0.473 164 Q N -0.377 119.226 119.800 -0.328 0.000 2.360 164 Q HA 0.137 4.480 4.340 0.005 0.000 0.202 164 Q C 1.217 176.910 176.000 -0.513 0.000 0.915 164 Q CA 0.362 56.015 55.803 -0.251 0.000 0.943 164 Q CB 0.753 29.434 28.738 -0.095 0.000 1.064 164 Q HN 0.070 nan 8.270 nan 0.000 0.511 165 G N 0.360 108.662 108.800 -0.831 0.000 3.651 165 G HA2 0.147 4.110 3.960 0.005 0.000 0.279 165 G HA3 0.147 4.110 3.960 0.005 0.000 0.279 165 G C -0.073 173.846 174.900 -1.634 0.000 1.024 165 G CA -0.274 43.755 45.100 -1.785 0.000 0.813 165 G HN 0.167 nan 8.290 nan 0.000 0.518 166 L N 1.105 121.800 121.223 -0.880 0.000 2.480 166 L HA 0.389 4.732 4.340 0.005 0.000 0.243 166 L C 1.210 177.827 176.870 -0.420 0.000 1.315 166 L CA -0.771 53.744 54.840 -0.542 0.000 1.231 166 L CB -0.768 41.111 42.059 -0.299 0.000 1.444 166 L HN 0.400 nan 8.230 nan 0.000 0.409 167 W N 0.884 121.945 121.300 -0.399 0.000 2.308 167 W HA -0.276 4.388 4.660 0.005 0.000 0.301 167 W C 1.208 177.318 176.519 -0.683 0.000 1.220 167 W CA 0.537 57.468 57.345 -0.692 0.000 1.240 167 W CB -0.440 28.332 29.460 -1.146 0.000 1.142 167 W HN 0.410 nan 8.180 nan 0.000 0.521 168 F N -0.559 119.482 119.950 0.152 0.000 2.704 168 F HA 0.431 4.961 4.527 0.005 0.000 0.304 168 F C 1.874 177.711 175.800 0.061 0.000 1.094 168 F CA 0.173 58.237 58.000 0.106 0.000 1.275 168 F CB -0.773 38.293 39.000 0.111 0.000 1.073 168 F HN -0.029 nan 8.300 nan 0.000 0.586 169 G N 0.365 109.237 108.800 0.119 0.000 2.574 169 G HA2 -0.333 3.630 3.960 0.005 0.000 0.282 169 G HA3 -0.333 3.630 3.960 0.005 0.000 0.282 169 G C -0.182 174.792 174.900 0.123 0.000 1.257 169 G CA 0.005 45.144 45.100 0.065 0.000 0.956 169 G HN 0.462 nan 8.290 nan 0.000 0.560 170 H N 3.585 122.661 119.070 0.012 0.000 3.107 170 H HA 0.202 4.761 4.556 0.005 0.000 0.301 170 H C -0.793 174.616 175.328 0.135 0.000 0.981 170 H CA -0.378 55.707 56.048 0.061 0.000 1.443 170 H CB 1.263 31.066 29.762 0.068 0.000 1.479 170 H HN 0.258 nan 8.280 nan 0.000 0.564 171 P HA 0.020 nan 4.420 nan 0.000 0.245 171 P C -0.000 177.495 177.300 0.325 0.000 1.206 171 P CA 0.219 63.469 63.100 0.250 0.000 0.781 171 P CB 0.667 32.450 31.700 0.140 0.000 0.994 172 S N 0.281 116.297 115.700 0.526 0.000 2.257 172 S HA 0.247 4.720 4.470 0.005 0.000 0.191 172 S C -0.630 174.100 174.600 0.217 0.000 1.386 172 S CA -0.278 58.141 58.200 0.364 0.000 1.233 172 S CB -0.467 62.928 63.200 0.325 0.000 1.138 172 S HN 0.191 nan 8.310 nan 0.000 0.483 173 H N 1.956 121.084 119.070 0.097 0.000 2.954 173 H HA 0.302 4.861 4.556 0.005 0.000 0.361 173 H C -2.550 172.799 175.328 0.035 0.000 1.122 173 H CA -1.552 54.470 56.048 -0.043 0.000 1.217 173 H CB 2.567 32.273 29.762 -0.093 0.000 1.776 173 H HN 0.053 nan 8.280 nan 0.000 0.533 174 P HA -0.008 nan 4.420 nan 0.000 0.217 174 P C 0.061 177.518 177.300 0.262 0.000 1.150 174 P CA 0.946 64.131 63.100 0.141 0.000 0.832 174 P CB 0.656 32.370 31.700 0.024 0.000 0.787 175 A N -0.557 122.546 122.820 0.473 0.000 3.453 175 A HA 0.388 4.711 4.320 0.005 0.000 0.262 175 A C -1.868 175.717 177.584 0.002 0.000 1.026 175 A CA -0.838 51.337 52.037 0.230 0.000 0.938 175 A CB 0.179 19.272 19.000 0.154 0.000 1.246 175 A HN -0.022 nan 8.150 nan 0.000 0.546 176 P HA -0.159 nan 4.420 nan 0.000 0.219 176 P C 0.567 177.736 177.300 -0.220 0.000 1.146 176 P CA 1.370 64.198 63.100 -0.454 0.000 0.808 176 P CB 0.262 31.902 31.700 -0.101 0.000 0.779 177 K N -0.839 119.521 120.400 -0.066 0.000 2.455 177 K HA 0.326 4.649 4.320 0.005 0.000 0.206 177 K C 0.542 177.144 176.600 0.004 0.000 1.027 177 K CA -0.389 55.894 56.287 -0.007 0.000 1.113 177 K CB 0.672 33.204 32.500 0.053 0.000 0.850 177 K HN -0.002 nan 8.250 nan 0.000 0.503 178 A N 2.092 124.896 122.820 -0.027 0.000 2.444 178 A HA 0.246 4.569 4.320 0.005 0.000 0.273 178 A C -0.238 177.294 177.584 -0.087 0.000 1.136 178 A CA -0.024 51.999 52.037 -0.023 0.000 0.799 178 A CB -0.046 18.951 19.000 -0.005 0.000 1.081 178 A HN 0.235 nan 8.150 nan 0.000 0.509 179 R N 2.383 122.816 120.500 -0.111 0.000 2.507 179 R HA 0.360 4.703 4.340 0.005 0.000 0.298 179 R C -1.443 174.601 176.300 -0.426 0.000 1.087 179 R CA -0.621 55.271 56.100 -0.347 0.000 0.917 179 R CB 1.571 31.650 30.300 -0.368 0.000 1.173 179 R HN 0.570 nan 8.270 nan 0.000 0.472 180 L N 4.384 125.374 121.223 -0.388 0.000 2.314 180 L HA 0.438 4.781 4.340 0.005 0.000 0.275 180 L C -1.378 175.395 176.870 -0.161 0.000 1.068 180 L CA -0.307 54.423 54.840 -0.183 0.000 0.894 180 L CB 0.063 42.076 42.059 -0.077 0.000 1.275 180 L HN 0.483 nan 8.230 nan 0.000 0.432 181 W N 4.573 125.886 121.300 0.020 0.000 2.509 181 W HA 0.597 5.260 4.660 0.005 0.000 0.351 181 W C -1.832 174.714 176.519 0.044 0.000 1.107 181 W CA -2.518 54.834 57.345 0.011 0.000 1.264 181 W CB -0.427 29.034 29.460 0.002 0.000 1.312 181 W HN 0.347 nan 8.180 nan 0.000 0.608 182 P HA 0.003 nan 4.420 nan 0.000 0.258 182 P C 0.438 177.900 177.300 0.272 0.000 1.187 182 P CA 0.538 63.840 63.100 0.337 0.000 0.767 182 P CB 0.580 32.579 31.700 0.498 0.000 0.770 183 A N 4.798 127.782 122.820 0.274 0.000 1.933 183 A HA -0.225 4.098 4.320 0.005 0.000 0.218 183 A C 1.948 179.570 177.584 0.064 0.000 1.175 183 A CA 1.525 53.664 52.037 0.170 0.000 0.628 183 A CB -1.552 17.542 19.000 0.156 0.000 0.814 183 A HN 0.775 nan 8.150 nan 0.000 0.444 184 H N -0.488 118.630 119.070 0.080 0.000 2.550 184 H HA -0.061 4.498 4.556 0.005 0.000 0.292 184 H C 1.452 176.814 175.328 0.055 0.000 1.072 184 H CA 1.370 57.453 56.048 0.057 0.000 1.217 184 H CB -0.576 29.222 29.762 0.060 0.000 1.355 184 H HN 0.455 nan 8.280 nan 0.000 0.586 185 L N 0.199 121.017 121.223 -0.675 0.000 2.477 185 L HA 0.187 4.530 4.340 0.005 0.000 0.220 185 L C 0.975 177.719 176.870 -0.210 0.000 1.106 185 L CA 0.600 55.181 54.840 -0.432 0.000 0.851 185 L CB -0.149 41.681 42.059 -0.383 0.000 0.994 185 L HN 0.623 nan 8.230 nan 0.000 0.462 186 G N -0.194 108.476 108.800 -0.216 0.000 2.846 186 G HA2 -0.245 3.718 3.960 0.005 0.000 0.660 186 G HA3 -0.245 3.718 3.960 0.005 0.000 0.660 186 G C 0.115 174.794 174.900 -0.368 0.000 1.464 186 G CA -0.234 44.720 45.100 -0.244 0.000 0.891 186 G HN 0.169 nan 8.290 nan 0.000 0.552 187 Q N -0.136 119.496 119.800 -0.280 0.000 2.263 187 Q HA 0.065 4.408 4.340 0.005 0.000 0.196 187 Q C 2.397 178.213 176.000 -0.307 0.000 0.965 187 Q CA 1.064 56.764 55.803 -0.171 0.000 0.851 187 Q CB -0.289 28.475 28.738 0.043 0.000 0.948 187 Q HN 0.833 nan 8.270 nan 0.000 0.516 188 E N 1.300 121.204 120.200 -0.493 0.000 2.149 188 E HA -0.312 4.041 4.350 0.005 0.000 0.215 188 E C 1.785 178.064 176.600 -0.535 0.000 1.055 188 E CA 2.121 58.113 56.400 -0.681 0.000 0.870 188 E CB 0.142 29.362 29.700 -0.800 0.000 0.764 188 E HN 0.176 nan 8.360 nan 0.000 0.463 189 Q N -1.377 117.940 119.800 -0.806 0.000 2.364 189 Q HA -0.127 4.216 4.340 0.005 0.000 0.209 189 Q C 0.706 176.111 176.000 -0.992 0.000 0.977 189 Q CA 1.680 56.798 55.803 -1.141 0.000 0.885 189 Q CB -0.066 27.488 28.738 -1.973 0.000 0.941 189 Q HN 0.576 nan 8.270 nan 0.000 0.464 190 W N -1.589 119.619 121.300 -0.154 0.000 2.518 190 W HA 0.573 5.236 4.660 0.005 0.000 0.352 190 W C -0.149 176.407 176.519 0.062 0.000 0.952 190 W CA -0.559 56.750 57.345 -0.060 0.000 1.624 190 W CB 0.507 29.838 29.460 -0.216 0.000 1.135 190 W HN -0.189 nan 8.180 nan 0.000 0.540 191 A N 3.277 126.209 122.820 0.186 0.000 2.269 191 A HA 0.337 4.660 4.320 0.005 0.000 0.302 191 A C -1.062 176.641 177.584 0.198 0.000 1.266 191 A CA -1.259 50.934 52.037 0.258 0.000 0.894 191 A CB 0.517 19.728 19.000 0.352 0.000 1.147 191 A HN -0.056 nan 8.150 nan 0.000 0.537 192 P HA -0.188 nan 4.420 nan 0.000 0.218 192 P C 0.578 177.933 177.300 0.092 0.000 1.148 192 P CA 1.294 64.431 63.100 0.061 0.000 0.822 192 P CB 0.294 31.986 31.700 -0.013 0.000 0.784 193 E N -1.226 119.051 120.200 0.130 0.000 2.401 193 E HA -0.079 4.274 4.350 0.005 0.000 0.199 193 E C 1.000 177.580 176.600 -0.032 0.000 1.023 193 E CA 0.840 57.325 56.400 0.141 0.000 0.859 193 E CB -0.814 28.963 29.700 0.128 0.000 0.780 193 E HN 0.375 nan 8.360 nan 0.000 0.523 194 F N -0.127 119.850 119.950 0.045 0.000 2.639 194 F HA 0.163 4.693 4.527 0.005 0.000 0.302 194 F C -0.001 175.792 175.800 -0.012 0.000 1.097 194 F CA -0.394 57.537 58.000 -0.115 0.000 1.294 194 F CB 0.327 39.160 39.000 -0.279 0.000 1.027 194 F HN -0.256 nan 8.300 nan 0.000 0.550 195 Q N -0.256 119.649 119.800 0.175 0.000 2.487 195 Q HA -0.205 4.138 4.340 0.005 0.000 0.279 195 Q C 0.347 176.418 176.000 0.119 0.000 1.228 195 Q CA 0.675 56.564 55.803 0.144 0.000 0.873 195 Q CB -2.028 26.810 28.738 0.166 0.000 1.260 195 Q HN 0.388 nan 8.270 nan 0.000 0.471 196 A N 0.776 123.656 122.820 0.100 0.000 2.565 196 A HA 0.332 4.655 4.320 0.005 0.000 0.237 196 A C 0.363 178.021 177.584 0.123 0.000 1.053 196 A CA 0.529 52.603 52.037 0.061 0.000 0.755 196 A CB 0.374 19.394 19.000 0.033 0.000 0.980 196 A HN 0.322 nan 8.150 nan 0.000 0.506 197 R N 0.779 121.361 120.500 0.136 0.000 2.744 197 R HA 0.737 5.080 4.340 0.005 0.000 0.279 197 R C -0.879 175.570 176.300 0.249 0.000 0.977 197 R CA -0.363 55.881 56.100 0.239 0.000 0.906 197 R CB 2.523 32.922 30.300 0.166 0.000 1.197 197 R HN 0.980 nan 8.270 nan 0.000 0.463 198 A N 1.090 124.134 122.820 0.374 0.000 2.517 198 A HA 0.692 5.015 4.320 0.005 0.000 0.297 198 A C -1.073 176.537 177.584 0.044 0.000 1.050 198 A CA -0.678 51.513 52.037 0.257 0.000 0.694 198 A CB 1.745 21.071 19.000 0.544 0.000 1.277 198 A HN 0.777 nan 8.150 nan 0.000 0.400 199 A N 1.918 124.726 122.820 -0.020 0.000 2.477 199 A HA 0.556 4.879 4.320 0.005 0.000 0.246 199 A C 0.256 177.710 177.584 -0.216 0.000 1.078 199 A CA -0.084 51.877 52.037 -0.126 0.000 0.770 199 A CB -0.302 18.636 19.000 -0.103 0.000 1.011 199 A HN 0.912 nan 8.150 nan 0.000 0.494 200 L N 1.699 122.719 121.223 -0.339 0.000 2.467 200 L HA 0.134 4.477 4.340 0.005 0.000 0.270 200 L C 0.779 177.535 176.870 -0.189 0.000 1.205 200 L CA -0.144 54.469 54.840 -0.378 0.000 0.828 200 L CB 0.257 42.057 42.059 -0.431 0.000 1.101 200 L HN 0.840 nan 8.230 nan 0.000 0.479 201 H N 1.456 120.421 119.070 -0.175 0.000 2.562 201 H HA 0.289 4.848 4.556 0.005 0.000 0.352 201 H C -0.733 174.501 175.328 -0.158 0.000 1.125 201 H CA 0.089 56.051 56.048 -0.144 0.000 1.379 201 H CB 0.812 30.541 29.762 -0.057 0.000 1.464 201 H HN 0.498 nan 8.280 nan 0.000 0.563 202 Q N 2.762 122.451 119.800 -0.186 0.000 2.345 202 Q HA 0.337 4.680 4.340 0.005 0.000 0.275 202 Q C -1.516 174.259 176.000 -0.374 0.000 1.063 202 Q CA -0.731 54.983 55.803 -0.148 0.000 0.819 202 Q CB 2.377 31.028 28.738 -0.144 0.000 1.356 202 Q HN 0.479 nan 8.270 nan 0.000 0.418 203 F N 0.255 120.217 119.950 0.019 0.000 2.577 203 F HA 0.357 4.887 4.527 0.005 0.000 0.318 203 F C -0.008 175.756 175.800 -0.060 0.000 1.065 203 F CA -0.792 57.206 58.000 -0.003 0.000 0.929 203 F CB 1.926 40.917 39.000 -0.016 0.000 1.237 203 F HN 0.405 nan 8.300 nan 0.000 0.468 204 E N 2.157 122.427 120.200 0.118 0.000 2.174 204 E HA 0.605 4.958 4.350 0.005 0.000 0.282 204 E C -1.553 175.058 176.600 0.020 0.000 0.992 204 E CA -0.650 55.783 56.400 0.056 0.000 0.803 204 E CB 1.354 31.067 29.700 0.022 0.000 1.090 204 E HN 0.509 nan 8.360 nan 0.000 0.396 205 V N 1.886 121.769 119.914 -0.051 0.000 2.876 205 V HA 0.665 4.788 4.120 0.005 0.000 0.312 205 V C -2.676 173.316 176.094 -0.170 0.000 1.085 205 V CA -2.654 59.454 62.300 -0.320 0.000 0.945 205 V CB 1.524 32.716 31.823 -1.051 0.000 1.017 205 V HN 0.596 nan 8.190 nan 0.000 0.428 206 P HA 0.154 nan 4.420 nan 0.000 0.276 206 P C 1.106 178.363 177.300 -0.071 0.000 1.230 206 P CA 0.191 62.973 63.100 -0.530 0.000 0.776 206 P CB 1.635 33.142 31.700 -0.322 0.000 0.888 207 V N 0.535 120.378 119.914 -0.119 0.000 2.720 207 V HA -0.199 3.924 4.120 0.005 0.000 0.256 207 V C 1.634 177.731 176.094 0.006 0.000 1.082 207 V CA 2.118 64.418 62.300 -0.001 0.000 1.101 207 V CB -1.563 30.254 31.823 -0.009 0.000 0.693 207 V HN 0.511 nan 8.190 nan 0.000 0.479 208 D N 1.649 122.036 120.400 -0.021 0.000 2.371 208 D HA 0.014 4.657 4.640 0.005 0.000 0.221 208 D C 1.795 178.020 176.300 -0.125 0.000 0.986 208 D CA 1.198 55.160 54.000 -0.062 0.000 0.899 208 D CB -0.274 40.492 40.800 -0.058 0.000 0.902 208 D HN 0.544 nan 8.370 nan 0.000 0.530 209 G N 0.097 108.850 108.800 -0.078 0.000 3.189 209 G HA2 0.236 4.199 3.960 0.005 0.000 0.225 209 G HA3 0.236 4.199 3.960 0.005 0.000 0.225 209 G C 0.487 175.104 174.900 -0.473 0.000 1.159 209 G CA -0.440 44.391 45.100 -0.449 0.000 0.763 209 G HN 0.203 nan 8.290 nan 0.000 0.549 210 L N 1.463 122.584 121.223 -0.169 0.000 2.305 210 L HA 0.356 4.699 4.340 0.005 0.000 0.281 210 L C -0.501 176.203 176.870 -0.275 0.000 1.085 210 L CA -0.764 54.049 54.840 -0.046 0.000 0.813 210 L CB 0.970 43.066 42.059 0.062 0.000 1.157 210 L HN 0.171 nan 8.230 nan 0.000 0.436 211 H N 4.335 123.408 119.070 0.006 0.000 2.673 211 H HA 0.466 5.025 4.556 0.005 0.000 0.293 211 H C -0.578 174.771 175.328 0.036 0.000 1.065 211 H CA -0.236 55.820 56.048 0.014 0.000 1.236 211 H CB 0.609 30.378 29.762 0.010 0.000 1.389 211 H HN 0.370 nan 8.280 nan 0.000 0.481 212 I N 2.184 122.819 120.570 0.109 0.000 2.404 212 I HA 0.443 4.616 4.170 0.005 0.000 0.293 212 I C 0.746 176.923 176.117 0.100 0.000 0.992 212 I CA -0.731 60.628 61.300 0.099 0.000 1.149 212 I CB 2.009 40.056 38.000 0.077 0.000 1.315 212 I HN 0.611 nan 8.210 nan 0.000 0.446 213 G N 4.229 113.092 108.800 0.105 0.000 2.388 213 G HA2 0.810 4.773 3.960 0.005 0.000 0.330 213 G HA3 0.810 4.773 3.960 0.005 0.000 0.330 213 G C -1.204 173.748 174.900 0.087 0.000 1.142 213 G CA -0.520 44.638 45.100 0.096 0.000 0.908 213 G HN 0.802 nan 8.290 nan 0.000 0.473 214 A N 2.047 124.912 122.820 0.075 0.000 2.517 214 A HA 0.745 5.068 4.320 0.005 0.000 0.297 214 A C -1.217 176.405 177.584 0.064 0.000 1.050 214 A CA -0.860 51.214 52.037 0.062 0.000 0.694 214 A CB 1.791 20.822 19.000 0.053 0.000 1.277 214 A HN 0.501 nan 8.150 nan 0.000 0.400 215 N N 0.647 119.386 118.700 0.065 0.000 2.504 215 N HA 0.520 5.263 4.740 0.005 0.000 0.280 215 N C 0.550 176.099 175.510 0.066 0.000 1.052 215 N CA 0.689 53.781 53.050 0.071 0.000 0.887 215 N CB 1.727 40.268 38.487 0.090 0.000 1.323 215 N HN 1.756 nan 8.380 nan 0.000 0.509 216 G N 1.276 110.110 108.800 0.056 0.000 2.168 216 G HA2 -0.245 3.718 3.960 0.005 0.000 0.257 216 G HA3 -0.245 3.718 3.960 0.005 0.000 0.257 216 G C -0.309 174.620 174.900 0.049 0.000 0.997 216 G CA 0.477 45.607 45.100 0.051 0.000 0.708 216 G HN 0.445 nan 8.290 nan 0.000 0.520 217 L N -0.297 120.953 121.223 0.045 0.000 2.376 217 L HA 0.655 4.998 4.340 0.005 0.000 0.258 217 L C 0.780 177.672 176.870 0.035 0.000 1.013 217 L CA -0.684 54.179 54.840 0.039 0.000 0.822 217 L CB 2.223 44.299 42.059 0.029 0.000 1.388 217 L HN 0.268 nan 8.230 nan 0.000 0.413 218 T N -2.725 111.848 114.554 0.033 0.000 2.910 218 T HA 0.273 4.626 4.350 0.005 0.000 0.293 218 T C -2.062 172.659 174.700 0.036 0.000 1.015 218 T CA -1.635 60.484 62.100 0.033 0.000 1.094 218 T CB 1.399 70.285 68.868 0.031 0.000 0.968 218 T HN 0.299 nan 8.240 nan 0.000 0.521 219 P HA -0.208 nan 4.420 nan 0.000 0.217 219 P C 1.983 179.314 177.300 0.051 0.000 1.162 219 P CA 1.147 64.276 63.100 0.048 0.000 0.901 219 P CB 0.016 31.741 31.700 0.042 0.000 0.793 220 Q N -0.334 119.492 119.800 0.044 0.000 2.096 220 Q HA -0.261 4.082 4.340 0.005 0.000 0.208 220 Q C 2.271 178.299 176.000 0.047 0.000 0.993 220 Q CA 1.829 57.660 55.803 0.045 0.000 0.862 220 Q CB -1.061 27.700 28.738 0.038 0.000 0.915 220 Q HN 0.475 nan 8.270 nan 0.000 0.416 221 Q N -0.508 119.314 119.800 0.036 0.000 2.124 221 Q HA -0.117 4.226 4.340 0.005 0.000 0.202 221 Q C 2.201 178.198 176.000 -0.005 0.000 0.977 221 Q CA 1.438 57.257 55.803 0.027 0.000 0.850 221 Q CB 0.047 28.802 28.738 0.028 0.000 0.901 221 Q HN 0.201 nan 8.270 nan 0.000 0.429 222 V N 0.898 120.814 119.914 0.003 0.000 2.261 222 V HA -0.294 3.829 4.120 0.005 0.000 0.246 222 V C 2.192 178.359 176.094 0.122 0.000 1.047 222 V CA 1.665 63.964 62.300 -0.002 0.000 1.015 222 V CB -0.659 31.208 31.823 0.073 0.000 0.642 222 V HN 0.371 nan 8.190 nan 0.000 0.446 223 L N -0.030 121.288 121.223 0.158 0.000 2.043 223 L HA -0.246 4.097 4.340 0.005 0.000 0.212 223 L C 2.468 179.433 176.870 0.159 0.000 1.075 223 L CA 1.879 56.835 54.840 0.193 0.000 0.752 223 L CB -0.897 41.230 42.059 0.114 0.000 0.891 223 L HN 0.396 nan 8.230 nan 0.000 0.432 224 D N 0.026 120.480 120.400 0.090 0.000 2.149 224 D HA -0.153 4.489 4.640 0.005 0.000 0.198 224 D C 2.091 178.448 176.300 0.095 0.000 0.990 224 D CA 1.590 55.640 54.000 0.084 0.000 0.839 224 D CB -0.214 40.629 40.800 0.071 0.000 0.948 224 D HN 0.443 nan 8.370 nan 0.000 0.460 225 G N 0.115 108.911 108.800 -0.006 0.000 2.442 225 G HA2 -0.253 3.710 3.960 0.005 0.000 0.219 225 G HA3 -0.253 3.710 3.960 0.005 0.000 0.219 225 G C 1.391 176.241 174.900 -0.083 0.000 1.141 225 G CA 0.380 45.405 45.100 -0.125 0.000 0.763 225 G HN 0.196 nan 8.290 nan 0.000 0.554 226 F N 1.009 120.973 119.950 0.023 0.000 2.219 226 F HA 0.510 5.040 4.527 0.005 0.000 0.294 226 F C 1.387 177.171 175.800 -0.026 0.000 1.086 226 F CA 0.862 58.864 58.000 0.004 0.000 1.330 226 F CB 0.208 39.200 39.000 -0.014 0.000 1.047 226 F HN 0.265 nan 8.300 nan 0.000 0.495 227 A N -0.645 122.276 122.820 0.168 0.000 2.540 227 A HA 0.280 4.603 4.320 0.005 0.000 0.297 227 A C -1.384 176.229 177.584 0.049 0.000 1.056 227 A CA -0.806 51.273 52.037 0.070 0.000 0.700 227 A CB 0.566 19.607 19.000 0.068 0.000 1.280 227 A HN -0.017 nan 8.150 nan 0.000 0.398 228 D N 1.853 122.258 120.400 0.008 0.000 2.472 228 D HA 0.012 4.655 4.640 0.005 0.000 0.248 228 D C 0.360 176.668 176.300 0.014 0.000 1.174 228 D CA 0.309 54.314 54.000 0.008 0.000 0.883 228 D CB 0.901 41.691 40.800 -0.016 0.000 1.149 228 D HN 0.426 nan 8.370 nan 0.000 0.488 229 Q N 2.964 122.780 119.800 0.026 0.000 2.403 229 Q HA -0.080 4.263 4.340 0.005 0.000 0.203 229 Q C 1.460 177.470 176.000 0.017 0.000 0.932 229 Q CA 0.178 55.998 55.803 0.028 0.000 0.945 229 Q CB 0.175 28.937 28.738 0.040 0.000 1.045 229 Q HN 0.683 nan 8.270 nan 0.000 0.511 230 Q N 1.286 121.091 119.800 0.007 0.000 2.061 230 Q HA -0.130 4.213 4.340 0.005 0.000 0.204 230 Q C -0.771 175.226 176.000 -0.005 0.000 0.984 230 Q CA 1.583 57.386 55.803 0.001 0.000 0.846 230 Q CB -0.489 28.246 28.738 -0.005 0.000 0.902 230 Q HN 0.226 nan 8.270 nan 0.000 0.421 231 P HA -0.046 nan 4.420 nan 0.000 0.229 231 P C -0.988 176.300 177.300 -0.020 0.000 1.150 231 P CA 0.883 63.969 63.100 -0.023 0.000 0.765 231 P CB -0.116 31.564 31.700 -0.033 0.000 0.783 232 A N 0.293 123.112 122.820 -0.002 0.000 2.362 232 A HA 0.440 4.763 4.320 0.005 0.000 0.276 232 A C 0.780 178.368 177.584 0.007 0.000 1.153 232 A CA -0.278 51.766 52.037 0.012 0.000 0.813 232 A CB 0.004 19.033 19.000 0.048 0.000 1.081 232 A HN 0.214 nan 8.150 nan 0.000 0.507 233 S N 2.983 118.665 115.700 -0.030 0.000 2.614 233 S HA 0.505 4.978 4.470 0.005 0.000 0.265 233 S C -2.589 172.038 174.600 0.045 0.000 1.303 233 S CA -1.108 57.068 58.200 -0.039 0.000 1.000 233 S CB -0.033 63.084 63.200 -0.137 0.000 0.935 233 S HN 0.493 nan 8.310 nan 0.000 0.551 234 P HA 0.233 nan 4.420 nan 0.000 0.266 234 P C 1.063 178.487 177.300 0.205 0.000 1.193 234 P CA 1.313 64.471 63.100 0.096 0.000 0.770 234 P CB -0.068 31.670 31.700 0.063 0.000 0.836 235 G N 0.041 108.931 108.800 0.150 0.000 2.168 235 G HA2 -0.228 3.735 3.960 0.005 0.000 0.263 235 G HA3 -0.228 3.735 3.960 0.005 0.000 0.263 235 G C -0.026 174.869 174.900 -0.007 0.000 0.977 235 G CA 0.278 45.440 45.100 0.104 0.000 0.659 235 G HN 0.706 nan 8.290 nan 0.000 0.533 236 H N -0.632 118.451 119.070 0.021 0.000 2.946 236 H HA 0.825 5.384 4.556 0.005 0.000 0.365 236 H C 0.196 175.530 175.328 0.009 0.000 1.197 236 H CA 0.301 56.357 56.048 0.013 0.000 1.131 236 H CB 1.978 31.739 29.762 -0.001 0.000 1.849 236 H HN 0.780 nan 8.280 nan 0.000 0.555 237 A N 1.088 123.980 122.820 0.121 0.000 2.569 237 A HA 0.648 4.971 4.320 0.005 0.000 0.290 237 A C -1.576 176.034 177.584 0.044 0.000 1.136 237 A CA -0.601 51.477 52.037 0.067 0.000 0.710 237 A CB 1.309 20.339 19.000 0.050 0.000 1.303 237 A HN 0.446 nan 8.150 nan 0.000 0.413 238 I N 2.084 122.675 120.570 0.036 0.000 2.339 238 I HA 0.385 4.558 4.170 0.005 0.000 0.290 238 I C 0.058 176.188 176.117 0.021 0.000 0.994 238 I CA -0.370 60.946 61.300 0.025 0.000 1.191 238 I CB 0.594 38.604 38.000 0.016 0.000 1.343 238 I HN 0.657 nan 8.210 nan 0.000 0.458 239 I N 4.752 125.331 120.570 0.015 0.000 2.607 239 I HA 0.799 4.972 4.170 0.005 0.000 0.305 239 I C 0.137 176.276 176.117 0.036 0.000 0.995 239 I CA -0.545 60.742 61.300 -0.021 0.000 1.148 239 I CB 1.981 39.933 38.000 -0.080 0.000 1.323 239 I HN 0.655 nan 8.210 nan 0.000 0.461 240 C N 4.494 123.788 119.300 -0.010 0.000 2.822 240 C HA 0.949 5.412 4.460 0.005 0.000 0.341 240 C C -0.334 174.664 174.990 0.013 0.000 1.301 240 C CA -0.761 58.272 59.018 0.026 0.000 1.706 240 C CB 1.609 29.353 27.740 0.006 0.000 2.178 240 C HN 1.132 nan 8.230 nan 0.000 0.481 241 M N 0.826 120.446 119.600 0.034 0.000 2.660 241 M HA 0.289 4.772 4.480 0.005 0.000 0.281 241 M C -1.237 175.115 176.300 0.087 0.000 1.131 241 M CA -0.203 55.135 55.300 0.063 0.000 0.858 241 M CB 1.400 34.066 32.600 0.109 0.000 1.732 241 M HN 1.114 nan 8.290 nan 0.000 0.516 242 H N 3.946 123.062 119.070 0.077 0.000 2.964 242 H HA 0.153 4.712 4.556 0.005 0.000 0.328 242 H C -2.152 173.200 175.328 0.041 0.000 1.030 242 H CA -0.215 55.929 56.048 0.160 0.000 1.445 242 H CB 1.068 30.972 29.762 0.237 0.000 1.449 242 H HN 0.389 nan 8.280 nan 0.000 0.581 243 P HA -0.197 nan 4.420 nan 0.000 0.216 243 P C 1.731 179.056 177.300 0.041 0.000 1.150 243 P CA 0.991 64.181 63.100 0.150 0.000 0.843 243 P CB 0.321 32.132 31.700 0.184 0.000 0.787 244 V N -0.283 119.575 119.914 -0.094 0.000 2.295 244 V HA -0.280 3.843 4.120 0.005 0.000 0.246 244 V C 2.673 178.749 176.094 -0.029 0.000 1.049 244 V CA 2.144 64.328 62.300 -0.192 0.000 1.024 244 V CB -1.373 30.155 31.823 -0.491 0.000 0.648 244 V HN 0.122 nan 8.190 nan 0.000 0.447 245 Q N 0.507 120.311 119.800 0.006 0.000 2.170 245 Q HA -0.142 4.201 4.340 0.005 0.000 0.203 245 Q C 2.036 178.082 176.000 0.077 0.000 0.976 245 Q CA 2.070 57.888 55.803 0.026 0.000 0.858 245 Q CB -0.490 28.264 28.738 0.027 0.000 0.907 245 Q HN 0.620 nan 8.270 nan 0.000 0.433 246 A N -0.285 122.575 122.820 0.066 0.000 1.929 246 A HA -0.162 4.161 4.320 0.005 0.000 0.216 246 A C 1.987 179.644 177.584 0.122 0.000 1.176 246 A CA 1.234 53.325 52.037 0.091 0.000 0.628 246 A CB -0.442 18.358 19.000 -0.335 0.000 0.816 246 A HN 0.363 nan 8.150 nan 0.000 0.444 247 Q N 0.107 119.944 119.800 0.063 0.000 2.030 247 Q HA -0.138 4.205 4.340 0.005 0.000 0.204 247 Q C 2.186 178.271 176.000 0.141 0.000 0.986 247 Q CA 1.548 57.418 55.803 0.111 0.000 0.843 247 Q CB -0.679 28.138 28.738 0.132 0.000 0.904 247 Q HN 0.720 nan 8.270 nan 0.000 0.420 248 L N -0.506 120.805 121.223 0.147 0.000 2.017 248 L HA -0.164 4.179 4.340 0.005 0.000 0.208 248 L C 2.366 179.367 176.870 0.218 0.000 1.073 248 L CA 1.216 56.152 54.840 0.160 0.000 0.745 248 L CB -0.634 41.507 42.059 0.137 0.000 0.894 248 L HN 0.122 nan 8.230 nan 0.000 0.432 249 F N 0.396 120.380 119.950 0.056 0.000 2.120 249 F HA -0.324 4.206 4.527 0.005 0.000 0.300 249 F C 2.482 178.360 175.800 0.130 0.000 1.095 249 F CA 1.623 59.662 58.000 0.064 0.000 1.249 249 F CB -0.023 38.937 39.000 -0.065 0.000 0.995 249 F HN -0.022 nan 8.300 nan 0.000 0.480 250 M N -0.427 119.192 119.600 0.033 0.000 2.492 250 M HA -0.151 4.332 4.480 0.005 0.000 0.262 250 M C 1.822 178.107 176.300 -0.024 0.000 1.090 250 M CA 1.019 56.290 55.300 -0.048 0.000 1.110 250 M CB -0.253 32.404 32.600 0.095 0.000 1.407 250 M HN 0.253 nan 8.290 nan 0.000 0.470 251 Q N 0.179 119.990 119.800 0.018 0.000 2.291 251 Q HA -0.069 4.274 4.340 0.005 0.000 0.205 251 Q C 0.530 176.510 176.000 -0.034 0.000 0.970 251 Q CA 0.560 56.368 55.803 0.008 0.000 0.876 251 Q CB 0.056 28.815 28.738 0.035 0.000 0.935 251 Q HN 0.367 nan 8.270 nan 0.000 0.455 252 D N -0.536 119.826 120.400 -0.064 0.000 2.371 252 D HA 0.070 4.713 4.640 0.005 0.000 0.256 252 D C 0.462 176.669 176.300 -0.154 0.000 1.193 252 D CA 0.003 53.913 54.000 -0.150 0.000 0.881 252 D CB 1.267 41.935 40.800 -0.219 0.000 1.143 252 D HN 0.179 nan 8.370 nan 0.000 0.473 253 A N 5.213 127.948 122.820 -0.141 0.000 2.076 253 A HA -0.204 4.119 4.320 0.005 0.000 0.220 253 A C 2.096 179.637 177.584 -0.072 0.000 1.160 253 A CA 1.119 53.100 52.037 -0.092 0.000 0.653 253 A CB -0.096 18.856 19.000 -0.079 0.000 0.801 253 A HN 0.672 nan 8.150 nan 0.000 0.455 254 R N -0.868 119.564 120.500 -0.113 0.000 2.092 254 R HA -0.063 4.280 4.340 0.005 0.000 0.231 254 R C 1.943 178.331 176.300 0.148 0.000 1.119 254 R CA 1.463 57.577 56.100 0.024 0.000 0.970 254 R CB -0.353 29.942 30.300 -0.009 0.000 0.864 254 R HN 0.426 nan 8.270 nan 0.000 0.440 255 V N 0.603 120.527 119.914 0.017 0.000 2.407 255 V HA -0.185 3.938 4.120 0.005 0.000 0.245 255 V C 2.247 178.324 176.094 -0.029 0.000 1.041 255 V CA 1.313 63.582 62.300 -0.052 0.000 1.040 255 V CB -0.452 31.076 31.823 -0.492 0.000 0.671 255 V HN 0.224 nan 8.190 nan 0.000 0.455 256 Q N 0.211 119.986 119.800 -0.041 0.000 2.096 256 Q HA -0.305 4.038 4.340 0.005 0.000 0.208 256 Q C 2.273 178.286 176.000 0.020 0.000 0.993 256 Q CA 2.350 58.148 55.803 -0.007 0.000 0.862 256 Q CB -0.508 28.219 28.738 -0.018 0.000 0.915 256 Q HN 0.712 nan 8.270 nan 0.000 0.416 257 Q N 0.183 120.000 119.800 0.029 0.000 2.084 257 Q HA -0.049 4.294 4.340 0.005 0.000 0.202 257 Q C 2.100 178.137 176.000 0.062 0.000 0.978 257 Q CA 1.201 57.029 55.803 0.042 0.000 0.844 257 Q CB -0.245 28.521 28.738 0.046 0.000 0.898 257 Q HN 0.408 nan 8.270 nan 0.000 0.426 258 L N -0.446 120.830 121.223 0.088 0.000 2.141 258 L HA -0.135 4.208 4.340 0.005 0.000 0.209 258 L C 2.212 179.130 176.870 0.079 0.000 1.094 258 L CA 0.701 55.601 54.840 0.099 0.000 0.763 258 L CB -0.356 41.789 42.059 0.142 0.000 0.908 258 L HN 0.269 nan 8.230 nan 0.000 0.437 259 L N -0.886 120.380 121.223 0.072 0.000 2.072 259 L HA -0.145 4.198 4.340 0.005 0.000 0.205 259 L C 2.834 179.738 176.870 0.057 0.000 1.079 259 L CA 1.083 55.968 54.840 0.075 0.000 0.752 259 L CB -0.469 41.641 42.059 0.084 0.000 0.906 259 L HN 0.161 nan 8.230 nan 0.000 0.436 260 R N 0.259 120.787 120.500 0.046 0.000 2.080 260 R HA -0.154 4.189 4.340 0.005 0.000 0.236 260 R C 1.356 177.678 176.300 0.037 0.000 1.137 260 R CA 1.580 57.702 56.100 0.036 0.000 0.943 260 R CB -0.464 29.854 30.300 0.029 0.000 0.846 260 R HN 0.369 nan 8.270 nan 0.000 0.431 261 D N 0.861 121.287 120.400 0.043 0.000 2.358 261 D HA -0.040 4.603 4.640 0.005 0.000 0.241 261 D C 0.023 176.352 176.300 0.049 0.000 1.094 261 D CA 0.316 54.342 54.000 0.043 0.000 0.907 261 D CB -0.216 40.612 40.800 0.047 0.000 0.893 261 D HN 0.213 nan 8.370 nan 0.000 0.528 262 N N -0.428 118.301 118.700 0.049 0.000 2.678 262 N HA -0.177 4.566 4.740 0.005 0.000 0.250 262 N C 1.255 176.806 175.510 0.067 0.000 1.136 262 N CA 0.471 53.549 53.050 0.047 0.000 0.757 262 N CB -1.519 36.986 38.487 0.030 0.000 1.135 262 N HN 0.223 nan 8.380 nan 0.000 0.565 263 V N 0.144 120.108 119.914 0.084 0.000 2.515 263 V HA -0.032 4.091 4.120 0.005 0.000 0.250 263 V C 1.481 177.641 176.094 0.110 0.000 1.058 263 V CA 1.922 64.292 62.300 0.117 0.000 1.064 263 V CB -0.424 31.474 31.823 0.125 0.000 0.675 263 V HN 0.530 nan 8.190 nan 0.000 0.461 264 I N -2.854 117.752 120.570 0.061 0.000 3.145 264 I HA 0.683 4.856 4.170 0.005 0.000 0.313 264 I C -0.471 175.698 176.117 0.088 0.000 1.122 264 I CA -1.248 60.069 61.300 0.029 0.000 0.987 264 I CB 2.356 40.299 38.000 -0.095 0.000 1.236 264 I HN -0.236 nan 8.210 nan 0.000 0.453 265 R N 1.209 121.782 120.500 0.123 0.000 2.621 265 R HA 0.288 4.631 4.340 0.005 0.000 0.292 265 R C -1.449 174.956 176.300 0.175 0.000 0.969 265 R CA -0.769 55.400 56.100 0.114 0.000 0.887 265 R CB 1.623 31.940 30.300 0.028 0.000 1.180 265 R HN 0.687 nan 8.270 nan 0.000 0.450 266 D N 4.188 124.663 120.400 0.125 0.000 2.359 266 D HA 0.123 4.766 4.640 0.005 0.000 0.250 266 D C -0.237 175.986 176.300 -0.129 0.000 1.264 266 D CA 0.068 54.056 54.000 -0.019 0.000 0.911 266 D CB 0.357 41.209 40.800 0.088 0.000 1.056 266 D HN 0.311 nan 8.370 nan 0.000 0.499 267 L N 2.298 123.364 121.223 -0.261 0.000 2.454 267 L HA 0.539 4.882 4.340 0.005 0.000 0.256 267 L C 1.718 178.357 176.870 -0.385 0.000 1.136 267 L CA -0.825 53.868 54.840 -0.246 0.000 0.804 267 L CB 0.815 42.749 42.059 -0.210 0.000 1.181 267 L HN 0.367 nan 8.230 nan 0.000 0.469 268 G N -0.891 107.694 108.800 -0.358 0.000 2.829 268 G HA2 0.145 4.108 3.960 0.005 0.000 0.173 268 G HA3 0.145 4.108 3.960 0.005 0.000 0.173 268 G C -0.276 174.157 174.900 -0.778 0.000 1.476 268 G CA -0.468 44.336 45.100 -0.493 0.000 1.072 268 G HN 0.596 nan 8.290 nan 0.000 0.577 269 Q N 0.737 120.230 119.800 -0.512 0.000 2.815 269 Q HA 0.169 4.512 4.340 0.005 0.000 0.235 269 Q C 0.622 176.484 176.000 -0.230 0.000 1.354 269 Q CA -0.031 55.574 55.803 -0.329 0.000 0.953 269 Q CB 0.312 28.966 28.738 -0.140 0.000 1.613 269 Q HN 0.486 nan 8.270 nan 0.000 0.572 270 S N -1.479 114.071 115.700 -0.250 0.000 2.603 270 S HA 0.186 4.659 4.470 0.005 0.000 0.232 270 S C 0.922 175.431 174.600 -0.151 0.000 1.016 270 S CA -0.263 57.832 58.200 -0.175 0.000 0.976 270 S CB 0.761 63.859 63.200 -0.169 0.000 0.921 270 S HN 0.450 nan 8.310 nan 0.000 0.516 271 G N 1.556 110.254 108.800 -0.169 0.000 2.611 271 G HA2 0.421 4.384 3.960 0.005 0.000 0.273 271 G HA3 0.421 4.384 3.960 0.005 0.000 0.273 271 G C -0.209 174.598 174.900 -0.155 0.000 1.305 271 G CA -1.034 43.975 45.100 -0.151 0.000 1.010 271 G HN 0.370 nan 8.290 nan 0.000 0.509 272 R N -1.463 118.937 120.500 -0.168 0.000 2.698 272 R HA 0.141 4.484 4.340 0.005 0.000 0.266 272 R C -0.280 175.917 176.300 -0.171 0.000 1.026 272 R CA -0.297 55.696 56.100 -0.178 0.000 1.102 272 R CB 0.618 30.776 30.300 -0.237 0.000 0.978 272 R HN 0.153 nan 8.270 nan 0.000 0.436 273 V N 2.979 122.825 119.914 -0.115 0.000 2.439 273 V HA 0.331 4.454 4.120 0.005 0.000 0.271 273 V C 0.407 176.502 176.094 0.002 0.000 1.040 273 V CA 0.110 62.378 62.300 -0.053 0.000 1.002 273 V CB 0.707 32.520 31.823 -0.017 0.000 1.000 273 V HN 0.898 nan 8.190 nan 0.000 0.477 274 A N 4.355 127.231 122.820 0.094 0.000 2.479 274 A HA 0.883 5.206 4.320 0.005 0.000 0.296 274 A C -0.406 177.557 177.584 0.631 0.000 1.121 274 A CA -0.624 51.602 52.037 0.315 0.000 0.743 274 A CB 1.995 21.176 19.000 0.302 0.000 1.323 274 A HN 0.622 nan 8.150 nan 0.000 0.415 275 S N 1.968 118.015 115.700 0.578 0.000 2.478 275 S HA 0.649 5.122 4.470 0.005 0.000 0.312 275 S C -2.841 171.875 174.600 0.194 0.000 1.094 275 S CA -1.033 57.400 58.200 0.387 0.000 1.081 275 S CB 1.392 64.775 63.200 0.306 0.000 1.007 275 S HN 0.509 nan 8.310 nan 0.000 0.475 276 P HA 0.210 nan 4.420 nan 0.000 0.275 276 P C 0.304 177.512 177.300 -0.153 0.000 1.227 276 P CA -0.347 62.432 63.100 -0.535 0.000 0.781 276 P CB 0.349 31.585 31.700 -0.773 0.000 0.906 277 T N -1.088 113.416 114.554 -0.083 0.000 2.770 277 T HA 0.405 4.758 4.350 0.005 0.000 0.281 277 T C 1.482 176.132 174.700 -0.083 0.000 0.981 277 T CA -0.067 61.999 62.100 -0.056 0.000 0.955 277 T CB 0.130 69.004 68.868 0.010 0.000 1.060 277 T HN 0.277 nan 8.240 nan 0.000 0.531 278 A N 0.618 123.376 122.820 -0.103 0.000 2.076 278 A HA -0.041 4.282 4.320 0.005 0.000 0.220 278 A C 2.500 180.054 177.584 -0.050 0.000 1.160 278 A CA 1.946 53.931 52.037 -0.087 0.000 0.653 278 A CB -1.477 17.450 19.000 -0.121 0.000 0.801 278 A HN 1.143 nan 8.150 nan 0.000 0.455 279 S N -1.393 114.283 115.700 -0.041 0.000 2.561 279 S HA 0.104 4.577 4.470 0.005 0.000 0.225 279 S C 1.169 175.760 174.600 -0.015 0.000 0.977 279 S CA 0.791 58.979 58.200 -0.020 0.000 0.926 279 S CB -0.621 62.574 63.200 -0.009 0.000 0.769 279 S HN 0.795 nan 8.310 nan 0.000 0.533 280 I N -0.054 120.501 120.570 -0.026 0.000 4.327 280 I HA -0.426 3.747 4.170 0.005 0.000 0.074 280 I C 1.822 177.937 176.117 -0.003 0.000 0.569 280 I CA 2.002 63.307 61.300 0.009 0.000 1.123 280 I CB -1.093 36.949 38.000 0.070 0.000 1.000 280 I HN 0.541 nan 8.210 nan 0.000 0.171 281 R N 1.153 121.682 120.500 0.048 0.000 2.300 281 R HA 0.200 4.543 4.340 0.005 0.000 0.199 281 R C 0.086 176.500 176.300 0.189 0.000 0.920 281 R CA 0.808 57.020 56.100 0.185 0.000 1.046 281 R CB -0.038 30.355 30.300 0.154 0.000 0.984 281 R HN 0.289 nan 8.270 nan 0.000 0.493 282 T N 1.398 115.992 114.554 0.066 0.000 2.767 282 T HA 0.288 4.641 4.350 0.005 0.000 0.284 282 T C -1.264 173.531 174.700 0.158 0.000 0.973 282 T CA -0.421 61.785 62.100 0.177 0.000 0.996 282 T CB 0.765 69.687 68.868 0.090 0.000 0.927 282 T HN 0.171 nan 8.240 nan 0.000 0.456 283 W N 2.409 123.890 121.300 0.302 0.000 2.570 283 W HA 0.666 5.329 4.660 0.005 0.000 0.337 283 W C -0.515 176.269 176.519 0.441 0.000 1.067 283 W CA -1.175 56.355 57.345 0.309 0.000 1.229 283 W CB 0.932 30.507 29.460 0.192 0.000 1.355 283 W HN 0.580 nan 8.180 nan 0.000 0.555 284 F N 3.450 123.659 119.950 0.431 0.000 2.482 284 F HA 0.673 5.203 4.527 0.005 0.000 0.331 284 F C -1.028 174.849 175.800 0.128 0.000 1.115 284 F CA -1.114 57.007 58.000 0.203 0.000 0.955 284 F CB 0.685 39.835 39.000 0.250 0.000 1.136 284 F HN 0.090 nan 8.300 nan 0.000 0.452 285 I N 5.026 125.235 120.570 -0.603 0.000 2.420 285 I HA 0.182 4.355 4.170 0.005 0.000 0.282 285 I C -0.702 174.936 176.117 -0.799 0.000 1.019 285 I CA -0.544 60.479 61.300 -0.462 0.000 1.130 285 I CB 1.259 39.098 38.000 -0.269 0.000 1.262 285 I HN 0.520 nan 8.210 nan 0.000 0.454 286 D N 4.705 124.748 120.400 -0.596 0.000 2.586 286 D HA -0.026 4.617 4.640 0.005 0.000 0.234 286 D C -0.038 176.119 176.300 -0.239 0.000 1.132 286 D CA 1.248 55.044 54.000 -0.340 0.000 0.860 286 D CB 0.290 41.116 40.800 0.044 0.000 1.159 286 D HN 0.570 nan 8.370 nan 0.000 0.490 287 D N 0.982 121.249 120.400 -0.221 0.000 2.716 287 D HA -0.249 4.394 4.640 0.005 0.000 0.239 287 D C -1.224 175.003 176.300 -0.121 0.000 1.125 287 D CA 0.962 54.877 54.000 -0.142 0.000 0.681 287 D CB -0.996 39.763 40.800 -0.069 0.000 1.070 287 D HN 0.539 nan 8.370 nan 0.000 0.432 288 H N -0.860 118.004 119.070 -0.343 0.000 2.851 288 H HA 0.373 4.932 4.556 0.005 0.000 0.372 288 H C 0.299 175.376 175.328 -0.418 0.000 1.158 288 H CA -0.839 55.024 56.048 -0.308 0.000 1.159 288 H CB 1.299 30.892 29.762 -0.281 0.000 1.757 288 H HN -0.225 nan 8.280 nan 0.000 0.546 289 D N 2.164 122.011 120.400 -0.922 0.000 2.350 289 D HA -0.064 4.579 4.640 0.005 0.000 0.216 289 D C -0.345 175.159 176.300 -1.327 0.000 0.968 289 D CA 1.240 54.581 54.000 -1.098 0.000 0.894 289 D CB 0.227 40.277 40.800 -1.251 0.000 0.909 289 D HN 0.341 nan 8.370 nan 0.000 0.520 290 Y N -1.328 118.598 120.300 -0.623 0.000 2.512 290 Y HA 0.366 4.918 4.550 0.005 0.000 0.348 290 Y C -0.034 175.706 175.900 -0.266 0.000 0.990 290 Y CA -1.342 56.539 58.100 -0.365 0.000 1.033 290 Y CB 0.903 39.173 38.460 -0.316 0.000 1.259 290 Y HN -0.343 nan 8.280 nan 0.000 0.461 291 F N 2.051 122.017 119.950 0.025 0.000 2.450 291 F HA 0.376 4.906 4.527 0.005 0.000 0.339 291 F C 0.116 175.971 175.800 0.092 0.000 1.146 291 F CA -0.085 57.963 58.000 0.080 0.000 1.267 291 F CB 0.447 39.483 39.000 0.060 0.000 1.178 291 F HN 0.203 nan 8.300 nan 0.000 0.585 292 I N 2.895 123.694 120.570 0.381 0.000 2.382 292 I HA 0.251 4.424 4.170 0.005 0.000 0.286 292 I C -0.358 176.023 176.117 0.440 0.000 1.002 292 I CA -0.575 60.917 61.300 0.319 0.000 1.135 292 I CB 1.358 39.523 38.000 0.275 0.000 1.288 292 I HN 0.450 nan 8.210 nan 0.000 0.448 293 K N 4.562 125.180 120.400 0.364 0.000 2.182 293 K HA 0.777 5.100 4.320 0.005 0.000 0.262 293 K C -0.358 176.428 176.600 0.310 0.000 0.957 293 K CA -0.461 56.010 56.287 0.306 0.000 0.842 293 K CB 1.900 34.513 32.500 0.187 0.000 1.099 293 K HN 0.794 nan 8.250 nan 0.000 0.438 294 G N 0.793 109.760 108.800 0.279 0.000 2.694 294 G HA2 0.281 4.244 3.960 0.005 0.000 0.290 294 G HA3 0.281 4.244 3.960 0.005 0.000 0.290 294 G C -1.202 173.771 174.900 0.121 0.000 1.386 294 G CA -0.602 44.612 45.100 0.190 0.000 0.872 294 G HN 0.518 nan 8.290 nan 0.000 0.475 295 S N -0.795 114.923 115.700 0.030 0.000 2.549 295 S HA 0.396 4.869 4.470 0.005 0.000 0.283 295 S C -0.508 174.085 174.600 -0.011 0.000 1.320 295 S CA 0.013 58.200 58.200 -0.023 0.000 1.058 295 S CB 1.038 64.176 63.200 -0.103 0.000 0.882 295 S HN 0.555 nan 8.310 nan 0.000 0.498 296 L N 3.982 125.181 121.223 -0.040 0.000 2.457 296 L HA 0.418 4.761 4.340 0.005 0.000 0.266 296 L C -0.377 176.433 176.870 -0.099 0.000 0.979 296 L CA -0.343 54.444 54.840 -0.089 0.000 0.857 296 L CB 1.283 43.260 42.059 -0.137 0.000 1.213 296 L HN 0.561 nan 8.230 nan 0.000 0.418 297 N N 3.839 122.491 118.700 -0.080 0.000 3.210 297 N HA 0.234 4.977 4.740 0.005 0.000 0.314 297 N C -1.429 174.042 175.510 -0.064 0.000 1.291 297 N CA 0.222 53.239 53.050 -0.054 0.000 1.202 297 N CB -0.225 38.253 38.487 -0.015 0.000 1.475 297 N HN 0.309 nan 8.380 nan 0.000 0.554 298 V N 0.987 120.826 119.914 -0.125 0.000 2.760 298 V HA 0.375 4.498 4.120 0.005 0.000 0.309 298 V C 0.207 176.173 176.094 -0.213 0.000 1.077 298 V CA -1.124 61.059 62.300 -0.196 0.000 0.910 298 V CB 2.075 33.688 31.823 -0.350 0.000 1.008 298 V HN 0.269 nan 8.190 nan 0.000 0.424 299 R N 3.750 124.134 120.500 -0.192 0.000 2.347 299 R HA 0.584 4.927 4.340 0.005 0.000 0.304 299 R C -1.324 174.843 176.300 -0.222 0.000 1.072 299 R CA 0.025 56.031 56.100 -0.157 0.000 0.980 299 R CB 0.320 30.559 30.300 -0.102 0.000 0.986 299 R HN 0.703 nan 8.270 nan 0.000 0.448 300 I N 4.051 124.517 120.570 -0.173 0.000 2.534 300 I HA 0.039 4.212 4.170 0.005 0.000 0.286 300 I C 0.284 176.341 176.117 -0.100 0.000 1.094 300 I CA -0.439 60.754 61.300 -0.178 0.000 1.055 300 I CB 2.218 40.095 38.000 -0.205 0.000 1.225 300 I HN 0.944 nan 8.210 nan 0.000 0.435 301 T N 2.216 116.714 114.554 -0.093 0.000 3.852 301 T HA -0.295 4.058 4.350 0.005 0.000 0.361 301 T C 0.772 175.514 174.700 0.069 0.000 0.759 301 T CA 1.554 63.635 62.100 -0.033 0.000 1.899 301 T CB -1.313 67.480 68.868 -0.125 0.000 1.822 301 T HN 0.991 nan 8.240 nan 0.000 0.778 302 N N -2.327 116.385 118.700 0.020 0.000 2.886 302 N HA -0.184 4.559 4.740 0.005 0.000 0.204 302 N C 0.396 175.898 175.510 -0.015 0.000 0.998 302 N CA 1.442 54.495 53.050 0.005 0.000 1.114 302 N CB -1.816 36.678 38.487 0.011 0.000 0.964 302 N HN 0.956 nan 8.380 nan 0.000 0.581 303 C N 0.905 120.196 119.300 -0.016 0.000 2.652 303 C HA 0.442 4.905 4.460 0.005 0.000 0.412 303 C C 1.105 176.068 174.990 -0.044 0.000 1.294 303 C CA -0.636 58.370 59.018 -0.020 0.000 2.127 303 C CB 0.345 28.079 27.740 -0.009 0.000 2.691 303 C HN 0.184 nan 8.230 nan 0.000 0.615 304 V N 5.346 125.238 119.914 -0.037 0.000 2.546 304 V HA 0.248 4.371 4.120 0.005 0.000 0.284 304 V C 0.769 176.834 176.094 -0.048 0.000 1.050 304 V CA -0.090 62.178 62.300 -0.054 0.000 0.981 304 V CB 1.067 32.869 31.823 -0.036 0.000 0.990 304 V HN 0.681 nan 8.190 nan 0.000 0.474 305 R N 3.624 124.084 120.500 -0.067 0.000 4.141 305 R HA 0.287 4.630 4.340 0.005 0.000 0.281 305 R C 0.128 176.401 176.300 -0.046 0.000 1.608 305 R CA -0.122 55.948 56.100 -0.050 0.000 1.426 305 R CB -0.496 29.769 30.300 -0.059 0.000 1.432 305 R HN 0.583 nan 8.270 nan 0.000 0.708 306 K N 1.508 121.878 120.400 -0.049 0.000 2.126 306 K HA 0.184 4.507 4.320 0.005 0.000 0.257 306 K C -0.028 176.529 176.600 -0.071 0.000 1.007 306 K CA -0.484 55.764 56.287 -0.065 0.000 0.928 306 K CB 0.721 33.183 32.500 -0.063 0.000 1.013 306 K HN 0.144 nan 8.250 nan 0.000 0.473 307 N N 0.676 119.316 118.700 -0.099 0.000 2.448 307 N HA 0.309 5.052 4.740 0.005 0.000 0.279 307 N C -0.921 174.459 175.510 -0.216 0.000 1.025 307 N CA -0.743 52.226 53.050 -0.134 0.000 0.898 307 N CB 1.689 40.122 38.487 -0.091 0.000 1.303 307 N HN 0.532 nan 8.380 nan 0.000 0.495 308 A N 1.773 124.378 122.820 -0.358 0.000 2.409 308 A HA 0.163 4.486 4.320 0.005 0.000 0.246 308 A C 1.300 178.515 177.584 -0.614 0.000 1.099 308 A CA -0.566 51.128 52.037 -0.570 0.000 0.789 308 A CB -0.004 18.337 19.000 -1.097 0.000 1.053 308 A HN 0.918 nan 8.150 nan 0.000 0.503 309 W N 0.672 121.614 121.300 -0.597 0.000 2.333 309 W HA -0.318 4.346 4.660 0.005 0.000 0.316 309 W C 1.546 177.842 176.519 -0.372 0.000 1.215 309 W CA 2.076 59.168 57.345 -0.423 0.000 1.278 309 W CB -1.440 27.774 29.460 -0.410 0.000 1.154 309 W HN 0.885 nan 8.180 nan 0.000 0.486 310 Y N 0.492 119.891 120.300 -1.501 0.000 2.352 310 Y HA 0.041 4.594 4.550 0.005 0.000 0.292 310 Y C 2.257 177.791 175.900 -0.610 0.000 1.136 310 Y CA 1.657 58.866 58.100 -1.484 0.000 1.227 310 Y CB -1.289 36.126 38.460 -1.743 0.000 0.991 310 Y HN 0.064 nan 8.280 nan 0.000 0.545 311 E N 0.489 120.312 120.200 -0.628 0.000 2.072 311 E HA -0.106 4.247 4.350 0.005 0.000 0.190 311 E C 1.936 178.439 176.600 -0.161 0.000 0.982 311 E CA 0.870 57.110 56.400 -0.267 0.000 0.803 311 E CB -0.167 29.351 29.700 -0.304 0.000 0.755 311 E HN 0.334 nan 8.360 nan 0.000 0.453 312 L N 1.689 122.801 121.223 -0.184 0.000 2.013 312 L HA -0.259 4.084 4.340 0.005 0.000 0.212 312 L C 2.170 179.030 176.870 -0.017 0.000 1.073 312 L CA 1.744 56.544 54.840 -0.066 0.000 0.753 312 L CB -0.365 41.666 42.059 -0.047 0.000 0.890 312 L HN 0.127 nan 8.230 nan 0.000 0.432 313 E N -1.068 119.106 120.200 -0.043 0.000 2.047 313 E HA -0.196 4.157 4.350 0.005 0.000 0.191 313 E C 2.311 178.916 176.600 0.009 0.000 0.987 313 E CA 1.498 57.901 56.400 0.006 0.000 0.799 313 E CB -0.375 29.317 29.700 -0.013 0.000 0.752 313 E HN 0.630 nan 8.360 nan 0.000 0.449 314 S N 0.924 116.608 115.700 -0.026 0.000 2.370 314 S HA -0.189 4.284 4.470 0.005 0.000 0.226 314 S C 2.157 176.781 174.600 0.041 0.000 1.033 314 S CA 1.913 60.115 58.200 0.004 0.000 1.011 314 S CB -0.757 62.439 63.200 -0.006 0.000 0.852 314 S HN 0.123 nan 8.310 nan 0.000 0.457 315 T N 2.594 117.184 114.554 0.060 0.000 2.620 315 T HA -0.166 4.187 4.350 0.005 0.000 0.267 315 T C 1.872 176.664 174.700 0.153 0.000 1.044 315 T CA 2.113 64.292 62.100 0.132 0.000 1.161 315 T CB -1.016 67.922 68.868 0.116 0.000 0.862 315 T HN 0.394 nan 8.240 nan 0.000 0.438 316 V N 1.407 121.388 119.914 0.112 0.000 2.287 316 V HA -0.172 3.951 4.120 0.005 0.000 0.248 316 V C 2.510 178.659 176.094 0.092 0.000 1.053 316 V CA 1.724 64.090 62.300 0.109 0.000 1.027 316 V CB -0.898 30.981 31.823 0.093 0.000 0.646 316 V HN 0.424 nan 8.190 nan 0.000 0.447 317 L N -1.011 120.252 121.223 0.067 0.000 2.093 317 L HA -0.145 4.198 4.340 0.005 0.000 0.208 317 L C 2.407 179.287 176.870 0.016 0.000 1.085 317 L CA 1.224 56.091 54.840 0.045 0.000 0.755 317 L CB -0.521 41.561 42.059 0.039 0.000 0.904 317 L HN 0.233 nan 8.230 nan 0.000 0.435 318 I N 0.139 120.702 120.570 -0.011 0.000 2.202 318 I HA -0.278 3.895 4.170 0.005 0.000 0.242 318 I C 2.211 178.220 176.117 -0.179 0.000 1.091 318 I CA 1.503 62.730 61.300 -0.122 0.000 1.368 318 I CB -0.519 37.336 38.000 -0.241 0.000 1.058 318 I HN 0.232 nan 8.210 nan 0.000 0.410 319 D N 0.206 120.573 120.400 -0.054 0.000 2.116 319 D HA -0.246 4.397 4.640 0.005 0.000 0.193 319 D C 2.425 178.820 176.300 0.158 0.000 0.998 319 D CA 1.468 55.599 54.000 0.218 0.000 0.836 319 D CB -0.005 41.029 40.800 0.391 0.000 0.951 319 D HN 0.102 nan 8.370 nan 0.000 0.449 320 R N -0.883 119.677 120.500 0.100 0.000 2.115 320 R HA -0.060 4.283 4.340 0.005 0.000 0.230 320 R C 2.167 178.483 176.300 0.026 0.000 1.111 320 R CA 0.685 56.828 56.100 0.071 0.000 0.976 320 R CB -0.277 30.059 30.300 0.061 0.000 0.870 320 R HN 0.244 nan 8.270 nan 0.000 0.445 321 L N -0.057 121.156 121.223 -0.017 0.000 2.017 321 L HA -0.106 4.237 4.340 0.005 0.000 0.208 321 L C 1.610 178.364 176.870 -0.194 0.000 1.073 321 L CA 1.764 56.516 54.840 -0.147 0.000 0.745 321 L CB -0.610 41.312 42.059 -0.229 0.000 0.894 321 L HN 0.073 nan 8.230 nan 0.000 0.432 322 F N -0.171 119.636 119.950 -0.238 0.000 2.134 322 F HA -0.189 4.341 4.527 0.005 0.000 0.299 322 F C 2.728 178.480 175.800 -0.081 0.000 1.097 322 F CA 1.565 59.454 58.000 -0.185 0.000 1.264 322 F CB -0.307 38.587 39.000 -0.177 0.000 1.001 322 F HN 0.021 nan 8.300 nan 0.000 0.479 323 R N 0.141 120.727 120.500 0.144 0.000 2.083 323 R HA -0.215 4.128 4.340 0.005 0.000 0.237 323 R C 2.210 178.524 176.300 0.023 0.000 1.137 323 R CA 1.882 58.034 56.100 0.088 0.000 0.951 323 R CB -0.378 29.975 30.300 0.089 0.000 0.851 323 R HN 0.400 nan 8.270 nan 0.000 0.434 324 Q N 0.146 119.938 119.800 -0.014 0.000 2.061 324 Q HA -0.198 4.145 4.340 0.005 0.000 0.204 324 Q C 2.247 178.236 176.000 -0.019 0.000 0.984 324 Q CA 1.609 57.399 55.803 -0.021 0.000 0.846 324 Q CB -0.209 28.509 28.738 -0.034 0.000 0.902 324 Q HN 0.344 nan 8.270 nan 0.000 0.421 325 L N 0.265 121.413 121.223 -0.125 0.000 2.017 325 L HA -0.206 4.137 4.340 0.005 0.000 0.208 325 L C 2.374 179.202 176.870 -0.069 0.000 1.073 325 L CA 0.979 55.724 54.840 -0.159 0.000 0.745 325 L CB -0.501 41.250 42.059 -0.514 0.000 0.894 325 L HN 0.235 nan 8.230 nan 0.000 0.432 326 L N -0.455 120.736 121.223 -0.054 0.000 2.127 326 L HA -0.254 4.089 4.340 0.005 0.000 0.211 326 L C 2.011 178.881 176.870 -0.001 0.000 1.089 326 L CA 1.151 55.989 54.840 -0.002 0.000 0.757 326 L CB -0.594 41.493 42.059 0.046 0.000 0.899 326 L HN 0.301 nan 8.230 nan 0.000 0.434 327 D N -0.386 120.010 120.400 -0.007 0.000 2.092 327 D HA -0.155 4.488 4.640 0.005 0.000 0.203 327 D C 2.210 178.475 176.300 -0.059 0.000 0.978 327 D CA 1.116 55.103 54.000 -0.021 0.000 0.861 327 D CB -0.124 40.666 40.800 -0.016 0.000 1.005 327 D HN 0.178 nan 8.370 nan 0.000 0.450 328 Q N -1.062 118.673 119.800 -0.108 0.000 2.435 328 Q HA 0.047 4.390 4.340 0.005 0.000 0.207 328 Q C 0.372 176.086 176.000 -0.477 0.000 0.956 328 Q CA 0.879 56.511 55.803 -0.285 0.000 0.917 328 Q CB 0.236 28.757 28.738 -0.362 0.000 0.997 328 Q HN 0.454 nan 8.270 nan 0.000 0.497 329 H N -2.091 116.961 119.070 -0.031 0.000 2.750 329 H HA 0.414 4.973 4.556 0.005 0.000 0.252 329 H C 0.968 176.286 175.328 -0.016 0.000 1.176 329 H CA 0.182 56.227 56.048 -0.007 0.000 0.987 329 H CB 0.679 30.419 29.762 -0.038 0.000 1.810 329 H HN 0.200 nan 8.280 nan 0.000 0.630 330 A N 0.537 123.384 122.820 0.045 0.000 1.948 330 A HA -0.236 4.087 4.320 0.005 0.000 0.220 330 A C 1.743 179.357 177.584 0.049 0.000 1.177 330 A CA 2.063 54.119 52.037 0.031 0.000 0.636 330 A CB -0.207 18.799 19.000 0.011 0.000 0.815 330 A HN 0.299 nan 8.150 nan 0.000 0.449 331 D N -0.934 119.500 120.400 0.058 0.000 2.384 331 D HA -0.051 4.592 4.640 0.005 0.000 0.222 331 D C 1.408 177.759 176.300 0.085 0.000 0.976 331 D CA 1.586 55.621 54.000 0.058 0.000 0.915 331 D CB -0.062 40.768 40.800 0.049 0.000 0.896 331 D HN 0.658 nan 8.370 nan 0.000 0.523 332 T N -3.540 111.094 114.554 0.133 0.000 3.209 332 T HA 0.219 4.572 4.350 0.005 0.000 0.295 332 T C 1.209 176.019 174.700 0.184 0.000 0.977 332 T CA -0.294 61.910 62.100 0.173 0.000 0.922 332 T CB -0.300 68.716 68.868 0.246 0.000 1.152 332 T HN 0.012 nan 8.240 nan 0.000 0.527 333 L N 1.249 122.534 121.223 0.103 0.000 2.700 333 L HA 0.437 4.780 4.340 0.005 0.000 0.234 333 L C 1.738 178.640 176.870 0.054 0.000 1.156 333 L CA 0.035 54.909 54.840 0.056 0.000 0.946 333 L CB -0.447 41.605 42.059 -0.011 0.000 1.216 333 L HN 0.559 nan 8.230 nan 0.000 0.493 334 G N 0.856 109.691 108.800 0.058 0.000 2.321 334 G HA2 -0.272 3.691 3.960 0.005 0.000 0.287 334 G HA3 -0.272 3.691 3.960 0.005 0.000 0.287 334 G C 0.974 175.882 174.900 0.013 0.000 1.018 334 G CA 0.523 45.647 45.100 0.039 0.000 0.855 334 G HN 0.732 nan 8.290 nan 0.000 0.507 335 G N -2.029 106.778 108.800 0.011 0.000 2.182 335 G HA2 -0.002 3.961 3.960 0.005 0.000 0.248 335 G HA3 -0.002 3.961 3.960 0.005 0.000 0.248 335 G C 0.422 175.319 174.900 -0.005 0.000 1.042 335 G CA 0.431 45.529 45.100 -0.004 0.000 0.775 335 G HN 1.820 nan 8.290 nan 0.000 0.501 336 L N 0.437 121.668 121.223 0.014 0.000 2.540 336 L HA 0.476 4.819 4.340 0.005 0.000 0.276 336 L C 0.353 177.244 176.870 0.034 0.000 1.212 336 L CA 0.352 55.212 54.840 0.033 0.000 0.893 336 L CB 1.038 43.136 42.059 0.066 0.000 1.138 336 L HN 0.223 nan 8.230 nan 0.000 0.491 337 V N 5.440 125.367 119.914 0.022 0.000 2.483 337 V HA 0.853 4.976 4.120 0.005 0.000 0.297 337 V C -0.052 176.059 176.094 0.027 0.000 1.027 337 V CA -0.205 62.105 62.300 0.017 0.000 0.855 337 V CB 1.061 32.867 31.823 -0.028 0.000 0.995 337 V HN 1.018 nan 8.190 nan 0.000 0.424 338 A N 3.534 126.394 122.820 0.065 0.000 2.435 338 A HA 0.950 5.273 4.320 0.005 0.000 0.304 338 A C -0.163 177.440 177.584 0.031 0.000 1.064 338 A CA -0.408 51.663 52.037 0.058 0.000 0.727 338 A CB 1.761 20.846 19.000 0.141 0.000 1.284 338 A HN 1.400 nan 8.150 nan 0.000 0.415 339 A N 1.335 124.139 122.820 -0.027 0.000 2.302 339 A HA 0.629 4.952 4.320 0.005 0.000 0.295 339 A C 0.708 178.158 177.584 -0.224 0.000 1.235 339 A CA 0.279 52.317 52.037 0.001 0.000 0.876 339 A CB -0.297 18.805 19.000 0.170 0.000 1.133 339 A HN 2.185 nan 8.150 nan 0.000 0.533 340 A N 3.002 125.773 122.820 -0.082 0.000 2.462 340 A HA 0.436 4.759 4.320 0.005 0.000 0.243 340 A C 0.292 177.760 177.584 -0.194 0.000 1.076 340 A CA -0.074 51.918 52.037 -0.075 0.000 0.773 340 A CB 0.019 19.064 19.000 0.076 0.000 1.010 340 A HN 0.789 nan 8.150 nan 0.000 0.493 341 E N 3.021 123.086 120.200 -0.226 0.000 2.969 341 E HA 0.170 4.523 4.350 0.005 0.000 0.213 341 E C -2.103 174.529 176.600 0.054 0.000 1.107 341 E CA -1.463 54.849 56.400 -0.146 0.000 1.007 341 E CB 1.011 30.527 29.700 -0.306 0.000 1.326 341 E HN 0.552 nan 8.360 nan 0.000 0.432 342 P HA 0.037 nan 4.420 nan 0.000 0.245 342 P C 0.368 177.690 177.300 0.035 0.000 1.206 342 P CA 0.325 63.471 63.100 0.077 0.000 0.781 342 P CB 0.707 32.462 31.700 0.091 0.000 0.994 343 G N -0.637 108.154 108.800 -0.015 0.000 2.638 343 G HA2 0.538 4.501 3.960 0.005 0.000 0.302 343 G HA3 0.538 4.501 3.960 0.005 0.000 0.302 343 G C -1.813 173.151 174.900 0.107 0.000 1.365 343 G CA -0.287 44.814 45.100 0.001 0.000 0.987 343 G HN -0.115 nan 8.290 nan 0.000 0.495 344 V N 1.269 121.282 119.914 0.166 0.000 2.760 344 V HA 0.734 4.857 4.120 0.005 0.000 0.309 344 V C -0.700 175.489 176.094 0.159 0.000 1.077 344 V CA -0.831 61.584 62.300 0.191 0.000 0.910 344 V CB 1.700 33.597 31.823 0.122 0.000 1.008 344 V HN 0.729 nan 8.190 nan 0.000 0.424 345 V N 4.021 123.971 119.914 0.061 0.000 2.876 345 V HA 0.991 5.114 4.120 0.005 0.000 0.312 345 V C -0.541 175.508 176.094 -0.075 0.000 1.085 345 V CA 0.185 62.456 62.300 -0.049 0.000 0.945 345 V CB 2.587 34.283 31.823 -0.212 0.000 1.017 345 V HN 1.217 nan 8.190 nan 0.000 0.428 346 S N 4.320 120.036 115.700 0.027 0.000 2.565 346 S HA 0.699 5.172 4.470 0.005 0.000 0.269 346 S C -1.698 173.032 174.600 0.217 0.000 1.153 346 S CA -0.725 57.513 58.200 0.064 0.000 0.835 346 S CB 1.518 64.742 63.200 0.039 0.000 1.122 346 S HN 1.188 nan 8.310 nan 0.000 0.462 347 W N 1.783 123.098 121.300 0.025 0.000 2.950 347 W HA 0.768 5.431 4.660 0.005 0.000 0.340 347 W C -0.972 175.603 176.519 0.093 0.000 1.139 347 W CA 0.151 57.527 57.345 0.051 0.000 1.188 347 W CB 2.129 31.569 29.460 -0.034 0.000 1.426 347 W HN 1.343 nan 8.180 nan 0.000 0.531 348 S N 3.546 118.574 115.700 -1.120 0.000 2.543 348 S HA 0.577 5.050 4.470 0.005 0.000 0.274 348 S C -3.145 170.373 174.600 -1.803 0.000 1.149 348 S CA -1.460 56.032 58.200 -1.180 0.000 0.866 348 S CB 1.904 64.904 63.200 -0.333 0.000 1.111 348 S HN 0.194 nan 8.310 nan 0.000 0.457 349 P HA 0.257 nan 4.420 nan 0.000 0.266 349 P C 0.881 177.900 177.300 -0.467 0.000 1.195 349 P CA 0.109 62.716 63.100 -0.821 0.000 0.768 349 P CB 0.362 31.785 31.700 -0.461 0.000 0.838 350 A N 3.795 126.438 122.820 -0.295 0.000 1.940 350 A HA -0.125 4.198 4.320 0.005 0.000 0.219 350 A C 1.761 179.261 177.584 -0.140 0.000 1.176 350 A CA 2.133 54.051 52.037 -0.198 0.000 0.631 350 A CB -1.250 17.677 19.000 -0.121 0.000 0.814 350 A HN 0.553 nan 8.150 nan 0.000 0.446 351 A N -1.296 121.454 122.820 -0.117 0.000 2.545 351 A HA 0.647 4.970 4.320 0.005 0.000 0.277 351 A C 1.790 179.328 177.584 -0.077 0.000 1.301 351 A CA 0.911 52.901 52.037 -0.078 0.000 0.935 351 A CB -0.570 18.399 19.000 -0.051 0.000 1.093 351 A HN 0.850 nan 8.150 nan 0.000 0.519 352 A N 0.069 122.824 122.820 -0.108 0.000 1.917 352 A HA 0.349 4.672 4.320 0.005 0.000 0.219 352 A C 1.633 179.194 177.584 -0.039 0.000 1.182 352 A CA 1.509 53.501 52.037 -0.075 0.000 0.633 352 A CB -0.895 18.045 19.000 -0.100 0.000 0.819 352 A HN 2.187 nan 8.150 nan 0.000 0.448 353 G N -1.476 107.287 108.800 -0.062 0.000 2.895 353 G HA2 -0.124 3.839 3.960 0.005 0.000 0.686 353 G HA3 -0.124 3.839 3.960 0.005 0.000 0.686 353 G C 0.166 174.998 174.900 -0.113 0.000 1.108 353 G CA 0.303 45.360 45.100 -0.071 0.000 0.761 353 G HN 0.394 nan 8.290 nan 0.000 0.611 354 E N 0.456 120.554 120.200 -0.170 0.000 2.108 354 E HA -0.230 4.123 4.350 0.005 0.000 0.203 354 E C 2.415 178.688 176.600 -0.546 0.000 1.022 354 E CA 2.005 58.203 56.400 -0.336 0.000 0.823 354 E CB -0.034 29.483 29.700 -0.304 0.000 0.744 354 E HN 0.602 nan 8.360 nan 0.000 0.456 355 L N 0.359 121.386 121.223 -0.326 0.000 2.341 355 L HA -0.072 4.271 4.340 0.005 0.000 0.214 355 L C 1.952 178.807 176.870 -0.024 0.000 1.115 355 L CA 0.409 55.106 54.840 -0.239 0.000 0.820 355 L CB 0.008 42.003 42.059 -0.106 0.000 0.944 355 L HN -0.015 nan 8.230 nan 0.000 0.452 356 D N -0.974 119.439 120.400 0.022 0.000 2.162 356 D HA -0.129 4.514 4.640 0.005 0.000 0.203 356 D C 2.355 178.873 176.300 0.364 0.000 0.967 356 D CA 1.008 55.130 54.000 0.204 0.000 0.840 356 D CB 0.121 41.042 40.800 0.202 0.000 0.972 356 D HN 0.040 nan 8.370 nan 0.000 0.482 357 S N -0.491 115.295 115.700 0.143 0.000 2.359 357 S HA -0.187 4.286 4.470 0.005 0.000 0.224 357 S C 1.755 176.464 174.600 0.183 0.000 1.035 357 S CA 1.222 59.482 58.200 0.100 0.000 1.018 357 S CB -0.289 62.873 63.200 -0.062 0.000 0.876 357 S HN 0.423 nan 8.310 nan 0.000 0.448 358 H N -2.177 116.899 119.070 0.009 0.000 2.319 358 H HA -0.175 4.384 4.556 0.005 0.000 0.299 358 H C 2.008 177.411 175.328 0.126 0.000 1.092 358 H CA 1.582 57.642 56.048 0.019 0.000 1.302 358 H CB -0.256 29.523 29.762 0.028 0.000 1.373 358 H HN 0.600 nan 8.280 nan 0.000 0.497 359 W N 1.288 122.677 121.300 0.149 0.000 2.354 359 W HA -0.232 4.431 4.660 0.005 0.000 0.315 359 W C 1.812 178.360 176.519 0.049 0.000 1.206 359 W CA 1.384 58.757 57.345 0.046 0.000 1.290 359 W CB -0.716 28.704 29.460 -0.066 0.000 1.152 359 W HN -0.012 nan 8.180 nan 0.000 0.489 360 F N 0.704 120.811 119.950 0.263 0.000 2.126 360 F HA -0.176 4.354 4.527 0.005 0.000 0.299 360 F C 2.592 178.333 175.800 -0.098 0.000 1.096 360 F CA 2.338 60.404 58.000 0.110 0.000 1.255 360 F CB -0.838 38.313 39.000 0.253 0.000 0.997 360 F HN -0.204 nan 8.300 nan 0.000 0.479 361 R N -0.299 120.273 120.500 0.121 0.000 2.090 361 R HA -0.149 4.194 4.340 0.005 0.000 0.228 361 R C 2.193 178.442 176.300 -0.086 0.000 1.110 361 R CA 1.284 57.390 56.100 0.011 0.000 0.973 361 R CB -0.474 29.804 30.300 -0.037 0.000 0.869 361 R HN 0.341 nan 8.270 nan 0.000 0.440 362 E N 0.582 120.705 120.200 -0.127 0.000 2.204 362 E HA -0.194 4.159 4.350 0.005 0.000 0.194 362 E C 1.606 178.023 176.600 -0.305 0.000 0.989 362 E CA 0.894 57.179 56.400 -0.192 0.000 0.824 362 E CB 0.281 29.886 29.700 -0.160 0.000 0.756 362 E HN 0.251 nan 8.360 nan 0.000 0.477 363 Q N -0.348 119.165 119.800 -0.477 0.000 2.187 363 Q HA -0.058 4.285 4.340 0.005 0.000 0.199 363 Q C 1.976 177.679 176.000 -0.495 0.000 0.957 363 Q CA 1.840 57.286 55.803 -0.594 0.000 0.857 363 Q CB 0.299 28.470 28.738 -0.944 0.000 0.929 363 Q HN 0.430 nan 8.270 nan 0.000 0.453 364 T N -3.615 110.717 114.554 -0.371 0.000 2.985 364 T HA 0.265 4.618 4.350 0.005 0.000 0.254 364 T C 0.995 175.567 174.700 -0.213 0.000 1.021 364 T CA 0.175 62.079 62.100 -0.326 0.000 0.957 364 T CB 0.119 68.862 68.868 -0.208 0.000 1.047 364 T HN 0.149 nan 8.240 nan 0.000 0.511 365 G N 0.548 109.250 108.800 -0.164 0.000 2.287 365 G HA2 0.436 4.399 3.960 0.005 0.000 0.235 365 G HA3 0.436 4.399 3.960 0.005 0.000 0.235 365 G C 0.143 174.965 174.900 -0.130 0.000 1.258 365 G CA 0.046 45.071 45.100 -0.125 0.000 0.884 365 G HN 0.695 nan 8.290 nan 0.000 0.518 366 G N 0.277 108.983 108.800 -0.155 0.000 2.667 366 G HA2 0.584 4.547 3.960 0.005 0.000 0.298 366 G HA3 0.584 4.547 3.960 0.005 0.000 0.298 366 G C -1.081 173.974 174.900 0.260 0.000 1.377 366 G CA -0.786 44.268 45.100 -0.077 0.000 0.964 366 G HN 0.671 nan 8.290 nan 0.000 0.493 367 I N 1.004 121.856 120.570 0.470 0.000 2.509 367 I HA 0.356 4.529 4.170 0.005 0.000 0.293 367 I C -0.418 175.834 176.117 0.226 0.000 1.020 367 I CA -0.754 60.758 61.300 0.352 0.000 1.088 367 I CB 2.419 40.514 38.000 0.157 0.000 1.267 367 I HN 0.125 nan 8.210 nan 0.000 0.430 368 L N 6.496 127.694 121.223 -0.041 0.000 2.255 368 L HA 0.459 4.802 4.340 0.005 0.000 0.289 368 L C 0.053 176.872 176.870 -0.086 0.000 1.046 368 L CA -0.268 54.362 54.840 -0.350 0.000 0.816 368 L CB 0.768 42.388 42.059 -0.732 0.000 1.197 368 L HN 0.546 nan 8.230 nan 0.000 0.427 369 R N 3.583 124.128 120.500 0.074 0.000 2.460 369 R HA 0.216 4.559 4.340 0.005 0.000 0.303 369 R C -0.036 176.424 176.300 0.266 0.000 0.968 369 R CA -0.645 55.531 56.100 0.126 0.000 0.889 369 R CB 1.373 31.710 30.300 0.061 0.000 1.123 369 R HN 0.561 nan 8.270 nan 0.000 0.455 370 E N 3.194 123.490 120.200 0.160 0.000 2.465 370 E HA -0.160 4.193 4.350 0.005 0.000 0.260 370 E C -0.779 175.772 176.600 -0.081 0.000 0.980 370 E CA 0.010 56.422 56.400 0.021 0.000 0.927 370 E CB 0.521 30.231 29.700 0.016 0.000 0.934 370 E HN 0.439 nan 8.360 nan 0.000 0.459 371 N N 5.299 123.775 118.700 -0.374 0.000 2.508 371 N HA -0.027 4.716 4.740 0.005 0.000 0.253 371 N C 0.440 175.696 175.510 -0.423 0.000 1.145 371 N CA -0.322 52.357 53.050 -0.618 0.000 0.973 371 N CB -0.427 37.612 38.487 -0.746 0.000 1.305 371 N HN 0.529 nan 8.380 nan 0.000 0.506 372 F N 0.340 120.266 119.950 -0.041 0.000 2.287 372 F HA -0.128 4.402 4.527 0.005 0.000 0.301 372 F C 2.089 177.819 175.800 -0.116 0.000 1.069 372 F CA -0.120 57.836 58.000 -0.074 0.000 1.372 372 F CB -0.969 38.002 39.000 -0.048 0.000 1.056 372 F HN 0.301 nan 8.300 nan 0.000 0.523 373 C N 1.756 121.049 119.300 -0.011 0.000 2.413 373 C HA -0.157 4.306 4.460 0.005 0.000 0.277 373 C C 2.956 177.943 174.990 -0.004 0.000 1.265 373 C CA 0.860 59.899 59.018 0.036 0.000 1.752 373 C CB -0.982 26.761 27.740 0.005 0.000 1.998 373 C HN 0.476 nan 8.230 nan 0.000 0.489 374 R N 0.743 121.195 120.500 -0.081 0.000 2.091 374 R HA -0.134 4.209 4.340 0.005 0.000 0.238 374 R C 2.121 178.397 176.300 -0.040 0.000 1.136 374 R CA 1.104 57.156 56.100 -0.079 0.000 0.959 374 R CB -0.721 29.494 30.300 -0.142 0.000 0.856 374 R HN 0.579 nan 8.270 nan 0.000 0.437 375 R N 0.319 120.806 120.500 -0.021 0.000 2.297 375 R HA 0.019 4.362 4.340 0.005 0.000 0.197 375 R C 0.414 176.718 176.300 0.006 0.000 0.943 375 R CA 0.953 57.049 56.100 -0.007 0.000 1.038 375 R CB 0.489 30.793 30.300 0.006 0.000 0.957 375 R HN 0.128 nan 8.270 nan 0.000 0.484 376 T N -1.609 112.959 114.554 0.023 0.000 3.028 376 T HA 0.222 4.575 4.350 0.005 0.000 0.262 376 T C -0.167 174.538 174.700 0.007 0.000 0.916 376 T CA 0.427 62.535 62.100 0.013 0.000 0.873 376 T CB 1.390 70.274 68.868 0.027 0.000 1.232 376 T HN 0.370 nan 8.240 nan 0.000 0.529 377 G N 1.393 110.211 108.800 0.030 0.000 3.295 377 G HA2 0.156 4.119 3.960 0.005 0.000 0.686 377 G HA3 0.156 4.119 3.960 0.005 0.000 0.686 377 G C 0.716 175.665 174.900 0.081 0.000 0.958 377 G CA -0.308 44.819 45.100 0.045 0.000 0.787 377 G HN 0.457 nan 8.290 nan 0.000 0.523 378 A N 2.033 124.933 122.820 0.133 0.000 1.883 378 A HA -0.006 4.317 4.320 0.005 0.000 0.217 378 A C 2.038 179.750 177.584 0.213 0.000 1.186 378 A CA 2.372 54.514 52.037 0.175 0.000 0.624 378 A CB -0.353 18.814 19.000 0.277 0.000 0.822 378 A HN 0.987 nan 8.150 nan 0.000 0.444 379 E N -0.728 119.623 120.200 0.251 0.000 2.396 379 E HA -0.107 4.246 4.350 0.005 0.000 0.200 379 E C 1.818 178.537 176.600 0.198 0.000 1.023 379 E CA 0.768 57.323 56.400 0.259 0.000 0.857 379 E CB -0.023 29.805 29.700 0.213 0.000 0.775 379 E HN 0.514 nan 8.360 nan 0.000 0.525 380 R N -0.804 119.731 120.500 0.058 0.000 2.397 380 R HA 0.253 4.596 4.340 0.005 0.000 0.241 380 R C -0.184 176.076 176.300 -0.066 0.000 0.914 380 R CA 0.078 56.048 56.100 -0.217 0.000 1.071 380 R CB 1.101 31.258 30.300 -0.239 0.000 1.116 380 R HN -0.103 nan 8.270 nan 0.000 0.524 381 S N 1.207 116.979 115.700 0.121 0.000 2.519 381 S HA 0.563 5.036 4.470 0.005 0.000 0.309 381 S C -0.455 174.302 174.600 0.261 0.000 1.100 381 S CA -0.546 57.747 58.200 0.156 0.000 1.059 381 S CB 1.903 65.146 63.200 0.072 0.000 1.008 381 S HN 0.069 nan 8.310 nan 0.000 0.478 382 I N 2.807 123.491 120.570 0.190 0.000 2.582 382 I HA 0.371 4.544 4.170 0.005 0.000 0.292 382 I C -0.203 175.937 176.117 0.038 0.000 1.066 382 I CA -0.660 60.679 61.300 0.066 0.000 1.053 382 I CB 1.828 39.761 38.000 -0.112 0.000 1.241 382 I HN 0.418 nan 8.210 nan 0.000 0.421 383 M N 4.242 123.829 119.600 -0.020 0.000 2.239 383 M HA 0.191 4.674 4.480 0.005 0.000 0.348 383 M C 1.081 177.327 176.300 -0.091 0.000 1.239 383 M CA 0.400 55.687 55.300 -0.022 0.000 1.114 383 M CB 1.479 34.022 32.600 -0.094 0.000 1.641 383 M HN 0.949 nan 8.290 nan 0.000 0.453 384 A N 5.088 127.910 122.820 0.004 0.000 1.883 384 A HA -0.075 4.248 4.320 0.005 0.000 0.217 384 A C 1.868 179.432 177.584 -0.034 0.000 1.186 384 A CA 2.108 54.170 52.037 0.043 0.000 0.624 384 A CB -1.554 17.608 19.000 0.270 0.000 0.822 384 A HN 1.054 nan 8.150 nan 0.000 0.444 385 G N -1.131 107.647 108.800 -0.035 0.000 2.513 385 G HA2 -0.280 3.683 3.960 0.005 0.000 0.219 385 G HA3 -0.280 3.683 3.960 0.005 0.000 0.219 385 G C 1.591 176.419 174.900 -0.121 0.000 1.160 385 G CA 1.867 46.928 45.100 -0.064 0.000 0.767 385 G HN 0.457 nan 8.290 nan 0.000 0.571 386 T N 0.790 115.218 114.554 -0.211 0.000 2.851 386 T HA -0.033 4.320 4.350 0.005 0.000 0.262 386 T C 2.224 176.723 174.700 -0.335 0.000 1.043 386 T CA 0.884 62.814 62.100 -0.283 0.000 1.140 386 T CB -0.244 68.410 68.868 -0.357 0.000 0.872 386 T HN 0.116 nan 8.240 nan 0.000 0.446 387 L N 1.063 122.004 121.223 -0.470 0.000 2.064 387 L HA -0.114 4.229 4.340 0.005 0.000 0.216 387 L C 1.014 177.437 176.870 -0.745 0.000 1.077 387 L CA 1.932 56.312 54.840 -0.767 0.000 0.766 387 L CB -0.760 40.615 42.059 -1.139 0.000 0.890 387 L HN 0.271 nan 8.230 nan 0.000 0.435 388 F N -0.610 119.244 119.950 -0.160 0.000 2.684 388 F HA 0.538 5.067 4.527 0.005 0.000 0.298 388 F C 0.908 176.663 175.800 -0.075 0.000 1.120 388 F CA -0.099 57.824 58.000 -0.129 0.000 1.332 388 F CB -1.007 37.914 39.000 -0.131 0.000 0.986 388 F HN 0.068 nan 8.300 nan 0.000 0.524 389 A N 0.359 123.187 122.820 0.013 0.000 2.261 389 A HA 0.803 5.126 4.320 0.005 0.000 0.323 389 A C 0.226 177.875 177.584 0.107 0.000 1.107 389 A CA -0.758 51.320 52.037 0.069 0.000 0.883 389 A CB 0.862 19.873 19.000 0.019 0.000 1.251 389 A HN 0.255 nan 8.150 nan 0.000 0.502 390 R N -0.562 120.081 120.500 0.238 0.000 2.486 390 R HA 0.483 4.826 4.340 0.005 0.000 0.286 390 R C 0.661 177.241 176.300 0.466 0.000 0.999 390 R CA 0.148 56.419 56.100 0.285 0.000 0.993 390 R CB 1.467 31.883 30.300 0.193 0.000 1.084 390 R HN 0.864 nan 8.270 nan 0.000 0.487 391 G N -0.174 108.837 108.800 0.352 0.000 2.535 391 G HA2 0.184 4.147 3.960 0.005 0.000 0.282 391 G HA3 0.184 4.147 3.960 0.005 0.000 0.282 391 G C 0.986 176.141 174.900 0.426 0.000 1.350 391 G CA -0.436 44.912 45.100 0.414 0.000 1.039 391 G HN 0.485 nan 8.290 nan 0.000 0.509 392 V N -1.691 118.350 119.914 0.212 0.000 3.186 392 V HA 0.003 4.126 4.120 0.005 0.000 0.270 392 V C 1.066 177.201 176.094 0.069 0.000 1.149 392 V CA 1.944 64.240 62.300 -0.006 0.000 1.160 392 V CB -0.798 30.881 31.823 -0.239 0.000 0.758 392 V HN 0.604 nan 8.190 nan 0.000 0.516 393 D N -0.945 119.517 120.400 0.104 0.000 2.538 393 D HA 0.178 4.821 4.640 0.005 0.000 0.231 393 D C 0.989 177.330 176.300 0.069 0.000 1.229 393 D CA -0.559 53.480 54.000 0.066 0.000 0.828 393 D CB -0.170 40.655 40.800 0.041 0.000 1.035 393 D HN 0.340 nan 8.370 nan 0.000 0.495 394 L N -1.295 119.999 121.223 0.118 0.000 4.555 394 L HA -0.261 4.082 4.340 0.005 0.000 0.431 394 L C -0.292 176.604 176.870 0.045 0.000 1.136 394 L CA 0.918 55.786 54.840 0.047 0.000 0.972 394 L CB -0.953 41.079 42.059 -0.045 0.000 1.999 394 L HN 0.266 nan 8.230 nan 0.000 0.900 395 Q N 0.131 119.968 119.800 0.062 0.000 2.259 395 Q HA 0.407 4.750 4.340 0.005 0.000 0.246 395 Q C -2.053 173.984 176.000 0.063 0.000 0.920 395 Q CA -1.971 53.854 55.803 0.036 0.000 0.895 395 Q CB 0.696 29.445 28.738 0.020 0.000 1.220 395 Q HN -0.036 nan 8.270 nan 0.000 0.439 396 P HA 0.102 nan 4.420 nan 0.000 0.267 396 P C 0.332 177.644 177.300 0.021 0.000 1.205 396 P CA 0.298 63.426 63.100 0.047 0.000 0.765 396 P CB 0.506 32.230 31.700 0.041 0.000 0.828 397 M N 2.587 122.192 119.600 0.009 0.000 2.319 397 M HA -0.074 4.409 4.480 0.005 0.000 0.265 397 M C 1.920 178.206 176.300 -0.022 0.000 1.068 397 M CA 1.321 56.618 55.300 -0.005 0.000 1.118 397 M CB -0.379 32.196 32.600 -0.040 0.000 1.395 397 M HN 0.400 nan 8.290 nan 0.000 0.435 398 I N 0.461 120.981 120.570 -0.082 0.000 2.208 398 I HA -0.356 3.817 4.170 0.005 0.000 0.245 398 I C 2.381 178.480 176.117 -0.030 0.000 1.097 398 I CA 1.389 62.629 61.300 -0.100 0.000 1.363 398 I CB -0.059 37.806 38.000 -0.225 0.000 1.051 398 I HN 0.338 nan 8.210 nan 0.000 0.413 399 Q N 0.208 119.975 119.800 -0.056 0.000 2.029 399 Q HA -0.268 4.075 4.340 0.005 0.000 0.209 399 Q C 2.293 178.274 176.000 -0.033 0.000 0.999 399 Q CA 2.776 58.541 55.803 -0.063 0.000 0.857 399 Q CB -1.324 27.381 28.738 -0.055 0.000 0.926 399 Q HN 0.678 nan 8.270 nan 0.000 0.415 400 T N -1.925 112.634 114.554 0.008 0.000 2.896 400 T HA -0.089 4.264 4.350 0.005 0.000 0.263 400 T C 1.774 176.497 174.700 0.039 0.000 1.050 400 T CA 0.853 62.962 62.100 0.014 0.000 1.140 400 T CB -0.615 68.265 68.868 0.020 0.000 0.877 400 T HN 0.229 nan 8.240 nan 0.000 0.457 401 F N 2.133 122.043 119.950 -0.067 0.000 2.091 401 F HA 0.010 4.540 4.527 0.005 0.000 0.299 401 F C 1.881 177.687 175.800 0.010 0.000 1.103 401 F CA 1.354 59.326 58.000 -0.046 0.000 1.228 401 F CB -0.384 38.577 39.000 -0.065 0.000 0.984 401 F HN 0.099 nan 8.300 nan 0.000 0.477 402 L N 0.262 121.400 121.223 -0.142 0.000 2.109 402 L HA -0.119 4.224 4.340 0.005 0.000 0.207 402 L C 2.696 179.518 176.870 -0.080 0.000 1.086 402 L CA 1.416 56.124 54.840 -0.220 0.000 0.760 402 L CB -0.714 41.164 42.059 -0.301 0.000 0.910 402 L HN 0.158 nan 8.230 nan 0.000 0.437 403 R N 0.129 120.578 120.500 -0.086 0.000 2.105 403 R HA -0.163 4.180 4.340 0.005 0.000 0.239 403 R C 1.941 178.224 176.300 -0.028 0.000 1.135 403 R CA 2.033 58.112 56.100 -0.034 0.000 0.967 403 R CB -0.402 29.875 30.300 -0.039 0.000 0.861 403 R HN 0.245 nan 8.270 nan 0.000 0.442 404 T N -0.012 114.478 114.554 -0.107 0.000 2.904 404 T HA -0.067 4.286 4.350 0.005 0.000 0.267 404 T C 1.420 175.989 174.700 -0.218 0.000 1.059 404 T CA 1.072 63.069 62.100 -0.173 0.000 1.137 404 T CB -0.249 68.470 68.868 -0.249 0.000 0.879 404 T HN 0.375 nan 8.240 nan 0.000 0.467 405 H N -0.372 118.619 119.070 -0.133 0.000 2.415 405 H HA 0.135 4.694 4.556 0.005 0.000 0.297 405 H C 1.318 176.614 175.328 -0.053 0.000 1.048 405 H CA 0.801 56.779 56.048 -0.117 0.000 1.365 405 H CB -0.138 29.487 29.762 -0.229 0.000 1.421 405 H HN 0.470 nan 8.280 nan 0.000 0.533 406 Y N -0.091 120.218 120.300 0.014 0.000 2.490 406 Y HA 0.095 4.649 4.550 0.005 0.000 0.281 406 Y C 1.916 177.825 175.900 0.014 0.000 1.174 406 Y CA 0.300 58.415 58.100 0.025 0.000 1.295 406 Y CB 0.489 38.963 38.460 0.024 0.000 1.062 406 Y HN 0.331 nan 8.280 nan 0.000 0.522 407 G N 0.725 109.585 108.800 0.100 0.000 2.245 407 G HA2 -0.313 3.650 3.960 0.005 0.000 0.264 407 G HA3 -0.313 3.650 3.960 0.005 0.000 0.264 407 G C 0.077 175.009 174.900 0.053 0.000 0.985 407 G CA 0.716 45.847 45.100 0.051 0.000 0.625 407 G HN 0.509 nan 8.290 nan 0.000 0.536 408 E N -1.588 118.660 120.200 0.080 0.000 2.429 408 E HA 0.669 5.022 4.350 0.005 0.000 0.280 408 E C -0.184 176.441 176.600 0.042 0.000 1.068 408 E CA -0.725 55.706 56.400 0.052 0.000 0.837 408 E CB 0.479 30.210 29.700 0.052 0.000 1.357 408 E HN 1.314 nan 8.360 nan 0.000 0.455 409 A N 1.358 124.186 122.820 0.014 0.000 2.520 409 A HA 0.318 4.641 4.320 0.005 0.000 0.245 409 A C -0.281 177.295 177.584 -0.014 0.000 1.072 409 A CA -0.257 51.773 52.037 -0.011 0.000 0.761 409 A CB -0.244 18.747 19.000 -0.016 0.000 1.004 409 A HN 0.399 nan 8.150 nan 0.000 0.499 410 L N 3.602 124.789 121.223 -0.060 0.000 2.410 410 L HA 0.199 4.542 4.340 0.005 0.000 0.273 410 L C 0.574 177.421 176.870 -0.038 0.000 1.144 410 L CA 0.138 54.929 54.840 -0.080 0.000 0.863 410 L CB 0.462 42.400 42.059 -0.202 0.000 1.140 410 L HN 0.834 nan 8.230 nan 0.000 0.463 411 D N 0.807 121.206 120.400 -0.001 0.000 2.398 411 D HA 0.036 4.679 4.640 0.005 0.000 0.247 411 D C 0.586 176.895 176.300 0.014 0.000 1.227 411 D CA -0.510 53.496 54.000 0.010 0.000 0.980 411 D CB 0.488 41.303 40.800 0.026 0.000 1.106 411 D HN 0.391 nan 8.370 nan 0.000 0.493 412 D N -0.596 119.815 120.400 0.018 0.000 2.149 412 D HA -0.188 4.455 4.640 0.005 0.000 0.194 412 D C 1.391 177.728 176.300 0.060 0.000 1.001 412 D CA 1.249 55.265 54.000 0.028 0.000 0.849 412 D CB -0.217 40.596 40.800 0.023 0.000 0.939 412 D HN 0.362 nan 8.370 nan 0.000 0.449 413 N N 0.318 119.060 118.700 0.071 0.000 2.188 413 N HA -0.063 4.680 4.740 0.005 0.000 0.184 413 N C 1.726 177.340 175.510 0.174 0.000 1.018 413 N CA 1.192 54.304 53.050 0.103 0.000 0.858 413 N CB -0.447 38.086 38.487 0.077 0.000 0.989 413 N HN 0.169 nan 8.380 nan 0.000 0.426 414 A N 1.303 124.214 122.820 0.152 0.000 1.902 414 A HA -0.037 4.286 4.320 0.005 0.000 0.217 414 A C 2.385 180.064 177.584 0.159 0.000 1.181 414 A CA 0.887 53.034 52.037 0.183 0.000 0.623 414 A CB -0.722 18.313 19.000 0.058 0.000 0.818 414 A HN 0.189 nan 8.150 nan 0.000 0.443 415 L N -0.874 120.402 121.223 0.089 0.000 2.027 415 L HA -0.148 4.195 4.340 0.005 0.000 0.206 415 L C 2.559 179.571 176.870 0.237 0.000 1.074 415 L CA 1.103 56.000 54.840 0.094 0.000 0.745 415 L CB -0.444 41.623 42.059 0.012 0.000 0.898 415 L HN 0.367 nan 8.230 nan 0.000 0.433 416 L N -1.625 119.729 121.223 0.218 0.000 2.131 416 L HA -0.269 4.074 4.340 0.005 0.000 0.210 416 L C 2.564 179.667 176.870 0.389 0.000 1.092 416 L CA 1.002 56.000 54.840 0.264 0.000 0.759 416 L CB -0.606 41.562 42.059 0.182 0.000 0.903 416 L HN 0.275 nan 8.230 nan 0.000 0.435 417 Y N -0.674 119.753 120.300 0.212 0.000 2.184 417 Y HA -0.279 4.274 4.550 0.005 0.000 0.290 417 Y C 2.262 178.305 175.900 0.238 0.000 1.129 417 Y CA 0.891 59.106 58.100 0.192 0.000 1.144 417 Y CB -0.918 37.644 38.460 0.170 0.000 0.995 417 Y HN 0.203 nan 8.280 nan 0.000 0.513 418 W N 0.122 121.462 121.300 0.067 0.000 2.318 418 W HA -0.335 4.329 4.660 0.006 0.000 0.313 418 W C 2.440 179.044 176.519 0.142 0.000 1.221 418 W CA 2.923 60.271 57.345 0.005 0.000 1.266 418 W CB -1.009 28.453 29.460 0.003 0.000 1.150 418 W HN 0.165 nan 8.180 nan 0.000 0.496 419 F N 1.275 121.523 119.950 0.497 0.000 2.095 419 F HA -0.289 4.241 4.527 0.005 0.000 0.298 419 F C 2.314 178.224 175.800 0.182 0.000 1.104 419 F CA 2.420 60.651 58.000 0.385 0.000 1.232 419 F CB -0.779 38.366 39.000 0.241 0.000 0.987 419 F HN -0.175 nan 8.300 nan 0.000 0.475 420 D N 0.625 121.064 120.400 0.065 0.000 2.104 420 D HA -0.222 4.421 4.640 0.005 0.000 0.194 420 D C 1.819 178.013 176.300 -0.177 0.000 0.994 420 D CA 1.735 55.686 54.000 -0.082 0.000 0.830 420 D CB -0.494 40.387 40.800 0.135 0.000 0.959 420 D HN 0.310 nan 8.370 nan 0.000 0.452 421 D N -1.165 119.147 120.400 -0.146 0.000 2.182 421 D HA -0.172 4.471 4.640 0.005 0.000 0.201 421 D C 1.811 177.911 176.300 -0.333 0.000 0.986 421 D CA 0.614 54.470 54.000 -0.240 0.000 0.847 421 D CB -0.278 40.312 40.800 -0.350 0.000 0.942 421 D HN 0.384 nan 8.370 nan 0.000 0.467 422 Y N 1.605 121.578 120.300 -0.545 0.000 2.138 422 Y HA -0.233 4.320 4.550 0.005 0.000 0.286 422 Y C 2.498 178.174 175.900 -0.374 0.000 1.115 422 Y CA 2.076 59.883 58.100 -0.488 0.000 1.105 422 Y CB -0.397 37.760 38.460 -0.504 0.000 1.004 422 Y HN -0.101 nan 8.280 nan 0.000 0.494 423 Q N -0.674 118.855 119.800 -0.451 0.000 2.133 423 Q HA -0.216 4.127 4.340 0.005 0.000 0.208 423 Q C 2.118 177.909 176.000 -0.348 0.000 0.991 423 Q CA 2.603 58.117 55.803 -0.481 0.000 0.867 423 Q CB -1.596 26.645 28.738 -0.829 0.000 0.911 423 Q HN 0.364 nan 8.270 nan 0.000 0.417 424 T N -0.711 113.664 114.554 -0.299 0.000 2.881 424 T HA -0.055 4.298 4.350 0.005 0.000 0.270 424 T C 1.504 176.087 174.700 -0.195 0.000 1.068 424 T CA 1.339 63.325 62.100 -0.189 0.000 1.131 424 T CB -0.103 68.687 68.868 -0.130 0.000 0.871 424 T HN 0.401 nan 8.240 nan 0.000 0.479 425 R N -0.492 119.838 120.500 -0.282 0.000 2.310 425 R HA 0.269 4.612 4.340 0.005 0.000 0.202 425 R C 1.674 177.800 176.300 -0.291 0.000 0.933 425 R CA 0.081 56.024 56.100 -0.262 0.000 1.054 425 R CB 0.085 30.211 30.300 -0.290 0.000 0.985 425 R HN 0.281 nan 8.270 nan 0.000 0.489 426 L N -0.423 120.590 121.223 -0.350 0.000 2.347 426 L HA 0.134 4.477 4.340 0.005 0.000 0.196 426 L C 1.577 178.319 176.870 -0.213 0.000 1.072 426 L CA 1.271 55.909 54.840 -0.337 0.000 0.817 426 L CB -0.135 41.641 42.059 -0.472 0.000 1.029 426 L HN 0.053 nan 8.230 nan 0.000 0.478 427 L N -0.431 120.690 121.223 -0.170 0.000 2.017 427 L HA -0.172 4.171 4.340 0.005 0.000 0.208 427 L C 2.795 179.666 176.870 0.002 0.000 1.073 427 L CA 1.403 56.206 54.840 -0.063 0.000 0.745 427 L CB -0.486 41.577 42.059 0.005 0.000 0.894 427 L HN 0.253 nan 8.230 nan 0.000 0.432 428 R N -0.245 120.246 120.500 -0.015 0.000 2.080 428 R HA -0.159 4.184 4.340 0.005 0.000 0.236 428 R C -0.185 176.139 176.300 0.040 0.000 1.137 428 R CA 1.671 57.785 56.100 0.024 0.000 0.943 428 R CB -1.562 28.738 30.300 0.000 0.000 0.846 428 R HN 0.347 nan 8.270 nan 0.000 0.431 429 P HA -0.119 nan 4.420 nan 0.000 0.215 429 P C 1.508 178.844 177.300 0.061 0.000 1.157 429 P CA 1.034 64.149 63.100 0.026 0.000 0.868 429 P CB 0.014 31.711 31.700 -0.004 0.000 0.788 430 V N -0.614 119.324 119.914 0.041 0.000 2.295 430 V HA -0.210 3.913 4.120 0.005 0.000 0.246 430 V C 2.429 178.613 176.094 0.150 0.000 1.049 430 V CA 1.713 64.051 62.300 0.064 0.000 1.024 430 V CB -1.175 30.640 31.823 -0.013 0.000 0.648 430 V HN 0.034 nan 8.190 nan 0.000 0.447 431 L N -0.529 120.812 121.223 0.197 0.000 2.217 431 L HA -0.093 4.250 4.340 0.005 0.000 0.211 431 L C 2.470 179.574 176.870 0.390 0.000 1.107 431 L CA 1.254 56.315 54.840 0.368 0.000 0.783 431 L CB -0.469 41.843 42.059 0.423 0.000 0.919 431 L HN 0.262 nan 8.230 nan 0.000 0.442 432 S N -0.247 115.603 115.700 0.250 0.000 2.428 432 S HA -0.018 4.455 4.470 0.005 0.000 0.230 432 S C 1.946 176.682 174.600 0.227 0.000 1.014 432 S CA 0.781 59.112 58.200 0.218 0.000 0.957 432 S CB -0.066 63.224 63.200 0.150 0.000 0.784 432 S HN 0.287 nan 8.310 nan 0.000 0.499 433 L N -0.144 121.192 121.223 0.188 0.000 2.072 433 L HA -0.034 4.309 4.340 0.005 0.000 0.205 433 L C 2.118 179.093 176.870 0.175 0.000 1.079 433 L CA 1.256 56.185 54.840 0.148 0.000 0.752 433 L CB -0.364 41.741 42.059 0.075 0.000 0.906 433 L HN 0.302 nan 8.230 nan 0.000 0.436 434 F N 0.167 120.124 119.950 0.012 0.000 2.014 434 F HA -0.299 4.231 4.527 0.005 0.000 0.295 434 F C 2.201 177.919 175.800 -0.137 0.000 1.145 434 F CA 1.789 59.717 58.000 -0.120 0.000 1.178 434 F CB -0.256 38.574 39.000 -0.283 0.000 0.972 434 F HN -0.136 nan 8.300 nan 0.000 0.476 435 F N 0.759 120.685 119.950 -0.040 0.000 2.259 435 F HA -0.145 4.385 4.527 0.005 0.000 0.298 435 F C 2.234 177.905 175.800 -0.215 0.000 1.088 435 F CA 1.105 58.973 58.000 -0.221 0.000 1.358 435 F CB -0.907 38.066 39.000 -0.044 0.000 1.040 435 F HN 0.048 nan 8.300 nan 0.000 0.505 436 N N -1.193 117.515 118.700 0.014 0.000 2.250 436 N HA -0.088 4.655 4.740 0.005 0.000 0.181 436 N C 1.329 176.555 175.510 -0.474 0.000 1.017 436 N CA 1.237 54.155 53.050 -0.221 0.000 0.866 436 N CB -0.258 38.106 38.487 -0.205 0.000 0.985 436 N HN 0.387 nan 8.380 nan 0.000 0.429 437 H N -1.886 117.158 119.070 -0.043 0.000 3.360 437 H HA 0.248 4.807 4.556 0.005 0.000 0.262 437 H C 0.668 176.003 175.328 0.013 0.000 1.149 437 H CA 0.560 56.618 56.048 0.017 0.000 1.181 437 H CB 1.115 30.840 29.762 -0.062 0.000 1.564 437 H HN 0.194 nan 8.280 nan 0.000 0.565 438 G N 1.968 110.728 108.800 -0.067 0.000 2.179 438 G HA2 -0.283 3.680 3.960 0.005 0.000 0.257 438 G HA3 -0.283 3.680 3.960 0.005 0.000 0.257 438 G C 0.164 175.076 174.900 0.020 0.000 1.010 438 G CA 0.496 45.507 45.100 -0.148 0.000 0.736 438 G HN 0.198 nan 8.290 nan 0.000 0.513 439 V N 0.654 120.604 119.914 0.060 0.000 2.406 439 V HA 0.458 4.581 4.120 0.005 0.000 0.272 439 V C 0.684 176.883 176.094 0.174 0.000 1.043 439 V CA -0.555 61.776 62.300 0.050 0.000 0.915 439 V CB 1.745 33.498 31.823 -0.117 0.000 0.988 439 V HN 0.281 nan 8.190 nan 0.000 0.466 440 V N 6.532 126.549 119.914 0.171 0.000 2.311 440 V HA 0.397 4.520 4.120 0.005 0.000 0.275 440 V C 0.365 176.526 176.094 0.111 0.000 1.022 440 V CA -0.536 61.877 62.300 0.189 0.000 0.830 440 V CB 1.087 33.039 31.823 0.215 0.000 1.012 440 V HN 0.715 nan 8.190 nan 0.000 0.452 441 M N 2.999 122.665 119.600 0.109 0.000 2.159 441 M HA 0.425 4.908 4.480 0.005 0.000 0.293 441 M C 0.335 176.652 176.300 0.028 0.000 1.186 441 M CA -0.106 55.244 55.300 0.083 0.000 1.073 441 M CB 0.535 33.182 32.600 0.080 0.000 1.419 441 M HN 0.704 nan 8.290 nan 0.000 0.490 442 E N 2.328 122.518 120.200 -0.018 0.000 2.916 442 E HA 0.285 4.638 4.350 0.005 0.000 0.217 442 E C -2.187 174.283 176.600 -0.216 0.000 1.100 442 E CA -1.582 54.773 56.400 -0.075 0.000 0.891 442 E CB 0.718 30.381 29.700 -0.062 0.000 1.311 442 E HN 0.193 nan 8.360 nan 0.000 0.421 443 P HA 0.101 nan 4.420 nan 0.000 0.220 443 P C -0.798 176.528 177.300 0.044 0.000 1.793 443 P CA -0.315 62.727 63.100 -0.096 0.000 0.917 443 P CB -0.625 31.002 31.700 -0.122 0.000 1.755 444 H N -1.253 117.877 119.070 0.099 0.000 2.639 444 H HA 0.173 4.732 4.556 0.005 0.000 0.373 444 H C 1.417 176.812 175.328 0.112 0.000 1.372 444 H CA -0.749 55.354 56.048 0.091 0.000 1.448 444 H CB -0.161 29.623 29.762 0.037 0.000 1.544 444 H HN -0.149 nan 8.280 nan 0.000 0.615 445 L N -0.625 120.716 121.223 0.197 0.000 2.079 445 L HA -0.211 4.132 4.340 0.005 0.000 0.210 445 L C 2.421 179.372 176.870 0.135 0.000 1.081 445 L CA 1.679 56.515 54.840 -0.007 0.000 0.752 445 L CB -0.575 41.397 42.059 -0.146 0.000 0.896 445 L HN 0.683 nan 8.230 nan 0.000 0.433 446 Q N -0.320 119.632 119.800 0.253 0.000 2.224 446 Q HA -0.100 4.243 4.340 0.005 0.000 0.203 446 Q C 1.169 177.294 176.000 0.209 0.000 0.970 446 Q CA 0.916 56.835 55.803 0.193 0.000 0.865 446 Q CB 0.066 28.878 28.738 0.123 0.000 0.922 446 Q HN 0.398 nan 8.270 nan 0.000 0.445 447 N N -0.224 118.604 118.700 0.213 0.000 2.313 447 N HA 0.085 4.828 4.740 0.005 0.000 0.207 447 N C -1.056 174.472 175.510 0.029 0.000 1.141 447 N CA 0.153 53.203 53.050 -0.001 0.000 0.830 447 N CB 0.898 39.216 38.487 -0.280 0.000 1.008 447 N HN -0.043 nan 8.380 nan 0.000 0.481 448 S N -0.519 115.241 115.700 0.101 0.000 2.547 448 S HA 0.576 5.049 4.470 0.005 0.000 0.281 448 S C -0.503 174.150 174.600 0.087 0.000 1.118 448 S CA -0.727 57.545 58.200 0.120 0.000 0.947 448 S CB 2.816 66.212 63.200 0.326 0.000 1.053 448 S HN -0.187 nan 8.310 nan 0.000 0.482 449 V N 3.088 123.000 119.914 -0.002 0.000 2.482 449 V HA 0.381 4.504 4.120 0.005 0.000 0.295 449 V C -0.683 175.395 176.094 -0.025 0.000 1.026 449 V CA -0.686 61.583 62.300 -0.052 0.000 0.856 449 V CB 1.513 33.148 31.823 -0.314 0.000 1.001 449 V HN 0.813 nan 8.190 nan 0.000 0.424 450 L N 6.725 128.006 121.223 0.096 0.000 2.410 450 L HA 0.420 4.763 4.340 0.005 0.000 0.273 450 L C -0.151 176.778 176.870 0.098 0.000 1.144 450 L CA 0.651 55.582 54.840 0.151 0.000 0.863 450 L CB 1.127 43.366 42.059 0.300 0.000 1.140 450 L HN 0.470 nan 8.230 nan 0.000 0.463 451 V N 6.153 126.090 119.914 0.037 0.000 2.350 451 V HA 0.384 4.507 4.120 0.005 0.000 0.276 451 V C -0.257 175.876 176.094 0.065 0.000 1.028 451 V CA -0.513 61.791 62.300 0.006 0.000 0.860 451 V CB 0.615 32.398 31.823 -0.065 0.000 0.990 451 V HN 1.007 nan 8.190 nan 0.000 0.453 452 H N 2.402 121.499 119.070 0.046 0.000 2.771 452 H HA 0.804 5.363 4.556 0.005 0.000 0.367 452 H C -0.656 174.677 175.328 0.008 0.000 1.172 452 H CA -1.113 54.964 56.048 0.049 0.000 1.186 452 H CB 1.676 31.530 29.762 0.154 0.000 1.790 452 H HN 0.479 nan 8.280 nan 0.000 0.556 453 Q N 1.226 121.039 119.800 0.022 0.000 2.327 453 Q HA 0.231 4.574 4.340 0.005 0.000 0.270 453 Q C -0.850 175.147 176.000 -0.005 0.000 1.022 453 Q CA -0.651 55.123 55.803 -0.047 0.000 0.773 453 Q CB 1.129 29.836 28.738 -0.051 0.000 1.251 453 Q HN 0.833 nan 8.270 nan 0.000 0.457 454 Q N 2.895 122.667 119.800 -0.045 0.000 2.411 454 Q HA -0.334 4.009 4.340 0.005 0.000 0.305 454 Q C 0.667 176.389 176.000 -0.462 0.000 1.273 454 Q CA 1.104 56.771 55.803 -0.227 0.000 0.895 454 Q CB -1.622 27.076 28.738 -0.066 0.000 1.198 454 Q HN 1.182 nan 8.270 nan 0.000 0.470 455 G N -1.196 107.388 108.800 -0.360 0.000 2.258 455 G HA2 -0.320 3.643 3.960 0.005 0.000 0.233 455 G HA3 -0.320 3.643 3.960 0.005 0.000 0.233 455 G C -0.054 175.027 174.900 0.303 0.000 1.006 455 G CA 0.010 45.018 45.100 -0.152 0.000 0.620 455 G HN 0.269 nan 8.290 nan 0.000 0.511 456 R N 1.820 122.402 120.500 0.136 0.000 2.267 456 R HA 0.525 4.868 4.340 0.005 0.000 0.319 456 R C -2.489 173.820 176.300 0.014 0.000 1.067 456 R CA -1.930 54.200 56.100 0.050 0.000 0.936 456 R CB 0.479 30.745 30.300 -0.057 0.000 1.006 456 R HN 0.149 nan 8.270 nan 0.000 0.452 457 P HA -0.039 nan 4.420 nan 0.000 0.262 457 P C -0.261 176.971 177.300 -0.114 0.000 1.199 457 P CA 0.217 63.228 63.100 -0.148 0.000 0.763 457 P CB 0.869 32.336 31.700 -0.389 0.000 0.790 458 Q N 2.093 121.857 119.800 -0.059 0.000 2.499 458 Q HA 0.106 4.449 4.340 0.005 0.000 0.213 458 Q C 0.299 176.247 176.000 -0.087 0.000 0.929 458 Q CA 1.105 56.867 55.803 -0.069 0.000 0.904 458 Q CB 0.405 29.112 28.738 -0.051 0.000 1.052 458 Q HN 0.618 nan 8.270 nan 0.000 0.589 459 Q N 0.116 119.866 119.800 -0.083 0.000 2.379 459 Q HA 0.555 4.898 4.340 0.005 0.000 0.278 459 Q C -1.239 174.692 176.000 -0.116 0.000 1.068 459 Q CA -0.559 55.181 55.803 -0.104 0.000 0.816 459 Q CB 2.994 31.679 28.738 -0.089 0.000 1.387 459 Q HN -0.149 nan 8.270 nan 0.000 0.413 460 V N 2.386 122.206 119.914 -0.156 0.000 2.257 460 V HA 0.251 4.374 4.120 0.005 0.000 0.269 460 V C -0.223 175.797 176.094 -0.122 0.000 1.040 460 V CA -0.546 61.666 62.300 -0.147 0.000 0.813 460 V CB 0.791 32.449 31.823 -0.275 0.000 1.065 460 V HN 0.668 nan 8.190 nan 0.000 0.457 461 L N 5.650 126.786 121.223 -0.145 0.000 2.453 461 L HA 0.397 4.740 4.340 0.005 0.000 0.272 461 L C -0.523 176.273 176.870 -0.123 0.000 1.182 461 L CA 0.227 54.964 54.840 -0.172 0.000 0.858 461 L CB 0.552 42.406 42.059 -0.343 0.000 1.120 461 L HN 0.470 nan 8.230 nan 0.000 0.474 462 L N 5.843 127.023 121.223 -0.071 0.000 2.331 462 L HA 0.635 4.978 4.340 0.005 0.000 0.275 462 L C 0.045 176.885 176.870 -0.050 0.000 1.022 462 L CA -0.736 54.080 54.840 -0.039 0.000 0.812 462 L CB 1.644 43.704 42.059 0.002 0.000 1.257 462 L HN 0.693 nan 8.230 nan 0.000 0.435 463 R N 0.474 120.939 120.500 -0.058 0.000 2.888 463 R HA 0.337 4.680 4.340 0.005 0.000 0.264 463 R C -1.468 174.773 176.300 -0.098 0.000 1.045 463 R CA -0.975 55.063 56.100 -0.103 0.000 0.962 463 R CB 1.756 32.018 30.300 -0.063 0.000 1.210 463 R HN 0.678 nan 8.270 nan 0.000 0.479 464 D N 0.809 121.110 120.400 -0.166 0.000 3.639 464 D HA -0.131 4.512 4.640 0.005 0.000 0.253 464 D C 0.123 176.474 176.300 0.085 0.000 1.049 464 D CA 0.149 54.108 54.000 -0.069 0.000 1.059 464 D CB -0.574 40.209 40.800 -0.027 0.000 0.953 464 D HN 0.373 nan 8.370 nan 0.000 0.420 465 F N 0.958 120.835 119.950 -0.120 0.000 2.333 465 F HA -0.014 4.515 4.527 0.005 0.000 0.300 465 F C 2.355 178.122 175.800 -0.054 0.000 1.083 465 F CA 1.456 59.385 58.000 -0.118 0.000 1.395 465 F CB -0.486 38.437 39.000 -0.128 0.000 1.056 465 F HN 0.511 nan 8.300 nan 0.000 0.529 466 E N 0.167 120.449 120.200 0.138 0.000 2.049 466 E HA -0.191 4.162 4.350 0.005 0.000 0.198 466 E C 2.554 179.186 176.600 0.052 0.000 1.007 466 E CA 1.413 57.856 56.400 0.073 0.000 0.809 466 E CB -0.571 29.158 29.700 0.048 0.000 0.749 466 E HN 0.349 nan 8.360 nan 0.000 0.450 467 G N 0.383 109.215 108.800 0.055 0.000 2.509 467 G HA2 -0.091 3.872 3.960 0.005 0.000 0.218 467 G HA3 -0.091 3.872 3.960 0.005 0.000 0.218 467 G C 0.601 175.496 174.900 -0.007 0.000 1.124 467 G CA 0.229 45.348 45.100 0.032 0.000 0.776 467 G HN 0.115 nan 8.290 nan 0.000 0.547 468 V N 1.134 121.061 119.914 0.022 0.000 2.740 468 V HA 0.257 4.380 4.120 0.005 0.000 0.303 468 V C 0.032 176.077 176.094 -0.081 0.000 1.054 468 V CA 0.183 62.490 62.300 0.012 0.000 1.106 468 V CB 1.231 33.097 31.823 0.070 0.000 0.957 468 V HN 0.144 nan 8.190 nan 0.000 0.486 469 K N 4.530 124.861 120.400 -0.115 0.000 2.477 469 K HA 0.652 4.975 4.320 0.005 0.000 0.255 469 K C -1.340 175.227 176.600 -0.056 0.000 0.952 469 K CA -0.686 55.467 56.287 -0.224 0.000 0.826 469 K CB 2.655 34.725 32.500 -0.716 0.000 1.331 469 K HN 0.426 nan 8.250 nan 0.000 0.437 470 L N 1.671 122.882 121.223 -0.022 0.000 2.325 470 L HA 0.291 4.634 4.340 0.005 0.000 0.281 470 L C 0.608 177.533 176.870 0.093 0.000 1.004 470 L CA -0.917 53.952 54.840 0.049 0.000 0.823 470 L CB 1.853 43.939 42.059 0.045 0.000 1.236 470 L HN 0.743 nan 8.230 nan 0.000 0.415 471 T N -2.476 112.143 114.554 0.107 0.000 2.946 471 T HA -0.019 4.334 4.350 0.005 0.000 0.311 471 T C 1.001 175.734 174.700 0.055 0.000 1.063 471 T CA -0.278 61.887 62.100 0.109 0.000 1.139 471 T CB 0.729 69.625 68.868 0.046 0.000 0.994 471 T HN 0.720 nan 8.240 nan 0.000 0.547 472 D N 1.298 121.736 120.400 0.064 0.000 2.310 472 D HA -0.142 4.501 4.640 0.005 0.000 0.212 472 D C 1.189 177.485 176.300 -0.007 0.000 0.965 472 D CA 1.181 55.200 54.000 0.031 0.000 0.879 472 D CB -0.209 40.614 40.800 0.039 0.000 0.921 472 D HN 0.797 nan 8.370 nan 0.000 0.510 473 D N -0.843 119.542 120.400 -0.024 0.000 2.366 473 D HA 0.006 4.649 4.640 0.005 0.000 0.205 473 D C 1.572 177.820 176.300 -0.087 0.000 1.022 473 D CA -0.032 53.936 54.000 -0.052 0.000 0.868 473 D CB 0.103 40.871 40.800 -0.052 0.000 0.953 473 D HN 0.342 nan 8.370 nan 0.000 0.514 474 L N -0.393 120.770 121.223 -0.101 0.000 2.437 474 L HA 0.419 4.762 4.340 0.005 0.000 0.188 474 L C 2.014 178.797 176.870 -0.144 0.000 1.123 474 L CA 1.346 56.100 54.840 -0.143 0.000 0.981 474 L CB -0.376 41.584 42.059 -0.165 0.000 1.935 474 L HN -0.003 nan 8.230 nan 0.000 0.494 475 G N 1.245 110.012 108.800 -0.055 0.000 2.470 475 G HA2 -0.175 3.788 3.960 0.005 0.000 0.220 475 G HA3 -0.175 3.788 3.960 0.005 0.000 0.220 475 G C 1.460 176.384 174.900 0.040 0.000 1.121 475 G CA 1.174 46.309 45.100 0.059 0.000 0.766 475 G HN 0.632 nan 8.290 nan 0.000 0.553 476 I N -0.975 119.583 120.570 -0.020 0.000 2.151 476 I HA -0.216 3.957 4.170 0.005 0.000 0.243 476 I C 2.619 178.702 176.117 -0.057 0.000 1.080 476 I CA 1.523 62.809 61.300 -0.022 0.000 1.339 476 I CB -0.433 37.550 38.000 -0.029 0.000 1.039 476 I HN -0.034 nan 8.210 nan 0.000 0.409 477 R N -0.279 120.121 120.500 -0.167 0.000 2.193 477 R HA -0.123 4.220 4.340 0.005 0.000 0.229 477 R C 2.140 178.323 176.300 -0.195 0.000 1.110 477 R CA 1.394 57.367 56.100 -0.212 0.000 0.988 477 R CB -0.448 29.675 30.300 -0.295 0.000 0.871 477 R HN 0.450 nan 8.270 nan 0.000 0.458 478 Y N 0.327 120.607 120.300 -0.034 0.000 2.421 478 Y HA -0.021 4.532 4.550 0.005 0.000 0.292 478 Y C 1.198 177.085 175.900 -0.021 0.000 1.136 478 Y CA 0.159 58.238 58.100 -0.035 0.000 1.255 478 Y CB -0.065 38.356 38.460 -0.064 0.000 0.991 478 Y HN -0.004 nan 8.280 nan 0.000 0.552 479 I N 1.124 121.759 120.570 0.108 0.000 2.395 479 I HA 0.038 4.211 4.170 0.005 0.000 0.289 479 I C -0.364 175.781 176.117 0.046 0.000 1.023 479 I CA -0.415 60.927 61.300 0.070 0.000 1.350 479 I CB 0.382 38.414 38.000 0.053 0.000 1.409 479 I HN -0.002 nan 8.210 nan 0.000 0.507 480 D N 5.923 126.354 120.400 0.051 0.000 2.357 480 D HA 0.036 4.679 4.640 0.005 0.000 0.242 480 D C 0.625 176.946 176.300 0.035 0.000 1.153 480 D CA -0.068 53.957 54.000 0.041 0.000 0.918 480 D CB 0.706 41.535 40.800 0.048 0.000 1.181 480 D HN 0.435 nan 8.370 nan 0.000 0.435 481 D N -0.128 120.288 120.400 0.026 0.000 2.348 481 D HA -0.124 4.519 4.640 0.005 0.000 0.216 481 D C 0.805 177.122 176.300 0.028 0.000 0.970 481 D CA 0.615 54.628 54.000 0.021 0.000 0.889 481 D CB 0.223 41.031 40.800 0.012 0.000 0.912 481 D HN 0.410 nan 8.370 nan 0.000 0.524 482 D N 0.380 120.802 120.400 0.038 0.000 2.349 482 D HA -0.048 4.595 4.640 0.005 0.000 0.224 482 D C 0.269 176.610 176.300 0.070 0.000 1.029 482 D CA -0.093 53.935 54.000 0.047 0.000 0.879 482 D CB 0.414 41.244 40.800 0.049 0.000 0.906 482 D HN 0.018 nan 8.370 nan 0.000 0.528 483 I N 1.525 122.139 120.570 0.073 0.000 2.428 483 I HA 0.010 4.183 4.170 0.005 0.000 0.289 483 I C 0.823 177.022 176.117 0.136 0.000 1.019 483 I CA -0.678 60.686 61.300 0.107 0.000 1.351 483 I CB 0.654 38.705 38.000 0.086 0.000 1.412 483 I HN 0.072 nan 8.210 nan 0.000 0.513 484 H N 8.669 127.804 119.070 0.108 0.000 3.034 484 H HA 0.023 4.582 4.556 0.005 0.000 0.324 484 H C -1.684 173.704 175.328 0.099 0.000 1.015 484 H CA -1.004 55.132 56.048 0.147 0.000 1.429 484 H CB 1.039 30.972 29.762 0.285 0.000 1.429 484 H HN 0.296 nan 8.280 nan 0.000 0.585 485 P HA -0.184 nan 4.420 nan 0.000 0.217 485 P C 1.539 178.955 177.300 0.194 0.000 1.148 485 P CA 1.473 64.638 63.100 0.110 0.000 0.834 485 P CB 0.256 31.954 31.700 -0.003 0.000 0.783 486 R N -0.269 120.499 120.500 0.447 0.000 2.075 486 R HA -0.030 4.313 4.340 0.005 0.000 0.226 486 R C 1.887 178.043 176.300 -0.241 0.000 1.114 486 R CA 1.271 57.393 56.100 0.037 0.000 0.972 486 R CB -1.364 28.983 30.300 0.077 0.000 0.869 486 R HN -0.023 nan 8.270 nan 0.000 0.437 487 V N 1.148 120.977 119.914 -0.142 0.000 2.407 487 V HA -0.178 3.945 4.120 0.005 0.000 0.248 487 V C 2.529 178.584 176.094 -0.065 0.000 1.055 487 V CA 2.151 64.359 62.300 -0.153 0.000 1.049 487 V CB -0.662 31.111 31.823 -0.083 0.000 0.662 487 V HN 0.360 nan 8.190 nan 0.000 0.455 488 R N -0.039 120.462 120.500 0.002 0.000 2.073 488 R HA -0.232 4.111 4.340 0.005 0.000 0.234 488 R C 2.481 178.770 176.300 -0.018 0.000 1.134 488 R CA 2.117 58.222 56.100 0.007 0.000 0.952 488 R CB -0.332 29.987 30.300 0.032 0.000 0.850 488 R HN 0.625 nan 8.270 nan 0.000 0.433 489 Q N 0.100 119.875 119.800 -0.042 0.000 2.030 489 Q HA -0.206 4.137 4.340 0.005 0.000 0.204 489 Q C 2.054 178.008 176.000 -0.077 0.000 0.986 489 Q CA 2.268 58.038 55.803 -0.054 0.000 0.843 489 Q CB -0.243 28.447 28.738 -0.080 0.000 0.904 489 Q HN 0.382 nan 8.270 nan 0.000 0.420 490 S N -0.006 115.591 115.700 -0.172 0.000 2.389 490 S HA -0.196 4.277 4.470 0.005 0.000 0.231 490 S C 1.829 176.394 174.600 -0.059 0.000 1.052 490 S CA 1.685 59.797 58.200 -0.146 0.000 1.053 490 S CB -0.338 62.766 63.200 -0.160 0.000 0.886 490 S HN 0.500 nan 8.310 nan 0.000 0.456 491 L N 0.245 121.438 121.223 -0.050 0.000 2.375 491 L HA 0.388 4.731 4.340 0.005 0.000 0.215 491 L C 1.139 177.986 176.870 -0.039 0.000 1.108 491 L CA -0.128 54.679 54.840 -0.055 0.000 0.830 491 L CB -0.195 41.846 42.059 -0.029 0.000 0.959 491 L HN 0.344 nan 8.230 nan 0.000 0.457 492 L N 0.426 121.663 121.223 0.023 0.000 2.416 492 L HA 0.115 4.458 4.340 0.005 0.000 0.272 492 L C -1.013 176.009 176.870 0.254 0.000 1.161 492 L CA 0.039 54.935 54.840 0.094 0.000 0.845 492 L CB 0.468 42.572 42.059 0.075 0.000 1.119 492 L HN -0.080 nan 8.230 nan 0.000 0.464 493 Y N 2.252 122.580 120.300 0.047 0.000 2.512 493 Y HA 0.308 4.861 4.550 0.005 0.000 0.348 493 Y C 0.251 176.188 175.900 0.061 0.000 0.990 493 Y CA -1.502 56.635 58.100 0.061 0.000 1.033 493 Y CB 2.181 40.694 38.460 0.089 0.000 1.259 493 Y HN 0.670 nan 8.280 nan 0.000 0.461 494 S N 2.558 118.321 115.700 0.105 0.000 2.593 494 S HA 0.242 4.715 4.470 0.005 0.000 0.269 494 S C 1.323 175.995 174.600 0.120 0.000 1.334 494 S CA -0.480 57.761 58.200 0.068 0.000 1.015 494 S CB 1.077 64.280 63.200 0.004 0.000 0.912 494 S HN 0.856 nan 8.310 nan 0.000 0.541 495 R N 0.733 121.308 120.500 0.125 0.000 2.105 495 R HA -0.152 4.191 4.340 0.005 0.000 0.239 495 R C 2.215 178.662 176.300 0.245 0.000 1.135 495 R CA 1.838 58.060 56.100 0.203 0.000 0.967 495 R CB -0.397 29.971 30.300 0.113 0.000 0.861 495 R HN 0.943 nan 8.270 nan 0.000 0.442 496 E N 0.284 120.563 120.200 0.131 0.000 2.051 496 E HA -0.249 4.104 4.350 0.005 0.000 0.192 496 E C 1.941 178.564 176.600 0.038 0.000 0.991 496 E CA 1.467 57.933 56.400 0.111 0.000 0.799 496 E CB 0.053 29.776 29.700 0.038 0.000 0.748 496 E HN 0.493 nan 8.360 nan 0.000 0.449 497 Q N -0.438 119.314 119.800 -0.080 0.000 2.030 497 Q HA -0.150 4.193 4.340 0.005 0.000 0.204 497 Q C 2.247 178.164 176.000 -0.139 0.000 0.986 497 Q CA 1.408 57.036 55.803 -0.292 0.000 0.843 497 Q CB -0.404 27.908 28.738 -0.709 0.000 0.904 497 Q HN 0.373 nan 8.270 nan 0.000 0.420 498 G N 0.760 109.641 108.800 0.134 0.000 2.514 498 G HA2 -0.301 3.662 3.960 0.005 0.000 0.217 498 G HA3 -0.301 3.662 3.960 0.005 0.000 0.217 498 G C 1.030 175.948 174.900 0.029 0.000 1.198 498 G CA 0.702 45.988 45.100 0.309 0.000 0.780 498 G HN 0.552 nan 8.290 nan 0.000 0.565 499 W N 1.533 122.706 121.300 -0.212 0.000 2.338 499 W HA -0.164 4.499 4.660 0.005 0.000 0.304 499 W C 2.272 178.678 176.519 -0.188 0.000 1.212 499 W CA 1.183 58.330 57.345 -0.331 0.000 1.264 499 W CB -0.066 29.335 29.460 -0.099 0.000 1.142 499 W HN 0.177 nan 8.180 nan 0.000 0.512 500 N N 0.587 119.136 118.700 -0.252 0.000 2.043 500 N HA -0.251 4.492 4.740 0.005 0.000 0.193 500 N C 1.900 177.212 175.510 -0.330 0.000 1.037 500 N CA 2.083 54.853 53.050 -0.465 0.000 0.851 500 N CB -1.009 37.053 38.487 -0.709 0.000 1.027 500 N HN 0.300 nan 8.380 nan 0.000 0.422 501 R N 0.956 121.384 120.500 -0.121 0.000 2.081 501 R HA 0.008 4.351 4.340 0.005 0.000 0.235 501 R C 2.274 178.595 176.300 0.035 0.000 1.131 501 R CA 0.917 57.098 56.100 0.135 0.000 0.960 501 R CB -0.388 30.066 30.300 0.256 0.000 0.856 501 R HN 0.163 nan 8.270 nan 0.000 0.436 502 I N 0.806 121.288 120.570 -0.147 0.000 2.208 502 I HA -0.345 3.828 4.170 0.005 0.000 0.245 502 I C 2.578 178.499 176.117 -0.326 0.000 1.097 502 I CA 1.549 62.698 61.300 -0.252 0.000 1.363 502 I CB -0.135 37.651 38.000 -0.357 0.000 1.051 502 I HN 0.324 nan 8.210 nan 0.000 0.413 503 M N -0.735 118.592 119.600 -0.456 0.000 2.065 503 M HA -0.298 4.185 4.480 0.005 0.000 0.259 503 M C 2.489 178.756 176.300 -0.054 0.000 1.071 503 M CA 2.200 57.330 55.300 -0.284 0.000 1.109 503 M CB -0.701 31.614 32.600 -0.476 0.000 1.313 503 M HN 0.257 nan 8.290 nan 0.000 0.408 504 Y N 0.431 120.668 120.300 -0.105 0.000 2.114 504 Y HA -0.331 4.222 4.550 0.005 0.000 0.282 504 Y C 2.325 178.226 175.900 0.002 0.000 1.165 504 Y CA 1.679 59.770 58.100 -0.016 0.000 1.148 504 Y CB -0.888 37.651 38.460 0.130 0.000 0.972 504 Y HN 0.289 nan 8.280 nan 0.000 0.504 505 C N 0.111 119.209 119.300 -0.337 0.000 2.489 505 C HA -0.102 4.361 4.460 0.005 0.000 0.279 505 C C 2.867 177.690 174.990 -0.280 0.000 1.266 505 C CA 1.081 59.870 59.018 -0.382 0.000 1.707 505 C CB -1.450 26.215 27.740 -0.126 0.000 2.059 505 C HN 0.630 nan 8.230 nan 0.000 0.481 506 L N -0.470 120.531 121.223 -0.370 0.000 1.994 506 L HA -0.127 4.216 4.340 0.005 0.000 0.208 506 L C 2.311 178.959 176.870 -0.369 0.000 1.071 506 L CA 1.930 56.438 54.840 -0.553 0.000 0.745 506 L CB -0.515 40.931 42.059 -1.020 0.000 0.892 506 L HN 0.324 nan 8.230 nan 0.000 0.431 507 F N -1.312 118.688 119.950 0.085 0.000 2.243 507 F HA 0.025 4.554 4.527 0.005 0.000 0.287 507 F C 2.238 178.183 175.800 0.242 0.000 1.067 507 F CA 0.538 58.720 58.000 0.302 0.000 1.304 507 F CB -0.057 39.111 39.000 0.280 0.000 1.087 507 F HN -0.155 nan 8.300 nan 0.000 0.513 508 I N -0.203 120.379 120.570 0.019 0.000 2.429 508 I HA -0.190 3.983 4.170 0.005 0.000 0.247 508 I C 2.376 178.474 176.117 -0.032 0.000 1.099 508 I CA 0.696 61.919 61.300 -0.128 0.000 1.422 508 I CB -0.406 37.381 38.000 -0.355 0.000 1.112 508 I HN 0.169 nan 8.210 nan 0.000 0.430 509 N N 0.534 119.074 118.700 -0.265 0.000 2.106 509 N HA -0.238 4.505 4.740 0.005 0.000 0.188 509 N C 1.783 177.241 175.510 -0.086 0.000 1.029 509 N CA 1.952 54.824 53.050 -0.296 0.000 0.848 509 N CB 0.024 38.064 38.487 -0.745 0.000 1.007 509 N HN 0.455 nan 8.380 nan 0.000 0.423 510 H N -0.541 118.461 119.070 -0.115 0.000 2.292 510 H HA 0.288 4.847 4.556 0.005 0.000 0.325 510 H C 2.253 177.559 175.328 -0.037 0.000 1.119 510 H CA 0.545 56.561 56.048 -0.053 0.000 1.617 510 H CB -0.137 29.595 29.762 -0.049 0.000 1.502 510 H HN -0.022 nan 8.280 nan 0.000 0.615 511 L N -0.171 121.246 121.223 0.323 0.000 2.131 511 L HA -0.149 4.194 4.340 0.005 0.000 0.210 511 L C 2.647 179.604 176.870 0.144 0.000 1.092 511 L CA 0.985 55.970 54.840 0.243 0.000 0.759 511 L CB -0.406 41.837 42.059 0.306 0.000 0.903 511 L HN 0.313 nan 8.230 nan 0.000 0.435 512 S N -0.488 115.449 115.700 0.396 0.000 2.374 512 S HA -0.191 4.282 4.470 0.005 0.000 0.227 512 S C 1.956 176.645 174.600 0.148 0.000 1.037 512 S CA 1.323 59.818 58.200 0.491 0.000 1.024 512 S CB -0.078 63.468 63.200 0.577 0.000 0.861 512 S HN 0.394 nan 8.310 nan 0.000 0.456 513 E N 0.398 120.623 120.200 0.041 0.000 2.072 513 E HA -0.069 4.284 4.350 0.005 0.000 0.191 513 E C 2.260 178.744 176.600 -0.194 0.000 0.985 513 E CA 1.344 57.709 56.400 -0.058 0.000 0.801 513 E CB -0.891 28.768 29.700 -0.068 0.000 0.750 513 E HN 0.534 nan 8.360 nan 0.000 0.452 514 T N 2.123 116.426 114.554 -0.419 0.000 2.607 514 T HA -0.163 4.190 4.350 0.005 0.000 0.267 514 T C 2.192 176.710 174.700 -0.303 0.000 1.049 514 T CA 1.389 63.077 62.100 -0.687 0.000 1.162 514 T CB -0.417 68.080 68.868 -0.619 0.000 0.863 514 T HN 0.097 nan 8.240 nan 0.000 0.424 515 I N 0.496 120.868 120.570 -0.331 0.000 2.194 515 I HA -0.173 4.000 4.170 0.005 0.000 0.246 515 I C 2.335 178.332 176.117 -0.200 0.000 1.093 515 I CA 0.917 61.964 61.300 -0.421 0.000 1.355 515 I CB -0.395 37.229 38.000 -0.626 0.000 1.046 515 I HN 0.126 nan 8.210 nan 0.000 0.413 516 L N 0.742 121.894 121.223 -0.118 0.000 2.046 516 L HA -0.147 4.196 4.340 0.005 0.000 0.208 516 L C 2.529 179.426 176.870 0.046 0.000 1.077 516 L CA 2.141 56.938 54.840 -0.071 0.000 0.747 516 L CB -0.823 41.150 42.059 -0.144 0.000 0.896 516 L HN 0.215 nan 8.230 nan 0.000 0.432 517 A N -0.982 121.862 122.820 0.039 0.000 1.898 517 A HA -0.133 4.190 4.320 0.005 0.000 0.216 517 A C 2.266 179.869 177.584 0.032 0.000 1.181 517 A CA 1.654 53.749 52.037 0.097 0.000 0.620 517 A CB -0.777 18.317 19.000 0.156 0.000 0.819 517 A HN 0.438 nan 8.150 nan 0.000 0.442 518 L N 0.321 121.529 121.223 -0.024 0.000 2.083 518 L HA -0.136 4.207 4.340 0.005 0.000 0.209 518 L C 2.358 179.190 176.870 -0.064 0.000 1.083 518 L CA 1.615 56.409 54.840 -0.075 0.000 0.752 518 L CB -0.213 41.796 42.059 -0.083 0.000 0.899 518 L HN 0.590 nan 8.230 nan 0.000 0.433 519 S N -2.042 113.633 115.700 -0.041 0.000 2.568 519 S HA 0.028 4.501 4.470 0.005 0.000 0.232 519 S C 0.756 175.375 174.600 0.032 0.000 0.975 519 S CA -0.507 57.677 58.200 -0.028 0.000 0.949 519 S CB -0.008 63.155 63.200 -0.062 0.000 0.829 519 S HN 0.253 nan 8.310 nan 0.000 0.479 520 Q N 1.670 121.504 119.800 0.058 0.000 2.262 520 Q HA 0.213 4.556 4.340 0.005 0.000 0.298 520 Q C 1.282 177.218 176.000 -0.106 0.000 1.083 520 Q CA 1.705 57.475 55.803 -0.055 0.000 0.962 520 Q CB 0.046 28.682 28.738 -0.170 0.000 1.104 520 Q HN 0.834 nan 8.270 nan 0.000 0.376 521 G N 4.824 113.554 108.800 -0.117 0.000 2.205 521 G HA2 -0.305 3.658 3.960 0.005 0.000 0.261 521 G HA3 -0.305 3.658 3.960 0.005 0.000 0.261 521 G C 0.417 175.296 174.900 -0.035 0.000 0.980 521 G CA 0.453 45.507 45.100 -0.077 0.000 0.632 521 G HN 0.621 nan 8.290 nan 0.000 0.533 522 R N 0.317 120.804 120.500 -0.021 0.000 2.701 522 R HA 0.266 4.609 4.340 0.005 0.000 0.281 522 R C -1.715 174.583 176.300 -0.003 0.000 1.367 522 R CA -0.914 55.179 56.100 -0.012 0.000 1.510 522 R CB 1.266 31.554 30.300 -0.020 0.000 1.306 522 R HN 0.199 nan 8.270 nan 0.000 0.682 523 P HA -0.224 nan 4.420 nan 0.000 0.228 523 P C 0.798 178.099 177.300 0.001 0.000 1.151 523 P CA 1.037 64.145 63.100 0.013 0.000 0.770 523 P CB 0.403 32.115 31.700 0.020 0.000 0.786 524 Q N -0.111 119.690 119.800 0.001 0.000 2.436 524 Q HA -0.045 4.298 4.340 0.005 0.000 0.209 524 Q C 1.935 177.935 176.000 0.000 0.000 0.965 524 Q CA 0.910 56.715 55.803 0.003 0.000 0.910 524 Q CB -1.178 27.564 28.738 0.007 0.000 0.980 524 Q HN 0.332 nan 8.270 nan 0.000 0.491 525 L N 0.413 121.628 121.223 -0.015 0.000 2.240 525 L HA 0.043 4.386 4.340 0.005 0.000 0.211 525 L C 2.587 179.419 176.870 -0.063 0.000 1.106 525 L CA 0.630 55.449 54.840 -0.034 0.000 0.793 525 L CB -0.638 41.391 42.059 -0.051 0.000 0.927 525 L HN 0.200 nan 8.230 nan 0.000 0.446 526 A N 1.197 123.988 122.820 -0.049 0.000 1.865 526 A HA -0.131 4.192 4.320 0.005 0.000 0.217 526 A C -0.006 177.621 177.584 0.072 0.000 1.191 526 A CA 1.679 53.691 52.037 -0.042 0.000 0.623 526 A CB -1.800 17.219 19.000 0.031 0.000 0.826 526 A HN 0.255 nan 8.150 nan 0.000 0.444 527 P HA -0.164 nan 4.420 nan 0.000 0.216 527 P C 1.462 178.849 177.300 0.144 0.000 1.153 527 P CA 1.045 64.232 63.100 0.145 0.000 0.858 527 P CB -0.215 31.530 31.700 0.076 0.000 0.789 528 L N -2.109 119.156 121.223 0.069 0.000 2.083 528 L HA -0.154 4.189 4.340 0.005 0.000 0.209 528 L C 2.608 179.510 176.870 0.053 0.000 1.083 528 L CA 1.498 56.374 54.840 0.060 0.000 0.752 528 L CB -0.862 41.218 42.059 0.036 0.000 0.899 528 L HN -0.020 nan 8.230 nan 0.000 0.433 529 M N -1.930 117.629 119.600 -0.069 0.000 2.132 529 M HA -0.200 4.283 4.480 0.005 0.000 0.263 529 M C 2.153 178.419 176.300 -0.056 0.000 1.065 529 M CA 1.988 57.144 55.300 -0.240 0.000 1.122 529 M CB -0.550 31.508 32.600 -0.903 0.000 1.365 529 M HN 0.282 nan 8.290 nan 0.000 0.411 530 W N 0.552 121.901 121.300 0.081 0.000 2.402 530 W HA -0.073 4.590 4.660 0.005 0.000 0.286 530 W C 2.717 179.317 176.519 0.135 0.000 1.221 530 W CA 0.557 58.040 57.345 0.230 0.000 1.257 530 W CB -0.137 29.489 29.460 0.277 0.000 1.120 530 W HN 0.199 nan 8.180 nan 0.000 0.551 531 R N 0.739 121.429 120.500 0.316 0.000 2.092 531 R HA -0.173 4.170 4.340 0.005 0.000 0.231 531 R C 2.253 178.586 176.300 0.055 0.000 1.119 531 R CA 1.338 57.518 56.100 0.134 0.000 0.970 531 R CB -0.232 30.140 30.300 0.120 0.000 0.864 531 R HN -0.078 nan 8.270 nan 0.000 0.440 532 R N 0.326 120.902 120.500 0.126 0.000 2.120 532 R HA -0.047 4.296 4.340 0.005 0.000 0.234 532 R C 1.943 178.310 176.300 0.110 0.000 1.123 532 R CA 1.335 57.512 56.100 0.129 0.000 0.975 532 R CB -0.663 29.771 30.300 0.224 0.000 0.866 532 R HN 0.139 nan 8.270 nan 0.000 0.446 533 V N 0.590 120.609 119.914 0.175 0.000 2.358 533 V HA -0.223 3.900 4.120 0.005 0.000 0.246 533 V C 2.435 178.451 176.094 -0.130 0.000 1.047 533 V CA 2.074 64.471 62.300 0.161 0.000 1.035 533 V CB -0.583 31.526 31.823 0.476 0.000 0.658 533 V HN 0.462 nan 8.190 nan 0.000 0.452 534 Q N -0.018 119.495 119.800 -0.479 0.000 2.030 534 Q HA -0.305 4.038 4.340 0.005 0.000 0.204 534 Q C 2.325 178.150 176.000 -0.293 0.000 0.986 534 Q CA 2.347 57.720 55.803 -0.717 0.000 0.843 534 Q CB -0.196 27.977 28.738 -0.941 0.000 0.904 534 Q HN 0.694 nan 8.270 nan 0.000 0.420 535 Q N -0.205 119.495 119.800 -0.166 0.000 2.077 535 Q HA -0.285 4.058 4.340 0.005 0.000 0.206 535 Q C 2.162 178.133 176.000 -0.048 0.000 0.989 535 Q CA 1.820 57.575 55.803 -0.079 0.000 0.853 535 Q CB -0.179 28.538 28.738 -0.034 0.000 0.907 535 Q HN 0.359 nan 8.270 nan 0.000 0.418 536 Q N 0.819 120.604 119.800 -0.025 0.000 2.135 536 Q HA -0.142 4.201 4.340 0.005 0.000 0.204 536 Q C 1.768 177.783 176.000 0.024 0.000 0.981 536 Q CA 1.427 57.233 55.803 0.005 0.000 0.856 536 Q CB -0.185 28.567 28.738 0.023 0.000 0.902 536 Q HN 0.416 nan 8.270 nan 0.000 0.425 537 L N -0.641 120.594 121.223 0.021 0.000 2.056 537 L HA -0.135 4.208 4.340 0.005 0.000 0.207 537 L C 2.550 179.432 176.870 0.021 0.000 1.078 537 L CA 1.428 56.306 54.840 0.065 0.000 0.749 537 L CB -0.334 41.765 42.059 0.068 0.000 0.901 537 L HN 0.145 nan 8.230 nan 0.000 0.433 538 R N -0.127 120.359 120.500 -0.024 0.000 2.091 538 R HA -0.182 4.161 4.340 0.005 0.000 0.238 538 R C 2.412 178.700 176.300 -0.020 0.000 1.136 538 R CA 1.447 57.529 56.100 -0.029 0.000 0.959 538 R CB -0.528 29.747 30.300 -0.041 0.000 0.856 538 R HN 0.399 nan 8.270 nan 0.000 0.437 539 A N 1.174 123.988 122.820 -0.011 0.000 1.835 539 A HA -0.179 4.144 4.320 0.005 0.000 0.215 539 A C 2.151 179.735 177.584 -0.000 0.000 1.199 539 A CA 1.427 53.461 52.037 -0.006 0.000 0.615 539 A CB -0.678 18.320 19.000 -0.002 0.000 0.838 539 A HN 0.205 nan 8.150 nan 0.000 0.444 540 I N -0.338 120.242 120.570 0.017 0.000 2.145 540 I HA -0.409 3.764 4.170 0.005 0.000 0.244 540 I C 2.858 178.978 176.117 0.005 0.000 1.075 540 I CA 2.167 63.486 61.300 0.032 0.000 1.332 540 I CB -0.445 37.602 38.000 0.078 0.000 1.033 540 I HN 0.614 nan 8.210 nan 0.000 0.410 541 Q N 0.941 120.727 119.800 -0.022 0.000 2.029 541 Q HA -0.246 4.097 4.340 0.005 0.000 0.209 541 Q C 2.088 178.045 176.000 -0.072 0.000 0.999 541 Q CA 2.276 58.028 55.803 -0.084 0.000 0.857 541 Q CB -0.533 28.148 28.738 -0.094 0.000 0.926 541 Q HN 0.575 nan 8.270 nan 0.000 0.415 542 G N -0.088 108.683 108.800 -0.048 0.000 2.653 542 G HA2 -0.220 3.743 3.960 0.005 0.000 0.212 542 G HA3 -0.220 3.743 3.960 0.005 0.000 0.212 542 G C 0.950 175.834 174.900 -0.027 0.000 1.138 542 G CA 0.560 45.636 45.100 -0.039 0.000 0.782 542 G HN 0.546 nan 8.290 nan 0.000 0.535 543 E N -0.708 119.480 120.200 -0.020 0.000 2.476 543 E HA 0.195 4.548 4.350 0.005 0.000 0.199 543 E C 0.424 177.022 176.600 -0.004 0.000 1.021 543 E CA -0.357 56.040 56.400 -0.004 0.000 0.907 543 E CB 0.110 29.816 29.700 0.010 0.000 0.974 543 E HN 0.277 nan 8.360 nan 0.000 0.489 544 L N 1.255 122.464 121.223 -0.024 0.000 2.357 544 L HA 0.249 4.592 4.340 0.005 0.000 0.273 544 L C 1.051 177.897 176.870 -0.040 0.000 1.080 544 L CA -0.515 54.309 54.840 -0.027 0.000 0.803 544 L CB 1.186 43.205 42.059 -0.067 0.000 1.174 544 L HN -0.147 nan 8.230 nan 0.000 0.443 545 K N 0.974 121.352 120.400 -0.037 0.000 2.374 545 K HA 0.215 4.538 4.320 0.005 0.000 0.196 545 K C -0.120 176.441 176.600 -0.066 0.000 1.023 545 K CA 0.190 56.448 56.287 -0.050 0.000 1.103 545 K CB 0.563 33.032 32.500 -0.051 0.000 0.848 545 K HN 0.446 nan 8.250 nan 0.000 0.528 546 Q N 0.186 119.945 119.800 -0.068 0.000 2.389 546 Q HA 0.396 4.739 4.340 0.005 0.000 0.277 546 Q C -2.637 173.308 176.000 -0.091 0.000 1.082 546 Q CA -2.191 53.569 55.803 -0.072 0.000 0.810 546 Q CB 1.997 30.693 28.738 -0.070 0.000 1.374 546 Q HN -0.134 nan 8.270 nan 0.000 0.422 547 P HA -0.015 nan 4.420 nan 0.000 0.266 547 P C -0.416 176.786 177.300 -0.163 0.000 1.186 547 P CA 0.435 63.464 63.100 -0.118 0.000 0.767 547 P CB 0.459 32.108 31.700 -0.085 0.000 0.820 548 S N 1.274 116.803 115.700 -0.284 0.000 2.399 548 S HA 0.280 4.753 4.470 0.005 0.000 0.198 548 S C -1.820 172.567 174.600 -0.355 0.000 1.294 548 S CA -0.971 56.896 58.200 -0.555 0.000 1.237 548 S CB 0.495 62.999 63.200 -1.159 0.000 1.286 548 S HN 0.226 nan 8.310 nan 0.000 0.404 549 P HA -0.082 nan 4.420 nan 0.000 0.220 549 P C 0.859 178.064 177.300 -0.158 0.000 1.148 549 P CA 1.295 64.310 63.100 -0.141 0.000 0.803 549 P CB 0.108 31.750 31.700 -0.095 0.000 0.782 550 E N -0.516 119.550 120.200 -0.224 0.000 2.204 550 E HA -0.120 4.233 4.350 0.005 0.000 0.195 550 E C 1.901 178.356 176.600 -0.242 0.000 0.990 550 E CA 0.573 56.730 56.400 -0.405 0.000 0.821 550 E CB -0.953 28.038 29.700 -1.182 0.000 0.750 550 E HN 0.166 nan 8.360 nan 0.000 0.477 551 L N 0.750 121.832 121.223 -0.235 0.000 2.095 551 L HA -0.071 4.272 4.340 0.005 0.000 0.204 551 L C 1.029 177.911 176.870 0.019 0.000 1.080 551 L CA 1.604 56.411 54.840 -0.055 0.000 0.759 551 L CB -0.358 41.537 42.059 -0.273 0.000 0.914 551 L HN -0.034 nan 8.230 nan 0.000 0.439 552 D N 0.161 120.528 120.400 -0.056 0.000 2.126 552 D HA -0.256 4.387 4.640 0.005 0.000 0.190 552 D C 2.215 178.549 176.300 0.058 0.000 1.001 552 D CA 1.739 55.732 54.000 -0.012 0.000 0.841 552 D CB -0.540 40.236 40.800 -0.040 0.000 0.949 552 D HN 0.422 nan 8.370 nan 0.000 0.446 553 A N 0.636 123.486 122.820 0.049 0.000 1.865 553 A HA -0.180 4.143 4.320 0.005 0.000 0.217 553 A C 2.154 179.879 177.584 0.236 0.000 1.191 553 A CA 1.540 53.627 52.037 0.083 0.000 0.623 553 A CB -0.930 18.051 19.000 -0.032 0.000 0.826 553 A HN 0.249 nan 8.150 nan 0.000 0.444 554 L N 0.063 121.484 121.223 0.331 0.000 1.989 554 L HA -0.168 4.175 4.340 0.005 0.000 0.211 554 L C 2.290 179.451 176.870 0.485 0.000 1.071 554 L CA 1.969 57.061 54.840 0.419 0.000 0.749 554 L CB -0.655 41.728 42.059 0.540 0.000 0.890 554 L HN 0.464 nan 8.230 nan 0.000 0.431 555 I N -0.145 120.634 120.570 0.348 0.000 2.118 555 I HA -0.355 3.818 4.170 0.005 0.000 0.241 555 I C 2.533 178.839 176.117 0.316 0.000 1.070 555 I CA 1.534 62.985 61.300 0.253 0.000 1.327 555 I CB -0.745 37.303 38.000 0.080 0.000 1.034 555 I HN 0.375 nan 8.210 nan 0.000 0.405 556 A N 0.295 123.251 122.820 0.228 0.000 2.139 556 A HA -0.014 4.309 4.320 0.005 0.000 0.221 556 A C 1.868 179.580 177.584 0.214 0.000 1.159 556 A CA 1.363 53.511 52.037 0.185 0.000 0.662 556 A CB -1.005 18.069 19.000 0.123 0.000 0.796 556 A HN 0.770 nan 8.150 nan 0.000 0.463 557 G N -2.001 106.957 108.800 0.263 0.000 2.141 557 G HA2 -0.221 3.742 3.960 0.005 0.000 0.195 557 G HA3 -0.221 3.742 3.960 0.005 0.000 0.195 557 G C -0.009 174.894 174.900 0.006 0.000 1.012 557 G CA 0.332 45.469 45.100 0.063 0.000 0.696 557 G HN 1.096 nan 8.290 nan 0.000 0.508 558 H N 1.266 120.341 119.070 0.009 0.000 2.790 558 H HA 0.492 5.051 4.556 0.005 0.000 0.358 558 H C -1.831 173.471 175.328 -0.043 0.000 1.103 558 H CA -0.355 55.697 56.048 0.006 0.000 1.426 558 H CB 0.695 30.500 29.762 0.072 0.000 1.424 558 H HN 0.188 nan 8.280 nan 0.000 0.599 559 P HA -0.024 nan 4.420 nan 0.000 0.268 559 P C -0.954 176.207 177.300 -0.232 0.000 1.208 559 P CA -0.020 62.842 63.100 -0.396 0.000 0.777 559 P CB 0.601 32.060 31.700 -0.402 0.000 0.875 560 V N 1.751 121.586 119.914 -0.132 0.000 2.513 560 V HA 0.541 4.664 4.120 0.005 0.000 0.299 560 V C 0.417 176.431 176.094 -0.134 0.000 1.035 560 V CA -0.909 61.320 62.300 -0.118 0.000 0.889 560 V CB 1.317 33.055 31.823 -0.142 0.000 0.988 560 V HN 0.673 nan 8.190 nan 0.000 0.440 561 A N 3.246 125.989 122.820 -0.128 0.000 2.425 561 A HA 0.467 4.790 4.320 0.005 0.000 0.249 561 A C -0.030 177.581 177.584 0.046 0.000 1.084 561 A CA -0.054 51.941 52.037 -0.069 0.000 0.781 561 A CB 0.269 19.151 19.000 -0.195 0.000 1.019 561 A HN 1.044 nan 8.150 nan 0.000 0.490 562 C N 3.651 123.025 119.300 0.124 0.000 2.442 562 C HA 0.525 4.988 4.460 0.005 0.000 0.335 562 C C 0.023 174.947 174.990 -0.110 0.000 1.134 562 C CA -0.850 58.210 59.018 0.070 0.000 1.344 562 C CB -0.179 27.540 27.740 -0.035 0.000 1.956 562 C HN 0.980 nan 8.230 nan 0.000 0.438 563 K N 4.009 124.103 120.400 -0.510 0.000 2.368 563 K HA 0.370 4.693 4.320 0.005 0.000 0.282 563 K C 0.519 176.714 176.600 -0.675 0.000 1.035 563 K CA 0.310 55.993 56.287 -1.006 0.000 0.973 563 K CB 0.728 32.312 32.500 -1.527 0.000 0.957 563 K HN 0.836 nan 8.250 nan 0.000 0.474 564 T N 1.352 115.577 114.554 -0.547 0.000 2.882 564 T HA 0.265 4.618 4.350 0.005 0.000 0.287 564 T C 0.352 174.832 174.700 -0.366 0.000 0.992 564 T CA -0.864 61.003 62.100 -0.388 0.000 1.076 564 T CB 1.270 69.930 68.868 -0.346 0.000 0.961 564 T HN 0.564 nan 8.240 nan 0.000 0.490 565 N N 0.311 118.816 118.700 -0.326 0.000 2.382 565 N HA 0.198 4.941 4.740 0.005 0.000 0.200 565 N C 1.063 176.379 175.510 -0.324 0.000 1.122 565 N CA -0.126 52.687 53.050 -0.395 0.000 0.870 565 N CB 0.039 38.196 38.487 -0.550 0.000 1.176 565 N HN 0.491 nan 8.380 nan 0.000 0.474 566 L N 0.994 122.095 121.223 -0.203 0.000 2.269 566 L HA 0.280 4.623 4.340 0.005 0.000 0.200 566 L C 1.952 178.805 176.870 -0.028 0.000 1.069 566 L CA 1.428 56.221 54.840 -0.078 0.000 0.804 566 L CB -0.271 41.819 42.059 0.053 0.000 0.987 566 L HN -0.109 nan 8.230 nan 0.000 0.468 567 K N -1.011 119.333 120.400 -0.093 0.000 2.097 567 K HA -0.164 4.159 4.320 0.005 0.000 0.206 567 K C 2.066 178.621 176.600 -0.075 0.000 1.049 567 K CA 1.602 57.839 56.287 -0.083 0.000 0.933 567 K CB -0.215 32.077 32.500 -0.347 0.000 0.717 567 K HN 0.241 nan 8.250 nan 0.000 0.442 568 V N 1.681 121.515 119.914 -0.134 0.000 2.392 568 V HA -0.238 3.885 4.120 0.005 0.000 0.249 568 V C 2.128 178.179 176.094 -0.071 0.000 1.059 568 V CA 1.661 63.890 62.300 -0.118 0.000 1.051 568 V CB -0.356 31.367 31.823 -0.167 0.000 0.658 568 V HN 0.374 nan 8.190 nan 0.000 0.455 569 R N -0.067 120.394 120.500 -0.066 0.000 2.148 569 R HA 0.034 4.377 4.340 0.005 0.000 0.227 569 R C 1.324 177.619 176.300 -0.008 0.000 1.103 569 R CA 0.891 56.969 56.100 -0.037 0.000 0.983 569 R CB -0.599 29.677 30.300 -0.039 0.000 0.874 569 R HN 0.458 nan 8.270 nan 0.000 0.451 570 L N 0.606 121.836 121.223 0.011 0.000 3.036 570 L HA 0.405 4.748 4.340 0.005 0.000 0.237 570 L C 0.199 177.087 176.870 0.029 0.000 1.319 570 L CA -0.356 54.501 54.840 0.028 0.000 1.112 570 L CB 0.460 42.555 42.059 0.060 0.000 1.480 570 L HN 0.001 nan 8.230 nan 0.000 0.506 579 S N -0.965 114.647 115.700 -0.146 0.000 2.421 579 S HA 0.296 4.769 4.470 0.005 0.000 0.224 579 S C 0.446 174.740 174.600 -0.509 0.000 1.035 579 S CA 0.500 58.517 58.200 -0.306 0.000 0.953 579 S CB -0.370 62.654 63.200 -0.294 0.000 0.810 579 S HN 0.423 nan 8.310 nan 0.000 0.497 580 Y N 1.876 122.081 120.300 -0.158 0.000 2.377 580 Y HA 0.631 5.184 4.550 0.005 0.000 0.339 580 Y C 0.303 176.111 175.900 -0.154 0.000 1.011 580 Y CA -1.104 56.895 58.100 -0.167 0.000 1.093 580 Y CB 1.824 40.206 38.460 -0.131 0.000 1.201 580 Y HN 0.104 nan 8.280 nan 0.000 0.455 581 V N 0.134 120.035 119.914 -0.021 0.000 3.302 581 V HA 0.706 4.829 4.120 0.005 0.000 0.304 581 V C -0.562 175.512 176.094 -0.034 0.000 1.209 581 V CA -1.404 60.860 62.300 -0.059 0.000 1.032 581 V CB 1.917 33.657 31.823 -0.137 0.000 1.219 581 V HN 0.611 nan 8.190 nan 0.000 0.469 582 R N 0.842 121.304 120.500 -0.063 0.000 2.476 582 R HA 0.642 4.985 4.340 0.005 0.000 0.305 582 R C -1.543 174.713 176.300 -0.073 0.000 0.965 582 R CA -0.456 55.600 56.100 -0.072 0.000 0.867 582 R CB 1.784 32.033 30.300 -0.084 0.000 1.176 582 R HN 0.675 nan 8.270 nan 0.000 0.447 583 L N 4.415 125.603 121.223 -0.059 0.000 2.317 583 L HA 0.462 4.805 4.340 0.005 0.000 0.281 583 L C -2.142 174.742 176.870 0.023 0.000 1.024 583 L CA -2.286 52.562 54.840 0.015 0.000 0.810 583 L CB 1.961 44.072 42.059 0.086 0.000 1.240 583 L HN 0.164 nan 8.230 nan 0.000 0.427 584 P HA -0.022 nan 4.420 nan 0.000 0.265 584 P C -0.197 176.942 177.300 -0.269 0.000 1.193 584 P CA 0.106 63.116 63.100 -0.151 0.000 0.765 584 P CB 0.687 32.293 31.700 -0.157 0.000 0.823 585 S N 4.096 119.552 115.700 -0.406 0.000 2.558 585 S HA 0.053 4.526 4.470 0.005 0.000 0.291 585 S C -1.318 172.661 174.600 -1.034 0.000 1.306 585 S CA -0.803 56.913 58.200 -0.807 0.000 1.056 585 S CB -0.278 62.439 63.200 -0.804 0.000 0.836 585 S HN 0.314 nan 8.310 nan 0.000 0.504 586 P HA 0.176 nan 4.420 nan 0.000 0.245 586 P C -0.586 176.417 177.300 -0.495 0.000 1.212 586 P CA 0.310 62.735 63.100 -1.126 0.000 0.774 586 P CB -0.101 30.600 31.700 -1.665 0.000 0.999 587 W N 0.000 121.133 121.300 -0.278 0.000 2.388 587 W HA 0.000 4.663 4.660 0.005 0.000 0.303 587 W CA 0.000 57.267 57.345 -0.130 0.000 1.226 587 W CB 0.000 29.424 29.460 -0.060 0.000 1.126 587 W HN 0.000 nan 8.180 nan 0.000 0.535