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 2wsx_1_B DATA FIRST_RESID 8 DATA SEQUENCE TGIEPKVFFP PLIIVGILCW LTVRDLDAAN VVINAVFSYV TNVWGWAFEW DATA SEQUENCE YMVVMLFGWF WLVFGPYAKK RLGEEPPEFS TASWIFMMFA SCTSAAVLFW DATA SEQUENCE GSIEIYYYIS TPPFGLEPNS TGAKELGLAY SLFHWGPLPW ATYSFLSVAF DATA SEQUENCE AYFFFVRKME VIRPSSTLVP LVGEKHAKGL FGTIVDNFYL VALIFAMGTS DATA SEQUENCE LGLATPLVTE CMQWLFGIPH TLQLDAIIIT CWIILNAICV ACGLQKAVRI DATA SEQUENCE ASDVRSYLSF LMLGWVFIVS GASFIMNYFT DSVGMLLMYL PRMLFYTDPI DATA SEQUENCE AKGGFPQGWT VFYWAWWVIY AIQMSIFLAR ISRGRTVREL CFGMVLGLTA DATA SEQUENCE STWILWTVLG SNTLLLIDKN ILNIPNLIEQ YGVARAIIET WAALPLSTAT DATA SEQUENCE MWGFFILCFI ATVTLVNACS YTLAMSTCRE VRDGEDPPLL VRIGWSILVG DATA SEQUENCE IIGIVLLALG GLKPIQTAII AGGCPLFFVN IMVTLSFIKD AKQNWK 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 8 T HA 0.000 nan 4.350 nan 0.000 0.228 8 T C 0.000 174.690 174.700 -0.017 0.000 1.109 8 T CA 0.000 62.094 62.100 -0.010 0.000 1.349 8 T CB 0.000 68.862 68.868 -0.011 0.000 0.612 9 G N 0.776 109.567 108.800 -0.016 0.000 2.684 9 G HA2 0.595 4.556 3.960 0.002 0.000 0.255 9 G HA3 0.595 4.556 3.960 0.002 0.000 0.255 9 G C -0.007 174.870 174.900 -0.039 0.000 1.219 9 G CA -0.578 44.505 45.100 -0.027 0.000 0.901 9 G HN 0.703 nan 8.290 nan 0.000 0.548 10 I N 0.443 120.967 120.570 -0.077 0.000 2.697 10 I HA 0.150 4.321 4.170 0.002 0.000 0.279 10 I C 0.313 176.367 176.117 -0.105 0.000 1.171 10 I CA -0.242 60.979 61.300 -0.132 0.000 1.135 10 I CB 0.939 38.730 38.000 -0.348 0.000 1.445 10 I HN 0.527 nan 8.210 nan 0.000 0.541 11 E N 5.522 125.719 120.200 -0.004 0.000 2.608 11 E HA -0.063 4.288 4.350 0.002 0.000 0.259 11 E C -1.571 175.068 176.600 0.065 0.000 0.951 11 E CA -0.742 55.680 56.400 0.037 0.000 0.945 11 E CB 0.998 30.732 29.700 0.058 0.000 0.916 11 E HN 0.278 nan 8.360 nan 0.000 0.477 12 P HA -0.065 nan 4.420 nan 0.000 0.224 12 P C 0.466 177.939 177.300 0.288 0.000 1.159 12 P CA 0.910 64.149 63.100 0.231 0.000 0.824 12 P CB 0.100 32.035 31.700 0.392 0.000 0.833 13 K N 0.107 120.622 120.400 0.193 0.000 2.360 13 K HA -0.002 4.319 4.320 0.002 0.000 0.201 13 K C 0.880 177.558 176.600 0.131 0.000 1.046 13 K CA 1.378 57.757 56.287 0.153 0.000 0.945 13 K CB -0.660 31.902 32.500 0.104 0.000 0.750 13 K HN 0.021 nan 8.250 nan 0.000 0.464 14 V N -0.369 119.628 119.914 0.138 0.000 3.432 14 V HA 0.116 4.237 4.120 0.002 0.000 0.298 14 V C 0.856 177.043 176.094 0.155 0.000 1.464 14 V CA -0.268 62.097 62.300 0.109 0.000 1.046 14 V CB -0.232 31.636 31.823 0.075 0.000 0.887 14 V HN 0.293 nan 8.190 nan 0.000 0.441 15 F N -0.102 119.855 119.950 0.012 0.000 2.343 15 F HA 0.195 4.723 4.527 0.002 0.000 0.286 15 F C 1.821 177.583 175.800 -0.063 0.000 1.057 15 F CA 1.145 59.124 58.000 -0.034 0.000 1.365 15 F CB 0.208 39.003 39.000 -0.342 0.000 1.114 15 F HN 0.089 nan 8.300 nan 0.000 0.545 16 F N 1.155 121.322 119.950 0.360 0.000 2.094 16 F HA 0.120 4.648 4.527 0.002 0.000 0.291 16 F C -0.546 175.314 175.800 0.100 0.000 1.109 16 F CA 0.643 58.782 58.000 0.232 0.000 1.221 16 F CB -2.426 36.699 39.000 0.207 0.000 1.014 16 F HN -0.105 nan 8.300 nan 0.000 0.473 17 P HA -0.171 nan 4.420 nan 0.000 0.216 17 P C -1.454 175.895 177.300 0.082 0.000 1.157 17 P CA 2.251 65.427 63.100 0.125 0.000 0.880 17 P CB -1.276 30.461 31.700 0.062 0.000 0.791 18 P HA -0.189 nan 4.420 nan 0.000 0.208 18 P C 1.715 179.071 177.300 0.094 0.000 1.180 18 P CA 0.968 64.100 63.100 0.055 0.000 0.935 18 P CB -0.693 31.054 31.700 0.079 0.000 0.785 19 L N -0.657 120.631 121.223 0.108 0.000 2.010 19 L HA -0.238 4.103 4.340 0.002 0.000 0.219 19 L C 2.334 179.243 176.870 0.066 0.000 1.077 19 L CA 1.820 56.665 54.840 0.008 0.000 0.773 19 L CB -1.548 40.393 42.059 -0.195 0.000 0.892 19 L HN -0.068 nan 8.230 nan 0.000 0.436 20 I N -0.975 119.663 120.570 0.115 0.000 2.053 20 I HA -0.413 3.758 4.170 0.002 0.000 0.236 20 I C 2.479 178.661 176.117 0.108 0.000 1.038 20 I CA 2.157 63.523 61.300 0.110 0.000 1.304 20 I CB -0.485 37.583 38.000 0.114 0.000 1.023 20 I HN 0.254 nan 8.210 nan 0.000 0.395 21 I N 0.267 120.897 120.570 0.101 0.000 2.145 21 I HA -0.317 3.854 4.170 0.002 0.000 0.244 21 I C 2.591 178.796 176.117 0.146 0.000 1.075 21 I CA 1.546 62.915 61.300 0.115 0.000 1.332 21 I CB -0.499 37.553 38.000 0.087 0.000 1.033 21 I HN 0.125 nan 8.210 nan 0.000 0.410 22 V N 1.068 121.041 119.914 0.098 0.000 2.343 22 V HA -0.230 3.891 4.120 0.002 0.000 0.247 22 V C 2.591 178.784 176.094 0.165 0.000 1.051 22 V CA 2.220 64.584 62.300 0.107 0.000 1.036 22 V CB -1.393 30.444 31.823 0.022 0.000 0.654 22 V HN 0.586 nan 8.190 nan 0.000 0.451 23 G N -0.080 108.802 108.800 0.137 0.000 2.433 23 G HA2 -0.216 3.745 3.960 0.002 0.000 0.216 23 G HA3 -0.216 3.745 3.960 0.002 0.000 0.216 23 G C 1.570 176.615 174.900 0.241 0.000 1.186 23 G CA 1.113 46.303 45.100 0.150 0.000 0.779 23 G HN 0.461 nan 8.290 nan 0.000 0.543 24 I N 0.542 121.261 120.570 0.248 0.000 2.091 24 I HA -0.221 3.950 4.170 0.002 0.000 0.239 24 I C 2.803 179.104 176.117 0.307 0.000 1.061 24 I CA 1.077 62.594 61.300 0.361 0.000 1.317 24 I CB -0.338 37.819 38.000 0.262 0.000 1.031 24 I HN 0.134 nan 8.210 nan 0.000 0.401 25 L N -0.510 120.845 121.223 0.220 0.000 2.056 25 L HA -0.254 4.087 4.340 0.002 0.000 0.207 25 L C 2.802 179.762 176.870 0.150 0.000 1.078 25 L CA 1.033 55.969 54.840 0.160 0.000 0.749 25 L CB -0.719 41.467 42.059 0.211 0.000 0.901 25 L HN 0.443 nan 8.230 nan 0.000 0.433 26 C N -0.425 119.003 119.300 0.212 0.000 2.432 26 C HA -0.219 4.242 4.460 0.002 0.000 0.277 26 C C 2.733 177.842 174.990 0.199 0.000 1.249 26 C CA 0.496 59.629 59.018 0.192 0.000 1.725 26 C CB -0.811 27.050 27.740 0.202 0.000 2.028 26 C HN 0.790 nan 8.230 nan 0.000 0.477 27 W N 1.272 122.603 121.300 0.053 0.000 2.329 27 W HA -0.107 4.554 4.660 0.002 0.000 0.324 27 W C 2.045 178.581 176.519 0.027 0.000 1.222 27 W CA 1.644 59.011 57.345 0.036 0.000 1.270 27 W CB -1.151 28.330 29.460 0.034 0.000 1.167 27 W HN 0.272 nan 8.180 nan 0.000 0.467 28 L N 0.510 121.499 121.223 -0.390 0.000 2.151 28 L HA -0.340 4.001 4.340 0.002 0.000 0.215 28 L C 2.311 179.013 176.870 -0.281 0.000 1.084 28 L CA 2.116 56.633 54.840 -0.539 0.000 0.764 28 L CB -1.318 40.550 42.059 -0.320 0.000 0.891 28 L HN 0.089 nan 8.230 nan 0.000 0.435 29 T N -1.335 113.142 114.554 -0.128 0.000 2.937 29 T HA -0.051 4.300 4.350 0.002 0.000 0.260 29 T C 1.928 176.590 174.700 -0.063 0.000 1.051 29 T CA 1.099 63.151 62.100 -0.080 0.000 1.141 29 T CB -0.004 68.842 68.868 -0.035 0.000 0.879 29 T HN 0.121 nan 8.240 nan 0.000 0.459 30 V N 1.732 121.630 119.914 -0.027 0.000 2.453 30 V HA -0.104 4.017 4.120 0.002 0.000 0.247 30 V C 2.511 178.591 176.094 -0.023 0.000 1.048 30 V CA 1.443 63.748 62.300 0.008 0.000 1.049 30 V CB -0.762 31.111 31.823 0.083 0.000 0.672 30 V HN 0.337 nan 8.190 nan 0.000 0.457 31 R N 0.771 121.214 120.500 -0.096 0.000 2.136 31 R HA -0.213 4.128 4.340 0.002 0.000 0.242 31 R C 0.783 177.032 176.300 -0.085 0.000 1.131 31 R CA 2.303 58.331 56.100 -0.120 0.000 0.937 31 R CB -0.088 30.029 30.300 -0.306 0.000 0.863 31 R HN 0.533 nan 8.270 nan 0.000 0.435 32 D N -1.022 119.315 120.400 -0.105 0.000 2.542 32 D HA 0.130 4.771 4.640 0.002 0.000 0.252 32 D C 0.223 176.482 176.300 -0.069 0.000 1.222 32 D CA -0.367 53.587 54.000 -0.077 0.000 0.895 32 D CB 1.681 42.430 40.800 -0.085 0.000 1.207 32 D HN 0.032 nan 8.370 nan 0.000 0.558 33 L N 2.843 124.036 121.223 -0.050 0.000 2.049 33 L HA 0.046 4.387 4.340 0.002 0.000 0.203 33 L C 1.817 178.657 176.870 -0.050 0.000 1.074 33 L CA 1.070 55.882 54.840 -0.047 0.000 0.749 33 L CB -0.505 41.533 42.059 -0.035 0.000 0.907 33 L HN 0.340 nan 8.230 nan 0.000 0.439 34 D N 0.245 120.618 120.400 -0.045 0.000 2.116 34 D HA -0.215 4.427 4.640 0.002 0.000 0.193 34 D C 2.233 178.504 176.300 -0.049 0.000 0.998 34 D CA 1.707 55.681 54.000 -0.044 0.000 0.836 34 D CB -0.243 40.534 40.800 -0.037 0.000 0.951 34 D HN 0.332 nan 8.370 nan 0.000 0.449 35 A N 0.750 123.538 122.820 -0.053 0.000 1.897 35 A HA 0.071 4.392 4.320 0.002 0.000 0.215 35 A C 2.293 179.840 177.584 -0.062 0.000 1.181 35 A CA 2.044 54.048 52.037 -0.056 0.000 0.620 35 A CB -0.850 18.113 19.000 -0.061 0.000 0.821 35 A HN 0.221 nan 8.150 nan 0.000 0.443 36 A N 0.679 123.457 122.820 -0.069 0.000 1.859 36 A HA -0.297 4.024 4.320 0.002 0.000 0.217 36 A C 1.885 179.427 177.584 -0.071 0.000 1.198 36 A CA 2.312 54.305 52.037 -0.074 0.000 0.629 36 A CB -0.989 17.965 19.000 -0.077 0.000 0.830 36 A HN 0.546 nan 8.150 nan 0.000 0.446 37 N N -0.254 118.404 118.700 -0.070 0.000 2.132 37 N HA -0.149 4.592 4.740 0.002 0.000 0.191 37 N C 1.454 176.925 175.510 -0.065 0.000 1.015 37 N CA 1.539 54.544 53.050 -0.074 0.000 0.864 37 N CB -0.523 37.921 38.487 -0.071 0.000 1.006 37 N HN 0.257 nan 8.380 nan 0.000 0.430 38 V N -0.313 119.568 119.914 -0.054 0.000 2.427 38 V HA -0.155 3.966 4.120 0.002 0.000 0.248 38 V C 2.127 178.199 176.094 -0.037 0.000 1.051 38 V CA 1.098 63.373 62.300 -0.042 0.000 1.048 38 V CB -0.335 31.464 31.823 -0.039 0.000 0.666 38 V HN 0.124 nan 8.190 nan 0.000 0.456 39 V N -0.278 119.609 119.914 -0.045 0.000 2.244 39 V HA -0.231 3.890 4.120 0.002 0.000 0.244 39 V C 2.178 178.251 176.094 -0.034 0.000 1.042 39 V CA 2.018 64.293 62.300 -0.041 0.000 1.006 39 V CB -0.491 31.299 31.823 -0.054 0.000 0.641 39 V HN 0.382 nan 8.190 nan 0.000 0.446 40 I N 0.719 121.256 120.570 -0.054 0.000 2.195 40 I HA -0.467 3.705 4.170 0.002 0.000 0.232 40 I C 2.337 178.447 176.117 -0.011 0.000 0.986 40 I CA 2.546 63.810 61.300 -0.059 0.000 1.283 40 I CB -0.743 37.197 38.000 -0.100 0.000 0.990 40 I HN 0.453 nan 8.210 nan 0.000 0.390 41 N N 0.275 118.961 118.700 -0.023 0.000 2.364 41 N HA -0.136 4.605 4.740 0.002 0.000 0.183 41 N C 1.761 177.319 175.510 0.081 0.000 1.022 41 N CA 1.062 54.122 53.050 0.017 0.000 0.883 41 N CB -0.062 38.408 38.487 -0.028 0.000 0.965 41 N HN 0.456 nan 8.380 nan 0.000 0.438 42 A N 1.044 123.892 122.820 0.047 0.000 1.854 42 A HA -0.052 4.269 4.320 0.002 0.000 0.214 42 A C 2.497 180.139 177.584 0.096 0.000 1.192 42 A CA 0.930 53.000 52.037 0.055 0.000 0.611 42 A CB -0.759 18.249 19.000 0.013 0.000 0.832 42 A HN 0.046 nan 8.150 nan 0.000 0.442 43 V N -0.618 119.343 119.914 0.079 0.000 2.233 43 V HA -0.292 3.830 4.120 0.002 0.000 0.247 43 V C 2.302 178.483 176.094 0.146 0.000 1.050 43 V CA 2.356 64.720 62.300 0.107 0.000 1.010 43 V CB -1.267 30.587 31.823 0.053 0.000 0.637 43 V HN 0.610 nan 8.190 nan 0.000 0.444 44 F N 1.464 121.402 119.950 -0.020 0.000 2.045 44 F HA -0.306 4.222 4.527 0.002 0.000 0.297 44 F C 2.629 178.418 175.800 -0.018 0.000 1.114 44 F CA 2.378 60.343 58.000 -0.058 0.000 1.207 44 F CB -0.689 38.233 39.000 -0.131 0.000 0.964 44 F HN 0.079 nan 8.300 nan 0.000 0.486 45 S N -0.996 114.696 115.700 -0.014 0.000 2.399 45 S HA -0.224 4.247 4.470 0.002 0.000 0.231 45 S C 1.662 176.203 174.600 -0.098 0.000 1.022 45 S CA 1.205 59.330 58.200 -0.125 0.000 0.983 45 S CB -0.786 62.455 63.200 0.068 0.000 0.803 45 S HN 0.664 nan 8.310 nan 0.000 0.480 46 Y N 2.196 122.452 120.300 -0.073 0.000 2.084 46 Y HA -0.201 4.350 4.550 0.002 0.000 0.279 46 Y C 2.236 178.154 175.900 0.030 0.000 1.119 46 Y CA 1.699 59.795 58.100 -0.007 0.000 1.101 46 Y CB -0.791 37.696 38.460 0.045 0.000 0.989 46 Y HN -0.010 nan 8.280 nan 0.000 0.484 47 V N 0.783 120.693 119.914 -0.007 0.000 2.233 47 V HA -0.461 3.660 4.120 0.002 0.000 0.252 47 V C 2.587 178.613 176.094 -0.114 0.000 1.063 47 V CA 3.154 65.450 62.300 -0.008 0.000 1.032 47 V CB -1.696 30.155 31.823 0.047 0.000 0.645 47 V HN 0.783 nan 8.190 nan 0.000 0.446 48 T N -1.754 112.625 114.554 -0.293 0.000 2.737 48 T HA -0.205 4.146 4.350 0.002 0.000 0.265 48 T C 1.691 176.261 174.700 -0.215 0.000 1.038 48 T CA 1.822 63.732 62.100 -0.317 0.000 1.144 48 T CB -0.612 67.875 68.868 -0.636 0.000 0.866 48 T HN 0.517 nan 8.240 nan 0.000 0.434 49 N N 0.872 119.420 118.700 -0.253 0.000 2.270 49 N HA -0.007 4.734 4.740 0.002 0.000 0.181 49 N C 1.852 177.257 175.510 -0.175 0.000 1.016 49 N CA 1.178 54.124 53.050 -0.173 0.000 0.870 49 N CB -0.005 38.393 38.487 -0.148 0.000 0.979 49 N HN 0.330 nan 8.380 nan 0.000 0.431 50 V N -1.422 118.299 119.914 -0.323 0.000 2.825 50 V HA -0.012 4.109 4.120 0.002 0.000 0.246 50 V C 1.029 176.827 176.094 -0.494 0.000 1.068 50 V CA 0.964 62.953 62.300 -0.518 0.000 1.088 50 V CB -0.239 31.016 31.823 -0.947 0.000 0.733 50 V HN 0.328 nan 8.190 nan 0.000 0.468 51 W N -0.294 120.901 121.300 -0.176 0.000 2.835 51 W HA 0.396 5.057 4.660 0.002 0.000 0.278 51 W C 2.282 178.540 176.519 -0.434 0.000 1.075 51 W CA 0.359 57.493 57.345 -0.352 0.000 1.439 51 W CB -0.236 29.019 29.460 -0.342 0.000 0.927 51 W HN 0.172 nan 8.180 nan 0.000 0.604 52 G N 2.599 111.439 108.800 0.066 0.000 2.657 52 G HA2 -0.338 3.623 3.960 0.002 0.000 0.224 52 G HA3 -0.338 3.623 3.960 0.002 0.000 0.224 52 G C 1.168 176.204 174.900 0.227 0.000 1.086 52 G CA 1.422 46.611 45.100 0.148 0.000 0.730 52 G HN 0.478 nan 8.290 nan 0.000 0.602 53 W N 0.314 121.765 121.300 0.251 0.000 2.436 53 W HA 0.267 4.928 4.660 0.002 0.000 0.284 53 W C 2.179 178.985 176.519 0.478 0.000 1.225 53 W CA 0.819 58.355 57.345 0.317 0.000 1.271 53 W CB -1.114 28.515 29.460 0.283 0.000 1.114 53 W HN 0.279 nan 8.180 nan 0.000 0.559 54 A N 0.972 123.478 122.820 -0.524 0.000 1.969 54 A HA -0.083 4.238 4.320 0.002 0.000 0.218 54 A C 1.851 179.473 177.584 0.062 0.000 1.169 54 A CA 1.272 53.044 52.037 -0.441 0.000 0.635 54 A CB -1.318 17.025 19.000 -1.096 0.000 0.810 54 A HN 0.196 nan 8.150 nan 0.000 0.445 55 F N 0.480 120.485 119.950 0.091 0.000 2.069 55 F HA -0.185 4.343 4.527 0.002 0.000 0.298 55 F C 2.494 178.589 175.800 0.492 0.000 1.113 55 F CA 2.088 60.274 58.000 0.310 0.000 1.214 55 F CB -0.421 38.733 39.000 0.257 0.000 0.978 55 F HN 0.315 nan 8.300 nan 0.000 0.474 56 E N -1.316 119.271 120.200 0.645 0.000 2.085 56 E HA -0.275 4.076 4.350 0.002 0.000 0.194 56 E C 2.132 178.882 176.600 0.250 0.000 0.994 56 E CA 1.649 58.359 56.400 0.516 0.000 0.801 56 E CB -0.531 29.319 29.700 0.250 0.000 0.743 56 E HN 0.520 nan 8.360 nan 0.000 0.453 57 W N 0.265 121.761 121.300 0.327 0.000 2.374 57 W HA -0.191 4.470 4.660 0.002 0.000 0.288 57 W C 2.211 178.835 176.519 0.175 0.000 1.218 57 W CA 1.040 58.541 57.345 0.260 0.000 1.245 57 W CB -0.383 29.282 29.460 0.343 0.000 1.126 57 W HN 0.181 nan 8.180 nan 0.000 0.545 58 Y N 0.587 121.077 120.300 0.317 0.000 2.036 58 Y HA -0.401 4.150 4.550 0.002 0.000 0.273 58 Y C 2.492 178.377 175.900 -0.026 0.000 1.135 58 Y CA 2.289 60.437 58.100 0.080 0.000 1.106 58 Y CB -0.780 37.687 38.460 0.012 0.000 0.976 58 Y HN -0.246 nan 8.280 nan 0.000 0.483 59 M N -0.439 119.245 119.600 0.141 0.000 2.143 59 M HA -0.249 4.232 4.480 0.002 0.000 0.258 59 M C 2.157 178.320 176.300 -0.227 0.000 1.071 59 M CA 1.428 56.599 55.300 -0.216 0.000 1.088 59 M CB -1.505 30.723 32.600 -0.620 0.000 1.360 59 M HN 0.348 nan 8.290 nan 0.000 0.404 60 V N -0.452 119.383 119.914 -0.132 0.000 2.427 60 V HA -0.173 3.949 4.120 0.002 0.000 0.248 60 V C 2.513 178.602 176.094 -0.008 0.000 1.051 60 V CA 1.011 63.230 62.300 -0.135 0.000 1.048 60 V CB -0.250 31.406 31.823 -0.279 0.000 0.666 60 V HN 0.198 nan 8.190 nan 0.000 0.456 61 V N -0.552 119.366 119.914 0.007 0.000 2.221 61 V HA -0.287 3.834 4.120 0.002 0.000 0.242 61 V C 2.543 178.602 176.094 -0.059 0.000 1.041 61 V CA 2.125 64.415 62.300 -0.017 0.000 0.995 61 V CB -0.556 31.207 31.823 -0.098 0.000 0.635 61 V HN 0.397 nan 8.190 nan 0.000 0.448 62 M N -0.943 118.507 119.600 -0.250 0.000 2.164 62 M HA -0.272 4.209 4.480 0.002 0.000 0.251 62 M C 2.094 178.388 176.300 -0.011 0.000 1.087 62 M CA 1.915 57.087 55.300 -0.214 0.000 1.071 62 M CB -1.611 30.797 32.600 -0.319 0.000 1.347 62 M HN 0.355 nan 8.290 nan 0.000 0.399 63 L N -0.394 120.821 121.223 -0.014 0.000 2.023 63 L HA -0.136 4.205 4.340 0.002 0.000 0.205 63 L C 2.342 179.366 176.870 0.255 0.000 1.073 63 L CA 1.549 56.434 54.840 0.075 0.000 0.745 63 L CB -1.046 40.987 42.059 -0.044 0.000 0.900 63 L HN 0.260 nan 8.230 nan 0.000 0.435 64 F N 0.399 120.363 119.950 0.024 0.000 2.087 64 F HA -0.233 4.295 4.527 0.002 0.000 0.299 64 F C 2.014 177.933 175.800 0.199 0.000 1.100 64 F CA 2.071 60.081 58.000 0.016 0.000 1.226 64 F CB -0.912 38.067 39.000 -0.035 0.000 0.983 64 F HN 0.120 nan 8.300 nan 0.000 0.479 65 G N -1.508 107.390 108.800 0.164 0.000 2.650 65 G HA2 -0.278 3.683 3.960 0.002 0.000 0.214 65 G HA3 -0.278 3.683 3.960 0.002 0.000 0.214 65 G C 1.302 176.386 174.900 0.307 0.000 1.136 65 G CA 0.334 45.482 45.100 0.081 0.000 0.789 65 G HN 0.699 nan 8.290 nan 0.000 0.536 66 W N 0.858 122.245 121.300 0.146 0.000 2.358 66 W HA -0.012 4.648 4.660 0.001 0.000 0.303 66 W C 1.913 178.386 176.519 -0.076 0.000 1.208 66 W CA 1.138 58.535 57.345 0.087 0.000 1.274 66 W CB -0.192 29.292 29.460 0.040 0.000 1.138 66 W HN 0.161 nan 8.180 nan 0.000 0.515 67 F N -1.016 119.026 119.950 0.153 0.000 2.102 67 F HA -0.161 4.367 4.527 0.001 0.000 0.298 67 F C 2.220 177.790 175.800 -0.384 0.000 1.105 67 F CA 1.680 59.517 58.000 -0.270 0.000 1.239 67 F CB -1.373 37.445 39.000 -0.303 0.000 0.991 67 F HN -0.028 nan 8.300 nan 0.000 0.474 68 W N 1.100 122.233 121.300 -0.277 0.000 2.350 68 W HA -0.177 4.484 4.660 0.002 0.000 0.289 68 W C 1.862 178.297 176.519 -0.140 0.000 1.215 68 W CA 1.521 58.727 57.345 -0.232 0.000 1.236 68 W CB -0.287 29.044 29.460 -0.215 0.000 1.130 68 W HN -0.034 nan 8.180 nan 0.000 0.541 69 L N -0.634 120.604 121.223 0.025 0.000 2.005 69 L HA -0.241 4.100 4.340 0.002 0.000 0.207 69 L C 2.298 178.899 176.870 -0.448 0.000 1.072 69 L CA 1.435 56.151 54.840 -0.207 0.000 0.744 69 L CB -1.322 40.676 42.059 -0.101 0.000 0.895 69 L HN -0.160 nan 8.230 nan 0.000 0.433 70 V N -0.806 118.738 119.914 -0.618 0.000 2.307 70 V HA -0.273 3.848 4.120 0.002 0.000 0.245 70 V C 1.796 177.872 176.094 -0.030 0.000 1.045 70 V CA 1.756 63.675 62.300 -0.636 0.000 1.024 70 V CB -0.465 30.630 31.823 -1.214 0.000 0.651 70 V HN 0.348 nan 8.190 nan 0.000 0.449 71 F N -0.004 119.745 119.950 -0.335 0.000 2.641 71 F HA 0.402 4.930 4.527 0.001 0.000 0.302 71 F C 1.571 177.173 175.800 -0.330 0.000 1.098 71 F CA -0.270 57.590 58.000 -0.232 0.000 1.318 71 F CB 0.008 38.953 39.000 -0.091 0.000 1.035 71 F HN 0.257 nan 8.300 nan 0.000 0.551 72 G N 1.853 110.432 108.800 -0.369 0.000 2.553 72 G HA2 0.110 4.071 3.960 0.002 0.000 0.278 72 G HA3 0.110 4.071 3.960 0.002 0.000 0.278 72 G C -1.413 173.173 174.900 -0.523 0.000 1.349 72 G CA -0.620 44.015 45.100 -0.775 0.000 1.037 72 G HN -0.079 nan 8.290 nan 0.000 0.508 73 P HA -0.026 nan 4.420 nan 0.000 0.219 73 P C 0.722 177.944 177.300 -0.129 0.000 1.154 73 P CA 1.083 64.046 63.100 -0.228 0.000 0.826 73 P CB 0.163 31.820 31.700 -0.071 0.000 0.795 74 Y N -0.166 119.791 120.300 -0.572 0.000 2.477 74 Y HA 0.217 4.768 4.550 0.002 0.000 0.303 74 Y C 2.437 178.040 175.900 -0.494 0.000 1.202 74 Y CA -0.486 57.245 58.100 -0.615 0.000 1.282 74 Y CB -0.506 37.607 38.460 -0.578 0.000 1.071 74 Y HN -0.027 nan 8.280 nan 0.000 0.510 75 A N 1.369 124.023 122.820 -0.276 0.000 1.865 75 A HA -0.228 4.093 4.320 0.002 0.000 0.217 75 A C 2.079 179.540 177.584 -0.206 0.000 1.191 75 A CA 1.697 53.581 52.037 -0.256 0.000 0.623 75 A CB -0.252 18.613 19.000 -0.225 0.000 0.826 75 A HN 0.392 nan 8.150 nan 0.000 0.444 76 K N -0.549 119.735 120.400 -0.193 0.000 2.361 76 K HA 0.081 4.402 4.320 0.002 0.000 0.194 76 K C -0.128 176.380 176.600 -0.152 0.000 1.032 76 K CA -0.221 55.978 56.287 -0.148 0.000 1.048 76 K CB 0.203 32.629 32.500 -0.124 0.000 0.842 76 K HN 0.164 nan 8.250 nan 0.000 0.526 77 K N 2.242 122.489 120.400 -0.256 0.000 2.569 77 K HA -0.085 4.236 4.320 0.002 0.000 0.280 77 K C 0.169 176.753 176.600 -0.027 0.000 0.984 77 K CA 0.588 56.700 56.287 -0.291 0.000 1.064 77 K CB 0.287 32.264 32.500 -0.871 0.000 0.866 77 K HN 0.090 nan 8.250 nan 0.000 0.492 78 R N 2.284 122.841 120.500 0.094 0.000 2.404 78 R HA 0.209 4.550 4.340 0.002 0.000 0.291 78 R C 0.012 176.502 176.300 0.317 0.000 1.025 78 R CA -0.403 55.786 56.100 0.148 0.000 0.991 78 R CB 0.534 30.884 30.300 0.083 0.000 1.053 78 R HN 0.457 nan 8.270 nan 0.000 0.479 79 L N 4.650 126.038 121.223 0.276 0.000 2.466 79 L HA 0.353 4.694 4.340 0.002 0.000 0.248 79 L C 0.268 177.319 176.870 0.302 0.000 1.240 79 L CA 0.109 55.171 54.840 0.369 0.000 1.180 79 L CB 0.431 42.718 42.059 0.379 0.000 1.413 79 L HN 0.978 nan 8.230 nan 0.000 0.406 80 G N 0.273 109.217 108.800 0.240 0.000 2.650 80 G HA2 -0.157 3.804 3.960 0.002 0.000 0.686 80 G HA3 -0.157 3.804 3.960 0.002 0.000 0.686 80 G C 0.091 175.020 174.900 0.049 0.000 1.205 80 G CA -0.606 44.571 45.100 0.128 0.000 0.781 80 G HN 0.438 nan 8.290 nan 0.000 0.648 81 E N 0.926 121.139 120.200 0.021 0.000 2.028 81 E HA 0.146 4.497 4.350 0.002 0.000 0.190 81 E C 1.936 178.512 176.600 -0.039 0.000 0.984 81 E CA 1.167 57.568 56.400 0.002 0.000 0.800 81 E CB -0.194 29.509 29.700 0.005 0.000 0.758 81 E HN 1.086 nan 8.360 nan 0.000 0.448 82 E N 2.227 122.384 120.200 -0.071 0.000 2.521 82 E HA -0.065 4.286 4.350 0.002 0.000 0.270 82 E C -2.408 174.127 176.600 -0.109 0.000 1.082 82 E CA -0.572 55.769 56.400 -0.098 0.000 0.997 82 E CB -1.117 28.502 29.700 -0.136 0.000 0.990 82 E HN -0.034 nan 8.360 nan 0.000 0.458 83 P HA 0.261 nan 4.420 nan 0.000 0.274 83 P C -2.405 174.807 177.300 -0.147 0.000 1.246 83 P CA -1.012 62.021 63.100 -0.112 0.000 0.795 83 P CB 0.337 31.979 31.700 -0.096 0.000 1.006 84 P HA 0.111 nan 4.420 nan 0.000 0.282 84 P C -0.265 176.945 177.300 -0.150 0.000 1.262 84 P CA -0.081 62.922 63.100 -0.162 0.000 0.773 84 P CB 0.511 32.093 31.700 -0.197 0.000 0.879 85 E N 2.207 122.299 120.200 -0.180 0.000 2.320 85 E HA 0.247 4.598 4.350 0.002 0.000 0.189 85 E C -0.645 175.613 176.600 -0.569 0.000 1.100 85 E CA -0.168 56.027 56.400 -0.341 0.000 1.009 85 E CB -0.427 29.025 29.700 -0.414 0.000 1.145 85 E HN 0.281 nan 8.360 nan 0.000 0.454 86 F N 0.780 120.685 119.950 -0.076 0.000 2.619 86 F HA 0.230 4.758 4.527 0.002 0.000 0.308 86 F C -0.007 175.775 175.800 -0.031 0.000 1.097 86 F CA -1.369 56.620 58.000 -0.018 0.000 0.953 86 F CB 1.935 40.973 39.000 0.063 0.000 1.287 86 F HN -0.048 nan 8.300 nan 0.000 0.446 87 S N -0.091 115.751 115.700 0.238 0.000 2.549 87 S HA 0.114 4.585 4.470 0.002 0.000 0.279 87 S C 0.882 175.593 174.600 0.185 0.000 1.321 87 S CA -0.245 58.039 58.200 0.140 0.000 1.054 87 S CB 1.192 64.460 63.200 0.113 0.000 0.899 87 S HN 0.721 nan 8.310 nan 0.000 0.497 88 T N 2.931 117.552 114.554 0.111 0.000 2.760 88 T HA -0.168 4.183 4.350 0.002 0.000 0.269 88 T C 1.979 176.852 174.700 0.288 0.000 1.047 88 T CA 1.857 64.059 62.100 0.170 0.000 1.139 88 T CB -0.634 68.285 68.868 0.086 0.000 0.855 88 T HN 0.876 nan 8.240 nan 0.000 0.471 89 A N 0.320 123.251 122.820 0.185 0.000 1.930 89 A HA 0.054 4.375 4.320 0.002 0.000 0.215 89 A C 2.517 180.216 177.584 0.191 0.000 1.176 89 A CA 1.658 53.789 52.037 0.156 0.000 0.632 89 A CB -0.818 18.232 19.000 0.082 0.000 0.819 89 A HN 0.440 nan 8.150 nan 0.000 0.445 90 S N -1.407 114.416 115.700 0.205 0.000 2.348 90 S HA -0.228 4.243 4.470 0.002 0.000 0.221 90 S C 1.645 176.377 174.600 0.221 0.000 1.033 90 S CA 1.819 60.146 58.200 0.212 0.000 1.010 90 S CB -0.556 62.820 63.200 0.293 0.000 0.891 90 S HN 0.699 nan 8.310 nan 0.000 0.442 91 W N 1.986 123.279 121.300 -0.011 0.000 2.285 91 W HA -0.241 4.420 4.660 0.001 0.000 0.333 91 W C 2.011 178.511 176.519 -0.032 0.000 1.290 91 W CA 2.078 59.350 57.345 -0.120 0.000 1.234 91 W CB -1.135 28.314 29.460 -0.018 0.000 1.154 91 W HN 0.349 nan 8.180 nan 0.000 0.463 92 I N -0.584 120.024 120.570 0.064 0.000 2.113 92 I HA -0.385 3.786 4.170 0.002 0.000 0.242 92 I C 2.554 178.642 176.117 -0.047 0.000 1.064 92 I CA 2.115 63.326 61.300 -0.148 0.000 1.320 92 I CB -0.911 37.072 38.000 -0.028 0.000 1.028 92 I HN 0.027 nan 8.210 nan 0.000 0.406 93 F N 0.939 120.850 119.950 -0.065 0.000 2.202 93 F HA -0.278 4.250 4.527 0.002 0.000 0.301 93 F C 2.470 178.299 175.800 0.048 0.000 1.082 93 F CA 1.539 59.533 58.000 -0.009 0.000 1.313 93 F CB -0.095 38.901 39.000 -0.007 0.000 1.024 93 F HN -0.013 nan 8.300 nan 0.000 0.495 94 M N -0.574 119.150 119.600 0.206 0.000 2.229 94 M HA -0.206 4.275 4.480 0.002 0.000 0.264 94 M C 1.998 178.332 176.300 0.057 0.000 1.063 94 M CA 1.414 56.793 55.300 0.131 0.000 1.114 94 M CB -0.349 32.218 32.600 -0.056 0.000 1.387 94 M HN 0.272 nan 8.290 nan 0.000 0.420 95 M N -1.083 118.470 119.600 -0.078 0.000 2.115 95 M HA -0.096 4.385 4.480 0.002 0.000 0.261 95 M C 2.132 178.334 176.300 -0.162 0.000 1.079 95 M CA 1.526 56.735 55.300 -0.153 0.000 1.143 95 M CB -0.958 31.451 32.600 -0.318 0.000 1.332 95 M HN 0.052 nan 8.290 nan 0.000 0.421 96 F N 1.798 121.559 119.950 -0.315 0.000 2.176 96 F HA -0.275 4.253 4.527 0.002 0.000 0.301 96 F C 2.327 177.983 175.800 -0.240 0.000 1.071 96 F CA 1.740 59.550 58.000 -0.317 0.000 1.289 96 F CB -0.223 38.501 39.000 -0.459 0.000 1.028 96 F HN 0.143 nan 8.300 nan 0.000 0.494 97 A N -1.521 121.194 122.820 -0.175 0.000 2.147 97 A HA 0.066 4.387 4.320 0.002 0.000 0.211 97 A C 2.147 179.628 177.584 -0.171 0.000 1.160 97 A CA 0.800 52.736 52.037 -0.168 0.000 0.781 97 A CB -0.821 18.140 19.000 -0.065 0.000 0.842 97 A HN 0.395 nan 8.150 nan 0.000 0.475 98 S N -0.930 114.663 115.700 -0.179 0.000 2.395 98 S HA -0.159 4.312 4.470 0.002 0.000 0.225 98 S C 1.816 176.266 174.600 -0.251 0.000 1.027 98 S CA 1.268 59.321 58.200 -0.244 0.000 0.965 98 S CB -1.177 61.769 63.200 -0.423 0.000 0.812 98 S HN 0.494 nan 8.310 nan 0.000 0.482 99 C N 2.925 122.084 119.300 -0.234 0.000 2.410 99 C HA 0.012 4.473 4.460 0.002 0.000 0.281 99 C C 1.898 176.797 174.990 -0.150 0.000 1.318 99 C CA 1.146 60.078 59.018 -0.145 0.000 1.776 99 C CB -1.799 25.890 27.740 -0.085 0.000 1.942 99 C HN 0.793 nan 8.230 nan 0.000 0.508 100 T N -0.355 114.073 114.554 -0.210 0.000 2.978 100 T HA 0.297 4.648 4.350 0.002 0.000 0.278 100 T C -0.120 174.468 174.700 -0.186 0.000 0.945 100 T CA 0.085 62.060 62.100 -0.209 0.000 1.070 100 T CB 0.526 69.224 68.868 -0.283 0.000 0.948 100 T HN 0.358 nan 8.240 nan 0.000 0.617 101 S N 2.374 117.976 115.700 -0.162 0.000 2.745 101 S HA 0.695 5.166 4.470 0.002 0.000 0.292 101 S C 1.711 176.250 174.600 -0.101 0.000 1.133 101 S CA -0.320 57.794 58.200 -0.143 0.000 0.998 101 S CB 0.892 63.998 63.200 -0.156 0.000 1.087 101 S HN 0.850 nan 8.310 nan 0.000 0.551 102 A N 1.917 124.694 122.820 -0.072 0.000 1.877 102 A HA 0.154 4.475 4.320 0.002 0.000 0.216 102 A C 2.316 179.916 177.584 0.028 0.000 1.186 102 A CA 1.897 53.926 52.037 -0.012 0.000 0.620 102 A CB -1.628 17.359 19.000 -0.021 0.000 0.822 102 A HN 1.279 nan 8.150 nan 0.000 0.443 103 A N -1.074 121.752 122.820 0.010 0.000 2.067 103 A HA 0.085 4.406 4.320 0.002 0.000 0.219 103 A C 2.167 179.774 177.584 0.038 0.000 1.158 103 A CA 1.542 53.598 52.037 0.032 0.000 0.661 103 A CB -0.640 18.430 19.000 0.117 0.000 0.801 103 A HN 0.455 nan 8.150 nan 0.000 0.452 104 V N -0.241 119.651 119.914 -0.037 0.000 2.591 104 V HA -0.098 4.023 4.120 0.002 0.000 0.249 104 V C 2.326 178.259 176.094 -0.269 0.000 1.053 104 V CA 1.207 63.410 62.300 -0.162 0.000 1.068 104 V CB -0.291 31.410 31.823 -0.204 0.000 0.689 104 V HN 0.610 nan 8.190 nan 0.000 0.462 105 L N -1.267 119.900 121.223 -0.093 0.000 2.127 105 L HA -0.206 4.135 4.340 0.002 0.000 0.211 105 L C 2.274 179.206 176.870 0.102 0.000 1.089 105 L CA 2.051 56.903 54.840 0.020 0.000 0.757 105 L CB -0.594 41.570 42.059 0.176 0.000 0.899 105 L HN 0.418 nan 8.230 nan 0.000 0.434 106 F N -0.066 119.838 119.950 -0.076 0.000 2.031 106 F HA -0.260 4.269 4.527 0.002 0.000 0.295 106 F C 2.226 177.955 175.800 -0.119 0.000 1.133 106 F CA 1.794 59.693 58.000 -0.167 0.000 1.188 106 F CB -0.520 38.258 39.000 -0.369 0.000 0.974 106 F HN -0.049 nan 8.300 nan 0.000 0.473 107 W N 0.419 121.859 121.300 0.233 0.000 2.333 107 W HA -0.078 4.583 4.660 0.002 0.000 0.316 107 W C 2.707 179.096 176.519 -0.216 0.000 1.215 107 W CA 0.858 58.314 57.345 0.185 0.000 1.278 107 W CB -1.331 28.407 29.460 0.464 0.000 1.154 107 W HN 0.199 nan 8.180 nan 0.000 0.486 108 G N -0.171 108.263 108.800 -0.610 0.000 2.547 108 G HA2 -0.356 3.605 3.960 0.002 0.000 0.221 108 G HA3 -0.356 3.605 3.960 0.002 0.000 0.221 108 G C 1.548 176.251 174.900 -0.329 0.000 1.140 108 G CA 1.671 46.121 45.100 -1.083 0.000 0.760 108 G HN 0.256 nan 8.290 nan 0.000 0.583 109 S N -0.753 114.854 115.700 -0.155 0.000 2.436 109 S HA 0.090 4.561 4.470 0.002 0.000 0.228 109 S C 1.915 176.460 174.600 -0.092 0.000 1.014 109 S CA 0.730 58.894 58.200 -0.061 0.000 0.950 109 S CB 0.054 63.226 63.200 -0.046 0.000 0.784 109 S HN 0.317 nan 8.310 nan 0.000 0.504 110 I N 1.136 121.663 120.570 -0.073 0.000 4.244 110 I HA 0.131 4.302 4.170 0.002 0.000 0.318 110 I C 1.864 178.105 176.117 0.206 0.000 1.282 110 I CA 0.223 61.515 61.300 -0.012 0.000 1.276 110 I CB -0.072 37.854 38.000 -0.123 0.000 1.183 110 I HN 0.240 nan 8.210 nan 0.000 0.431 111 E N 0.857 121.205 120.200 0.247 0.000 2.204 111 E HA -0.236 4.115 4.350 0.002 0.000 0.195 111 E C 2.225 178.583 176.600 -0.403 0.000 0.990 111 E CA 1.641 58.064 56.400 0.037 0.000 0.821 111 E CB -0.698 28.992 29.700 -0.017 0.000 0.750 111 E HN 0.596 nan 8.360 nan 0.000 0.477 112 I N 0.444 121.012 120.570 -0.004 0.000 2.493 112 I HA -0.251 3.920 4.170 0.002 0.000 0.254 112 I C 2.218 178.439 176.117 0.175 0.000 1.160 112 I CA 1.104 62.530 61.300 0.210 0.000 1.445 112 I CB -0.114 38.094 38.000 0.347 0.000 1.086 112 I HN 0.190 nan 8.210 nan 0.000 0.433 113 Y N 1.380 121.673 120.300 -0.013 0.000 2.097 113 Y HA -0.341 4.210 4.550 0.002 0.000 0.282 113 Y C 2.038 177.898 175.900 -0.068 0.000 1.152 113 Y CA 2.060 60.102 58.100 -0.096 0.000 1.136 113 Y CB -1.008 37.293 38.460 -0.264 0.000 0.975 113 Y HN 0.198 nan 8.280 nan 0.000 0.498 114 Y N -1.289 118.899 120.300 -0.188 0.000 2.274 114 Y HA -0.236 4.315 4.550 0.002 0.000 0.290 114 Y C 2.211 178.109 175.900 -0.004 0.000 1.145 114 Y CA 1.541 59.529 58.100 -0.185 0.000 1.203 114 Y CB -0.919 37.656 38.460 0.192 0.000 0.984 114 Y HN 0.182 nan 8.280 nan 0.000 0.533 115 Y N -0.376 119.996 120.300 0.119 0.000 2.256 115 Y HA -0.221 4.330 4.550 0.002 0.000 0.288 115 Y C 2.174 178.134 175.900 0.101 0.000 1.155 115 Y CA 0.692 58.866 58.100 0.124 0.000 1.203 115 Y CB -0.856 37.667 38.460 0.104 0.000 0.980 115 Y HN 0.161 nan 8.280 nan 0.000 0.530 116 I N -1.413 119.260 120.570 0.171 0.000 2.385 116 I HA -0.175 3.996 4.170 0.002 0.000 0.244 116 I C 2.570 178.674 176.117 -0.021 0.000 1.089 116 I CA 1.063 62.404 61.300 0.068 0.000 1.410 116 I CB -0.794 37.232 38.000 0.044 0.000 1.117 116 I HN 0.114 nan 8.210 nan 0.000 0.429 117 S N 0.258 115.836 115.700 -0.203 0.000 2.365 117 S HA -0.231 4.241 4.470 0.002 0.000 0.221 117 S C 1.467 176.040 174.600 -0.046 0.000 1.037 117 S CA 1.967 60.015 58.200 -0.252 0.000 1.060 117 S CB -0.708 62.088 63.200 -0.674 0.000 0.974 117 S HN 0.461 nan 8.310 nan 0.000 0.427 118 T N 3.187 117.769 114.554 0.047 0.000 2.977 118 T HA 0.687 5.038 4.350 0.002 0.000 0.346 118 T C -3.071 171.795 174.700 0.276 0.000 1.140 118 T CA -2.255 59.928 62.100 0.139 0.000 1.040 118 T CB 1.420 70.370 68.868 0.136 0.000 1.046 118 T HN 0.216 nan 8.240 nan 0.000 0.494 119 P HA 0.521 nan 4.420 nan 0.000 0.279 119 P C -2.754 174.575 177.300 0.048 0.000 1.276 119 P CA -1.647 61.567 63.100 0.190 0.000 0.801 119 P CB 0.165 31.902 31.700 0.062 0.000 1.127 120 P HA 0.405 nan 4.420 nan 0.000 0.286 120 P C -0.535 176.437 177.300 -0.547 0.000 1.292 120 P CA -0.779 61.722 63.100 -0.997 0.000 0.842 120 P CB 0.439 30.754 31.700 -2.310 0.000 1.207 121 F N -2.165 117.704 119.950 -0.135 0.000 3.057 121 F HA -0.169 4.359 4.527 0.003 0.000 0.287 121 F C 1.190 176.987 175.800 -0.005 0.000 0.834 121 F CA 0.576 58.543 58.000 -0.055 0.000 1.147 121 F CB -2.615 36.282 39.000 -0.172 0.000 1.245 121 F HN 0.686 nan 8.300 nan 0.000 0.509 122 G N 1.173 110.047 108.800 0.123 0.000 2.333 122 G HA2 -0.259 3.702 3.960 0.002 0.000 0.296 122 G HA3 -0.259 3.702 3.960 0.002 0.000 0.296 122 G C -0.265 174.682 174.900 0.078 0.000 1.059 122 G CA 0.140 45.298 45.100 0.095 0.000 1.050 122 G HN 0.511 nan 8.290 nan 0.000 0.508 123 L N -0.279 120.980 121.223 0.060 0.000 2.334 123 L HA 0.422 4.763 4.340 0.002 0.000 0.275 123 L C 0.907 177.803 176.870 0.044 0.000 1.036 123 L CA -0.734 54.136 54.840 0.049 0.000 0.807 123 L CB 1.439 43.518 42.059 0.034 0.000 1.231 123 L HN 0.306 nan 8.230 nan 0.000 0.438 124 E N 3.649 123.872 120.200 0.038 0.000 2.324 124 E HA 0.151 4.502 4.350 0.002 0.000 0.271 124 E C -2.213 174.407 176.600 0.034 0.000 1.028 124 E CA -1.676 54.744 56.400 0.034 0.000 0.890 124 E CB 0.961 30.678 29.700 0.029 0.000 1.004 124 E HN 0.259 nan 8.360 nan 0.000 0.431 125 P HA -0.041 nan 4.420 nan 0.000 0.266 125 P C -0.715 176.598 177.300 0.022 0.000 1.195 125 P CA 0.350 63.467 63.100 0.028 0.000 0.768 125 P CB 0.375 32.088 31.700 0.022 0.000 0.838 126 N N -1.343 117.370 118.700 0.021 0.000 2.732 126 N HA -0.210 4.531 4.740 0.002 0.000 0.250 126 N C -0.089 175.435 175.510 0.023 0.000 1.097 126 N CA 1.323 54.385 53.050 0.021 0.000 0.812 126 N CB -2.345 36.151 38.487 0.016 0.000 1.148 126 N HN 0.412 nan 8.380 nan 0.000 0.572 127 S N -0.056 115.660 115.700 0.027 0.000 2.510 127 S HA 0.273 4.744 4.470 0.002 0.000 0.279 127 S C 1.864 176.483 174.600 0.031 0.000 1.284 127 S CA 0.215 58.431 58.200 0.026 0.000 1.059 127 S CB 0.684 63.900 63.200 0.027 0.000 0.901 127 S HN 0.416 nan 8.310 nan 0.000 0.491 128 T N 3.553 118.123 114.554 0.028 0.000 2.731 128 T HA -0.237 4.114 4.350 0.002 0.000 0.263 128 T C 1.925 176.652 174.700 0.045 0.000 1.033 128 T CA 2.139 64.259 62.100 0.034 0.000 1.160 128 T CB -1.539 67.347 68.868 0.030 0.000 0.849 128 T HN 0.827 nan 8.240 nan 0.000 0.469 129 G N 1.437 110.259 108.800 0.036 0.000 2.446 129 G HA2 0.068 4.029 3.960 0.002 0.000 0.217 129 G HA3 0.068 4.029 3.960 0.002 0.000 0.217 129 G C 1.937 176.854 174.900 0.029 0.000 1.168 129 G CA 1.027 46.146 45.100 0.031 0.000 0.771 129 G HN 0.920 nan 8.290 nan 0.000 0.551 130 A N -0.018 122.824 122.820 0.036 0.000 2.172 130 A HA 0.145 4.466 4.320 0.002 0.000 0.216 130 A C 2.243 179.874 177.584 0.077 0.000 1.154 130 A CA 1.653 53.716 52.037 0.043 0.000 0.701 130 A CB -0.175 18.854 19.000 0.048 0.000 0.789 130 A HN 0.415 nan 8.150 nan 0.000 0.465 131 K N -0.452 119.998 120.400 0.084 0.000 2.044 131 K HA -0.025 4.296 4.320 0.002 0.000 0.204 131 K C 1.807 178.522 176.600 0.191 0.000 1.045 131 K CA 1.094 57.455 56.287 0.123 0.000 0.951 131 K CB -0.136 32.410 32.500 0.078 0.000 0.738 131 K HN 0.514 nan 8.250 nan 0.000 0.443 132 E N 1.071 121.365 120.200 0.157 0.000 2.130 132 E HA -0.205 4.146 4.350 0.002 0.000 0.196 132 E C 1.758 178.437 176.600 0.132 0.000 0.998 132 E CA 0.827 57.348 56.400 0.202 0.000 0.806 132 E CB 0.001 29.764 29.700 0.105 0.000 0.738 132 E HN 0.142 nan 8.360 nan 0.000 0.459 133 L N 0.558 121.810 121.223 0.047 0.000 2.492 133 L HA 0.045 4.386 4.340 0.002 0.000 0.223 133 L C 1.895 178.773 176.870 0.013 0.000 1.132 133 L CA 0.985 55.795 54.840 -0.051 0.000 0.850 133 L CB -0.996 40.985 42.059 -0.130 0.000 0.966 133 L HN 0.079 nan 8.230 nan 0.000 0.454 134 G N 0.891 109.780 108.800 0.148 0.000 2.587 134 G HA2 -0.349 3.612 3.960 0.002 0.000 0.217 134 G HA3 -0.349 3.612 3.960 0.002 0.000 0.217 134 G C 1.470 176.524 174.900 0.257 0.000 1.240 134 G CA 1.077 46.331 45.100 0.257 0.000 0.794 134 G HN 0.406 nan 8.290 nan 0.000 0.580 135 L N 1.477 122.846 121.223 0.244 0.000 2.083 135 L HA 0.186 4.527 4.340 0.002 0.000 0.209 135 L C 3.037 179.852 176.870 -0.092 0.000 1.083 135 L CA 2.061 56.961 54.840 0.100 0.000 0.752 135 L CB -0.767 41.180 42.059 -0.187 0.000 0.899 135 L HN 0.271 nan 8.230 nan 0.000 0.433 136 A N -1.264 121.431 122.820 -0.209 0.000 1.948 136 A HA -0.307 4.015 4.320 0.002 0.000 0.220 136 A C 2.259 179.696 177.584 -0.245 0.000 1.177 136 A CA 2.102 53.971 52.037 -0.279 0.000 0.636 136 A CB -1.200 17.628 19.000 -0.287 0.000 0.815 136 A HN 0.624 nan 8.150 nan 0.000 0.449 137 Y N 0.065 120.195 120.300 -0.283 0.000 2.314 137 Y HA -0.128 4.423 4.550 0.002 0.000 0.293 137 Y C 2.964 178.772 175.900 -0.154 0.000 1.129 137 Y CA 1.377 59.216 58.100 -0.436 0.000 1.201 137 Y CB 0.052 37.968 38.460 -0.907 0.000 0.999 137 Y HN 0.347 nan 8.280 nan 0.000 0.541 138 S N 0.295 116.160 115.700 0.275 0.000 2.343 138 S HA -0.210 4.261 4.470 0.002 0.000 0.219 138 S C 1.928 176.666 174.600 0.230 0.000 1.033 138 S CA 1.508 59.994 58.200 0.476 0.000 1.014 138 S CB -0.657 62.885 63.200 0.570 0.000 0.915 138 S HN 0.378 nan 8.310 nan 0.000 0.435 139 L N 0.180 121.394 121.223 -0.014 0.000 2.263 139 L HA -0.151 4.190 4.340 0.002 0.000 0.216 139 L C 2.102 179.013 176.870 0.068 0.000 1.111 139 L CA 1.102 55.833 54.840 -0.181 0.000 0.773 139 L CB -0.478 41.163 42.059 -0.697 0.000 0.906 139 L HN 0.299 nan 8.230 nan 0.000 0.439 140 F N -0.332 119.506 119.950 -0.185 0.000 2.149 140 F HA -0.132 4.396 4.527 0.001 0.000 0.294 140 F C 2.679 178.348 175.800 -0.219 0.000 1.095 140 F CA 1.342 59.185 58.000 -0.262 0.000 1.276 140 F CB -0.136 38.514 39.000 -0.583 0.000 1.023 140 F HN 0.058 nan 8.300 nan 0.000 0.480 141 H N -1.846 117.219 119.070 -0.009 0.000 2.495 141 H HA -0.039 4.518 4.556 0.002 0.000 0.287 141 H C -0.019 174.613 175.328 -1.159 0.000 1.033 141 H CA 1.096 56.876 56.048 -0.445 0.000 1.307 141 H CB -0.431 29.081 29.762 -0.417 0.000 1.401 141 H HN 0.420 nan 8.280 nan 0.000 0.555 142 W N 0.545 121.731 121.300 -0.190 0.000 1.433 142 W HA 0.500 5.160 4.660 0.001 0.000 0.307 142 W C 0.802 177.282 176.519 -0.065 0.000 0.846 142 W CA -0.518 56.632 57.345 -0.326 0.000 2.535 142 W CB 0.073 29.035 29.460 -0.830 0.000 1.570 142 W HN -0.041 nan 8.180 nan 0.000 0.544 143 G N 1.014 109.845 108.800 0.051 0.000 2.606 143 G HA2 0.416 4.377 3.960 0.002 0.000 0.262 143 G HA3 0.416 4.377 3.960 0.002 0.000 0.262 143 G C -1.688 173.154 174.900 -0.096 0.000 1.394 143 G CA -1.037 44.219 45.100 0.260 0.000 1.044 143 G HN -0.248 nan 8.290 nan 0.000 0.553 144 P HA -0.032 nan 4.420 nan 0.000 0.216 144 P C 2.214 179.342 177.300 -0.287 0.000 1.153 144 P CA 0.402 63.386 63.100 -0.195 0.000 0.844 144 P CB 0.133 31.658 31.700 -0.290 0.000 0.787 145 L N -0.429 120.572 121.223 -0.371 0.000 2.064 145 L HA -0.171 4.170 4.340 0.002 0.000 0.216 145 L C -0.642 175.835 176.870 -0.655 0.000 1.077 145 L CA 2.692 57.240 54.840 -0.486 0.000 0.766 145 L CB -1.648 40.103 42.059 -0.513 0.000 0.890 145 L HN 0.083 nan 8.230 nan 0.000 0.435 146 P HA -0.138 nan 4.420 nan 0.000 0.215 146 P C 1.050 177.658 177.300 -1.153 0.000 1.157 146 P CA 1.343 63.575 63.100 -1.447 0.000 0.856 146 P CB -0.165 30.250 31.700 -2.142 0.000 0.786 147 W N 0.563 121.487 121.300 -0.627 0.000 2.321 147 W HA -0.202 4.458 4.660 0.001 0.000 0.306 147 W C 2.581 178.985 176.519 -0.191 0.000 1.217 147 W CA 0.775 57.942 57.345 -0.297 0.000 1.257 147 W CB -1.048 28.323 29.460 -0.148 0.000 1.145 147 W HN -0.105 nan 8.180 nan 0.000 0.509 148 A N 0.356 123.155 122.820 -0.035 0.000 1.997 148 A HA -0.305 4.016 4.320 0.002 0.000 0.221 148 A C 1.831 179.490 177.584 0.125 0.000 1.172 148 A CA 2.625 54.615 52.037 -0.078 0.000 0.645 148 A CB -1.512 17.159 19.000 -0.549 0.000 0.813 148 A HN 0.406 nan 8.150 nan 0.000 0.454 149 T N -4.396 110.143 114.554 -0.025 0.000 2.995 149 T HA -0.099 4.252 4.350 0.002 0.000 0.269 149 T C 1.716 176.639 174.700 0.371 0.000 1.091 149 T CA 1.186 63.324 62.100 0.063 0.000 1.128 149 T CB -0.420 68.362 68.868 -0.143 0.000 0.891 149 T HN 0.400 nan 8.240 nan 0.000 0.492 150 Y N 2.712 123.153 120.300 0.235 0.000 2.286 150 Y HA 0.020 4.571 4.550 0.002 0.000 0.293 150 Y C 3.132 179.201 175.900 0.282 0.000 1.124 150 Y CA -0.063 58.221 58.100 0.306 0.000 1.178 150 Y CB -1.097 37.609 38.460 0.410 0.000 1.010 150 Y HN 0.459 nan 8.280 nan 0.000 0.536 151 S N 0.023 116.007 115.700 0.473 0.000 2.389 151 S HA -0.347 4.124 4.470 0.002 0.000 0.231 151 S C 2.057 176.797 174.600 0.235 0.000 1.052 151 S CA 1.694 60.097 58.200 0.339 0.000 1.053 151 S CB -1.444 62.000 63.200 0.407 0.000 0.886 151 S HN 0.332 nan 8.310 nan 0.000 0.456 152 F N 1.833 121.868 119.950 0.141 0.000 2.126 152 F HA 0.103 4.630 4.527 0.002 0.000 0.299 152 F C 2.204 177.944 175.800 -0.101 0.000 1.096 152 F CA 1.425 59.440 58.000 0.025 0.000 1.255 152 F CB -0.224 38.802 39.000 0.043 0.000 0.997 152 F HN 0.185 nan 8.300 nan 0.000 0.479 153 L N -1.647 119.651 121.223 0.124 0.000 2.179 153 L HA -0.130 4.211 4.340 0.002 0.000 0.208 153 L C 2.415 179.324 176.870 0.065 0.000 1.096 153 L CA 0.798 55.664 54.840 0.045 0.000 0.779 153 L CB -0.685 41.500 42.059 0.210 0.000 0.922 153 L HN -0.006 nan 8.230 nan 0.000 0.443 154 S N -0.401 115.369 115.700 0.116 0.000 2.399 154 S HA -0.140 4.331 4.470 0.002 0.000 0.231 154 S C 1.954 176.577 174.600 0.037 0.000 1.022 154 S CA 0.975 59.263 58.200 0.147 0.000 0.983 154 S CB -0.001 63.324 63.200 0.208 0.000 0.803 154 S HN 0.164 nan 8.310 nan 0.000 0.480 155 V N 1.330 121.157 119.914 -0.145 0.000 2.407 155 V HA -0.048 4.073 4.120 0.002 0.000 0.245 155 V C 2.536 178.256 176.094 -0.623 0.000 1.041 155 V CA 1.415 63.557 62.300 -0.262 0.000 1.040 155 V CB -0.963 30.687 31.823 -0.288 0.000 0.671 155 V HN 0.504 nan 8.190 nan 0.000 0.455 156 A N -0.361 121.749 122.820 -1.184 0.000 1.902 156 A HA -0.207 4.114 4.320 0.002 0.000 0.217 156 A C 2.019 179.016 177.584 -0.979 0.000 1.181 156 A CA 1.896 52.953 52.037 -1.633 0.000 0.623 156 A CB -0.732 17.325 19.000 -1.573 0.000 0.818 156 A HN 0.466 nan 8.150 nan 0.000 0.443 157 F N 0.094 119.752 119.950 -0.488 0.000 2.186 157 F HA -0.022 4.506 4.527 0.002 0.000 0.299 157 F C 2.739 178.307 175.800 -0.387 0.000 1.090 157 F CA 0.732 58.482 58.000 -0.415 0.000 1.307 157 F CB -0.508 38.328 39.000 -0.273 0.000 1.019 157 F HN 0.266 nan 8.300 nan 0.000 0.489 158 A N -0.337 122.474 122.820 -0.014 0.000 1.851 158 A HA -0.307 4.014 4.320 0.002 0.000 0.216 158 A C 2.104 179.655 177.584 -0.056 0.000 1.195 158 A CA 1.984 54.052 52.037 0.052 0.000 0.622 158 A CB -1.637 17.483 19.000 0.200 0.000 0.831 158 A HN 0.503 nan 8.150 nan 0.000 0.444 159 Y N -0.409 119.753 120.300 -0.232 0.000 2.128 159 Y HA -0.248 4.303 4.550 0.002 0.000 0.284 159 Y C 1.987 177.740 175.900 -0.245 0.000 1.154 159 Y CA 1.957 59.863 58.100 -0.324 0.000 1.149 159 Y CB -0.541 37.661 38.460 -0.430 0.000 0.976 159 Y HN 0.246 nan 8.280 nan 0.000 0.505 160 F N -0.381 119.500 119.950 -0.115 0.000 2.091 160 F HA -0.245 4.283 4.527 0.002 0.000 0.299 160 F C 2.178 177.795 175.800 -0.305 0.000 1.103 160 F CA 1.265 59.097 58.000 -0.279 0.000 1.228 160 F CB -1.637 37.172 39.000 -0.319 0.000 0.984 160 F HN 0.096 nan 8.300 nan 0.000 0.477 161 F N -1.100 118.735 119.950 -0.192 0.000 2.134 161 F HA -0.190 4.338 4.527 0.002 0.000 0.299 161 F C 2.086 177.602 175.800 -0.472 0.000 1.097 161 F CA 1.285 58.983 58.000 -0.503 0.000 1.264 161 F CB -1.081 37.294 39.000 -1.041 0.000 1.001 161 F HN -0.099 nan 8.300 nan 0.000 0.479 162 F N -2.643 117.394 119.950 0.145 0.000 2.577 162 F HA 0.186 4.714 4.527 0.002 0.000 0.276 162 F C 1.998 177.728 175.800 -0.116 0.000 1.032 162 F CA -0.056 57.961 58.000 0.029 0.000 1.297 162 F CB -1.245 37.789 39.000 0.057 0.000 1.061 162 F HN -0.415 nan 8.300 nan 0.000 0.680 163 V N 1.051 120.868 119.914 -0.162 0.000 2.970 163 V HA -0.062 4.059 4.120 0.002 0.000 0.260 163 V C 1.597 177.385 176.094 -0.511 0.000 1.100 163 V CA 1.328 63.366 62.300 -0.437 0.000 1.122 163 V CB -0.546 30.742 31.823 -0.892 0.000 0.721 163 V HN 0.271 nan 8.190 nan 0.000 0.483 164 R N -0.796 119.444 120.500 -0.433 0.000 2.535 164 R HA 0.228 4.570 4.340 0.002 0.000 0.323 164 R C 0.429 176.666 176.300 -0.105 0.000 0.979 164 R CA -0.361 55.572 56.100 -0.278 0.000 1.120 164 R CB 0.017 30.152 30.300 -0.274 0.000 1.306 164 R HN 0.366 nan 8.270 nan 0.000 0.540 165 K N 1.604 121.981 120.400 -0.039 0.000 3.333 165 K HA -0.196 4.125 4.320 0.002 0.000 0.267 165 K C -0.068 176.561 176.600 0.048 0.000 0.863 165 K CA 0.757 57.074 56.287 0.049 0.000 0.646 165 K CB -1.148 31.382 32.500 0.051 0.000 1.499 165 K HN 0.272 nan 8.250 nan 0.000 0.461 166 M N 0.487 120.110 119.600 0.039 0.000 2.255 166 M HA 0.127 4.608 4.480 0.002 0.000 0.336 166 M C 0.526 176.903 176.300 0.128 0.000 1.135 166 M CA 0.043 55.360 55.300 0.029 0.000 1.145 166 M CB 0.966 33.525 32.600 -0.067 0.000 1.473 166 M HN 0.109 nan 8.290 nan 0.000 0.462 167 E N 1.561 121.818 120.200 0.094 0.000 2.175 167 E HA 0.517 4.869 4.350 0.002 0.000 0.278 167 E C -1.815 174.870 176.600 0.142 0.000 0.969 167 E CA -0.535 55.956 56.400 0.152 0.000 0.796 167 E CB 1.489 31.244 29.700 0.092 0.000 1.104 167 E HN 0.456 nan 8.360 nan 0.000 0.395 168 V N 6.922 126.994 119.914 0.264 0.000 2.567 168 V HA 0.221 4.342 4.120 0.002 0.000 0.298 168 V C 0.379 176.611 176.094 0.230 0.000 1.047 168 V CA -0.307 62.118 62.300 0.209 0.000 0.880 168 V CB 1.490 33.411 31.823 0.163 0.000 1.009 168 V HN 0.707 nan 8.190 nan 0.000 0.429 169 I N 2.687 123.331 120.570 0.123 0.000 3.812 169 I HA 0.429 4.600 4.170 0.002 0.000 0.292 169 I C 0.779 176.906 176.117 0.018 0.000 1.206 169 I CA -0.128 61.224 61.300 0.086 0.000 1.370 169 I CB 0.331 38.368 38.000 0.062 0.000 1.328 169 I HN 0.385 nan 8.210 nan 0.000 0.453 170 R N 0.846 121.343 120.500 -0.006 0.000 2.807 170 R HA 0.397 4.738 4.340 0.002 0.000 0.276 170 R C -2.090 174.179 176.300 -0.051 0.000 0.979 170 R CA -1.615 54.432 56.100 -0.088 0.000 0.928 170 R CB 1.367 31.620 30.300 -0.077 0.000 1.191 170 R HN -0.292 nan 8.270 nan 0.000 0.471 171 P HA -0.283 nan 4.420 nan 0.000 0.218 171 P C 0.927 178.253 177.300 0.043 0.000 1.152 171 P CA 1.772 64.874 63.100 0.004 0.000 0.857 171 P CB 0.189 31.864 31.700 -0.041 0.000 0.787 172 S N -0.616 115.099 115.700 0.024 0.000 2.383 172 S HA -0.143 4.328 4.470 0.002 0.000 0.227 172 S C 2.019 176.630 174.600 0.017 0.000 1.026 172 S CA 1.408 59.638 58.200 0.051 0.000 0.981 172 S CB -1.749 61.487 63.200 0.060 0.000 0.818 172 S HN 0.284 nan 8.310 nan 0.000 0.472 173 S N 1.897 117.593 115.700 -0.007 0.000 2.571 173 S HA -0.094 4.378 4.470 0.002 0.000 0.245 173 S C 1.613 176.125 174.600 -0.147 0.000 0.976 173 S CA 1.234 59.408 58.200 -0.043 0.000 0.954 173 S CB -1.202 61.989 63.200 -0.016 0.000 0.756 173 S HN 0.854 nan 8.310 nan 0.000 0.535 174 T N -1.850 112.595 114.554 -0.180 0.000 3.001 174 T HA 0.374 4.725 4.350 0.002 0.000 0.251 174 T C 1.387 175.923 174.700 -0.274 0.000 1.040 174 T CA -0.245 61.588 62.100 -0.445 0.000 0.985 174 T CB -0.363 68.234 68.868 -0.452 0.000 1.011 174 T HN 0.361 nan 8.240 nan 0.000 0.509 175 L N 1.163 122.341 121.223 -0.075 0.000 2.418 175 L HA 0.118 4.459 4.340 0.002 0.000 0.218 175 L C 2.517 179.405 176.870 0.029 0.000 1.125 175 L CA 0.073 54.934 54.840 0.035 0.000 0.835 175 L CB -0.407 41.735 42.059 0.138 0.000 0.953 175 L HN 0.117 nan 8.230 nan 0.000 0.454 176 V N 0.934 120.837 119.914 -0.017 0.000 2.277 176 V HA -0.280 3.841 4.120 0.002 0.000 0.255 176 V C -0.201 175.898 176.094 0.008 0.000 1.074 176 V CA 2.420 64.717 62.300 -0.005 0.000 1.058 176 V CB -1.736 30.063 31.823 -0.040 0.000 0.656 176 V HN 0.413 nan 8.190 nan 0.000 0.449 177 P HA -0.066 nan 4.420 nan 0.000 0.219 177 P C 1.809 179.131 177.300 0.038 0.000 1.150 177 P CA 0.945 64.062 63.100 0.028 0.000 0.814 177 P CB -0.023 31.709 31.700 0.053 0.000 0.787 178 L N -0.260 120.992 121.223 0.050 0.000 2.179 178 L HA -0.001 4.341 4.340 0.002 0.000 0.208 178 L C 1.759 178.637 176.870 0.013 0.000 1.096 178 L CA 1.427 56.297 54.840 0.050 0.000 0.779 178 L CB -0.298 41.813 42.059 0.086 0.000 0.922 178 L HN -0.065 nan 8.230 nan 0.000 0.443 179 V N -3.517 116.402 119.914 0.008 0.000 3.411 179 V HA 0.637 4.758 4.120 0.002 0.000 0.287 179 V C 0.549 176.654 176.094 0.018 0.000 1.543 179 V CA 0.269 62.538 62.300 -0.052 0.000 1.028 179 V CB -0.210 31.535 31.823 -0.131 0.000 0.840 179 V HN 0.503 nan 8.190 nan 0.000 0.435 180 G N 1.267 110.088 108.800 0.034 0.000 3.190 180 G HA2 -0.171 3.790 3.960 0.002 0.000 0.686 180 G HA3 -0.171 3.790 3.960 0.002 0.000 0.686 180 G C 0.103 175.027 174.900 0.041 0.000 1.033 180 G CA 0.260 45.382 45.100 0.037 0.000 0.797 180 G HN 0.614 nan 8.290 nan 0.000 0.567 181 E N 1.378 121.589 120.200 0.019 0.000 2.208 181 E HA -0.291 4.060 4.350 0.002 0.000 0.202 181 E C 2.838 179.448 176.600 0.017 0.000 1.014 181 E CA 2.956 59.366 56.400 0.016 0.000 0.819 181 E CB -0.139 29.562 29.700 0.002 0.000 0.735 181 E HN 1.051 nan 8.360 nan 0.000 0.469 182 K N 0.278 120.674 120.400 -0.006 0.000 1.987 182 K HA -0.245 4.076 4.320 0.002 0.000 0.216 182 K C 1.817 178.386 176.600 -0.051 0.000 1.051 182 K CA 2.126 58.378 56.287 -0.059 0.000 0.942 182 K CB -1.452 30.972 32.500 -0.127 0.000 0.722 182 K HN 0.478 nan 8.250 nan 0.000 0.444 183 H N -0.912 118.161 119.070 0.005 0.000 2.462 183 H HA 0.284 4.841 4.556 0.002 0.000 0.292 183 H C 2.522 177.940 175.328 0.149 0.000 1.049 183 H CA 1.050 57.120 56.048 0.036 0.000 1.334 183 H CB 0.213 29.900 29.762 -0.125 0.000 1.404 183 H HN 0.591 nan 8.280 nan 0.000 0.544 184 A N 0.929 123.888 122.820 0.233 0.000 1.897 184 A HA -0.108 4.213 4.320 0.002 0.000 0.215 184 A C 2.038 179.705 177.584 0.138 0.000 1.181 184 A CA 1.021 53.181 52.037 0.206 0.000 0.620 184 A CB 0.001 19.077 19.000 0.127 0.000 0.821 184 A HN 0.150 nan 8.150 nan 0.000 0.443 185 K N 0.246 120.701 120.400 0.092 0.000 2.097 185 K HA -0.047 4.274 4.320 0.002 0.000 0.205 185 K C 1.545 178.192 176.600 0.078 0.000 1.050 185 K CA 0.821 57.146 56.287 0.064 0.000 0.938 185 K CB -0.901 31.621 32.500 0.036 0.000 0.718 185 K HN 0.436 nan 8.250 nan 0.000 0.442 186 G N 1.610 110.469 108.800 0.098 0.000 2.393 186 G HA2 0.030 3.991 3.960 0.002 0.000 0.268 186 G HA3 0.030 3.991 3.960 0.002 0.000 0.268 186 G C 1.258 176.242 174.900 0.141 0.000 1.472 186 G CA 0.158 45.321 45.100 0.105 0.000 1.059 186 G HN 0.290 nan 8.290 nan 0.000 0.555 187 L N -3.020 118.302 121.223 0.165 0.000 2.249 187 L HA 0.332 4.673 4.340 0.002 0.000 0.207 187 L C 2.533 179.511 176.870 0.180 0.000 1.090 187 L CA 0.778 55.704 54.840 0.144 0.000 0.802 187 L CB -0.515 41.615 42.059 0.119 0.000 0.947 187 L HN 0.370 nan 8.230 nan 0.000 0.453 188 F N 2.714 122.746 119.950 0.137 0.000 2.063 188 F HA -0.190 4.338 4.527 0.002 0.000 0.298 188 F C 2.241 178.102 175.800 0.102 0.000 1.105 188 F CA 2.141 60.213 58.000 0.120 0.000 1.215 188 F CB -0.651 38.428 39.000 0.133 0.000 0.972 188 F HN 0.129 nan 8.300 nan 0.000 0.483 189 G N -1.886 107.049 108.800 0.225 0.000 2.484 189 G HA2 -0.133 3.828 3.960 0.002 0.000 0.218 189 G HA3 -0.133 3.828 3.960 0.002 0.000 0.218 189 G C 1.536 176.455 174.900 0.032 0.000 1.130 189 G CA 1.096 46.259 45.100 0.105 0.000 0.784 189 G HN 0.423 nan 8.290 nan 0.000 0.543 190 T N 1.365 115.946 114.554 0.044 0.000 2.851 190 T HA 0.020 4.371 4.350 0.002 0.000 0.262 190 T C 2.404 177.090 174.700 -0.022 0.000 1.043 190 T CA 0.709 62.824 62.100 0.026 0.000 1.140 190 T CB -0.081 68.816 68.868 0.047 0.000 0.872 190 T HN 0.290 nan 8.240 nan 0.000 0.446 191 I N 1.069 121.603 120.570 -0.060 0.000 2.179 191 I HA -0.146 4.025 4.170 0.002 0.000 0.242 191 I C 2.476 178.553 176.117 -0.065 0.000 1.088 191 I CA 0.877 62.099 61.300 -0.130 0.000 1.357 191 I CB -0.795 37.130 38.000 -0.125 0.000 1.051 191 I HN 0.044 nan 8.210 nan 0.000 0.409 192 V N 1.167 121.038 119.914 -0.072 0.000 2.287 192 V HA -0.314 3.807 4.120 0.002 0.000 0.248 192 V C 1.979 178.149 176.094 0.127 0.000 1.053 192 V CA 2.250 64.565 62.300 0.025 0.000 1.027 192 V CB -0.736 31.023 31.823 -0.107 0.000 0.646 192 V HN 0.404 nan 8.190 nan 0.000 0.447 193 D N -0.374 120.061 120.400 0.058 0.000 2.264 193 D HA -0.090 4.551 4.640 0.002 0.000 0.208 193 D C 2.005 178.360 176.300 0.092 0.000 0.966 193 D CA 0.642 54.678 54.000 0.059 0.000 0.864 193 D CB -0.254 40.550 40.800 0.007 0.000 0.933 193 D HN 0.401 nan 8.370 nan 0.000 0.499 194 N N -0.332 118.396 118.700 0.046 0.000 2.182 194 N HA -0.005 4.736 4.740 0.002 0.000 0.186 194 N C 1.783 177.318 175.510 0.043 0.000 1.036 194 N CA 0.323 53.368 53.050 -0.008 0.000 0.850 194 N CB -0.529 37.887 38.487 -0.117 0.000 1.010 194 N HN 0.187 nan 8.380 nan 0.000 0.432 195 F N 0.783 120.767 119.950 0.056 0.000 2.087 195 F HA -0.324 4.204 4.527 0.002 0.000 0.299 195 F C 2.442 178.285 175.800 0.072 0.000 1.100 195 F CA 1.302 59.337 58.000 0.058 0.000 1.226 195 F CB -0.375 38.655 39.000 0.050 0.000 0.983 195 F HN 0.099 nan 8.300 nan 0.000 0.479 196 Y N 0.819 121.245 120.300 0.210 0.000 2.030 196 Y HA -0.301 4.250 4.550 0.002 0.000 0.274 196 Y C 2.187 178.110 175.900 0.039 0.000 1.153 196 Y CA 1.756 59.925 58.100 0.116 0.000 1.115 196 Y CB -0.866 37.646 38.460 0.087 0.000 0.969 196 Y HN -0.045 nan 8.280 nan 0.000 0.488 197 L N -0.999 120.430 121.223 0.343 0.000 1.956 197 L HA -0.311 4.030 4.340 0.002 0.000 0.216 197 L C 2.416 179.235 176.870 -0.084 0.000 1.073 197 L CA 1.849 56.759 54.840 0.116 0.000 0.762 197 L CB -0.964 41.086 42.059 -0.015 0.000 0.889 197 L HN 0.167 nan 8.230 nan 0.000 0.433 198 V N 0.041 119.905 119.914 -0.084 0.000 2.250 198 V HA -0.419 3.702 4.120 0.002 0.000 0.253 198 V C 2.715 178.661 176.094 -0.247 0.000 1.065 198 V CA 2.123 64.301 62.300 -0.204 0.000 1.039 198 V CB -1.389 30.403 31.823 -0.051 0.000 0.647 198 V HN 0.579 nan 8.190 nan 0.000 0.446 199 A N 0.098 122.908 122.820 -0.015 0.000 1.873 199 A HA -0.256 4.065 4.320 0.002 0.000 0.218 199 A C 2.209 179.751 177.584 -0.069 0.000 1.193 199 A CA 2.410 54.480 52.037 0.054 0.000 0.629 199 A CB -0.774 18.229 19.000 0.006 0.000 0.826 199 A HN 0.502 nan 8.150 nan 0.000 0.447 200 L N 0.415 121.516 121.223 -0.203 0.000 2.081 200 L HA -0.190 4.151 4.340 0.002 0.000 0.212 200 L C 2.173 178.955 176.870 -0.146 0.000 1.080 200 L CA 1.847 56.560 54.840 -0.213 0.000 0.754 200 L CB -0.572 41.373 42.059 -0.190 0.000 0.893 200 L HN 0.469 nan 8.230 nan 0.000 0.433 201 I N -1.188 119.255 120.570 -0.212 0.000 2.076 201 I HA -0.297 3.874 4.170 0.002 0.000 0.237 201 I C 2.544 178.602 176.117 -0.100 0.000 1.059 201 I CA 1.524 62.693 61.300 -0.218 0.000 1.317 201 I CB -1.877 35.911 38.000 -0.353 0.000 1.037 201 I HN 0.125 nan 8.210 nan 0.000 0.398 202 F N 1.799 121.742 119.950 -0.013 0.000 2.063 202 F HA -0.281 4.247 4.527 0.002 0.000 0.298 202 F C 2.875 178.661 175.800 -0.022 0.000 1.105 202 F CA 1.611 59.602 58.000 -0.014 0.000 1.215 202 F CB -1.573 37.410 39.000 -0.028 0.000 0.972 202 F HN 0.107 nan 8.300 nan 0.000 0.483 203 A N 0.062 122.961 122.820 0.132 0.000 1.859 203 A HA -0.287 4.034 4.320 0.002 0.000 0.217 203 A C 2.319 180.032 177.584 0.214 0.000 1.198 203 A CA 2.318 54.401 52.037 0.077 0.000 0.629 203 A CB -1.004 17.919 19.000 -0.129 0.000 0.830 203 A HN 0.398 nan 8.150 nan 0.000 0.446 204 M N -0.747 118.943 119.600 0.150 0.000 2.144 204 M HA -0.180 4.301 4.480 0.002 0.000 0.260 204 M C 2.223 178.636 176.300 0.189 0.000 1.067 204 M CA 1.538 56.958 55.300 0.200 0.000 1.095 204 M CB -0.654 32.014 32.600 0.113 0.000 1.365 204 M HN 0.577 nan 8.290 nan 0.000 0.406 205 G N -0.177 108.719 108.800 0.161 0.000 2.424 205 G HA2 -0.218 3.744 3.960 0.002 0.000 0.214 205 G HA3 -0.218 3.744 3.960 0.002 0.000 0.214 205 G C 1.496 176.482 174.900 0.144 0.000 1.202 205 G CA 1.389 46.579 45.100 0.151 0.000 0.793 205 G HN 0.503 nan 8.290 nan 0.000 0.534 206 T N 0.763 115.398 114.554 0.135 0.000 2.778 206 T HA -0.225 4.126 4.350 0.002 0.000 0.269 206 T C 2.529 177.336 174.700 0.177 0.000 1.050 206 T CA 2.556 64.706 62.100 0.084 0.000 1.137 206 T CB -0.639 68.208 68.868 -0.034 0.000 0.860 206 T HN 0.413 nan 8.240 nan 0.000 0.468 207 S N 1.850 117.742 115.700 0.319 0.000 2.368 207 S HA -0.017 4.454 4.470 0.002 0.000 0.224 207 S C 1.973 176.681 174.600 0.181 0.000 1.029 207 S CA 1.023 59.459 58.200 0.393 0.000 0.988 207 S CB -0.942 62.539 63.200 0.468 0.000 0.838 207 S HN 0.396 nan 8.310 nan 0.000 0.462 208 L N 2.982 124.290 121.223 0.142 0.000 2.083 208 L HA 0.152 4.493 4.340 0.002 0.000 0.209 208 L C 2.408 179.325 176.870 0.079 0.000 1.083 208 L CA 1.932 56.827 54.840 0.091 0.000 0.752 208 L CB -1.447 40.674 42.059 0.102 0.000 0.899 208 L HN 0.408 nan 8.230 nan 0.000 0.433 209 G N -0.938 107.900 108.800 0.063 0.000 2.470 209 G HA2 -0.184 3.777 3.960 0.002 0.000 0.220 209 G HA3 -0.184 3.777 3.960 0.002 0.000 0.220 209 G C 1.577 176.430 174.900 -0.078 0.000 1.121 209 G CA 0.914 46.022 45.100 0.014 0.000 0.766 209 G HN 0.436 nan 8.290 nan 0.000 0.553 210 L N 0.050 121.192 121.223 -0.135 0.000 2.127 210 L HA 0.124 4.465 4.340 0.002 0.000 0.203 210 L C 3.346 180.083 176.870 -0.221 0.000 1.080 210 L CA 0.747 55.336 54.840 -0.420 0.000 0.768 210 L CB -0.352 41.416 42.059 -0.485 0.000 0.924 210 L HN 0.281 nan 8.230 nan 0.000 0.444 211 A N 0.036 122.830 122.820 -0.044 0.000 1.883 211 A HA -0.223 4.098 4.320 0.002 0.000 0.217 211 A C 2.323 179.994 177.584 0.145 0.000 1.186 211 A CA 2.481 54.551 52.037 0.055 0.000 0.624 211 A CB -0.996 18.022 19.000 0.030 0.000 0.822 211 A HN 0.376 nan 8.150 nan 0.000 0.444 212 T N 0.667 115.316 114.554 0.158 0.000 2.580 212 T HA -0.110 4.242 4.350 0.002 0.000 0.265 212 T C -0.158 174.683 174.700 0.236 0.000 1.063 212 T CA 2.058 64.303 62.100 0.242 0.000 1.170 212 T CB -1.393 67.591 68.868 0.193 0.000 0.863 212 T HN 0.409 nan 8.240 nan 0.000 0.418 213 P HA 0.048 nan 4.420 nan 0.000 0.221 213 P C 1.419 178.815 177.300 0.160 0.000 1.145 213 P CA 0.752 64.017 63.100 0.276 0.000 0.795 213 P CB -0.245 31.566 31.700 0.184 0.000 0.775 214 L N -1.334 119.996 121.223 0.178 0.000 2.072 214 L HA -0.113 4.228 4.340 0.002 0.000 0.205 214 L C 2.248 179.277 176.870 0.265 0.000 1.079 214 L CA 1.319 56.280 54.840 0.202 0.000 0.752 214 L CB -0.981 41.260 42.059 0.303 0.000 0.906 214 L HN -0.094 nan 8.230 nan 0.000 0.436 215 V N -0.627 119.484 119.914 0.330 0.000 2.307 215 V HA -0.232 3.889 4.120 0.002 0.000 0.245 215 V C 2.618 178.847 176.094 0.223 0.000 1.045 215 V CA 2.278 64.834 62.300 0.427 0.000 1.024 215 V CB -1.368 30.811 31.823 0.593 0.000 0.651 215 V HN 0.608 nan 8.190 nan 0.000 0.449 216 T N -2.583 112.088 114.554 0.196 0.000 2.985 216 T HA -0.043 4.308 4.350 0.002 0.000 0.266 216 T C 1.695 176.465 174.700 0.116 0.000 1.076 216 T CA 0.785 62.962 62.100 0.127 0.000 1.135 216 T CB -0.159 68.820 68.868 0.185 0.000 0.890 216 T HN 0.382 nan 8.240 nan 0.000 0.480 217 E N 0.331 120.585 120.200 0.090 0.000 2.216 217 E HA 0.025 4.376 4.350 0.002 0.000 0.192 217 E C 2.257 178.828 176.600 -0.048 0.000 0.988 217 E CA 0.322 56.693 56.400 -0.048 0.000 0.834 217 E CB -0.340 29.247 29.700 -0.187 0.000 0.772 217 E HN 0.524 nan 8.360 nan 0.000 0.479 218 C N 0.464 119.721 119.300 -0.071 0.000 2.453 218 C HA -0.062 4.399 4.460 0.002 0.000 0.277 218 C C 2.752 177.519 174.990 -0.371 0.000 1.262 218 C CA 0.515 59.443 59.018 -0.151 0.000 1.718 218 C CB -0.801 26.871 27.740 -0.112 0.000 2.031 218 C HN 0.437 nan 8.230 nan 0.000 0.480 219 M N 0.131 119.350 119.600 -0.635 0.000 2.115 219 M HA -0.289 4.192 4.480 0.002 0.000 0.258 219 M C 2.350 178.442 176.300 -0.346 0.000 1.071 219 M CA 2.219 56.994 55.300 -0.875 0.000 1.100 219 M CB -1.183 30.950 32.600 -0.779 0.000 1.292 219 M HN 0.480 nan 8.290 nan 0.000 0.415 220 Q N -0.351 119.350 119.800 -0.165 0.000 2.217 220 Q HA -0.266 4.075 4.340 0.002 0.000 0.209 220 Q C 1.896 177.905 176.000 0.015 0.000 0.988 220 Q CA 2.191 57.972 55.803 -0.036 0.000 0.878 220 Q CB -0.293 28.447 28.738 0.002 0.000 0.909 220 Q HN 0.659 nan 8.270 nan 0.000 0.424 221 W N 0.214 121.437 121.300 -0.129 0.000 2.441 221 W HA 0.004 4.665 4.660 0.002 0.000 0.302 221 W C 1.621 178.106 176.519 -0.058 0.000 1.191 221 W CA 0.977 58.260 57.345 -0.104 0.000 1.327 221 W CB -0.036 29.349 29.460 -0.125 0.000 1.128 221 W HN 0.095 nan 8.180 nan 0.000 0.522 222 L N -0.718 120.686 121.223 0.302 0.000 2.109 222 L HA -0.127 4.214 4.340 0.002 0.000 0.207 222 L C 2.029 178.928 176.870 0.049 0.000 1.086 222 L CA 0.977 55.925 54.840 0.180 0.000 0.760 222 L CB -0.741 41.405 42.059 0.144 0.000 0.910 222 L HN -0.004 nan 8.230 nan 0.000 0.437 223 F N -1.115 118.729 119.950 -0.176 0.000 2.390 223 F HA 0.334 4.862 4.527 0.002 0.000 0.281 223 F C 1.900 177.627 175.800 -0.121 0.000 1.016 223 F CA 0.569 58.498 58.000 -0.119 0.000 1.286 223 F CB -0.721 38.224 39.000 -0.092 0.000 1.134 223 F HN 0.041 nan 8.300 nan 0.000 0.597 224 G N -0.034 108.819 108.800 0.088 0.000 2.421 224 G HA2 -0.165 3.796 3.960 0.002 0.000 0.188 224 G HA3 -0.165 3.796 3.960 0.002 0.000 0.188 224 G C 0.199 175.104 174.900 0.009 0.000 1.001 224 G CA -0.263 44.834 45.100 -0.004 0.000 0.693 224 G HN 0.170 nan 8.290 nan 0.000 0.479 225 I N 3.330 123.920 120.570 0.033 0.000 2.792 225 I HA 0.159 4.331 4.170 0.002 0.000 0.284 225 I C -1.833 174.281 176.117 -0.005 0.000 1.166 225 I CA -1.158 60.144 61.300 0.004 0.000 1.375 225 I CB 0.175 38.159 38.000 -0.026 0.000 1.421 225 I HN -0.064 nan 8.210 nan 0.000 0.544 226 P HA -0.113 nan 4.420 nan 0.000 0.261 226 P C -0.314 177.011 177.300 0.042 0.000 1.183 226 P CA 0.182 63.300 63.100 0.031 0.000 0.761 226 P CB 0.162 31.876 31.700 0.023 0.000 0.785 227 H N 3.168 122.225 119.070 -0.021 0.000 3.289 227 H HA 0.223 4.780 4.556 0.002 0.000 0.248 227 H C 0.347 175.675 175.328 -0.001 0.000 1.175 227 H CA 0.211 56.248 56.048 -0.017 0.000 1.496 227 H CB -0.200 29.555 29.762 -0.012 0.000 1.571 227 H HN 0.356 nan 8.280 nan 0.000 0.495 228 T N 1.184 115.605 114.554 -0.221 0.000 2.905 228 T HA 0.171 4.522 4.350 0.002 0.000 0.283 228 T C 0.946 175.496 174.700 -0.251 0.000 1.031 228 T CA -0.971 61.033 62.100 -0.161 0.000 1.002 228 T CB 1.142 69.965 68.868 -0.075 0.000 1.200 228 T HN 0.433 nan 8.240 nan 0.000 0.560 229 L N 0.569 121.710 121.223 -0.137 0.000 2.131 229 L HA 0.135 4.477 4.340 0.002 0.000 0.206 229 L C 2.816 179.632 176.870 -0.091 0.000 1.087 229 L CA 1.536 56.308 54.840 -0.113 0.000 0.767 229 L CB -0.781 41.245 42.059 -0.054 0.000 0.917 229 L HN 0.752 nan 8.230 nan 0.000 0.441 230 Q N -1.062 118.695 119.800 -0.071 0.000 2.508 230 Q HA -0.167 4.174 4.340 0.002 0.000 0.214 230 Q C 1.725 177.683 176.000 -0.069 0.000 0.979 230 Q CA 0.958 56.729 55.803 -0.054 0.000 0.911 230 Q CB -0.109 28.606 28.738 -0.038 0.000 0.969 230 Q HN 0.407 nan 8.270 nan 0.000 0.504 231 L N -0.081 121.079 121.223 -0.105 0.000 2.425 231 L HA 0.088 4.429 4.340 0.002 0.000 0.215 231 L C 1.234 178.024 176.870 -0.133 0.000 1.065 231 L CA 1.318 56.087 54.840 -0.118 0.000 0.842 231 L CB 0.158 42.139 42.059 -0.130 0.000 1.033 231 L HN -0.123 nan 8.230 nan 0.000 0.474 232 D N 0.480 120.784 120.400 -0.160 0.000 2.144 232 D HA -0.081 4.560 4.640 0.002 0.000 0.200 232 D C 2.098 178.364 176.300 -0.056 0.000 0.978 232 D CA 1.459 55.393 54.000 -0.110 0.000 0.833 232 D CB 0.087 40.819 40.800 -0.112 0.000 0.961 232 D HN 0.485 nan 8.370 nan 0.000 0.470 233 A N 0.291 123.079 122.820 -0.054 0.000 2.021 233 A HA 0.010 4.331 4.320 0.002 0.000 0.216 233 A C 2.294 179.851 177.584 -0.046 0.000 1.163 233 A CA 0.177 52.197 52.037 -0.027 0.000 0.676 233 A CB -0.441 18.551 19.000 -0.014 0.000 0.818 233 A HN 0.133 nan 8.150 nan 0.000 0.453 234 I N 0.066 120.595 120.570 -0.069 0.000 2.151 234 I HA -0.306 3.865 4.170 0.002 0.000 0.243 234 I C 2.163 178.201 176.117 -0.133 0.000 1.080 234 I CA 1.599 62.850 61.300 -0.081 0.000 1.339 234 I CB -0.168 37.780 38.000 -0.087 0.000 1.039 234 I HN 0.330 nan 8.210 nan 0.000 0.409 235 I N 0.172 120.627 120.570 -0.193 0.000 2.617 235 I HA -0.198 3.974 4.170 0.002 0.000 0.256 235 I C 2.287 178.096 176.117 -0.513 0.000 1.167 235 I CA 0.965 62.016 61.300 -0.414 0.000 1.469 235 I CB -0.195 37.532 38.000 -0.454 0.000 1.098 235 I HN 0.178 nan 8.210 nan 0.000 0.436 236 I N 1.254 121.736 120.570 -0.147 0.000 2.423 236 I HA -0.268 3.904 4.170 0.002 0.000 0.254 236 I C 2.723 178.889 176.117 0.082 0.000 1.151 236 I CA 1.879 63.238 61.300 0.097 0.000 1.421 236 I CB -0.685 37.397 38.000 0.135 0.000 1.079 236 I HN 0.411 nan 8.210 nan 0.000 0.431 237 T N -2.085 112.464 114.554 -0.007 0.000 2.894 237 T HA -0.094 4.257 4.350 0.002 0.000 0.258 237 T C 2.060 176.768 174.700 0.014 0.000 1.043 237 T CA 0.885 62.995 62.100 0.018 0.000 1.141 237 T CB -0.831 68.038 68.868 0.001 0.000 0.873 237 T HN 0.343 nan 8.240 nan 0.000 0.449 238 C N 0.509 119.765 119.300 -0.073 0.000 2.393 238 C HA -0.078 4.383 4.460 0.002 0.000 0.276 238 C C 2.443 177.467 174.990 0.057 0.000 1.215 238 C CA 0.605 59.580 59.018 -0.071 0.000 1.743 238 C CB -1.880 25.717 27.740 -0.239 0.000 2.044 238 C HN 0.731 nan 8.230 nan 0.000 0.464 239 W N 0.890 122.191 121.300 0.003 0.000 2.302 239 W HA -0.177 4.484 4.660 0.002 0.000 0.320 239 W C 2.461 178.981 176.519 0.002 0.000 1.241 239 W CA 0.597 57.922 57.345 -0.034 0.000 1.264 239 W CB -0.526 28.906 29.460 -0.045 0.000 1.154 239 W HN 0.295 nan 8.180 nan 0.000 0.483 240 I N -0.233 120.487 120.570 0.250 0.000 2.226 240 I HA -0.314 3.858 4.170 0.002 0.000 0.245 240 I C 2.234 178.426 176.117 0.124 0.000 1.100 240 I CA 1.289 62.687 61.300 0.163 0.000 1.374 240 I CB -0.717 37.359 38.000 0.127 0.000 1.057 240 I HN 0.017 nan 8.210 nan 0.000 0.413 241 I N 0.271 120.904 120.570 0.106 0.000 2.076 241 I HA -0.338 3.833 4.170 0.002 0.000 0.237 241 I C 2.584 178.762 176.117 0.102 0.000 1.059 241 I CA 1.319 62.671 61.300 0.086 0.000 1.317 241 I CB -0.369 37.670 38.000 0.066 0.000 1.037 241 I HN 0.213 nan 8.210 nan 0.000 0.398 242 L N 1.506 122.806 121.223 0.128 0.000 2.021 242 L HA -0.311 4.030 4.340 0.002 0.000 0.215 242 L C 2.166 179.113 176.870 0.128 0.000 1.074 242 L CA 2.239 57.166 54.840 0.146 0.000 0.760 242 L CB -1.275 40.910 42.059 0.209 0.000 0.889 242 L HN 0.341 nan 8.230 nan 0.000 0.433 243 N N -0.388 118.392 118.700 0.133 0.000 2.000 243 N HA -0.220 4.521 4.740 0.002 0.000 0.198 243 N C 1.848 177.415 175.510 0.095 0.000 1.057 243 N CA 2.328 55.442 53.050 0.107 0.000 0.858 243 N CB -0.576 37.978 38.487 0.112 0.000 1.057 243 N HN 0.439 nan 8.380 nan 0.000 0.423 244 A N 0.642 123.517 122.820 0.092 0.000 1.896 244 A HA -0.236 4.086 4.320 0.002 0.000 0.220 244 A C 2.466 180.092 177.584 0.070 0.000 1.206 244 A CA 2.136 54.219 52.037 0.077 0.000 0.647 244 A CB -1.312 17.729 19.000 0.068 0.000 0.828 244 A HN 0.501 nan 8.150 nan 0.000 0.455 245 I N -0.537 120.077 120.570 0.072 0.000 2.118 245 I HA -0.403 3.768 4.170 0.002 0.000 0.241 245 I C 2.664 178.821 176.117 0.067 0.000 1.070 245 I CA 1.769 63.109 61.300 0.067 0.000 1.327 245 I CB -0.682 37.361 38.000 0.072 0.000 1.034 245 I HN 0.462 nan 8.210 nan 0.000 0.405 246 C N -0.115 119.230 119.300 0.075 0.000 2.413 246 C HA -0.123 4.338 4.460 0.002 0.000 0.276 246 C C 2.865 177.897 174.990 0.070 0.000 1.248 246 C CA 0.530 59.590 59.018 0.072 0.000 1.742 246 C CB -0.861 26.924 27.740 0.075 0.000 2.017 246 C HN 0.386 nan 8.230 nan 0.000 0.481 247 V N 1.050 121.009 119.914 0.075 0.000 2.488 247 V HA -0.058 4.063 4.120 0.002 0.000 0.246 247 V C 2.605 178.738 176.094 0.064 0.000 1.046 247 V CA 1.880 64.226 62.300 0.077 0.000 1.053 247 V CB -1.060 30.816 31.823 0.088 0.000 0.679 247 V HN 0.564 nan 8.190 nan 0.000 0.458 248 A N -1.891 120.963 122.820 0.058 0.000 2.216 248 A HA -0.169 4.152 4.320 0.002 0.000 0.214 248 A C 1.931 179.541 177.584 0.043 0.000 1.160 248 A CA 1.486 53.552 52.037 0.047 0.000 0.725 248 A CB -0.711 18.316 19.000 0.044 0.000 0.784 248 A HN 0.592 nan 8.150 nan 0.000 0.472 249 C N -1.239 118.090 119.300 0.048 0.000 2.974 249 C HA 0.454 4.915 4.460 0.002 0.000 0.282 249 C C 1.822 176.838 174.990 0.043 0.000 1.292 249 C CA -0.104 58.939 59.018 0.043 0.000 1.710 249 C CB -1.128 26.639 27.740 0.044 0.000 2.036 249 C HN 0.944 nan 8.230 nan 0.000 0.629 250 G N 1.532 110.361 108.800 0.049 0.000 2.341 250 G HA2 -0.274 3.687 3.960 0.002 0.000 0.292 250 G HA3 -0.274 3.687 3.960 0.002 0.000 0.292 250 G C 0.511 175.442 174.900 0.051 0.000 1.021 250 G CA 0.560 45.691 45.100 0.051 0.000 0.905 250 G HN 0.500 nan 8.290 nan 0.000 0.508 251 L N 0.709 121.964 121.223 0.053 0.000 2.591 251 L HA 0.151 4.493 4.340 0.002 0.000 0.228 251 L C 2.729 179.630 176.870 0.053 0.000 1.133 251 L CA 1.763 56.633 54.840 0.050 0.000 0.880 251 L CB -0.248 41.842 42.059 0.052 0.000 1.033 251 L HN 0.635 nan 8.230 nan 0.000 0.450 252 Q N 0.807 120.643 119.800 0.060 0.000 2.308 252 Q HA -0.292 4.049 4.340 0.002 0.000 0.209 252 Q C 1.588 177.619 176.000 0.051 0.000 0.985 252 Q CA 2.019 57.859 55.803 0.062 0.000 0.881 252 Q CB -0.610 28.175 28.738 0.078 0.000 0.917 252 Q HN 0.766 nan 8.270 nan 0.000 0.443 253 K N 0.326 120.754 120.400 0.046 0.000 2.103 253 K HA -0.071 4.250 4.320 0.002 0.000 0.207 253 K C 1.908 178.530 176.600 0.037 0.000 1.048 253 K CA 1.619 57.930 56.287 0.040 0.000 0.930 253 K CB -0.299 32.221 32.500 0.034 0.000 0.716 253 K HN 0.189 nan 8.250 nan 0.000 0.444 254 A N 0.995 123.837 122.820 0.037 0.000 2.095 254 A HA 0.138 4.459 4.320 0.002 0.000 0.212 254 A C 2.178 179.784 177.584 0.038 0.000 1.162 254 A CA 0.283 52.340 52.037 0.034 0.000 0.753 254 A CB -0.071 18.949 19.000 0.034 0.000 0.840 254 A HN 0.128 nan 8.150 nan 0.000 0.468 255 V N 0.603 120.542 119.914 0.041 0.000 2.343 255 V HA -0.292 3.829 4.120 0.002 0.000 0.247 255 V C 2.614 178.729 176.094 0.035 0.000 1.051 255 V CA 2.304 64.627 62.300 0.038 0.000 1.036 255 V CB -0.776 31.071 31.823 0.040 0.000 0.654 255 V HN 0.574 nan 8.190 nan 0.000 0.451 256 R N -0.101 120.423 120.500 0.040 0.000 2.105 256 R HA -0.156 4.185 4.340 0.002 0.000 0.239 256 R C 2.280 178.612 176.300 0.053 0.000 1.135 256 R CA 1.942 58.070 56.100 0.048 0.000 0.967 256 R CB -0.832 29.499 30.300 0.051 0.000 0.861 256 R HN 0.550 nan 8.270 nan 0.000 0.442 257 I N 0.332 120.926 120.570 0.041 0.000 2.439 257 I HA 0.079 4.250 4.170 0.002 0.000 0.251 257 I C 2.447 178.583 176.117 0.032 0.000 1.139 257 I CA 1.991 63.311 61.300 0.033 0.000 1.438 257 I CB -1.407 36.603 38.000 0.018 0.000 1.085 257 I HN 0.344 nan 8.210 nan 0.000 0.427 258 A N -0.774 122.066 122.820 0.034 0.000 1.898 258 A HA -0.088 4.234 4.320 0.002 0.000 0.214 258 A C 2.668 180.272 177.584 0.033 0.000 1.183 258 A CA 1.729 53.786 52.037 0.033 0.000 0.622 258 A CB -0.983 18.040 19.000 0.038 0.000 0.824 258 A HN 0.709 nan 8.150 nan 0.000 0.444 259 S N 0.294 116.013 115.700 0.032 0.000 2.372 259 S HA -0.263 4.208 4.470 0.002 0.000 0.227 259 S C 1.633 176.273 174.600 0.067 0.000 1.044 259 S CA 2.200 60.416 58.200 0.027 0.000 1.050 259 S CB -0.578 62.640 63.200 0.031 0.000 0.901 259 S HN 0.580 nan 8.310 nan 0.000 0.447 260 D N 1.243 121.717 120.400 0.124 0.000 2.097 260 D HA -0.051 4.590 4.640 0.002 0.000 0.195 260 D C 2.274 178.748 176.300 0.290 0.000 0.989 260 D CA 1.454 55.609 54.000 0.258 0.000 0.827 260 D CB -0.983 39.960 40.800 0.238 0.000 0.966 260 D HN 0.491 nan 8.370 nan 0.000 0.456 261 V N 1.183 121.167 119.914 0.118 0.000 2.453 261 V HA -0.272 3.849 4.120 0.002 0.000 0.252 261 V C 2.370 178.511 176.094 0.078 0.000 1.068 261 V CA 2.339 64.682 62.300 0.071 0.000 1.070 261 V CB -0.684 31.148 31.823 0.015 0.000 0.664 261 V HN 0.038 nan 8.190 nan 0.000 0.461 262 R N -0.196 120.325 120.500 0.035 0.000 2.061 262 R HA -0.129 4.212 4.340 0.002 0.000 0.230 262 R C 2.634 178.840 176.300 -0.157 0.000 1.140 262 R CA 1.743 57.812 56.100 -0.053 0.000 0.940 262 R CB -0.305 29.954 30.300 -0.068 0.000 0.839 262 R HN 0.599 nan 8.270 nan 0.000 0.429 263 S N 0.219 115.814 115.700 -0.175 0.000 2.368 263 S HA -0.208 4.263 4.470 0.002 0.000 0.226 263 S C 1.836 175.970 174.600 -0.777 0.000 1.044 263 S CA 1.840 59.718 58.200 -0.537 0.000 1.062 263 S CB -0.618 62.376 63.200 -0.344 0.000 0.931 263 S HN 0.428 nan 8.310 nan 0.000 0.440 264 Y N 0.960 121.119 120.300 -0.236 0.000 2.181 264 Y HA -0.092 4.459 4.550 0.002 0.000 0.288 264 Y C 2.369 178.213 175.900 -0.093 0.000 1.146 264 Y CA 0.758 58.843 58.100 -0.024 0.000 1.164 264 Y CB -0.483 38.034 38.460 0.095 0.000 0.982 264 Y HN 0.177 nan 8.280 nan 0.000 0.515 265 L N 0.120 121.345 121.223 0.004 0.000 2.042 265 L HA -0.216 4.125 4.340 0.002 0.000 0.210 265 L C 2.531 179.296 176.870 -0.176 0.000 1.076 265 L CA 2.251 57.048 54.840 -0.072 0.000 0.749 265 L CB -1.164 40.841 42.059 -0.090 0.000 0.893 265 L HN 0.290 nan 8.230 nan 0.000 0.432 266 S N -1.218 114.300 115.700 -0.303 0.000 2.387 266 S HA -0.144 4.327 4.470 0.002 0.000 0.226 266 S C 1.975 176.455 174.600 -0.199 0.000 1.026 266 S CA 0.889 58.886 58.200 -0.340 0.000 0.972 266 S CB -0.888 62.066 63.200 -0.410 0.000 0.814 266 S HN 0.359 nan 8.310 nan 0.000 0.477 267 F N 1.874 121.773 119.950 -0.084 0.000 2.102 267 F HA 0.109 4.637 4.527 0.002 0.000 0.298 267 F C 2.234 178.034 175.800 -0.001 0.000 1.105 267 F CA 0.380 58.358 58.000 -0.036 0.000 1.239 267 F CB -1.400 37.590 39.000 -0.015 0.000 0.991 267 F HN 0.260 nan 8.300 nan 0.000 0.474 268 L N -0.412 120.916 121.223 0.176 0.000 1.989 268 L HA -0.245 4.096 4.340 0.002 0.000 0.211 268 L C 2.336 179.265 176.870 0.098 0.000 1.071 268 L CA 1.804 56.721 54.840 0.128 0.000 0.749 268 L CB -0.614 41.488 42.059 0.071 0.000 0.890 268 L HN 0.004 nan 8.230 nan 0.000 0.431 269 M N -0.832 118.749 119.600 -0.031 0.000 2.065 269 M HA -0.233 4.248 4.480 0.002 0.000 0.259 269 M C 2.444 178.785 176.300 0.069 0.000 1.071 269 M CA 1.939 57.184 55.300 -0.093 0.000 1.109 269 M CB -1.311 30.988 32.600 -0.502 0.000 1.313 269 M HN 0.334 nan 8.290 nan 0.000 0.408 270 L N -0.401 120.845 121.223 0.039 0.000 2.021 270 L HA -0.220 4.121 4.340 0.002 0.000 0.215 270 L C 2.605 179.597 176.870 0.202 0.000 1.074 270 L CA 1.604 56.518 54.840 0.124 0.000 0.760 270 L CB -1.396 40.735 42.059 0.120 0.000 0.889 270 L HN 0.445 nan 8.230 nan 0.000 0.433 271 G N -0.854 108.064 108.800 0.198 0.000 2.446 271 G HA2 -0.313 3.648 3.960 0.002 0.000 0.217 271 G HA3 -0.313 3.648 3.960 0.002 0.000 0.217 271 G C 1.363 176.456 174.900 0.321 0.000 1.168 271 G CA 0.635 45.866 45.100 0.219 0.000 0.771 271 G HN 0.572 nan 8.290 nan 0.000 0.551 272 W N 1.043 122.412 121.300 0.115 0.000 2.329 272 W HA -0.203 4.458 4.660 0.002 0.000 0.324 272 W C 2.248 178.854 176.519 0.145 0.000 1.222 272 W CA 1.779 59.190 57.345 0.111 0.000 1.270 272 W CB -0.462 29.033 29.460 0.059 0.000 1.167 272 W HN 0.110 nan 8.180 nan 0.000 0.467 273 V N 1.294 121.254 119.914 0.076 0.000 2.469 273 V HA -0.343 3.779 4.120 0.002 0.000 0.251 273 V C 2.013 178.097 176.094 -0.017 0.000 1.064 273 V CA 2.209 64.481 62.300 -0.047 0.000 1.066 273 V CB -1.389 30.512 31.823 0.129 0.000 0.667 273 V HN 0.283 nan 8.190 nan 0.000 0.461 274 F N 1.524 121.464 119.950 -0.016 0.000 2.051 274 F HA -0.181 4.347 4.527 0.001 0.000 0.296 274 F C 2.240 178.021 175.800 -0.033 0.000 1.122 274 F CA 2.321 60.328 58.000 0.012 0.000 1.201 274 F CB -0.229 38.798 39.000 0.046 0.000 0.978 274 F HN 0.190 nan 8.300 nan 0.000 0.472 275 I N 0.706 121.340 120.570 0.107 0.000 2.546 275 I HA -0.049 4.122 4.170 0.002 0.000 0.255 275 I C 2.102 178.099 176.117 -0.199 0.000 1.163 275 I CA 1.709 63.007 61.300 -0.003 0.000 1.457 275 I CB -2.009 36.100 38.000 0.181 0.000 1.092 275 I HN 0.270 nan 8.210 nan 0.000 0.434 276 V N -0.454 119.245 119.914 -0.358 0.000 2.719 276 V HA -0.054 4.067 4.120 0.002 0.000 0.252 276 V C 2.508 178.428 176.094 -0.291 0.000 1.065 276 V CA 1.861 63.900 62.300 -0.435 0.000 1.086 276 V CB -0.776 30.558 31.823 -0.816 0.000 0.700 276 V HN 0.473 nan 8.190 nan 0.000 0.467 277 S N 0.356 115.895 115.700 -0.269 0.000 2.470 277 S HA 0.378 4.849 4.470 0.002 0.000 0.225 277 S C 1.158 175.659 174.600 -0.166 0.000 1.006 277 S CA 0.896 58.984 58.200 -0.188 0.000 0.934 277 S CB -0.463 62.661 63.200 -0.127 0.000 0.778 277 S HN 1.981 nan 8.310 nan 0.000 0.517 278 G N 0.173 108.835 108.800 -0.230 0.000 2.491 278 G HA2 0.235 4.196 3.960 0.002 0.000 0.508 278 G HA3 0.235 4.196 3.960 0.002 0.000 0.508 278 G C 0.444 175.204 174.900 -0.233 0.000 1.143 278 G CA -0.141 44.858 45.100 -0.169 0.000 1.277 278 G HN 0.565 nan 8.290 nan 0.000 0.599 279 A N 1.762 124.327 122.820 -0.425 0.000 1.873 279 A HA 0.019 4.341 4.320 0.002 0.000 0.218 279 A C 2.926 180.447 177.584 -0.105 0.000 1.193 279 A CA 3.018 54.733 52.037 -0.537 0.000 0.629 279 A CB -0.913 17.961 19.000 -0.209 0.000 0.826 279 A HN 2.120 nan 8.150 nan 0.000 0.447 280 S N -1.263 114.436 115.700 -0.001 0.000 2.378 280 S HA -0.277 4.194 4.470 0.002 0.000 0.229 280 S C 1.765 176.420 174.600 0.091 0.000 1.052 280 S CA 2.226 60.465 58.200 0.065 0.000 1.084 280 S CB -0.669 62.574 63.200 0.072 0.000 0.950 280 S HN 0.715 nan 8.310 nan 0.000 0.440 281 F N 2.351 122.287 119.950 -0.024 0.000 2.010 281 F HA -0.069 4.459 4.527 0.002 0.000 0.296 281 F C 2.088 177.940 175.800 0.087 0.000 1.146 281 F CA 1.957 59.965 58.000 0.012 0.000 1.181 281 F CB -0.951 38.026 39.000 -0.037 0.000 0.965 281 F HN 0.246 nan 8.300 nan 0.000 0.480 282 I N 0.096 120.597 120.570 -0.115 0.000 2.210 282 I HA -0.473 3.698 4.170 0.002 0.000 0.249 282 I C 2.378 178.516 176.117 0.036 0.000 1.047 282 I CA 1.776 63.037 61.300 -0.064 0.000 1.323 282 I CB -0.657 37.324 38.000 -0.033 0.000 1.017 282 I HN 0.360 nan 8.210 nan 0.000 0.427 283 M N -0.088 119.554 119.600 0.070 0.000 2.064 283 M HA -0.146 4.335 4.480 0.002 0.000 0.260 283 M C 2.065 178.421 176.300 0.094 0.000 1.073 283 M CA 1.648 57.029 55.300 0.135 0.000 1.124 283 M CB -1.710 30.972 32.600 0.137 0.000 1.326 283 M HN 0.299 nan 8.290 nan 0.000 0.410 284 N N -0.268 118.445 118.700 0.021 0.000 2.061 284 N HA -0.233 4.508 4.740 0.002 0.000 0.193 284 N C 1.860 177.343 175.510 -0.045 0.000 1.030 284 N CA 1.581 54.632 53.050 0.001 0.000 0.856 284 N CB -0.563 37.934 38.487 0.016 0.000 1.023 284 N HN 0.320 nan 8.380 nan 0.000 0.424 285 Y N 1.071 121.139 120.300 -0.387 0.000 2.181 285 Y HA -0.187 4.364 4.550 0.002 0.000 0.288 285 Y C 2.281 178.075 175.900 -0.175 0.000 1.146 285 Y CA 1.033 58.888 58.100 -0.410 0.000 1.164 285 Y CB -0.796 37.134 38.460 -0.884 0.000 0.982 285 Y HN -0.002 nan 8.280 nan 0.000 0.515 286 F N 0.369 120.163 119.950 -0.261 0.000 2.075 286 F HA -0.199 4.329 4.527 0.001 0.000 0.297 286 F C 2.240 177.897 175.800 -0.238 0.000 1.113 286 F CA 2.384 60.224 58.000 -0.268 0.000 1.218 286 F CB -0.916 38.023 39.000 -0.100 0.000 0.984 286 F HN -0.032 nan 8.300 nan 0.000 0.472 287 T N 0.061 114.564 114.554 -0.086 0.000 2.544 287 T HA -0.321 4.030 4.350 0.002 0.000 0.264 287 T C 1.550 176.101 174.700 -0.249 0.000 1.096 287 T CA 1.971 63.986 62.100 -0.141 0.000 1.181 287 T CB -0.799 68.079 68.868 0.017 0.000 0.864 287 T HN 0.369 nan 8.240 nan 0.000 0.415 288 D N 0.540 120.835 120.400 -0.175 0.000 2.149 288 D HA -0.116 4.525 4.640 0.002 0.000 0.194 288 D C 2.332 178.486 176.300 -0.244 0.000 1.001 288 D CA 1.452 55.364 54.000 -0.146 0.000 0.849 288 D CB -0.425 40.341 40.800 -0.056 0.000 0.939 288 D HN 0.250 nan 8.370 nan 0.000 0.449 289 S N -1.208 114.241 115.700 -0.418 0.000 2.382 289 S HA -0.123 4.348 4.470 0.002 0.000 0.228 289 S C 2.161 176.468 174.600 -0.489 0.000 1.027 289 S CA 0.845 58.740 58.200 -0.508 0.000 0.991 289 S CB -0.252 62.505 63.200 -0.737 0.000 0.823 289 S HN 0.177 nan 8.310 nan 0.000 0.469 290 V N 1.414 120.974 119.914 -0.590 0.000 2.343 290 V HA -0.160 3.961 4.120 0.002 0.000 0.247 290 V C 2.567 178.517 176.094 -0.241 0.000 1.051 290 V CA 1.977 63.986 62.300 -0.485 0.000 1.036 290 V CB -1.363 30.174 31.823 -0.475 0.000 0.654 290 V HN 0.591 nan 8.190 nan 0.000 0.451 291 G N -0.929 107.758 108.800 -0.188 0.000 2.422 291 G HA2 -0.249 3.712 3.960 0.002 0.000 0.218 291 G HA3 -0.249 3.712 3.960 0.002 0.000 0.218 291 G C 1.551 176.403 174.900 -0.080 0.000 1.146 291 G CA 0.972 46.009 45.100 -0.106 0.000 0.769 291 G HN 0.314 nan 8.290 nan 0.000 0.547 292 M N -0.117 119.426 119.600 -0.094 0.000 2.065 292 M HA -0.065 4.416 4.480 0.002 0.000 0.259 292 M C 2.549 178.843 176.300 -0.010 0.000 1.071 292 M CA 1.118 56.410 55.300 -0.012 0.000 1.109 292 M CB -1.117 31.417 32.600 -0.111 0.000 1.313 292 M HN 0.308 nan 8.290 nan 0.000 0.408 293 L N 1.060 122.207 121.223 -0.128 0.000 1.997 293 L HA -0.208 4.133 4.340 0.002 0.000 0.216 293 L C 2.242 179.090 176.870 -0.037 0.000 1.074 293 L CA 1.883 56.657 54.840 -0.109 0.000 0.763 293 L CB -1.113 40.855 42.059 -0.152 0.000 0.890 293 L HN 0.270 nan 8.230 nan 0.000 0.434 294 L N -1.151 120.046 121.223 -0.044 0.000 2.079 294 L HA -0.249 4.092 4.340 0.002 0.000 0.210 294 L C 2.615 179.453 176.870 -0.053 0.000 1.081 294 L CA 2.064 56.888 54.840 -0.028 0.000 0.752 294 L CB -0.461 41.580 42.059 -0.030 0.000 0.896 294 L HN 0.587 nan 8.230 nan 0.000 0.433 295 M N -2.575 116.979 119.600 -0.077 0.000 2.466 295 M HA -0.100 4.381 4.480 0.002 0.000 0.265 295 M C 1.779 177.900 176.300 -0.298 0.000 1.122 295 M CA 1.478 56.668 55.300 -0.183 0.000 1.157 295 M CB -0.191 32.273 32.600 -0.227 0.000 1.352 295 M HN -0.042 nan 8.290 nan 0.000 0.464 296 Y N 0.674 120.854 120.300 -0.201 0.000 2.517 296 Y HA 0.143 4.694 4.550 0.002 0.000 0.281 296 Y C 2.065 177.827 175.900 -0.230 0.000 1.125 296 Y CA 0.524 58.458 58.100 -0.277 0.000 1.283 296 Y CB -0.114 38.128 38.460 -0.364 0.000 1.042 296 Y HN 0.247 nan 8.280 nan 0.000 0.547 297 L N 0.974 122.185 121.223 -0.021 0.000 2.058 297 L HA -0.304 4.037 4.340 0.002 0.000 0.226 297 L C -0.819 176.094 176.870 0.071 0.000 1.089 297 L CA 2.153 57.024 54.840 0.051 0.000 0.799 297 L CB -1.090 41.008 42.059 0.065 0.000 0.900 297 L HN 0.128 nan 8.230 nan 0.000 0.442 298 P HA -0.124 nan 4.420 nan 0.000 0.218 298 P C 1.199 178.599 177.300 0.166 0.000 1.152 298 P CA 0.945 64.127 63.100 0.137 0.000 0.826 298 P CB -0.079 31.655 31.700 0.057 0.000 0.790 299 R N 0.513 121.031 120.500 0.029 0.000 2.080 299 R HA -0.062 4.279 4.340 0.002 0.000 0.236 299 R C 2.147 178.526 176.300 0.131 0.000 1.137 299 R CA 1.979 58.111 56.100 0.053 0.000 0.943 299 R CB -1.648 28.582 30.300 -0.116 0.000 0.846 299 R HN 0.156 nan 8.270 nan 0.000 0.431 300 M N -0.374 119.194 119.600 -0.053 0.000 2.159 300 M HA -0.132 4.349 4.480 0.002 0.000 0.263 300 M C 1.948 178.104 176.300 -0.239 0.000 1.063 300 M CA 1.108 56.201 55.300 -0.345 0.000 1.110 300 M CB -0.439 31.482 32.600 -1.131 0.000 1.374 300 M HN 0.062 nan 8.290 nan 0.000 0.411 301 L N -0.241 120.981 121.223 -0.001 0.000 2.129 301 L HA -0.143 4.198 4.340 0.002 0.000 0.212 301 L C 1.406 178.118 176.870 -0.263 0.000 1.087 301 L CA 2.035 56.887 54.840 0.021 0.000 0.757 301 L CB -0.541 41.416 42.059 -0.170 0.000 0.896 301 L HN 0.218 nan 8.230 nan 0.000 0.434 302 F N -3.850 116.134 119.950 0.056 0.000 2.688 302 F HA 0.182 4.710 4.527 0.001 0.000 0.310 302 F C 0.188 176.065 175.800 0.128 0.000 1.098 302 F CA -0.991 57.015 58.000 0.009 0.000 1.228 302 F CB -0.356 38.592 39.000 -0.086 0.000 1.042 302 F HN -0.215 nan 8.300 nan 0.000 0.557 303 Y N 2.531 122.911 120.300 0.135 0.000 2.745 303 Y HA 0.076 4.627 4.550 0.002 0.000 0.335 303 Y C 1.574 177.532 175.900 0.095 0.000 1.212 303 Y CA 0.124 58.290 58.100 0.109 0.000 1.535 303 Y CB 0.510 38.993 38.460 0.038 0.000 1.220 303 Y HN 0.188 nan 8.280 nan 0.000 0.531 304 T N -0.198 114.223 114.554 -0.221 0.000 3.058 304 T HA 0.100 4.451 4.350 0.002 0.000 0.278 304 T C 0.183 174.641 174.700 -0.403 0.000 0.974 304 T CA 0.292 62.255 62.100 -0.229 0.000 0.893 304 T CB -0.256 68.606 68.868 -0.009 0.000 1.138 304 T HN 0.587 nan 8.240 nan 0.000 0.529 305 D N 2.943 122.911 120.400 -0.721 0.000 2.740 305 D HA -0.095 4.546 4.640 0.002 0.000 0.231 305 D C -1.628 174.551 176.300 -0.202 0.000 1.194 305 D CA 0.880 54.587 54.000 -0.488 0.000 0.673 305 D CB -0.191 40.297 40.800 -0.520 0.000 0.995 305 D HN 0.359 nan 8.370 nan 0.000 0.411 306 P HA 0.014 nan 4.420 nan 0.000 0.235 306 P C 1.614 178.880 177.300 -0.057 0.000 1.177 306 P CA 0.141 63.190 63.100 -0.085 0.000 0.785 306 P CB 0.364 32.022 31.700 -0.070 0.000 0.885 307 I N 0.223 120.768 120.570 -0.041 0.000 2.522 307 I HA 0.061 4.232 4.170 0.002 0.000 0.240 307 I C 2.338 178.446 176.117 -0.015 0.000 1.078 307 I CA 1.032 62.319 61.300 -0.021 0.000 1.422 307 I CB -1.864 36.133 38.000 -0.006 0.000 1.188 307 I HN -0.122 nan 8.210 nan 0.000 0.442 308 A N 0.803 123.621 122.820 -0.004 0.000 2.131 308 A HA -0.192 4.129 4.320 0.002 0.000 0.220 308 A C 1.186 178.767 177.584 -0.006 0.000 1.158 308 A CA 0.723 52.764 52.037 0.006 0.000 0.665 308 A CB -0.875 18.141 19.000 0.028 0.000 0.795 308 A HN 0.526 nan 8.150 nan 0.000 0.460 309 K N -0.809 119.574 120.400 -0.027 0.000 3.139 309 K HA -0.202 4.119 4.320 0.002 0.000 0.261 309 K C 0.537 177.129 176.600 -0.014 0.000 0.895 309 K CA 0.269 56.536 56.287 -0.033 0.000 0.664 309 K CB -2.253 30.230 32.500 -0.029 0.000 1.388 309 K HN 0.613 nan 8.250 nan 0.000 0.472 310 G N -0.331 108.469 108.800 -0.000 0.000 2.432 310 G HA2 0.367 4.328 3.960 0.002 0.000 0.257 310 G HA3 0.367 4.328 3.960 0.002 0.000 0.257 310 G C 1.159 176.080 174.900 0.035 0.000 1.238 310 G CA -0.107 45.014 45.100 0.035 0.000 0.838 310 G HN 0.270 nan 8.290 nan 0.000 0.547 311 G N 1.067 109.891 108.800 0.039 0.000 2.679 311 G HA2 -0.139 3.822 3.960 0.002 0.000 0.212 311 G HA3 -0.139 3.822 3.960 0.002 0.000 0.212 311 G C 1.288 176.223 174.900 0.058 0.000 1.137 311 G CA 0.319 45.431 45.100 0.019 0.000 0.787 311 G HN 0.588 nan 8.290 nan 0.000 0.534 312 F N 2.444 122.395 119.950 0.002 0.000 2.039 312 F HA -0.253 4.275 4.527 0.002 0.000 0.296 312 F C 0.468 176.331 175.800 0.106 0.000 1.119 312 F CA 2.673 60.726 58.000 0.088 0.000 1.211 312 F CB -0.542 38.511 39.000 0.088 0.000 0.956 312 F HN 0.156 nan 8.300 nan 0.000 0.496 313 P HA -0.197 nan 4.420 nan 0.000 0.215 313 P C 1.211 178.577 177.300 0.112 0.000 1.153 313 P CA 1.928 65.207 63.100 0.297 0.000 0.853 313 P CB -0.149 31.585 31.700 0.057 0.000 0.788 314 Q N -0.609 119.206 119.800 0.025 0.000 2.119 314 Q HA 0.015 4.356 4.340 0.002 0.000 0.201 314 Q C 2.425 178.409 176.000 -0.027 0.000 0.972 314 Q CA 1.923 57.692 55.803 -0.056 0.000 0.847 314 Q CB -1.317 27.345 28.738 -0.126 0.000 0.903 314 Q HN 0.290 nan 8.270 nan 0.000 0.433 315 G N -2.055 106.721 108.800 -0.040 0.000 2.683 315 G HA2 -0.086 3.875 3.960 0.002 0.000 0.213 315 G HA3 -0.086 3.875 3.960 0.002 0.000 0.213 315 G C 0.638 175.289 174.900 -0.415 0.000 1.142 315 G CA -0.057 44.948 45.100 -0.158 0.000 0.793 315 G HN 0.297 nan 8.290 nan 0.000 0.534 316 W N -0.389 120.777 121.300 -0.223 0.000 3.330 316 W HA 0.186 4.847 4.660 0.002 0.000 0.243 316 W C 2.786 178.964 176.519 -0.568 0.000 0.954 316 W CA 0.662 57.719 57.345 -0.480 0.000 2.074 316 W CB 0.029 29.210 29.460 -0.464 0.000 1.096 316 W HN -0.083 nan 8.180 nan 0.000 0.643 317 T N 0.915 115.461 114.554 -0.013 0.000 2.614 317 T HA -0.202 4.149 4.350 0.002 0.000 0.263 317 T C 1.698 176.224 174.700 -0.290 0.000 1.055 317 T CA 2.052 64.000 62.100 -0.254 0.000 1.162 317 T CB -0.793 67.963 68.868 -0.187 0.000 0.863 317 T HN -0.185 nan 8.240 nan 0.000 0.414 318 V N 1.609 121.444 119.914 -0.132 0.000 2.392 318 V HA -0.169 3.952 4.120 0.002 0.000 0.249 318 V C 1.928 177.986 176.094 -0.060 0.000 1.059 318 V CA 1.955 64.207 62.300 -0.081 0.000 1.051 318 V CB -0.898 30.879 31.823 -0.077 0.000 0.658 318 V HN 0.546 nan 8.190 nan 0.000 0.455 319 F N -0.152 119.712 119.950 -0.144 0.000 2.051 319 F HA -0.236 4.292 4.527 0.002 0.000 0.296 319 F C 2.402 178.281 175.800 0.131 0.000 1.122 319 F CA 1.861 59.810 58.000 -0.086 0.000 1.201 319 F CB -0.385 38.504 39.000 -0.186 0.000 0.978 319 F HN 0.113 nan 8.300 nan 0.000 0.472 320 Y N -0.222 119.864 120.300 -0.357 0.000 2.089 320 Y HA -0.339 4.212 4.550 0.002 0.000 0.282 320 Y C 2.649 178.814 175.900 0.442 0.000 1.139 320 Y CA 1.226 59.209 58.100 -0.195 0.000 1.123 320 Y CB -0.951 37.309 38.460 -0.334 0.000 0.980 320 Y HN 0.202 nan 8.280 nan 0.000 0.493 321 W N -0.118 121.304 121.300 0.203 0.000 2.277 321 W HA -0.414 4.247 4.660 0.001 0.000 0.327 321 W C 2.663 179.343 176.519 0.267 0.000 1.284 321 W CA 0.581 58.041 57.345 0.191 0.000 1.277 321 W CB -0.451 29.116 29.460 0.179 0.000 1.141 321 W HN 0.131 nan 8.180 nan 0.000 0.482 322 A N -0.681 122.307 122.820 0.280 0.000 1.933 322 A HA -0.243 4.078 4.320 0.002 0.000 0.218 322 A C 1.551 179.352 177.584 0.363 0.000 1.175 322 A CA 1.381 53.489 52.037 0.117 0.000 0.628 322 A CB -1.338 17.423 19.000 -0.400 0.000 0.814 322 A HN 0.486 nan 8.150 nan 0.000 0.444 323 W N -0.401 121.036 121.300 0.229 0.000 2.355 323 W HA -0.161 4.500 4.660 0.002 0.000 0.309 323 W C 1.831 178.508 176.519 0.263 0.000 1.206 323 W CA 1.038 58.518 57.345 0.226 0.000 1.284 323 W CB -1.107 28.475 29.460 0.204 0.000 1.145 323 W HN 0.523 nan 8.180 nan 0.000 0.502 324 W N -0.043 121.495 121.300 0.396 0.000 2.342 324 W HA -0.209 4.452 4.660 0.002 0.000 0.297 324 W C 2.406 179.129 176.519 0.340 0.000 1.213 324 W CA 2.114 59.620 57.345 0.268 0.000 1.251 324 W CB -1.021 28.436 29.460 -0.003 0.000 1.136 324 W HN -0.376 nan 8.180 nan 0.000 0.526 325 V N 0.002 120.198 119.914 0.471 0.000 2.515 325 V HA -0.261 3.860 4.120 0.002 0.000 0.250 325 V C 1.846 178.069 176.094 0.215 0.000 1.058 325 V CA 1.327 63.787 62.300 0.267 0.000 1.064 325 V CB -0.723 31.160 31.823 0.101 0.000 0.675 325 V HN 0.148 nan 8.190 nan 0.000 0.461 326 I N -0.917 119.778 120.570 0.208 0.000 2.130 326 I HA -0.212 3.959 4.170 0.002 0.000 0.234 326 I C 2.283 178.415 176.117 0.025 0.000 1.067 326 I CA 1.788 63.105 61.300 0.028 0.000 1.339 326 I CB -0.434 37.532 38.000 -0.055 0.000 1.073 326 I HN 0.197 nan 8.210 nan 0.000 0.405 327 Y N 1.148 121.556 120.300 0.180 0.000 2.639 327 Y HA -0.237 4.314 4.550 0.002 0.000 0.289 327 Y C 2.429 178.365 175.900 0.060 0.000 1.155 327 Y CA 0.393 58.562 58.100 0.115 0.000 1.379 327 Y CB -0.656 37.843 38.460 0.065 0.000 0.967 327 Y HN 0.227 nan 8.280 nan 0.000 0.569 328 A N 0.785 123.727 122.820 0.203 0.000 1.859 328 A HA -0.238 4.083 4.320 0.002 0.000 0.217 328 A C 2.206 179.664 177.584 -0.209 0.000 1.198 328 A CA 2.077 54.012 52.037 -0.171 0.000 0.629 328 A CB -0.865 18.228 19.000 0.154 0.000 0.830 328 A HN 0.507 nan 8.150 nan 0.000 0.446 329 I N -0.790 119.824 120.570 0.073 0.000 2.252 329 I HA -0.224 3.947 4.170 0.002 0.000 0.245 329 I C 2.622 178.732 176.117 -0.011 0.000 1.102 329 I CA 1.103 62.470 61.300 0.112 0.000 1.385 329 I CB -0.546 37.659 38.000 0.343 0.000 1.064 329 I HN 0.368 nan 8.210 nan 0.000 0.414 330 Q N -0.061 119.801 119.800 0.104 0.000 2.181 330 Q HA -0.245 4.096 4.340 0.002 0.000 0.205 330 Q C 2.066 178.093 176.000 0.045 0.000 0.980 330 Q CA 1.802 57.659 55.803 0.090 0.000 0.862 330 Q CB -0.434 28.418 28.738 0.190 0.000 0.905 330 Q HN 0.510 nan 8.270 nan 0.000 0.429 331 M N 0.018 119.629 119.600 0.018 0.000 2.115 331 M HA -0.085 4.396 4.480 0.002 0.000 0.261 331 M C 2.127 178.487 176.300 0.100 0.000 1.079 331 M CA 1.279 56.606 55.300 0.044 0.000 1.143 331 M CB -0.057 32.601 32.600 0.096 0.000 1.332 331 M HN 0.003 nan 8.290 nan 0.000 0.421 332 S N 0.744 116.435 115.700 -0.016 0.000 2.400 332 S HA -0.222 4.249 4.470 0.002 0.000 0.234 332 S C 1.817 176.479 174.600 0.103 0.000 1.049 332 S CA 1.848 60.098 58.200 0.084 0.000 1.039 332 S CB -0.846 62.426 63.200 0.119 0.000 0.856 332 S HN 0.506 nan 8.310 nan 0.000 0.465 333 I N 0.094 120.592 120.570 -0.121 0.000 2.226 333 I HA -0.198 3.974 4.170 0.002 0.000 0.245 333 I C 2.140 178.382 176.117 0.208 0.000 1.100 333 I CA 1.360 62.600 61.300 -0.100 0.000 1.374 333 I CB -0.233 37.575 38.000 -0.322 0.000 1.057 333 I HN 0.276 nan 8.210 nan 0.000 0.413 334 F N 1.180 121.151 119.950 0.035 0.000 2.128 334 F HA -0.123 4.405 4.527 0.002 0.000 0.295 334 F C 2.159 178.012 175.800 0.089 0.000 1.100 334 F CA 1.450 59.482 58.000 0.054 0.000 1.260 334 F CB -0.326 38.683 39.000 0.015 0.000 1.009 334 F HN -0.142 nan 8.300 nan 0.000 0.476 335 L N 0.256 121.777 121.223 0.497 0.000 2.042 335 L HA -0.242 4.099 4.340 0.002 0.000 0.210 335 L C 2.825 179.851 176.870 0.260 0.000 1.076 335 L CA 1.313 56.357 54.840 0.340 0.000 0.749 335 L CB -1.349 40.887 42.059 0.296 0.000 0.893 335 L HN 0.317 nan 8.230 nan 0.000 0.432 336 A N 0.231 123.222 122.820 0.286 0.000 1.883 336 A HA -0.233 4.088 4.320 0.002 0.000 0.217 336 A C 2.380 180.197 177.584 0.388 0.000 1.186 336 A CA 1.711 53.961 52.037 0.355 0.000 0.624 336 A CB -0.456 18.800 19.000 0.427 0.000 0.822 336 A HN 0.369 nan 8.150 nan 0.000 0.444 337 R N -1.029 119.609 120.500 0.230 0.000 2.062 337 R HA -0.047 4.295 4.340 0.002 0.000 0.229 337 R C 2.272 178.677 176.300 0.176 0.000 1.128 337 R CA 1.437 57.647 56.100 0.183 0.000 0.960 337 R CB -0.941 29.336 30.300 -0.037 0.000 0.855 337 R HN 0.515 nan 8.270 nan 0.000 0.432 338 I N 0.311 120.868 120.570 -0.022 0.000 3.010 338 I HA -0.067 4.104 4.170 0.002 0.000 0.271 338 I C 1.509 177.833 176.117 0.344 0.000 1.293 338 I CA 1.726 63.022 61.300 -0.006 0.000 1.452 338 I CB -0.598 37.177 38.000 -0.375 0.000 1.082 338 I HN 0.054 nan 8.210 nan 0.000 0.484 339 S N -0.886 115.052 115.700 0.397 0.000 2.754 339 S HA 0.303 4.774 4.470 0.002 0.000 0.247 339 S C 0.790 175.525 174.600 0.225 0.000 1.031 339 S CA -0.570 57.887 58.200 0.428 0.000 1.014 339 S CB -0.255 63.298 63.200 0.587 0.000 0.918 339 S HN 0.768 nan 8.310 nan 0.000 0.519 340 R N 1.321 121.897 120.500 0.126 0.000 2.679 340 R HA 0.294 4.635 4.340 0.002 0.000 0.268 340 R C 1.048 177.230 176.300 -0.197 0.000 1.044 340 R CA 1.413 57.374 56.100 -0.232 0.000 1.105 340 R CB -0.049 29.681 30.300 -0.950 0.000 0.989 340 R HN 0.382 nan 8.270 nan 0.000 0.447 341 G N 2.971 111.670 108.800 -0.168 0.000 2.176 341 G HA2 -0.284 3.677 3.960 0.002 0.000 0.252 341 G HA3 -0.284 3.677 3.960 0.002 0.000 0.252 341 G C -0.158 174.690 174.900 -0.086 0.000 1.024 341 G CA 0.297 45.327 45.100 -0.117 0.000 0.755 341 G HN 0.597 nan 8.290 nan 0.000 0.507 342 R N -0.847 119.630 120.500 -0.038 0.000 2.856 342 R HA 0.704 5.045 4.340 0.002 0.000 0.258 342 R C 0.193 176.505 176.300 0.020 0.000 1.066 342 R CA -0.144 55.912 56.100 -0.072 0.000 1.045 342 R CB 1.015 31.215 30.300 -0.165 0.000 1.178 342 R HN 0.232 nan 8.270 nan 0.000 0.499 343 T N -0.547 114.003 114.554 -0.007 0.000 2.889 343 T HA 0.087 4.438 4.350 0.002 0.000 0.291 343 T C 1.659 176.365 174.700 0.010 0.000 0.995 343 T CA -0.571 61.533 62.100 0.008 0.000 1.092 343 T CB 1.020 69.868 68.868 -0.033 0.000 0.954 343 T HN 0.280 nan 8.240 nan 0.000 0.506 344 V N 5.160 125.083 119.914 0.014 0.000 2.236 344 V HA -0.243 3.878 4.120 0.002 0.000 0.255 344 V C 2.850 178.859 176.094 -0.143 0.000 1.068 344 V CA 2.766 65.056 62.300 -0.016 0.000 1.044 344 V CB -0.808 30.987 31.823 -0.047 0.000 0.653 344 V HN 0.955 nan 8.190 nan 0.000 0.448 345 R N -0.450 119.910 120.500 -0.233 0.000 2.096 345 R HA -0.209 4.132 4.340 0.002 0.000 0.235 345 R C 2.333 178.467 176.300 -0.278 0.000 1.127 345 R CA 1.947 57.793 56.100 -0.423 0.000 0.968 345 R CB -0.319 29.751 30.300 -0.382 0.000 0.861 345 R HN 0.668 nan 8.270 nan 0.000 0.440 346 E N 0.190 120.349 120.200 -0.069 0.000 2.130 346 E HA -0.233 4.119 4.350 0.002 0.000 0.196 346 E C 1.871 178.582 176.600 0.186 0.000 0.998 346 E CA 1.356 57.795 56.400 0.065 0.000 0.806 346 E CB -0.002 29.701 29.700 0.005 0.000 0.738 346 E HN 0.251 nan 8.360 nan 0.000 0.459 347 L N 0.102 121.409 121.223 0.140 0.000 2.068 347 L HA -0.100 4.241 4.340 0.002 0.000 0.204 347 L C 2.293 179.269 176.870 0.177 0.000 1.076 347 L CA 1.386 56.401 54.840 0.291 0.000 0.753 347 L CB -0.649 41.556 42.059 0.243 0.000 0.910 347 L HN 0.205 nan 8.230 nan 0.000 0.439 348 C N -0.197 119.071 119.300 -0.054 0.000 2.388 348 C HA -0.216 4.245 4.460 0.002 0.000 0.277 348 C C 2.556 177.669 174.990 0.205 0.000 1.210 348 C CA 0.965 59.912 59.018 -0.118 0.000 1.743 348 C CB -1.462 25.752 27.740 -0.877 0.000 2.047 348 C HN 0.563 nan 8.230 nan 0.000 0.458 349 F N 1.524 121.548 119.950 0.123 0.000 2.216 349 F HA 0.018 4.547 4.527 0.003 0.000 0.300 349 F C 2.429 178.322 175.800 0.157 0.000 1.085 349 F CA 1.362 59.475 58.000 0.190 0.000 1.326 349 F CB -1.596 37.474 39.000 0.117 0.000 1.027 349 F HN 0.314 nan 8.300 nan 0.000 0.497 350 G N 0.170 109.177 108.800 0.346 0.000 2.408 350 G HA2 -0.135 3.826 3.960 0.002 0.000 0.213 350 G HA3 -0.135 3.826 3.960 0.002 0.000 0.213 350 G C 1.647 176.495 174.900 -0.087 0.000 1.177 350 G CA 0.747 45.964 45.100 0.194 0.000 0.802 350 G HN 0.374 nan 8.290 nan 0.000 0.533 351 M N 0.197 119.766 119.600 -0.051 0.000 2.086 351 M HA 0.044 4.525 4.480 0.002 0.000 0.261 351 M C 2.343 178.529 176.300 -0.190 0.000 1.067 351 M CA 1.451 56.650 55.300 -0.168 0.000 1.116 351 M CB -0.829 31.765 32.600 -0.010 0.000 1.348 351 M HN -0.032 nan 8.290 nan 0.000 0.407 352 V N 1.504 121.420 119.914 0.002 0.000 2.223 352 V HA -0.252 3.869 4.120 0.002 0.000 0.244 352 V C 2.647 178.664 176.094 -0.129 0.000 1.045 352 V CA 2.055 64.339 62.300 -0.027 0.000 1.000 352 V CB -0.932 30.946 31.823 0.091 0.000 0.635 352 V HN 0.503 nan 8.190 nan 0.000 0.445 353 L N 0.306 121.497 121.223 -0.054 0.000 2.034 353 L HA -0.247 4.094 4.340 0.002 0.000 0.217 353 L C 2.488 179.269 176.870 -0.148 0.000 1.077 353 L CA 2.239 57.023 54.840 -0.094 0.000 0.769 353 L CB -1.099 40.946 42.059 -0.024 0.000 0.890 353 L HN 0.498 nan 8.230 nan 0.000 0.435 354 G N -0.624 108.063 108.800 -0.187 0.000 2.556 354 G HA2 -0.202 3.759 3.960 0.002 0.000 0.215 354 G HA3 -0.202 3.759 3.960 0.002 0.000 0.215 354 G C 1.470 176.246 174.900 -0.205 0.000 1.258 354 G CA 0.853 45.831 45.100 -0.204 0.000 0.811 354 G HN 0.266 nan 8.290 nan 0.000 0.557 355 L N 0.613 121.554 121.223 -0.471 0.000 1.978 355 L HA -0.180 4.161 4.340 0.002 0.000 0.218 355 L C 3.215 179.864 176.870 -0.368 0.000 1.075 355 L CA 2.088 56.477 54.840 -0.752 0.000 0.767 355 L CB -1.305 39.607 42.059 -1.911 0.000 0.890 355 L HN 0.218 nan 8.230 nan 0.000 0.434 356 T N -0.169 114.205 114.554 -0.299 0.000 2.737 356 T HA -0.257 4.094 4.350 0.002 0.000 0.269 356 T C 2.018 176.676 174.700 -0.069 0.000 1.040 356 T CA 1.305 63.352 62.100 -0.088 0.000 1.142 356 T CB -0.496 68.139 68.868 -0.389 0.000 0.861 356 T HN 0.486 nan 8.240 nan 0.000 0.456 357 A N 1.433 124.241 122.820 -0.021 0.000 1.873 357 A HA -0.163 4.159 4.320 0.002 0.000 0.218 357 A C 2.594 180.374 177.584 0.326 0.000 1.193 357 A CA 2.379 54.513 52.037 0.163 0.000 0.629 357 A CB -1.332 17.770 19.000 0.169 0.000 0.826 357 A HN 0.482 nan 8.150 nan 0.000 0.447 358 S N -0.666 115.154 115.700 0.200 0.000 2.354 358 S HA -0.222 4.249 4.470 0.002 0.000 0.219 358 S C 2.308 176.942 174.600 0.057 0.000 1.035 358 S CA 3.117 61.138 58.200 -0.299 0.000 1.037 358 S CB -1.063 61.805 63.200 -0.554 0.000 0.956 358 S HN 0.865 nan 8.310 nan 0.000 0.428 359 T N -1.574 113.134 114.554 0.256 0.000 2.652 359 T HA -0.155 4.197 4.350 0.002 0.000 0.267 359 T C 1.631 176.688 174.700 0.595 0.000 1.039 359 T CA 1.509 63.893 62.100 0.474 0.000 1.153 359 T CB -0.997 68.206 68.868 0.560 0.000 0.863 359 T HN 0.544 nan 8.240 nan 0.000 0.428 360 W N 1.550 123.028 121.300 0.296 0.000 2.342 360 W HA 0.200 4.861 4.660 0.001 0.000 0.297 360 W C 2.304 178.995 176.519 0.285 0.000 1.213 360 W CA -0.607 56.923 57.345 0.308 0.000 1.251 360 W CB -0.970 28.676 29.460 0.311 0.000 1.136 360 W HN 0.306 nan 8.180 nan 0.000 0.526 361 I N -0.819 120.007 120.570 0.427 0.000 2.142 361 I HA -0.331 3.840 4.170 0.002 0.000 0.240 361 I C 2.496 178.780 176.117 0.279 0.000 1.078 361 I CA 1.006 62.467 61.300 0.268 0.000 1.343 361 I CB -0.902 37.214 38.000 0.193 0.000 1.046 361 I HN -0.114 nan 8.210 nan 0.000 0.405 362 L N 0.461 121.852 121.223 0.281 0.000 1.934 362 L HA -0.316 4.025 4.340 0.002 0.000 0.227 362 L C 2.500 179.519 176.870 0.247 0.000 1.084 362 L CA 1.978 56.941 54.840 0.204 0.000 0.790 362 L CB -0.560 41.597 42.059 0.163 0.000 0.896 362 L HN 0.390 nan 8.230 nan 0.000 0.437 363 W N 0.016 121.379 121.300 0.106 0.000 2.336 363 W HA -0.236 4.425 4.660 0.002 0.000 0.277 363 W C 2.474 179.104 176.519 0.186 0.000 1.211 363 W CA 1.743 59.162 57.345 0.123 0.000 1.187 363 W CB -0.707 28.816 29.460 0.106 0.000 1.132 363 W HN 0.549 nan 8.180 nan 0.000 0.562 364 T N -4.531 110.275 114.554 0.420 0.000 3.051 364 T HA 0.011 4.363 4.350 0.002 0.000 0.255 364 T C 1.674 176.570 174.700 0.327 0.000 1.085 364 T CA 0.596 62.907 62.100 0.351 0.000 1.109 364 T CB -0.357 68.716 68.868 0.342 0.000 0.921 364 T HN -0.136 nan 8.240 nan 0.000 0.488 365 V N 1.468 121.559 119.914 0.295 0.000 2.331 365 V HA 0.127 4.248 4.120 0.002 0.000 0.242 365 V C 2.689 178.921 176.094 0.229 0.000 1.034 365 V CA 1.113 63.578 62.300 0.276 0.000 1.027 365 V CB -0.538 31.446 31.823 0.268 0.000 0.667 365 V HN 0.405 nan 8.190 nan 0.000 0.457 366 L N 0.346 121.683 121.223 0.190 0.000 2.093 366 L HA -0.059 4.282 4.340 0.002 0.000 0.208 366 L C 2.584 179.553 176.870 0.166 0.000 1.085 366 L CA 1.726 56.663 54.840 0.161 0.000 0.755 366 L CB -1.137 40.978 42.059 0.093 0.000 0.904 366 L HN 0.499 nan 8.230 nan 0.000 0.435 367 G N -0.059 108.868 108.800 0.211 0.000 2.402 367 G HA2 -0.245 3.716 3.960 0.002 0.000 0.216 367 G HA3 -0.245 3.716 3.960 0.002 0.000 0.216 367 G C 1.771 176.841 174.900 0.284 0.000 1.162 367 G CA 0.924 46.181 45.100 0.262 0.000 0.777 367 G HN 0.502 nan 8.290 nan 0.000 0.539 368 S N 0.904 116.803 115.700 0.332 0.000 2.453 368 S HA -0.097 4.374 4.470 0.002 0.000 0.231 368 S C 1.922 176.644 174.600 0.203 0.000 1.005 368 S CA 1.253 59.659 58.200 0.343 0.000 0.949 368 S CB -0.327 63.179 63.200 0.511 0.000 0.774 368 S HN 0.468 nan 8.310 nan 0.000 0.510 369 N N 2.837 121.631 118.700 0.156 0.000 2.022 369 N HA -0.186 4.556 4.740 0.002 0.000 0.194 369 N C 1.887 177.424 175.510 0.045 0.000 1.057 369 N CA 3.034 56.131 53.050 0.078 0.000 0.849 369 N CB -1.259 37.285 38.487 0.095 0.000 1.044 369 N HN 0.500 nan 8.380 nan 0.000 0.424 370 T N -1.486 113.104 114.554 0.061 0.000 2.996 370 T HA -0.124 4.227 4.350 0.002 0.000 0.271 370 T C 1.756 176.475 174.700 0.031 0.000 1.126 370 T CA 1.134 63.244 62.100 0.017 0.000 1.103 370 T CB -0.422 68.442 68.868 -0.006 0.000 0.870 370 T HN 0.263 nan 8.240 nan 0.000 0.528 371 L N 0.126 121.387 121.223 0.063 0.000 2.127 371 L HA 0.377 4.718 4.340 0.002 0.000 0.203 371 L C 2.278 179.121 176.870 -0.045 0.000 1.080 371 L CA 1.248 56.111 54.840 0.038 0.000 0.768 371 L CB -0.709 41.384 42.059 0.057 0.000 0.924 371 L HN 0.281 nan 8.230 nan 0.000 0.444 372 L N -0.852 120.320 121.223 -0.085 0.000 2.042 372 L HA -0.243 4.098 4.340 0.002 0.000 0.210 372 L C 2.584 179.385 176.870 -0.114 0.000 1.076 372 L CA 1.332 56.071 54.840 -0.168 0.000 0.749 372 L CB -0.665 41.274 42.059 -0.201 0.000 0.893 372 L HN 0.298 nan 8.230 nan 0.000 0.432 373 L N -0.383 120.794 121.223 -0.076 0.000 2.081 373 L HA -0.286 4.055 4.340 0.002 0.000 0.212 373 L C 2.520 179.354 176.870 -0.059 0.000 1.080 373 L CA 1.479 56.278 54.840 -0.068 0.000 0.754 373 L CB -0.501 41.517 42.059 -0.068 0.000 0.893 373 L HN 0.319 nan 8.230 nan 0.000 0.433 374 I N -0.248 120.296 120.570 -0.043 0.000 2.252 374 I HA -0.251 3.920 4.170 0.002 0.000 0.245 374 I C 1.378 177.477 176.117 -0.031 0.000 1.102 374 I CA 1.348 62.638 61.300 -0.018 0.000 1.385 374 I CB -0.407 37.611 38.000 0.029 0.000 1.064 374 I HN 0.221 nan 8.210 nan 0.000 0.414 375 D N 0.662 121.026 120.400 -0.059 0.000 2.336 375 D HA -0.028 4.613 4.640 0.002 0.000 0.229 375 D C 1.689 177.944 176.300 -0.075 0.000 1.061 375 D CA 0.581 54.539 54.000 -0.070 0.000 0.875 375 D CB 0.136 40.873 40.800 -0.106 0.000 0.904 375 D HN 0.274 nan 8.370 nan 0.000 0.525 376 K N -0.447 119.911 120.400 -0.071 0.000 2.354 376 K HA 0.113 4.434 4.320 0.002 0.000 0.194 376 K C 0.197 176.770 176.600 -0.045 0.000 1.045 376 K CA -0.080 56.168 56.287 -0.064 0.000 1.026 376 K CB 0.437 32.895 32.500 -0.071 0.000 0.866 376 K HN -0.124 nan 8.250 nan 0.000 0.530 377 N N 0.921 119.597 118.700 -0.040 0.000 2.693 377 N HA -0.219 4.522 4.740 0.002 0.000 0.249 377 N C 0.603 176.094 175.510 -0.032 0.000 1.119 377 N CA 0.395 53.427 53.050 -0.030 0.000 0.717 377 N CB -1.219 37.255 38.487 -0.022 0.000 1.071 377 N HN 0.220 nan 8.380 nan 0.000 0.555 378 I N -0.686 119.861 120.570 -0.039 0.000 2.113 378 I HA -0.251 3.920 4.170 0.002 0.000 0.242 378 I C 1.208 177.302 176.117 -0.037 0.000 1.064 378 I CA 1.506 62.785 61.300 -0.036 0.000 1.320 378 I CB -0.288 37.687 38.000 -0.041 0.000 1.028 378 I HN 0.276 nan 8.210 nan 0.000 0.406 379 L N -2.247 118.945 121.223 -0.052 0.000 2.354 379 L HA 0.549 4.890 4.340 0.002 0.000 0.264 379 L C -0.326 176.506 176.870 -0.064 0.000 1.008 379 L CA -0.826 53.977 54.840 -0.062 0.000 0.819 379 L CB 1.620 43.625 42.059 -0.090 0.000 1.339 379 L HN -0.102 nan 8.230 nan 0.000 0.420 380 N N 2.213 120.879 118.700 -0.056 0.000 2.767 380 N HA 0.301 5.042 4.740 0.002 0.000 0.238 380 N C 0.803 176.259 175.510 -0.090 0.000 1.083 380 N CA -0.173 52.849 53.050 -0.048 0.000 0.964 380 N CB 0.627 39.102 38.487 -0.019 0.000 1.252 380 N HN 0.858 nan 8.380 nan 0.000 0.512 381 I N 2.943 123.420 120.570 -0.155 0.000 2.208 381 I HA -0.191 3.980 4.170 0.002 0.000 0.245 381 I C -0.753 175.181 176.117 -0.305 0.000 1.097 381 I CA 1.104 62.211 61.300 -0.322 0.000 1.363 381 I CB -0.910 36.740 38.000 -0.582 0.000 1.051 381 I HN 0.368 nan 8.210 nan 0.000 0.413 382 P HA -0.124 nan 4.420 nan 0.000 0.217 382 P C 1.326 178.622 177.300 -0.007 0.000 1.151 382 P CA 1.327 64.425 63.100 -0.003 0.000 0.828 382 P CB -0.138 31.623 31.700 0.102 0.000 0.788 383 N N -0.650 118.044 118.700 -0.010 0.000 2.354 383 N HA -0.020 4.721 4.740 0.002 0.000 0.179 383 N C 1.649 177.178 175.510 0.032 0.000 1.021 383 N CA 0.633 53.687 53.050 0.006 0.000 0.887 383 N CB -0.423 38.072 38.487 0.012 0.000 0.974 383 N HN 0.104 nan 8.380 nan 0.000 0.437 384 L N 0.529 121.769 121.223 0.028 0.000 2.027 384 L HA -0.045 4.296 4.340 0.002 0.000 0.206 384 L C 2.258 179.184 176.870 0.093 0.000 1.074 384 L CA 0.792 55.696 54.840 0.107 0.000 0.745 384 L CB -0.248 41.785 42.059 -0.043 0.000 0.898 384 L HN 0.102 nan 8.230 nan 0.000 0.433 385 I N 0.009 120.561 120.570 -0.030 0.000 2.226 385 I HA -0.283 3.888 4.170 0.002 0.000 0.245 385 I C 3.092 179.217 176.117 0.014 0.000 1.100 385 I CA 1.533 62.824 61.300 -0.015 0.000 1.374 385 I CB -0.860 37.117 38.000 -0.037 0.000 1.057 385 I HN 0.351 nan 8.210 nan 0.000 0.413 386 E N 0.774 120.973 120.200 -0.001 0.000 2.058 386 E HA -0.319 4.032 4.350 0.002 0.000 0.194 386 E C 2.086 178.630 176.600 -0.093 0.000 0.997 386 E CA 1.819 58.203 56.400 -0.026 0.000 0.801 386 E CB -0.752 28.934 29.700 -0.024 0.000 0.746 386 E HN 0.681 nan 8.360 nan 0.000 0.450 387 Q N -2.448 117.243 119.800 -0.181 0.000 2.402 387 Q HA 0.063 4.404 4.340 0.002 0.000 0.206 387 Q C 1.043 176.660 176.000 -0.638 0.000 0.919 387 Q CA 0.748 56.277 55.803 -0.457 0.000 0.923 387 Q CB 0.202 28.530 28.738 -0.683 0.000 1.048 387 Q HN 0.729 nan 8.270 nan 0.000 0.515 388 Y N -1.852 118.423 120.300 -0.042 0.000 2.441 388 Y HA 0.402 4.953 4.550 0.002 0.000 0.266 388 Y C 0.621 176.487 175.900 -0.057 0.000 1.093 388 Y CA 0.181 58.250 58.100 -0.051 0.000 1.246 388 Y CB 1.507 39.922 38.460 -0.076 0.000 1.262 388 Y HN 0.063 nan 8.280 nan 0.000 0.518 389 G N 0.067 108.915 108.800 0.080 0.000 2.650 389 G HA2 -0.131 3.830 3.960 0.002 0.000 0.686 389 G HA3 -0.131 3.830 3.960 0.002 0.000 0.686 389 G C 0.323 175.232 174.900 0.015 0.000 1.205 389 G CA -0.551 44.576 45.100 0.046 0.000 0.781 389 G HN -0.021 nan 8.290 nan 0.000 0.648 390 V N 1.638 121.580 119.914 0.046 0.000 2.231 390 V HA -0.204 3.917 4.120 0.002 0.000 0.250 390 V C 3.550 179.576 176.094 -0.112 0.000 1.058 390 V CA 3.762 66.068 62.300 0.009 0.000 1.022 390 V CB -1.471 30.443 31.823 0.151 0.000 0.640 390 V HN 2.113 nan 8.190 nan 0.000 0.445 391 A N -0.368 122.435 122.820 -0.028 0.000 1.958 391 A HA -0.325 3.997 4.320 0.002 0.000 0.221 391 A C 2.351 179.765 177.584 -0.283 0.000 1.178 391 A CA 2.262 54.227 52.037 -0.119 0.000 0.642 391 A CB -0.645 18.343 19.000 -0.020 0.000 0.816 391 A HN 0.392 nan 8.150 nan 0.000 0.453 392 R N -0.240 120.113 120.500 -0.245 0.000 2.083 392 R HA -0.132 4.209 4.340 0.002 0.000 0.237 392 R C 2.407 178.516 176.300 -0.318 0.000 1.137 392 R CA 1.820 57.757 56.100 -0.272 0.000 0.951 392 R CB -1.169 29.015 30.300 -0.192 0.000 0.851 392 R HN 0.512 nan 8.270 nan 0.000 0.434 393 A N 1.097 123.738 122.820 -0.298 0.000 1.845 393 A HA -0.144 4.177 4.320 0.002 0.000 0.215 393 A C 2.433 179.725 177.584 -0.486 0.000 1.195 393 A CA 1.579 53.405 52.037 -0.352 0.000 0.616 393 A CB -0.711 18.076 19.000 -0.355 0.000 0.832 393 A HN 0.324 nan 8.150 nan 0.000 0.443 394 I N 0.302 120.525 120.570 -0.579 0.000 2.143 394 I HA -0.331 3.840 4.170 0.002 0.000 0.245 394 I C 2.183 177.540 176.117 -1.267 0.000 1.068 394 I CA 1.516 62.301 61.300 -0.859 0.000 1.326 394 I CB -0.423 37.051 38.000 -0.876 0.000 1.028 394 I HN 0.329 nan 8.210 nan 0.000 0.412 395 I N 0.079 120.039 120.570 -1.018 0.000 2.394 395 I HA -0.188 3.983 4.170 0.002 0.000 0.251 395 I C 2.410 178.136 176.117 -0.651 0.000 1.136 395 I CA 1.299 62.049 61.300 -0.917 0.000 1.425 395 I CB -1.232 36.450 38.000 -0.529 0.000 1.079 395 I HN 0.306 nan 8.210 nan 0.000 0.425 396 E N 0.743 120.645 120.200 -0.497 0.000 2.204 396 E HA -0.165 4.186 4.350 0.002 0.000 0.194 396 E C 2.207 178.625 176.600 -0.304 0.000 0.989 396 E CA 1.728 57.931 56.400 -0.328 0.000 0.824 396 E CB -0.206 29.344 29.700 -0.249 0.000 0.756 396 E HN 0.595 nan 8.360 nan 0.000 0.477 397 T N -2.526 111.787 114.554 -0.403 0.000 3.043 397 T HA -0.059 4.292 4.350 0.002 0.000 0.263 397 T C 1.456 176.087 174.700 -0.116 0.000 1.094 397 T CA 0.134 62.075 62.100 -0.267 0.000 1.127 397 T CB -0.183 68.516 68.868 -0.281 0.000 0.905 397 T HN 0.066 nan 8.240 nan 0.000 0.490 398 W N 1.628 122.690 121.300 -0.395 0.000 2.453 398 W HA 0.534 5.195 4.660 0.002 0.000 0.289 398 W C 2.770 179.083 176.519 -0.344 0.000 1.215 398 W CA -0.074 56.985 57.345 -0.477 0.000 1.297 398 W CB -1.146 27.775 29.460 -0.897 0.000 1.113 398 W HN 0.436 nan 8.180 nan 0.000 0.551 399 A N 0.049 122.737 122.820 -0.219 0.000 2.123 399 A HA 0.317 4.638 4.320 0.002 0.000 0.214 399 A C 2.065 179.591 177.584 -0.096 0.000 1.152 399 A CA 1.170 52.996 52.037 -0.352 0.000 0.728 399 A CB -0.708 17.841 19.000 -0.751 0.000 0.814 399 A HN 0.040 nan 8.150 nan 0.000 0.464 400 A N -0.410 122.371 122.820 -0.065 0.000 2.216 400 A HA 0.293 4.614 4.320 0.002 0.000 0.214 400 A C 0.978 178.576 177.584 0.023 0.000 1.160 400 A CA 0.156 52.186 52.037 -0.012 0.000 0.725 400 A CB -0.447 18.528 19.000 -0.042 0.000 0.784 400 A HN 0.463 nan 8.150 nan 0.000 0.472 401 L N 0.126 121.379 121.223 0.050 0.000 2.453 401 L HA 0.241 4.583 4.340 0.002 0.000 0.261 401 L C -2.168 174.798 176.870 0.159 0.000 1.179 401 L CA -2.094 52.804 54.840 0.098 0.000 0.813 401 L CB 0.322 42.486 42.059 0.175 0.000 1.110 401 L HN 0.018 nan 8.230 nan 0.000 0.466 402 P HA 0.057 nan 4.420 nan 0.000 0.268 402 P C -0.258 177.276 177.300 0.390 0.000 1.205 402 P CA -0.108 63.139 63.100 0.246 0.000 0.771 402 P CB 0.334 32.160 31.700 0.210 0.000 0.858 403 L N 0.356 121.747 121.223 0.281 0.000 3.608 403 L HA -0.275 4.066 4.340 0.002 0.000 0.422 403 L C 1.458 178.466 176.870 0.230 0.000 1.260 403 L CA 0.549 55.529 54.840 0.233 0.000 0.889 403 L CB -2.597 39.577 42.059 0.191 0.000 1.821 403 L HN 0.474 nan 8.230 nan 0.000 0.884 404 S N -1.192 114.646 115.700 0.230 0.000 2.372 404 S HA -0.295 4.176 4.470 0.002 0.000 0.227 404 S C 1.921 176.624 174.600 0.173 0.000 1.044 404 S CA 2.242 60.552 58.200 0.183 0.000 1.050 404 S CB -0.592 62.743 63.200 0.225 0.000 0.901 404 S HN 0.759 nan 8.310 nan 0.000 0.447 405 T N 1.277 116.032 114.554 0.335 0.000 2.708 405 T HA 0.011 4.362 4.350 0.002 0.000 0.266 405 T C 1.999 176.929 174.700 0.385 0.000 1.037 405 T CA 1.352 63.710 62.100 0.430 0.000 1.146 405 T CB -0.950 68.154 68.868 0.394 0.000 0.865 405 T HN 0.525 nan 8.240 nan 0.000 0.435 406 A N 1.805 124.809 122.820 0.308 0.000 1.858 406 A HA -0.031 4.290 4.320 0.002 0.000 0.216 406 A C 2.702 180.419 177.584 0.221 0.000 1.190 406 A CA 2.317 54.518 52.037 0.274 0.000 0.617 406 A CB -1.646 17.404 19.000 0.082 0.000 0.827 406 A HN 0.566 nan 8.150 nan 0.000 0.443 407 T N 0.293 114.931 114.554 0.141 0.000 2.680 407 T HA -0.222 4.129 4.350 0.002 0.000 0.268 407 T C 1.845 176.719 174.700 0.290 0.000 1.033 407 T CA 1.858 64.070 62.100 0.188 0.000 1.152 407 T CB -0.303 68.755 68.868 0.317 0.000 0.859 407 T HN 0.301 nan 8.240 nan 0.000 0.452 408 M N -1.175 118.529 119.600 0.174 0.000 2.419 408 M HA 0.059 4.540 4.480 0.002 0.000 0.264 408 M C 1.865 178.292 176.300 0.211 0.000 1.082 408 M CA 0.778 56.135 55.300 0.095 0.000 1.119 408 M CB -0.870 31.557 32.600 -0.289 0.000 1.398 408 M HN 0.425 nan 8.290 nan 0.000 0.453 409 W N 0.548 121.999 121.300 0.251 0.000 2.379 409 W HA -0.072 4.589 4.660 0.002 0.000 0.307 409 W C 2.496 179.125 176.519 0.182 0.000 1.200 409 W CA 1.323 58.830 57.345 0.270 0.000 1.297 409 W CB -0.753 28.809 29.460 0.170 0.000 1.140 409 W HN 0.296 nan 8.180 nan 0.000 0.507 410 G N 0.073 109.067 108.800 0.324 0.000 2.491 410 G HA2 -0.334 3.627 3.960 0.002 0.000 0.218 410 G HA3 -0.334 3.627 3.960 0.002 0.000 0.218 410 G C 1.262 176.169 174.900 0.010 0.000 1.180 410 G CA 1.234 46.376 45.100 0.070 0.000 0.774 410 G HN 0.164 nan 8.290 nan 0.000 0.562 411 F N -0.220 119.734 119.950 0.006 0.000 2.102 411 F HA 0.032 4.560 4.527 0.002 0.000 0.298 411 F C 2.293 178.171 175.800 0.131 0.000 1.105 411 F CA 1.160 59.089 58.000 -0.118 0.000 1.239 411 F CB -0.536 38.239 39.000 -0.375 0.000 0.991 411 F HN 0.133 nan 8.300 nan 0.000 0.474 412 F N 1.131 121.234 119.950 0.254 0.000 2.043 412 F HA -0.250 4.278 4.527 0.002 0.000 0.297 412 F C 2.197 178.172 175.800 0.292 0.000 1.121 412 F CA 1.429 59.575 58.000 0.244 0.000 1.199 412 F CB -1.131 37.939 39.000 0.117 0.000 0.968 412 F HN -0.084 nan 8.300 nan 0.000 0.478 413 I N -0.235 120.408 120.570 0.121 0.000 2.091 413 I HA -0.349 3.822 4.170 0.002 0.000 0.239 413 I C 2.457 178.634 176.117 0.100 0.000 1.061 413 I CA 1.495 62.800 61.300 0.007 0.000 1.317 413 I CB -0.875 37.159 38.000 0.057 0.000 1.031 413 I HN 0.249 nan 8.210 nan 0.000 0.401 414 L N 0.765 122.020 121.223 0.054 0.000 1.991 414 L HA -0.319 4.022 4.340 0.002 0.000 0.221 414 L C 2.600 179.500 176.870 0.050 0.000 1.079 414 L CA 2.070 56.901 54.840 -0.013 0.000 0.778 414 L CB -0.886 41.082 42.059 -0.152 0.000 0.893 414 L HN 0.373 nan 8.230 nan 0.000 0.437 415 C N -1.311 118.081 119.300 0.154 0.000 2.413 415 C HA -0.171 4.290 4.460 0.002 0.000 0.277 415 C C 2.482 177.572 174.990 0.166 0.000 1.265 415 C CA 0.734 59.869 59.018 0.194 0.000 1.752 415 C CB -1.324 26.633 27.740 0.361 0.000 1.998 415 C HN 0.667 nan 8.230 nan 0.000 0.489 416 F N 2.477 122.483 119.950 0.094 0.000 2.000 416 F HA -0.108 4.420 4.527 0.002 0.000 0.295 416 F C 2.334 178.082 175.800 -0.087 0.000 1.159 416 F CA 2.214 60.282 58.000 0.113 0.000 1.171 416 F CB -0.635 38.374 39.000 0.014 0.000 0.971 416 F HN 0.220 nan 8.300 nan 0.000 0.479 417 I N -0.376 120.299 120.570 0.174 0.000 2.399 417 I HA -0.204 3.967 4.170 0.002 0.000 0.254 417 I C 2.105 178.144 176.117 -0.130 0.000 1.146 417 I CA 1.639 62.954 61.300 0.024 0.000 1.412 417 I CB -1.610 36.446 38.000 0.093 0.000 1.076 417 I HN 0.243 nan 8.210 nan 0.000 0.432 418 A N 1.975 124.716 122.820 -0.132 0.000 1.873 418 A HA -0.120 4.201 4.320 0.002 0.000 0.215 418 A C 2.349 179.771 177.584 -0.271 0.000 1.186 418 A CA 2.403 54.341 52.037 -0.166 0.000 0.616 418 A CB -1.221 17.706 19.000 -0.121 0.000 0.823 418 A HN 0.546 nan 8.150 nan 0.000 0.442 419 T N -0.172 114.126 114.554 -0.428 0.000 2.777 419 T HA -0.094 4.257 4.350 0.002 0.000 0.266 419 T C 1.878 176.137 174.700 -0.735 0.000 1.040 419 T CA 1.362 63.086 62.100 -0.628 0.000 1.141 419 T CB -0.558 67.748 68.868 -0.937 0.000 0.868 419 T HN 0.138 nan 8.240 nan 0.000 0.444 420 V N 2.058 121.470 119.914 -0.836 0.000 2.231 420 V HA -0.279 3.842 4.120 0.002 0.000 0.250 420 V C 2.810 178.746 176.094 -0.265 0.000 1.058 420 V CA 2.415 64.411 62.300 -0.507 0.000 1.022 420 V CB -1.530 30.098 31.823 -0.326 0.000 0.640 420 V HN 0.527 nan 8.190 nan 0.000 0.445 421 T N 0.801 115.230 114.554 -0.208 0.000 2.620 421 T HA -0.300 4.051 4.350 0.002 0.000 0.267 421 T C 1.865 176.495 174.700 -0.117 0.000 1.044 421 T CA 2.283 64.309 62.100 -0.124 0.000 1.161 421 T CB -0.569 68.232 68.868 -0.111 0.000 0.862 421 T HN 0.362 nan 8.240 nan 0.000 0.438 422 L N 1.542 122.670 121.223 -0.159 0.000 1.971 422 L HA -0.118 4.223 4.340 0.002 0.000 0.215 422 L C 2.454 179.279 176.870 -0.075 0.000 1.072 422 L CA 1.736 56.506 54.840 -0.116 0.000 0.758 422 L CB -1.138 40.835 42.059 -0.144 0.000 0.889 422 L HN 0.154 nan 8.230 nan 0.000 0.433 423 V N 0.666 120.506 119.914 -0.122 0.000 2.233 423 V HA -0.332 3.790 4.120 0.002 0.000 0.247 423 V C 2.594 178.698 176.094 0.015 0.000 1.050 423 V CA 2.056 64.326 62.300 -0.049 0.000 1.010 423 V CB -1.197 30.578 31.823 -0.079 0.000 0.637 423 V HN 0.692 nan 8.190 nan 0.000 0.444 424 N N 0.862 119.563 118.700 0.002 0.000 2.096 424 N HA -0.248 4.493 4.740 0.002 0.000 0.195 424 N C 1.739 177.299 175.510 0.084 0.000 1.017 424 N CA 2.338 55.419 53.050 0.051 0.000 0.870 424 N CB -0.381 38.123 38.487 0.029 0.000 1.024 424 N HN 0.478 nan 8.380 nan 0.000 0.434 425 A N 0.057 122.901 122.820 0.041 0.000 1.877 425 A HA -0.122 4.199 4.320 0.002 0.000 0.216 425 A C 2.853 180.498 177.584 0.100 0.000 1.186 425 A CA 1.572 53.638 52.037 0.048 0.000 0.620 425 A CB -1.080 17.920 19.000 -0.000 0.000 0.822 425 A HN 0.572 nan 8.150 nan 0.000 0.443 426 C N 0.236 119.586 119.300 0.085 0.000 2.435 426 C HA -0.055 4.406 4.460 0.002 0.000 0.279 426 C C 3.311 178.354 174.990 0.090 0.000 1.321 426 C CA 1.127 60.197 59.018 0.086 0.000 1.752 426 C CB -1.319 26.467 27.740 0.078 0.000 1.959 426 C HN 0.760 nan 8.230 nan 0.000 0.500 427 S N 0.376 116.154 115.700 0.130 0.000 2.338 427 S HA -0.250 4.221 4.470 0.002 0.000 0.218 427 S C 1.681 176.388 174.600 0.178 0.000 1.032 427 S CA 1.482 59.782 58.200 0.166 0.000 0.999 427 S CB -1.163 62.142 63.200 0.175 0.000 0.905 427 S HN 0.692 nan 8.310 nan 0.000 0.439 428 Y N 2.906 123.246 120.300 0.067 0.000 2.014 428 Y HA -0.291 4.260 4.550 0.002 0.000 0.272 428 Y C 2.726 178.647 175.900 0.035 0.000 1.164 428 Y CA 2.402 60.538 58.100 0.061 0.000 1.114 428 Y CB -1.093 37.400 38.460 0.055 0.000 0.961 428 Y HN 0.265 nan 8.280 nan 0.000 0.489 429 T N 1.559 116.373 114.554 0.434 0.000 2.720 429 T HA -0.223 4.128 4.350 0.002 0.000 0.268 429 T C 1.954 176.677 174.700 0.039 0.000 1.037 429 T CA 1.684 63.950 62.100 0.277 0.000 1.144 429 T CB -0.547 68.426 68.868 0.175 0.000 0.864 429 T HN 0.329 nan 8.240 nan 0.000 0.444 430 L N 0.556 121.729 121.223 -0.083 0.000 1.988 430 L HA -0.094 4.247 4.340 0.002 0.000 0.207 430 L C 3.092 179.714 176.870 -0.413 0.000 1.071 430 L CA 1.372 55.968 54.840 -0.406 0.000 0.744 430 L CB -0.751 40.914 42.059 -0.656 0.000 0.893 430 L HN 0.262 nan 8.230 nan 0.000 0.433 431 A N -0.562 122.183 122.820 -0.124 0.000 1.948 431 A HA -0.276 4.045 4.320 0.002 0.000 0.220 431 A C 2.281 179.891 177.584 0.042 0.000 1.177 431 A CA 1.886 54.025 52.037 0.169 0.000 0.636 431 A CB -0.466 18.655 19.000 0.202 0.000 0.815 431 A HN 0.365 nan 8.150 nan 0.000 0.449 432 M N 0.248 119.808 119.600 -0.067 0.000 2.132 432 M HA -0.104 4.378 4.480 0.002 0.000 0.263 432 M C 2.137 178.427 176.300 -0.017 0.000 1.065 432 M CA 1.883 57.137 55.300 -0.077 0.000 1.122 432 M CB -0.825 31.724 32.600 -0.085 0.000 1.365 432 M HN 0.591 nan 8.290 nan 0.000 0.411 433 S N -2.020 113.659 115.700 -0.034 0.000 2.562 433 S HA -0.027 4.444 4.470 0.002 0.000 0.221 433 S C 1.598 176.190 174.600 -0.014 0.000 0.975 433 S CA 0.954 59.132 58.200 -0.037 0.000 0.918 433 S CB -0.350 62.802 63.200 -0.079 0.000 0.772 433 S HN 0.458 nan 8.310 nan 0.000 0.531 434 T N 0.193 114.764 114.554 0.030 0.000 3.044 434 T HA 0.287 4.638 4.350 0.002 0.000 0.260 434 T C 0.083 174.903 174.700 0.201 0.000 1.019 434 T CA -0.174 62.017 62.100 0.151 0.000 0.921 434 T CB -0.325 68.706 68.868 0.271 0.000 1.053 434 T HN 0.425 nan 8.240 nan 0.000 0.533 435 C N 2.850 122.220 119.300 0.118 0.000 2.329 435 C HA 0.891 5.352 4.460 0.002 0.000 0.329 435 C C 0.907 175.921 174.990 0.039 0.000 1.275 435 C CA -1.175 57.886 59.018 0.073 0.000 1.726 435 C CB 0.454 28.223 27.740 0.048 0.000 2.291 435 C HN 0.691 nan 8.230 nan 0.000 0.514 436 R N 1.231 121.748 120.500 0.028 0.000 2.560 436 R HA 0.497 4.838 4.340 0.002 0.000 0.270 436 R C 0.567 176.876 176.300 0.015 0.000 1.074 436 R CA -0.120 55.994 56.100 0.023 0.000 1.140 436 R CB -0.447 29.866 30.300 0.021 0.000 1.073 436 R HN 0.910 nan 8.270 nan 0.000 0.527 437 E N -1.218 118.992 120.200 0.017 0.000 2.210 437 E HA -0.154 4.197 4.350 0.002 0.000 0.201 437 E C -0.546 176.062 176.600 0.012 0.000 1.339 437 E CA 0.865 57.274 56.400 0.015 0.000 0.699 437 E CB -1.918 27.788 29.700 0.011 0.000 1.126 437 E HN 0.814 nan 8.360 nan 0.000 0.355 438 V N -1.556 118.367 119.914 0.015 0.000 2.443 438 V HA 0.500 4.621 4.120 0.002 0.000 0.293 438 V C 0.374 176.482 176.094 0.023 0.000 1.021 438 V CA -1.059 61.247 62.300 0.011 0.000 0.848 438 V CB 1.700 33.520 31.823 -0.005 0.000 0.998 438 V HN 0.190 nan 8.190 nan 0.000 0.424 439 R N 2.388 122.903 120.500 0.026 0.000 2.643 439 R HA 0.235 4.576 4.340 0.002 0.000 0.270 439 R C -0.017 176.315 176.300 0.053 0.000 1.061 439 R CA -0.390 55.733 56.100 0.038 0.000 1.107 439 R CB 0.492 30.812 30.300 0.033 0.000 0.999 439 R HN 0.885 nan 8.270 nan 0.000 0.460 440 D N 0.260 120.698 120.400 0.063 0.000 2.399 440 D HA 0.089 4.730 4.640 0.002 0.000 0.241 440 D C 1.116 177.470 176.300 0.090 0.000 1.133 440 D CA 1.463 55.515 54.000 0.086 0.000 0.890 440 D CB 0.885 41.718 40.800 0.055 0.000 1.201 440 D HN 0.665 nan 8.370 nan 0.000 0.432 441 G N 2.645 111.535 108.800 0.150 0.000 2.176 441 G HA2 -0.238 3.723 3.960 0.002 0.000 0.253 441 G HA3 -0.238 3.723 3.960 0.002 0.000 0.253 441 G C 0.092 175.084 174.900 0.153 0.000 0.979 441 G CA 0.331 45.515 45.100 0.139 0.000 0.641 441 G HN 0.563 nan 8.290 nan 0.000 0.530 442 E N 0.688 120.971 120.200 0.139 0.000 2.191 442 E HA 0.440 4.791 4.350 0.002 0.000 0.274 442 E C -1.154 175.472 176.600 0.043 0.000 0.948 442 E CA -0.932 55.516 56.400 0.081 0.000 0.802 442 E CB 1.046 30.770 29.700 0.039 0.000 1.137 442 E HN 0.162 nan 8.360 nan 0.000 0.397 443 D N 3.821 124.246 120.400 0.042 0.000 2.371 443 D HA 0.145 4.787 4.640 0.002 0.000 0.256 443 D C -2.111 174.150 176.300 -0.066 0.000 1.193 443 D CA -0.989 53.007 54.000 -0.007 0.000 0.881 443 D CB 0.521 41.350 40.800 0.049 0.000 1.143 443 D HN 0.105 nan 8.370 nan 0.000 0.473 444 P HA 0.277 nan 4.420 nan 0.000 0.276 444 P C -2.583 174.695 177.300 -0.038 0.000 1.261 444 P CA -1.419 61.618 63.100 -0.104 0.000 0.800 444 P CB -0.325 31.276 31.700 -0.166 0.000 1.066 445 P HA -0.030 nan 4.420 nan 0.000 0.260 445 P C 1.077 178.389 177.300 0.020 0.000 1.185 445 P CA 0.271 63.372 63.100 0.002 0.000 0.763 445 P CB 0.258 31.958 31.700 -0.001 0.000 0.776 446 L N 2.781 124.015 121.223 0.020 0.000 2.129 446 L HA -0.173 4.168 4.340 0.002 0.000 0.212 446 L C 1.993 178.884 176.870 0.034 0.000 1.087 446 L CA 1.662 56.521 54.840 0.032 0.000 0.757 446 L CB -0.750 41.327 42.059 0.030 0.000 0.896 446 L HN 0.407 nan 8.230 nan 0.000 0.434 447 L N -1.268 119.965 121.223 0.017 0.000 2.027 447 L HA -0.147 4.194 4.340 0.002 0.000 0.206 447 L C 2.674 179.549 176.870 0.009 0.000 1.074 447 L CA 1.197 56.039 54.840 0.005 0.000 0.745 447 L CB -1.339 40.710 42.059 -0.017 0.000 0.898 447 L HN 0.067 nan 8.230 nan 0.000 0.433 448 V N -0.128 119.805 119.914 0.033 0.000 2.407 448 V HA -0.282 3.840 4.120 0.002 0.000 0.248 448 V C 2.803 178.998 176.094 0.168 0.000 1.055 448 V CA 1.672 64.030 62.300 0.096 0.000 1.049 448 V CB -0.485 31.453 31.823 0.192 0.000 0.662 448 V HN 0.422 nan 8.190 nan 0.000 0.455 449 R N 0.343 120.940 120.500 0.161 0.000 2.092 449 R HA -0.136 4.205 4.340 0.002 0.000 0.226 449 R C 2.218 178.623 176.300 0.175 0.000 1.140 449 R CA 2.303 58.519 56.100 0.193 0.000 0.910 449 R CB -0.448 29.920 30.300 0.113 0.000 0.822 449 R HN 0.469 nan 8.270 nan 0.000 0.433 450 I N 0.460 121.094 120.570 0.107 0.000 2.423 450 I HA -0.172 3.999 4.170 0.002 0.000 0.254 450 I C 2.409 178.565 176.117 0.065 0.000 1.151 450 I CA 1.206 62.561 61.300 0.091 0.000 1.421 450 I CB -0.907 37.133 38.000 0.066 0.000 1.079 450 I HN 0.503 nan 8.210 nan 0.000 0.431 451 G N 1.078 109.882 108.800 0.008 0.000 2.514 451 G HA2 -0.266 3.696 3.960 0.002 0.000 0.217 451 G HA3 -0.266 3.696 3.960 0.002 0.000 0.217 451 G C 1.315 176.146 174.900 -0.116 0.000 1.198 451 G CA 0.767 45.803 45.100 -0.107 0.000 0.780 451 G HN 0.437 nan 8.290 nan 0.000 0.565 452 W N 1.658 122.965 121.300 0.011 0.000 2.338 452 W HA -0.113 4.548 4.660 0.002 0.000 0.304 452 W C 3.336 179.861 176.519 0.011 0.000 1.212 452 W CA 1.877 59.211 57.345 -0.019 0.000 1.264 452 W CB -0.437 29.006 29.460 -0.028 0.000 1.142 452 W HN 0.337 nan 8.180 nan 0.000 0.512 453 S N 1.170 117.023 115.700 0.256 0.000 2.402 453 S HA -0.292 4.180 4.470 0.002 0.000 0.233 453 S C 1.720 176.408 174.600 0.145 0.000 1.030 453 S CA 1.721 60.029 58.200 0.181 0.000 1.003 453 S CB -1.277 62.013 63.200 0.150 0.000 0.813 453 S HN 0.514 nan 8.310 nan 0.000 0.477 454 I N -1.137 119.500 120.570 0.112 0.000 2.286 454 I HA 0.033 4.204 4.170 0.002 0.000 0.245 454 I C 2.378 178.550 176.117 0.093 0.000 1.104 454 I CA 1.025 62.377 61.300 0.086 0.000 1.397 454 I CB -0.518 37.511 38.000 0.048 0.000 1.072 454 I HN 0.273 nan 8.210 nan 0.000 0.417 455 L N 1.195 122.478 121.223 0.100 0.000 2.046 455 L HA -0.101 4.240 4.340 0.002 0.000 0.208 455 L C 2.437 179.393 176.870 0.144 0.000 1.077 455 L CA 1.660 56.571 54.840 0.118 0.000 0.747 455 L CB -0.687 41.461 42.059 0.148 0.000 0.896 455 L HN 0.144 nan 8.230 nan 0.000 0.432 456 V N -0.018 119.995 119.914 0.165 0.000 2.233 456 V HA -0.249 3.872 4.120 0.002 0.000 0.247 456 V C 2.570 178.743 176.094 0.131 0.000 1.050 456 V CA 2.001 64.385 62.300 0.139 0.000 1.010 456 V CB -1.403 30.500 31.823 0.134 0.000 0.637 456 V HN 0.623 nan 8.190 nan 0.000 0.444 457 G N -0.813 108.067 108.800 0.133 0.000 2.462 457 G HA2 -0.244 3.717 3.960 0.002 0.000 0.220 457 G HA3 -0.244 3.717 3.960 0.002 0.000 0.220 457 G C 1.546 176.514 174.900 0.113 0.000 1.121 457 G CA 1.061 46.241 45.100 0.133 0.000 0.758 457 G HN 0.511 nan 8.290 nan 0.000 0.559 458 I N 0.547 121.180 120.570 0.106 0.000 2.233 458 I HA -0.099 4.072 4.170 0.002 0.000 0.243 458 I C 2.597 178.778 176.117 0.107 0.000 1.093 458 I CA 0.472 61.830 61.300 0.097 0.000 1.380 458 I CB -0.091 37.966 38.000 0.095 0.000 1.067 458 I HN 0.090 nan 8.210 nan 0.000 0.413 459 I N 0.809 121.455 120.570 0.127 0.000 2.127 459 I HA -0.265 3.906 4.170 0.002 0.000 0.241 459 I C 2.726 178.912 176.117 0.115 0.000 1.075 459 I CA 2.042 63.431 61.300 0.149 0.000 1.334 459 I CB -1.830 36.285 38.000 0.191 0.000 1.040 459 I HN 0.292 nan 8.210 nan 0.000 0.405 460 G N 2.039 110.904 108.800 0.108 0.000 2.513 460 G HA2 -0.261 3.700 3.960 0.002 0.000 0.219 460 G HA3 -0.261 3.700 3.960 0.002 0.000 0.219 460 G C 1.660 176.598 174.900 0.064 0.000 1.160 460 G CA 1.326 46.478 45.100 0.087 0.000 0.767 460 G HN 0.498 nan 8.290 nan 0.000 0.571 461 I N 0.167 120.777 120.570 0.066 0.000 2.226 461 I HA -0.110 4.061 4.170 0.002 0.000 0.245 461 I C 2.626 178.764 176.117 0.035 0.000 1.100 461 I CA 0.501 61.828 61.300 0.045 0.000 1.374 461 I CB -0.838 37.187 38.000 0.043 0.000 1.057 461 I HN 0.006 nan 8.210 nan 0.000 0.413 462 V N 1.817 121.759 119.914 0.047 0.000 2.380 462 V HA -0.262 3.859 4.120 0.002 0.000 0.251 462 V C 2.495 178.595 176.094 0.011 0.000 1.063 462 V CA 1.922 64.244 62.300 0.036 0.000 1.055 462 V CB -0.689 31.169 31.823 0.058 0.000 0.657 462 V HN 0.418 nan 8.190 nan 0.000 0.455 463 L N -1.202 120.027 121.223 0.011 0.000 2.068 463 L HA -0.075 4.266 4.340 0.002 0.000 0.204 463 L C 2.391 179.250 176.870 -0.019 0.000 1.076 463 L CA 1.157 55.986 54.840 -0.019 0.000 0.753 463 L CB -0.558 41.488 42.059 -0.022 0.000 0.910 463 L HN 0.241 nan 8.230 nan 0.000 0.439 464 L N 0.047 121.270 121.223 -0.000 0.000 2.081 464 L HA -0.258 4.083 4.340 0.002 0.000 0.212 464 L C 2.862 179.733 176.870 0.002 0.000 1.080 464 L CA 1.266 56.109 54.840 0.006 0.000 0.754 464 L CB -0.680 41.389 42.059 0.018 0.000 0.893 464 L HN 0.286 nan 8.230 nan 0.000 0.433 465 A N 0.059 122.878 122.820 -0.001 0.000 1.841 465 A HA -0.171 4.150 4.320 0.002 0.000 0.214 465 A C 2.173 179.748 177.584 -0.015 0.000 1.195 465 A CA 1.337 53.371 52.037 -0.005 0.000 0.611 465 A CB -0.849 18.151 19.000 0.001 0.000 0.835 465 A HN 0.338 nan 8.150 nan 0.000 0.443 466 L N -0.616 120.591 121.223 -0.025 0.000 2.263 466 L HA -0.040 4.301 4.340 0.002 0.000 0.216 466 L C 1.364 178.207 176.870 -0.046 0.000 1.111 466 L CA 0.505 55.320 54.840 -0.042 0.000 0.773 466 L CB -1.259 40.765 42.059 -0.059 0.000 0.906 466 L HN 0.712 nan 8.230 nan 0.000 0.439 467 G N -0.644 108.134 108.800 -0.036 0.000 2.825 467 G HA2 0.173 4.134 3.960 0.002 0.000 0.686 467 G HA3 0.173 4.134 3.960 0.002 0.000 0.686 467 G C 0.185 175.051 174.900 -0.055 0.000 1.362 467 G CA -0.208 44.873 45.100 -0.032 0.000 0.975 467 G HN 0.829 nan 8.290 nan 0.000 0.594 468 G N -0.218 108.555 108.800 -0.046 0.000 2.655 468 G HA2 0.161 4.122 3.960 0.002 0.000 0.680 468 G HA3 0.161 4.122 3.960 0.002 0.000 0.680 468 G C 0.682 175.524 174.900 -0.097 0.000 1.302 468 G CA 0.085 45.142 45.100 -0.071 0.000 0.872 468 G HN 1.587 nan 8.290 nan 0.000 0.540 469 L N -0.101 121.042 121.223 -0.134 0.000 2.408 469 L HA 0.150 4.492 4.340 0.002 0.000 0.215 469 L C 2.864 179.535 176.870 -0.332 0.000 1.081 469 L CA 0.548 55.286 54.840 -0.170 0.000 0.840 469 L CB -0.384 41.613 42.059 -0.104 0.000 1.002 469 L HN 0.478 nan 8.230 nan 0.000 0.468 470 K N 0.666 120.837 120.400 -0.382 0.000 2.127 470 K HA -0.180 4.141 4.320 0.002 0.000 0.208 470 K C -0.434 175.930 176.600 -0.392 0.000 1.047 470 K CA 1.759 57.746 56.287 -0.500 0.000 0.927 470 K CB -1.293 30.953 32.500 -0.423 0.000 0.716 470 K HN 0.251 nan 8.250 nan 0.000 0.450 471 P HA -0.110 nan 4.420 nan 0.000 0.212 471 P C 1.696 178.851 177.300 -0.241 0.000 1.180 471 P CA 1.007 63.977 63.100 -0.216 0.000 0.906 471 P CB -0.071 31.537 31.700 -0.154 0.000 0.782 472 I N -0.140 120.295 120.570 -0.225 0.000 2.132 472 I HA -0.410 3.761 4.170 0.002 0.000 0.238 472 I C 2.630 178.534 176.117 -0.356 0.000 1.012 472 I CA 2.377 63.537 61.300 -0.233 0.000 1.288 472 I CB -1.079 36.826 38.000 -0.157 0.000 0.997 472 I HN 0.157 nan 8.210 nan 0.000 0.402 473 Q N -0.112 119.342 119.800 -0.577 0.000 2.172 473 Q HA -0.134 4.207 4.340 0.002 0.000 0.200 473 Q C 1.913 177.702 176.000 -0.352 0.000 0.964 473 Q CA 1.949 57.256 55.803 -0.827 0.000 0.855 473 Q CB -0.683 27.100 28.738 -1.592 0.000 0.918 473 Q HN 0.463 nan 8.270 nan 0.000 0.444 474 T N 1.796 116.185 114.554 -0.276 0.000 2.674 474 T HA -0.125 4.227 4.350 0.002 0.000 0.265 474 T C 2.134 176.745 174.700 -0.147 0.000 1.039 474 T CA 1.437 63.476 62.100 -0.102 0.000 1.150 474 T CB -0.563 68.246 68.868 -0.099 0.000 0.864 474 T HN 0.514 nan 8.240 nan 0.000 0.427 475 A N 1.488 124.173 122.820 -0.224 0.000 1.882 475 A HA -0.207 4.114 4.320 0.002 0.000 0.220 475 A C 2.314 179.795 177.584 -0.172 0.000 1.253 475 A CA 2.035 53.911 52.037 -0.268 0.000 0.664 475 A CB -1.149 17.712 19.000 -0.231 0.000 0.838 475 A HN 0.504 nan 8.150 nan 0.000 0.460 476 I N -0.645 119.823 120.570 -0.169 0.000 2.090 476 I HA -0.266 3.905 4.170 0.002 0.000 0.236 476 I C 2.415 178.518 176.117 -0.023 0.000 1.064 476 I CA 1.677 62.899 61.300 -0.130 0.000 1.324 476 I CB -0.317 37.555 38.000 -0.214 0.000 1.044 476 I HN 0.362 nan 8.210 nan 0.000 0.399 477 I N 0.564 121.133 120.570 -0.001 0.000 2.185 477 I HA -0.393 3.779 4.170 0.002 0.000 0.246 477 I C 2.708 178.824 176.117 -0.002 0.000 1.088 477 I CA 1.526 62.806 61.300 -0.033 0.000 1.347 477 I CB -0.509 37.480 38.000 -0.019 0.000 1.041 477 I HN 0.285 nan 8.210 nan 0.000 0.415 478 A N 0.876 123.692 122.820 -0.006 0.000 1.851 478 A HA -0.163 4.158 4.320 0.002 0.000 0.216 478 A C 2.465 180.084 177.584 0.060 0.000 1.195 478 A CA 2.040 54.084 52.037 0.012 0.000 0.622 478 A CB -1.603 17.364 19.000 -0.055 0.000 0.831 478 A HN 0.454 nan 8.150 nan 0.000 0.444 479 G N -0.501 108.338 108.800 0.065 0.000 2.631 479 G HA2 -0.155 3.806 3.960 0.002 0.000 0.219 479 G HA3 -0.155 3.806 3.960 0.002 0.000 0.219 479 G C 1.620 176.582 174.900 0.103 0.000 1.214 479 G CA 1.544 46.710 45.100 0.110 0.000 0.785 479 G HN 0.995 nan 8.290 nan 0.000 0.596 480 G N -0.384 108.495 108.800 0.133 0.000 2.516 480 G HA2 -0.236 3.726 3.960 0.002 0.000 0.221 480 G HA3 -0.236 3.726 3.960 0.002 0.000 0.221 480 G C 1.753 176.842 174.900 0.314 0.000 1.107 480 G CA 1.338 46.586 45.100 0.246 0.000 0.747 480 G HN 0.518 nan 8.290 nan 0.000 0.567 481 C N 0.744 120.178 119.300 0.224 0.000 2.453 481 C HA 0.022 4.483 4.460 0.002 0.000 0.277 481 C C 0.759 175.819 174.990 0.118 0.000 1.262 481 C CA 1.114 60.215 59.018 0.140 0.000 1.718 481 C CB -0.901 26.872 27.740 0.055 0.000 2.031 481 C HN 0.360 nan 8.230 nan 0.000 0.480 482 P HA -0.057 nan 4.420 nan 0.000 0.215 482 P C 1.634 179.043 177.300 0.181 0.000 1.157 482 P CA 1.114 64.208 63.100 -0.010 0.000 0.859 482 P CB -0.264 31.276 31.700 -0.266 0.000 0.786 483 L N -1.850 119.442 121.223 0.115 0.000 2.261 483 L HA -0.162 4.179 4.340 0.002 0.000 0.216 483 L C 2.267 179.183 176.870 0.076 0.000 1.114 483 L CA 1.637 56.536 54.840 0.099 0.000 0.777 483 L CB -1.583 40.495 42.059 0.031 0.000 0.910 483 L HN 0.006 nan 8.230 nan 0.000 0.440 484 F N 0.893 120.746 119.950 -0.162 0.000 2.091 484 F HA -0.313 4.215 4.527 0.002 0.000 0.299 484 F C 2.178 177.787 175.800 -0.317 0.000 1.103 484 F CA 1.915 59.640 58.000 -0.458 0.000 1.228 484 F CB -0.302 38.200 39.000 -0.830 0.000 0.984 484 F HN -0.043 nan 8.300 nan 0.000 0.477 485 F N -1.061 118.994 119.950 0.176 0.000 2.387 485 F HA -0.020 4.508 4.527 0.002 0.000 0.294 485 F C 2.143 177.995 175.800 0.086 0.000 1.093 485 F CA 0.676 58.749 58.000 0.121 0.000 1.420 485 F CB -1.073 38.001 39.000 0.123 0.000 1.086 485 F HN -0.240 nan 8.300 nan 0.000 0.531 486 V N 0.876 120.962 119.914 0.288 0.000 2.231 486 V HA -0.361 3.760 4.120 0.002 0.000 0.248 486 V C 2.096 178.329 176.094 0.231 0.000 1.054 486 V CA 2.349 64.800 62.300 0.252 0.000 1.015 486 V CB -0.843 31.154 31.823 0.291 0.000 0.638 486 V HN 0.285 nan 8.190 nan 0.000 0.444 487 N N 0.285 119.106 118.700 0.203 0.000 2.037 487 N HA -0.181 4.560 4.740 0.002 0.000 0.196 487 N C 1.677 177.292 175.510 0.174 0.000 1.034 487 N CA 1.946 55.123 53.050 0.213 0.000 0.861 487 N CB -0.577 38.043 38.487 0.222 0.000 1.039 487 N HN 0.474 nan 8.380 nan 0.000 0.427 488 I N 0.288 120.916 120.570 0.097 0.000 2.264 488 I HA -0.297 3.874 4.170 0.002 0.000 0.248 488 I C 2.161 178.349 176.117 0.118 0.000 1.111 488 I CA 1.005 62.330 61.300 0.043 0.000 1.382 488 I CB -0.197 37.770 38.000 -0.056 0.000 1.060 488 I HN 0.189 nan 8.210 nan 0.000 0.418 489 M N -0.174 119.527 119.600 0.169 0.000 2.062 489 M HA -0.188 4.294 4.480 0.002 0.000 0.259 489 M C 2.479 178.893 176.300 0.189 0.000 1.076 489 M CA 1.708 57.123 55.300 0.191 0.000 1.122 489 M CB -0.415 32.319 32.600 0.222 0.000 1.312 489 M HN 0.038 nan 8.290 nan 0.000 0.412 490 V N 0.386 120.416 119.914 0.194 0.000 2.277 490 V HA -0.367 3.754 4.120 0.002 0.000 0.253 490 V C 2.322 178.541 176.094 0.208 0.000 1.067 490 V CA 2.558 64.968 62.300 0.184 0.000 1.047 490 V CB -1.326 30.588 31.823 0.152 0.000 0.649 490 V HN 0.566 nan 8.190 nan 0.000 0.447 491 T N -0.123 114.554 114.554 0.205 0.000 2.720 491 T HA -0.167 4.184 4.350 0.002 0.000 0.268 491 T C 1.841 176.737 174.700 0.328 0.000 1.037 491 T CA 1.770 64.043 62.100 0.289 0.000 1.144 491 T CB -0.301 68.722 68.868 0.258 0.000 0.864 491 T HN 0.313 nan 8.240 nan 0.000 0.444 492 L N 0.485 121.833 121.223 0.208 0.000 2.056 492 L HA -0.071 4.270 4.340 0.002 0.000 0.207 492 L C 2.838 179.803 176.870 0.158 0.000 1.078 492 L CA 0.989 55.919 54.840 0.151 0.000 0.749 492 L CB -0.532 41.592 42.059 0.109 0.000 0.901 492 L HN 0.252 nan 8.230 nan 0.000 0.433 493 S N 0.062 115.881 115.700 0.198 0.000 2.359 493 S HA -0.309 4.162 4.470 0.002 0.000 0.222 493 S C 2.058 176.841 174.600 0.305 0.000 1.038 493 S CA 1.930 60.265 58.200 0.225 0.000 1.051 493 S CB -0.527 62.816 63.200 0.237 0.000 0.944 493 S HN 0.443 nan 8.310 nan 0.000 0.433 494 F N 1.719 121.810 119.950 0.235 0.000 2.184 494 F HA -0.108 4.420 4.527 0.002 0.000 0.301 494 F C 1.726 177.501 175.800 -0.041 0.000 1.076 494 F CA 1.598 59.587 58.000 -0.017 0.000 1.295 494 F CB -0.297 38.451 39.000 -0.420 0.000 1.026 494 F HN 0.289 nan 8.300 nan 0.000 0.494 495 I N -0.035 120.446 120.570 -0.148 0.000 2.339 495 I HA -0.204 3.967 4.170 0.002 0.000 0.245 495 I C 2.562 178.604 176.117 -0.125 0.000 1.096 495 I CA 0.942 62.108 61.300 -0.224 0.000 1.408 495 I CB -0.626 37.367 38.000 -0.011 0.000 1.092 495 I HN 0.040 nan 8.210 nan 0.000 0.423 496 K N 0.864 121.251 120.400 -0.021 0.000 2.103 496 K HA -0.281 4.040 4.320 0.002 0.000 0.207 496 K C 1.693 178.302 176.600 0.016 0.000 1.048 496 K CA 1.830 58.124 56.287 0.013 0.000 0.930 496 K CB -0.229 32.295 32.500 0.040 0.000 0.716 496 K HN 0.293 nan 8.250 nan 0.000 0.444 497 D N -0.647 119.764 120.400 0.019 0.000 2.355 497 D HA -0.020 4.621 4.640 0.002 0.000 0.218 497 D C 1.034 177.368 176.300 0.056 0.000 1.004 497 D CA 0.520 54.571 54.000 0.085 0.000 0.880 497 D CB 0.433 41.364 40.800 0.219 0.000 0.911 497 D HN 0.285 nan 8.370 nan 0.000 0.528 498 A N 0.246 122.980 122.820 -0.144 0.000 2.197 498 A HA 0.096 4.417 4.320 0.002 0.000 0.210 498 A C 2.065 179.711 177.584 0.104 0.000 1.180 498 A CA 0.022 51.988 52.037 -0.119 0.000 0.846 498 A CB -0.034 18.684 19.000 -0.471 0.000 0.884 498 A HN 0.053 nan 8.150 nan 0.000 0.487 499 K N -0.239 120.219 120.400 0.097 0.000 2.209 499 K HA -0.131 4.190 4.320 0.002 0.000 0.204 499 K C 1.854 178.524 176.600 0.117 0.000 1.048 499 K CA 1.671 58.044 56.287 0.144 0.000 0.940 499 K CB -0.035 32.523 32.500 0.097 0.000 0.729 499 K HN 0.624 nan 8.250 nan 0.000 0.451 500 Q N -1.309 118.550 119.800 0.098 0.000 2.423 500 Q HA 0.064 4.405 4.340 0.002 0.000 0.231 500 Q C 1.175 177.235 176.000 0.099 0.000 0.894 500 Q CA 0.432 56.287 55.803 0.087 0.000 0.938 500 Q CB 0.515 29.294 28.738 0.069 0.000 1.079 500 Q HN 0.242 nan 8.270 nan 0.000 0.552 501 N N -0.390 118.387 118.700 0.127 0.000 2.436 501 N HA -0.083 4.658 4.740 0.002 0.000 0.178 501 N C 0.989 176.619 175.510 0.200 0.000 1.026 501 N CA 0.417 53.548 53.050 0.135 0.000 0.880 501 N CB -0.229 38.330 38.487 0.121 0.000 1.061 501 N HN 0.179 nan 8.380 nan 0.000 0.434 502 W N 2.246 123.571 121.300 0.042 0.000 2.338 502 W HA 0.032 4.694 4.660 0.002 0.000 0.325 502 W C 0.513 176.980 176.519 -0.087 0.000 1.206 502 W CA 1.081 58.404 57.345 -0.036 0.000 1.257 502 W CB -0.558 28.746 29.460 -0.259 0.000 1.184 502 W HN -0.023 nan 8.180 nan 0.000 0.456 503 K N 0.000 120.463 120.400 0.104 0.000 2.780 503 K HA 0.000 4.321 4.320 0.002 0.000 0.191 503 K CA 0.000 56.301 56.287 0.023 0.000 0.838 503 K CB 0.000 32.538 32.500 0.063 0.000 1.064 503 K HN 0.000 nan 8.250 nan 0.000 0.543