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 1hht_1_P DATA FIRST_RESID 1 DATA SEQUENCE PRRAPAFPLS DIKAQMLFAN NIKAQQASKR SFKEGAIETY EGLLSVDPRF DATA SEQUENCE LSFKNELSRY LTDHFPANVD EYGRVYGNGV RTNFFGMRHM NGFPMIPATW DATA SEQUENCE PLASNLKKRA DADLADGPVS ERDNLLFRAA VRLMFSDLEP VPLKIRKGSS DATA SEQUENCE TCIPYFSNDM GTKIEIAERA LEKAEEAGNL MLQGKFDDAY QLHQMGGAYY DATA SEQUENCE VVYRAQSTDA ITLDPKTGKF VSKDRMVADF EYAVTGGEQG SLFAASKDAS DATA SEQUENCE RLKEQYGIDV PDGFFCERRR TAMGGPFALN APIMAVAQPV RNKIYSKYAY DATA SEQUENCE TFHHTTRLNK EEKVKEWSLC VATDVSDHDT FWPGWLRDLI CDELLNMGYA DATA SEQUENCE PWWVKLFETS LKLPVYVGAP APEQGHTLLG DPSNPDLEVG LSSGQGATDL DATA SEQUENCE MGTLLMSITY LVMQLDHTAP HLNSRIKDMP SACRFLDSYW QGHEEIRQIS DATA SEQUENCE KSDDAMLGWT KGRALVGGHR LFEMLKEGKV NPSPYMKISY EHGGAFLGDI DATA SEQUENCE LLYDSRREPG SAIFVGNINS MLNNQFSPEY GVQSGVRDRS KRKRPFPGLA DATA SEQUENCE WASMKDTYGA CPIYSDVLEA IERCWWNAFG ESYRAYREDM LKRDTLELSR DATA SEQUENCE YVASMARQAG LAELTPIDLE VLADPNKLQY KWTEADVSAN IHEVLMHGVS DATA SEQUENCE VEKTERFLRS VMPR 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 1 P HA 0.000 nan 4.420 nan 0.000 0.216 1 P C 0.000 177.279 177.300 -0.035 0.000 1.155 1 P CA 0.000 63.079 63.100 -0.035 0.000 0.800 1 P CB 0.000 31.678 31.700 -0.036 0.000 0.726 2 R N 2.053 122.531 120.500 -0.036 0.000 2.011 2 R HA -0.096 4.708 4.340 0.774 0.000 0.379 2 R C -0.501 175.769 176.300 -0.051 0.000 1.107 2 R CA 0.703 56.783 56.100 -0.034 0.000 0.754 2 R CB -0.692 29.595 30.300 -0.021 0.000 2.460 2 R HN 0.635 nan 8.270 nan 0.000 0.482 3 R N 3.119 123.581 120.500 -0.063 0.000 2.390 3 R HA 0.671 5.475 4.340 0.774 0.000 0.291 3 R C 0.177 176.427 176.300 -0.083 0.000 1.070 3 R CA 0.155 56.200 56.100 -0.092 0.000 1.014 3 R CB 1.154 31.390 30.300 -0.106 0.000 1.007 3 R HN 0.519 nan 8.270 nan 0.000 0.466 4 A N 5.228 127.992 122.820 -0.094 0.000 2.498 4 A HA 0.270 5.054 4.320 0.774 0.000 0.239 4 A C -1.879 175.658 177.584 -0.079 0.000 1.068 4 A CA -1.287 50.713 52.037 -0.062 0.000 0.766 4 A CB -0.369 18.602 19.000 -0.048 0.000 1.003 4 A HN 0.789 nan 8.150 nan 0.000 0.497 5 P HA 0.407 nan 4.420 nan 0.000 0.275 5 P C -0.695 176.446 177.300 -0.266 0.000 1.227 5 P CA 0.119 63.110 63.100 -0.182 0.000 0.781 5 P CB 1.285 32.943 31.700 -0.070 0.000 0.906 6 A N 3.219 125.749 122.820 -0.484 0.000 2.393 6 A HA 0.759 5.543 4.320 0.774 0.000 0.306 6 A C -1.290 175.988 177.584 -0.509 0.000 1.050 6 A CA -0.518 51.375 52.037 -0.241 0.000 0.724 6 A CB 0.858 19.971 19.000 0.188 0.000 1.248 6 A HN 0.353 nan 8.150 nan 0.000 0.424 7 F N 2.370 122.432 119.950 0.188 0.000 2.532 7 F HA 0.643 5.634 4.527 0.773 0.000 0.321 7 F C -2.190 173.728 175.800 0.196 0.000 1.089 7 F CA -2.563 55.538 58.000 0.167 0.000 0.926 7 F CB 1.991 41.083 39.000 0.154 0.000 1.168 7 F HN 0.325 nan 8.300 nan 0.000 0.459 8 P HA 0.074 nan 4.420 nan 0.000 0.276 8 P C 0.756 178.252 177.300 0.327 0.000 1.244 8 P CA -0.396 62.866 63.100 0.270 0.000 0.801 8 P CB 1.550 33.354 31.700 0.174 0.000 1.006 9 L N 2.835 124.267 121.223 0.348 0.000 2.189 9 L HA -0.212 4.592 4.340 0.774 0.000 0.214 9 L C 2.168 179.180 176.870 0.236 0.000 1.097 9 L CA 2.660 57.721 54.840 0.369 0.000 0.764 9 L CB -1.595 40.671 42.059 0.344 0.000 0.900 9 L HN 0.481 nan 8.230 nan 0.000 0.436 10 S N -2.228 113.581 115.700 0.180 0.000 2.489 10 S HA -0.074 4.860 4.470 0.774 0.000 0.228 10 S C 1.004 175.686 174.600 0.137 0.000 0.995 10 S CA 0.076 58.354 58.200 0.130 0.000 0.934 10 S CB -0.742 62.517 63.200 0.098 0.000 0.771 10 S HN 0.598 nan 8.310 nan 0.000 0.522 11 D N 1.122 121.630 120.400 0.180 0.000 2.382 11 D HA 0.052 5.156 4.640 0.774 0.000 0.245 11 D C 1.140 177.508 176.300 0.114 0.000 1.120 11 D CA -0.225 53.876 54.000 0.169 0.000 0.890 11 D CB 0.893 41.853 40.800 0.267 0.000 1.201 11 D HN 0.138 nan 8.370 nan 0.000 0.433 12 I N 4.255 124.871 120.570 0.075 0.000 2.399 12 I HA -0.255 4.379 4.170 0.774 0.000 0.254 12 I C 1.942 178.055 176.117 -0.006 0.000 1.146 12 I CA 1.594 62.920 61.300 0.044 0.000 1.412 12 I CB -0.032 37.989 38.000 0.035 0.000 1.076 12 I HN 0.388 nan 8.210 nan 0.000 0.432 13 K N 0.211 120.557 120.400 -0.091 0.000 2.148 13 K HA -0.027 4.757 4.320 0.774 0.000 0.204 13 K C 2.112 178.629 176.600 -0.138 0.000 1.050 13 K CA 1.182 57.332 56.287 -0.230 0.000 0.942 13 K CB -0.240 31.884 32.500 -0.627 0.000 0.724 13 K HN 0.483 nan 8.250 nan 0.000 0.446 14 A N 1.089 123.918 122.820 0.014 0.000 1.855 14 A HA -0.126 4.658 4.320 0.774 0.000 0.213 14 A C 2.053 179.746 177.584 0.182 0.000 1.195 14 A CA 0.809 52.941 52.037 0.159 0.000 0.610 14 A CB -0.273 18.943 19.000 0.360 0.000 0.837 14 A HN 0.113 nan 8.150 nan 0.000 0.444 15 Q N -0.197 119.716 119.800 0.188 0.000 2.133 15 Q HA -0.184 4.620 4.340 0.774 0.000 0.208 15 Q C 1.918 178.019 176.000 0.170 0.000 0.991 15 Q CA 1.622 57.552 55.803 0.212 0.000 0.867 15 Q CB -0.522 28.294 28.738 0.131 0.000 0.911 15 Q HN 0.703 nan 8.270 nan 0.000 0.417 16 M N 0.115 119.759 119.600 0.074 0.000 2.722 16 M HA -0.034 4.910 4.480 0.774 0.000 0.238 16 M C 1.411 177.736 176.300 0.043 0.000 1.098 16 M CA 0.594 55.943 55.300 0.082 0.000 1.062 16 M CB -0.138 32.522 32.600 0.099 0.000 1.573 16 M HN 0.128 nan 8.290 nan 0.000 0.531 17 L N -1.051 120.047 121.223 -0.209 0.000 2.529 17 L HA 0.153 4.957 4.340 0.774 0.000 0.223 17 L C -0.288 176.128 176.870 -0.757 0.000 1.113 17 L CA 0.135 54.623 54.840 -0.586 0.000 0.861 17 L CB 0.155 41.602 42.059 -1.021 0.000 1.012 17 L HN 0.097 nan 8.230 nan 0.000 0.461 18 F N 0.056 120.034 119.950 0.046 0.000 2.507 18 F HA 0.597 5.588 4.527 0.774 0.000 0.328 18 F C 0.593 176.425 175.800 0.053 0.000 1.136 18 F CA -1.070 56.967 58.000 0.062 0.000 0.930 18 F CB 0.826 39.792 39.000 -0.056 0.000 1.166 18 F HN -0.234 nan 8.300 nan 0.000 0.436 19 A N 1.688 124.643 122.820 0.225 0.000 2.386 19 A HA 0.149 4.933 4.320 0.774 0.000 0.246 19 A C 0.564 178.256 177.584 0.179 0.000 1.089 19 A CA -0.435 51.716 52.037 0.190 0.000 0.790 19 A CB 0.122 19.306 19.000 0.306 0.000 1.042 19 A HN 0.758 nan 8.150 nan 0.000 0.497 20 N N 1.014 119.798 118.700 0.140 0.000 3.193 20 N HA 0.101 5.306 4.740 0.774 0.000 0.312 20 N C -0.722 174.837 175.510 0.081 0.000 1.261 20 N CA 0.127 53.232 53.050 0.093 0.000 1.208 20 N CB -1.024 37.504 38.487 0.068 0.000 1.471 20 N HN 0.741 nan 8.380 nan 0.000 0.548 21 N N -0.632 118.121 118.700 0.088 0.000 2.610 21 N HA 0.274 5.478 4.740 0.774 0.000 0.264 21 N C 0.632 176.165 175.510 0.038 0.000 1.348 21 N CA -0.792 52.296 53.050 0.064 0.000 0.819 21 N CB 0.630 39.169 38.487 0.086 0.000 1.521 21 N HN -0.249 nan 8.380 nan 0.000 0.497 22 I N 0.087 120.668 120.570 0.017 0.000 2.142 22 I HA -0.184 4.450 4.170 0.774 0.000 0.240 22 I C 1.897 177.999 176.117 -0.026 0.000 1.078 22 I CA 1.261 62.555 61.300 -0.009 0.000 1.343 22 I CB -1.208 36.785 38.000 -0.011 0.000 1.046 22 I HN 0.603 nan 8.210 nan 0.000 0.405 23 K N 1.390 121.790 120.400 0.001 0.000 2.030 23 K HA -0.246 4.538 4.320 0.774 0.000 0.222 23 K C 2.210 178.748 176.600 -0.102 0.000 1.056 23 K CA 2.103 58.385 56.287 -0.007 0.000 0.957 23 K CB -0.970 31.576 32.500 0.076 0.000 0.727 23 K HN 0.395 nan 8.250 nan 0.000 0.452 24 A N 1.872 124.679 122.820 -0.022 0.000 1.851 24 A HA -0.241 4.543 4.320 0.774 0.000 0.216 24 A C 2.272 179.682 177.584 -0.289 0.000 1.195 24 A CA 1.843 53.803 52.037 -0.127 0.000 0.622 24 A CB -0.561 18.596 19.000 0.263 0.000 0.831 24 A HN 0.319 nan 8.150 nan 0.000 0.444 25 Q N -0.397 119.315 119.800 -0.148 0.000 2.096 25 Q HA -0.277 4.527 4.340 0.774 0.000 0.208 25 Q C 2.173 178.002 176.000 -0.284 0.000 0.993 25 Q CA 2.180 57.856 55.803 -0.212 0.000 0.862 25 Q CB -0.666 28.010 28.738 -0.103 0.000 0.915 25 Q HN 0.838 nan 8.270 nan 0.000 0.416 26 Q N -0.461 119.213 119.800 -0.210 0.000 2.135 26 Q HA -0.123 4.682 4.340 0.774 0.000 0.204 26 Q C 1.943 177.814 176.000 -0.216 0.000 0.981 26 Q CA 1.442 57.142 55.803 -0.171 0.000 0.856 26 Q CB -0.143 28.528 28.738 -0.111 0.000 0.902 26 Q HN 0.423 nan 8.270 nan 0.000 0.425 27 A N 0.526 123.109 122.820 -0.395 0.000 1.929 27 A HA -0.166 4.618 4.320 0.774 0.000 0.216 27 A C 2.187 179.595 177.584 -0.293 0.000 1.176 27 A CA 1.519 53.306 52.037 -0.418 0.000 0.628 27 A CB -0.575 17.750 19.000 -1.125 0.000 0.816 27 A HN 0.447 nan 8.150 nan 0.000 0.444 28 S N 0.169 115.426 115.700 -0.739 0.000 2.382 28 S HA -0.164 4.771 4.470 0.774 0.000 0.228 28 S C 1.707 176.213 174.600 -0.157 0.000 1.027 28 S CA 1.613 59.211 58.200 -1.004 0.000 0.991 28 S CB -0.302 61.744 63.200 -1.924 0.000 0.823 28 S HN 0.611 nan 8.310 nan 0.000 0.469 29 K N 0.118 120.439 120.400 -0.133 0.000 2.352 29 K HA 0.265 5.049 4.320 0.774 0.000 0.194 29 K C 0.640 177.311 176.600 0.118 0.000 1.038 29 K CA -0.308 55.963 56.287 -0.028 0.000 1.023 29 K CB 0.016 32.444 32.500 -0.119 0.000 0.840 29 K HN 0.145 nan 8.250 nan 0.000 0.519 30 R N 2.669 123.248 120.500 0.133 0.000 2.560 30 R HA -0.098 4.706 4.340 0.774 0.000 0.296 30 R C -0.289 176.189 176.300 0.296 0.000 0.873 30 R CA 0.382 56.575 56.100 0.156 0.000 1.140 30 R CB -0.083 30.302 30.300 0.142 0.000 0.875 30 R HN 0.211 nan 8.270 nan 0.000 0.419 31 S N 3.942 119.765 115.700 0.205 0.000 2.713 31 S HA 0.370 5.304 4.470 0.774 0.000 0.283 31 S C -0.099 174.628 174.600 0.212 0.000 1.161 31 S CA -0.973 57.387 58.200 0.266 0.000 0.999 31 S CB 0.690 63.998 63.200 0.180 0.000 1.039 31 S HN 0.497 nan 8.310 nan 0.000 0.548 32 F N 1.412 121.433 119.950 0.119 0.000 2.629 32 F HA 0.378 5.369 4.527 0.773 0.000 0.377 32 F C 0.210 176.053 175.800 0.072 0.000 1.101 32 F CA 0.759 58.803 58.000 0.074 0.000 1.301 32 F CB 0.131 39.169 39.000 0.064 0.000 1.062 32 F HN 0.622 nan 8.300 nan 0.000 0.583 33 K N 4.430 124.328 120.400 -0.837 0.000 2.498 33 K HA 0.405 5.189 4.320 0.774 0.000 0.254 33 K C -1.404 174.767 176.600 -0.716 0.000 0.933 33 K CA -0.772 55.192 56.287 -0.538 0.000 0.806 33 K CB 1.939 34.294 32.500 -0.242 0.000 1.301 33 K HN 0.728 nan 8.250 nan 0.000 0.432 34 E N 0.628 120.572 120.200 -0.427 0.000 2.454 34 E HA 0.837 5.651 4.350 0.774 0.000 0.279 34 E C -0.857 175.442 176.600 -0.502 0.000 1.029 34 E CA -1.553 54.589 56.400 -0.430 0.000 0.831 34 E CB 2.032 31.617 29.700 -0.191 0.000 1.405 34 E HN 0.606 nan 8.360 nan 0.000 0.463 35 G N -0.453 107.768 108.800 -0.965 0.000 2.322 35 G HA2 0.440 4.864 3.960 0.774 0.000 0.289 35 G HA3 0.440 4.864 3.960 0.774 0.000 0.289 35 G C -0.867 173.495 174.900 -0.896 0.000 1.687 35 G CA -0.489 44.052 45.100 -0.931 0.000 0.944 35 G HN 0.801 nan 8.290 nan 0.000 0.718 36 A N 1.187 123.673 122.820 -0.557 0.000 2.565 36 A HA 0.485 5.269 4.320 0.774 0.000 0.237 36 A C 1.088 178.592 177.584 -0.132 0.000 1.053 36 A CA 0.749 52.687 52.037 -0.165 0.000 0.755 36 A CB -0.313 18.758 19.000 0.118 0.000 0.980 36 A HN 1.955 nan 8.150 nan 0.000 0.506 37 I N -0.693 119.833 120.570 -0.073 0.000 2.713 37 I HA 0.419 5.053 4.170 0.774 0.000 0.300 37 I C 0.354 176.463 176.117 -0.013 0.000 1.009 37 I CA -0.582 60.688 61.300 -0.048 0.000 1.305 37 I CB 1.109 39.090 38.000 -0.031 0.000 1.430 37 I HN 0.703 nan 8.210 nan 0.000 0.546 38 E N 3.286 123.474 120.200 -0.021 0.000 1.861 38 E HA 0.108 4.922 4.350 0.774 0.000 0.263 38 E C 0.468 177.038 176.600 -0.049 0.000 1.137 38 E CA -0.151 56.239 56.400 -0.017 0.000 0.944 38 E CB 0.528 30.222 29.700 -0.010 0.000 1.092 38 E HN 0.818 nan 8.360 nan 0.000 0.420 39 T N 3.324 117.837 114.554 -0.067 0.000 2.624 39 T HA -0.194 4.621 4.350 0.774 0.000 0.268 39 T C -0.168 174.272 174.700 -0.433 0.000 1.041 39 T CA 1.628 63.616 62.100 -0.186 0.000 1.159 39 T CB -0.080 68.706 68.868 -0.137 0.000 0.863 39 T HN 0.350 nan 8.240 nan 0.000 0.434 40 Y N -0.408 119.914 120.300 0.037 0.000 2.581 40 Y HA 0.378 5.392 4.550 0.773 0.000 0.345 40 Y C -0.118 175.808 175.900 0.043 0.000 1.036 40 Y CA -1.797 56.337 58.100 0.056 0.000 1.042 40 Y CB 1.159 39.702 38.460 0.139 0.000 1.289 40 Y HN -0.063 nan 8.280 nan 0.000 0.471 41 E N 0.994 121.322 120.200 0.214 0.000 2.868 41 E HA 0.164 4.978 4.350 0.774 0.000 0.246 41 E C 0.714 177.386 176.600 0.120 0.000 0.962 41 E CA 1.550 58.022 56.400 0.119 0.000 0.955 41 E CB -0.084 29.668 29.700 0.087 0.000 0.903 41 E HN 0.909 nan 8.360 nan 0.000 0.524 42 G N 3.520 112.364 108.800 0.073 0.000 2.148 42 G HA2 -0.278 4.146 3.960 0.774 0.000 0.254 42 G HA3 -0.278 4.146 3.960 0.774 0.000 0.254 42 G C -0.082 174.849 174.900 0.051 0.000 0.981 42 G CA -0.033 45.100 45.100 0.055 0.000 0.670 42 G HN 0.478 nan 8.290 nan 0.000 0.528 43 L N 0.406 121.663 121.223 0.056 0.000 2.376 43 L HA 0.642 5.446 4.340 0.774 0.000 0.275 43 L C -0.634 176.226 176.870 -0.017 0.000 0.987 43 L CA -1.083 53.764 54.840 0.012 0.000 0.828 43 L CB 1.337 43.395 42.059 -0.001 0.000 1.249 43 L HN 0.008 nan 8.230 nan 0.000 0.409 44 L N 3.117 124.340 121.223 0.001 0.000 2.292 44 L HA 0.235 5.039 4.340 0.774 0.000 0.284 44 L C 1.556 178.473 176.870 0.079 0.000 1.065 44 L CA 0.510 55.370 54.840 0.033 0.000 0.806 44 L CB 1.777 43.867 42.059 0.051 0.000 1.175 44 L HN 0.778 nan 8.230 nan 0.000 0.431 45 S N 2.367 118.148 115.700 0.134 0.000 2.420 45 S HA -0.144 4.790 4.470 0.774 0.000 0.237 45 S C 1.141 175.986 174.600 0.409 0.000 1.023 45 S CA 1.300 59.693 58.200 0.321 0.000 0.991 45 S CB -0.537 62.831 63.200 0.281 0.000 0.792 45 S HN 0.588 nan 8.310 nan 0.000 0.488 46 V N -1.145 118.929 119.914 0.267 0.000 3.542 46 V HA 0.290 4.874 4.120 0.774 0.000 0.296 46 V C 0.394 176.559 176.094 0.117 0.000 1.364 46 V CA -0.307 62.109 62.300 0.194 0.000 1.118 46 V CB -0.801 31.128 31.823 0.177 0.000 0.972 46 V HN 0.309 nan 8.190 nan 0.000 0.430 47 D N 2.308 122.796 120.400 0.147 0.000 2.533 47 D HA 0.060 5.164 4.640 0.774 0.000 0.236 47 D C -1.356 174.960 176.300 0.027 0.000 1.137 47 D CA -1.115 52.929 54.000 0.073 0.000 0.867 47 D CB 1.949 42.796 40.800 0.079 0.000 1.170 47 D HN 0.134 nan 8.370 nan 0.000 0.474 48 P HA -0.146 nan 4.420 nan 0.000 0.216 48 P C 1.247 178.432 177.300 -0.192 0.000 1.153 48 P CA 1.424 64.443 63.100 -0.136 0.000 0.858 48 P CB 0.231 31.848 31.700 -0.137 0.000 0.789 49 R N -1.793 118.535 120.500 -0.286 0.000 2.082 49 R HA -0.155 4.649 4.340 0.774 0.000 0.234 49 R C 2.208 178.269 176.300 -0.399 0.000 1.136 49 R CA 1.483 57.233 56.100 -0.583 0.000 0.935 49 R CB -1.398 28.193 30.300 -1.183 0.000 0.842 49 R HN 0.118 nan 8.270 nan 0.000 0.430 50 F N 1.289 121.058 119.950 -0.302 0.000 2.091 50 F HA -0.194 4.797 4.527 0.774 0.000 0.299 50 F C 1.840 177.700 175.800 0.101 0.000 1.103 50 F CA 1.503 59.549 58.000 0.076 0.000 1.228 50 F CB -0.447 38.686 39.000 0.221 0.000 0.984 50 F HN -0.047 nan 8.300 nan 0.000 0.477 51 L N -1.106 120.118 121.223 0.001 0.000 2.079 51 L HA -0.259 4.545 4.340 0.774 0.000 0.210 51 L C 2.710 179.442 176.870 -0.231 0.000 1.081 51 L CA 1.664 56.343 54.840 -0.268 0.000 0.752 51 L CB -1.122 40.630 42.059 -0.511 0.000 0.896 51 L HN 0.226 nan 8.230 nan 0.000 0.433 52 S N 0.029 115.623 115.700 -0.175 0.000 2.355 52 S HA -0.229 4.705 4.470 0.774 0.000 0.222 52 S C 1.999 176.563 174.600 -0.060 0.000 1.031 52 S CA 1.281 59.407 58.200 -0.123 0.000 0.993 52 S CB -0.376 62.737 63.200 -0.145 0.000 0.859 52 S HN 0.420 nan 8.310 nan 0.000 0.453 53 F N 2.147 121.982 119.950 -0.192 0.000 2.091 53 F HA -0.101 4.890 4.527 0.774 0.000 0.299 53 F C 2.138 177.850 175.800 -0.147 0.000 1.103 53 F CA 2.099 60.004 58.000 -0.158 0.000 1.228 53 F CB -0.580 38.338 39.000 -0.138 0.000 0.984 53 F HN 0.148 nan 8.300 nan 0.000 0.477 54 K N 0.088 120.240 120.400 -0.415 0.000 2.026 54 K HA -0.266 4.518 4.320 0.774 0.000 0.208 54 K C 1.994 178.496 176.600 -0.163 0.000 1.048 54 K CA 1.722 57.754 56.287 -0.424 0.000 0.929 54 K CB -0.514 31.902 32.500 -0.139 0.000 0.713 54 K HN 0.454 nan 8.250 nan 0.000 0.439 55 N N 0.939 119.682 118.700 0.072 0.000 2.120 55 N HA -0.229 4.976 4.740 0.774 0.000 0.188 55 N C 1.760 177.294 175.510 0.040 0.000 1.024 55 N CA 1.581 54.709 53.050 0.129 0.000 0.852 55 N CB 0.060 38.666 38.487 0.200 0.000 1.003 55 N HN 0.221 nan 8.380 nan 0.000 0.424 56 E N -0.704 119.469 120.200 -0.045 0.000 2.076 56 E HA -0.135 4.679 4.350 0.774 0.000 0.190 56 E C 1.856 178.414 176.600 -0.070 0.000 0.979 56 E CA 0.566 56.951 56.400 -0.025 0.000 0.807 56 E CB -0.107 29.570 29.700 -0.037 0.000 0.761 56 E HN 0.378 nan 8.360 nan 0.000 0.454 57 L N 1.248 122.298 121.223 -0.288 0.000 1.994 57 L HA -0.191 4.613 4.340 0.774 0.000 0.208 57 L C 2.542 179.336 176.870 -0.127 0.000 1.071 57 L CA 2.515 57.168 54.840 -0.311 0.000 0.745 57 L CB -0.966 40.677 42.059 -0.693 0.000 0.892 57 L HN 0.215 nan 8.230 nan 0.000 0.431 58 S N -0.573 115.075 115.700 -0.087 0.000 2.353 58 S HA -0.277 4.657 4.470 0.774 0.000 0.222 58 S C 2.165 176.887 174.600 0.203 0.000 1.035 58 S CA 1.344 59.589 58.200 0.075 0.000 1.025 58 S CB -0.776 62.526 63.200 0.170 0.000 0.902 58 S HN 0.505 nan 8.310 nan 0.000 0.440 59 R N -0.308 120.394 120.500 0.337 0.000 2.096 59 R HA -0.119 4.685 4.340 0.774 0.000 0.240 59 R C 2.370 178.844 176.300 0.289 0.000 1.139 59 R CA 1.923 58.293 56.100 0.449 0.000 0.952 59 R CB -0.711 29.801 30.300 0.353 0.000 0.854 59 R HN 0.638 nan 8.270 nan 0.000 0.436 60 Y N 1.496 121.840 120.300 0.075 0.000 2.070 60 Y HA -0.239 4.776 4.550 0.774 0.000 0.279 60 Y C 2.132 178.041 175.900 0.016 0.000 1.134 60 Y CA 1.677 59.786 58.100 0.014 0.000 1.113 60 Y CB -0.427 37.973 38.460 -0.101 0.000 0.981 60 Y HN -0.046 nan 8.280 nan 0.000 0.487 61 L N -0.570 120.706 121.223 0.089 0.000 1.997 61 L HA -0.339 4.465 4.340 0.774 0.000 0.216 61 L C 2.342 179.230 176.870 0.029 0.000 1.074 61 L CA 2.140 56.887 54.840 -0.155 0.000 0.763 61 L CB -1.220 40.175 42.059 -1.105 0.000 0.890 61 L HN 0.317 nan 8.230 nan 0.000 0.434 62 T N -1.173 113.460 114.554 0.132 0.000 2.635 62 T HA -0.267 4.548 4.350 0.774 0.000 0.267 62 T C 1.619 176.396 174.700 0.128 0.000 1.040 62 T CA 1.771 63.996 62.100 0.207 0.000 1.156 62 T CB -0.348 68.390 68.868 -0.216 0.000 0.863 62 T HN 0.384 nan 8.240 nan 0.000 0.430 63 D N 0.421 120.870 120.400 0.083 0.000 2.087 63 D HA -0.125 4.979 4.640 0.774 0.000 0.192 63 D C 1.947 178.170 176.300 -0.128 0.000 0.993 63 D CA 1.349 55.358 54.000 0.016 0.000 0.828 63 D CB -0.186 40.648 40.800 0.057 0.000 0.968 63 D HN 0.449 nan 8.370 nan 0.000 0.448 64 H N -1.848 116.956 119.070 -0.444 0.000 2.546 64 H HA 0.096 5.116 4.556 0.773 0.000 0.277 64 H C -0.081 174.726 175.328 -0.868 0.000 1.004 64 H CA 0.498 56.108 56.048 -0.730 0.000 1.231 64 H CB -0.053 29.044 29.762 -1.109 0.000 1.382 64 H HN 0.073 nan 8.280 nan 0.000 0.580 65 F N 1.269 121.267 119.950 0.080 0.000 2.646 65 F HA 0.272 5.263 4.527 0.773 0.000 0.336 65 F C -2.404 173.496 175.800 0.165 0.000 1.437 65 F CA -2.645 55.438 58.000 0.138 0.000 1.142 65 F CB 0.871 39.992 39.000 0.202 0.000 1.530 65 F HN -0.101 nan 8.300 nan 0.000 0.591 66 P HA 0.135 nan 4.420 nan 0.000 0.269 66 P C 0.049 177.404 177.300 0.092 0.000 1.215 66 P CA -0.058 63.111 63.100 0.116 0.000 0.780 66 P CB 1.063 32.798 31.700 0.058 0.000 0.898 67 A N 2.894 125.741 122.820 0.045 0.000 2.520 67 A HA 0.009 4.793 4.320 0.774 0.000 0.235 67 A C 0.385 177.948 177.584 -0.035 0.000 1.065 67 A CA 0.138 52.177 52.037 0.005 0.000 0.764 67 A CB -0.861 18.156 19.000 0.028 0.000 1.002 67 A HN 0.648 nan 8.150 nan 0.000 0.502 68 N N 0.869 119.466 118.700 -0.171 0.000 2.904 68 N HA 0.423 5.627 4.740 0.774 0.000 0.257 68 N C -1.578 173.669 175.510 -0.438 0.000 1.363 68 N CA -0.257 52.473 53.050 -0.534 0.000 0.856 68 N CB 1.332 39.248 38.487 -0.951 0.000 1.166 68 N HN 0.350 nan 8.380 nan 0.000 0.499 69 V N 1.399 121.319 119.914 0.011 0.000 2.531 69 V HA 0.208 4.792 4.120 0.774 0.000 0.301 69 V C -0.243 176.010 176.094 0.264 0.000 1.034 69 V CA -0.973 61.393 62.300 0.111 0.000 0.865 69 V CB 1.780 33.528 31.823 -0.126 0.000 0.995 69 V HN 0.472 nan 8.190 nan 0.000 0.424 70 D N 2.784 123.368 120.400 0.307 0.000 2.411 70 D HA 0.175 5.279 4.640 0.774 0.000 0.251 70 D C 0.850 177.224 176.300 0.123 0.000 1.201 70 D CA -0.619 53.504 54.000 0.205 0.000 0.996 70 D CB 0.873 41.754 40.800 0.134 0.000 1.101 70 D HN 0.415 nan 8.370 nan 0.000 0.504 71 E N -0.994 119.232 120.200 0.044 0.000 2.339 71 E HA -0.200 4.614 4.350 0.774 0.000 0.201 71 E C 0.265 176.655 176.600 -0.350 0.000 1.015 71 E CA 1.277 57.601 56.400 -0.127 0.000 0.841 71 E CB -0.576 28.968 29.700 -0.260 0.000 0.754 71 E HN 0.491 nan 8.360 nan 0.000 0.508 72 Y N -0.871 119.378 120.300 -0.084 0.000 2.658 72 Y HA 0.344 5.360 4.550 0.777 0.000 0.276 72 Y C 1.576 177.508 175.900 0.053 0.000 1.167 72 Y CA 0.017 58.016 58.100 -0.167 0.000 1.230 72 Y CB 0.625 38.941 38.460 -0.239 0.000 1.144 72 Y HN 0.091 nan 8.280 nan 0.000 0.529 73 G N 0.765 109.716 108.800 0.251 0.000 2.196 73 G HA2 -0.353 4.071 3.960 0.774 0.000 0.268 73 G HA3 -0.353 4.071 3.960 0.774 0.000 0.268 73 G C 0.493 175.534 174.900 0.236 0.000 0.975 73 G CA -0.030 45.254 45.100 0.307 0.000 0.648 73 G HN 0.376 nan 8.290 nan 0.000 0.538 74 R N 0.027 120.688 120.500 0.268 0.000 2.442 74 R HA 0.450 5.254 4.340 0.774 0.000 0.291 74 R C 0.391 176.898 176.300 0.345 0.000 1.069 74 R CA 0.201 56.497 56.100 0.326 0.000 1.022 74 R CB 1.749 32.118 30.300 0.116 0.000 0.976 74 R HN 0.530 nan 8.270 nan 0.000 0.443 75 V N 4.471 124.594 119.914 0.349 0.000 2.472 75 V HA 0.524 5.108 4.120 0.774 0.000 0.290 75 V C -0.823 175.438 176.094 0.278 0.000 1.037 75 V CA -0.332 62.092 62.300 0.206 0.000 0.908 75 V CB 0.722 32.588 31.823 0.072 0.000 0.985 75 V HN 0.810 nan 8.190 nan 0.000 0.454 76 Y N 4.093 124.478 120.300 0.141 0.000 3.159 76 Y HA 0.963 5.977 4.550 0.773 0.000 0.299 76 Y C 1.120 177.083 175.900 0.105 0.000 1.666 76 Y CA -0.379 57.799 58.100 0.130 0.000 1.049 76 Y CB 0.159 38.697 38.460 0.129 0.000 1.413 76 Y HN 1.325 nan 8.280 nan 0.000 0.576 77 G N 1.502 110.390 108.800 0.147 0.000 2.660 77 G HA2 -0.491 3.934 3.960 0.774 0.000 0.321 77 G HA3 -0.491 3.934 3.960 0.774 0.000 0.321 77 G C 0.779 175.689 174.900 0.017 0.000 1.246 77 G CA 1.142 46.275 45.100 0.056 0.000 1.000 77 G HN 1.394 nan 8.290 nan 0.000 0.550 78 N N 2.021 120.718 118.700 -0.005 0.000 2.520 78 N HA 0.213 5.418 4.740 0.774 0.000 0.185 78 N C 1.791 177.323 175.510 0.037 0.000 1.068 78 N CA 1.221 54.311 53.050 0.067 0.000 0.911 78 N CB -0.090 38.495 38.487 0.164 0.000 0.961 78 N HN 2.198 nan 8.380 nan 0.000 0.446 79 G N 0.101 108.894 108.800 -0.013 0.000 2.179 79 G HA2 -0.276 4.148 3.960 0.774 0.000 0.260 79 G HA3 -0.276 4.148 3.960 0.774 0.000 0.260 79 G C -0.029 174.873 174.900 0.004 0.000 0.977 79 G CA 0.210 45.315 45.100 0.008 0.000 0.641 79 G HN 0.249 nan 8.290 nan 0.000 0.533 80 V N 1.935 121.846 119.914 -0.005 0.000 2.427 80 V HA 0.394 4.978 4.120 0.774 0.000 0.268 80 V C 1.561 177.614 176.094 -0.067 0.000 1.046 80 V CA 0.579 62.866 62.300 -0.022 0.000 0.970 80 V CB 1.158 33.020 31.823 0.065 0.000 1.001 80 V HN 0.592 nan 8.190 nan 0.000 0.476 81 R N 2.700 123.152 120.500 -0.080 0.000 2.362 81 R HA 0.346 5.150 4.340 0.774 0.000 0.227 81 R C 0.494 176.774 176.300 -0.034 0.000 0.905 81 R CA 0.137 56.212 56.100 -0.042 0.000 1.067 81 R CB 0.715 31.012 30.300 -0.006 0.000 1.078 81 R HN 0.614 nan 8.270 nan 0.000 0.516 82 T N 0.063 114.532 114.554 -0.142 0.000 2.663 82 T HA 0.131 4.945 4.350 0.774 0.000 0.305 82 T C -1.520 172.970 174.700 -0.350 0.000 1.660 82 T CA -0.715 61.293 62.100 -0.153 0.000 0.976 82 T CB 0.812 69.620 68.868 -0.100 0.000 1.705 82 T HN 0.405 nan 8.240 nan 0.000 0.494 83 N N 0.191 118.727 118.700 -0.274 0.000 2.255 83 N HA 0.288 5.492 4.740 0.774 0.000 0.253 83 N C 0.044 175.189 175.510 -0.609 0.000 1.313 83 N CA 0.083 52.891 53.050 -0.404 0.000 0.912 83 N CB -0.105 38.158 38.487 -0.375 0.000 1.145 83 N HN 0.508 nan 8.380 nan 0.000 0.511 84 F N -2.511 117.180 119.950 -0.431 0.000 2.654 84 F HA 0.402 5.394 4.527 0.775 0.000 0.303 84 F C 0.515 176.214 175.800 -0.169 0.000 1.099 84 F CA -0.521 57.340 58.000 -0.233 0.000 1.270 84 F CB -0.273 38.634 39.000 -0.155 0.000 1.024 84 F HN 0.322 nan 8.300 nan 0.000 0.548 85 F N -0.146 119.891 119.950 0.145 0.000 2.771 85 F HA 0.021 5.013 4.527 0.774 0.000 0.299 85 F C 2.278 178.048 175.800 -0.052 0.000 1.177 85 F CA 0.278 58.295 58.000 0.028 0.000 1.450 85 F CB -0.370 38.686 39.000 0.093 0.000 1.114 85 F HN 0.139 nan 8.300 nan 0.000 0.587 86 G N 1.065 109.961 108.800 0.161 0.000 2.471 86 G HA2 -0.227 4.197 3.960 0.774 0.000 0.219 86 G HA3 -0.227 4.197 3.960 0.774 0.000 0.219 86 G C 1.630 176.665 174.900 0.225 0.000 1.125 86 G CA 0.651 45.859 45.100 0.180 0.000 0.775 86 G HN 0.485 nan 8.290 nan 0.000 0.548 87 M N -0.373 119.314 119.600 0.146 0.000 2.492 87 M HA 0.236 5.180 4.480 0.774 0.000 0.262 87 M C 1.390 177.699 176.300 0.014 0.000 1.090 87 M CA 0.550 55.941 55.300 0.151 0.000 1.110 87 M CB -0.053 32.636 32.600 0.148 0.000 1.407 87 M HN -0.103 nan 8.290 nan 0.000 0.470 88 R N 1.956 122.289 120.500 -0.279 0.000 4.218 88 R HA 0.103 4.907 4.340 0.774 0.000 0.208 88 R C -0.638 175.281 176.300 -0.636 0.000 2.100 88 R CA 0.212 55.798 56.100 -0.855 0.000 1.727 88 R CB -0.931 28.679 30.300 -1.150 0.000 1.186 88 R HN 0.512 nan 8.270 nan 0.000 0.645 89 H N 0.624 119.727 119.070 0.055 0.000 2.524 89 H HA 0.234 5.254 4.556 0.774 0.000 0.353 89 H C 0.474 176.000 175.328 0.330 0.000 1.136 89 H CA -0.796 55.380 56.048 0.213 0.000 1.193 89 H CB 1.742 31.605 29.762 0.168 0.000 1.558 89 H HN -0.061 nan 8.280 nan 0.000 0.515 90 M N 2.886 122.760 119.600 0.457 0.000 3.237 90 M HA 0.047 4.991 4.480 0.774 0.000 0.266 90 M C -0.158 176.410 176.300 0.447 0.000 1.456 90 M CA -0.399 55.156 55.300 0.425 0.000 1.593 90 M CB -1.147 31.651 32.600 0.330 0.000 1.129 90 M HN 0.313 nan 8.290 nan 0.000 0.547 91 N N 2.252 121.165 118.700 0.354 0.000 2.301 91 N HA 0.072 5.276 4.740 0.774 0.000 0.267 91 N C 1.333 176.901 175.510 0.096 0.000 1.304 91 N CA 1.110 54.290 53.050 0.216 0.000 0.851 91 N CB 0.469 39.073 38.487 0.196 0.000 1.070 91 N HN 0.914 nan 8.380 nan 0.000 0.483 92 G N 0.994 109.771 108.800 -0.037 0.000 2.284 92 G HA2 -0.204 4.221 3.960 0.774 0.000 0.201 92 G HA3 -0.204 4.221 3.960 0.774 0.000 0.201 92 G C -0.414 174.166 174.900 -0.534 0.000 0.998 92 G CA -0.607 44.307 45.100 -0.309 0.000 0.651 92 G HN 0.426 nan 8.290 nan 0.000 0.489 93 F N 3.574 123.544 119.950 0.033 0.000 2.402 93 F HA 0.546 5.537 4.527 0.773 0.000 0.355 93 F C -1.649 174.212 175.800 0.102 0.000 1.123 93 F CA -2.270 55.769 58.000 0.065 0.000 1.021 93 F CB 2.290 41.347 39.000 0.095 0.000 1.160 93 F HN -0.121 nan 8.300 nan 0.000 0.451 94 P HA 0.196 nan 4.420 nan 0.000 0.276 94 P C -0.574 176.855 177.300 0.215 0.000 1.261 94 P CA -0.588 62.624 63.100 0.187 0.000 0.800 94 P CB 1.157 32.954 31.700 0.162 0.000 1.066 95 M N 0.252 119.932 119.600 0.133 0.000 2.241 95 M HA 0.442 5.386 4.480 0.774 0.000 0.335 95 M C -0.522 175.823 176.300 0.074 0.000 1.122 95 M CA 0.203 55.569 55.300 0.111 0.000 1.164 95 M CB 0.081 32.718 32.600 0.062 0.000 1.459 95 M HN 0.041 nan 8.290 nan 0.000 0.461 96 I N 2.630 123.235 120.570 0.059 0.000 2.465 96 I HA 0.583 5.217 4.170 0.774 0.000 0.291 96 I C -2.345 173.799 176.117 0.044 0.000 1.014 96 I CA -2.189 59.111 61.300 -0.000 0.000 1.093 96 I CB 1.496 39.470 38.000 -0.043 0.000 1.267 96 I HN 0.626 nan 8.210 nan 0.000 0.431 97 P HA 0.532 nan 4.420 nan 0.000 0.304 97 P C -0.781 176.449 177.300 -0.118 0.000 1.310 97 P CA -0.412 62.657 63.100 -0.051 0.000 0.796 97 P CB 1.797 33.520 31.700 0.037 0.000 1.297 98 A N -0.431 122.242 122.820 -0.245 0.000 2.240 98 A HA 0.532 5.316 4.320 0.774 0.000 0.292 98 A C 0.315 177.757 177.584 -0.237 0.000 1.121 98 A CA -0.221 51.602 52.037 -0.357 0.000 0.851 98 A CB -0.504 17.959 19.000 -0.895 0.000 1.167 98 A HN 0.505 nan 8.150 nan 0.000 0.503 99 T N -0.880 113.583 114.554 -0.151 0.000 2.922 99 T HA 0.418 5.232 4.350 0.774 0.000 0.285 99 T C -0.969 173.773 174.700 0.070 0.000 1.005 99 T CA -0.106 61.975 62.100 -0.032 0.000 1.061 99 T CB 0.054 68.893 68.868 -0.049 0.000 1.007 99 T HN 0.376 nan 8.240 nan 0.000 0.502 100 W N 5.309 126.615 121.300 0.009 0.000 2.315 100 W HA 0.387 5.511 4.660 0.773 0.000 0.316 100 W C -1.831 174.702 176.519 0.024 0.000 1.211 100 W CA -1.911 55.476 57.345 0.070 0.000 1.201 100 W CB 0.644 30.158 29.460 0.089 0.000 1.184 100 W HN 0.476 nan 8.180 nan 0.000 0.544 101 P HA 0.075 nan 4.420 nan 0.000 0.276 101 P C -0.768 176.600 177.300 0.112 0.000 1.230 101 P CA -0.366 62.787 63.100 0.087 0.000 0.776 101 P CB 1.284 32.987 31.700 0.006 0.000 0.888 102 L N 3.409 124.665 121.223 0.056 0.000 2.462 102 L HA 0.172 4.977 4.340 0.774 0.000 0.272 102 L C 1.652 178.536 176.870 0.024 0.000 1.166 102 L CA 0.348 55.220 54.840 0.054 0.000 0.880 102 L CB 0.313 42.391 42.059 0.033 0.000 1.142 102 L HN 0.526 nan 8.230 nan 0.000 0.473 103 A N 2.996 125.827 122.820 0.018 0.000 2.014 103 A HA 0.052 4.836 4.320 0.774 0.000 0.218 103 A C 1.056 178.637 177.584 -0.006 0.000 1.163 103 A CA 1.185 53.225 52.037 0.005 0.000 0.652 103 A CB -0.138 18.854 19.000 -0.012 0.000 0.808 103 A HN 0.615 nan 8.150 nan 0.000 0.449 104 S N -0.592 115.101 115.700 -0.011 0.000 2.614 104 S HA 0.392 5.326 4.470 0.774 0.000 0.275 104 S C -0.233 174.359 174.600 -0.012 0.000 1.161 104 S CA -0.356 57.837 58.200 -0.010 0.000 0.969 104 S CB 0.808 64.000 63.200 -0.014 0.000 1.059 104 S HN 0.465 nan 8.310 nan 0.000 0.482 105 N N 5.425 124.119 118.700 -0.009 0.000 2.235 105 N HA 0.128 5.332 4.740 0.774 0.000 0.209 105 N C 1.177 176.700 175.510 0.022 0.000 1.122 105 N CA -0.101 52.936 53.050 -0.021 0.000 0.845 105 N CB -0.375 38.081 38.487 -0.052 0.000 1.004 105 N HN 0.586 nan 8.380 nan 0.000 0.499 106 L N 0.403 121.646 121.223 0.032 0.000 1.989 106 L HA -0.143 4.661 4.340 0.774 0.000 0.211 106 L C 2.607 179.512 176.870 0.058 0.000 1.071 106 L CA 1.646 56.520 54.840 0.058 0.000 0.749 106 L CB -0.401 41.684 42.059 0.043 0.000 0.890 106 L HN 0.242 nan 8.230 nan 0.000 0.431 107 K N 0.699 121.114 120.400 0.026 0.000 2.097 107 K HA -0.224 4.560 4.320 0.774 0.000 0.205 107 K C 2.254 178.884 176.600 0.049 0.000 1.050 107 K CA 1.341 57.641 56.287 0.022 0.000 0.938 107 K CB -0.007 32.480 32.500 -0.022 0.000 0.718 107 K HN 0.096 nan 8.250 nan 0.000 0.442 108 K N 0.755 121.178 120.400 0.040 0.000 2.032 108 K HA -0.192 4.592 4.320 0.774 0.000 0.209 108 K C 2.172 178.888 176.600 0.193 0.000 1.048 108 K CA 1.518 57.837 56.287 0.053 0.000 0.927 108 K CB -0.039 32.409 32.500 -0.086 0.000 0.712 108 K HN 0.114 nan 8.250 nan 0.000 0.441 109 R N -0.207 120.428 120.500 0.225 0.000 2.075 109 R HA -0.088 4.717 4.340 0.774 0.000 0.232 109 R C 2.417 178.857 176.300 0.233 0.000 1.126 109 R CA 1.267 57.582 56.100 0.357 0.000 0.963 109 R CB -0.300 30.175 30.300 0.292 0.000 0.858 109 R HN 0.300 nan 8.270 nan 0.000 0.435 110 A N 1.389 124.302 122.820 0.155 0.000 1.877 110 A HA -0.176 4.608 4.320 0.774 0.000 0.216 110 A C 1.459 179.102 177.584 0.097 0.000 1.186 110 A CA 1.804 53.905 52.037 0.106 0.000 0.620 110 A CB -0.411 18.632 19.000 0.072 0.000 0.822 110 A HN 0.183 nan 8.150 nan 0.000 0.443 111 D N -0.006 120.456 120.400 0.103 0.000 2.309 111 D HA 0.043 5.148 4.640 0.774 0.000 0.212 111 D C 1.607 177.975 176.300 0.113 0.000 0.968 111 D CA 1.184 55.239 54.000 0.092 0.000 0.882 111 D CB -0.173 40.678 40.800 0.085 0.000 0.918 111 D HN 0.454 nan 8.370 nan 0.000 0.503 112 A N -0.077 122.838 122.820 0.158 0.000 2.308 112 A HA 0.027 4.812 4.320 0.774 0.000 0.217 112 A C 0.346 177.971 177.584 0.069 0.000 1.216 112 A CA -0.050 52.071 52.037 0.140 0.000 0.864 112 A CB 0.169 19.304 19.000 0.226 0.000 0.902 112 A HN -0.004 nan 8.150 nan 0.000 0.499 113 D N -0.504 119.939 120.400 0.072 0.000 2.705 113 D HA -0.126 4.979 4.640 0.774 0.000 0.240 113 D C -0.771 175.547 176.300 0.030 0.000 1.137 113 D CA 0.822 54.848 54.000 0.043 0.000 0.677 113 D CB -1.005 39.810 40.800 0.026 0.000 1.049 113 D HN 0.442 nan 8.370 nan 0.000 0.427 114 L N 0.053 121.314 121.223 0.063 0.000 2.346 114 L HA 0.696 5.500 4.340 0.774 0.000 0.274 114 L C 0.934 177.881 176.870 0.128 0.000 1.007 114 L CA -0.874 54.013 54.840 0.078 0.000 0.818 114 L CB 1.732 43.844 42.059 0.088 0.000 1.284 114 L HN 0.065 nan 8.230 nan 0.000 0.424 115 A N 0.747 123.651 122.820 0.140 0.000 2.466 115 A HA 0.194 4.978 4.320 0.774 0.000 0.238 115 A C 0.291 177.978 177.584 0.172 0.000 1.074 115 A CA -0.034 52.071 52.037 0.113 0.000 0.774 115 A CB 0.047 19.087 19.000 0.067 0.000 1.015 115 A HN 0.863 nan 8.150 nan 0.000 0.498 116 D N -0.112 120.254 120.400 -0.057 0.000 2.388 116 D HA 0.427 5.531 4.640 0.774 0.000 0.221 116 D C 0.325 176.097 176.300 -0.881 0.000 1.133 116 D CA 0.550 54.459 54.000 -0.152 0.000 0.831 116 D CB -0.060 40.724 40.800 -0.027 0.000 0.962 116 D HN 0.862 nan 8.370 nan 0.000 0.502 117 G N -0.533 107.482 108.800 -1.308 0.000 2.356 117 G HA2 0.407 4.831 3.960 0.774 0.000 0.294 117 G HA3 0.407 4.831 3.960 0.774 0.000 0.294 117 G C -3.231 170.983 174.900 -1.142 0.000 1.423 117 G CA -1.174 42.945 45.100 -1.635 0.000 0.806 117 G HN -0.171 nan 8.290 nan 0.000 0.527 118 P HA 0.151 nan 4.420 nan 0.000 0.264 118 P C 1.070 178.360 177.300 -0.017 0.000 1.193 118 P CA -0.150 62.878 63.100 -0.121 0.000 0.763 118 P CB 1.534 33.246 31.700 0.019 0.000 0.810 119 V N 2.658 122.681 119.914 0.181 0.000 2.788 119 V HA -0.010 4.574 4.120 0.774 0.000 0.251 119 V C 0.563 176.657 176.094 -0.000 0.000 1.068 119 V CA 2.022 64.335 62.300 0.022 0.000 1.090 119 V CB -0.244 31.546 31.823 -0.055 0.000 0.710 119 V HN 0.677 nan 8.190 nan 0.000 0.467 120 S N -1.322 114.399 115.700 0.036 0.000 2.599 120 S HA 0.480 5.414 4.470 0.774 0.000 0.287 120 S C 0.451 175.052 174.600 0.003 0.000 1.105 120 S CA 0.096 58.295 58.200 -0.001 0.000 0.899 120 S CB 1.662 64.853 63.200 -0.015 0.000 1.100 120 S HN 0.211 nan 8.310 nan 0.000 0.482 121 E N 1.393 121.583 120.200 -0.016 0.000 2.209 121 E HA -0.165 4.650 4.350 0.774 0.000 0.196 121 E C 1.923 178.511 176.600 -0.019 0.000 0.993 121 E CA 1.594 57.985 56.400 -0.016 0.000 0.819 121 E CB -0.162 29.524 29.700 -0.024 0.000 0.745 121 E HN 0.687 nan 8.360 nan 0.000 0.477 122 R N 0.156 120.634 120.500 -0.037 0.000 2.070 122 R HA -0.162 4.642 4.340 0.774 0.000 0.233 122 R C 1.410 177.673 176.300 -0.062 0.000 1.137 122 R CA 1.996 58.057 56.100 -0.063 0.000 0.945 122 R CB -0.331 29.915 30.300 -0.090 0.000 0.845 122 R HN 0.172 nan 8.270 nan 0.000 0.430 123 D N 0.250 120.628 120.400 -0.036 0.000 2.116 123 D HA -0.200 4.904 4.640 0.774 0.000 0.193 123 D C 1.577 177.890 176.300 0.022 0.000 0.998 123 D CA 1.495 55.459 54.000 -0.061 0.000 0.836 123 D CB -0.674 40.199 40.800 0.121 0.000 0.951 123 D HN 0.310 nan 8.370 nan 0.000 0.449 124 N N 0.082 118.844 118.700 0.103 0.000 2.149 124 N HA -0.127 5.077 4.740 0.774 0.000 0.188 124 N C 1.676 177.249 175.510 0.105 0.000 1.019 124 N CA 0.897 54.035 53.050 0.147 0.000 0.857 124 N CB -0.216 38.310 38.487 0.065 0.000 0.997 124 N HN 0.178 nan 8.380 nan 0.000 0.426 125 L N -0.316 120.924 121.223 0.028 0.000 2.072 125 L HA -0.054 4.750 4.340 0.774 0.000 0.205 125 L C 2.289 179.152 176.870 -0.012 0.000 1.079 125 L CA 0.567 55.412 54.840 0.008 0.000 0.752 125 L CB -0.468 41.579 42.059 -0.021 0.000 0.906 125 L HN 0.213 nan 8.230 nan 0.000 0.436 126 L N -0.930 120.243 121.223 -0.083 0.000 1.989 126 L HA -0.261 4.543 4.340 0.774 0.000 0.211 126 L C 2.606 179.413 176.870 -0.105 0.000 1.071 126 L CA 1.724 56.468 54.840 -0.160 0.000 0.749 126 L CB -0.622 41.265 42.059 -0.286 0.000 0.890 126 L HN 0.126 nan 8.230 nan 0.000 0.431 127 F N -0.113 119.844 119.950 0.011 0.000 2.069 127 F HA -0.256 4.739 4.527 0.782 0.000 0.298 127 F C 2.838 178.658 175.800 0.035 0.000 1.113 127 F CA 1.194 59.215 58.000 0.036 0.000 1.214 127 F CB -0.289 38.737 39.000 0.043 0.000 0.978 127 F HN -0.081 nan 8.300 nan 0.000 0.474 128 R N 0.043 120.677 120.500 0.223 0.000 2.127 128 R HA -0.162 4.643 4.340 0.774 0.000 0.238 128 R C 2.355 178.702 176.300 0.079 0.000 1.134 128 R CA 1.113 57.283 56.100 0.117 0.000 0.975 128 R CB -0.617 29.730 30.300 0.079 0.000 0.865 128 R HN 0.304 nan 8.270 nan 0.000 0.447 129 A N 0.971 123.818 122.820 0.044 0.000 1.898 129 A HA -0.067 4.717 4.320 0.774 0.000 0.216 129 A C 2.357 179.951 177.584 0.016 0.000 1.181 129 A CA 1.444 53.482 52.037 0.000 0.000 0.620 129 A CB -0.648 18.310 19.000 -0.069 0.000 0.819 129 A HN 0.382 nan 8.150 nan 0.000 0.442 130 A N -0.300 122.546 122.820 0.042 0.000 1.917 130 A HA -0.106 4.678 4.320 0.774 0.000 0.219 130 A C 2.238 180.029 177.584 0.346 0.000 1.182 130 A CA 2.107 54.280 52.037 0.226 0.000 0.633 130 A CB -1.072 18.165 19.000 0.395 0.000 0.819 130 A HN 0.445 nan 8.150 nan 0.000 0.448 131 V N -0.018 120.036 119.914 0.232 0.000 2.295 131 V HA -0.286 4.299 4.120 0.774 0.000 0.246 131 V C 2.647 178.872 176.094 0.220 0.000 1.049 131 V CA 2.251 64.657 62.300 0.176 0.000 1.024 131 V CB -0.874 30.926 31.823 -0.039 0.000 0.648 131 V HN 0.529 nan 8.190 nan 0.000 0.447 132 R N -0.266 120.322 120.500 0.148 0.000 2.080 132 R HA -0.115 4.689 4.340 0.774 0.000 0.236 132 R C 2.349 178.781 176.300 0.220 0.000 1.137 132 R CA 1.550 57.741 56.100 0.151 0.000 0.943 132 R CB -0.573 29.784 30.300 0.096 0.000 0.846 132 R HN 0.413 nan 8.270 nan 0.000 0.431 133 L N 0.240 121.604 121.223 0.235 0.000 2.046 133 L HA -0.195 4.609 4.340 0.774 0.000 0.208 133 L C 2.631 179.751 176.870 0.416 0.000 1.077 133 L CA 1.447 56.487 54.840 0.333 0.000 0.747 133 L CB -0.335 41.908 42.059 0.308 0.000 0.896 133 L HN 0.279 nan 8.230 nan 0.000 0.432 134 M N -1.481 118.375 119.600 0.427 0.000 2.200 134 M HA -0.132 4.812 4.480 0.774 0.000 0.265 134 M C 1.178 177.512 176.300 0.058 0.000 1.066 134 M CA 1.688 57.148 55.300 0.265 0.000 1.127 134 M CB -0.018 32.743 32.600 0.268 0.000 1.379 134 M HN 0.081 nan 8.290 nan 0.000 0.420 135 F N -0.304 119.686 119.950 0.067 0.000 2.639 135 F HA 0.136 5.126 4.527 0.772 0.000 0.300 135 F C 2.023 177.902 175.800 0.131 0.000 1.109 135 F CA -0.196 57.833 58.000 0.047 0.000 1.335 135 F CB -0.604 38.322 39.000 -0.124 0.000 1.014 135 F HN 0.099 nan 8.300 nan 0.000 0.537 136 S N -1.336 114.501 115.700 0.228 0.000 2.324 136 S HA 0.010 4.944 4.470 0.774 0.000 0.210 136 S C 0.708 175.357 174.600 0.082 0.000 1.027 136 S CA 0.526 58.829 58.200 0.171 0.000 0.945 136 S CB -0.185 63.109 63.200 0.157 0.000 0.908 136 S HN 0.179 nan 8.310 nan 0.000 0.496 137 D N 2.278 122.710 120.400 0.054 0.000 2.772 137 D HA 0.388 5.492 4.640 0.774 0.000 0.273 137 D C -0.741 175.547 176.300 -0.020 0.000 1.233 137 D CA -0.041 53.964 54.000 0.009 0.000 0.984 137 D CB 0.321 41.128 40.800 0.012 0.000 1.000 137 D HN 0.346 nan 8.370 nan 0.000 0.514 138 L N 0.853 122.053 121.223 -0.039 0.000 2.397 138 L HA 0.168 4.972 4.340 0.774 0.000 0.271 138 L C 0.940 177.771 176.870 -0.064 0.000 1.148 138 L CA -0.064 54.737 54.840 -0.065 0.000 0.825 138 L CB 0.848 42.855 42.059 -0.087 0.000 1.117 138 L HN -0.088 nan 8.230 nan 0.000 0.456 139 E N 3.415 123.581 120.200 -0.058 0.000 2.113 139 E HA 0.326 5.140 4.350 0.774 0.000 0.273 139 E C -2.290 174.288 176.600 -0.036 0.000 0.924 139 E CA -1.937 54.436 56.400 -0.046 0.000 0.764 139 E CB 1.458 31.133 29.700 -0.042 0.000 1.104 139 E HN 0.294 nan 8.360 nan 0.000 0.406 140 P HA -0.053 nan 4.420 nan 0.000 0.264 140 P C -0.416 176.887 177.300 0.006 0.000 1.183 140 P CA 0.086 63.186 63.100 -0.001 0.000 0.763 140 P CB 0.526 32.229 31.700 0.005 0.000 0.807 141 V N 0.738 120.665 119.914 0.022 0.000 3.167 141 V HA 0.789 5.373 4.120 0.774 0.000 0.310 141 V C -2.677 173.442 176.094 0.041 0.000 1.207 141 V CA -2.840 59.472 62.300 0.019 0.000 1.059 141 V CB 1.845 33.672 31.823 0.006 0.000 1.079 141 V HN 0.302 nan 8.190 nan 0.000 0.446 142 P HA 0.312 nan 4.420 nan 0.000 0.282 142 P C -0.561 176.783 177.300 0.074 0.000 1.249 142 P CA -0.385 62.748 63.100 0.054 0.000 0.806 142 P CB 1.478 33.204 31.700 0.042 0.000 0.984 143 L N 3.391 124.666 121.223 0.087 0.000 2.515 143 L HA 0.072 4.877 4.340 0.774 0.000 0.281 143 L C 0.627 177.578 176.870 0.135 0.000 1.131 143 L CA -0.187 54.717 54.840 0.106 0.000 0.905 143 L CB -0.072 42.040 42.059 0.087 0.000 1.246 143 L HN 0.229 nan 8.230 nan 0.000 0.463 144 K N 6.184 126.671 120.400 0.144 0.000 2.270 144 K HA 0.458 5.242 4.320 0.774 0.000 0.276 144 K C -0.438 176.268 176.600 0.176 0.000 1.023 144 K CA -0.249 56.139 56.287 0.169 0.000 0.955 144 K CB 1.789 34.417 32.500 0.212 0.000 0.975 144 K HN 0.549 nan 8.250 nan 0.000 0.471 145 I N 1.955 122.621 120.570 0.160 0.000 2.498 145 I HA 0.247 4.881 4.170 0.774 0.000 0.290 145 I C 0.126 176.271 176.117 0.046 0.000 1.032 145 I CA -1.266 60.102 61.300 0.113 0.000 1.073 145 I CB 1.968 40.026 38.000 0.098 0.000 1.251 145 I HN 0.336 nan 8.210 nan 0.000 0.426 146 R N 5.668 126.168 120.500 0.001 0.000 2.401 146 R HA 0.145 4.949 4.340 0.774 0.000 0.299 146 R C -0.494 175.772 176.300 -0.056 0.000 1.064 146 R CA 0.065 56.147 56.100 -0.031 0.000 1.000 146 R CB 0.317 30.597 30.300 -0.034 0.000 0.973 146 R HN 0.419 nan 8.270 nan 0.000 0.438 147 K N 3.108 123.484 120.400 -0.040 0.000 2.448 147 K HA 0.172 4.956 4.320 0.774 0.000 0.278 147 K C 0.772 177.331 176.600 -0.068 0.000 1.009 147 K CA 0.970 57.233 56.287 -0.041 0.000 0.995 147 K CB 0.541 33.037 32.500 -0.008 0.000 0.917 147 K HN 0.917 nan 8.250 nan 0.000 0.481 148 G N 1.652 110.406 108.800 -0.077 0.000 2.155 148 G HA2 -0.311 4.113 3.960 0.774 0.000 0.257 148 G HA3 -0.311 4.113 3.960 0.774 0.000 0.257 148 G C 0.125 174.969 174.900 -0.094 0.000 0.983 148 G CA 0.574 45.626 45.100 -0.081 0.000 0.676 148 G HN 0.690 nan 8.290 nan 0.000 0.528 149 S N -0.788 114.842 115.700 -0.117 0.000 2.617 149 S HA 0.715 5.649 4.470 0.774 0.000 0.269 149 S C 0.364 174.877 174.600 -0.145 0.000 1.292 149 S CA 0.455 58.581 58.200 -0.123 0.000 1.010 149 S CB 2.041 65.152 63.200 -0.147 0.000 0.944 149 S HN 1.246 nan 8.310 nan 0.000 0.536 150 S N 0.349 115.984 115.700 -0.109 0.000 2.554 150 S HA 0.369 5.303 4.470 0.774 0.000 0.278 150 S C 1.342 175.819 174.600 -0.205 0.000 1.242 150 S CA -0.157 57.977 58.200 -0.110 0.000 1.051 150 S CB 0.613 63.806 63.200 -0.013 0.000 0.986 150 S HN 0.975 nan 8.310 nan 0.000 0.502 151 T N 1.612 116.027 114.554 -0.231 0.000 3.160 151 T HA 0.104 4.918 4.350 0.774 0.000 0.257 151 T C 1.270 175.787 174.700 -0.305 0.000 1.147 151 T CA 0.438 62.407 62.100 -0.218 0.000 1.064 151 T CB -1.489 67.338 68.868 -0.068 0.000 0.949 151 T HN 0.790 nan 8.240 nan 0.000 0.526 152 C N 0.302 119.251 119.300 -0.585 0.000 0.168 152 C HA -0.244 4.681 4.460 0.774 0.000 0.017 152 C C 1.133 175.205 174.990 -1.529 0.000 0.171 152 C CA -0.809 57.457 59.018 -1.252 0.000 0.499 152 C CB -1.643 25.791 27.740 -0.509 0.000 3.212 152 C HN 0.741 nan 8.230 nan 0.000 1.118 153 I N 3.809 123.747 120.570 -1.053 0.000 2.741 153 I HA 0.042 4.676 4.170 0.774 0.000 0.288 153 I C -0.746 175.122 176.117 -0.415 0.000 1.192 153 I CA 0.018 60.962 61.300 -0.593 0.000 1.426 153 I CB 0.428 38.229 38.000 -0.331 0.000 1.367 153 I HN 0.593 nan 8.210 nan 0.000 0.563 154 P HA -0.020 nan 4.420 nan 0.000 0.252 154 P C 0.895 178.041 177.300 -0.258 0.000 1.211 154 P CA 0.803 63.667 63.100 -0.393 0.000 0.824 154 P CB 0.306 31.719 31.700 -0.478 0.000 1.077 155 Y N -0.823 119.454 120.300 -0.038 0.000 2.314 155 Y HA 0.220 5.234 4.550 0.774 0.000 0.294 155 Y C 0.935 176.936 175.900 0.168 0.000 1.119 155 Y CA -0.226 57.910 58.100 0.061 0.000 1.179 155 Y CB -1.263 37.194 38.460 -0.004 0.000 1.025 155 Y HN -0.273 nan 8.280 nan 0.000 0.541 156 F N 0.272 120.271 119.950 0.081 0.000 3.039 156 F HA -0.245 4.746 4.527 0.774 0.000 0.287 156 F C 0.670 176.479 175.800 0.015 0.000 0.956 156 F CA 0.453 58.453 58.000 0.001 0.000 0.971 156 F CB -1.686 37.292 39.000 -0.037 0.000 0.943 156 F HN 0.000 nan 8.300 nan 0.000 0.766 157 S N -0.278 115.476 115.700 0.089 0.000 2.654 157 S HA 0.647 5.581 4.470 0.774 0.000 0.283 157 S C 0.872 175.454 174.600 -0.030 0.000 1.180 157 S CA -0.072 58.150 58.200 0.037 0.000 1.021 157 S CB 1.274 64.482 63.200 0.014 0.000 1.018 157 S HN 0.326 nan 8.310 nan 0.000 0.532 158 N N 0.940 119.617 118.700 -0.038 0.000 2.193 158 N HA 0.167 5.372 4.740 0.774 0.000 0.210 158 N C -1.183 174.281 175.510 -0.076 0.000 1.215 158 N CA -0.236 52.775 53.050 -0.066 0.000 0.901 158 N CB 0.291 38.752 38.487 -0.044 0.000 1.060 158 N HN 0.673 nan 8.380 nan 0.000 0.508 159 D N 0.821 121.181 120.400 -0.066 0.000 2.363 159 D HA -0.019 5.085 4.640 0.774 0.000 0.263 159 D C 1.277 177.520 176.300 -0.094 0.000 1.258 159 D CA -0.111 53.846 54.000 -0.071 0.000 0.907 159 D CB 0.604 41.367 40.800 -0.062 0.000 1.107 159 D HN -0.069 nan 8.370 nan 0.000 0.495 160 M N 4.158 123.692 119.600 -0.109 0.000 2.144 160 M HA -0.035 4.910 4.480 0.774 0.000 0.260 160 M C 1.851 178.059 176.300 -0.153 0.000 1.067 160 M CA 2.183 57.392 55.300 -0.151 0.000 1.095 160 M CB -0.760 31.721 32.600 -0.199 0.000 1.365 160 M HN 0.502 nan 8.290 nan 0.000 0.406 161 G N -1.487 107.237 108.800 -0.127 0.000 2.459 161 G HA2 -0.242 4.182 3.960 0.774 0.000 0.217 161 G HA3 -0.242 4.182 3.960 0.774 0.000 0.217 161 G C 1.452 176.307 174.900 -0.076 0.000 1.183 161 G CA 1.527 46.564 45.100 -0.104 0.000 0.776 161 G HN 0.502 nan 8.290 nan 0.000 0.552 162 T N 0.955 115.466 114.554 -0.073 0.000 2.708 162 T HA -0.060 4.754 4.350 0.774 0.000 0.266 162 T C 2.366 177.054 174.700 -0.021 0.000 1.037 162 T CA 1.430 63.493 62.100 -0.062 0.000 1.146 162 T CB -0.153 68.668 68.868 -0.079 0.000 0.865 162 T HN 0.306 nan 8.240 nan 0.000 0.435 163 K N 0.916 121.294 120.400 -0.037 0.000 2.032 163 K HA -0.052 4.732 4.320 0.774 0.000 0.209 163 K C 2.250 178.934 176.600 0.140 0.000 1.048 163 K CA 1.115 57.408 56.287 0.010 0.000 0.927 163 K CB -0.415 31.983 32.500 -0.170 0.000 0.712 163 K HN 0.325 nan 8.250 nan 0.000 0.441 164 I N 1.803 122.399 120.570 0.044 0.000 2.179 164 I HA -0.233 4.401 4.170 0.774 0.000 0.242 164 I C 2.158 178.310 176.117 0.058 0.000 1.088 164 I CA 1.583 62.919 61.300 0.061 0.000 1.357 164 I CB -1.079 36.918 38.000 -0.006 0.000 1.051 164 I HN 0.273 nan 8.210 nan 0.000 0.409 165 E N 1.092 121.307 120.200 0.026 0.000 2.058 165 E HA -0.203 4.611 4.350 0.774 0.000 0.194 165 E C 2.383 179.002 176.600 0.032 0.000 0.997 165 E CA 1.152 57.560 56.400 0.013 0.000 0.801 165 E CB -0.136 29.555 29.700 -0.015 0.000 0.746 165 E HN 0.438 nan 8.360 nan 0.000 0.450 166 I N 1.151 121.765 120.570 0.074 0.000 2.151 166 I HA -0.343 4.291 4.170 0.774 0.000 0.243 166 I C 2.538 178.677 176.117 0.037 0.000 1.080 166 I CA 1.205 62.570 61.300 0.108 0.000 1.339 166 I CB -0.300 37.852 38.000 0.253 0.000 1.039 166 I HN 0.122 nan 8.210 nan 0.000 0.409 167 A N 0.369 123.228 122.820 0.066 0.000 1.845 167 A HA -0.233 4.551 4.320 0.774 0.000 0.215 167 A C 2.174 179.700 177.584 -0.098 0.000 1.195 167 A CA 1.733 53.715 52.037 -0.091 0.000 0.616 167 A CB -0.759 18.257 19.000 0.027 0.000 0.832 167 A HN 0.442 nan 8.150 nan 0.000 0.443 168 E N -0.851 119.330 120.200 -0.031 0.000 2.114 168 E HA -0.305 4.509 4.350 0.774 0.000 0.199 168 E C 2.265 178.838 176.600 -0.046 0.000 1.008 168 E CA 1.599 57.978 56.400 -0.033 0.000 0.810 168 E CB -0.223 29.478 29.700 0.001 0.000 0.739 168 E HN 0.476 nan 8.360 nan 0.000 0.456 169 R N 1.202 121.684 120.500 -0.030 0.000 2.080 169 R HA -0.144 4.660 4.340 0.774 0.000 0.236 169 R C 2.124 178.396 176.300 -0.048 0.000 1.137 169 R CA 1.895 57.984 56.100 -0.018 0.000 0.943 169 R CB -0.866 29.438 30.300 0.007 0.000 0.846 169 R HN 0.163 nan 8.270 nan 0.000 0.431 170 A N 0.807 123.573 122.820 -0.090 0.000 1.865 170 A HA -0.144 4.641 4.320 0.774 0.000 0.217 170 A C 2.321 179.798 177.584 -0.177 0.000 1.191 170 A CA 1.791 53.746 52.037 -0.137 0.000 0.623 170 A CB -0.829 18.042 19.000 -0.215 0.000 0.826 170 A HN 0.376 nan 8.150 nan 0.000 0.444 171 L N -1.063 120.000 121.223 -0.267 0.000 2.127 171 L HA -0.229 4.575 4.340 0.774 0.000 0.211 171 L C 2.548 179.407 176.870 -0.019 0.000 1.089 171 L CA 1.872 56.486 54.840 -0.377 0.000 0.757 171 L CB -0.729 41.064 42.059 -0.444 0.000 0.899 171 L HN 0.524 nan 8.230 nan 0.000 0.434 172 E N -0.167 120.013 120.200 -0.032 0.000 2.107 172 E HA -0.120 4.694 4.350 0.774 0.000 0.191 172 E C 1.625 178.184 176.600 -0.069 0.000 0.982 172 E CA 0.721 57.116 56.400 -0.008 0.000 0.809 172 E CB 0.295 29.989 29.700 -0.009 0.000 0.756 172 E HN 0.218 nan 8.360 nan 0.000 0.459 173 K N -0.233 120.097 120.400 -0.118 0.000 2.358 173 K HA 0.248 5.033 4.320 0.774 0.000 0.197 173 K C 1.423 177.804 176.600 -0.365 0.000 1.025 173 K CA 0.291 56.410 56.287 -0.281 0.000 1.104 173 K CB 0.958 33.257 32.500 -0.336 0.000 0.855 173 K HN 0.021 nan 8.250 nan 0.000 0.531 174 A N 1.942 124.667 122.820 -0.158 0.000 1.873 174 A HA -0.270 4.514 4.320 0.774 0.000 0.218 174 A C 2.227 179.716 177.584 -0.159 0.000 1.193 174 A CA 2.133 54.170 52.037 0.000 0.000 0.629 174 A CB -0.429 18.811 19.000 0.400 0.000 0.826 174 A HN 0.475 nan 8.150 nan 0.000 0.447 175 E N -0.398 119.404 120.200 -0.664 0.000 2.049 175 E HA -0.288 4.526 4.350 0.774 0.000 0.198 175 E C 2.060 178.250 176.600 -0.683 0.000 1.007 175 E CA 1.635 57.147 56.400 -1.479 0.000 0.809 175 E CB -0.276 28.401 29.700 -1.705 0.000 0.749 175 E HN 0.730 nan 8.360 nan 0.000 0.450 176 E N -0.438 119.470 120.200 -0.487 0.000 2.153 176 E HA -0.217 4.597 4.350 0.774 0.000 0.194 176 E C 1.816 178.274 176.600 -0.238 0.000 0.988 176 E CA 0.905 57.117 56.400 -0.314 0.000 0.811 176 E CB -0.115 29.422 29.700 -0.273 0.000 0.746 176 E HN 0.393 nan 8.360 nan 0.000 0.466 177 A N 0.661 123.299 122.820 -0.303 0.000 1.854 177 A HA -0.018 4.766 4.320 0.774 0.000 0.214 177 A C 2.442 180.014 177.584 -0.021 0.000 1.192 177 A CA 1.429 53.378 52.037 -0.147 0.000 0.611 177 A CB -1.165 17.744 19.000 -0.152 0.000 0.832 177 A HN 0.426 nan 8.150 nan 0.000 0.442 178 G N 0.203 109.040 108.800 0.063 0.000 2.440 178 G HA2 -0.308 4.116 3.960 0.774 0.000 0.218 178 G HA3 -0.308 4.116 3.960 0.774 0.000 0.218 178 G C 1.425 176.402 174.900 0.129 0.000 1.154 178 G CA 1.172 46.385 45.100 0.188 0.000 0.767 178 G HN 0.517 nan 8.290 nan 0.000 0.552 179 N N 0.423 119.180 118.700 0.094 0.000 2.166 179 N HA -0.017 5.187 4.740 0.774 0.000 0.186 179 N C 2.272 177.771 175.510 -0.019 0.000 1.019 179 N CA 0.568 53.652 53.050 0.057 0.000 0.856 179 N CB -0.343 38.153 38.487 0.015 0.000 0.993 179 N HN 0.283 nan 8.380 nan 0.000 0.426 180 L N 0.451 121.646 121.223 -0.047 0.000 2.127 180 L HA -0.103 4.701 4.340 0.774 0.000 0.211 180 L C 2.347 179.092 176.870 -0.208 0.000 1.089 180 L CA 0.921 55.711 54.840 -0.083 0.000 0.757 180 L CB -0.170 41.865 42.059 -0.040 0.000 0.899 180 L HN 0.200 nan 8.230 nan 0.000 0.434 181 M N -1.106 118.348 119.600 -0.245 0.000 2.193 181 M HA -0.172 4.772 4.480 0.774 0.000 0.265 181 M C 2.236 178.301 176.300 -0.392 0.000 1.071 181 M CA 1.457 56.425 55.300 -0.554 0.000 1.140 181 M CB -0.115 32.316 32.600 -0.281 0.000 1.369 181 M HN 0.205 nan 8.290 nan 0.000 0.423 182 L N -0.066 121.085 121.223 -0.120 0.000 2.081 182 L HA -0.257 4.547 4.340 0.774 0.000 0.212 182 L C 2.052 178.890 176.870 -0.054 0.000 1.080 182 L CA 1.401 56.225 54.840 -0.027 0.000 0.754 182 L CB -0.598 41.489 42.059 0.048 0.000 0.893 182 L HN 0.401 nan 8.230 nan 0.000 0.433 183 Q N -0.293 119.454 119.800 -0.088 0.000 2.482 183 Q HA 0.058 4.862 4.340 0.774 0.000 0.209 183 Q C 1.363 177.306 176.000 -0.095 0.000 0.961 183 Q CA 0.535 56.299 55.803 -0.065 0.000 0.945 183 Q CB 0.255 28.962 28.738 -0.052 0.000 1.012 183 Q HN 0.615 nan 8.270 nan 0.000 0.515 184 G N 1.806 110.482 108.800 -0.208 0.000 2.148 184 G HA2 -0.304 4.120 3.960 0.774 0.000 0.254 184 G HA3 -0.304 4.120 3.960 0.774 0.000 0.254 184 G C 0.038 174.816 174.900 -0.204 0.000 0.981 184 G CA 0.068 45.057 45.100 -0.186 0.000 0.670 184 G HN 0.277 nan 8.290 nan 0.000 0.528 185 K N 0.315 120.535 120.400 -0.301 0.000 2.559 185 K HA 0.474 5.258 4.320 0.774 0.000 0.236 185 K C 0.953 177.449 176.600 -0.174 0.000 1.185 185 K CA -0.713 55.488 56.287 -0.143 0.000 1.157 185 K CB -0.175 32.276 32.500 -0.081 0.000 1.782 185 K HN 0.257 nan 8.250 nan 0.000 0.419 186 F N 0.599 120.576 119.950 0.045 0.000 2.186 186 F HA -0.193 4.798 4.527 0.773 0.000 0.299 186 F C 1.766 177.607 175.800 0.069 0.000 1.090 186 F CA 1.040 59.069 58.000 0.048 0.000 1.307 186 F CB 0.012 39.025 39.000 0.021 0.000 1.019 186 F HN 0.326 nan 8.300 nan 0.000 0.489 187 D N 0.317 120.852 120.400 0.224 0.000 2.097 187 D HA -0.164 4.940 4.640 0.774 0.000 0.195 187 D C 1.848 178.233 176.300 0.141 0.000 0.989 187 D CA 1.422 55.525 54.000 0.171 0.000 0.827 187 D CB -0.504 40.364 40.800 0.114 0.000 0.966 187 D HN 0.167 nan 8.370 nan 0.000 0.456 188 D N 0.207 120.656 120.400 0.082 0.000 2.104 188 D HA -0.111 4.993 4.640 0.774 0.000 0.194 188 D C 1.999 178.334 176.300 0.058 0.000 0.994 188 D CA 1.486 55.511 54.000 0.042 0.000 0.830 188 D CB -0.392 40.417 40.800 0.016 0.000 0.959 188 D HN 0.144 nan 8.370 nan 0.000 0.452 189 A N -0.114 122.761 122.820 0.092 0.000 1.908 189 A HA -0.230 4.554 4.320 0.774 0.000 0.218 189 A C 2.212 179.896 177.584 0.167 0.000 1.181 189 A CA 1.438 53.564 52.037 0.149 0.000 0.627 189 A CB -0.997 18.067 19.000 0.106 0.000 0.818 189 A HN 0.356 nan 8.150 nan 0.000 0.445 190 Y N 0.507 120.832 120.300 0.042 0.000 2.133 190 Y HA -0.220 4.794 4.550 0.774 0.000 0.287 190 Y C 2.510 178.383 175.900 -0.044 0.000 1.134 190 Y CA 2.210 60.307 58.100 -0.005 0.000 1.133 190 Y CB -0.743 37.705 38.460 -0.020 0.000 0.987 190 Y HN 0.442 nan 8.280 nan 0.000 0.502 191 Q N -0.263 119.444 119.800 -0.156 0.000 2.135 191 Q HA -0.195 4.609 4.340 0.774 0.000 0.204 191 Q C 2.303 178.132 176.000 -0.285 0.000 0.981 191 Q CA 1.935 57.581 55.803 -0.262 0.000 0.856 191 Q CB -0.201 28.487 28.738 -0.083 0.000 0.902 191 Q HN 0.504 nan 8.270 nan 0.000 0.425 192 L N -0.791 120.269 121.223 -0.272 0.000 2.209 192 L HA -0.072 4.733 4.340 0.774 0.000 0.207 192 L C 1.218 177.651 176.870 -0.728 0.000 1.094 192 L CA 0.904 55.435 54.840 -0.515 0.000 0.790 192 L CB -0.022 41.647 42.059 -0.650 0.000 0.932 192 L HN 0.408 nan 8.230 nan 0.000 0.447 193 H N -1.265 117.736 119.070 -0.114 0.000 3.052 193 H HA 0.181 5.201 4.556 0.774 0.000 0.257 193 H C -0.033 175.220 175.328 -0.125 0.000 1.193 193 H CA -0.142 55.849 56.048 -0.094 0.000 1.072 193 H CB 0.840 30.566 29.762 -0.060 0.000 1.685 193 H HN 0.082 nan 8.280 nan 0.000 0.630 194 Q N 0.288 119.980 119.800 -0.180 0.000 2.480 194 Q HA -0.183 4.622 4.340 0.774 0.000 0.265 194 Q C -0.244 175.759 176.000 0.005 0.000 1.072 194 Q CA 0.809 56.452 55.803 -0.267 0.000 1.018 194 Q CB -1.906 26.681 28.738 -0.253 0.000 1.433 194 Q HN 0.528 nan 8.270 nan 0.000 0.513 195 M N -0.099 119.560 119.600 0.099 0.000 2.208 195 M HA 0.545 5.489 4.480 0.774 0.000 0.352 195 M C 0.814 177.221 176.300 0.179 0.000 1.137 195 M CA 0.302 55.661 55.300 0.097 0.000 1.091 195 M CB 0.974 33.613 32.600 0.065 0.000 1.309 195 M HN 0.405 nan 8.290 nan 0.000 0.408 196 G N 0.493 109.378 108.800 0.142 0.000 2.439 196 G HA2 0.402 4.826 3.960 0.774 0.000 0.186 196 G HA3 0.402 4.826 3.960 0.774 0.000 0.186 196 G C -0.066 174.710 174.900 -0.208 0.000 1.260 196 G CA 0.078 45.198 45.100 0.034 0.000 1.020 196 G HN 0.919 nan 8.290 nan 0.000 0.470 197 G N -0.229 108.230 108.800 -0.568 0.000 3.031 197 G HA2 0.405 4.829 3.960 0.774 0.000 0.289 197 G HA3 0.405 4.829 3.960 0.774 0.000 0.289 197 G C 0.835 175.492 174.900 -0.406 0.000 1.393 197 G CA 2.468 47.080 45.100 -0.813 0.000 1.010 197 G HN 2.958 nan 8.290 nan 0.000 0.579 198 A N -2.538 120.095 122.820 -0.313 0.000 2.522 198 A HA 0.655 5.439 4.320 0.774 0.000 0.291 198 A C -1.209 176.278 177.584 -0.162 0.000 1.039 198 A CA -0.089 51.850 52.037 -0.162 0.000 0.643 198 A CB 0.005 18.989 19.000 -0.026 0.000 1.310 198 A HN 1.546 nan 8.150 nan 0.000 0.436 199 Y N -0.458 119.853 120.300 0.018 0.000 2.307 199 Y HA 0.484 5.499 4.550 0.774 0.000 0.324 199 Y C -0.154 175.843 175.900 0.161 0.000 1.238 199 Y CA 0.704 58.836 58.100 0.053 0.000 1.280 199 Y CB 1.085 39.547 38.460 0.004 0.000 1.248 199 Y HN 0.628 nan 8.280 nan 0.000 0.508 200 Y N 2.401 122.835 120.300 0.223 0.000 2.385 200 Y HA 0.459 5.474 4.550 0.774 0.000 0.341 200 Y C -0.709 175.283 175.900 0.153 0.000 0.965 200 Y CA -1.177 57.083 58.100 0.267 0.000 1.180 200 Y CB 0.377 39.038 38.460 0.335 0.000 1.139 200 Y HN 0.332 nan 8.280 nan 0.000 0.502 201 V N 8.021 127.716 119.914 -0.365 0.000 2.479 201 V HA 0.185 4.769 4.120 0.774 0.000 0.281 201 V C -0.125 175.575 176.094 -0.657 0.000 1.031 201 V CA -0.070 61.933 62.300 -0.496 0.000 1.038 201 V CB 0.362 31.826 31.823 -0.599 0.000 0.981 201 V HN 0.609 nan 8.190 nan 0.000 0.478 202 V N 4.819 124.469 119.914 -0.440 0.000 2.540 202 V HA 0.612 5.196 4.120 0.774 0.000 0.302 202 V C -1.026 174.852 176.094 -0.360 0.000 1.035 202 V CA -0.837 61.295 62.300 -0.280 0.000 0.873 202 V CB 1.501 33.344 31.823 0.033 0.000 0.992 202 V HN 0.594 nan 8.190 nan 0.000 0.428 203 Y N 4.756 125.021 120.300 -0.058 0.000 2.336 203 Y HA 0.643 5.657 4.550 0.773 0.000 0.335 203 Y C 0.933 176.805 175.900 -0.045 0.000 1.046 203 Y CA -0.288 57.776 58.100 -0.061 0.000 1.198 203 Y CB 0.942 39.361 38.460 -0.068 0.000 1.182 203 Y HN 0.556 nan 8.280 nan 0.000 0.502 204 R N 1.728 122.285 120.500 0.095 0.000 2.664 204 R HA 0.767 5.571 4.340 0.774 0.000 0.286 204 R C -0.591 175.680 176.300 -0.048 0.000 0.967 204 R CA -1.112 54.987 56.100 -0.002 0.000 0.933 204 R CB 1.895 32.190 30.300 -0.008 0.000 1.146 204 R HN 0.764 nan 8.270 nan 0.000 0.468 205 A N 1.623 124.356 122.820 -0.145 0.000 2.322 205 A HA 0.181 4.965 4.320 0.774 0.000 0.269 205 A C -0.154 177.349 177.584 -0.135 0.000 1.094 205 A CA -0.150 51.802 52.037 -0.143 0.000 0.807 205 A CB 0.702 19.586 19.000 -0.193 0.000 1.047 205 A HN 0.473 nan 8.150 nan 0.000 0.487 206 Q N 1.408 121.135 119.800 -0.122 0.000 2.965 206 Q HA 0.159 4.963 4.340 0.774 0.000 0.288 206 Q C 1.024 176.925 176.000 -0.165 0.000 0.974 206 Q CA 0.353 56.082 55.803 -0.124 0.000 0.849 206 Q CB 0.916 29.588 28.738 -0.110 0.000 1.280 206 Q HN 1.044 nan 8.270 nan 0.000 0.441 207 S N -0.305 115.319 115.700 -0.126 0.000 2.444 207 S HA -0.121 4.813 4.470 0.774 0.000 0.244 207 S C 0.863 175.391 174.600 -0.122 0.000 1.025 207 S CA 1.444 59.589 58.200 -0.091 0.000 0.995 207 S CB -0.390 62.806 63.200 -0.007 0.000 0.781 207 S HN 0.527 nan 8.310 nan 0.000 0.496 208 T N -1.649 112.827 114.554 -0.131 0.000 2.928 208 T HA 0.709 5.524 4.350 0.774 0.000 0.296 208 T C -1.431 173.215 174.700 -0.090 0.000 1.000 208 T CA -0.851 61.222 62.100 -0.045 0.000 0.989 208 T CB 2.218 71.131 68.868 0.075 0.000 1.005 208 T HN 0.089 nan 8.240 nan 0.000 0.442 209 D N 0.870 121.263 120.400 -0.010 0.000 2.610 209 D HA 0.664 5.769 4.640 0.774 0.000 0.271 209 D C -0.423 175.955 176.300 0.130 0.000 1.174 209 D CA -0.510 53.496 54.000 0.010 0.000 0.949 209 D CB 2.127 42.879 40.800 -0.080 0.000 1.430 209 D HN 0.920 nan 8.370 nan 0.000 0.467 210 A N 0.780 123.630 122.820 0.051 0.000 2.498 210 A HA 0.533 5.318 4.320 0.774 0.000 0.239 210 A C -0.156 177.438 177.584 0.016 0.000 1.068 210 A CA 0.393 52.456 52.037 0.044 0.000 0.766 210 A CB -0.111 18.895 19.000 0.011 0.000 1.003 210 A HN 0.457 nan 8.150 nan 0.000 0.497 211 I N 1.381 121.985 120.570 0.056 0.000 2.680 211 I HA 0.365 4.999 4.170 0.774 0.000 0.291 211 I C -0.040 176.212 176.117 0.224 0.000 1.244 211 I CA -0.329 60.982 61.300 0.019 0.000 1.042 211 I CB 2.849 40.822 38.000 -0.046 0.000 1.277 211 I HN 0.844 nan 8.210 nan 0.000 0.423 212 T N 2.697 117.353 114.554 0.169 0.000 2.907 212 T HA 0.713 5.527 4.350 0.774 0.000 0.290 212 T C -1.041 173.689 174.700 0.049 0.000 1.066 212 T CA -0.814 61.416 62.100 0.217 0.000 1.012 212 T CB 2.325 71.262 68.868 0.115 0.000 1.184 212 T HN 0.318 nan 8.240 nan 0.000 0.522 213 L N 2.217 123.405 121.223 -0.058 0.000 2.337 213 L HA 0.426 5.230 4.340 0.774 0.000 0.269 213 L C -0.411 176.333 176.870 -0.209 0.000 1.018 213 L CA -0.472 54.126 54.840 -0.403 0.000 0.876 213 L CB 0.542 42.203 42.059 -0.663 0.000 1.236 213 L HN 0.822 nan 8.230 nan 0.000 0.436 214 D N 7.081 127.377 120.400 -0.173 0.000 2.455 214 D HA 0.009 5.113 4.640 0.774 0.000 0.265 214 D C -1.475 174.758 176.300 -0.112 0.000 1.284 214 D CA -1.185 52.755 54.000 -0.099 0.000 0.944 214 D CB 1.345 42.101 40.800 -0.073 0.000 1.121 214 D HN 0.438 nan 8.370 nan 0.000 0.525 215 P HA -0.199 nan 4.420 nan 0.000 0.218 215 P C 1.011 178.278 177.300 -0.055 0.000 1.148 215 P CA 0.992 64.055 63.100 -0.061 0.000 0.822 215 P CB 0.430 32.112 31.700 -0.029 0.000 0.784 216 K N 0.121 120.494 120.400 -0.045 0.000 1.965 216 K HA -0.085 4.699 4.320 0.774 0.000 0.214 216 K C 2.349 178.923 176.600 -0.043 0.000 1.046 216 K CA 2.298 58.564 56.287 -0.035 0.000 0.944 216 K CB -1.792 30.693 32.500 -0.025 0.000 0.726 216 K HN 0.308 nan 8.250 nan 0.000 0.441 217 T N -2.046 112.478 114.554 -0.050 0.000 2.951 217 T HA 0.025 4.839 4.350 0.774 0.000 0.268 217 T C 1.534 176.190 174.700 -0.074 0.000 1.073 217 T CA 1.430 63.500 62.100 -0.050 0.000 1.134 217 T CB -0.285 68.558 68.868 -0.041 0.000 0.884 217 T HN 0.474 nan 8.240 nan 0.000 0.479 218 G N 1.213 109.942 108.800 -0.118 0.000 2.148 218 G HA2 -0.210 4.214 3.960 0.774 0.000 0.254 218 G HA3 -0.210 4.214 3.960 0.774 0.000 0.254 218 G C 0.034 174.794 174.900 -0.232 0.000 0.981 218 G CA 0.309 45.310 45.100 -0.164 0.000 0.670 218 G HN 0.650 nan 8.290 nan 0.000 0.528 219 K N -0.568 119.711 120.400 -0.202 0.000 2.123 219 K HA 0.725 5.510 4.320 0.774 0.000 0.248 219 K C -0.004 176.445 176.600 -0.252 0.000 0.969 219 K CA -0.818 55.379 56.287 -0.149 0.000 0.882 219 K CB 0.929 33.417 32.500 -0.020 0.000 1.080 219 K HN 0.050 nan 8.250 nan 0.000 0.441 220 F N 0.002 119.945 119.950 -0.012 0.000 2.378 220 F HA 0.346 5.337 4.527 0.773 0.000 0.325 220 F C 0.346 176.210 175.800 0.107 0.000 1.097 220 F CA -0.647 57.356 58.000 0.005 0.000 1.079 220 F CB 1.174 40.207 39.000 0.056 0.000 1.240 220 F HN -0.049 nan 8.300 nan 0.000 0.519 221 V N 1.262 121.294 119.914 0.198 0.000 2.482 221 V HA 0.293 4.877 4.120 0.774 0.000 0.295 221 V C -0.685 175.271 176.094 -0.229 0.000 1.026 221 V CA -1.123 61.198 62.300 0.034 0.000 0.856 221 V CB 1.424 33.254 31.823 0.012 0.000 1.001 221 V HN 0.782 nan 8.190 nan 0.000 0.424 222 S N 3.283 118.642 115.700 -0.570 0.000 2.545 222 S HA 0.411 5.345 4.470 0.774 0.000 0.275 222 S C -0.136 174.299 174.600 -0.276 0.000 1.299 222 S CA -0.649 57.105 58.200 -0.743 0.000 1.048 222 S CB 0.854 63.369 63.200 -1.143 0.000 0.938 222 S HN 0.792 nan 8.310 nan 0.000 0.496 223 K N 2.162 122.457 120.400 -0.173 0.000 2.436 223 K HA 0.002 4.786 4.320 0.774 0.000 0.282 223 K C -0.758 175.803 176.600 -0.064 0.000 1.044 223 K CA -0.150 56.087 56.287 -0.083 0.000 1.028 223 K CB -0.045 32.426 32.500 -0.049 0.000 0.919 223 K HN 0.579 nan 8.250 nan 0.000 0.474 224 D N 3.324 123.699 120.400 -0.041 0.000 2.423 224 D HA 0.072 5.176 4.640 0.774 0.000 0.238 224 D C -0.233 176.046 176.300 -0.034 0.000 1.142 224 D CA 0.484 54.468 54.000 -0.025 0.000 0.884 224 D CB 0.608 41.404 40.800 -0.006 0.000 1.199 224 D HN 0.346 nan 8.370 nan 0.000 0.438 225 R N 2.259 122.732 120.500 -0.045 0.000 2.435 225 R HA 0.266 5.070 4.340 0.774 0.000 0.308 225 R C -0.350 175.881 176.300 -0.115 0.000 0.975 225 R CA -0.801 55.258 56.100 -0.068 0.000 0.867 225 R CB 1.126 31.387 30.300 -0.066 0.000 1.171 225 R HN 0.378 nan 8.270 nan 0.000 0.470 226 M N 2.855 122.381 119.600 -0.124 0.000 2.245 226 M HA 0.201 5.146 4.480 0.774 0.000 0.344 226 M C 0.557 176.681 176.300 -0.293 0.000 1.170 226 M CA -0.195 54.985 55.300 -0.200 0.000 1.135 226 M CB 0.547 33.059 32.600 -0.146 0.000 1.574 226 M HN 0.378 nan 8.290 nan 0.000 0.452 227 V N -0.236 119.378 119.914 -0.500 0.000 3.078 227 V HA 1.001 5.585 4.120 0.774 0.000 0.311 227 V C -0.691 175.041 176.094 -0.603 0.000 1.138 227 V CA -1.307 60.689 62.300 -0.508 0.000 1.007 227 V CB 1.625 33.131 31.823 -0.528 0.000 1.045 227 V HN 0.943 nan 8.190 nan 0.000 0.432 228 A N 2.160 124.762 122.820 -0.364 0.000 2.317 228 A HA 0.800 5.584 4.320 0.774 0.000 0.327 228 A C -0.281 177.331 177.584 0.047 0.000 1.178 228 A CA -0.342 51.518 52.037 -0.295 0.000 0.817 228 A CB 0.644 19.448 19.000 -0.327 0.000 1.189 228 A HN 1.190 nan 8.150 nan 0.000 0.489 229 D N 1.006 121.501 120.400 0.158 0.000 2.411 229 D HA 0.133 5.237 4.640 0.774 0.000 0.251 229 D C 0.833 177.068 176.300 -0.109 0.000 1.201 229 D CA -0.694 53.417 54.000 0.187 0.000 0.996 229 D CB 0.116 41.073 40.800 0.261 0.000 1.101 229 D HN 0.371 nan 8.370 nan 0.000 0.504 230 F N 0.348 119.821 119.950 -0.796 0.000 2.091 230 F HA -0.233 4.759 4.527 0.774 0.000 0.299 230 F C 2.027 177.576 175.800 -0.419 0.000 1.103 230 F CA 1.753 59.093 58.000 -1.101 0.000 1.228 230 F CB -0.004 38.118 39.000 -1.463 0.000 0.984 230 F HN 0.225 nan 8.300 nan 0.000 0.477 231 E N -0.149 119.928 120.200 -0.203 0.000 2.070 231 E HA -0.309 4.506 4.350 0.774 0.000 0.197 231 E C 2.106 178.595 176.600 -0.185 0.000 1.004 231 E CA 1.926 58.195 56.400 -0.217 0.000 0.805 231 E CB -1.074 28.616 29.700 -0.017 0.000 0.744 231 E HN 0.696 nan 8.360 nan 0.000 0.451 232 Y N 0.837 121.034 120.300 -0.172 0.000 2.097 232 Y HA -0.282 4.731 4.550 0.773 0.000 0.282 232 Y C 2.371 178.176 175.900 -0.158 0.000 1.152 232 Y CA 1.917 59.948 58.100 -0.115 0.000 1.136 232 Y CB -0.262 38.179 38.460 -0.033 0.000 0.975 232 Y HN 0.072 nan 8.280 nan 0.000 0.498 233 A N -0.191 122.710 122.820 0.135 0.000 1.927 233 A HA -0.283 4.501 4.320 0.774 0.000 0.220 233 A C 2.169 179.694 177.584 -0.100 0.000 1.185 233 A CA 2.877 54.950 52.037 0.060 0.000 0.639 233 A CB -1.617 17.450 19.000 0.112 0.000 0.820 233 A HN 0.535 nan 8.150 nan 0.000 0.451 234 V N -2.454 117.254 119.914 -0.343 0.000 2.719 234 V HA -0.040 4.544 4.120 0.774 0.000 0.252 234 V C 1.972 177.926 176.094 -0.232 0.000 1.065 234 V CA 1.897 63.990 62.300 -0.346 0.000 1.086 234 V CB -1.558 29.895 31.823 -0.616 0.000 0.700 234 V HN 0.707 nan 8.190 nan 0.000 0.467 235 T N -2.452 111.964 114.554 -0.229 0.000 3.244 235 T HA 0.422 5.236 4.350 0.774 0.000 0.254 235 T C 1.542 176.130 174.700 -0.187 0.000 1.024 235 T CA 0.441 62.425 62.100 -0.193 0.000 0.920 235 T CB -0.256 68.489 68.868 -0.206 0.000 1.042 235 T HN 1.321 nan 8.240 nan 0.000 0.572 236 G N 0.607 109.324 108.800 -0.137 0.000 2.309 236 G HA2 -0.025 4.399 3.960 0.774 0.000 0.286 236 G HA3 -0.025 4.399 3.960 0.774 0.000 0.286 236 G C 1.095 175.872 174.900 -0.205 0.000 1.002 236 G CA 0.660 45.698 45.100 -0.103 0.000 0.786 236 G HN 1.831 nan 8.290 nan 0.000 0.511 237 G N -1.707 106.781 108.800 -0.520 0.000 2.307 237 G HA2 -0.251 4.173 3.960 0.774 0.000 0.210 237 G HA3 -0.251 4.173 3.960 0.774 0.000 0.210 237 G C 1.016 175.487 174.900 -0.714 0.000 1.005 237 G CA 0.904 45.358 45.100 -1.078 0.000 0.634 237 G HN 0.574 nan 8.290 nan 0.000 0.496 238 E N 0.746 120.717 120.200 -0.381 0.000 2.055 238 E HA -0.167 4.647 4.350 0.774 0.000 0.209 238 E C 1.669 178.130 176.600 -0.232 0.000 1.036 238 E CA 1.816 58.074 56.400 -0.238 0.000 0.849 238 E CB -0.091 29.510 29.700 -0.165 0.000 0.767 238 E HN 0.710 nan 8.360 nan 0.000 0.461 239 Q N -1.713 117.946 119.800 -0.236 0.000 3.067 239 Q HA 0.497 5.301 4.340 0.774 0.000 0.200 239 Q C 0.262 176.176 176.000 -0.142 0.000 1.068 239 Q CA 0.105 55.815 55.803 -0.156 0.000 0.800 239 Q CB 1.191 29.868 28.738 -0.102 0.000 2.832 239 Q HN 0.323 nan 8.270 nan 0.000 0.405 240 G N 0.183 108.964 108.800 -0.030 0.000 2.752 240 G HA2 -0.143 4.282 3.960 0.774 0.000 0.234 240 G HA3 -0.143 4.282 3.960 0.774 0.000 0.234 240 G C -0.658 174.366 174.900 0.207 0.000 1.367 240 G CA -0.169 44.982 45.100 0.085 0.000 0.879 240 G HN 1.031 nan 8.290 nan 0.000 0.563 241 S N -1.649 114.258 115.700 0.345 0.000 2.588 241 S HA 0.758 5.692 4.470 0.774 0.000 0.275 241 S C -1.151 173.676 174.600 0.379 0.000 1.130 241 S CA -0.528 57.901 58.200 0.381 0.000 0.855 241 S CB 2.363 65.695 63.200 0.221 0.000 1.116 241 S HN 1.970 nan 8.310 nan 0.000 0.472 242 L N 2.241 123.622 121.223 0.262 0.000 2.356 242 L HA 0.913 5.717 4.340 0.774 0.000 0.277 242 L C -1.469 175.501 176.870 0.166 0.000 0.996 242 L CA -0.718 54.092 54.840 -0.050 0.000 0.822 242 L CB 0.863 42.787 42.059 -0.224 0.000 1.256 242 L HN 0.874 nan 8.230 nan 0.000 0.413 243 F N 2.695 122.606 119.950 -0.065 0.000 2.711 243 F HA 0.925 5.916 4.527 0.774 0.000 0.313 243 F C -0.485 175.299 175.800 -0.027 0.000 1.141 243 F CA -1.140 56.844 58.000 -0.026 0.000 0.941 243 F CB 0.632 39.627 39.000 -0.008 0.000 1.349 243 F HN 0.626 nan 8.300 nan 0.000 0.464 244 A N 1.273 124.159 122.820 0.111 0.000 2.401 244 A HA 0.717 5.502 4.320 0.774 0.000 0.259 244 A C 0.240 177.862 177.584 0.064 0.000 1.103 244 A CA 0.020 52.065 52.037 0.012 0.000 0.789 244 A CB -0.336 18.701 19.000 0.061 0.000 1.035 244 A HN 1.518 nan 8.150 nan 0.000 0.491 245 A N 1.963 124.747 122.820 -0.060 0.000 2.346 245 A HA 0.530 5.315 4.320 0.774 0.000 0.252 245 A C 0.751 178.385 177.584 0.084 0.000 1.089 245 A CA 0.219 52.259 52.037 0.006 0.000 0.797 245 A CB 0.185 19.147 19.000 -0.062 0.000 1.047 245 A HN 1.244 nan 8.150 nan 0.000 0.494 246 S N -0.405 115.360 115.700 0.109 0.000 2.410 246 S HA 0.281 5.215 4.470 0.774 0.000 0.304 246 S C 0.594 175.272 174.600 0.130 0.000 1.095 246 S CA -0.549 57.721 58.200 0.116 0.000 1.089 246 S CB 0.042 63.307 63.200 0.109 0.000 0.968 246 S HN 0.581 nan 8.310 nan 0.000 0.480 247 K N 2.490 122.986 120.400 0.161 0.000 2.417 247 K HA 0.064 4.848 4.320 0.774 0.000 0.196 247 K C 0.058 176.847 176.600 0.315 0.000 1.023 247 K CA -0.129 56.299 56.287 0.235 0.000 1.122 247 K CB 0.140 32.777 32.500 0.229 0.000 0.850 247 K HN 0.563 nan 8.250 nan 0.000 0.521 248 D N 1.052 121.589 120.400 0.229 0.000 2.434 248 D HA -0.029 5.076 4.640 0.774 0.000 0.252 248 D C 0.221 176.579 176.300 0.097 0.000 1.185 248 D CA 0.067 54.164 54.000 0.162 0.000 0.886 248 D CB 1.107 41.972 40.800 0.109 0.000 1.148 248 D HN 0.185 nan 8.370 nan 0.000 0.483 249 A N 3.271 126.106 122.820 0.025 0.000 2.415 249 A HA 0.101 4.885 4.320 0.774 0.000 0.248 249 A C 1.952 179.499 177.584 -0.062 0.000 1.299 249 A CA -0.170 51.858 52.037 -0.015 0.000 0.899 249 A CB 0.057 19.038 19.000 -0.032 0.000 0.997 249 A HN 0.498 nan 8.150 nan 0.000 0.506 250 S N 0.922 116.595 115.700 -0.046 0.000 2.383 250 S HA -0.187 4.747 4.470 0.774 0.000 0.227 250 S C 2.184 176.754 174.600 -0.050 0.000 1.026 250 S CA 1.344 59.511 58.200 -0.054 0.000 0.981 250 S CB -0.327 62.851 63.200 -0.037 0.000 0.818 250 S HN 0.885 nan 8.310 nan 0.000 0.472 251 R N 1.907 122.390 120.500 -0.028 0.000 2.119 251 R HA -0.126 4.679 4.340 0.774 0.000 0.246 251 R C 1.951 178.220 176.300 -0.052 0.000 1.146 251 R CA 1.552 57.634 56.100 -0.031 0.000 0.962 251 R CB -1.237 29.069 30.300 0.009 0.000 0.863 251 R HN 0.328 nan 8.270 nan 0.000 0.442 252 L N 0.802 121.993 121.223 -0.053 0.000 2.089 252 L HA -0.217 4.587 4.340 0.774 0.000 0.213 252 L C 2.744 179.597 176.870 -0.029 0.000 1.079 252 L CA 1.879 56.690 54.840 -0.049 0.000 0.758 252 L CB -0.630 41.250 42.059 -0.298 0.000 0.891 252 L HN 0.246 nan 8.230 nan 0.000 0.433 253 K N 0.902 121.262 120.400 -0.066 0.000 2.001 253 K HA -0.217 4.568 4.320 0.774 0.000 0.208 253 K C 2.015 178.577 176.600 -0.064 0.000 1.048 253 K CA 1.756 58.009 56.287 -0.057 0.000 0.932 253 K CB -0.281 32.182 32.500 -0.062 0.000 0.715 253 K HN 0.282 nan 8.250 nan 0.000 0.437 254 E N -0.130 120.022 120.200 -0.079 0.000 2.153 254 E HA -0.240 4.574 4.350 0.774 0.000 0.194 254 E C 1.827 178.338 176.600 -0.147 0.000 0.988 254 E CA 1.374 57.720 56.400 -0.091 0.000 0.811 254 E CB 0.068 29.721 29.700 -0.079 0.000 0.746 254 E HN 0.509 nan 8.360 nan 0.000 0.466 255 Q N -1.363 118.288 119.800 -0.249 0.000 2.165 255 Q HA -0.052 4.752 4.340 0.774 0.000 0.197 255 Q C 0.763 176.376 176.000 -0.646 0.000 0.952 255 Q CA 0.898 56.387 55.803 -0.524 0.000 0.848 255 Q CB 0.320 28.526 28.738 -0.886 0.000 0.931 255 Q HN 0.402 nan 8.270 nan 0.000 0.470 256 Y N -1.337 118.961 120.300 -0.003 0.000 2.588 256 Y HA 0.375 5.390 4.550 0.774 0.000 0.247 256 Y C 1.204 177.101 175.900 -0.005 0.000 1.157 256 Y CA 0.022 58.133 58.100 0.019 0.000 1.215 256 Y CB 1.006 39.497 38.460 0.052 0.000 1.245 256 Y HN 0.163 nan 8.280 nan 0.000 0.534 257 G N 1.274 110.108 108.800 0.056 0.000 2.166 257 G HA2 -0.329 4.095 3.960 0.774 0.000 0.260 257 G HA3 -0.329 4.095 3.960 0.774 0.000 0.260 257 G C 0.195 175.109 174.900 0.024 0.000 0.986 257 G CA 0.285 45.400 45.100 0.025 0.000 0.683 257 G HN 0.377 nan 8.290 nan 0.000 0.527 258 I N 1.198 121.792 120.570 0.040 0.000 2.533 258 I HA 0.155 4.789 4.170 0.774 0.000 0.284 258 I C 0.553 176.635 176.117 -0.059 0.000 1.109 258 I CA -0.339 60.956 61.300 -0.009 0.000 1.412 258 I CB 0.690 38.665 38.000 -0.041 0.000 1.396 258 I HN 0.129 nan 8.210 nan 0.000 0.543 259 D N 6.716 127.074 120.400 -0.070 0.000 2.371 259 D HA 0.152 5.256 4.640 0.774 0.000 0.256 259 D C -0.644 175.571 176.300 -0.141 0.000 1.193 259 D CA -0.079 53.864 54.000 -0.096 0.000 0.881 259 D CB 0.954 41.698 40.800 -0.093 0.000 1.143 259 D HN 0.126 nan 8.370 nan 0.000 0.473 260 V N 7.356 127.185 119.914 -0.142 0.000 2.304 260 V HA 0.315 4.899 4.120 0.774 0.000 0.269 260 V C -1.591 174.395 176.094 -0.179 0.000 1.036 260 V CA -1.321 60.876 62.300 -0.173 0.000 0.840 260 V CB 0.668 32.408 31.823 -0.138 0.000 1.036 260 V HN 0.629 nan 8.190 nan 0.000 0.466 261 P HA 0.132 nan 4.420 nan 0.000 0.271 261 P C -0.416 176.846 177.300 -0.064 0.000 1.218 261 P CA -0.273 62.702 63.100 -0.208 0.000 0.780 261 P CB 0.869 32.345 31.700 -0.373 0.000 0.901 262 D N 1.001 121.393 120.400 -0.013 0.000 2.493 262 D HA 0.240 5.345 4.640 0.774 0.000 0.240 262 D C 1.278 177.605 176.300 0.045 0.000 1.142 262 D CA 1.657 55.667 54.000 0.017 0.000 0.872 262 D CB -0.330 40.504 40.800 0.057 0.000 1.173 262 D HN 0.728 nan 8.370 nan 0.000 0.467 263 G N 2.271 110.993 108.800 -0.130 0.000 2.142 263 G HA2 -0.208 4.216 3.960 0.774 0.000 0.225 263 G HA3 -0.208 4.216 3.960 0.774 0.000 0.225 263 G C -0.268 174.174 174.900 -0.763 0.000 1.015 263 G CA -0.236 44.573 45.100 -0.484 0.000 0.716 263 G HN 0.365 nan 8.290 nan 0.000 0.508 264 F N -0.561 118.923 119.950 -0.776 0.000 2.540 264 F HA 0.843 5.835 4.527 0.774 0.000 0.317 264 F C 0.149 175.479 175.800 -0.785 0.000 1.104 264 F CA -1.260 56.404 58.000 -0.559 0.000 0.913 264 F CB 1.544 40.362 39.000 -0.304 0.000 1.170 264 F HN -0.009 nan 8.300 nan 0.000 0.450 265 F N 0.251 120.181 119.950 -0.034 0.000 2.654 265 F HA 0.607 5.599 4.527 0.774 0.000 0.334 265 F C -0.101 175.836 175.800 0.227 0.000 1.078 265 F CA -1.340 56.705 58.000 0.076 0.000 0.986 265 F CB 0.663 39.689 39.000 0.043 0.000 1.362 265 F HN 0.264 nan 8.300 nan 0.000 0.498 266 C N 0.910 120.472 119.300 0.436 0.000 2.595 266 C HA 0.287 5.212 4.460 0.774 0.000 0.384 266 C C 0.483 175.692 174.990 0.365 0.000 1.289 266 C CA -0.682 58.556 59.018 0.368 0.000 2.372 266 C CB -0.017 27.897 27.740 0.290 0.000 2.593 266 C HN 0.677 nan 8.230 nan 0.000 0.639 267 E N 0.717 121.061 120.200 0.239 0.000 2.392 267 E HA 0.168 4.982 4.350 0.774 0.000 0.259 267 E C 0.190 176.790 176.600 0.001 0.000 1.108 267 E CA -0.202 56.221 56.400 0.039 0.000 0.916 267 E CB 0.524 30.223 29.700 -0.001 0.000 0.989 267 E HN 0.484 nan 8.360 nan 0.000 0.432 268 R N 2.421 122.862 120.500 -0.099 0.000 2.340 268 R HA 0.165 4.970 4.340 0.774 0.000 0.300 268 R C -0.523 175.744 176.300 -0.056 0.000 1.069 268 R CA -0.178 55.880 56.100 -0.070 0.000 0.984 268 R CB 0.592 30.831 30.300 -0.102 0.000 1.003 268 R HN 0.434 nan 8.270 nan 0.000 0.459 269 R N 4.116 124.594 120.500 -0.037 0.000 2.494 269 R HA 0.353 5.158 4.340 0.774 0.000 0.305 269 R C -0.472 175.840 176.300 0.019 0.000 0.959 269 R CA -0.856 55.236 56.100 -0.014 0.000 0.864 269 R CB 2.012 32.300 30.300 -0.019 0.000 1.159 269 R HN 0.604 nan 8.270 nan 0.000 0.446 270 R N 0.673 121.202 120.500 0.047 0.000 2.604 270 R HA 0.263 5.067 4.340 0.774 0.000 0.287 270 R C 0.203 176.574 176.300 0.118 0.000 0.970 270 R CA -0.589 55.543 56.100 0.053 0.000 0.946 270 R CB 1.740 32.040 30.300 0.001 0.000 1.127 270 R HN 0.621 nan 8.270 nan 0.000 0.473 271 T N -1.075 113.526 114.554 0.078 0.000 2.882 271 T HA 0.647 5.462 4.350 0.774 0.000 0.287 271 T C -0.007 174.625 174.700 -0.113 0.000 1.014 271 T CA -0.716 61.350 62.100 -0.057 0.000 1.049 271 T CB 1.553 70.366 68.868 -0.091 0.000 1.001 271 T HN 0.657 nan 8.240 nan 0.000 0.525 272 A N 2.665 125.369 122.820 -0.193 0.000 2.549 272 A HA 0.693 5.477 4.320 0.774 0.000 0.297 272 A C -0.681 176.828 177.584 -0.124 0.000 1.061 272 A CA -1.129 50.839 52.037 -0.115 0.000 0.690 272 A CB 1.605 20.576 19.000 -0.048 0.000 1.287 272 A HN 0.799 nan 8.150 nan 0.000 0.402 273 M N 1.708 121.265 119.600 -0.072 0.000 2.383 273 M HA 0.478 5.422 4.480 0.774 0.000 0.325 273 M C 0.309 176.715 176.300 0.176 0.000 1.092 273 M CA -0.348 54.957 55.300 0.008 0.000 0.961 273 M CB 1.347 33.841 32.600 -0.176 0.000 1.672 273 M HN 0.914 nan 8.290 nan 0.000 0.438 274 G N 1.549 110.516 108.800 0.279 0.000 2.428 274 G HA2 0.561 4.985 3.960 0.774 0.000 0.320 274 G HA3 0.561 4.985 3.960 0.774 0.000 0.320 274 G C 0.202 175.246 174.900 0.241 0.000 1.098 274 G CA -0.462 44.795 45.100 0.261 0.000 0.984 274 G HN 0.900 nan 8.290 nan 0.000 0.444 275 G N 2.911 111.836 108.800 0.208 0.000 2.503 275 G HA2 0.543 4.967 3.960 0.774 0.000 0.257 275 G HA3 0.543 4.967 3.960 0.774 0.000 0.257 275 G C -2.199 172.608 174.900 -0.155 0.000 1.214 275 G CA -1.074 43.961 45.100 -0.109 0.000 0.839 275 G HN 0.466 nan 8.290 nan 0.000 0.559 276 P HA 0.019 nan 4.420 nan 0.000 0.276 276 P C 0.447 177.710 177.300 -0.062 0.000 1.264 276 P CA -0.395 62.594 63.100 -0.184 0.000 0.769 276 P CB 0.924 32.504 31.700 -0.201 0.000 0.840 277 F N 5.160 125.018 119.950 -0.154 0.000 2.154 277 F HA -0.252 4.739 4.527 0.773 0.000 0.301 277 F C 2.278 178.042 175.800 -0.060 0.000 1.087 277 F CA 1.963 59.910 58.000 -0.088 0.000 1.274 277 F CB -0.923 38.033 39.000 -0.072 0.000 1.009 277 F HN 0.405 nan 8.300 nan 0.000 0.485 278 A N -0.318 122.419 122.820 -0.138 0.000 1.978 278 A HA -0.189 4.595 4.320 0.774 0.000 0.220 278 A C 2.120 179.584 177.584 -0.201 0.000 1.170 278 A CA 1.915 53.841 52.037 -0.185 0.000 0.636 278 A CB -1.039 17.922 19.000 -0.064 0.000 0.810 278 A HN 0.470 nan 8.150 nan 0.000 0.448 279 L N -0.354 120.775 121.223 -0.157 0.000 2.168 279 L HA 0.089 4.893 4.340 0.774 0.000 0.203 279 L C 1.692 178.478 176.870 -0.139 0.000 1.078 279 L CA 2.003 56.769 54.840 -0.124 0.000 0.780 279 L CB -0.705 41.286 42.059 -0.113 0.000 0.939 279 L HN 0.400 nan 8.230 nan 0.000 0.451 280 N N -0.481 118.130 118.700 -0.150 0.000 2.381 280 N HA -0.104 5.100 4.740 0.774 0.000 0.182 280 N C 1.804 177.232 175.510 -0.137 0.000 1.025 280 N CA 0.892 53.894 53.050 -0.081 0.000 0.888 280 N CB -0.120 38.388 38.487 0.034 0.000 0.965 280 N HN 0.513 nan 8.380 nan 0.000 0.438 281 A N 2.134 124.717 122.820 -0.396 0.000 1.835 281 A HA -0.084 4.700 4.320 0.774 0.000 0.215 281 A C -0.254 177.221 177.584 -0.182 0.000 1.199 281 A CA 1.243 53.019 52.037 -0.434 0.000 0.615 281 A CB -1.576 17.004 19.000 -0.699 0.000 0.838 281 A HN 0.183 nan 8.150 nan 0.000 0.444 282 P HA -0.158 nan 4.420 nan 0.000 0.218 282 P C 1.462 179.049 177.300 0.479 0.000 1.146 282 P CA 1.206 64.326 63.100 0.033 0.000 0.813 282 P CB -0.184 31.634 31.700 0.196 0.000 0.778 283 I N -1.064 119.680 120.570 0.289 0.000 2.233 283 I HA -0.173 4.461 4.170 0.774 0.000 0.243 283 I C 2.770 179.137 176.117 0.418 0.000 1.093 283 I CA 1.303 62.859 61.300 0.428 0.000 1.380 283 I CB -0.627 37.511 38.000 0.229 0.000 1.067 283 I HN -0.174 nan 8.210 nan 0.000 0.413 284 M N 0.599 120.345 119.600 0.242 0.000 2.149 284 M HA -0.215 4.729 4.480 0.774 0.000 0.261 284 M C 2.536 178.966 176.300 0.217 0.000 1.064 284 M CA 1.948 57.372 55.300 0.206 0.000 1.102 284 M CB -0.614 32.080 32.600 0.157 0.000 1.369 284 M HN 0.320 nan 8.290 nan 0.000 0.408 285 A N -0.104 122.857 122.820 0.235 0.000 1.958 285 A HA -0.142 4.642 4.320 0.774 0.000 0.221 285 A C 2.219 179.975 177.584 0.286 0.000 1.178 285 A CA 2.140 54.334 52.037 0.262 0.000 0.642 285 A CB -0.921 18.270 19.000 0.318 0.000 0.816 285 A HN 0.354 nan 8.150 nan 0.000 0.453 286 V N -1.023 119.108 119.914 0.362 0.000 2.599 286 V HA -0.008 4.577 4.120 0.774 0.000 0.245 286 V C 2.926 179.087 176.094 0.113 0.000 1.046 286 V CA 1.230 63.653 62.300 0.205 0.000 1.065 286 V CB -0.944 31.023 31.823 0.241 0.000 0.703 286 V HN 0.595 nan 8.190 nan 0.000 0.464 287 A N 0.064 123.005 122.820 0.202 0.000 1.908 287 A HA -0.322 4.462 4.320 0.774 0.000 0.218 287 A C 2.172 179.753 177.584 -0.005 0.000 1.181 287 A CA 2.432 54.532 52.037 0.105 0.000 0.627 287 A CB -0.514 18.598 19.000 0.187 0.000 0.818 287 A HN 0.516 nan 8.150 nan 0.000 0.445 288 Q N 0.009 119.829 119.800 0.033 0.000 2.079 288 Q HA -0.044 4.760 4.340 0.774 0.000 0.200 288 Q C -0.687 175.277 176.000 -0.061 0.000 0.974 288 Q CA 2.058 57.861 55.803 0.001 0.000 0.840 288 Q CB -1.214 27.551 28.738 0.046 0.000 0.898 288 Q HN 0.438 nan 8.270 nan 0.000 0.430 289 P HA -0.144 nan 4.420 nan 0.000 0.215 289 P C 1.220 178.417 177.300 -0.171 0.000 1.153 289 P CA 1.261 64.306 63.100 -0.092 0.000 0.853 289 P CB -0.011 31.645 31.700 -0.074 0.000 0.788 290 V N -0.013 119.750 119.914 -0.251 0.000 2.332 290 V HA -0.276 4.309 4.120 0.774 0.000 0.248 290 V C 2.441 178.314 176.094 -0.369 0.000 1.055 290 V CA 1.838 63.910 62.300 -0.381 0.000 1.038 290 V CB -0.964 30.501 31.823 -0.597 0.000 0.651 290 V HN 0.107 nan 8.190 nan 0.000 0.450 291 R N 0.265 120.545 120.500 -0.366 0.000 2.091 291 R HA -0.166 4.638 4.340 0.774 0.000 0.238 291 R C 2.221 178.199 176.300 -0.535 0.000 1.136 291 R CA 1.709 57.446 56.100 -0.606 0.000 0.959 291 R CB -0.601 29.475 30.300 -0.373 0.000 0.856 291 R HN 0.561 nan 8.270 nan 0.000 0.437 292 N N 1.060 119.623 118.700 -0.228 0.000 2.104 292 N HA -0.192 5.012 4.740 0.774 0.000 0.190 292 N C 1.647 177.086 175.510 -0.117 0.000 1.024 292 N CA 1.234 54.218 53.050 -0.110 0.000 0.853 292 N CB -0.217 38.224 38.487 -0.076 0.000 1.008 292 N HN 0.267 nan 8.380 nan 0.000 0.424 293 K N 1.381 121.696 120.400 -0.142 0.000 1.985 293 K HA -0.058 4.726 4.320 0.774 0.000 0.210 293 K C 2.195 178.761 176.600 -0.056 0.000 1.047 293 K CA 1.228 57.458 56.287 -0.095 0.000 0.932 293 K CB -0.205 32.253 32.500 -0.069 0.000 0.716 293 K HN 0.274 nan 8.250 nan 0.000 0.439 294 I N -1.579 118.941 120.570 -0.082 0.000 2.361 294 I HA -0.207 4.427 4.170 0.774 0.000 0.251 294 I C 1.287 177.511 176.117 0.178 0.000 1.133 294 I CA 1.226 62.577 61.300 0.085 0.000 1.413 294 I CB -0.472 37.407 38.000 -0.201 0.000 1.073 294 I HN 0.091 nan 8.210 nan 0.000 0.424 295 Y N 2.156 122.473 120.300 0.029 0.000 2.516 295 Y HA -0.029 4.984 4.550 0.772 0.000 0.291 295 Y C 2.920 178.756 175.900 -0.107 0.000 1.131 295 Y CA 0.291 58.398 58.100 0.013 0.000 1.281 295 Y CB -0.834 37.614 38.460 -0.021 0.000 1.013 295 Y HN 0.486 nan 8.280 nan 0.000 0.554 296 S N -0.478 115.234 115.700 0.021 0.000 2.440 296 S HA -0.033 4.901 4.470 0.774 0.000 0.194 296 S C 2.004 176.546 174.600 -0.097 0.000 0.952 296 S CA 0.416 58.573 58.200 -0.073 0.000 0.898 296 S CB -0.480 62.664 63.200 -0.092 0.000 0.875 296 S HN 0.202 nan 8.310 nan 0.000 0.581 297 K N 0.199 120.479 120.400 -0.200 0.000 2.103 297 K HA -0.083 4.701 4.320 0.774 0.000 0.207 297 K C 0.327 176.607 176.600 -0.534 0.000 1.048 297 K CA 1.335 57.365 56.287 -0.428 0.000 0.930 297 K CB -0.214 31.880 32.500 -0.678 0.000 0.716 297 K HN 0.545 nan 8.250 nan 0.000 0.444 298 Y N -0.416 119.953 120.300 0.115 0.000 2.774 298 Y HA 0.355 5.370 4.550 0.774 0.000 0.305 298 Y C 1.097 177.043 175.900 0.077 0.000 1.067 298 Y CA -0.408 57.752 58.100 0.101 0.000 1.304 298 Y CB 0.112 38.664 38.460 0.153 0.000 1.209 298 Y HN 0.075 nan 8.280 nan 0.000 0.543 299 A N -0.612 122.300 122.820 0.154 0.000 2.084 299 A HA -0.283 4.502 4.320 0.774 0.000 0.221 299 A C 1.906 179.556 177.584 0.111 0.000 1.161 299 A CA 1.626 53.757 52.037 0.157 0.000 0.653 299 A CB -0.805 18.255 19.000 0.100 0.000 0.802 299 A HN 0.643 nan 8.150 nan 0.000 0.457 300 Y N 1.492 121.795 120.300 0.006 0.000 2.114 300 Y HA -0.226 4.789 4.550 0.775 0.000 0.284 300 Y C 2.838 178.720 175.900 -0.031 0.000 1.143 300 Y CA 2.614 60.708 58.100 -0.011 0.000 1.135 300 Y CB -0.455 37.972 38.460 -0.054 0.000 0.980 300 Y HN 0.405 nan 8.280 nan 0.000 0.499 301 T N -3.037 111.527 114.554 0.016 0.000 3.065 301 T HA 0.066 4.880 4.350 0.774 0.000 0.252 301 T C 1.276 175.852 174.700 -0.207 0.000 1.099 301 T CA 0.551 62.534 62.100 -0.196 0.000 1.063 301 T CB -0.715 67.818 68.868 -0.557 0.000 0.948 301 T HN 0.352 nan 8.240 nan 0.000 0.506 302 F N -0.260 119.725 119.950 0.058 0.000 2.711 302 F HA 0.349 5.344 4.527 0.780 0.000 0.296 302 F C 1.278 176.812 175.800 -0.444 0.000 1.096 302 F CA -0.869 57.112 58.000 -0.032 0.000 1.280 302 F CB 0.433 39.484 39.000 0.084 0.000 1.060 302 F HN 0.248 nan 8.300 nan 0.000 0.608 303 H N 2.197 121.020 119.070 -0.411 0.000 2.690 303 H HA 0.229 5.248 4.556 0.773 0.000 0.289 303 H C -0.981 173.964 175.328 -0.638 0.000 1.089 303 H CA -0.227 55.502 56.048 -0.533 0.000 1.299 303 H CB 0.054 29.700 29.762 -0.193 0.000 1.405 303 H HN 0.101 nan 8.280 nan 0.000 0.463 304 H N 3.783 122.569 119.070 -0.474 0.000 2.529 304 H HA 0.158 5.178 4.556 0.773 0.000 0.348 304 H C 0.554 175.656 175.328 -0.377 0.000 1.079 304 H CA -0.439 55.407 56.048 -0.337 0.000 1.198 304 H CB 2.197 31.899 29.762 -0.100 0.000 1.521 304 H HN 0.726 nan 8.280 nan 0.000 0.514 305 T N -0.841 113.614 114.554 -0.165 0.000 3.364 305 T HA 0.099 4.913 4.350 0.774 0.000 0.179 305 T C 0.817 175.547 174.700 0.051 0.000 0.939 305 T CA 0.404 62.489 62.100 -0.025 0.000 1.094 305 T CB -0.358 68.441 68.868 -0.116 0.000 1.532 305 T HN 0.528 nan 8.240 nan 0.000 0.346 306 T N 0.590 115.129 114.554 -0.027 0.000 2.824 306 T HA 0.444 5.258 4.350 0.774 0.000 0.277 306 T C 1.174 175.818 174.700 -0.093 0.000 0.975 306 T CA -0.858 61.220 62.100 -0.036 0.000 0.966 306 T CB 1.161 69.999 68.868 -0.050 0.000 1.054 306 T HN 0.450 nan 8.240 nan 0.000 0.533 307 R N -0.285 120.160 120.500 -0.092 0.000 2.120 307 R HA -0.003 4.801 4.340 0.774 0.000 0.234 307 R C 1.804 178.098 176.300 -0.011 0.000 1.123 307 R CA 0.652 56.688 56.100 -0.107 0.000 0.975 307 R CB -0.692 29.584 30.300 -0.041 0.000 0.866 307 R HN 0.314 nan 8.270 nan 0.000 0.446 308 L N 1.248 122.463 121.223 -0.013 0.000 2.209 308 L HA -0.027 4.778 4.340 0.774 0.000 0.207 308 L C 2.041 178.907 176.870 -0.007 0.000 1.094 308 L CA 1.395 56.238 54.840 0.006 0.000 0.790 308 L CB -0.993 41.057 42.059 -0.014 0.000 0.932 308 L HN 0.177 nan 8.230 nan 0.000 0.447 309 N N 0.204 118.882 118.700 -0.036 0.000 2.036 309 N HA -0.242 4.962 4.740 0.774 0.000 0.195 309 N C 1.757 177.234 175.510 -0.054 0.000 1.037 309 N CA 1.778 54.800 53.050 -0.047 0.000 0.855 309 N CB 0.069 38.520 38.487 -0.061 0.000 1.033 309 N HN 0.261 nan 8.380 nan 0.000 0.423 310 K N 0.060 120.418 120.400 -0.069 0.000 2.025 310 K HA -0.148 4.636 4.320 0.774 0.000 0.207 310 K C 2.075 178.753 176.600 0.129 0.000 1.049 310 K CA 1.348 57.597 56.287 -0.063 0.000 0.933 310 K CB -0.254 32.014 32.500 -0.387 0.000 0.714 310 K HN 0.336 nan 8.250 nan 0.000 0.438 311 E N 1.522 121.903 120.200 0.301 0.000 2.070 311 E HA -0.267 4.547 4.350 0.774 0.000 0.197 311 E C 1.783 178.345 176.600 -0.063 0.000 1.004 311 E CA 1.557 58.057 56.400 0.168 0.000 0.805 311 E CB 0.109 29.892 29.700 0.137 0.000 0.744 311 E HN 0.278 nan 8.360 nan 0.000 0.451 312 E N 0.268 120.437 120.200 -0.052 0.000 2.033 312 E HA -0.261 4.554 4.350 0.774 0.000 0.199 312 E C 2.162 178.680 176.600 -0.137 0.000 1.011 312 E CA 1.767 58.121 56.400 -0.076 0.000 0.815 312 E CB -0.067 29.605 29.700 -0.046 0.000 0.755 312 E HN 0.205 nan 8.360 nan 0.000 0.451 313 K N 0.309 120.585 120.400 -0.208 0.000 2.009 313 K HA -0.153 4.631 4.320 0.774 0.000 0.210 313 K C 2.187 178.403 176.600 -0.641 0.000 1.049 313 K CA 1.474 57.573 56.287 -0.315 0.000 0.929 313 K CB -0.255 31.941 32.500 -0.507 0.000 0.714 313 K HN -0.021 nan 8.250 nan 0.000 0.440 314 V N 1.964 121.361 119.914 -0.861 0.000 2.515 314 V HA -0.214 4.370 4.120 0.774 0.000 0.250 314 V C 2.006 177.673 176.094 -0.711 0.000 1.058 314 V CA 1.522 63.024 62.300 -1.331 0.000 1.064 314 V CB -0.402 30.855 31.823 -0.944 0.000 0.675 314 V HN 0.286 nan 8.190 nan 0.000 0.461 315 K N 0.227 120.394 120.400 -0.389 0.000 2.211 315 K HA -0.195 4.589 4.320 0.774 0.000 0.204 315 K C 1.602 178.165 176.600 -0.062 0.000 1.047 315 K CA 1.425 57.602 56.287 -0.184 0.000 0.935 315 K CB -0.138 32.288 32.500 -0.123 0.000 0.728 315 K HN 0.622 nan 8.250 nan 0.000 0.452 316 E N -0.593 119.580 120.200 -0.044 0.000 2.445 316 E HA -0.037 4.778 4.350 0.774 0.000 0.189 316 E C -0.319 176.494 176.600 0.355 0.000 1.069 316 E CA -0.150 56.333 56.400 0.139 0.000 0.871 316 E CB 0.161 29.966 29.700 0.175 0.000 0.991 316 E HN 0.144 nan 8.360 nan 0.000 0.481 317 W N 0.177 121.524 121.300 0.079 0.000 2.436 317 W HA 0.237 5.402 4.660 0.841 0.000 0.347 317 W C 1.173 177.764 176.519 0.119 0.000 1.136 317 W CA -1.415 55.992 57.345 0.105 0.000 1.286 317 W CB 1.005 30.525 29.460 0.100 0.000 1.253 317 W HN -0.177 nan 8.180 nan 0.000 0.617 318 S N 0.630 116.555 115.700 0.374 0.000 2.470 318 S HA 0.110 5.044 4.470 0.774 0.000 0.222 318 S C -0.044 174.718 174.600 0.270 0.000 1.024 318 S CA 0.155 58.522 58.200 0.277 0.000 0.931 318 S CB 0.168 63.513 63.200 0.241 0.000 0.791 318 S HN 0.255 nan 8.310 nan 0.000 0.513 319 L N 0.502 121.910 121.223 0.307 0.000 2.455 319 L HA 0.656 5.460 4.340 0.774 0.000 0.264 319 L C -1.762 175.347 176.870 0.398 0.000 0.968 319 L CA -0.749 54.226 54.840 0.224 0.000 0.827 319 L CB 1.780 43.805 42.059 -0.056 0.000 1.317 319 L HN 0.092 nan 8.230 nan 0.000 0.407 320 C N 5.419 124.939 119.300 0.366 0.000 2.407 320 C HA 0.792 5.716 4.460 0.774 0.000 0.328 320 C C -0.834 174.261 174.990 0.175 0.000 1.137 320 C CA -0.463 58.833 59.018 0.463 0.000 1.390 320 C CB 0.363 28.427 27.740 0.539 0.000 1.989 320 C HN 0.622 nan 8.230 nan 0.000 0.432 321 V N 6.236 126.217 119.914 0.111 0.000 2.370 321 V HA 0.612 5.196 4.120 0.774 0.000 0.279 321 V C 0.765 176.840 176.094 -0.032 0.000 1.029 321 V CA -0.043 62.156 62.300 -0.169 0.000 0.870 321 V CB 1.352 33.108 31.823 -0.112 0.000 0.984 321 V HN 1.028 nan 8.190 nan 0.000 0.451 322 A N 4.339 127.147 122.820 -0.021 0.000 2.366 322 A HA 0.622 5.406 4.320 0.774 0.000 0.322 322 A C 0.681 178.319 177.584 0.090 0.000 1.397 322 A CA -0.301 51.777 52.037 0.069 0.000 0.984 322 A CB 0.056 19.145 19.000 0.149 0.000 1.149 322 A HN 0.898 nan 8.150 nan 0.000 0.540 323 T N -0.591 113.995 114.554 0.053 0.000 2.732 323 T HA 0.553 5.367 4.350 0.774 0.000 0.287 323 T C -0.513 174.271 174.700 0.140 0.000 0.993 323 T CA -0.283 61.886 62.100 0.116 0.000 0.966 323 T CB 1.097 70.040 68.868 0.125 0.000 1.047 323 T HN 0.464 nan 8.240 nan 0.000 0.527 324 D N -0.462 120.042 120.400 0.173 0.000 2.738 324 D HA 0.408 5.512 4.640 0.774 0.000 0.218 324 D C -1.138 175.265 176.300 0.172 0.000 1.345 324 D CA -0.485 53.604 54.000 0.149 0.000 0.943 324 D CB 1.615 42.459 40.800 0.073 0.000 1.514 324 D HN 0.546 nan 8.370 nan 0.000 0.585 325 V N 1.944 121.979 119.914 0.202 0.000 2.644 325 V HA 0.594 5.178 4.120 0.774 0.000 0.295 325 V C 0.535 176.729 176.094 0.167 0.000 1.053 325 V CA -0.744 61.676 62.300 0.201 0.000 0.987 325 V CB 1.628 33.616 31.823 0.276 0.000 1.006 325 V HN 0.594 nan 8.190 nan 0.000 0.472 326 S N 2.419 118.201 115.700 0.136 0.000 2.457 326 S HA 0.293 5.227 4.470 0.774 0.000 0.289 326 S C 0.262 175.043 174.600 0.302 0.000 1.163 326 S CA -0.352 57.947 58.200 0.164 0.000 1.078 326 S CB 0.186 63.457 63.200 0.118 0.000 0.987 326 S HN 0.920 nan 8.310 nan 0.000 0.482 327 D N 2.692 123.263 120.400 0.284 0.000 2.704 327 D HA -0.233 4.871 4.640 0.774 0.000 0.232 327 D C 0.722 177.245 176.300 0.373 0.000 1.183 327 D CA 1.116 55.295 54.000 0.297 0.000 0.647 327 D CB -1.165 39.810 40.800 0.292 0.000 1.013 327 D HN 0.978 nan 8.370 nan 0.000 0.415 328 H N 0.463 119.676 119.070 0.239 0.000 2.255 328 H HA -0.200 4.820 4.556 0.773 0.000 0.290 328 H C 1.385 176.860 175.328 0.246 0.000 1.087 328 H CA 2.911 59.103 56.048 0.240 0.000 1.213 328 H CB -0.015 29.852 29.762 0.175 0.000 1.349 328 H HN 0.251 nan 8.280 nan 0.000 0.487 329 D N -1.240 119.201 120.400 0.068 0.000 2.149 329 D HA -0.134 4.970 4.640 0.774 0.000 0.198 329 D C 2.251 178.528 176.300 -0.039 0.000 0.990 329 D CA 2.165 56.149 54.000 -0.026 0.000 0.839 329 D CB -0.449 40.372 40.800 0.034 0.000 0.948 329 D HN 0.702 nan 8.370 nan 0.000 0.460 330 T N -3.029 111.507 114.554 -0.030 0.000 3.088 330 T HA 0.023 4.837 4.350 0.774 0.000 0.259 330 T C 1.624 176.241 174.700 -0.138 0.000 1.122 330 T CA 0.244 62.277 62.100 -0.112 0.000 1.095 330 T CB -0.409 68.347 68.868 -0.188 0.000 0.930 330 T HN 0.099 nan 8.240 nan 0.000 0.508 331 F N -0.489 119.451 119.950 -0.017 0.000 2.619 331 F HA 0.377 5.370 4.527 0.777 0.000 0.293 331 F C 0.848 176.622 175.800 -0.043 0.000 1.119 331 F CA -1.562 56.429 58.000 -0.015 0.000 1.445 331 F CB 0.099 39.097 39.000 -0.004 0.000 1.119 331 F HN 0.162 nan 8.300 nan 0.000 0.573 332 W N 5.501 126.722 121.300 -0.131 0.000 2.493 332 W HA -0.031 5.092 4.660 0.773 0.000 0.337 332 W C -2.214 174.160 176.519 -0.242 0.000 1.234 332 W CA -1.410 55.779 57.345 -0.261 0.000 1.286 332 W CB 0.080 29.356 29.460 -0.307 0.000 1.188 332 W HN -0.163 nan 8.180 nan 0.000 0.564 333 P HA 0.097 nan 4.420 nan 0.000 0.287 333 P C 0.579 177.319 177.300 -0.934 0.000 1.294 333 P CA 0.218 62.771 63.100 -0.912 0.000 0.776 333 P CB 1.299 32.020 31.700 -1.633 0.000 0.889 334 G N 4.058 112.657 108.800 -0.336 0.000 2.462 334 G HA2 -0.233 4.191 3.960 0.774 0.000 0.220 334 G HA3 -0.233 4.191 3.960 0.774 0.000 0.220 334 G C 1.235 176.034 174.900 -0.168 0.000 1.121 334 G CA -0.014 45.008 45.100 -0.131 0.000 0.758 334 G HN 0.709 nan 8.290 nan 0.000 0.559 335 W N 0.002 121.175 121.300 -0.213 0.000 2.425 335 W HA 0.094 5.216 4.660 0.770 0.000 0.277 335 W C 1.614 177.948 176.519 -0.309 0.000 1.231 335 W CA 0.279 57.500 57.345 -0.207 0.000 1.248 335 W CB -0.904 28.448 29.460 -0.181 0.000 1.117 335 W HN 0.152 nan 8.180 nan 0.000 0.568 336 L N 2.320 122.987 121.223 -0.927 0.000 2.141 336 L HA -0.088 4.716 4.340 0.774 0.000 0.209 336 L C 3.024 179.664 176.870 -0.383 0.000 1.094 336 L CA 1.998 56.285 54.840 -0.922 0.000 0.763 336 L CB -0.996 40.075 42.059 -1.646 0.000 0.908 336 L HN -0.020 nan 8.230 nan 0.000 0.437 337 R N -0.494 119.845 120.500 -0.269 0.000 2.080 337 R HA -0.188 4.616 4.340 0.774 0.000 0.236 337 R C 1.820 178.190 176.300 0.116 0.000 1.137 337 R CA 2.085 58.286 56.100 0.168 0.000 0.943 337 R CB -0.534 29.915 30.300 0.249 0.000 0.846 337 R HN 0.368 nan 8.270 nan 0.000 0.431 338 D N 0.989 121.428 120.400 0.064 0.000 2.117 338 D HA -0.191 4.913 4.640 0.774 0.000 0.197 338 D C 1.998 178.334 176.300 0.061 0.000 0.987 338 D CA 1.127 55.172 54.000 0.077 0.000 0.829 338 D CB -0.294 40.556 40.800 0.082 0.000 0.961 338 D HN 0.283 nan 8.370 nan 0.000 0.460 339 L N 0.672 121.928 121.223 0.055 0.000 1.989 339 L HA -0.169 4.635 4.340 0.774 0.000 0.211 339 L C 2.406 179.280 176.870 0.007 0.000 1.071 339 L CA 1.117 55.983 54.840 0.044 0.000 0.749 339 L CB -0.199 41.900 42.059 0.067 0.000 0.890 339 L HN -0.030 nan 8.230 nan 0.000 0.431 340 I N -0.821 119.744 120.570 -0.007 0.000 2.151 340 I HA -0.422 4.212 4.170 0.774 0.000 0.243 340 I C 2.670 178.714 176.117 -0.121 0.000 1.080 340 I CA 1.604 62.864 61.300 -0.067 0.000 1.339 340 I CB -0.582 37.413 38.000 -0.007 0.000 1.039 340 I HN 0.478 nan 8.210 nan 0.000 0.409 341 C N 0.520 119.815 119.300 -0.009 0.000 2.413 341 C HA -0.220 4.704 4.460 0.774 0.000 0.276 341 C C 2.621 177.593 174.990 -0.029 0.000 1.236 341 C CA 1.459 60.477 59.018 -0.000 0.000 1.735 341 C CB -1.051 26.748 27.740 0.099 0.000 2.031 341 C HN 0.584 nan 8.230 nan 0.000 0.474 342 D N 0.500 120.898 120.400 -0.004 0.000 2.104 342 D HA -0.176 4.928 4.640 0.774 0.000 0.194 342 D C 2.081 178.365 176.300 -0.026 0.000 0.994 342 D CA 1.683 55.683 54.000 -0.000 0.000 0.830 342 D CB -0.252 40.557 40.800 0.016 0.000 0.959 342 D HN 0.370 nan 8.370 nan 0.000 0.452 343 E N -0.111 120.060 120.200 -0.047 0.000 2.110 343 E HA -0.096 4.718 4.350 0.774 0.000 0.193 343 E C 2.208 178.741 176.600 -0.112 0.000 0.988 343 E CA 0.701 57.066 56.400 -0.059 0.000 0.804 343 E CB -0.425 29.241 29.700 -0.055 0.000 0.745 343 E HN 0.409 nan 8.360 nan 0.000 0.458 344 L N -0.284 120.809 121.223 -0.216 0.000 2.046 344 L HA -0.187 4.617 4.340 0.774 0.000 0.208 344 L C 2.388 179.189 176.870 -0.115 0.000 1.077 344 L CA 0.975 55.605 54.840 -0.351 0.000 0.747 344 L CB -0.353 41.370 42.059 -0.561 0.000 0.896 344 L HN 0.229 nan 8.230 nan 0.000 0.432 345 L N -0.542 120.655 121.223 -0.043 0.000 2.093 345 L HA -0.204 4.600 4.340 0.774 0.000 0.208 345 L C 2.344 179.231 176.870 0.028 0.000 1.085 345 L CA 0.913 55.766 54.840 0.022 0.000 0.755 345 L CB -0.638 41.435 42.059 0.023 0.000 0.904 345 L HN 0.331 nan 8.230 nan 0.000 0.435 346 N N 0.217 118.924 118.700 0.011 0.000 2.084 346 N HA -0.181 5.023 4.740 0.774 0.000 0.190 346 N C 1.850 177.380 175.510 0.034 0.000 1.030 346 N CA 1.525 54.586 53.050 0.019 0.000 0.849 346 N CB -0.348 38.146 38.487 0.011 0.000 1.012 346 N HN 0.324 nan 8.380 nan 0.000 0.423 347 M N -0.473 119.153 119.600 0.044 0.000 2.435 347 M HA -0.031 4.913 4.480 0.774 0.000 0.262 347 M C 0.767 177.132 176.300 0.108 0.000 1.065 347 M CA 1.258 56.611 55.300 0.088 0.000 1.076 347 M CB -0.167 32.511 32.600 0.129 0.000 1.403 347 M HN 0.344 nan 8.290 nan 0.000 0.454 348 G N -0.207 108.655 108.800 0.104 0.000 2.173 348 G HA2 -0.231 4.193 3.960 0.774 0.000 0.174 348 G HA3 -0.231 4.193 3.960 0.774 0.000 0.174 348 G C -0.492 174.423 174.900 0.025 0.000 1.025 348 G CA -0.787 44.344 45.100 0.052 0.000 0.706 348 G HN 0.453 nan 8.290 nan 0.000 0.499 349 Y N 0.856 121.078 120.300 -0.131 0.000 2.335 349 Y HA 0.481 5.495 4.550 0.774 0.000 0.331 349 Y C 1.293 177.054 175.900 -0.231 0.000 1.094 349 Y CA -0.056 57.917 58.100 -0.212 0.000 1.253 349 Y CB 1.252 39.585 38.460 -0.212 0.000 1.203 349 Y HN 0.584 nan 8.280 nan 0.000 0.508 350 A N 6.880 129.516 122.820 -0.307 0.000 2.583 350 A HA -0.051 4.733 4.320 0.774 0.000 0.249 350 A C -1.713 175.638 177.584 -0.387 0.000 1.035 350 A CA -0.880 50.879 52.037 -0.464 0.000 0.777 350 A CB -0.251 18.129 19.000 -1.034 0.000 0.942 350 A HN 0.667 nan 8.150 nan 0.000 0.516 351 P HA -0.224 nan 4.420 nan 0.000 0.215 351 P C 1.722 179.047 177.300 0.042 0.000 1.163 351 P CA 2.220 65.319 63.100 -0.001 0.000 0.894 351 P CB -0.231 31.518 31.700 0.082 0.000 0.791 352 W N -1.558 119.827 121.300 0.142 0.000 2.321 352 W HA -0.196 4.929 4.660 0.775 0.000 0.306 352 W C 2.070 178.706 176.519 0.195 0.000 1.217 352 W CA 0.677 58.099 57.345 0.128 0.000 1.257 352 W CB -2.022 27.496 29.460 0.096 0.000 1.145 352 W HN 0.087 nan 8.180 nan 0.000 0.509 353 W N 2.022 123.012 121.300 -0.518 0.000 2.381 353 W HA -0.128 4.995 4.660 0.773 0.000 0.301 353 W C 2.474 178.991 176.519 -0.003 0.000 1.205 353 W CA 2.731 59.907 57.345 -0.281 0.000 1.285 353 W CB -0.609 28.401 29.460 -0.750 0.000 1.133 353 W HN -0.282 nan 8.180 nan 0.000 0.521 354 V N 1.220 121.308 119.914 0.289 0.000 2.407 354 V HA -0.295 4.289 4.120 0.774 0.000 0.248 354 V C 2.310 178.464 176.094 0.100 0.000 1.055 354 V CA 2.212 64.654 62.300 0.236 0.000 1.049 354 V CB -0.920 31.015 31.823 0.186 0.000 0.662 354 V HN 0.061 nan 8.190 nan 0.000 0.455 355 K N 0.326 120.790 120.400 0.105 0.000 2.097 355 K HA -0.118 4.666 4.320 0.774 0.000 0.206 355 K C 1.869 178.513 176.600 0.072 0.000 1.049 355 K CA 1.575 57.931 56.287 0.115 0.000 0.933 355 K CB -0.481 32.105 32.500 0.143 0.000 0.717 355 K HN 0.414 nan 8.250 nan 0.000 0.442 356 L N -0.676 120.546 121.223 -0.001 0.000 1.994 356 L HA -0.136 4.668 4.340 0.774 0.000 0.208 356 L C 2.235 179.001 176.870 -0.173 0.000 1.071 356 L CA 1.465 56.260 54.840 -0.076 0.000 0.745 356 L CB -0.587 41.385 42.059 -0.144 0.000 0.892 356 L HN 0.145 nan 8.230 nan 0.000 0.431 357 F N 1.011 120.653 119.950 -0.513 0.000 2.091 357 F HA -0.299 4.692 4.527 0.773 0.000 0.299 357 F C 2.632 178.330 175.800 -0.170 0.000 1.103 357 F CA 2.169 59.896 58.000 -0.455 0.000 1.228 357 F CB -0.200 38.414 39.000 -0.643 0.000 0.984 357 F HN 0.157 nan 8.300 nan 0.000 0.477 358 E N -0.512 119.695 120.200 0.011 0.000 2.007 358 E HA -0.226 4.588 4.350 0.774 0.000 0.194 358 E C 2.046 178.609 176.600 -0.063 0.000 0.999 358 E CA 2.201 58.604 56.400 0.005 0.000 0.811 358 E CB -0.457 29.299 29.700 0.094 0.000 0.762 358 E HN 0.389 nan 8.360 nan 0.000 0.450 359 T N 0.655 115.206 114.554 -0.004 0.000 2.685 359 T HA -0.257 4.557 4.350 0.774 0.000 0.268 359 T C 2.066 176.728 174.700 -0.064 0.000 1.034 359 T CA 1.877 63.977 62.100 -0.001 0.000 1.149 359 T CB -0.604 68.333 68.868 0.115 0.000 0.860 359 T HN 0.366 nan 8.240 nan 0.000 0.449 360 S N 1.088 116.714 115.700 -0.123 0.000 2.440 360 S HA -0.001 4.934 4.470 0.774 0.000 0.238 360 S C 1.679 176.242 174.600 -0.061 0.000 1.010 360 S CA 0.769 58.899 58.200 -0.117 0.000 0.972 360 S CB -0.569 62.501 63.200 -0.217 0.000 0.774 360 S HN 0.540 nan 8.310 nan 0.000 0.501 361 L N 0.578 121.702 121.223 -0.164 0.000 2.628 361 L HA 0.327 5.132 4.340 0.774 0.000 0.229 361 L C 1.091 177.931 176.870 -0.050 0.000 1.137 361 L CA 0.055 54.809 54.840 -0.144 0.000 0.909 361 L CB 0.041 41.974 42.059 -0.210 0.000 1.137 361 L HN 0.453 nan 8.230 nan 0.000 0.470 362 K N -1.134 119.251 120.400 -0.025 0.000 2.644 362 K HA 0.257 5.041 4.320 0.774 0.000 0.198 362 K C -0.170 176.419 176.600 -0.018 0.000 1.113 362 K CA -0.580 55.695 56.287 -0.020 0.000 1.073 362 K CB 0.648 33.129 32.500 -0.033 0.000 0.811 362 K HN -0.044 nan 8.250 nan 0.000 0.508 363 L N 2.865 124.115 121.223 0.045 0.000 2.452 363 L HA 0.272 5.076 4.340 0.774 0.000 0.267 363 L C -2.347 174.583 176.870 0.101 0.000 1.188 363 L CA -1.536 53.334 54.840 0.050 0.000 0.821 363 L CB 0.353 42.464 42.059 0.086 0.000 1.102 363 L HN 0.000 nan 8.230 nan 0.000 0.470 364 P HA 0.235 nan 4.420 nan 0.000 0.273 364 P C -1.615 175.777 177.300 0.153 0.000 1.250 364 P CA -0.267 62.883 63.100 0.084 0.000 0.793 364 P CB 0.767 32.495 31.700 0.047 0.000 1.011 365 V N -1.421 118.590 119.914 0.162 0.000 2.709 365 V HA 0.504 5.089 4.120 0.774 0.000 0.308 365 V C -1.517 174.697 176.094 0.199 0.000 1.062 365 V CA -1.008 61.399 62.300 0.178 0.000 0.901 365 V CB 1.610 33.491 31.823 0.097 0.000 1.003 365 V HN 0.418 nan 8.190 nan 0.000 0.425 366 Y N 4.092 124.455 120.300 0.106 0.000 2.404 366 Y HA 0.689 5.703 4.550 0.774 0.000 0.344 366 Y C -0.118 175.764 175.900 -0.029 0.000 0.970 366 Y CA -0.527 57.651 58.100 0.130 0.000 1.180 366 Y CB 1.481 40.102 38.460 0.268 0.000 1.138 366 Y HN 0.699 nan 8.280 nan 0.000 0.510 367 V N 7.917 127.477 119.914 -0.589 0.000 2.432 367 V HA 0.228 4.812 4.120 0.774 0.000 0.271 367 V C 0.904 176.495 176.094 -0.839 0.000 1.046 367 V CA 0.627 62.536 62.300 -0.653 0.000 0.945 367 V CB 0.748 32.126 31.823 -0.742 0.000 0.992 367 V HN 1.082 nan 8.190 nan 0.000 0.471 368 G N 3.935 112.378 108.800 -0.595 0.000 2.561 368 G HA2 0.350 4.775 3.960 0.774 0.000 0.208 368 G HA3 0.350 4.775 3.960 0.774 0.000 0.208 368 G C 0.324 174.918 174.900 -0.510 0.000 1.510 368 G CA 0.548 45.385 45.100 -0.440 0.000 0.941 368 G HN 1.058 nan 8.290 nan 0.000 0.478 369 A N 0.449 123.156 122.820 -0.188 0.000 2.815 369 A HA 0.641 5.425 4.320 0.774 0.000 0.318 369 A C -1.456 176.158 177.584 0.049 0.000 1.186 369 A CA -0.831 51.154 52.037 -0.088 0.000 0.754 369 A CB 1.434 20.482 19.000 0.079 0.000 1.151 369 A HN 0.254 nan 8.150 nan 0.000 0.452 370 P HA 0.083 nan 4.420 nan 0.000 0.223 370 P C 0.515 177.677 177.300 -0.229 0.000 1.151 370 P CA 1.738 64.574 63.100 -0.441 0.000 0.787 370 P CB 0.374 31.754 31.700 -0.533 0.000 0.788 371 A N -1.539 121.211 122.820 -0.117 0.000 2.566 371 A HA 0.602 5.386 4.320 0.774 0.000 0.290 371 A C -3.162 174.237 177.584 -0.307 0.000 1.071 371 A CA -1.507 50.283 52.037 -0.411 0.000 0.658 371 A CB 0.272 19.104 19.000 -0.280 0.000 1.285 371 A HN -0.262 nan 8.150 nan 0.000 0.427 372 P HA 0.356 nan 4.420 nan 0.000 0.266 372 P C -0.474 176.816 177.300 -0.018 0.000 1.195 372 P CA 1.155 64.168 63.100 -0.145 0.000 0.768 372 P CB 0.325 31.909 31.700 -0.194 0.000 0.838 373 E N -0.294 119.953 120.200 0.080 0.000 2.476 373 E HA -0.244 4.571 4.350 0.774 0.000 0.251 373 E C -0.552 176.115 176.600 0.110 0.000 1.130 373 E CA 1.265 57.716 56.400 0.086 0.000 0.736 373 E CB -1.711 28.014 29.700 0.042 0.000 1.298 373 E HN 0.499 nan 8.360 nan 0.000 0.400 374 Q N -1.537 118.355 119.800 0.153 0.000 2.435 374 Q HA 0.612 5.416 4.340 0.774 0.000 0.282 374 Q C 0.372 176.446 176.000 0.123 0.000 1.020 374 Q CA -0.447 55.464 55.803 0.181 0.000 0.820 374 Q CB 2.390 31.232 28.738 0.173 0.000 1.436 374 Q HN 0.312 nan 8.270 nan 0.000 0.395 375 G N 0.305 109.201 108.800 0.160 0.000 2.418 375 G HA2 -0.216 4.208 3.960 0.774 0.000 0.206 375 G HA3 -0.216 4.208 3.960 0.774 0.000 0.206 375 G C -0.959 173.884 174.900 -0.095 0.000 1.202 375 G CA 0.003 44.995 45.100 -0.180 0.000 1.061 375 G HN 0.936 nan 8.290 nan 0.000 0.563 376 H N -0.354 118.654 119.070 -0.102 0.000 2.604 376 H HA -0.039 4.982 4.556 0.774 0.000 0.321 376 H C 0.183 175.532 175.328 0.036 0.000 1.132 376 H CA 1.350 57.398 56.048 -0.001 0.000 1.129 376 H CB -1.747 28.097 29.762 0.137 0.000 1.526 376 H HN 0.756 nan 8.280 nan 0.000 0.415 377 T N 0.701 115.167 114.554 -0.146 0.000 2.912 377 T HA 0.476 5.290 4.350 0.774 0.000 0.299 377 T C -0.472 174.281 174.700 0.089 0.000 1.052 377 T CA -0.883 61.307 62.100 0.150 0.000 0.996 377 T CB 2.078 71.170 68.868 0.374 0.000 1.070 377 T HN 0.232 nan 8.240 nan 0.000 0.465 378 L N 3.977 125.429 121.223 0.380 0.000 2.282 378 L HA 0.642 5.447 4.340 0.774 0.000 0.288 378 L C -1.250 175.884 176.870 0.441 0.000 1.033 378 L CA -0.462 54.647 54.840 0.448 0.000 0.807 378 L CB 0.436 42.810 42.059 0.525 0.000 1.209 378 L HN 0.575 nan 8.230 nan 0.000 0.423 379 L N 5.926 127.350 121.223 0.334 0.000 2.289 379 L HA 0.772 5.577 4.340 0.774 0.000 0.285 379 L C 0.670 177.685 176.870 0.241 0.000 1.049 379 L CA -0.430 54.575 54.840 0.275 0.000 0.804 379 L CB 0.980 43.172 42.059 0.221 0.000 1.195 379 L HN 0.932 nan 8.230 nan 0.000 0.428 380 G N 2.185 111.128 108.800 0.239 0.000 2.722 380 G HA2 -0.197 4.227 3.960 0.774 0.000 0.686 380 G HA3 -0.197 4.227 3.960 0.774 0.000 0.686 380 G C -0.944 174.134 174.900 0.297 0.000 1.282 380 G CA -0.770 44.454 45.100 0.205 0.000 0.817 380 G HN 0.745 nan 8.290 nan 0.000 0.605 381 D N 2.289 122.826 120.400 0.228 0.000 2.313 381 D HA 0.503 5.607 4.640 0.774 0.000 0.239 381 D C -0.801 175.471 176.300 -0.046 0.000 1.142 381 D CA -2.313 51.764 54.000 0.129 0.000 0.847 381 D CB 1.438 42.354 40.800 0.193 0.000 1.082 381 D HN 0.032 nan 8.370 nan 0.000 0.480 382 P HA -0.069 nan 4.420 nan 0.000 0.221 382 P C 1.035 178.251 177.300 -0.140 0.000 1.145 382 P CA 0.738 63.727 63.100 -0.186 0.000 0.795 382 P CB 0.351 31.880 31.700 -0.285 0.000 0.775 383 S N -1.613 114.037 115.700 -0.082 0.000 2.423 383 S HA -0.056 4.878 4.470 0.774 0.000 0.231 383 S C 1.035 175.646 174.600 0.018 0.000 1.014 383 S CA 0.888 59.099 58.200 0.019 0.000 0.965 383 S CB -0.438 62.781 63.200 0.032 0.000 0.785 383 S HN 0.175 nan 8.310 nan 0.000 0.495 384 N N 1.085 119.714 118.700 -0.119 0.000 2.722 384 N HA 0.246 5.450 4.740 0.774 0.000 0.242 384 N C -3.361 171.969 175.510 -0.301 0.000 1.398 384 N CA -1.261 51.649 53.050 -0.233 0.000 0.755 384 N CB 1.220 39.684 38.487 -0.038 0.000 1.268 384 N HN -0.015 nan 8.380 nan 0.000 0.522 385 P HA 0.028 nan 4.420 nan 0.000 0.255 385 P C -0.318 176.849 177.300 -0.222 0.000 1.173 385 P CA 0.469 63.359 63.100 -0.350 0.000 0.780 385 P CB 0.189 31.603 31.700 -0.478 0.000 0.758 386 D N 1.818 122.152 120.400 -0.109 0.000 2.822 386 D HA 0.117 5.222 4.640 0.774 0.000 0.327 386 D C -0.289 175.998 176.300 -0.022 0.000 1.577 386 D CA -0.242 53.724 54.000 -0.056 0.000 0.785 386 D CB -0.665 40.112 40.800 -0.037 0.000 1.199 386 D HN 0.018 nan 8.370 nan 0.000 0.443 387 L N 0.585 121.797 121.223 -0.019 0.000 2.456 387 L HA 0.473 5.278 4.340 0.774 0.000 0.257 387 L C 0.496 177.366 176.870 0.001 0.000 1.162 387 L CA 0.306 55.146 54.840 -0.001 0.000 0.808 387 L CB 0.822 42.888 42.059 0.011 0.000 1.136 387 L HN 0.014 nan 8.230 nan 0.000 0.466 388 E N 1.349 121.551 120.200 0.003 0.000 3.666 388 E HA 0.146 4.961 4.350 0.774 0.000 0.230 388 E C 0.335 176.935 176.600 0.000 0.000 1.235 388 E CA 0.063 56.470 56.400 0.012 0.000 1.096 388 E CB 0.946 30.658 29.700 0.019 0.000 1.287 388 E HN 0.453 nan 8.360 nan 0.000 0.406 389 V N -1.431 118.472 119.914 -0.019 0.000 3.623 389 V HA 0.386 4.970 4.120 0.774 0.000 0.271 389 V C 1.045 177.110 176.094 -0.049 0.000 1.248 389 V CA 0.806 63.079 62.300 -0.046 0.000 1.156 389 V CB -0.449 31.323 31.823 -0.084 0.000 0.870 389 V HN 0.535 nan 8.190 nan 0.000 0.453 390 G N 0.552 109.356 108.800 0.007 0.000 2.545 390 G HA2 -0.196 4.228 3.960 0.774 0.000 0.240 390 G HA3 -0.196 4.228 3.960 0.774 0.000 0.240 390 G C -0.487 174.394 174.900 -0.032 0.000 1.172 390 G CA -0.106 45.044 45.100 0.083 0.000 0.949 390 G HN 0.454 nan 8.290 nan 0.000 0.574 391 L N 1.085 122.197 121.223 -0.185 0.000 2.312 391 L HA 0.598 5.402 4.340 0.774 0.000 0.281 391 L C 0.513 177.179 176.870 -0.339 0.000 1.070 391 L CA -0.244 54.332 54.840 -0.440 0.000 0.805 391 L CB 1.635 43.385 42.059 -0.514 0.000 1.174 391 L HN 0.572 nan 8.230 nan 0.000 0.434 392 S N 0.587 116.032 115.700 -0.425 0.000 2.520 392 S HA 0.128 5.062 4.470 0.774 0.000 0.324 392 S C 1.092 175.454 174.600 -0.398 0.000 1.069 392 S CA -0.413 57.472 58.200 -0.525 0.000 1.121 392 S CB 1.096 63.711 63.200 -0.975 0.000 0.971 392 S HN 0.791 nan 8.310 nan 0.000 0.463 393 S N 4.261 119.809 115.700 -0.252 0.000 2.381 393 S HA -0.167 4.767 4.470 0.774 0.000 0.230 393 S C 1.920 176.491 174.600 -0.048 0.000 1.052 393 S CA 1.761 59.887 58.200 -0.123 0.000 1.068 393 S CB -1.215 61.944 63.200 -0.069 0.000 0.918 393 S HN 0.878 nan 8.310 nan 0.000 0.448 394 G N 1.139 109.939 108.800 -0.001 0.000 2.776 394 G HA2 -0.006 4.418 3.960 0.774 0.000 0.209 394 G HA3 -0.006 4.418 3.960 0.774 0.000 0.209 394 G C 0.545 175.571 174.900 0.210 0.000 1.145 394 G CA -0.102 45.089 45.100 0.153 0.000 0.791 394 G HN 0.575 nan 8.290 nan 0.000 0.530 395 Q N 0.430 120.312 119.800 0.136 0.000 2.395 395 Q HA 0.104 4.909 4.340 0.774 0.000 0.271 395 Q C 1.725 177.774 176.000 0.082 0.000 1.026 395 Q CA 0.440 56.315 55.803 0.120 0.000 0.900 395 Q CB 1.108 29.818 28.738 -0.047 0.000 1.266 395 Q HN 0.135 nan 8.270 nan 0.000 0.430 396 G N 2.588 111.445 108.800 0.095 0.000 2.462 396 G HA2 -0.176 4.248 3.960 0.774 0.000 0.220 396 G HA3 -0.176 4.248 3.960 0.774 0.000 0.220 396 G C 0.717 175.708 174.900 0.152 0.000 1.121 396 G CA 0.906 46.087 45.100 0.135 0.000 0.758 396 G HN 0.642 nan 8.290 nan 0.000 0.559 397 A N -0.084 122.823 122.820 0.146 0.000 2.610 397 A HA 0.429 5.213 4.320 0.774 0.000 0.291 397 A C 1.995 179.623 177.584 0.073 0.000 1.116 397 A CA 1.043 53.183 52.037 0.171 0.000 0.963 397 A CB -0.276 18.946 19.000 0.369 0.000 1.220 397 A HN 0.231 nan 8.150 nan 0.000 0.530 398 T N 0.401 114.948 114.554 -0.012 0.000 2.680 398 T HA -0.307 4.508 4.350 0.774 0.000 0.268 398 T C 1.505 176.177 174.700 -0.045 0.000 1.033 398 T CA 1.908 63.948 62.100 -0.100 0.000 1.152 398 T CB -0.630 68.172 68.868 -0.110 0.000 0.859 398 T HN 0.654 nan 8.240 nan 0.000 0.452 399 D N 1.966 122.374 120.400 0.015 0.000 2.144 399 D HA -0.089 5.015 4.640 0.774 0.000 0.199 399 D C 2.161 178.482 176.300 0.035 0.000 0.984 399 D CA 0.823 54.843 54.000 0.033 0.000 0.834 399 D CB -0.797 40.040 40.800 0.062 0.000 0.955 399 D HN 0.420 nan 8.370 nan 0.000 0.465 400 L N -0.618 120.630 121.223 0.042 0.000 2.056 400 L HA -0.098 4.706 4.340 0.774 0.000 0.207 400 L C 2.734 179.691 176.870 0.145 0.000 1.078 400 L CA 0.810 55.680 54.840 0.050 0.000 0.749 400 L CB -0.386 41.722 42.059 0.081 0.000 0.901 400 L HN -0.018 nan 8.230 nan 0.000 0.433 401 M N -0.330 119.362 119.600 0.153 0.000 2.108 401 M HA -0.121 4.823 4.480 0.774 0.000 0.261 401 M C 2.358 178.879 176.300 0.369 0.000 1.066 401 M CA 1.887 57.325 55.300 0.230 0.000 1.107 401 M CB -1.805 30.674 32.600 -0.202 0.000 1.356 401 M HN 0.301 nan 8.290 nan 0.000 0.406 402 G N -0.511 108.412 108.800 0.205 0.000 2.402 402 G HA2 -0.162 4.262 3.960 0.774 0.000 0.216 402 G HA3 -0.162 4.262 3.960 0.774 0.000 0.216 402 G C 1.569 176.652 174.900 0.305 0.000 1.162 402 G CA 1.365 46.690 45.100 0.375 0.000 0.777 402 G HN 0.408 nan 8.290 nan 0.000 0.539 403 T N 1.537 116.201 114.554 0.182 0.000 2.737 403 T HA -0.080 4.734 4.350 0.774 0.000 0.265 403 T C 2.219 177.058 174.700 0.232 0.000 1.038 403 T CA 0.937 63.130 62.100 0.156 0.000 1.144 403 T CB -0.276 68.559 68.868 -0.055 0.000 0.866 403 T HN 0.071 nan 8.240 nan 0.000 0.434 404 L N 1.567 122.928 121.223 0.229 0.000 1.990 404 L HA -0.072 4.732 4.340 0.774 0.000 0.213 404 L C 2.304 179.413 176.870 0.398 0.000 1.072 404 L CA 1.858 56.901 54.840 0.339 0.000 0.755 404 L CB -1.528 40.735 42.059 0.341 0.000 0.889 404 L HN 0.270 nan 8.230 nan 0.000 0.432 405 L N -0.267 121.178 121.223 0.371 0.000 1.943 405 L HA -0.246 4.558 4.340 0.774 0.000 0.215 405 L C 2.511 179.550 176.870 0.282 0.000 1.074 405 L CA 2.165 57.165 54.840 0.267 0.000 0.759 405 L CB -0.652 41.525 42.059 0.196 0.000 0.888 405 L HN 0.217 nan 8.230 nan 0.000 0.433 406 M N -0.770 118.988 119.600 0.263 0.000 2.108 406 M HA -0.175 4.769 4.480 0.774 0.000 0.261 406 M C 2.620 178.949 176.300 0.047 0.000 1.066 406 M CA 1.921 57.242 55.300 0.036 0.000 1.107 406 M CB -1.936 30.739 32.600 0.125 0.000 1.356 406 M HN 0.556 nan 8.290 nan 0.000 0.406 407 S N 0.736 116.682 115.700 0.411 0.000 2.353 407 S HA -0.114 4.820 4.470 0.774 0.000 0.222 407 S C 1.900 176.801 174.600 0.501 0.000 1.035 407 S CA 1.087 59.666 58.200 0.632 0.000 1.025 407 S CB -0.049 63.647 63.200 0.827 0.000 0.902 407 S HN 0.295 nan 8.310 nan 0.000 0.440 408 I N 1.662 122.463 120.570 0.385 0.000 2.286 408 I HA -0.102 4.533 4.170 0.774 0.000 0.248 408 I C 2.458 178.584 176.117 0.014 0.000 1.115 408 I CA 1.411 62.780 61.300 0.115 0.000 1.392 408 I CB -2.116 35.821 38.000 -0.106 0.000 1.065 408 I HN 0.344 nan 8.210 nan 0.000 0.418 409 T N 0.562 115.162 114.554 0.075 0.000 2.684 409 T HA -0.202 4.612 4.350 0.774 0.000 0.267 409 T C 1.872 176.608 174.700 0.061 0.000 1.036 409 T CA 1.568 63.715 62.100 0.078 0.000 1.148 409 T CB -0.362 68.504 68.868 -0.003 0.000 0.863 409 T HN 0.187 nan 8.240 nan 0.000 0.436 410 Y N 0.972 121.414 120.300 0.236 0.000 2.200 410 Y HA 0.063 5.073 4.550 0.768 0.000 0.290 410 Y C 2.214 178.197 175.900 0.139 0.000 1.137 410 Y CA -0.037 58.180 58.100 0.196 0.000 1.163 410 Y CB -1.078 37.500 38.460 0.197 0.000 0.988 410 Y HN 0.098 nan 8.280 nan 0.000 0.518 411 L N -0.422 120.958 121.223 0.261 0.000 2.079 411 L HA -0.162 4.642 4.340 0.774 0.000 0.210 411 L C 2.105 178.964 176.870 -0.018 0.000 1.081 411 L CA 1.468 56.310 54.840 0.004 0.000 0.752 411 L CB -0.922 41.033 42.059 -0.172 0.000 0.896 411 L HN 0.061 nan 8.230 nan 0.000 0.433 412 V N -0.550 119.384 119.914 0.032 0.000 2.307 412 V HA -0.324 4.260 4.120 0.774 0.000 0.245 412 V C 2.643 178.805 176.094 0.113 0.000 1.045 412 V CA 2.164 64.489 62.300 0.041 0.000 1.024 412 V CB -0.435 31.444 31.823 0.094 0.000 0.651 412 V HN 0.486 nan 8.190 nan 0.000 0.449 413 M N -0.851 118.872 119.600 0.206 0.000 2.106 413 M HA -0.309 4.635 4.480 0.774 0.000 0.259 413 M C 2.370 178.877 176.300 0.343 0.000 1.068 413 M CA 2.015 57.508 55.300 0.320 0.000 1.100 413 M CB -0.361 32.444 32.600 0.343 0.000 1.351 413 M HN 0.442 nan 8.290 nan 0.000 0.404 414 Q N -0.116 119.837 119.800 0.256 0.000 2.016 414 Q HA -0.154 4.650 4.340 0.774 0.000 0.200 414 Q C 2.091 178.188 176.000 0.162 0.000 0.978 414 Q CA 1.308 57.271 55.803 0.267 0.000 0.833 414 Q CB -0.217 28.568 28.738 0.079 0.000 0.895 414 Q HN 0.527 nan 8.270 nan 0.000 0.427 415 L N 0.899 122.139 121.223 0.029 0.000 1.971 415 L HA -0.271 4.533 4.340 0.774 0.000 0.215 415 L C 2.046 178.889 176.870 -0.045 0.000 1.072 415 L CA 1.327 56.131 54.840 -0.060 0.000 0.758 415 L CB -0.700 41.285 42.059 -0.124 0.000 0.889 415 L HN 0.249 nan 8.230 nan 0.000 0.433 416 D N -0.774 119.596 120.400 -0.050 0.000 2.103 416 D HA -0.208 4.896 4.640 0.774 0.000 0.190 416 D C 2.050 178.210 176.300 -0.233 0.000 0.997 416 D CA 1.555 55.447 54.000 -0.179 0.000 0.833 416 D CB -0.324 40.305 40.800 -0.284 0.000 0.961 416 D HN 0.450 nan 8.370 nan 0.000 0.447 417 H N -1.560 117.553 119.070 0.071 0.000 2.553 417 H HA 0.160 5.171 4.556 0.759 0.000 0.265 417 H C 1.271 176.650 175.328 0.085 0.000 0.964 417 H CA 1.401 57.494 56.048 0.074 0.000 1.156 417 H CB 0.716 30.530 29.762 0.087 0.000 1.411 417 H HN 0.278 nan 8.280 nan 0.000 0.558 418 T N -3.838 110.847 114.554 0.218 0.000 3.252 418 T HA 0.425 5.239 4.350 0.774 0.000 0.295 418 T C 0.819 175.643 174.700 0.207 0.000 0.897 418 T CA 0.217 62.450 62.100 0.221 0.000 0.905 418 T CB 0.245 69.309 68.868 0.326 0.000 1.202 418 T HN 0.168 nan 8.240 nan 0.000 0.592 419 A N 2.239 125.095 122.820 0.060 0.000 2.897 419 A HA 0.581 5.365 4.320 0.774 0.000 0.230 419 A C -1.530 175.797 177.584 -0.428 0.000 0.896 419 A CA -0.647 51.249 52.037 -0.234 0.000 1.114 419 A CB 0.437 19.296 19.000 -0.235 0.000 1.230 419 A HN 0.241 nan 8.150 nan 0.000 0.481 420 P HA -0.272 nan 4.420 nan 0.000 0.217 420 P C 1.145 178.370 177.300 -0.125 0.000 1.148 420 P CA 1.816 64.849 63.100 -0.112 0.000 0.834 420 P CB -0.448 31.245 31.700 -0.012 0.000 0.783 421 H N -0.628 118.418 119.070 -0.040 0.000 2.543 421 H HA 0.012 4.980 4.556 0.686 0.000 0.286 421 H C 1.788 177.066 175.328 -0.083 0.000 1.037 421 H CA 0.588 56.609 56.048 -0.046 0.000 1.250 421 H CB -1.203 28.550 29.762 -0.016 0.000 1.373 421 H HN 0.225 nan 8.280 nan 0.000 0.580 422 L N 0.422 121.406 121.223 -0.397 0.000 2.509 422 L HA -0.012 4.792 4.340 0.774 0.000 0.222 422 L C 1.930 178.541 176.870 -0.433 0.000 1.123 422 L CA -0.033 54.575 54.840 -0.386 0.000 0.856 422 L CB -0.226 41.553 42.059 -0.466 0.000 0.985 422 L HN 0.114 nan 8.230 nan 0.000 0.456 423 N N 0.636 119.144 118.700 -0.320 0.000 2.094 423 N HA -0.205 4.999 4.740 0.774 0.000 0.191 423 N C 2.081 177.448 175.510 -0.237 0.000 1.023 423 N CA 1.942 54.826 53.050 -0.277 0.000 0.857 423 N CB -0.291 38.087 38.487 -0.182 0.000 1.013 423 N HN 0.396 nan 8.380 nan 0.000 0.426 424 S N 0.851 116.447 115.700 -0.173 0.000 2.419 424 S HA -0.047 4.887 4.470 0.774 0.000 0.235 424 S C 1.636 176.152 174.600 -0.141 0.000 1.019 424 S CA 0.608 58.734 58.200 -0.123 0.000 0.982 424 S CB -0.149 63.006 63.200 -0.075 0.000 0.789 424 S HN 0.238 nan 8.310 nan 0.000 0.490 425 R N 0.764 121.134 120.500 -0.217 0.000 2.280 425 R HA 0.258 5.062 4.340 0.774 0.000 0.207 425 R C 0.154 176.326 176.300 -0.213 0.000 1.043 425 R CA 0.485 56.458 56.100 -0.211 0.000 1.006 425 R CB -0.394 29.723 30.300 -0.305 0.000 0.885 425 R HN 0.529 nan 8.270 nan 0.000 0.467 426 I N 0.997 121.418 120.570 -0.250 0.000 2.503 426 I HA 0.170 4.804 4.170 0.774 0.000 0.277 426 I C 0.740 176.787 176.117 -0.118 0.000 1.078 426 I CA -0.114 61.076 61.300 -0.184 0.000 1.184 426 I CB 1.312 39.159 38.000 -0.254 0.000 1.353 426 I HN -0.182 nan 8.210 nan 0.000 0.490 427 K N 2.363 122.717 120.400 -0.076 0.000 2.350 427 K HA 0.151 4.935 4.320 0.774 0.000 0.196 427 K C -0.294 176.284 176.600 -0.037 0.000 1.084 427 K CA 0.422 56.676 56.287 -0.055 0.000 0.967 427 K CB 0.480 32.955 32.500 -0.043 0.000 0.950 427 K HN 0.682 nan 8.250 nan 0.000 0.512 428 D N -2.416 117.967 120.400 -0.028 0.000 2.768 428 D HA 0.109 5.214 4.640 0.774 0.000 0.327 428 D C 0.655 176.950 176.300 -0.008 0.000 1.302 428 D CA -0.713 53.278 54.000 -0.015 0.000 0.897 428 D CB 0.189 40.983 40.800 -0.009 0.000 1.420 428 D HN -0.373 nan 8.370 nan 0.000 0.494 429 M N -0.614 118.986 119.600 0.000 0.000 2.082 429 M HA -0.011 4.934 4.480 0.774 0.000 0.258 429 M C -0.984 175.323 176.300 0.012 0.000 1.071 429 M CA 1.830 57.134 55.300 0.007 0.000 1.103 429 M CB -2.461 30.147 32.600 0.013 0.000 1.307 429 M HN 0.390 nan 8.290 nan 0.000 0.409 430 P HA -0.129 nan 4.420 nan 0.000 0.214 430 P C 1.770 179.086 177.300 0.027 0.000 1.163 430 P CA 2.437 65.550 63.100 0.023 0.000 0.889 430 P CB -0.267 31.445 31.700 0.020 0.000 0.790 431 S N -0.768 114.944 115.700 0.019 0.000 2.382 431 S HA -0.129 4.805 4.470 0.774 0.000 0.228 431 S C 2.079 176.705 174.600 0.043 0.000 1.027 431 S CA 1.235 59.450 58.200 0.025 0.000 0.991 431 S CB -1.475 61.725 63.200 -0.001 0.000 0.823 431 S HN 0.113 nan 8.310 nan 0.000 0.469 432 A N 1.273 124.104 122.820 0.019 0.000 1.841 432 A HA -0.044 4.740 4.320 0.774 0.000 0.214 432 A C 2.575 180.175 177.584 0.026 0.000 1.195 432 A CA 1.459 53.510 52.037 0.023 0.000 0.611 432 A CB -1.607 17.385 19.000 -0.013 0.000 0.835 432 A HN 0.693 nan 8.150 nan 0.000 0.443 433 C N -1.066 118.235 119.300 0.002 0.000 2.388 433 C HA -0.157 4.767 4.460 0.774 0.000 0.277 433 C C 2.817 177.802 174.990 -0.008 0.000 1.210 433 C CA 1.290 60.297 59.018 -0.019 0.000 1.743 433 C CB -1.465 26.286 27.740 0.018 0.000 2.047 433 C HN 0.620 nan 8.230 nan 0.000 0.458 434 R N -0.523 120.001 120.500 0.039 0.000 2.133 434 R HA -0.230 4.574 4.340 0.774 0.000 0.245 434 R C 2.084 178.417 176.300 0.056 0.000 1.137 434 R CA 2.326 58.462 56.100 0.060 0.000 0.947 434 R CB -0.756 29.590 30.300 0.076 0.000 0.865 434 R HN 0.612 nan 8.270 nan 0.000 0.437 435 F N 1.211 121.127 119.950 -0.057 0.000 2.069 435 F HA -0.228 4.748 4.527 0.748 0.000 0.298 435 F C 2.065 177.798 175.800 -0.112 0.000 1.113 435 F CA 1.446 59.401 58.000 -0.076 0.000 1.214 435 F CB -0.576 38.355 39.000 -0.115 0.000 0.978 435 F HN -0.026 nan 8.300 nan 0.000 0.474 436 L N 0.987 122.010 121.223 -0.333 0.000 2.046 436 L HA -0.218 4.586 4.340 0.774 0.000 0.208 436 L C 2.299 178.821 176.870 -0.581 0.000 1.077 436 L CA 2.442 56.919 54.840 -0.604 0.000 0.747 436 L CB -1.288 40.385 42.059 -0.643 0.000 0.896 436 L HN 0.421 nan 8.230 nan 0.000 0.432 437 D N -1.747 118.475 120.400 -0.297 0.000 2.178 437 D HA -0.199 4.905 4.640 0.774 0.000 0.202 437 D C 1.986 178.309 176.300 0.038 0.000 0.974 437 D CA 1.297 55.277 54.000 -0.033 0.000 0.841 437 D CB 0.257 41.150 40.800 0.155 0.000 0.953 437 D HN 0.451 nan 8.370 nan 0.000 0.478 438 S N -1.256 114.392 115.700 -0.085 0.000 2.377 438 S HA -0.147 4.787 4.470 0.774 0.000 0.223 438 S C 2.032 176.531 174.600 -0.170 0.000 1.030 438 S CA 0.505 58.674 58.200 -0.052 0.000 0.970 438 S CB -0.693 62.495 63.200 -0.021 0.000 0.830 438 S HN 0.482 nan 8.310 nan 0.000 0.473 439 Y N 0.374 120.368 120.300 -0.510 0.000 2.128 439 Y HA -0.169 4.836 4.550 0.757 0.000 0.284 439 Y C 1.911 177.668 175.900 -0.238 0.000 1.154 439 Y CA 2.082 59.873 58.100 -0.514 0.000 1.149 439 Y CB -0.346 37.623 38.460 -0.820 0.000 0.976 439 Y HN 0.357 nan 8.280 nan 0.000 0.505 440 W N 1.125 122.157 121.300 -0.447 0.000 2.425 440 W HA -0.115 5.006 4.660 0.769 0.000 0.277 440 W C 1.927 178.268 176.519 -0.297 0.000 1.231 440 W CA 1.152 58.209 57.345 -0.481 0.000 1.248 440 W CB -0.798 28.367 29.460 -0.492 0.000 1.117 440 W HN 0.311 nan 8.180 nan 0.000 0.568 441 Q N -0.585 119.178 119.800 -0.062 0.000 2.415 441 Q HA 0.166 4.970 4.340 0.774 0.000 0.206 441 Q C 1.627 177.229 176.000 -0.664 0.000 0.946 441 Q CA 0.657 56.289 55.803 -0.285 0.000 0.951 441 Q CB -0.237 28.182 28.738 -0.531 0.000 1.026 441 Q HN 0.304 nan 8.270 nan 0.000 0.510 442 G N 0.718 109.050 108.800 -0.780 0.000 2.155 442 G HA2 -0.321 4.103 3.960 0.774 0.000 0.257 442 G HA3 -0.321 4.103 3.960 0.774 0.000 0.257 442 G C 0.189 174.760 174.900 -0.547 0.000 0.983 442 G CA 0.545 44.902 45.100 -1.237 0.000 0.676 442 G HN 0.648 nan 8.290 nan 0.000 0.528 443 H N 0.031 118.916 119.070 -0.308 0.000 2.543 443 H HA 0.218 5.235 4.556 0.769 0.000 0.269 443 H C 0.930 176.201 175.328 -0.095 0.000 1.005 443 H CA 0.188 56.146 56.048 -0.151 0.000 1.146 443 H CB 0.429 30.145 29.762 -0.078 0.000 1.353 443 H HN 0.367 nan 8.280 nan 0.000 0.595 444 E N 0.647 120.843 120.200 -0.008 0.000 2.259 444 E HA -0.001 4.813 4.350 0.774 0.000 0.257 444 E C 0.933 177.548 176.600 0.024 0.000 0.998 444 E CA -0.292 56.137 56.400 0.049 0.000 0.866 444 E CB 1.175 30.934 29.700 0.098 0.000 1.220 444 E HN 0.494 nan 8.360 nan 0.000 0.415 445 E N 0.521 120.762 120.200 0.069 0.000 2.418 445 E HA -0.057 4.757 4.350 0.774 0.000 0.197 445 E C 0.574 177.155 176.600 -0.031 0.000 1.026 445 E CA 0.557 56.993 56.400 0.059 0.000 0.862 445 E CB -0.254 29.528 29.700 0.136 0.000 0.799 445 E HN 0.425 nan 8.360 nan 0.000 0.518 446 I N -1.238 119.289 120.570 -0.072 0.000 2.474 446 I HA 0.598 5.233 4.170 0.774 0.000 0.294 446 I C -0.477 175.526 176.117 -0.189 0.000 1.005 446 I CA -1.279 59.842 61.300 -0.299 0.000 1.113 446 I CB 1.793 39.634 38.000 -0.265 0.000 1.289 446 I HN -0.150 nan 8.210 nan 0.000 0.436 447 R N 4.049 124.237 120.500 -0.521 0.000 2.817 447 R HA 0.667 5.471 4.340 0.774 0.000 0.268 447 R C -1.528 174.475 176.300 -0.495 0.000 1.027 447 R CA -0.949 54.867 56.100 -0.473 0.000 0.928 447 R CB 2.434 32.506 30.300 -0.380 0.000 1.228 447 R HN 0.837 nan 8.270 nan 0.000 0.469 448 Q N 0.663 120.312 119.800 -0.251 0.000 2.482 448 Q HA 0.638 5.442 4.340 0.774 0.000 0.286 448 Q C -1.307 174.696 176.000 0.005 0.000 1.007 448 Q CA -1.051 54.674 55.803 -0.129 0.000 0.801 448 Q CB 2.034 30.740 28.738 -0.053 0.000 1.455 448 Q HN 0.628 nan 8.270 nan 0.000 0.398 449 I N -0.607 119.901 120.570 -0.103 0.000 2.499 449 I HA 0.885 5.519 4.170 0.774 0.000 0.288 449 I C -0.900 175.009 176.117 -0.346 0.000 1.048 449 I CA -0.634 60.508 61.300 -0.264 0.000 1.062 449 I CB 2.167 39.789 38.000 -0.630 0.000 1.238 449 I HN 0.877 nan 8.210 nan 0.000 0.426 450 S N 3.905 119.701 115.700 0.160 0.000 2.588 450 S HA 0.707 5.641 4.470 0.774 0.000 0.269 450 S C -1.153 173.869 174.600 0.703 0.000 1.157 450 S CA -0.950 57.520 58.200 0.449 0.000 0.824 450 S CB 2.279 65.713 63.200 0.391 0.000 1.126 450 S HN 0.883 nan 8.310 nan 0.000 0.464 451 K N 1.054 121.767 120.400 0.522 0.000 2.656 451 K HA 0.597 5.381 4.320 0.774 0.000 0.253 451 K C 0.148 176.877 176.600 0.215 0.000 1.002 451 K CA 0.036 56.531 56.287 0.347 0.000 0.880 451 K CB 1.120 33.761 32.500 0.234 0.000 1.232 451 K HN 0.877 nan 8.250 nan 0.000 0.456 452 S N 1.862 117.661 115.700 0.164 0.000 4.137 452 S HA -0.292 4.642 4.470 0.774 0.000 0.550 452 S C 0.564 175.180 174.600 0.027 0.000 1.887 452 S CA 1.974 60.185 58.200 0.018 0.000 4.230 452 S CB -0.993 62.153 63.200 -0.089 0.000 0.378 452 S HN 1.017 nan 8.310 nan 0.000 0.490 453 D N 1.828 122.161 120.400 -0.111 0.000 2.328 453 D HA 0.298 5.402 4.640 0.774 0.000 0.221 453 D C -0.100 176.309 176.300 0.181 0.000 1.072 453 D CA 0.236 54.260 54.000 0.039 0.000 0.850 453 D CB -0.311 40.469 40.800 -0.033 0.000 0.922 453 D HN 0.351 nan 8.370 nan 0.000 0.516 454 D N 0.011 120.521 120.400 0.184 0.000 2.248 454 D HA 0.675 5.779 4.640 0.774 0.000 0.246 454 D C -1.054 175.456 176.300 0.351 0.000 1.027 454 D CA -0.657 53.477 54.000 0.223 0.000 0.853 454 D CB 1.826 42.694 40.800 0.113 0.000 1.243 454 D HN 0.167 nan 8.370 nan 0.000 0.462 455 A N 2.536 125.490 122.820 0.223 0.000 2.544 455 A HA 0.656 5.441 4.320 0.774 0.000 0.291 455 A C -1.599 175.843 177.584 -0.237 0.000 1.055 455 A CA -0.707 51.277 52.037 -0.088 0.000 0.651 455 A CB 1.101 19.857 19.000 -0.406 0.000 1.296 455 A HN 0.498 nan 8.150 nan 0.000 0.431 456 M N 1.428 120.796 119.600 -0.385 0.000 2.267 456 M HA 0.444 5.388 4.480 0.774 0.000 0.289 456 M C -1.498 174.742 176.300 -0.101 0.000 1.043 456 M CA -0.164 55.044 55.300 -0.153 0.000 0.928 456 M CB 1.805 34.349 32.600 -0.093 0.000 1.613 456 M HN 0.584 nan 8.290 nan 0.000 0.450 457 L N 2.492 123.626 121.223 -0.148 0.000 2.289 457 L HA 0.833 5.637 4.340 0.774 0.000 0.285 457 L C 0.452 176.929 176.870 -0.656 0.000 1.049 457 L CA -0.639 53.961 54.840 -0.399 0.000 0.804 457 L CB 1.432 43.330 42.059 -0.270 0.000 1.195 457 L HN 0.794 nan 8.230 nan 0.000 0.428 458 G N 2.081 110.021 108.800 -1.434 0.000 2.498 458 G HA2 0.619 5.043 3.960 0.774 0.000 0.312 458 G HA3 0.619 5.043 3.960 0.774 0.000 0.312 458 G C -1.921 172.177 174.900 -1.337 0.000 1.230 458 G CA -0.356 43.690 45.100 -1.757 0.000 0.968 458 G HN 0.474 nan 8.290 nan 0.000 0.481 459 W N 1.115 122.094 121.300 -0.534 0.000 2.957 459 W HA 0.417 5.142 4.660 0.109 0.000 0.336 459 W C 0.201 176.653 176.519 -0.112 0.000 1.087 459 W CA -0.596 56.609 57.345 -0.233 0.000 1.235 459 W CB 2.351 31.749 29.460 -0.104 0.000 1.399 459 W HN 0.804 nan 8.180 nan 0.000 0.480 460 T N -0.349 114.278 114.554 0.121 0.000 2.897 460 T HA 0.411 5.225 4.350 0.774 0.000 0.278 460 T C 0.265 175.075 174.700 0.184 0.000 0.981 460 T CA -0.858 61.337 62.100 0.157 0.000 0.973 460 T CB 1.541 70.480 68.868 0.118 0.000 1.092 460 T HN 0.044 nan 8.240 nan 0.000 0.543 461 K N 0.905 121.398 120.400 0.155 0.000 2.448 461 K HA 0.549 5.334 4.320 0.774 0.000 0.278 461 K C 0.634 177.307 176.600 0.121 0.000 1.009 461 K CA 0.494 56.860 56.287 0.131 0.000 0.995 461 K CB 0.332 32.892 32.500 0.100 0.000 0.917 461 K HN 1.087 nan 8.250 nan 0.000 0.481 462 G N 1.236 110.105 108.800 0.114 0.000 2.343 462 G HA2 0.001 4.425 3.960 0.774 0.000 0.289 462 G HA3 0.001 4.425 3.960 0.774 0.000 0.289 462 G C 0.290 175.242 174.900 0.087 0.000 1.295 462 G CA -0.822 44.338 45.100 0.099 0.000 0.869 462 G HN 0.455 nan 8.290 nan 0.000 0.522 463 R N -0.426 120.099 120.500 0.041 0.000 2.081 463 R HA -0.016 4.789 4.340 0.774 0.000 0.235 463 R C 2.929 179.305 176.300 0.126 0.000 1.131 463 R CA 1.932 58.012 56.100 -0.035 0.000 0.960 463 R CB -0.366 29.701 30.300 -0.390 0.000 0.856 463 R HN 0.582 nan 8.270 nan 0.000 0.436 464 A N 1.054 124.063 122.820 0.315 0.000 2.015 464 A HA -0.123 4.662 4.320 0.774 0.000 0.219 464 A C 1.984 179.728 177.584 0.266 0.000 1.163 464 A CA 0.690 52.968 52.037 0.402 0.000 0.646 464 A CB -0.355 18.952 19.000 0.512 0.000 0.806 464 A HN 0.236 nan 8.150 nan 0.000 0.448 465 L N -0.004 121.367 121.223 0.247 0.000 2.089 465 L HA -0.160 4.644 4.340 0.774 0.000 0.213 465 L C 2.369 179.279 176.870 0.068 0.000 1.079 465 L CA 2.303 57.229 54.840 0.143 0.000 0.758 465 L CB -0.776 41.400 42.059 0.195 0.000 0.891 465 L HN 0.222 nan 8.230 nan 0.000 0.433 466 V N -0.293 119.660 119.914 0.065 0.000 2.427 466 V HA -0.108 4.476 4.120 0.774 0.000 0.248 466 V C 2.392 178.485 176.094 -0.001 0.000 1.051 466 V CA 1.792 64.111 62.300 0.032 0.000 1.048 466 V CB -0.746 31.078 31.823 0.003 0.000 0.666 466 V HN 0.594 nan 8.190 nan 0.000 0.456 467 G N -0.430 108.361 108.800 -0.014 0.000 2.418 467 G HA2 -0.142 4.282 3.960 0.774 0.000 0.217 467 G HA3 -0.142 4.282 3.960 0.774 0.000 0.217 467 G C 1.596 176.368 174.900 -0.213 0.000 1.158 467 G CA 0.839 45.921 45.100 -0.029 0.000 0.771 467 G HN 0.688 nan 8.290 nan 0.000 0.545 468 G N 0.308 108.750 108.800 -0.596 0.000 2.553 468 G HA2 -0.320 4.104 3.960 0.774 0.000 0.218 468 G HA3 -0.320 4.104 3.960 0.774 0.000 0.218 468 G C 1.603 176.043 174.900 -0.766 0.000 1.195 468 G CA 1.242 45.474 45.100 -1.447 0.000 0.779 468 G HN 0.531 nan 8.290 nan 0.000 0.577 469 H N 0.279 119.090 119.070 -0.433 0.000 2.353 469 H HA -0.055 4.957 4.556 0.759 0.000 0.298 469 H C 2.864 178.104 175.328 -0.146 0.000 1.103 469 H CA 1.535 57.453 56.048 -0.217 0.000 1.293 469 H CB -0.065 29.589 29.762 -0.180 0.000 1.372 469 H HN 0.275 nan 8.280 nan 0.000 0.501 470 R N 0.254 120.744 120.500 -0.016 0.000 2.091 470 R HA -0.146 4.658 4.340 0.774 0.000 0.238 470 R C 2.476 178.770 176.300 -0.009 0.000 1.136 470 R CA 1.150 57.246 56.100 -0.006 0.000 0.959 470 R CB -0.407 29.899 30.300 0.009 0.000 0.856 470 R HN 0.145 nan 8.270 nan 0.000 0.437 471 L N 0.396 121.586 121.223 -0.054 0.000 1.989 471 L HA -0.196 4.609 4.340 0.774 0.000 0.211 471 L C 2.060 178.957 176.870 0.046 0.000 1.071 471 L CA 1.748 56.552 54.840 -0.061 0.000 0.749 471 L CB -0.944 41.067 42.059 -0.081 0.000 0.890 471 L HN 0.073 nan 8.230 nan 0.000 0.431 472 F N 0.915 120.769 119.950 -0.161 0.000 2.120 472 F HA -0.252 4.733 4.527 0.763 0.000 0.300 472 F C 2.489 178.281 175.800 -0.014 0.000 1.095 472 F CA 2.039 59.985 58.000 -0.090 0.000 1.249 472 F CB -0.688 38.201 39.000 -0.184 0.000 0.995 472 F HN 0.384 nan 8.300 nan 0.000 0.480 473 E N 0.102 120.374 120.200 0.120 0.000 2.106 473 E HA -0.227 4.587 4.350 0.774 0.000 0.192 473 E C 2.429 179.059 176.600 0.050 0.000 0.984 473 E CA 1.465 57.888 56.400 0.039 0.000 0.806 473 E CB -0.560 29.142 29.700 0.004 0.000 0.750 473 E HN 0.482 nan 8.360 nan 0.000 0.458 474 M N -0.305 119.324 119.600 0.049 0.000 2.149 474 M HA -0.168 4.776 4.480 0.774 0.000 0.261 474 M C 1.657 178.001 176.300 0.072 0.000 1.064 474 M CA 1.354 56.674 55.300 0.032 0.000 1.102 474 M CB -0.022 32.562 32.600 -0.026 0.000 1.369 474 M HN 0.216 nan 8.290 nan 0.000 0.408 475 L N -0.048 121.255 121.223 0.134 0.000 2.044 475 L HA -0.211 4.593 4.340 0.774 0.000 0.205 475 L C 2.600 179.611 176.870 0.234 0.000 1.075 475 L CA 1.407 56.387 54.840 0.234 0.000 0.747 475 L CB -0.753 41.502 42.059 0.327 0.000 0.903 475 L HN 0.333 nan 8.230 nan 0.000 0.435 476 K N 0.647 121.084 120.400 0.061 0.000 2.009 476 K HA -0.236 4.548 4.320 0.774 0.000 0.210 476 K C 1.889 178.483 176.600 -0.011 0.000 1.049 476 K CA 1.834 58.020 56.287 -0.170 0.000 0.929 476 K CB -0.051 32.196 32.500 -0.422 0.000 0.714 476 K HN 0.321 nan 8.250 nan 0.000 0.440 477 E N -0.479 119.720 120.200 -0.002 0.000 2.265 477 E HA -0.081 4.733 4.350 0.774 0.000 0.196 477 E C 0.713 177.351 176.600 0.063 0.000 0.996 477 E CA 0.484 56.894 56.400 0.016 0.000 0.832 477 E CB -0.224 29.481 29.700 0.009 0.000 0.756 477 E HN 0.615 nan 8.360 nan 0.000 0.491 478 G N 1.940 110.804 108.800 0.106 0.000 2.424 478 G HA2 -0.332 4.092 3.960 0.774 0.000 0.290 478 G HA3 -0.332 4.092 3.960 0.774 0.000 0.290 478 G C 0.509 175.455 174.900 0.078 0.000 0.912 478 G CA 1.098 46.271 45.100 0.121 0.000 1.142 478 G HN 0.266 nan 8.290 nan 0.000 0.501 479 K N -1.555 118.880 120.400 0.058 0.000 2.391 479 K HA 0.327 5.111 4.320 0.774 0.000 0.197 479 K C 0.531 177.156 176.600 0.043 0.000 1.087 479 K CA 0.039 56.353 56.287 0.045 0.000 1.012 479 K CB 1.209 33.730 32.500 0.035 0.000 0.925 479 K HN 0.260 nan 8.250 nan 0.000 0.547 480 V N 1.978 121.920 119.914 0.047 0.000 2.656 480 V HA 0.175 4.759 4.120 0.774 0.000 0.307 480 V C -1.039 175.084 176.094 0.048 0.000 1.051 480 V CA -1.151 61.177 62.300 0.046 0.000 0.893 480 V CB 1.779 33.632 31.823 0.049 0.000 0.999 480 V HN 0.159 nan 8.190 nan 0.000 0.426 481 N N 6.878 125.605 118.700 0.045 0.000 2.430 481 N HA 0.308 5.513 4.740 0.774 0.000 0.265 481 N C -1.189 174.357 175.510 0.061 0.000 1.100 481 N CA -1.735 51.342 53.050 0.045 0.000 0.961 481 N CB 1.521 40.023 38.487 0.026 0.000 1.075 481 N HN 0.368 nan 8.380 nan 0.000 0.478 482 P HA -0.014 nan 4.420 nan 0.000 0.239 482 P C -0.294 177.133 177.300 0.212 0.000 1.184 482 P CA 0.420 63.565 63.100 0.074 0.000 0.760 482 P CB 0.431 32.074 31.700 -0.095 0.000 0.884 483 S N 0.427 116.195 115.700 0.112 0.000 2.570 483 S HA 0.538 5.472 4.470 0.774 0.000 0.286 483 S C -2.294 172.272 174.600 -0.056 0.000 1.099 483 S CA -1.751 56.487 58.200 0.062 0.000 0.913 483 S CB 1.942 65.209 63.200 0.113 0.000 1.085 483 S HN -0.159 nan 8.310 nan 0.000 0.480 484 P HA 0.186 nan 4.420 nan 0.000 0.264 484 P C 0.124 177.254 177.300 -0.284 0.000 1.259 484 P CA 0.264 63.155 63.100 -0.350 0.000 0.841 484 P CB 0.117 31.480 31.700 -0.560 0.000 1.232 485 Y N -0.726 119.645 120.300 0.120 0.000 2.396 485 Y HA 0.289 5.300 4.550 0.770 0.000 0.292 485 Y C 1.632 177.548 175.900 0.027 0.000 1.128 485 Y CA 0.543 58.731 58.100 0.146 0.000 1.194 485 Y CB -0.103 38.495 38.460 0.230 0.000 1.124 485 Y HN -0.151 nan 8.280 nan 0.000 0.543 486 M N -0.485 119.187 119.600 0.120 0.000 2.667 486 M HA 0.292 5.236 4.480 0.774 0.000 0.286 486 M C -0.891 175.347 176.300 -0.103 0.000 1.270 486 M CA -1.016 54.251 55.300 -0.056 0.000 0.826 486 M CB 1.945 34.559 32.600 0.024 0.000 1.743 486 M HN -0.201 nan 8.290 nan 0.000 0.460 487 K N 1.887 122.146 120.400 -0.235 0.000 2.273 487 K HA 0.455 5.239 4.320 0.774 0.000 0.287 487 K C -0.674 175.922 176.600 -0.007 0.000 1.089 487 K CA -0.258 55.946 56.287 -0.139 0.000 0.909 487 K CB 0.397 32.765 32.500 -0.219 0.000 1.123 487 K HN 0.380 nan 8.250 nan 0.000 0.473 488 I N 1.655 122.258 120.570 0.056 0.000 2.676 488 I HA 0.309 4.943 4.170 0.774 0.000 0.309 488 I C 0.761 176.950 176.117 0.120 0.000 0.990 488 I CA -0.341 61.035 61.300 0.127 0.000 1.168 488 I CB 1.374 39.484 38.000 0.185 0.000 1.343 488 I HN 0.630 nan 8.210 nan 0.000 0.482 489 S N 2.898 118.684 115.700 0.144 0.000 2.655 489 S HA 0.545 5.479 4.470 0.774 0.000 0.266 489 S C -1.163 173.542 174.600 0.175 0.000 1.149 489 S CA -0.935 57.353 58.200 0.147 0.000 0.818 489 S CB 1.427 64.661 63.200 0.056 0.000 1.130 489 S HN 0.499 nan 8.310 nan 0.000 0.476 490 Y N 0.284 120.668 120.300 0.141 0.000 2.352 490 Y HA 0.732 5.746 4.550 0.773 0.000 0.326 490 Y C 0.090 176.083 175.900 0.155 0.000 1.166 490 Y CA -0.946 57.238 58.100 0.140 0.000 1.182 490 Y CB 0.633 39.203 38.460 0.183 0.000 1.216 490 Y HN 0.920 nan 8.280 nan 0.000 0.474 491 E N 3.209 123.450 120.200 0.069 0.000 2.217 491 E HA -0.036 4.778 4.350 0.774 0.000 0.279 491 E C -0.691 175.965 176.600 0.092 0.000 1.068 491 E CA -0.380 56.039 56.400 0.033 0.000 0.882 491 E CB 0.220 29.985 29.700 0.109 0.000 1.039 491 E HN 0.844 nan 8.360 nan 0.000 0.418 492 H N 4.542 123.556 119.070 -0.093 0.000 3.330 492 H HA 0.172 5.192 4.556 0.774 0.000 0.260 492 H C -0.073 175.321 175.328 0.111 0.000 1.439 492 H CA 1.205 57.287 56.048 0.057 0.000 1.540 492 H CB -0.361 29.387 29.762 -0.023 0.000 1.698 492 H HN 0.854 nan 8.280 nan 0.000 0.516 493 G N 3.477 112.286 108.800 0.015 0.000 2.857 493 G HA2 -0.171 4.253 3.960 0.774 0.000 0.166 493 G HA3 -0.171 4.253 3.960 0.774 0.000 0.166 493 G C 0.443 175.417 174.900 0.123 0.000 1.060 493 G CA -0.472 44.655 45.100 0.045 0.000 0.976 493 G HN 0.883 nan 8.290 nan 0.000 0.549 494 G N -0.103 108.809 108.800 0.187 0.000 2.138 494 G HA2 0.607 5.031 3.960 0.774 0.000 0.263 494 G HA3 0.607 5.031 3.960 0.774 0.000 0.263 494 G C 0.526 175.543 174.900 0.195 0.000 1.103 494 G CA 1.043 46.272 45.100 0.215 0.000 1.014 494 G HN 1.928 nan 8.290 nan 0.000 0.418 495 A N 2.414 125.351 122.820 0.196 0.000 2.587 495 A HA 0.786 5.571 4.320 0.774 0.000 0.293 495 A C -1.598 176.139 177.584 0.255 0.000 1.087 495 A CA -0.706 51.464 52.037 0.221 0.000 0.692 495 A CB 1.810 20.890 19.000 0.133 0.000 1.291 495 A HN 1.123 nan 8.150 nan 0.000 0.407 496 F N 1.854 121.813 119.950 0.015 0.000 2.539 496 F HA 0.581 5.579 4.527 0.784 0.000 0.318 496 F C 0.051 175.711 175.800 -0.233 0.000 1.135 496 F CA -1.030 56.901 58.000 -0.115 0.000 0.915 496 F CB 1.497 40.408 39.000 -0.148 0.000 1.176 496 F HN 0.489 nan 8.300 nan 0.000 0.440 497 L N 5.925 126.641 121.223 -0.845 0.000 3.742 497 L HA -0.143 4.661 4.340 0.774 0.000 0.431 497 L C 1.107 177.704 176.870 -0.456 0.000 1.220 497 L CA 1.586 55.959 54.840 -0.779 0.000 0.863 497 L CB -1.521 39.837 42.059 -1.169 0.000 1.751 497 L HN 1.310 nan 8.230 nan 0.000 0.922 498 G N -1.971 106.663 108.800 -0.276 0.000 2.195 498 G HA2 -0.226 4.199 3.960 0.774 0.000 0.246 498 G HA3 -0.226 4.199 3.960 0.774 0.000 0.246 498 G C 0.187 175.007 174.900 -0.133 0.000 0.984 498 G CA 0.251 45.245 45.100 -0.177 0.000 0.633 498 G HN 0.498 nan 8.290 nan 0.000 0.525 499 D N 0.342 120.639 120.400 -0.172 0.000 2.256 499 D HA 0.578 5.683 4.640 0.774 0.000 0.246 499 D C 0.381 176.736 176.300 0.091 0.000 1.042 499 D CA -0.386 53.559 54.000 -0.092 0.000 0.841 499 D CB 1.761 42.407 40.800 -0.256 0.000 1.223 499 D HN 0.230 nan 8.370 nan 0.000 0.470 500 I N 1.664 122.333 120.570 0.166 0.000 2.472 500 I HA 0.069 4.703 4.170 0.774 0.000 0.290 500 I C -0.091 176.183 176.117 0.261 0.000 1.016 500 I CA -0.803 60.616 61.300 0.198 0.000 1.348 500 I CB 1.280 39.346 38.000 0.111 0.000 1.417 500 I HN 0.046 nan 8.210 nan 0.000 0.521 501 L N 7.526 128.824 121.223 0.125 0.000 2.268 501 L HA 0.291 5.095 4.340 0.774 0.000 0.289 501 L C -0.666 176.028 176.870 -0.293 0.000 1.064 501 L CA -0.337 54.331 54.840 -0.286 0.000 0.824 501 L CB 0.700 42.494 42.059 -0.441 0.000 1.202 501 L HN 0.351 nan 8.230 nan 0.000 0.433 502 L N 6.726 127.782 121.223 -0.277 0.000 2.268 502 L HA 0.375 5.179 4.340 0.774 0.000 0.289 502 L C -0.920 175.846 176.870 -0.174 0.000 1.064 502 L CA 0.024 54.786 54.840 -0.129 0.000 0.824 502 L CB 0.053 42.088 42.059 -0.039 0.000 1.202 502 L HN 0.415 nan 8.230 nan 0.000 0.433 503 Y N 2.680 123.013 120.300 0.055 0.000 2.301 503 Y HA 0.346 5.358 4.550 0.769 0.000 0.325 503 Y C 0.637 176.594 175.900 0.096 0.000 1.203 503 Y CA -0.498 57.638 58.100 0.059 0.000 1.255 503 Y CB 0.817 39.328 38.460 0.085 0.000 1.232 503 Y HN 0.709 nan 8.280 nan 0.000 0.501 504 D N -1.404 119.130 120.400 0.223 0.000 2.560 504 D HA 0.153 5.257 4.640 0.774 0.000 0.277 504 D C 1.145 177.511 176.300 0.110 0.000 1.194 504 D CA -0.081 54.009 54.000 0.150 0.000 1.092 504 D CB -0.278 40.579 40.800 0.095 0.000 1.169 504 D HN 0.385 nan 8.370 nan 0.000 0.607 505 S N -0.975 114.758 115.700 0.056 0.000 2.400 505 S HA -0.213 4.722 4.470 0.774 0.000 0.232 505 S C 1.755 176.352 174.600 -0.005 0.000 1.025 505 S CA 0.522 58.723 58.200 0.001 0.000 0.993 505 S CB -0.458 62.740 63.200 -0.004 0.000 0.808 505 S HN 0.340 nan 8.310 nan 0.000 0.478 506 R N 1.114 121.629 120.500 0.025 0.000 2.091 506 R HA 0.056 4.861 4.340 0.774 0.000 0.238 506 R C 0.254 176.558 176.300 0.007 0.000 1.136 506 R CA 0.765 56.878 56.100 0.021 0.000 0.959 506 R CB -0.891 29.437 30.300 0.047 0.000 0.856 506 R HN 0.377 nan 8.270 nan 0.000 0.437 507 R N 1.047 121.575 120.500 0.046 0.000 3.184 507 R HA -0.122 4.682 4.340 0.774 0.000 0.257 507 R C -1.003 175.287 176.300 -0.016 0.000 0.999 507 R CA 0.592 56.660 56.100 -0.052 0.000 0.670 507 R CB -2.352 27.831 30.300 -0.196 0.000 1.197 507 R HN 0.545 nan 8.270 nan 0.000 0.419 508 E N -0.651 119.689 120.200 0.233 0.000 2.308 508 E HA 0.262 5.076 4.350 0.774 0.000 0.275 508 E C -2.095 174.696 176.600 0.319 0.000 0.890 508 E CA -2.215 54.328 56.400 0.238 0.000 0.754 508 E CB 1.942 31.724 29.700 0.137 0.000 1.207 508 E HN -0.257 nan 8.360 nan 0.000 0.426 509 P HA -0.222 nan 4.420 nan 0.000 0.218 509 P C 1.175 178.475 177.300 -0.000 0.000 1.146 509 P CA 1.550 64.736 63.100 0.143 0.000 0.820 509 P CB 0.218 32.060 31.700 0.237 0.000 0.778 510 G N -0.893 107.941 108.800 0.056 0.000 2.430 510 G HA2 -0.148 4.277 3.960 0.774 0.000 0.216 510 G HA3 -0.148 4.277 3.960 0.774 0.000 0.216 510 G C 1.391 176.287 174.900 -0.006 0.000 1.146 510 G CA 0.859 45.969 45.100 0.016 0.000 0.793 510 G HN 0.420 nan 8.290 nan 0.000 0.537 511 S N -0.330 115.384 115.700 0.023 0.000 2.577 511 S HA 0.670 5.604 4.470 0.774 0.000 0.219 511 S C 0.927 175.516 174.600 -0.018 0.000 0.962 511 S CA 0.312 58.520 58.200 0.015 0.000 0.921 511 S CB 0.320 63.549 63.200 0.048 0.000 0.789 511 S HN 0.494 nan 8.310 nan 0.000 0.497 512 A N 1.803 124.567 122.820 -0.092 0.000 2.264 512 A HA 0.849 5.633 4.320 0.774 0.000 0.304 512 A C -0.016 177.390 177.584 -0.297 0.000 1.100 512 A CA -1.038 50.849 52.037 -0.250 0.000 0.839 512 A CB 0.404 19.052 19.000 -0.586 0.000 1.121 512 A HN 0.847 nan 8.150 nan 0.000 0.496 513 I N -3.616 116.759 120.570 -0.325 0.000 3.074 513 I HA 0.643 5.277 4.170 0.774 0.000 0.310 513 I C -1.372 174.573 176.117 -0.287 0.000 1.153 513 I CA -0.890 60.255 61.300 -0.259 0.000 0.993 513 I CB 2.201 40.140 38.000 -0.103 0.000 1.237 513 I HN 0.485 nan 8.210 nan 0.000 0.443 514 F N 3.708 123.588 119.950 -0.117 0.000 2.334 514 F HA 0.541 5.531 4.527 0.772 0.000 0.367 514 F C 0.252 176.009 175.800 -0.072 0.000 1.115 514 F CA -0.928 57.012 58.000 -0.099 0.000 1.116 514 F CB 1.798 40.739 39.000 -0.097 0.000 1.230 514 F HN 0.369 nan 8.300 nan 0.000 0.484 515 V N 1.397 121.405 119.914 0.157 0.000 2.850 515 V HA 0.851 5.435 4.120 0.774 0.000 0.315 515 V C 0.387 176.523 176.094 0.069 0.000 1.064 515 V CA -0.831 61.517 62.300 0.080 0.000 0.979 515 V CB 1.156 33.017 31.823 0.063 0.000 1.039 515 V HN 0.671 nan 8.190 nan 0.000 0.452 516 G N 1.076 109.895 108.800 0.032 0.000 2.527 516 G HA2 0.183 4.607 3.960 0.774 0.000 0.248 516 G HA3 0.183 4.607 3.960 0.774 0.000 0.248 516 G C -0.034 174.945 174.900 0.132 0.000 1.231 516 G CA -0.450 44.657 45.100 0.012 0.000 0.838 516 G HN 0.930 nan 8.290 nan 0.000 0.570 517 N N 1.021 119.809 118.700 0.147 0.000 2.405 517 N HA 0.005 5.209 4.740 0.774 0.000 0.260 517 N C 1.265 176.941 175.510 0.277 0.000 1.152 517 N CA -0.603 52.546 53.050 0.165 0.000 0.948 517 N CB 0.987 39.540 38.487 0.111 0.000 1.111 517 N HN 0.268 nan 8.380 nan 0.000 0.485 518 I N 4.536 125.237 120.570 0.218 0.000 2.361 518 I HA -0.202 4.432 4.170 0.774 0.000 0.251 518 I C 1.703 177.894 176.117 0.123 0.000 1.133 518 I CA 1.137 62.552 61.300 0.191 0.000 1.413 518 I CB -0.428 37.668 38.000 0.159 0.000 1.073 518 I HN 0.613 nan 8.210 nan 0.000 0.424 519 N N -0.152 118.621 118.700 0.121 0.000 2.104 519 N HA -0.182 5.022 4.740 0.774 0.000 0.190 519 N C 1.908 177.470 175.510 0.086 0.000 1.024 519 N CA 1.743 54.852 53.050 0.098 0.000 0.853 519 N CB -0.105 38.374 38.487 -0.014 0.000 1.008 519 N HN 0.352 nan 8.380 nan 0.000 0.424 520 S N -0.002 115.765 115.700 0.112 0.000 2.419 520 S HA -0.178 4.757 4.470 0.774 0.000 0.235 520 S C 1.857 176.500 174.600 0.072 0.000 1.019 520 S CA 0.950 59.234 58.200 0.140 0.000 0.982 520 S CB -0.252 63.087 63.200 0.231 0.000 0.789 520 S HN 0.423 nan 8.310 nan 0.000 0.490 521 M N 1.387 120.872 119.600 -0.191 0.000 2.077 521 M HA -0.057 4.888 4.480 0.774 0.000 0.261 521 M C 1.858 178.004 176.300 -0.257 0.000 1.070 521 M CA 1.509 56.398 55.300 -0.685 0.000 1.125 521 M CB -0.333 31.519 32.600 -1.245 0.000 1.339 521 M HN 0.259 nan 8.290 nan 0.000 0.409 522 L N 0.636 121.802 121.223 -0.095 0.000 2.013 522 L HA -0.316 4.488 4.340 0.774 0.000 0.212 522 L C 2.227 179.148 176.870 0.085 0.000 1.073 522 L CA 1.415 56.293 54.840 0.063 0.000 0.753 522 L CB -1.370 40.827 42.059 0.230 0.000 0.890 522 L HN 0.417 nan 8.230 nan 0.000 0.432 523 N N 0.407 119.164 118.700 0.095 0.000 2.043 523 N HA -0.187 5.017 4.740 0.774 0.000 0.193 523 N C 1.545 177.109 175.510 0.090 0.000 1.037 523 N CA 1.617 54.736 53.050 0.115 0.000 0.851 523 N CB -0.786 37.757 38.487 0.092 0.000 1.027 523 N HN 0.453 nan 8.380 nan 0.000 0.422 524 N N 0.851 119.588 118.700 0.062 0.000 2.036 524 N HA -0.172 5.032 4.740 0.774 0.000 0.195 524 N C 1.689 177.226 175.510 0.045 0.000 1.037 524 N CA 1.082 54.179 53.050 0.077 0.000 0.855 524 N CB -0.120 38.437 38.487 0.116 0.000 1.033 524 N HN 0.421 nan 8.380 nan 0.000 0.423 525 Q N -0.541 119.203 119.800 -0.093 0.000 2.123 525 Q HA -0.035 4.769 4.340 0.774 0.000 0.199 525 Q C 0.865 176.758 176.000 -0.177 0.000 0.966 525 Q CA 1.078 56.744 55.803 -0.229 0.000 0.845 525 Q CB 0.147 28.484 28.738 -0.670 0.000 0.907 525 Q HN 0.470 nan 8.270 nan 0.000 0.439 526 F N -1.830 118.380 119.950 0.434 0.000 2.706 526 F HA 0.258 5.249 4.527 0.774 0.000 0.313 526 F C 0.711 176.787 175.800 0.460 0.000 1.096 526 F CA -0.355 57.996 58.000 0.585 0.000 1.219 526 F CB 1.213 40.548 39.000 0.559 0.000 1.051 526 F HN -0.287 nan 8.300 nan 0.000 0.568 527 S N 1.335 117.264 115.700 0.381 0.000 2.526 527 S HA 0.211 5.145 4.470 0.774 0.000 0.220 527 S C -2.425 172.267 174.600 0.154 0.000 1.159 527 S CA -0.997 57.373 58.200 0.283 0.000 1.196 527 S CB 0.172 63.523 63.200 0.251 0.000 1.225 527 S HN -0.112 nan 8.310 nan 0.000 0.432 528 P HA 0.018 nan 4.420 nan 0.000 0.270 528 P C 0.476 177.782 177.300 0.010 0.000 1.227 528 P CA 0.111 63.238 63.100 0.045 0.000 0.788 528 P CB 0.910 32.598 31.700 -0.019 0.000 0.926 529 E N -0.099 120.084 120.200 -0.028 0.000 2.318 529 E HA -0.029 4.785 4.350 0.774 0.000 0.193 529 E C -0.321 176.026 176.600 -0.421 0.000 0.998 529 E CA 0.338 56.608 56.400 -0.217 0.000 0.859 529 E CB 0.135 29.684 29.700 -0.251 0.000 0.812 529 E HN 0.451 nan 8.360 nan 0.000 0.492 530 Y N -1.408 118.881 120.300 -0.018 0.000 2.581 530 Y HA 0.533 5.547 4.550 0.773 0.000 0.345 530 Y C 0.719 176.584 175.900 -0.059 0.000 1.036 530 Y CA -0.909 57.169 58.100 -0.037 0.000 1.042 530 Y CB 1.668 40.107 38.460 -0.035 0.000 1.289 530 Y HN -0.082 nan 8.280 nan 0.000 0.471 531 G N -0.033 108.835 108.800 0.112 0.000 2.553 531 G HA2 0.348 4.773 3.960 0.774 0.000 0.278 531 G HA3 0.348 4.773 3.960 0.774 0.000 0.278 531 G C 0.690 175.588 174.900 -0.003 0.000 1.349 531 G CA -0.130 44.978 45.100 0.014 0.000 1.037 531 G HN 0.764 nan 8.290 nan 0.000 0.508 532 V N -3.269 116.625 119.914 -0.034 0.000 3.573 532 V HA 0.134 4.719 4.120 0.774 0.000 0.270 532 V C 0.895 176.956 176.094 -0.054 0.000 1.221 532 V CA 0.974 63.249 62.300 -0.043 0.000 1.163 532 V CB -1.420 30.390 31.823 -0.022 0.000 0.847 532 V HN 0.742 nan 8.190 nan 0.000 0.468 533 Q N 1.376 121.151 119.800 -0.042 0.000 2.423 533 Q HA -0.241 4.563 4.340 0.774 0.000 0.332 533 Q C 1.425 177.395 176.000 -0.050 0.000 1.355 533 Q CA 0.650 56.424 55.803 -0.049 0.000 0.947 533 Q CB -1.869 26.825 28.738 -0.074 0.000 1.189 533 Q HN 0.967 nan 8.270 nan 0.000 0.418 534 S N -2.214 113.466 115.700 -0.034 0.000 2.500 534 S HA -0.117 4.818 4.470 0.774 0.000 0.239 534 S C 1.755 176.342 174.600 -0.023 0.000 0.989 534 S CA 0.654 58.838 58.200 -0.027 0.000 0.951 534 S CB 0.054 63.248 63.200 -0.010 0.000 0.759 534 S HN 0.699 nan 8.310 nan 0.000 0.523 535 G N 0.907 109.692 108.800 -0.024 0.000 2.572 535 G HA2 0.157 4.581 3.960 0.774 0.000 0.216 535 G HA3 0.157 4.581 3.960 0.774 0.000 0.216 535 G C 0.317 175.203 174.900 -0.022 0.000 1.133 535 G CA -0.013 45.076 45.100 -0.019 0.000 0.791 535 G HN 0.449 nan 8.290 nan 0.000 0.538 536 V N 2.206 122.099 119.914 -0.034 0.000 2.368 536 V HA 0.217 4.801 4.120 0.774 0.000 0.266 536 V C 1.192 177.271 176.094 -0.025 0.000 1.045 536 V CA -0.822 61.456 62.300 -0.036 0.000 0.899 536 V CB 1.282 33.070 31.823 -0.058 0.000 1.006 536 V HN 0.176 nan 8.190 nan 0.000 0.470 537 R N 1.988 122.487 120.500 -0.003 0.000 2.096 537 R HA -0.057 4.747 4.340 0.774 0.000 0.235 537 R C 0.782 177.123 176.300 0.068 0.000 1.127 537 R CA 0.685 56.800 56.100 0.025 0.000 0.968 537 R CB -0.283 30.030 30.300 0.021 0.000 0.861 537 R HN 0.681 nan 8.270 nan 0.000 0.440 538 D N 1.074 121.507 120.400 0.055 0.000 2.422 538 D HA 0.075 5.179 4.640 0.774 0.000 0.227 538 D C 0.642 176.951 176.300 0.014 0.000 1.190 538 D CA -0.082 53.992 54.000 0.123 0.000 0.905 538 D CB 0.407 41.257 40.800 0.083 0.000 1.034 538 D HN -0.018 nan 8.370 nan 0.000 0.507 539 R N 1.123 121.579 120.500 -0.074 0.000 2.200 539 R HA -0.132 4.672 4.340 0.774 0.000 0.234 539 R C 2.091 178.109 176.300 -0.471 0.000 1.127 539 R CA 1.289 57.115 56.100 -0.456 0.000 0.989 539 R CB -0.088 29.654 30.300 -0.931 0.000 0.869 539 R HN 0.390 nan 8.270 nan 0.000 0.459 540 S N 0.819 116.366 115.700 -0.256 0.000 2.447 540 S HA -0.081 4.853 4.470 0.774 0.000 0.233 540 S C 1.608 176.148 174.600 -0.101 0.000 1.006 540 S CA 0.780 58.905 58.200 -0.125 0.000 0.957 540 S CB 0.073 63.323 63.200 0.084 0.000 0.773 540 S HN 0.269 nan 8.310 nan 0.000 0.507 541 K N 0.538 120.883 120.400 -0.091 0.000 2.400 541 K HA 0.194 4.978 4.320 0.774 0.000 0.194 541 K C 0.639 177.156 176.600 -0.139 0.000 1.033 541 K CA -0.038 56.194 56.287 -0.092 0.000 1.021 541 K CB 0.180 32.644 32.500 -0.061 0.000 0.808 541 K HN 0.379 nan 8.250 nan 0.000 0.505 542 R N 1.013 121.405 120.500 -0.181 0.000 2.679 542 R HA 0.095 4.899 4.340 0.774 0.000 0.269 542 R C 1.139 177.302 176.300 -0.227 0.000 1.076 542 R CA -0.298 55.679 56.100 -0.205 0.000 1.160 542 R CB 0.421 30.585 30.300 -0.227 0.000 1.054 542 R HN -0.154 nan 8.270 nan 0.000 0.507 543 K N 1.633 121.865 120.400 -0.279 0.000 2.155 543 K HA -0.071 4.713 4.320 0.774 0.000 0.203 543 K C 0.390 176.894 176.600 -0.160 0.000 1.052 543 K CA 1.341 57.432 56.287 -0.325 0.000 0.948 543 K CB 0.126 32.199 32.500 -0.711 0.000 0.728 543 K HN 0.412 nan 8.250 nan 0.000 0.448 544 R N 0.476 120.892 120.500 -0.140 0.000 2.494 544 R HA 0.176 4.981 4.340 0.774 0.000 0.284 544 R C -2.172 174.008 176.300 -0.199 0.000 1.525 544 R CA -1.435 54.608 56.100 -0.094 0.000 1.460 544 R CB 1.110 31.392 30.300 -0.031 0.000 1.134 544 R HN -0.113 nan 8.270 nan 0.000 0.592 545 P HA -0.180 nan 4.420 nan 0.000 0.214 545 P C -0.287 176.404 177.300 -1.016 0.000 1.169 545 P CA 1.454 64.133 63.100 -0.702 0.000 0.908 545 P CB 0.225 31.576 31.700 -0.581 0.000 0.791 546 F N -3.911 115.986 119.950 -0.088 0.000 2.660 546 F HA 0.353 5.344 4.527 0.773 0.000 0.352 546 F C -1.900 173.892 175.800 -0.013 0.000 1.257 546 F CA -2.103 55.858 58.000 -0.066 0.000 1.200 546 F CB 0.983 39.931 39.000 -0.086 0.000 1.473 546 F HN -0.096 nan 8.300 nan 0.000 0.561 547 P HA -0.201 nan 4.420 nan 0.000 0.215 547 P C 1.994 179.374 177.300 0.134 0.000 1.163 547 P CA 2.101 65.292 63.100 0.152 0.000 0.894 547 P CB 0.220 32.040 31.700 0.200 0.000 0.791 548 G N -0.305 108.529 108.800 0.057 0.000 2.485 548 G HA2 -0.259 4.165 3.960 0.774 0.000 0.221 548 G HA3 -0.259 4.165 3.960 0.774 0.000 0.221 548 G C 1.438 176.367 174.900 0.050 0.000 1.115 548 G CA 0.568 45.645 45.100 -0.038 0.000 0.751 548 G HN 0.242 nan 8.290 nan 0.000 0.567 549 L N 0.462 121.741 121.223 0.092 0.000 2.127 549 L HA -0.111 4.693 4.340 0.774 0.000 0.211 549 L C 3.268 180.209 176.870 0.118 0.000 1.089 549 L CA 0.945 55.837 54.840 0.086 0.000 0.757 549 L CB -0.475 41.625 42.059 0.069 0.000 0.899 549 L HN 0.327 nan 8.230 nan 0.000 0.434 550 A N -0.844 122.069 122.820 0.154 0.000 2.172 550 A HA -0.233 4.551 4.320 0.774 0.000 0.216 550 A C 2.121 179.834 177.584 0.216 0.000 1.154 550 A CA 0.699 52.843 52.037 0.178 0.000 0.701 550 A CB -0.772 18.350 19.000 0.203 0.000 0.789 550 A HN 0.682 nan 8.150 nan 0.000 0.465 551 W N 0.506 121.801 121.300 -0.009 0.000 2.381 551 W HA -0.151 4.974 4.660 0.774 0.000 0.301 551 W C 2.256 178.780 176.519 0.008 0.000 1.205 551 W CA 1.386 58.714 57.345 -0.028 0.000 1.285 551 W CB -0.172 29.216 29.460 -0.120 0.000 1.133 551 W HN 0.439 nan 8.180 nan 0.000 0.521 552 A N 0.848 123.735 122.820 0.113 0.000 1.917 552 A HA -0.284 4.500 4.320 0.774 0.000 0.219 552 A C 1.975 179.534 177.584 -0.041 0.000 1.182 552 A CA 2.857 54.901 52.037 0.011 0.000 0.633 552 A CB -1.251 17.766 19.000 0.029 0.000 0.819 552 A HN 0.374 nan 8.150 nan 0.000 0.448 553 S N -1.194 114.503 115.700 -0.004 0.000 2.496 553 S HA 0.001 4.935 4.470 0.774 0.000 0.224 553 S C 1.838 176.443 174.600 0.009 0.000 0.996 553 S CA 0.960 59.153 58.200 -0.011 0.000 0.927 553 S CB -0.522 62.681 63.200 0.006 0.000 0.774 553 S HN 0.547 nan 8.310 nan 0.000 0.524 554 M N 1.827 121.440 119.600 0.021 0.000 2.204 554 M HA -0.319 4.625 4.480 0.774 0.000 0.255 554 M C 2.197 178.592 176.300 0.157 0.000 1.073 554 M CA 2.411 57.783 55.300 0.120 0.000 1.084 554 M CB -0.279 32.230 32.600 -0.152 0.000 1.289 554 M HN 0.303 nan 8.290 nan 0.000 0.419 555 K N 0.731 121.129 120.400 -0.003 0.000 2.044 555 K HA -0.242 4.542 4.320 0.774 0.000 0.210 555 K C 1.764 178.271 176.600 -0.155 0.000 1.049 555 K CA 2.408 58.637 56.287 -0.097 0.000 0.927 555 K CB -0.865 31.564 32.500 -0.117 0.000 0.713 555 K HN 0.628 nan 8.250 nan 0.000 0.443 556 D N -1.140 119.197 120.400 -0.106 0.000 2.097 556 D HA -0.139 4.965 4.640 0.774 0.000 0.195 556 D C 1.284 177.504 176.300 -0.133 0.000 0.989 556 D CA 1.722 55.653 54.000 -0.114 0.000 0.827 556 D CB 0.091 40.834 40.800 -0.094 0.000 0.966 556 D HN 0.296 nan 8.370 nan 0.000 0.456 557 T N -0.772 113.698 114.554 -0.140 0.000 2.701 557 T HA -0.142 4.672 4.350 0.774 0.000 0.263 557 T C 1.379 175.805 174.700 -0.457 0.000 1.040 557 T CA 1.268 63.166 62.100 -0.336 0.000 1.147 557 T CB -0.317 68.247 68.868 -0.506 0.000 0.865 557 T HN 0.273 nan 8.240 nan 0.000 0.426 558 Y N 0.241 120.556 120.300 0.025 0.000 2.444 558 Y HA 0.425 5.440 4.550 0.774 0.000 0.249 558 Y C 2.421 178.272 175.900 -0.081 0.000 1.134 558 Y CA -0.608 57.535 58.100 0.071 0.000 1.261 558 Y CB -0.645 37.953 38.460 0.230 0.000 1.143 558 Y HN 0.205 nan 8.280 nan 0.000 0.523 559 G N 0.911 109.513 108.800 -0.330 0.000 2.503 559 G HA2 -0.332 4.092 3.960 0.774 0.000 0.221 559 G HA3 -0.332 4.092 3.960 0.774 0.000 0.221 559 G C 1.832 176.485 174.900 -0.412 0.000 1.131 559 G CA 1.137 45.714 45.100 -0.871 0.000 0.756 559 G HN 0.455 nan 8.290 nan 0.000 0.572 560 A N -0.848 121.861 122.820 -0.186 0.000 2.216 560 A HA 0.136 4.920 4.320 0.774 0.000 0.214 560 A C 1.513 179.089 177.584 -0.012 0.000 1.160 560 A CA 0.557 52.544 52.037 -0.083 0.000 0.725 560 A CB -0.776 18.193 19.000 -0.052 0.000 0.784 560 A HN 0.445 nan 8.150 nan 0.000 0.472 561 C N 0.241 119.563 119.300 0.036 0.000 2.642 561 C HA 0.285 5.209 4.460 0.774 0.000 0.420 561 C C -0.527 174.526 174.990 0.104 0.000 1.349 561 C CA -1.117 57.968 59.018 0.113 0.000 1.821 561 C CB 0.418 28.291 27.740 0.222 0.000 2.637 561 C HN 0.426 nan 8.230 nan 0.000 0.605 562 P HA -0.097 nan 4.420 nan 0.000 0.215 562 P C 0.849 178.204 177.300 0.091 0.000 1.153 562 P CA 1.725 64.876 63.100 0.084 0.000 0.853 562 P CB -0.067 31.680 31.700 0.078 0.000 0.788 563 I N -6.113 114.484 120.570 0.045 0.000 3.855 563 I HA 0.160 4.794 4.170 0.774 0.000 0.327 563 I C 1.836 177.942 176.117 -0.018 0.000 1.359 563 I CA -0.374 60.889 61.300 -0.062 0.000 1.142 563 I CB -0.797 36.943 38.000 -0.433 0.000 1.041 563 I HN -0.159 nan 8.210 nan 0.000 0.403 564 Y N 2.393 122.671 120.300 -0.036 0.000 1.940 564 Y HA -0.422 4.592 4.550 0.774 0.000 0.250 564 Y C 2.769 178.664 175.900 -0.009 0.000 1.132 564 Y CA 2.732 60.825 58.100 -0.012 0.000 1.079 564 Y CB -0.532 37.940 38.460 0.020 0.000 0.940 564 Y HN 0.282 nan 8.280 nan 0.000 0.490 565 S N 0.480 116.338 115.700 0.264 0.000 2.406 565 S HA -0.374 4.560 4.470 0.774 0.000 0.242 565 S C 1.397 176.015 174.600 0.030 0.000 1.079 565 S CA 2.053 60.331 58.200 0.131 0.000 1.133 565 S CB -0.949 62.355 63.200 0.172 0.000 1.005 565 S HN 0.655 nan 8.310 nan 0.000 0.443 566 D N 0.572 121.003 120.400 0.051 0.000 2.116 566 D HA -0.090 5.014 4.640 0.774 0.000 0.193 566 D C 1.962 178.262 176.300 0.000 0.000 0.998 566 D CA 1.172 55.222 54.000 0.083 0.000 0.836 566 D CB -0.537 40.364 40.800 0.169 0.000 0.951 566 D HN 0.237 nan 8.370 nan 0.000 0.449 567 V N 0.655 120.482 119.914 -0.145 0.000 2.295 567 V HA -0.217 4.367 4.120 0.774 0.000 0.246 567 V C 2.473 178.515 176.094 -0.087 0.000 1.049 567 V CA 1.258 63.468 62.300 -0.151 0.000 1.024 567 V CB -0.543 31.156 31.823 -0.206 0.000 0.648 567 V HN 0.268 nan 8.190 nan 0.000 0.447 568 L N -0.424 120.704 121.223 -0.158 0.000 2.079 568 L HA -0.241 4.563 4.340 0.774 0.000 0.210 568 L C 2.598 179.499 176.870 0.051 0.000 1.081 568 L CA 1.806 56.604 54.840 -0.070 0.000 0.752 568 L CB -0.597 41.350 42.059 -0.186 0.000 0.896 568 L HN 0.448 nan 8.230 nan 0.000 0.433 569 E N -0.094 120.129 120.200 0.037 0.000 2.047 569 E HA -0.189 4.626 4.350 0.774 0.000 0.191 569 E C 2.328 178.957 176.600 0.048 0.000 0.987 569 E CA 1.036 57.477 56.400 0.069 0.000 0.799 569 E CB -0.152 29.590 29.700 0.070 0.000 0.752 569 E HN 0.475 nan 8.360 nan 0.000 0.449 570 A N 1.402 124.226 122.820 0.007 0.000 1.917 570 A HA -0.240 4.545 4.320 0.774 0.000 0.219 570 A C 2.160 179.735 177.584 -0.015 0.000 1.182 570 A CA 1.396 53.373 52.037 -0.101 0.000 0.633 570 A CB -0.759 18.204 19.000 -0.062 0.000 0.819 570 A HN 0.157 nan 8.150 nan 0.000 0.448 571 I N -1.135 119.481 120.570 0.077 0.000 2.072 571 I HA -0.281 4.353 4.170 0.774 0.000 0.235 571 I C 2.557 178.840 176.117 0.276 0.000 1.058 571 I CA 1.925 63.347 61.300 0.203 0.000 1.320 571 I CB -0.501 37.587 38.000 0.147 0.000 1.047 571 I HN 0.466 nan 8.210 nan 0.000 0.397 572 E N 1.104 121.447 120.200 0.237 0.000 2.136 572 E HA -0.323 4.491 4.350 0.774 0.000 0.202 572 E C 2.202 179.045 176.600 0.405 0.000 1.019 572 E CA 1.951 58.545 56.400 0.323 0.000 0.819 572 E CB -0.186 29.685 29.700 0.284 0.000 0.739 572 E HN 0.223 nan 8.360 nan 0.000 0.458 573 R N -0.649 120.012 120.500 0.268 0.000 2.070 573 R HA -0.116 4.688 4.340 0.774 0.000 0.232 573 R C 2.392 178.867 176.300 0.290 0.000 1.138 573 R CA 1.854 58.089 56.100 0.226 0.000 0.936 573 R CB -0.795 29.526 30.300 0.036 0.000 0.839 573 R HN 0.356 nan 8.270 nan 0.000 0.429 574 C N -0.082 119.365 119.300 0.244 0.000 2.410 574 C HA -0.116 4.808 4.460 0.774 0.000 0.281 574 C C 2.298 177.610 174.990 0.536 0.000 1.318 574 C CA 0.139 59.341 59.018 0.306 0.000 1.776 574 C CB -1.362 26.490 27.740 0.187 0.000 1.942 574 C HN 0.679 nan 8.230 nan 0.000 0.508 575 W N -0.744 120.744 121.300 0.313 0.000 2.453 575 W HA -0.054 5.070 4.660 0.774 0.000 0.289 575 W C 2.177 178.783 176.519 0.145 0.000 1.215 575 W CA 0.726 58.114 57.345 0.073 0.000 1.297 575 W CB -0.630 28.712 29.460 -0.197 0.000 1.113 575 W HN 0.452 nan 8.180 nan 0.000 0.551 576 W N 1.563 123.052 121.300 0.316 0.000 2.355 576 W HA -0.228 4.896 4.660 0.773 0.000 0.309 576 W C 2.280 178.856 176.519 0.095 0.000 1.206 576 W CA 1.812 59.273 57.345 0.194 0.000 1.284 576 W CB -0.787 28.762 29.460 0.147 0.000 1.145 576 W HN -0.223 nan 8.180 nan 0.000 0.502 577 N N -0.111 118.791 118.700 0.338 0.000 2.149 577 N HA -0.170 5.034 4.740 0.774 0.000 0.188 577 N C 1.531 177.057 175.510 0.027 0.000 1.019 577 N CA 1.958 55.114 53.050 0.176 0.000 0.857 577 N CB -0.963 37.599 38.487 0.124 0.000 0.997 577 N HN 0.198 nan 8.380 nan 0.000 0.426 578 A N -1.063 121.735 122.820 -0.037 0.000 1.997 578 A HA 0.199 4.983 4.320 0.774 0.000 0.212 578 A C 1.191 178.388 177.584 -0.646 0.000 1.178 578 A CA 0.470 52.313 52.037 -0.322 0.000 0.698 578 A CB -0.046 18.759 19.000 -0.324 0.000 0.842 578 A HN 0.193 nan 8.150 nan 0.000 0.458 579 F N -1.340 118.308 119.950 -0.504 0.000 2.767 579 F HA 0.374 5.366 4.527 0.774 0.000 0.323 579 F C 1.618 177.145 175.800 -0.455 0.000 1.091 579 F CA 0.131 57.816 58.000 -0.525 0.000 1.192 579 F CB 0.359 38.901 39.000 -0.762 0.000 1.056 579 F HN 0.269 nan 8.300 nan 0.000 0.571 580 G N 1.393 109.986 108.800 -0.345 0.000 2.273 580 G HA2 -0.237 4.187 3.960 0.774 0.000 0.280 580 G HA3 -0.237 4.187 3.960 0.774 0.000 0.280 580 G C -0.117 174.118 174.900 -1.107 0.000 1.047 580 G CA 0.349 45.068 45.100 -0.635 0.000 0.869 580 G HN 0.360 nan 8.290 nan 0.000 0.502 581 E N -1.052 118.455 120.200 -1.155 0.000 2.433 581 E HA 0.494 5.308 4.350 0.774 0.000 0.278 581 E C -0.725 175.485 176.600 -0.650 0.000 0.976 581 E CA -0.608 55.332 56.400 -0.765 0.000 0.793 581 E CB 1.586 31.132 29.700 -0.258 0.000 1.311 581 E HN 0.322 nan 8.360 nan 0.000 0.460 582 S N 0.781 116.367 115.700 -0.190 0.000 2.439 582 S HA 0.091 5.025 4.470 0.774 0.000 0.282 582 S C 0.572 175.133 174.600 -0.066 0.000 1.170 582 S CA -0.353 57.903 58.200 0.093 0.000 1.054 582 S CB 0.035 63.366 63.200 0.219 0.000 0.956 582 S HN 0.670 nan 8.310 nan 0.000 0.490 583 Y N 5.653 125.771 120.300 -0.304 0.000 2.181 583 Y HA -0.148 4.866 4.550 0.773 0.000 0.288 583 Y C 2.435 178.028 175.900 -0.512 0.000 1.146 583 Y CA 2.093 59.711 58.100 -0.804 0.000 1.164 583 Y CB -0.140 37.711 38.460 -1.015 0.000 0.982 583 Y HN 0.797 nan 8.280 nan 0.000 0.515 584 R N 0.408 120.771 120.500 -0.228 0.000 2.096 584 R HA -0.232 4.572 4.340 0.774 0.000 0.240 584 R C 2.376 178.425 176.300 -0.418 0.000 1.139 584 R CA 1.613 57.566 56.100 -0.245 0.000 0.952 584 R CB -0.670 29.706 30.300 0.126 0.000 0.854 584 R HN 0.455 nan 8.270 nan 0.000 0.436 585 A N 0.132 122.813 122.820 -0.231 0.000 1.883 585 A HA -0.240 4.544 4.320 0.774 0.000 0.217 585 A C 2.047 179.442 177.584 -0.315 0.000 1.186 585 A CA 1.515 53.436 52.037 -0.194 0.000 0.624 585 A CB -1.055 17.903 19.000 -0.070 0.000 0.822 585 A HN 0.641 nan 8.150 nan 0.000 0.444 586 Y N 1.061 121.030 120.300 -0.553 0.000 2.081 586 Y HA -0.271 4.743 4.550 0.774 0.000 0.280 586 Y C 2.380 177.808 175.900 -0.787 0.000 1.163 586 Y CA 2.317 60.042 58.100 -0.625 0.000 1.135 586 Y CB -0.286 37.722 38.460 -0.753 0.000 0.970 586 Y HN 0.233 nan 8.280 nan 0.000 0.498 587 R N 0.711 120.413 120.500 -1.329 0.000 2.115 587 R HA -0.107 4.697 4.340 0.774 0.000 0.230 587 R C 2.096 177.725 176.300 -1.117 0.000 1.111 587 R CA 1.515 56.656 56.100 -1.599 0.000 0.976 587 R CB -0.821 27.881 30.300 -2.663 0.000 0.870 587 R HN 0.586 nan 8.270 nan 0.000 0.445 588 E N 0.633 120.342 120.200 -0.818 0.000 2.150 588 E HA -0.138 4.676 4.350 0.774 0.000 0.193 588 E C 1.244 177.664 176.600 -0.300 0.000 0.985 588 E CA 0.958 57.123 56.400 -0.391 0.000 0.814 588 E CB 0.031 29.616 29.700 -0.191 0.000 0.752 588 E HN 0.281 nan 8.360 nan 0.000 0.466 589 D N 0.599 120.794 120.400 -0.341 0.000 2.084 589 D HA -0.155 4.949 4.640 0.774 0.000 0.196 589 D C 1.904 178.045 176.300 -0.265 0.000 0.985 589 D CA 0.896 54.750 54.000 -0.243 0.000 0.826 589 D CB -0.231 40.449 40.800 -0.201 0.000 0.978 589 D HN 0.110 nan 8.370 nan 0.000 0.456 590 M N 0.469 119.813 119.600 -0.425 0.000 2.144 590 M HA -0.169 4.776 4.480 0.774 0.000 0.260 590 M C 2.186 178.348 176.300 -0.231 0.000 1.067 590 M CA 1.048 56.121 55.300 -0.377 0.000 1.095 590 M CB -0.033 32.200 32.600 -0.611 0.000 1.365 590 M HN 0.032 nan 8.290 nan 0.000 0.406 591 L N 0.104 121.183 121.223 -0.241 0.000 1.989 591 L HA -0.310 4.494 4.340 0.774 0.000 0.211 591 L C 2.371 179.199 176.870 -0.070 0.000 1.071 591 L CA 1.764 56.543 54.840 -0.102 0.000 0.749 591 L CB -0.405 41.631 42.059 -0.038 0.000 0.890 591 L HN 0.320 nan 8.230 nan 0.000 0.431 592 K N -0.641 119.710 120.400 -0.083 0.000 2.009 592 K HA -0.244 4.541 4.320 0.774 0.000 0.210 592 K C 2.171 178.744 176.600 -0.044 0.000 1.049 592 K CA 1.648 57.901 56.287 -0.056 0.000 0.929 592 K CB -0.179 32.287 32.500 -0.057 0.000 0.714 592 K HN 0.239 nan 8.250 nan 0.000 0.440 593 R N 0.907 121.375 120.500 -0.054 0.000 2.080 593 R HA -0.157 4.647 4.340 0.774 0.000 0.236 593 R C 2.044 178.351 176.300 0.012 0.000 1.137 593 R CA 2.025 58.112 56.100 -0.023 0.000 0.943 593 R CB -0.239 30.040 30.300 -0.036 0.000 0.846 593 R HN 0.182 nan 8.270 nan 0.000 0.431 594 D N -0.752 119.657 120.400 0.015 0.000 2.117 594 D HA -0.117 4.987 4.640 0.774 0.000 0.197 594 D C 1.815 178.111 176.300 -0.006 0.000 0.987 594 D CA 1.578 55.628 54.000 0.083 0.000 0.829 594 D CB -0.388 40.479 40.800 0.112 0.000 0.961 594 D HN 0.200 nan 8.370 nan 0.000 0.460 595 T N 0.915 115.441 114.554 -0.047 0.000 2.737 595 T HA -0.122 4.693 4.350 0.774 0.000 0.269 595 T C 2.132 176.787 174.700 -0.076 0.000 1.040 595 T CA 0.674 62.721 62.100 -0.088 0.000 1.142 595 T CB -0.211 68.622 68.868 -0.058 0.000 0.861 595 T HN 0.155 nan 8.240 nan 0.000 0.456 596 L N 0.305 121.511 121.223 -0.029 0.000 2.072 596 L HA -0.019 4.785 4.340 0.774 0.000 0.205 596 L C 2.798 179.687 176.870 0.031 0.000 1.079 596 L CA 1.122 55.959 54.840 -0.005 0.000 0.752 596 L CB -0.430 41.633 42.059 0.006 0.000 0.906 596 L HN 0.173 nan 8.230 nan 0.000 0.436 597 E N 0.597 120.844 120.200 0.077 0.000 2.110 597 E HA -0.233 4.581 4.350 0.774 0.000 0.193 597 E C 1.970 178.705 176.600 0.225 0.000 0.988 597 E CA 0.958 57.482 56.400 0.206 0.000 0.804 597 E CB -0.206 29.674 29.700 0.300 0.000 0.745 597 E HN 0.200 nan 8.360 nan 0.000 0.458 598 L N 0.701 121.855 121.223 -0.115 0.000 1.990 598 L HA -0.225 4.579 4.340 0.774 0.000 0.213 598 L C 2.244 179.070 176.870 -0.073 0.000 1.072 598 L CA 2.601 57.175 54.840 -0.443 0.000 0.755 598 L CB -1.255 40.392 42.059 -0.686 0.000 0.889 598 L HN 0.285 nan 8.230 nan 0.000 0.432 599 S N -0.703 114.965 115.700 -0.053 0.000 2.441 599 S HA -0.323 4.612 4.470 0.774 0.000 0.242 599 S C 2.145 176.764 174.600 0.031 0.000 1.018 599 S CA 1.413 59.605 58.200 -0.015 0.000 0.988 599 S CB -0.932 62.254 63.200 -0.024 0.000 0.778 599 S HN 0.634 nan 8.310 nan 0.000 0.498 600 R N -0.128 120.426 120.500 0.090 0.000 2.148 600 R HA -0.043 4.762 4.340 0.774 0.000 0.227 600 R C 1.079 177.325 176.300 -0.090 0.000 1.103 600 R CA 1.243 57.343 56.100 0.001 0.000 0.983 600 R CB -0.189 30.105 30.300 -0.008 0.000 0.874 600 R HN 0.587 nan 8.270 nan 0.000 0.451 601 Y N -0.965 119.348 120.300 0.022 0.000 2.458 601 Y HA 0.218 5.232 4.550 0.774 0.000 0.254 601 Y C 0.099 176.000 175.900 0.002 0.000 1.120 601 Y CA -0.261 57.865 58.100 0.044 0.000 1.282 601 Y CB 0.999 39.543 38.460 0.140 0.000 1.109 601 Y HN -0.228 nan 8.280 nan 0.000 0.526 602 V N 0.762 120.736 119.914 0.100 0.000 2.311 602 V HA 0.399 4.984 4.120 0.774 0.000 0.275 602 V C 1.040 177.139 176.094 0.009 0.000 1.022 602 V CA -0.377 61.944 62.300 0.034 0.000 0.830 602 V CB 0.627 32.442 31.823 -0.014 0.000 1.012 602 V HN 0.315 nan 8.190 nan 0.000 0.452 603 A N 4.355 127.179 122.820 0.007 0.000 1.903 603 A HA -0.180 4.605 4.320 0.774 0.000 0.219 603 A C 2.282 179.859 177.584 -0.012 0.000 1.191 603 A CA 2.522 54.555 52.037 -0.006 0.000 0.638 603 A CB -0.495 18.503 19.000 -0.004 0.000 0.823 603 A HN 1.016 nan 8.150 nan 0.000 0.451 604 S N -1.167 114.525 115.700 -0.013 0.000 2.515 604 S HA 0.180 5.114 4.470 0.774 0.000 0.231 604 S C 0.826 175.412 174.600 -0.024 0.000 0.987 604 S CA 0.221 58.410 58.200 -0.019 0.000 0.936 604 S CB -0.390 62.798 63.200 -0.020 0.000 0.766 604 S HN 0.477 nan 8.310 nan 0.000 0.528 605 M N 2.274 121.859 119.600 -0.025 0.000 2.180 605 M HA 0.461 5.405 4.480 0.774 0.000 0.358 605 M C 0.483 176.768 176.300 -0.026 0.000 1.233 605 M CA -0.404 54.877 55.300 -0.031 0.000 1.114 605 M CB 1.124 33.699 32.600 -0.042 0.000 1.594 605 M HN 0.281 nan 8.290 nan 0.000 0.467 606 A N 3.386 126.191 122.820 -0.026 0.000 2.466 606 A HA 0.116 4.900 4.320 0.774 0.000 0.238 606 A C 0.441 178.012 177.584 -0.021 0.000 1.074 606 A CA -0.140 51.884 52.037 -0.022 0.000 0.774 606 A CB 0.134 19.121 19.000 -0.021 0.000 1.015 606 A HN 0.905 nan 8.150 nan 0.000 0.498 607 R N 0.654 121.143 120.500 -0.018 0.000 4.219 607 R HA 0.034 4.838 4.340 0.774 0.000 0.203 607 R C -0.041 176.250 176.300 -0.015 0.000 2.173 607 R CA 0.740 56.831 56.100 -0.016 0.000 1.776 607 R CB -0.500 29.791 30.300 -0.015 0.000 1.150 607 R HN 0.792 nan 8.270 nan 0.000 0.637 608 Q N -1.665 118.124 119.800 -0.019 0.000 1.338 608 Q HA 0.024 4.828 4.340 0.774 0.000 0.125 608 Q C -1.127 174.859 176.000 -0.024 0.000 0.705 608 Q CA -0.078 55.713 55.803 -0.020 0.000 0.630 608 Q CB -0.054 28.675 28.738 -0.015 0.000 1.106 608 Q HN 0.449 nan 8.270 nan 0.000 0.350 609 A N 0.697 123.500 122.820 -0.028 0.000 2.454 609 A HA 0.651 5.435 4.320 0.774 0.000 0.260 609 A C 0.963 178.525 177.584 -0.037 0.000 1.106 609 A CA 0.694 52.713 52.037 -0.030 0.000 0.780 609 A CB 0.318 19.299 19.000 -0.031 0.000 1.044 609 A HN 0.303 nan 8.150 nan 0.000 0.498 610 G N 0.433 109.213 108.800 -0.034 0.000 2.597 610 G HA2 0.235 4.659 3.960 0.774 0.000 0.283 610 G HA3 0.235 4.659 3.960 0.774 0.000 0.283 610 G C 0.620 175.492 174.900 -0.048 0.000 1.319 610 G CA -0.334 44.744 45.100 -0.037 0.000 1.054 610 G HN 0.753 nan 8.290 nan 0.000 0.583 611 L N 0.956 122.150 121.223 -0.048 0.000 2.612 611 L HA 0.142 4.946 4.340 0.774 0.000 0.230 611 L C 2.882 179.721 176.870 -0.053 0.000 1.140 611 L CA 0.436 55.241 54.840 -0.058 0.000 0.896 611 L CB -0.474 41.553 42.059 -0.053 0.000 1.065 611 L HN 0.658 nan 8.230 nan 0.000 0.447 612 A N 0.747 123.541 122.820 -0.045 0.000 1.883 612 A HA -0.279 4.505 4.320 0.774 0.000 0.222 612 A C 1.973 179.529 177.584 -0.048 0.000 1.339 612 A CA 2.027 54.039 52.037 -0.042 0.000 0.692 612 A CB -0.421 18.557 19.000 -0.036 0.000 0.845 612 A HN 0.431 nan 8.150 nan 0.000 0.467 613 E N -0.260 119.910 120.200 -0.050 0.000 2.505 613 E HA 0.129 4.944 4.350 0.774 0.000 0.197 613 E C -0.295 176.267 176.600 -0.064 0.000 1.111 613 E CA 0.166 56.534 56.400 -0.053 0.000 0.887 613 E CB -0.361 29.310 29.700 -0.048 0.000 0.913 613 E HN 0.594 nan 8.360 nan 0.000 0.517 614 L N 0.934 122.115 121.223 -0.070 0.000 2.329 614 L HA 0.241 5.045 4.340 0.774 0.000 0.279 614 L C 0.847 177.661 176.870 -0.094 0.000 1.014 614 L CA -0.784 54.005 54.840 -0.084 0.000 0.814 614 L CB 1.645 43.651 42.059 -0.088 0.000 1.257 614 L HN -0.104 nan 8.230 nan 0.000 0.424 615 T N -1.083 113.401 114.554 -0.116 0.000 2.788 615 T HA 0.248 5.062 4.350 0.774 0.000 0.287 615 T C -1.952 172.655 174.700 -0.154 0.000 1.007 615 T CA -1.443 60.573 62.100 -0.141 0.000 1.005 615 T CB 1.297 70.056 68.868 -0.182 0.000 1.012 615 T HN 0.330 nan 8.240 nan 0.000 0.530 616 P HA 0.060 nan 4.420 nan 0.000 0.217 616 P C 1.671 178.839 177.300 -0.219 0.000 1.150 616 P CA 0.786 63.798 63.100 -0.147 0.000 0.832 616 P CB -0.097 31.524 31.700 -0.132 0.000 0.787 617 I N -0.150 120.186 120.570 -0.391 0.000 2.163 617 I HA -0.266 4.368 4.170 0.774 0.000 0.243 617 I C 1.892 177.750 176.117 -0.431 0.000 1.085 617 I CA 1.601 62.465 61.300 -0.727 0.000 1.347 617 I CB -0.846 36.538 38.000 -1.026 0.000 1.044 617 I HN -0.038 nan 8.210 nan 0.000 0.408 618 D N 1.016 121.245 120.400 -0.286 0.000 2.133 618 D HA -0.196 4.909 4.640 0.774 0.000 0.192 618 D C 2.326 178.565 176.300 -0.102 0.000 1.001 618 D CA 1.475 55.375 54.000 -0.167 0.000 0.844 618 D CB -0.326 40.395 40.800 -0.132 0.000 0.944 618 D HN 0.338 nan 8.370 nan 0.000 0.447 619 L N 0.943 122.112 121.223 -0.090 0.000 2.005 619 L HA -0.138 4.666 4.340 0.774 0.000 0.207 619 L C 2.488 179.377 176.870 0.031 0.000 1.072 619 L CA 0.988 55.812 54.840 -0.026 0.000 0.744 619 L CB -0.493 41.555 42.059 -0.018 0.000 0.895 619 L HN -0.076 nan 8.230 nan 0.000 0.433 620 E N 0.125 120.350 120.200 0.040 0.000 2.130 620 E HA -0.191 4.623 4.350 0.774 0.000 0.196 620 E C 2.325 179.027 176.600 0.170 0.000 0.998 620 E CA 1.220 57.711 56.400 0.153 0.000 0.806 620 E CB -0.334 29.533 29.700 0.279 0.000 0.738 620 E HN 0.330 nan 8.360 nan 0.000 0.459 621 V N 1.281 121.260 119.914 0.109 0.000 2.379 621 V HA -0.195 4.389 4.120 0.774 0.000 0.245 621 V C 2.486 178.627 176.094 0.077 0.000 1.044 621 V CA 1.120 63.482 62.300 0.104 0.000 1.036 621 V CB -0.396 31.451 31.823 0.040 0.000 0.664 621 V HN 0.198 nan 8.190 nan 0.000 0.453 622 L N -0.009 121.259 121.223 0.075 0.000 2.141 622 L HA -0.107 4.698 4.340 0.774 0.000 0.209 622 L C 2.577 179.544 176.870 0.162 0.000 1.094 622 L CA 1.406 56.329 54.840 0.138 0.000 0.763 622 L CB -0.587 41.554 42.059 0.136 0.000 0.908 622 L HN 0.370 nan 8.230 nan 0.000 0.437 623 A N -1.330 121.572 122.820 0.137 0.000 2.016 623 A HA -0.114 4.670 4.320 0.774 0.000 0.217 623 A C 0.593 178.238 177.584 0.102 0.000 1.162 623 A CA 1.088 53.204 52.037 0.131 0.000 0.662 623 A CB -0.024 19.064 19.000 0.148 0.000 0.812 623 A HN 0.359 nan 8.150 nan 0.000 0.450 624 D N -2.312 118.149 120.400 0.101 0.000 2.411 624 D HA 0.321 5.426 4.640 0.774 0.000 0.239 624 D C -2.572 173.768 176.300 0.066 0.000 1.307 624 D CA -1.492 52.563 54.000 0.092 0.000 0.930 624 D CB 1.100 41.976 40.800 0.127 0.000 1.395 624 D HN -0.118 nan 8.370 nan 0.000 0.536 625 P HA -0.062 nan 4.420 nan 0.000 0.226 625 P C 1.197 178.502 177.300 0.009 0.000 1.146 625 P CA 0.495 63.601 63.100 0.010 0.000 0.773 625 P CB 0.263 31.948 31.700 -0.026 0.000 0.772 626 N N -0.248 118.474 118.700 0.038 0.000 2.309 626 N HA -0.100 5.104 4.740 0.774 0.000 0.182 626 N C 1.299 176.737 175.510 -0.120 0.000 1.018 626 N CA 0.900 53.991 53.050 0.069 0.000 0.876 626 N CB -0.039 38.573 38.487 0.208 0.000 0.972 626 N HN 0.193 nan 8.380 nan 0.000 0.434 627 K N 0.257 120.488 120.400 -0.281 0.000 2.442 627 K HA -0.096 4.688 4.320 0.774 0.000 0.198 627 K C 1.444 177.747 176.600 -0.495 0.000 1.044 627 K CA 0.317 56.125 56.287 -0.797 0.000 0.948 627 K CB 0.099 32.378 32.500 -0.368 0.000 0.762 627 K HN 0.056 nan 8.250 nan 0.000 0.472 628 L N 0.714 121.846 121.223 -0.151 0.000 2.418 628 L HA -0.048 4.756 4.340 0.774 0.000 0.218 628 L C 1.240 178.103 176.870 -0.012 0.000 1.125 628 L CA 1.587 56.426 54.840 -0.002 0.000 0.835 628 L CB 0.074 42.164 42.059 0.051 0.000 0.953 628 L HN 0.033 nan 8.230 nan 0.000 0.454 629 Q N -2.133 117.643 119.800 -0.040 0.000 2.204 629 Q HA 0.073 4.877 4.340 0.774 0.000 0.209 629 Q C -0.185 175.890 176.000 0.123 0.000 0.861 629 Q CA 0.077 55.916 55.803 0.060 0.000 0.971 629 Q CB 0.403 29.202 28.738 0.101 0.000 1.095 629 Q HN 0.649 nan 8.270 nan 0.000 0.486 630 Y N -4.789 115.489 120.300 -0.036 0.000 2.786 630 Y HA 0.356 5.370 4.550 0.773 0.000 0.307 630 Y C 0.721 176.499 175.900 -0.203 0.000 0.927 630 Y CA -0.403 57.642 58.100 -0.093 0.000 1.089 630 Y CB -0.025 38.379 38.460 -0.094 0.000 1.441 630 Y HN -0.123 nan 8.280 nan 0.000 0.584 631 K N -0.846 119.276 120.400 -0.462 0.000 2.493 631 K HA 0.226 5.010 4.320 0.774 0.000 0.201 631 K C -0.417 175.794 176.600 -0.648 0.000 1.355 631 K CA 0.161 56.042 56.287 -0.675 0.000 0.953 631 K CB 0.976 32.723 32.500 -1.255 0.000 1.316 631 K HN 0.125 nan 8.250 nan 0.000 0.522 632 W N 0.435 121.602 121.300 -0.222 0.000 3.017 632 W HA 0.404 5.528 4.660 0.773 0.000 0.341 632 W C -0.229 176.224 176.519 -0.110 0.000 1.180 632 W CA -0.619 56.616 57.345 -0.183 0.000 1.097 632 W CB 0.749 30.111 29.460 -0.163 0.000 1.468 632 W HN -0.157 nan 8.180 nan 0.000 0.584 633 T N -1.243 113.422 114.554 0.184 0.000 2.906 633 T HA 0.158 4.973 4.350 0.774 0.000 0.295 633 T C 0.809 175.582 174.700 0.122 0.000 1.075 633 T CA -0.305 61.885 62.100 0.151 0.000 1.005 633 T CB 1.772 70.728 68.868 0.146 0.000 1.136 633 T HN 0.570 nan 8.240 nan 0.000 0.498 634 E N 1.856 122.125 120.200 0.115 0.000 2.233 634 E HA -0.289 4.525 4.350 0.774 0.000 0.210 634 E C 1.875 178.397 176.600 -0.130 0.000 1.046 634 E CA 2.160 58.509 56.400 -0.085 0.000 0.844 634 E CB -0.502 28.997 29.700 -0.334 0.000 0.741 634 E HN 0.744 nan 8.360 nan 0.000 0.465 635 A N 0.962 123.753 122.820 -0.047 0.000 1.969 635 A HA -0.163 4.621 4.320 0.774 0.000 0.218 635 A C 1.659 179.217 177.584 -0.044 0.000 1.169 635 A CA 1.556 53.561 52.037 -0.053 0.000 0.635 635 A CB -0.226 18.756 19.000 -0.029 0.000 0.810 635 A HN 0.369 nan 8.150 nan 0.000 0.445 636 D N -0.504 119.882 120.400 -0.024 0.000 2.363 636 D HA 0.087 5.191 4.640 0.774 0.000 0.226 636 D C 0.063 176.243 176.300 -0.199 0.000 1.020 636 D CA 0.444 54.376 54.000 -0.113 0.000 0.892 636 D CB 0.130 40.825 40.800 -0.175 0.000 0.900 636 D HN 0.203 nan 8.370 nan 0.000 0.531 637 V N 1.061 120.908 119.914 -0.113 0.000 2.513 637 V HA 0.134 4.719 4.120 0.774 0.000 0.299 637 V C 0.467 176.526 176.094 -0.060 0.000 1.035 637 V CA -0.884 61.360 62.300 -0.093 0.000 0.889 637 V CB 1.986 33.829 31.823 0.033 0.000 0.988 637 V HN -0.076 nan 8.190 nan 0.000 0.440 638 S N 3.093 118.749 115.700 -0.073 0.000 2.558 638 S HA 0.129 5.063 4.470 0.774 0.000 0.293 638 S C 1.512 176.106 174.600 -0.010 0.000 1.292 638 S CA 0.222 58.390 58.200 -0.053 0.000 1.063 638 S CB 1.062 64.225 63.200 -0.062 0.000 0.831 638 S HN 1.044 nan 8.310 nan 0.000 0.499 639 A N 4.347 127.155 122.820 -0.020 0.000 1.873 639 A HA -0.239 4.545 4.320 0.774 0.000 0.218 639 A C 2.092 179.694 177.584 0.029 0.000 1.193 639 A CA 1.924 53.961 52.037 -0.000 0.000 0.629 639 A CB -0.871 18.114 19.000 -0.025 0.000 0.826 639 A HN 0.938 nan 8.150 nan 0.000 0.447 640 N N 0.206 118.909 118.700 0.005 0.000 2.348 640 N HA -0.148 5.056 4.740 0.774 0.000 0.185 640 N C 1.354 176.874 175.510 0.016 0.000 1.019 640 N CA 1.776 54.829 53.050 0.006 0.000 0.880 640 N CB -0.450 38.030 38.487 -0.011 0.000 0.965 640 N HN 0.425 nan 8.380 nan 0.000 0.437 641 I N 1.015 121.595 120.570 0.016 0.000 2.400 641 I HA -0.104 4.530 4.170 0.774 0.000 0.248 641 I C 2.480 178.618 176.117 0.036 0.000 1.109 641 I CA 0.694 62.000 61.300 0.011 0.000 1.425 641 I CB -1.494 36.496 38.000 -0.018 0.000 1.094 641 I HN 0.258 nan 8.210 nan 0.000 0.425 642 H N 2.031 121.090 119.070 -0.019 0.000 2.353 642 H HA -0.192 4.828 4.556 0.774 0.000 0.298 642 H C 1.837 177.168 175.328 0.005 0.000 1.103 642 H CA 1.991 58.035 56.048 -0.006 0.000 1.293 642 H CB 0.295 30.049 29.762 -0.013 0.000 1.372 642 H HN 0.417 nan 8.280 nan 0.000 0.501 643 E N -0.202 120.056 120.200 0.096 0.000 2.171 643 E HA -0.139 4.675 4.350 0.774 0.000 0.197 643 E C 2.433 179.047 176.600 0.024 0.000 0.997 643 E CA 1.097 57.523 56.400 0.043 0.000 0.810 643 E CB 0.049 29.766 29.700 0.029 0.000 0.738 643 E HN 0.253 nan 8.360 nan 0.000 0.467 644 V N 1.165 121.098 119.914 0.032 0.000 2.343 644 V HA -0.245 4.339 4.120 0.774 0.000 0.247 644 V C 2.112 178.231 176.094 0.041 0.000 1.051 644 V CA 1.566 63.909 62.300 0.072 0.000 1.036 644 V CB -0.257 31.621 31.823 0.092 0.000 0.654 644 V HN 0.268 nan 8.190 nan 0.000 0.451 645 L N -1.765 119.431 121.223 -0.044 0.000 2.298 645 L HA 0.162 4.967 4.340 0.774 0.000 0.209 645 L C 0.855 177.665 176.870 -0.100 0.000 1.084 645 L CA 0.506 55.294 54.840 -0.087 0.000 0.816 645 L CB -0.096 41.875 42.059 -0.146 0.000 0.967 645 L HN 0.262 nan 8.230 nan 0.000 0.460 646 M N -1.348 118.169 119.600 -0.138 0.000 2.716 646 M HA 0.436 5.380 4.480 0.774 0.000 0.307 646 M C -0.965 175.375 176.300 0.067 0.000 1.223 646 M CA -0.348 54.922 55.300 -0.050 0.000 0.871 646 M CB 2.010 34.544 32.600 -0.111 0.000 1.739 646 M HN -0.089 nan 8.290 nan 0.000 0.475 647 H N -0.459 118.628 119.070 0.027 0.000 2.894 647 H HA 0.705 5.725 4.556 0.774 0.000 0.367 647 H C -1.425 173.941 175.328 0.064 0.000 1.144 647 H CA -0.228 55.846 56.048 0.043 0.000 1.180 647 H CB 2.111 31.887 29.762 0.024 0.000 1.758 647 H HN 0.827 nan 8.280 nan 0.000 0.541 648 G N 1.850 110.705 108.800 0.092 0.000 2.644 648 G HA2 0.531 4.956 3.960 0.774 0.000 0.307 648 G HA3 0.531 4.956 3.960 0.774 0.000 0.307 648 G C -0.857 174.177 174.900 0.223 0.000 1.250 648 G CA -0.553 44.652 45.100 0.175 0.000 0.996 648 G HN 0.422 nan 8.290 nan 0.000 0.489 649 V N 0.237 120.242 119.914 0.153 0.000 2.837 649 V HA 0.464 5.049 4.120 0.774 0.000 0.310 649 V C 0.770 176.915 176.094 0.084 0.000 1.059 649 V CA -0.812 61.561 62.300 0.121 0.000 1.004 649 V CB 1.409 33.287 31.823 0.092 0.000 1.045 649 V HN 0.962 nan 8.190 nan 0.000 0.465 650 S N 1.467 117.210 115.700 0.071 0.000 2.546 650 S HA 0.072 5.006 4.470 0.774 0.000 0.290 650 S C 1.160 175.790 174.600 0.050 0.000 1.290 650 S CA -0.449 57.783 58.200 0.053 0.000 1.069 650 S CB 0.750 63.977 63.200 0.046 0.000 0.846 650 S HN 0.591 nan 8.310 nan 0.000 0.495 651 V N 2.141 122.079 119.914 0.040 0.000 2.469 651 V HA -0.207 4.377 4.120 0.774 0.000 0.251 651 V C 2.313 178.435 176.094 0.046 0.000 1.064 651 V CA 2.104 64.428 62.300 0.041 0.000 1.066 651 V CB -1.459 30.379 31.823 0.025 0.000 0.667 651 V HN 0.805 nan 8.190 nan 0.000 0.461 652 E N 0.917 121.141 120.200 0.040 0.000 2.012 652 E HA -0.192 4.622 4.350 0.774 0.000 0.197 652 E C 2.222 178.856 176.600 0.057 0.000 1.007 652 E CA 1.296 57.720 56.400 0.040 0.000 0.816 652 E CB -0.459 29.261 29.700 0.032 0.000 0.762 652 E HN 0.469 nan 8.360 nan 0.000 0.451 653 K N 0.202 120.637 120.400 0.058 0.000 2.074 653 K HA -0.158 4.627 4.320 0.774 0.000 0.209 653 K C 2.458 179.124 176.600 0.110 0.000 1.048 653 K CA 1.988 58.318 56.287 0.070 0.000 0.926 653 K CB -0.902 31.628 32.500 0.050 0.000 0.713 653 K HN 0.468 nan 8.250 nan 0.000 0.444 654 T N -1.027 113.591 114.554 0.107 0.000 2.770 654 T HA -0.130 4.684 4.350 0.774 0.000 0.263 654 T C 1.960 176.780 174.700 0.200 0.000 1.039 654 T CA 1.183 63.383 62.100 0.167 0.000 1.142 654 T CB -0.171 68.773 68.868 0.126 0.000 0.868 654 T HN 0.346 nan 8.240 nan 0.000 0.435 655 E N 1.304 121.572 120.200 0.114 0.000 2.097 655 E HA -0.294 4.521 4.350 0.774 0.000 0.196 655 E C 2.544 179.188 176.600 0.073 0.000 1.000 655 E CA 1.247 57.692 56.400 0.074 0.000 0.804 655 E CB -0.224 29.500 29.700 0.041 0.000 0.740 655 E HN 0.569 nan 8.360 nan 0.000 0.454 656 R N -0.547 120.008 120.500 0.093 0.000 2.081 656 R HA -0.172 4.632 4.340 0.774 0.000 0.235 656 R C 2.370 178.739 176.300 0.115 0.000 1.131 656 R CA 1.534 57.683 56.100 0.082 0.000 0.960 656 R CB -0.461 29.888 30.300 0.082 0.000 0.856 656 R HN 0.269 nan 8.270 nan 0.000 0.436 657 F N 1.084 121.063 119.950 0.047 0.000 2.046 657 F HA -0.228 4.763 4.527 0.773 0.000 0.297 657 F C 1.874 177.724 175.800 0.082 0.000 1.123 657 F CA 1.409 59.464 58.000 0.091 0.000 1.199 657 F CB -0.654 38.410 39.000 0.106 0.000 0.972 657 F HN 0.037 nan 8.300 nan 0.000 0.474 658 L N 1.006 122.180 121.223 -0.081 0.000 2.081 658 L HA -0.208 4.596 4.340 0.774 0.000 0.212 658 L C 2.640 179.336 176.870 -0.291 0.000 1.080 658 L CA 1.950 56.638 54.840 -0.252 0.000 0.754 658 L CB -0.895 41.132 42.059 -0.053 0.000 0.893 658 L HN 0.207 nan 8.230 nan 0.000 0.433 659 R N -1.032 119.372 120.500 -0.160 0.000 2.152 659 R HA -0.126 4.678 4.340 0.774 0.000 0.232 659 R C 2.154 178.360 176.300 -0.158 0.000 1.117 659 R CA 1.374 57.391 56.100 -0.139 0.000 0.981 659 R CB -0.130 30.131 30.300 -0.065 0.000 0.870 659 R HN 0.584 nan 8.270 nan 0.000 0.451 660 S N -1.793 113.814 115.700 -0.155 0.000 2.575 660 S HA 0.086 5.021 4.470 0.774 0.000 0.215 660 S C 1.466 175.989 174.600 -0.128 0.000 0.966 660 S CA -0.004 58.165 58.200 -0.051 0.000 0.911 660 S CB 0.757 64.016 63.200 0.099 0.000 0.780 660 S HN 0.090 nan 8.310 nan 0.000 0.514 661 V N 1.403 121.051 119.914 -0.443 0.000 2.490 661 V HA 0.269 4.853 4.120 0.774 0.000 0.238 661 V C 1.457 177.047 176.094 -0.839 0.000 1.056 661 V CA 0.721 62.562 62.300 -0.765 0.000 1.075 661 V CB -0.360 30.821 31.823 -1.071 0.000 0.746 661 V HN 0.444 nan 8.190 nan 0.000 0.479 662 M N 1.466 120.590 119.600 -0.793 0.000 2.219 662 M HA 0.069 5.013 4.480 0.774 0.000 0.307 662 M C -1.036 174.890 176.300 -0.623 0.000 1.116 662 M CA -0.607 54.150 55.300 -0.906 0.000 1.181 662 M CB 0.195 32.442 32.600 -0.589 0.000 1.410 662 M HN 0.079 nan 8.290 nan 0.000 0.454 663 P HA 0.024 nan 4.420 nan 0.000 0.215 663 P C 0.151 177.342 177.300 -0.182 0.000 1.160 663 P CA 1.351 64.284 63.100 -0.279 0.000 0.869 663 P CB 0.567 32.166 31.700 -0.169 0.000 0.782 664 R N 0.000 120.405 120.500 -0.159 0.000 2.786 664 R HA 0.000 4.804 4.340 0.774 0.000 0.208 664 R CA 0.000 56.038 56.100 -0.103 0.000 0.921 664 R CB 0.000 30.265 30.300 -0.058 0.000 0.687 664 R HN 0.000 nan 8.270 nan 0.000 0.535