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_Q 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 2.054 122.533 120.500 -0.036 0.000 2.011 2 R HA -0.096 4.244 4.340 -0.000 0.000 0.379 2 R C -0.500 175.769 176.300 -0.051 0.000 1.107 2 R CA 0.703 56.783 56.100 -0.034 0.000 0.754 2 R CB -0.691 29.596 30.300 -0.021 0.000 2.460 2 R HN 0.636 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 5.011 4.340 -0.000 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 31.391 30.300 -0.106 0.000 1.007 3 R HN 0.519 nan 8.270 nan 0.000 0.466 4 A N 5.229 127.992 122.820 -0.094 0.000 2.498 4 A HA 0.269 4.589 4.320 -0.000 0.000 0.239 4 A C -1.878 175.658 177.584 -0.079 0.000 1.068 4 A CA -1.286 50.714 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 0.120 63.111 63.100 -0.182 0.000 0.781 5 P CB 1.284 32.942 31.700 -0.070 0.000 0.906 6 A N 3.222 125.751 122.820 -0.484 0.000 2.393 6 A HA 0.759 5.079 4.320 -0.000 0.000 0.306 6 A C -1.290 175.989 177.584 -0.509 0.000 1.050 6 A CA -0.518 51.375 52.037 -0.240 0.000 0.724 6 A CB 0.859 19.972 19.000 0.188 0.000 1.248 6 A HN 0.353 nan 8.150 nan 0.000 0.424 7 F N 2.369 122.432 119.950 0.188 0.000 2.532 7 F HA 0.643 5.170 4.527 -0.000 0.000 0.321 7 F C -2.190 173.728 175.800 0.196 0.000 1.089 7 F CA -2.563 55.537 58.000 0.167 0.000 0.926 7 F CB 1.990 41.082 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 -0.397 62.865 63.100 0.270 0.000 0.801 8 P CB 1.551 33.355 31.700 0.174 0.000 1.006 9 L N 2.832 124.263 121.223 0.348 0.000 2.189 9 L HA -0.213 4.127 4.340 -0.000 0.000 0.214 9 L C 2.168 179.179 176.870 0.236 0.000 1.097 9 L CA 2.661 57.722 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 0.480 nan 8.230 nan 0.000 0.436 10 S N -2.228 113.580 115.700 0.180 0.000 2.489 10 S HA -0.074 4.396 4.470 -0.000 0.000 0.228 10 S C 1.004 175.686 174.600 0.137 0.000 0.995 10 S CA 0.076 58.353 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 1.123 121.631 120.400 0.180 0.000 2.382 11 D HA 0.052 4.692 4.640 -0.000 0.000 0.245 11 D C 1.139 177.508 176.300 0.114 0.000 1.120 11 D CA -0.225 53.876 54.000 0.169 0.000 0.890 11 D CB 0.894 41.854 40.800 0.267 0.000 1.201 11 D HN 0.138 nan 8.370 nan 0.000 0.433 12 I N 4.255 124.870 120.570 0.075 0.000 2.399 12 I HA -0.255 3.915 4.170 -0.000 0.000 0.254 12 I C 1.941 178.055 176.117 -0.006 0.000 1.146 12 I CA 1.593 62.919 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 0.212 120.558 120.400 -0.091 0.000 2.148 13 K HA -0.027 4.293 4.320 -0.000 0.000 0.204 13 K C 2.112 178.629 176.600 -0.138 0.000 1.050 13 K CA 1.183 57.332 56.287 -0.230 0.000 0.942 13 K CB -0.240 31.883 32.500 -0.627 0.000 0.724 13 K HN 0.483 nan 8.250 nan 0.000 0.446 14 A N 1.090 123.919 122.820 0.014 0.000 1.855 14 A HA -0.126 4.193 4.320 -0.000 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 18.942 19.000 0.360 0.000 0.837 14 A HN 0.113 nan 8.150 nan 0.000 0.444 15 Q N -0.198 119.715 119.800 0.188 0.000 2.133 15 Q HA -0.184 4.155 4.340 -0.000 0.000 0.208 15 Q C 1.918 178.019 176.000 0.170 0.000 0.991 15 Q CA 1.623 57.553 55.803 0.212 0.000 0.867 15 Q CB -0.523 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 0.114 119.759 119.600 0.074 0.000 2.722 16 M HA -0.034 4.445 4.480 -0.000 0.000 0.238 16 M C 1.410 177.736 176.300 0.043 0.000 1.098 16 M CA 0.593 55.943 55.300 0.082 0.000 1.062 16 M CB -0.137 32.522 32.600 0.099 0.000 1.573 16 M HN 0.129 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 4.493 4.340 -0.000 0.000 0.223 17 L C -0.289 176.127 176.870 -0.757 0.000 1.113 17 L CA 0.135 54.623 54.840 -0.586 0.000 0.861 17 L CB 0.156 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 0.054 120.032 119.950 0.046 0.000 2.507 18 F HA 0.597 5.124 4.527 -0.000 0.000 0.328 18 F C 0.593 176.424 175.800 0.053 0.000 1.136 18 F CA -1.070 56.968 58.000 0.062 0.000 0.930 18 F CB 0.827 39.793 39.000 -0.056 0.000 1.166 18 F HN -0.234 nan 8.300 nan 0.000 0.436 19 A N 1.687 124.641 122.820 0.225 0.000 2.386 19 A HA 0.149 4.469 4.320 -0.000 0.000 0.246 19 A C 0.564 178.255 177.584 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 1.012 119.796 118.700 0.140 0.000 3.193 20 N HA 0.101 4.841 4.740 -0.000 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 0.740 nan 8.380 nan 0.000 0.548 21 N N -0.637 118.116 118.700 0.088 0.000 2.610 21 N HA 0.274 5.013 4.740 -0.000 0.000 0.264 21 N C 0.633 176.165 175.510 0.038 0.000 1.348 21 N CA -0.792 52.296 53.050 0.064 0.000 0.819 21 N CB 0.631 39.170 38.487 0.086 0.000 1.521 21 N HN -0.249 nan 8.380 nan 0.000 0.497 22 I N 0.087 120.667 120.570 0.017 0.000 2.142 22 I HA -0.184 3.985 4.170 -0.000 0.000 0.240 22 I C 1.897 177.999 176.117 -0.026 0.000 1.078 22 I CA 1.261 62.556 61.300 -0.009 0.000 1.343 22 I CB -1.209 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 -0.247 4.073 4.320 -0.000 0.000 0.222 23 K C 2.210 178.749 176.600 -0.102 0.000 1.056 23 K CA 2.103 58.386 56.287 -0.007 0.000 0.957 23 K CB -0.971 31.575 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 -0.021 0.000 1.851 24 A HA -0.241 4.079 4.320 -0.000 0.000 0.216 24 A C 2.272 179.682 177.584 -0.289 0.000 1.195 24 A CA 1.843 53.804 52.037 -0.127 0.000 0.622 24 A CB -0.561 18.597 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 4.063 4.340 -0.000 0.000 0.208 25 Q C 2.172 178.002 176.000 -0.284 0.000 0.993 25 Q CA 2.180 57.856 55.803 -0.211 0.000 0.862 25 Q CB -0.665 28.011 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 -0.209 0.000 2.135 26 Q HA -0.122 4.217 4.340 -0.000 0.000 0.204 26 Q C 1.943 177.814 176.000 -0.216 0.000 0.981 26 Q CA 1.441 57.141 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 0.525 123.109 122.820 -0.395 0.000 1.929 27 A HA -0.166 4.154 4.320 -0.000 0.000 0.216 27 A C 2.187 179.595 177.584 -0.293 0.000 1.176 27 A CA 1.518 53.305 52.037 -0.418 0.000 0.628 27 A CB -0.575 17.750 19.000 -1.126 0.000 0.816 27 A HN 0.446 nan 8.150 nan 0.000 0.444 28 S N 0.170 115.427 115.700 -0.739 0.000 2.382 28 S HA -0.164 4.306 4.470 -0.000 0.000 0.228 28 S C 1.706 176.212 174.600 -0.157 0.000 1.027 28 S CA 1.614 59.212 58.200 -1.004 0.000 0.991 28 S CB -0.302 61.744 63.200 -1.923 0.000 0.823 28 S HN 0.611 nan 8.310 nan 0.000 0.469 29 K N 0.118 120.438 120.400 -0.133 0.000 2.352 29 K HA 0.265 4.585 4.320 -0.000 0.000 0.194 29 K C 0.640 177.311 176.600 0.118 0.000 1.038 29 K CA -0.308 55.962 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 2.669 123.249 120.500 0.133 0.000 2.560 30 R HA -0.098 4.242 4.340 -0.000 0.000 0.296 30 R C -0.288 176.189 176.300 0.296 0.000 0.873 30 R CA 0.382 56.575 56.100 0.156 0.000 1.140 30 R CB -0.082 30.303 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 4.840 4.470 -0.000 0.000 0.283 31 S C -0.100 174.628 174.600 0.212 0.000 1.161 31 S CA -0.973 57.387 58.200 0.266 0.000 0.999 31 S CB 0.691 63.999 63.200 0.180 0.000 1.039 31 S HN 0.497 nan 8.310 nan 0.000 0.548 32 F N 1.413 121.434 119.950 0.119 0.000 2.629 32 F HA 0.378 4.905 4.527 -0.000 0.000 0.377 32 F C 0.210 176.053 175.800 0.072 0.000 1.101 32 F CA 0.758 58.802 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 4.429 124.327 120.400 -0.837 0.000 2.498 33 K HA 0.406 4.725 4.320 -0.000 0.000 0.254 33 K C -1.403 174.767 176.600 -0.716 0.000 0.933 33 K CA -0.772 55.192 56.287 -0.539 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 0.626 120.570 120.200 -0.427 0.000 2.454 34 E HA 0.837 5.187 4.350 -0.000 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 2.031 31.616 29.700 -0.191 0.000 1.405 34 E HN 0.606 nan 8.360 nan 0.000 0.463 35 G N -0.454 107.767 108.800 -0.965 0.000 2.322 35 G HA2 0.440 4.400 3.960 -0.000 0.000 0.289 35 G HA3 0.440 4.400 3.960 -0.000 0.000 0.289 35 G C -0.867 173.495 174.900 -0.895 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 1.189 123.675 122.820 -0.557 0.000 2.565 36 A HA 0.485 4.805 4.320 -0.000 0.000 0.237 36 A C 1.088 178.593 177.584 -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 18.757 19.000 0.118 0.000 0.980 36 A HN 1.955 nan 8.150 nan 0.000 0.506 37 I N -0.691 119.835 120.570 -0.073 0.000 2.713 37 I HA 0.419 4.589 4.170 -0.000 0.000 0.300 37 I C 0.355 176.464 176.117 -0.013 0.000 1.009 37 I CA -0.582 60.689 61.300 -0.048 0.000 1.305 37 I CB 1.107 39.088 38.000 -0.031 0.000 1.430 37 I HN 0.702 nan 8.210 nan 0.000 0.546 38 E N 3.283 123.470 120.200 -0.021 0.000 1.861 38 E HA 0.108 4.458 4.350 -0.000 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 3.322 117.836 114.554 -0.067 0.000 2.624 39 T HA -0.194 4.156 4.350 -0.000 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 -0.407 119.915 120.300 0.037 0.000 2.581 40 Y HA 0.378 4.928 4.550 -0.001 0.000 0.345 40 Y C -0.118 175.807 175.900 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 0.993 121.322 120.200 0.214 0.000 2.868 41 E HA 0.164 4.514 4.350 -0.000 0.000 0.246 41 E C 0.714 177.386 176.600 0.120 0.000 0.962 41 E CA 1.550 58.021 56.400 0.119 0.000 0.955 41 E CB -0.083 29.669 29.700 0.087 0.000 0.903 41 E HN 0.910 nan 8.360 nan 0.000 0.524 42 G N 3.519 112.363 108.800 0.073 0.000 2.148 42 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.254 42 G HA3 -0.278 3.682 3.960 -0.000 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 0.643 4.982 4.340 -0.000 0.000 0.275 43 L C -0.633 176.227 176.870 -0.017 0.000 0.987 43 L CA -1.084 53.764 54.840 0.012 0.000 0.828 43 L CB 1.338 43.396 42.059 -0.001 0.000 1.249 43 L HN 0.008 nan 8.230 nan 0.000 0.409 44 L N 3.116 124.340 121.223 0.001 0.000 2.292 44 L HA 0.235 4.575 4.340 -0.000 0.000 0.284 44 L C 1.555 178.473 176.870 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 2.367 118.147 115.700 0.134 0.000 2.420 45 S HA -0.144 4.326 4.470 -0.000 0.000 0.237 45 S C 1.140 175.986 174.600 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 62.832 63.200 0.282 0.000 0.792 45 S HN 0.588 nan 8.310 nan 0.000 0.488 46 V N -1.146 118.929 119.914 0.267 0.000 3.542 46 V HA 0.290 4.410 4.120 -0.000 0.000 0.296 46 V C 0.393 176.557 176.094 0.117 0.000 1.364 46 V CA -0.309 62.108 62.300 0.194 0.000 1.118 46 V CB -0.800 31.129 31.823 0.177 0.000 0.972 46 V HN 0.309 nan 8.190 nan 0.000 0.430 47 D N 2.309 122.797 120.400 0.147 0.000 2.533 47 D HA 0.060 4.700 4.640 -0.000 0.000 0.236 47 D C -1.356 174.960 176.300 0.027 0.000 1.137 47 D CA -1.115 52.928 54.000 0.073 0.000 0.867 47 D CB 1.949 42.797 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 1.425 64.444 63.100 -0.136 0.000 0.858 48 P CB 0.231 31.849 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 4.185 4.340 -0.000 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 28.192 30.300 -1.183 0.000 0.842 49 R HN 0.118 nan 8.270 nan 0.000 0.430 50 F N 1.290 121.059 119.950 -0.302 0.000 2.091 50 F HA -0.194 4.333 4.527 -0.000 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 -0.446 38.686 39.000 0.221 0.000 0.984 50 F HN -0.046 nan 8.300 nan 0.000 0.477 51 L N -1.105 120.118 121.223 0.001 0.000 2.079 51 L HA -0.259 4.080 4.340 -0.000 0.000 0.210 51 L C 2.711 179.442 176.870 -0.232 0.000 1.081 51 L CA 1.665 56.344 54.840 -0.268 0.000 0.752 51 L CB -1.123 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 0.029 115.624 115.700 -0.175 0.000 2.355 52 S HA -0.229 4.241 4.470 -0.000 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 -0.377 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 2.148 121.982 119.950 -0.192 0.000 2.091 53 F HA -0.102 4.425 4.527 -0.000 0.000 0.299 53 F C 2.138 177.850 175.800 -0.147 0.000 1.103 53 F CA 2.101 60.006 58.000 -0.158 0.000 1.228 53 F CB -0.580 38.337 39.000 -0.138 0.000 0.984 53 F HN 0.148 nan 8.300 nan 0.000 0.477 54 K N 0.088 120.239 120.400 -0.415 0.000 2.026 54 K HA -0.266 4.054 4.320 -0.000 0.000 0.208 54 K C 1.994 178.496 176.600 -0.163 0.000 1.048 54 K CA 1.721 57.754 56.287 -0.425 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 0.940 119.683 118.700 0.072 0.000 2.120 55 N HA -0.229 4.511 4.740 -0.000 0.000 0.188 55 N C 1.760 177.294 175.510 0.040 0.000 1.024 55 N CA 1.582 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 4.214 4.350 -0.000 0.000 0.190 56 E C 1.856 178.414 176.600 -0.070 0.000 0.979 56 E CA 0.565 56.950 56.400 -0.025 0.000 0.807 56 E CB -0.107 29.571 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 -0.192 4.148 4.340 -0.000 0.000 0.208 57 L C 2.542 179.336 176.870 -0.126 0.000 1.071 57 L CA 2.515 57.169 54.840 -0.311 0.000 0.745 57 L CB -0.967 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 -0.573 115.074 115.700 -0.087 0.000 2.353 58 S HA -0.277 4.193 4.470 -0.000 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 4.221 4.340 -0.000 0.000 0.240 59 R C 2.370 178.844 176.300 0.289 0.000 1.139 59 R CA 1.924 58.294 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 1.495 121.840 120.300 0.075 0.000 2.070 60 Y HA -0.238 4.311 4.550 -0.000 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 0.015 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 -0.571 120.705 121.223 0.089 0.000 1.997 61 L HA -0.339 4.000 4.340 -0.000 0.000 0.216 61 L C 2.342 179.229 176.870 0.029 0.000 1.074 61 L CA 2.141 56.888 54.840 -0.155 0.000 0.763 61 L CB -1.220 40.177 42.059 -1.105 0.000 0.890 61 L HN 0.317 nan 8.230 nan 0.000 0.434 62 T N -1.174 113.459 114.554 0.132 0.000 2.635 62 T HA -0.266 4.083 4.350 -0.000 0.000 0.267 62 T C 1.619 176.396 174.700 0.128 0.000 1.040 62 T CA 1.770 63.995 62.100 0.207 0.000 1.156 62 T CB -0.348 68.391 68.868 -0.216 0.000 0.863 62 T HN 0.384 nan 8.240 nan 0.000 0.430 63 D N 0.421 120.871 120.400 0.083 0.000 2.087 63 D HA -0.126 4.514 4.640 -0.000 0.000 0.192 63 D C 1.947 178.171 176.300 -0.128 0.000 0.993 63 D CA 1.350 55.359 54.000 0.016 0.000 0.828 63 D CB -0.185 40.649 40.800 0.057 0.000 0.968 63 D HN 0.449 nan 8.370 nan 0.000 0.448 64 H N -1.846 116.957 119.070 -0.444 0.000 2.546 64 H HA 0.095 4.651 4.556 -0.000 0.000 0.277 64 H C -0.079 174.728 175.328 -0.868 0.000 1.004 64 H CA 0.499 56.109 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 0.074 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 4.799 4.527 -0.000 0.000 0.336 65 F C -2.403 173.496 175.800 0.165 0.000 1.437 65 F CA -2.644 55.438 58.000 0.138 0.000 1.142 65 F CB 0.870 39.991 39.000 0.202 0.000 1.530 65 F HN -0.101 nan 8.300 nan 0.000 0.591 66 P HA 0.134 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 63.112 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 2.893 125.741 122.820 0.045 0.000 2.520 67 A HA 0.009 4.329 4.320 -0.000 0.000 0.235 67 A C 0.385 177.948 177.584 -0.035 0.000 1.065 67 A CA 0.137 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 0.870 119.468 118.700 -0.171 0.000 2.904 68 N HA 0.423 5.162 4.740 -0.000 0.000 0.257 68 N C -1.577 173.670 175.510 -0.438 0.000 1.363 68 N CA -0.257 52.472 53.050 -0.534 0.000 0.856 68 N CB 1.331 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 1.398 121.319 119.914 0.011 0.000 2.531 69 V HA 0.208 4.327 4.120 -0.000 0.000 0.301 69 V C -0.241 176.011 176.094 0.264 0.000 1.034 69 V CA -0.974 61.393 62.300 0.111 0.000 0.865 69 V CB 1.780 33.527 31.823 -0.126 0.000 0.995 69 V HN 0.472 nan 8.190 nan 0.000 0.424 70 D N 2.785 123.369 120.400 0.307 0.000 2.411 70 D HA 0.175 4.815 4.640 -0.000 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 -0.997 119.230 120.200 0.044 0.000 2.339 71 E HA -0.200 4.150 4.350 -0.000 0.000 0.201 71 E C 0.265 176.654 176.600 -0.350 0.000 1.015 71 E CA 1.276 57.600 56.400 -0.127 0.000 0.841 71 E CB -0.575 28.969 29.700 -0.260 0.000 0.754 71 E HN 0.491 nan 8.360 nan 0.000 0.508 72 Y N -0.872 119.377 120.300 -0.084 0.000 2.658 72 Y HA 0.344 4.894 4.550 -0.000 0.000 0.276 72 Y C 1.576 177.508 175.900 0.053 0.000 1.167 72 Y CA 0.016 58.016 58.100 -0.168 0.000 1.230 72 Y CB 0.625 38.941 38.460 -0.240 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 0.252 0.000 2.196 73 G HA2 -0.353 3.607 3.960 -0.000 0.000 0.268 73 G HA3 -0.353 3.607 3.960 -0.000 0.000 0.268 73 G C 0.493 175.535 174.900 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 0.028 120.689 120.500 0.268 0.000 2.442 74 R HA 0.450 4.789 4.340 -0.000 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 4.474 124.597 119.914 0.349 0.000 2.472 75 V HA 0.523 4.643 4.120 -0.000 0.000 0.290 75 V C -0.823 175.439 176.094 0.278 0.000 1.037 75 V CA -0.331 62.093 62.300 0.206 0.000 0.908 75 V CB 0.721 32.587 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 5.513 4.550 -0.000 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 38.696 38.460 0.129 0.000 1.413 76 Y HN 1.324 nan 8.280 nan 0.000 0.576 77 G N 1.502 110.391 108.800 0.147 0.000 2.660 77 G HA2 -0.491 3.469 3.960 -0.000 0.000 0.321 77 G HA3 -0.491 3.469 3.960 -0.000 0.000 0.321 77 G C 0.779 175.690 174.900 0.017 0.000 1.246 77 G CA 1.143 46.277 45.100 0.057 0.000 1.000 77 G HN 1.394 nan 8.290 nan 0.000 0.550 78 N N 2.020 120.717 118.700 -0.005 0.000 2.520 78 N HA 0.213 4.953 4.740 -0.000 0.000 0.185 78 N C 1.792 177.324 175.510 0.037 0.000 1.068 78 N CA 1.222 54.312 53.050 0.067 0.000 0.911 78 N CB -0.091 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 0.101 108.893 108.800 -0.013 0.000 2.179 79 G HA2 -0.276 3.683 3.960 -0.000 0.000 0.260 79 G HA3 -0.276 3.683 3.960 -0.000 0.000 0.260 79 G C -0.029 174.874 174.900 0.004 0.000 0.977 79 G CA 0.210 45.315 45.100 0.009 0.000 0.641 79 G HN 0.249 nan 8.290 nan 0.000 0.533 80 V N 1.939 121.850 119.914 -0.005 0.000 2.427 80 V HA 0.394 4.514 4.120 -0.000 0.000 0.268 80 V C 1.561 177.615 176.094 -0.067 0.000 1.046 80 V CA 0.581 62.868 62.300 -0.022 0.000 0.970 80 V CB 1.157 33.019 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 4.686 4.340 -0.000 0.000 0.227 81 R C 0.494 176.774 176.300 -0.034 0.000 0.905 81 R CA 0.138 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 0.062 114.531 114.554 -0.142 0.000 2.663 82 T HA 0.131 4.481 4.350 -0.000 0.000 0.305 82 T C -1.520 172.969 174.700 -0.350 0.000 1.660 82 T CA -0.715 61.294 62.100 -0.153 0.000 0.976 82 T CB 0.811 69.619 68.868 -0.100 0.000 1.705 82 T HN 0.405 nan 8.240 nan 0.000 0.494 83 N N 0.191 118.726 118.700 -0.274 0.000 2.255 83 N HA 0.288 5.028 4.740 -0.000 0.000 0.253 83 N C 0.045 175.189 175.510 -0.610 0.000 1.313 83 N CA 0.082 52.890 53.050 -0.404 0.000 0.912 83 N CB -0.104 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 -2.510 117.181 119.950 -0.432 0.000 2.654 84 F HA 0.402 4.929 4.527 -0.000 0.000 0.303 84 F C 0.517 176.215 175.800 -0.169 0.000 1.099 84 F CA -0.521 57.340 58.000 -0.233 0.000 1.270 84 F CB -0.274 38.633 39.000 -0.155 0.000 1.024 84 F HN 0.322 nan 8.300 nan 0.000 0.548 85 F N -0.146 119.892 119.950 0.146 0.000 2.771 85 F HA 0.021 4.548 4.527 -0.000 0.000 0.299 85 F C 2.279 178.048 175.800 -0.052 0.000 1.177 85 F CA 0.279 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 1.064 109.961 108.800 0.160 0.000 2.471 86 G HA2 -0.227 3.732 3.960 -0.000 0.000 0.219 86 G HA3 -0.227 3.732 3.960 -0.000 0.000 0.219 86 G C 1.630 176.665 174.900 0.225 0.000 1.125 86 G CA 0.652 45.860 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 4.716 4.480 -0.000 0.000 0.262 87 M C 1.391 177.699 176.300 0.014 0.000 1.090 87 M CA 0.550 55.940 55.300 0.151 0.000 1.110 87 M CB -0.053 32.635 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 4.442 4.340 -0.000 0.000 0.208 88 R C -0.637 175.281 176.300 -0.637 0.000 2.100 88 R CA 0.212 55.799 56.100 -0.856 0.000 1.727 88 R CB -0.933 28.677 30.300 -1.150 0.000 1.186 88 R HN 0.512 nan 8.270 nan 0.000 0.645 89 H N 0.623 119.726 119.070 0.055 0.000 2.524 89 H HA 0.234 4.790 4.556 -0.000 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 0.046 4.526 4.480 -0.000 0.000 0.266 90 M C -0.158 176.410 176.300 0.447 0.000 1.456 90 M CA -0.398 55.157 55.300 0.425 0.000 1.593 90 M CB -1.148 31.650 32.600 0.330 0.000 1.129 90 M HN 0.313 nan 8.290 nan 0.000 0.547 91 N N 2.253 121.166 118.700 0.354 0.000 2.301 91 N HA 0.072 4.812 4.740 -0.000 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 0.468 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 -0.203 3.756 3.960 -0.000 0.000 0.201 92 G HA3 -0.203 3.756 3.960 -0.000 0.000 0.201 92 G C -0.414 174.166 174.900 -0.533 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 5.072 4.527 -0.001 0.000 0.355 93 F C -1.650 174.211 175.800 0.102 0.000 1.123 93 F CA -2.271 55.769 58.000 0.065 0.000 1.021 93 F CB 2.290 41.348 39.000 0.096 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 -0.575 176.854 177.300 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 32.953 31.700 0.162 0.000 1.066 95 M N 0.253 119.933 119.600 0.133 0.000 2.241 95 M HA 0.441 4.921 4.480 -0.000 0.000 0.335 95 M C -0.522 175.823 176.300 0.074 0.000 1.122 95 M CA 0.204 55.571 55.300 0.111 0.000 1.164 95 M CB 0.080 32.717 32.600 0.062 0.000 1.459 95 M HN 0.041 nan 8.290 nan 0.000 0.461 96 I N 2.632 123.238 120.570 0.059 0.000 2.465 96 I HA 0.583 4.753 4.170 -0.000 0.000 0.291 96 I C -2.344 173.799 176.117 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 39.471 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 -0.781 176.448 177.300 -0.118 0.000 1.310 97 P CA -0.412 62.658 63.100 -0.051 0.000 0.796 97 P CB 1.796 33.519 31.700 0.037 0.000 1.297 98 A N -0.432 122.241 122.820 -0.245 0.000 2.240 98 A HA 0.532 4.852 4.320 -0.000 0.000 0.292 98 A C 0.315 177.756 177.584 -0.237 0.000 1.121 98 A CA -0.221 51.602 52.037 -0.357 0.000 0.851 98 A CB -0.503 17.960 19.000 -0.895 0.000 1.167 98 A HN 0.505 nan 8.150 nan 0.000 0.503 99 T N -0.877 113.586 114.554 -0.151 0.000 2.922 99 T HA 0.418 4.767 4.350 -0.000 0.000 0.285 99 T C -0.969 173.773 174.700 0.070 0.000 1.005 99 T CA -0.105 61.976 62.100 -0.032 0.000 1.061 99 T CB 0.054 68.892 68.868 -0.049 0.000 1.007 99 T HN 0.376 nan 8.240 nan 0.000 0.502 100 W N 5.314 126.619 121.300 0.009 0.000 2.315 100 W HA 0.387 5.047 4.660 -0.000 0.000 0.316 100 W C -1.831 174.702 176.519 0.024 0.000 1.211 100 W CA -1.910 55.477 57.345 0.070 0.000 1.201 100 W CB 0.645 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 -0.768 176.599 177.300 0.112 0.000 1.230 101 P CA -0.367 62.786 63.100 0.087 0.000 0.776 101 P CB 1.284 32.988 31.700 0.006 0.000 0.888 102 L N 3.407 124.663 121.223 0.056 0.000 2.462 102 L HA 0.172 4.512 4.340 -0.000 0.000 0.272 102 L C 1.651 178.536 176.870 0.024 0.000 1.166 102 L CA 0.348 55.220 54.840 0.054 0.000 0.880 102 L CB 0.312 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 2.997 125.827 122.820 0.018 0.000 2.014 103 A HA 0.052 4.372 4.320 -0.000 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 18.855 19.000 -0.012 0.000 0.808 103 A HN 0.615 nan 8.150 nan 0.000 0.449 104 S N -0.591 115.102 115.700 -0.012 0.000 2.614 104 S HA 0.392 4.861 4.470 -0.000 0.000 0.275 104 S C -0.233 174.359 174.600 -0.012 0.000 1.161 104 S CA -0.357 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 5.425 124.120 118.700 -0.009 0.000 2.235 105 N HA 0.128 4.868 4.740 -0.000 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 4.197 4.340 -0.000 0.000 0.211 106 L C 2.607 179.512 176.870 0.058 0.000 1.071 106 L CA 1.644 56.519 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 0.241 nan 8.230 nan 0.000 0.431 107 K N 0.699 121.115 120.400 0.026 0.000 2.097 107 K HA -0.224 4.095 4.320 -0.000 0.000 0.205 107 K C 2.254 178.883 176.600 0.049 0.000 1.050 107 K CA 1.340 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 0.097 nan 8.250 nan 0.000 0.442 108 K N 0.755 121.179 120.400 0.040 0.000 2.032 108 K HA -0.192 4.128 4.320 -0.000 0.000 0.209 108 K C 2.172 178.887 176.600 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 -0.206 120.429 120.500 0.225 0.000 2.075 109 R HA -0.087 4.252 4.340 -0.000 0.000 0.232 109 R C 2.417 178.857 176.300 0.233 0.000 1.126 109 R CA 1.266 57.581 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 1.390 124.303 122.820 0.155 0.000 1.877 110 A HA -0.176 4.144 4.320 -0.000 0.000 0.216 110 A C 1.459 179.102 177.584 0.097 0.000 1.186 110 A CA 1.805 53.906 52.037 0.106 0.000 0.620 110 A CB -0.412 18.631 19.000 0.072 0.000 0.822 110 A HN 0.183 nan 8.150 nan 0.000 0.443 111 D N -0.005 120.456 120.400 0.103 0.000 2.309 111 D HA 0.043 4.683 4.640 -0.000 0.000 0.212 111 D C 1.606 177.974 176.300 0.113 0.000 0.968 111 D CA 1.184 55.240 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 -0.078 122.837 122.820 0.158 0.000 2.308 112 A HA 0.027 4.347 4.320 -0.000 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 0.168 19.303 19.000 0.225 0.000 0.902 112 A HN -0.004 nan 8.150 nan 0.000 0.499 113 D N -0.502 119.941 120.400 0.072 0.000 2.705 113 D HA -0.126 4.514 4.640 -0.000 0.000 0.240 113 D C -0.771 175.547 176.300 0.030 0.000 1.137 113 D CA 0.823 54.848 54.000 0.043 0.000 0.677 113 D CB -1.004 39.812 40.800 0.026 0.000 1.049 113 D HN 0.442 nan 8.370 nan 0.000 0.427 114 L N 0.054 121.315 121.223 0.063 0.000 2.346 114 L HA 0.695 5.035 4.340 -0.000 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 0.748 123.651 122.820 0.140 0.000 2.466 115 A HA 0.193 4.513 4.320 -0.000 0.000 0.238 115 A C 0.292 177.979 177.584 0.172 0.000 1.074 115 A CA -0.033 52.072 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 -0.108 120.258 120.400 -0.057 0.000 2.388 116 D HA 0.427 5.067 4.640 -0.000 0.000 0.221 116 D C 0.326 176.097 176.300 -0.881 0.000 1.133 116 D CA 0.550 54.459 54.000 -0.152 0.000 0.831 116 D CB -0.061 40.723 40.800 -0.027 0.000 0.962 116 D HN 0.862 nan 8.370 nan 0.000 0.502 117 G N -0.534 107.481 108.800 -1.308 0.000 2.356 117 G HA2 0.407 4.366 3.960 -0.000 0.000 0.294 117 G HA3 0.407 4.366 3.960 -0.000 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 -1.636 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 1.071 178.361 177.300 -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 2.662 122.685 119.914 0.181 0.000 2.788 119 V HA -0.010 4.110 4.120 -0.000 0.000 0.251 119 V C 0.564 176.658 176.094 -0.000 0.000 1.068 119 V CA 2.023 64.336 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 4.950 4.470 -0.000 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 1.392 121.582 120.200 -0.016 0.000 2.209 121 E HA -0.164 4.185 4.350 -0.000 0.000 0.196 121 E C 1.923 178.511 176.600 -0.019 0.000 0.993 121 E CA 1.593 57.984 56.400 -0.016 0.000 0.819 121 E CB -0.161 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 4.178 4.340 -0.000 0.000 0.233 122 R C 1.410 177.673 176.300 -0.062 0.000 1.137 122 R CA 1.995 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 4.440 4.640 -0.000 0.000 0.193 123 D C 1.577 177.891 176.300 0.022 0.000 0.998 123 D CA 1.495 55.459 54.000 -0.060 0.000 0.836 123 D CB -0.674 40.198 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 0.104 0.000 2.149 124 N HA -0.127 4.613 4.740 -0.000 0.000 0.188 124 N C 1.676 177.249 175.510 0.105 0.000 1.019 124 N CA 0.898 54.036 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 0.177 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 4.285 4.340 -0.000 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 41.578 42.059 -0.021 0.000 0.906 125 L HN 0.213 nan 8.230 nan 0.000 0.436 126 L N -0.929 120.245 121.223 -0.083 0.000 1.989 126 L HA -0.261 4.079 4.340 -0.000 0.000 0.211 126 L C 2.606 179.414 176.870 -0.105 0.000 1.071 126 L CA 1.725 56.469 54.840 -0.160 0.000 0.749 126 L CB -0.623 41.264 42.059 -0.286 0.000 0.890 126 L HN 0.126 nan 8.230 nan 0.000 0.431 127 F N -0.114 119.843 119.950 0.011 0.000 2.069 127 F HA -0.257 4.270 4.527 -0.000 0.000 0.298 127 F C 2.838 178.658 175.800 0.035 0.000 1.113 127 F CA 1.195 59.216 58.000 0.036 0.000 1.214 127 F CB -0.289 38.736 39.000 0.043 0.000 0.978 127 F HN -0.081 nan 8.300 nan 0.000 0.474 128 R N 0.043 120.676 120.500 0.223 0.000 2.127 128 R HA -0.162 4.178 4.340 -0.000 0.000 0.238 128 R C 2.355 178.702 176.300 0.079 0.000 1.134 128 R CA 1.113 57.284 56.100 0.118 0.000 0.975 128 R CB -0.616 29.731 30.300 0.079 0.000 0.865 128 R HN 0.304 nan 8.270 nan 0.000 0.447 129 A N 0.969 123.816 122.820 0.044 0.000 1.898 129 A HA -0.066 4.253 4.320 -0.000 0.000 0.216 129 A C 2.357 179.950 177.584 0.016 0.000 1.181 129 A CA 1.442 53.479 52.037 0.000 0.000 0.620 129 A CB -0.647 18.312 19.000 -0.069 0.000 0.819 129 A HN 0.381 nan 8.150 nan 0.000 0.442 130 A N -0.298 122.547 122.820 0.043 0.000 1.917 130 A HA -0.106 4.214 4.320 -0.000 0.000 0.219 130 A C 2.237 180.029 177.584 0.346 0.000 1.182 130 A CA 2.106 54.279 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 -0.017 120.037 119.914 0.232 0.000 2.295 131 V HA -0.286 3.834 4.120 -0.000 0.000 0.246 131 V C 2.646 178.872 176.094 0.220 0.000 1.049 131 V CA 2.251 64.657 62.300 0.176 0.000 1.024 131 V CB -0.875 30.925 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 4.225 4.340 -0.000 0.000 0.236 132 R C 2.349 178.781 176.300 0.220 0.000 1.137 132 R CA 1.549 57.740 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 0.241 121.605 121.223 0.235 0.000 2.046 133 L HA -0.195 4.145 4.340 -0.000 0.000 0.208 133 L C 2.631 179.751 176.870 0.416 0.000 1.077 133 L CA 1.448 56.488 54.840 0.333 0.000 0.747 133 L CB -0.336 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 -1.481 118.376 119.600 0.427 0.000 2.200 134 M HA -0.133 4.347 4.480 -0.000 0.000 0.265 134 M C 1.178 177.513 176.300 0.058 0.000 1.066 134 M CA 1.689 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 -0.305 119.686 119.950 0.067 0.000 2.639 135 F HA 0.136 4.663 4.527 -0.000 0.000 0.300 135 F C 2.024 177.902 175.800 0.131 0.000 1.109 135 F CA -0.195 57.833 58.000 0.047 0.000 1.335 135 F CB -0.605 38.321 39.000 -0.123 0.000 1.014 135 F HN 0.099 nan 8.300 nan 0.000 0.537 136 S N -1.335 114.502 115.700 0.228 0.000 2.324 136 S HA 0.010 4.480 4.470 -0.000 0.000 0.210 136 S C 0.708 175.358 174.600 0.082 0.000 1.027 136 S CA 0.527 58.830 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 2.277 122.709 120.400 0.054 0.000 2.772 137 D HA 0.388 5.028 4.640 -0.000 0.000 0.273 137 D C -0.741 175.547 176.300 -0.020 0.000 1.233 137 D CA -0.042 53.964 54.000 0.009 0.000 0.984 137 D CB 0.321 41.129 40.800 0.012 0.000 1.000 137 D HN 0.347 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 4.508 4.340 -0.000 0.000 0.271 138 L C 0.940 177.771 176.870 -0.064 0.000 1.148 138 L CA -0.062 54.739 54.840 -0.065 0.000 0.825 138 L CB 0.847 42.853 42.059 -0.088 0.000 1.117 138 L HN -0.088 nan 8.230 nan 0.000 0.456 139 E N 3.417 123.583 120.200 -0.058 0.000 2.113 139 E HA 0.326 4.676 4.350 -0.000 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 0.087 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 4.909 4.120 -0.000 0.000 0.310 141 V C -2.676 173.442 176.094 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 33.671 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 -0.560 176.785 177.300 0.074 0.000 1.249 142 P CA -0.384 62.748 63.100 0.054 0.000 0.806 142 P CB 1.477 33.202 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 4.412 4.340 -0.000 0.000 0.281 143 L C 0.627 177.578 176.870 0.135 0.000 1.131 143 L CA -0.185 54.719 54.840 0.106 0.000 0.905 143 L CB -0.073 42.039 42.059 0.088 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 4.778 4.320 -0.000 0.000 0.276 144 K C -0.438 176.268 176.600 0.176 0.000 1.023 144 K CA -0.250 56.138 56.287 0.169 0.000 0.955 144 K CB 1.790 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 1.957 122.623 120.570 0.160 0.000 2.498 145 I HA 0.247 4.417 4.170 -0.000 0.000 0.290 145 I C 0.126 176.271 176.117 0.046 0.000 1.032 145 I CA -1.265 60.102 61.300 0.113 0.000 1.073 145 I CB 1.967 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 5.670 126.170 120.500 0.001 0.000 2.401 146 R HA 0.145 4.485 4.340 -0.000 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 4.492 4.320 -0.000 0.000 0.278 147 K C 0.772 177.331 176.600 -0.068 0.000 1.009 147 K CA 0.971 57.233 56.287 -0.041 0.000 0.995 147 K CB 0.540 33.035 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 -0.312 3.648 3.960 -0.000 0.000 0.257 148 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.257 148 G C 0.125 174.968 174.900 -0.094 0.000 0.983 148 G CA 0.575 45.627 45.100 -0.081 0.000 0.676 148 G HN 0.690 nan 8.290 nan 0.000 0.528 149 S N -0.789 114.841 115.700 -0.117 0.000 2.617 149 S HA 0.715 5.185 4.470 -0.000 0.000 0.269 149 S C 0.364 174.877 174.600 -0.145 0.000 1.292 149 S CA 0.454 58.581 58.200 -0.123 0.000 1.010 149 S CB 2.041 65.153 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 4.839 4.470 -0.000 0.000 0.278 150 S C 1.342 175.819 174.600 -0.205 0.000 1.242 150 S CA -0.156 57.977 58.200 -0.110 0.000 1.051 150 S CB 0.614 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 1.610 116.025 114.554 -0.231 0.000 3.160 151 T HA 0.104 4.454 4.350 -0.000 0.000 0.257 151 T C 1.269 175.786 174.700 -0.305 0.000 1.147 151 T CA 0.438 62.407 62.100 -0.218 0.000 1.064 151 T CB -1.490 67.338 68.868 -0.067 0.000 0.949 151 T HN 0.790 nan 8.240 nan 0.000 0.526 152 C N 0.301 119.250 119.300 -0.585 0.000 0.168 152 C HA -0.244 4.216 4.460 -0.000 0.000 0.017 152 C C 1.132 175.204 174.990 -1.530 0.000 0.171 152 C CA -0.811 57.457 59.018 -1.251 0.000 0.499 152 C CB -1.644 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 4.212 4.170 -0.000 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 38.230 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 0.895 178.040 177.300 -0.259 0.000 1.211 154 P CA 0.804 63.668 63.100 -0.393 0.000 0.824 154 P CB 0.306 31.718 31.700 -0.479 0.000 1.077 155 Y N -0.827 119.450 120.300 -0.038 0.000 2.314 155 Y HA 0.220 4.770 4.550 -0.000 0.000 0.294 155 Y C 0.934 176.935 175.900 0.168 0.000 1.119 155 Y CA -0.227 57.909 58.100 0.061 0.000 1.179 155 Y CB -1.262 37.195 38.460 -0.004 0.000 1.025 155 Y HN -0.273 nan 8.280 nan 0.000 0.541 156 F N 0.273 120.272 119.950 0.081 0.000 3.039 156 F HA -0.245 4.282 4.527 -0.000 0.000 0.287 156 F C 0.671 176.480 175.800 0.015 0.000 0.956 156 F CA 0.453 58.453 58.000 0.001 0.000 0.971 156 F CB -1.685 37.292 39.000 -0.037 0.000 0.943 156 F HN 0.001 nan 8.300 nan 0.000 0.766 157 S N -0.278 115.475 115.700 0.089 0.000 2.654 157 S HA 0.647 5.117 4.470 -0.000 0.000 0.283 157 S C 0.872 175.454 174.600 -0.030 0.000 1.180 157 S CA -0.071 58.151 58.200 0.037 0.000 1.021 157 S CB 1.275 64.483 63.200 0.014 0.000 1.018 157 S HN 0.326 nan 8.310 nan 0.000 0.532 158 N N 0.935 119.612 118.700 -0.038 0.000 2.193 158 N HA 0.167 4.907 4.740 -0.000 0.000 0.210 158 N C -1.184 174.281 175.510 -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 0.822 121.182 120.400 -0.066 0.000 2.363 159 D HA -0.019 4.621 4.640 -0.000 0.000 0.263 159 D C 1.277 177.520 176.300 -0.094 0.000 1.258 159 D CA -0.111 53.847 54.000 -0.071 0.000 0.907 159 D CB 0.603 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 4.157 123.692 119.600 -0.109 0.000 2.144 160 M HA -0.035 4.445 4.480 -0.000 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 -0.759 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 -1.489 107.234 108.800 -0.127 0.000 2.459 161 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.217 161 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.217 161 G C 1.452 176.307 174.900 -0.076 0.000 1.183 161 G CA 1.526 46.563 45.100 -0.104 0.000 0.776 161 G HN 0.502 nan 8.290 nan 0.000 0.552 162 T N 0.955 115.465 114.554 -0.073 0.000 2.708 162 T HA -0.060 4.290 4.350 -0.000 0.000 0.266 162 T C 2.367 177.054 174.700 -0.021 0.000 1.037 162 T CA 1.429 63.492 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 0.918 121.296 120.400 -0.037 0.000 2.032 163 K HA -0.053 4.267 4.320 -0.000 0.000 0.209 163 K C 2.250 178.934 176.600 0.140 0.000 1.048 163 K CA 1.116 57.409 56.287 0.010 0.000 0.927 163 K CB -0.416 31.982 32.500 -0.170 0.000 0.712 163 K HN 0.324 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 3.937 4.170 -0.000 0.000 0.242 164 I C 2.158 178.310 176.117 0.058 0.000 1.088 164 I CA 1.584 62.921 61.300 0.061 0.000 1.357 164 I CB -1.080 36.917 38.000 -0.006 0.000 1.051 164 I HN 0.273 nan 8.210 nan 0.000 0.409 165 E N 1.091 121.307 120.200 0.026 0.000 2.058 165 E HA -0.203 4.147 4.350 -0.000 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 3.827 4.170 -0.000 0.000 0.243 166 I C 2.538 178.677 176.117 0.037 0.000 1.080 166 I CA 1.204 62.569 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 0.368 123.228 122.820 0.066 0.000 1.845 167 A HA -0.233 4.087 4.320 -0.000 0.000 0.215 167 A C 2.174 179.700 177.584 -0.098 0.000 1.195 167 A CA 1.733 53.716 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 4.045 4.350 -0.000 0.000 0.199 168 E C 2.265 178.838 176.600 -0.046 0.000 1.008 168 E CA 1.598 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 1.203 121.685 120.500 -0.030 0.000 2.080 169 R HA -0.145 4.195 4.340 -0.000 0.000 0.236 169 R C 2.124 178.396 176.300 -0.048 0.000 1.137 169 R CA 1.896 57.985 56.100 -0.018 0.000 0.943 169 R CB -0.867 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 0.806 123.572 122.820 -0.090 0.000 1.865 170 A HA -0.144 4.176 4.320 -0.000 0.000 0.217 170 A C 2.321 179.799 177.584 -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 -1.064 119.999 121.223 -0.268 0.000 2.127 171 L HA -0.229 4.111 4.340 -0.000 0.000 0.211 171 L C 2.547 179.406 176.870 -0.019 0.000 1.089 171 L CA 1.871 56.484 54.840 -0.378 0.000 0.757 171 L CB -0.728 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 -0.168 120.012 120.200 -0.032 0.000 2.107 172 E HA -0.120 4.230 4.350 -0.000 0.000 0.191 172 E C 1.625 178.184 176.600 -0.069 0.000 0.982 172 E CA 0.719 57.114 56.400 -0.008 0.000 0.809 172 E CB 0.295 29.990 29.700 -0.009 0.000 0.756 172 E HN 0.218 nan 8.360 nan 0.000 0.459 173 K N -0.234 120.096 120.400 -0.118 0.000 2.358 173 K HA 0.249 4.568 4.320 -0.000 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 -0.335 0.000 0.855 173 K HN 0.020 nan 8.250 nan 0.000 0.531 174 A N 1.943 124.669 122.820 -0.158 0.000 1.873 174 A HA -0.270 4.050 4.320 -0.000 0.000 0.218 174 A C 2.227 179.715 177.584 -0.159 0.000 1.193 174 A CA 2.134 54.171 52.037 0.000 0.000 0.629 174 A CB -0.430 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 -0.399 119.403 120.200 -0.665 0.000 2.049 175 E HA -0.288 4.061 4.350 -0.000 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 -1.480 0.000 0.809 175 E CB -0.275 28.402 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 4.132 4.350 -0.000 0.000 0.194 176 E C 1.816 178.273 176.600 -0.238 0.000 0.988 176 E CA 0.904 57.116 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 0.662 123.301 122.820 -0.303 0.000 1.854 177 A HA -0.018 4.301 4.320 -0.000 0.000 0.214 177 A C 2.442 180.014 177.584 -0.021 0.000 1.192 177 A CA 1.431 53.380 52.037 -0.147 0.000 0.611 177 A CB -1.166 17.743 19.000 -0.152 0.000 0.832 177 A HN 0.426 nan 8.150 nan 0.000 0.442 178 G N 0.201 109.039 108.800 0.063 0.000 2.440 178 G HA2 -0.308 3.651 3.960 -0.000 0.000 0.218 178 G HA3 -0.308 3.651 3.960 -0.000 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 0.187 0.000 0.767 178 G HN 0.517 nan 8.290 nan 0.000 0.552 179 N N 0.424 119.181 118.700 0.094 0.000 2.166 179 N HA -0.018 4.722 4.740 -0.000 0.000 0.186 179 N C 2.272 177.771 175.510 -0.019 0.000 1.019 179 N CA 0.569 53.653 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 0.452 121.646 121.223 -0.047 0.000 2.127 180 L HA -0.104 4.236 4.340 -0.000 0.000 0.211 180 L C 2.348 179.093 176.870 -0.208 0.000 1.089 180 L CA 0.923 55.713 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 -1.106 118.347 119.600 -0.245 0.000 2.193 181 M HA -0.172 4.308 4.480 -0.000 0.000 0.265 181 M C 2.236 178.301 176.300 -0.392 0.000 1.071 181 M CA 1.456 56.424 55.300 -0.554 0.000 1.140 181 M CB -0.114 32.317 32.600 -0.282 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 2.079 182 L HA -0.257 4.083 4.340 -0.000 0.000 0.210 182 L C 2.052 178.890 176.870 -0.054 0.000 1.081 182 L CA 1.400 56.224 54.840 -0.027 0.000 0.752 182 L CB -0.597 41.490 42.059 0.048 0.000 0.896 182 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 0.057 4.397 4.340 -0.000 0.000 0.209 183 Q C 1.364 177.307 176.000 -0.095 0.000 0.961 183 Q CA 0.535 56.300 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 3.656 3.960 -0.000 0.000 0.254 184 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.254 184 G C 0.038 174.816 174.900 -0.204 0.000 0.981 184 G CA 0.069 45.057 45.100 -0.185 0.000 0.670 184 G HN 0.278 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 4.794 4.320 -0.000 0.000 0.236 185 K C 0.953 177.449 176.600 -0.173 0.000 1.185 185 K CA -0.713 55.488 56.287 -0.142 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 0.600 120.577 119.950 0.045 0.000 2.186 186 F HA -0.193 4.334 4.527 -0.000 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 0.316 120.851 120.400 0.224 0.000 2.097 187 D HA -0.164 4.475 4.640 -0.000 0.000 0.195 187 D C 1.848 178.232 176.300 0.141 0.000 0.989 187 D CA 1.421 55.524 54.000 0.171 0.000 0.827 187 D CB -0.503 40.365 40.800 0.114 0.000 0.966 187 D HN 0.167 nan 8.370 nan 0.000 0.456 188 D N 0.206 120.656 120.400 0.083 0.000 2.104 188 D HA -0.111 4.529 4.640 -0.000 0.000 0.194 188 D C 1.999 178.334 176.300 0.058 0.000 0.994 188 D CA 1.484 55.510 54.000 0.042 0.000 0.830 188 D CB -0.392 40.418 40.800 0.016 0.000 0.959 188 D HN 0.144 nan 8.370 nan 0.000 0.452 189 A N -0.113 122.762 122.820 0.092 0.000 1.908 189 A HA -0.231 4.089 4.320 -0.000 0.000 0.218 189 A C 2.212 179.896 177.584 0.167 0.000 1.181 189 A CA 1.438 53.565 52.037 0.149 0.000 0.627 189 A CB -0.997 18.067 19.000 0.107 0.000 0.818 189 A HN 0.356 nan 8.150 nan 0.000 0.445 190 Y N 0.505 120.830 120.300 0.042 0.000 2.133 190 Y HA -0.220 4.330 4.550 -0.000 0.000 0.287 190 Y C 2.510 178.383 175.900 -0.044 0.000 1.134 190 Y CA 2.209 60.306 58.100 -0.005 0.000 1.133 190 Y CB -0.744 37.704 38.460 -0.020 0.000 0.987 190 Y HN 0.442 nan 8.280 nan 0.000 0.502 191 Q N -0.262 119.444 119.800 -0.156 0.000 2.135 191 Q HA -0.195 4.145 4.340 -0.000 0.000 0.204 191 Q C 2.303 178.132 176.000 -0.285 0.000 0.981 191 Q CA 1.934 57.580 55.803 -0.262 0.000 0.856 191 Q CB -0.201 28.488 28.738 -0.083 0.000 0.902 191 Q HN 0.504 nan 8.270 nan 0.000 0.425 192 L N -0.790 120.269 121.223 -0.272 0.000 2.209 192 L HA -0.072 4.268 4.340 -0.000 0.000 0.207 192 L C 1.219 177.652 176.870 -0.728 0.000 1.094 192 L CA 0.905 55.436 54.840 -0.515 0.000 0.790 192 L CB -0.023 41.646 42.059 -0.650 0.000 0.932 192 L HN 0.408 nan 8.230 nan 0.000 0.447 193 H N -1.267 117.735 119.070 -0.114 0.000 3.052 193 H HA 0.181 4.737 4.556 -0.000 0.000 0.257 193 H C -0.033 175.220 175.328 -0.125 0.000 1.193 193 H CA -0.142 55.850 56.048 -0.094 0.000 1.072 193 H CB 0.841 30.567 29.762 -0.060 0.000 1.685 193 H HN 0.082 nan 8.280 nan 0.000 0.630 194 Q N 0.287 119.979 119.800 -0.180 0.000 2.480 194 Q HA -0.182 4.157 4.340 -0.000 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 -0.252 0.000 1.433 194 Q HN 0.527 nan 8.270 nan 0.000 0.513 195 M N -0.098 119.561 119.600 0.099 0.000 2.208 195 M HA 0.545 5.025 4.480 -0.000 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 0.973 33.612 32.600 0.065 0.000 1.309 195 M HN 0.405 nan 8.290 nan 0.000 0.408 196 G N 0.491 109.377 108.800 0.142 0.000 2.439 196 G HA2 0.402 4.362 3.960 -0.000 0.000 0.186 196 G HA3 0.402 4.362 3.960 -0.000 0.000 0.186 196 G C -0.066 174.709 174.900 -0.208 0.000 1.260 196 G CA 0.078 45.198 45.100 0.033 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 4.365 3.960 -0.000 0.000 0.289 197 G HA3 0.405 4.365 3.960 -0.000 0.000 0.289 197 G C 0.835 175.491 174.900 -0.406 0.000 1.393 197 G CA 2.467 47.079 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 4.975 4.320 -0.000 0.000 0.291 198 A C -1.210 176.277 177.584 -0.162 0.000 1.039 198 A CA -0.090 51.850 52.037 -0.162 0.000 0.643 198 A CB 0.006 18.990 19.000 -0.026 0.000 1.310 198 A HN 1.546 nan 8.150 nan 0.000 0.436 199 Y N -0.459 119.852 120.300 0.018 0.000 2.307 199 Y HA 0.484 5.034 4.550 -0.000 0.000 0.324 199 Y C -0.154 175.842 175.900 0.161 0.000 1.238 199 Y CA 0.704 58.836 58.100 0.053 0.000 1.280 199 Y CB 1.084 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 2.399 122.833 120.300 0.223 0.000 2.385 200 Y HA 0.460 5.009 4.550 -0.000 0.000 0.341 200 Y C -0.710 175.283 175.900 0.154 0.000 0.965 200 Y CA -1.176 57.084 58.100 0.267 0.000 1.180 200 Y CB 0.378 39.039 38.460 0.335 0.000 1.139 200 Y HN 0.331 nan 8.280 nan 0.000 0.502 201 V N 8.020 127.715 119.914 -0.365 0.000 2.479 201 V HA 0.185 4.305 4.120 -0.000 0.000 0.281 201 V C -0.126 175.574 176.094 -0.656 0.000 1.031 201 V CA -0.070 61.932 62.300 -0.497 0.000 1.038 201 V CB 0.365 31.828 31.823 -0.599 0.000 0.981 201 V HN 0.609 nan 8.190 nan 0.000 0.478 202 V N 4.817 124.467 119.914 -0.440 0.000 2.540 202 V HA 0.612 4.732 4.120 -0.000 0.000 0.302 202 V C -1.028 174.851 176.094 -0.359 0.000 1.035 202 V CA -0.837 61.296 62.300 -0.279 0.000 0.873 202 V CB 1.502 33.345 31.823 0.034 0.000 0.992 202 V HN 0.594 nan 8.190 nan 0.000 0.428 203 Y N 4.755 125.020 120.300 -0.058 0.000 2.336 203 Y HA 0.644 5.193 4.550 -0.000 0.000 0.335 203 Y C 0.932 176.805 175.900 -0.045 0.000 1.046 203 Y CA -0.288 57.776 58.100 -0.061 0.000 1.198 203 Y CB 0.943 39.362 38.460 -0.068 0.000 1.182 203 Y HN 0.556 nan 8.280 nan 0.000 0.502 204 R N 1.726 122.283 120.500 0.095 0.000 2.664 204 R HA 0.767 5.106 4.340 -0.000 0.000 0.286 204 R C -0.592 175.679 176.300 -0.048 0.000 0.967 204 R CA -1.113 54.986 56.100 -0.002 0.000 0.933 204 R CB 1.896 32.191 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 4.500 4.320 -0.000 0.000 0.269 205 A C -0.155 177.349 177.584 -0.135 0.000 1.094 205 A CA -0.150 51.801 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 0.472 nan 8.150 nan 0.000 0.487 206 Q N 1.411 121.138 119.800 -0.122 0.000 2.965 206 Q HA 0.159 4.498 4.340 -0.000 0.000 0.288 206 Q C 1.024 176.926 176.000 -0.165 0.000 0.974 206 Q CA 0.353 56.082 55.803 -0.124 0.000 0.849 206 Q CB 0.915 29.587 28.738 -0.110 0.000 1.280 206 Q HN 1.044 nan 8.270 nan 0.000 0.441 207 S N -0.306 115.319 115.700 -0.126 0.000 2.444 207 S HA -0.121 4.349 4.470 -0.000 0.000 0.244 207 S C 0.863 175.390 174.600 -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 -1.650 112.825 114.554 -0.131 0.000 2.928 208 T HA 0.710 5.059 4.350 -0.000 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 2.219 71.132 68.868 0.076 0.000 1.005 208 T HN 0.089 nan 8.240 nan 0.000 0.442 209 D N 0.869 121.262 120.400 -0.010 0.000 2.610 209 D HA 0.664 5.304 4.640 -0.000 0.000 0.271 209 D C -0.424 175.954 176.300 0.130 0.000 1.174 209 D CA -0.510 53.496 54.000 0.010 0.000 0.949 209 D CB 2.126 42.878 40.800 -0.080 0.000 1.430 209 D HN 0.920 nan 8.370 nan 0.000 0.467 210 A N 0.777 123.628 122.820 0.051 0.000 2.498 210 A HA 0.534 4.854 4.320 -0.000 0.000 0.239 210 A C -0.156 177.437 177.584 0.016 0.000 1.068 210 A CA 0.392 52.455 52.037 0.044 0.000 0.766 210 A CB -0.111 18.896 19.000 0.011 0.000 1.003 210 A HN 0.457 nan 8.150 nan 0.000 0.497 211 I N 1.380 121.983 120.570 0.056 0.000 2.680 211 I HA 0.365 4.535 4.170 -0.000 0.000 0.291 211 I C -0.040 176.211 176.117 0.225 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 -0.045 0.000 1.277 211 I HN 0.844 nan 8.210 nan 0.000 0.423 212 T N 2.696 117.352 114.554 0.169 0.000 2.907 212 T HA 0.713 5.063 4.350 -0.000 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 0.218 0.000 1.012 212 T CB 2.326 71.263 68.868 0.115 0.000 1.184 212 T HN 0.318 nan 8.240 nan 0.000 0.522 213 L N 2.216 123.404 121.223 -0.058 0.000 2.337 213 L HA 0.426 4.766 4.340 -0.000 0.000 0.269 213 L C -0.413 176.332 176.870 -0.209 0.000 1.018 213 L CA -0.473 54.125 54.840 -0.404 0.000 0.876 213 L CB 0.544 42.205 42.059 -0.663 0.000 1.236 213 L HN 0.822 nan 8.230 nan 0.000 0.436 214 D N 7.083 127.379 120.400 -0.173 0.000 2.455 214 D HA 0.009 4.649 4.640 -0.000 0.000 0.265 214 D C -1.475 174.758 176.300 -0.112 0.000 1.284 214 D CA -1.187 52.753 54.000 -0.099 0.000 0.944 214 D CB 1.346 42.102 40.800 -0.073 0.000 1.121 214 D HN 0.438 nan 8.370 nan 0.000 0.525 215 P HA -0.200 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 64.056 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 -0.086 4.234 4.320 -0.000 0.000 0.214 216 K C 2.349 178.924 176.600 -0.043 0.000 1.046 216 K CA 2.299 58.565 56.287 -0.035 0.000 0.944 216 K CB -1.792 30.692 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 4.375 4.350 -0.000 0.000 0.268 217 T C 1.535 176.190 174.700 -0.074 0.000 1.073 217 T CA 1.432 63.502 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 3.750 3.960 -0.000 0.000 0.254 218 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.254 218 G C 0.034 174.794 174.900 -0.233 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 -0.566 119.712 120.400 -0.203 0.000 2.123 219 K HA 0.725 5.045 4.320 -0.000 0.000 0.248 219 K C -0.004 176.444 176.600 -0.252 0.000 0.969 219 K CA -0.817 55.380 56.287 -0.149 0.000 0.882 219 K CB 0.930 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 0.003 119.946 119.950 -0.012 0.000 2.378 220 F HA 0.345 4.872 4.527 -0.000 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 1.173 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 1.261 121.294 119.914 0.197 0.000 2.482 221 V HA 0.293 4.413 4.120 -0.000 0.000 0.295 221 V C -0.686 175.271 176.094 -0.229 0.000 1.026 221 V CA -1.122 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 3.281 118.640 115.700 -0.570 0.000 2.545 222 S HA 0.411 4.881 4.470 -0.000 0.000 0.275 222 S C -0.136 174.298 174.600 -0.276 0.000 1.299 222 S CA -0.650 57.104 58.200 -0.744 0.000 1.048 222 S CB 0.856 63.370 63.200 -1.142 0.000 0.938 222 S HN 0.792 nan 8.310 nan 0.000 0.496 223 K N 2.161 122.457 120.400 -0.173 0.000 2.436 223 K HA 0.001 4.321 4.320 -0.000 0.000 0.282 223 K C -0.758 175.804 176.600 -0.064 0.000 1.044 223 K CA -0.150 56.088 56.287 -0.083 0.000 1.028 223 K CB -0.045 32.425 32.500 -0.049 0.000 0.919 223 K HN 0.579 nan 8.250 nan 0.000 0.474 224 D N 3.323 123.698 120.400 -0.041 0.000 2.423 224 D HA 0.072 4.712 4.640 -0.000 0.000 0.238 224 D C -0.233 176.046 176.300 -0.034 0.000 1.142 224 D CA 0.484 54.469 54.000 -0.025 0.000 0.884 224 D CB 0.607 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 2.257 122.730 120.500 -0.045 0.000 2.435 225 R HA 0.266 4.605 4.340 -0.000 0.000 0.308 225 R C -0.351 175.880 176.300 -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 31.386 30.300 -0.066 0.000 1.171 225 R HN 0.378 nan 8.270 nan 0.000 0.470 226 M N 2.854 122.380 119.600 -0.124 0.000 2.245 226 M HA 0.201 4.681 4.480 -0.000 0.000 0.344 226 M C 0.558 176.682 176.300 -0.293 0.000 1.170 226 M CA -0.195 54.985 55.300 -0.200 0.000 1.135 226 M CB 0.546 33.058 32.600 -0.146 0.000 1.574 226 M HN 0.378 nan 8.290 nan 0.000 0.452 227 V N -0.237 119.377 119.914 -0.500 0.000 3.078 227 V HA 1.001 5.121 4.120 -0.000 0.000 0.311 227 V C -0.691 175.041 176.094 -0.603 0.000 1.138 227 V CA -1.306 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 2.161 124.762 122.820 -0.364 0.000 2.317 228 A HA 0.800 5.120 4.320 -0.000 0.000 0.327 228 A C -0.282 177.330 177.584 0.047 0.000 1.178 228 A CA -0.342 51.518 52.037 -0.295 0.000 0.817 228 A CB 0.645 19.449 19.000 -0.327 0.000 1.189 228 A HN 1.190 nan 8.150 nan 0.000 0.489 229 D N 1.005 121.500 120.400 0.159 0.000 2.411 229 D HA 0.134 4.773 4.640 -0.000 0.000 0.251 229 D C 0.833 177.068 176.300 -0.109 0.000 1.201 229 D CA -0.695 53.417 54.000 0.187 0.000 0.996 229 D CB 0.117 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 0.349 119.821 119.950 -0.796 0.000 2.091 230 F HA -0.233 4.294 4.527 -0.000 0.000 0.299 230 F C 2.027 177.576 175.800 -0.419 0.000 1.103 230 F CA 1.754 59.094 58.000 -1.100 0.000 1.228 230 F CB -0.003 38.119 39.000 -1.463 0.000 0.984 230 F HN 0.225 nan 8.300 nan 0.000 0.477 231 E N -0.152 119.926 120.200 -0.204 0.000 2.070 231 E HA -0.308 4.041 4.350 -0.000 0.000 0.197 231 E C 2.106 178.595 176.600 -0.185 0.000 1.004 231 E CA 1.924 58.194 56.400 -0.217 0.000 0.805 231 E CB -1.073 28.617 29.700 -0.017 0.000 0.744 231 E HN 0.696 nan 8.360 nan 0.000 0.451 232 Y N 0.837 121.033 120.300 -0.172 0.000 2.114 232 Y HA -0.282 4.268 4.550 -0.000 0.000 0.284 232 Y C 2.371 178.176 175.900 -0.158 0.000 1.143 232 Y CA 1.915 59.946 58.100 -0.115 0.000 1.135 232 Y CB -0.260 38.180 38.460 -0.033 0.000 0.980 232 Y HN 0.071 nan 8.280 nan 0.000 0.499 233 A N -0.190 122.711 122.820 0.135 0.000 1.927 233 A HA -0.283 4.037 4.320 -0.000 0.000 0.220 233 A C 2.170 179.694 177.584 -0.100 0.000 1.185 233 A CA 2.875 54.948 52.037 0.060 0.000 0.639 233 A CB -1.616 17.451 19.000 0.112 0.000 0.820 233 A HN 0.534 nan 8.150 nan 0.000 0.451 234 V N -2.452 117.256 119.914 -0.343 0.000 2.719 234 V HA -0.040 4.080 4.120 -0.000 0.000 0.252 234 V C 1.971 177.926 176.094 -0.232 0.000 1.065 234 V CA 1.898 63.990 62.300 -0.346 0.000 1.086 234 V CB -1.559 29.894 31.823 -0.616 0.000 0.700 234 V HN 0.707 nan 8.190 nan 0.000 0.467 235 T N -2.453 111.963 114.554 -0.229 0.000 3.244 235 T HA 0.422 4.772 4.350 -0.000 0.000 0.254 235 T C 1.542 176.130 174.700 -0.187 0.000 1.024 235 T CA 0.440 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 0.607 109.325 108.800 -0.137 0.000 2.309 236 G HA2 -0.025 3.935 3.960 -0.000 0.000 0.286 236 G HA3 -0.025 3.935 3.960 -0.000 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 -1.708 106.780 108.800 -0.520 0.000 2.307 237 G HA2 -0.251 3.708 3.960 -0.000 0.000 0.210 237 G HA3 -0.251 3.708 3.960 -0.000 0.000 0.210 237 G C 1.016 175.487 174.900 -0.714 0.000 1.005 237 G CA 0.905 45.358 45.100 -1.078 0.000 0.634 237 G HN 0.575 nan 8.290 nan 0.000 0.496 238 E N 0.745 120.716 120.200 -0.382 0.000 2.055 238 E HA -0.167 4.182 4.350 -0.000 0.000 0.209 238 E C 1.669 178.130 176.600 -0.232 0.000 1.036 238 E CA 1.816 58.073 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 -1.712 117.946 119.800 -0.236 0.000 3.067 239 Q HA 0.497 4.837 4.340 -0.000 0.000 0.200 239 Q C 0.262 176.177 176.000 -0.142 0.000 1.068 239 Q CA 0.105 55.815 55.803 -0.156 0.000 0.800 239 Q CB 1.190 29.867 28.738 -0.102 0.000 2.832 239 Q HN 0.323 nan 8.270 nan 0.000 0.405 240 G N 0.183 108.965 108.800 -0.030 0.000 2.752 240 G HA2 -0.143 3.817 3.960 -0.000 0.000 0.234 240 G HA3 -0.143 3.817 3.960 -0.000 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 5.227 4.470 -0.000 0.000 0.275 241 S C -1.151 173.676 174.600 0.379 0.000 1.130 241 S CA -0.528 57.900 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 2.243 123.623 121.223 0.262 0.000 2.356 242 L HA 0.913 5.253 4.340 -0.000 0.000 0.277 242 L C -1.468 175.502 176.870 0.166 0.000 0.996 242 L CA -0.719 54.091 54.840 -0.050 0.000 0.822 242 L CB 0.862 42.786 42.059 -0.224 0.000 1.256 242 L HN 0.874 nan 8.230 nan 0.000 0.413 243 F N 2.694 122.605 119.950 -0.065 0.000 2.711 243 F HA 0.924 5.451 4.527 -0.000 0.000 0.313 243 F C -0.484 175.300 175.800 -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 1.274 124.160 122.820 0.111 0.000 2.401 244 A HA 0.717 5.037 4.320 -0.000 0.000 0.259 244 A C 0.240 177.862 177.584 0.063 0.000 1.103 244 A CA 0.021 52.066 52.037 0.012 0.000 0.789 244 A CB -0.337 18.700 19.000 0.061 0.000 1.035 244 A HN 1.518 nan 8.150 nan 0.000 0.491 245 A N 1.964 124.748 122.820 -0.060 0.000 2.346 245 A HA 0.531 4.850 4.320 -0.000 0.000 0.252 245 A C 0.751 178.386 177.584 0.084 0.000 1.089 245 A CA 0.218 52.259 52.037 0.006 0.000 0.797 245 A CB 0.185 19.148 19.000 -0.062 0.000 1.047 245 A HN 1.245 nan 8.150 nan 0.000 0.494 246 S N -0.408 115.358 115.700 0.109 0.000 2.410 246 S HA 0.281 4.751 4.470 -0.000 0.000 0.304 246 S C 0.593 175.271 174.600 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 2.489 122.986 120.400 0.160 0.000 2.417 247 K HA 0.064 4.384 4.320 -0.000 0.000 0.196 247 K C 0.058 176.847 176.600 0.315 0.000 1.023 247 K CA -0.128 56.299 56.287 0.235 0.000 1.122 247 K CB 0.139 32.776 32.500 0.229 0.000 0.850 247 K HN 0.562 nan 8.250 nan 0.000 0.521 248 D N 1.050 121.588 120.400 0.229 0.000 2.434 248 D HA -0.028 4.611 4.640 -0.000 0.000 0.252 248 D C 0.222 176.580 176.300 0.097 0.000 1.185 248 D CA 0.066 54.164 54.000 0.163 0.000 0.886 248 D CB 1.108 41.973 40.800 0.109 0.000 1.148 248 D HN 0.185 nan 8.370 nan 0.000 0.483 249 A N 3.270 126.105 122.820 0.025 0.000 2.415 249 A HA 0.101 4.420 4.320 -0.000 0.000 0.248 249 A C 1.952 179.499 177.584 -0.062 0.000 1.299 249 A CA -0.169 51.859 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 0.925 116.597 115.700 -0.046 0.000 2.383 250 S HA -0.188 4.282 4.470 -0.000 0.000 0.227 250 S C 2.184 176.755 174.600 -0.050 0.000 1.026 250 S CA 1.346 59.514 58.200 -0.054 0.000 0.981 250 S CB -0.328 62.850 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 4.214 4.340 -0.000 0.000 0.246 251 R C 1.952 178.220 176.300 -0.052 0.000 1.146 251 R CA 1.554 57.635 56.100 -0.031 0.000 0.962 251 R CB -1.237 29.068 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 4.123 4.340 -0.000 0.000 0.213 252 L C 2.744 179.597 176.870 -0.029 0.000 1.079 252 L CA 1.879 56.689 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 0.901 121.261 120.400 -0.066 0.000 2.001 253 K HA -0.217 4.103 4.320 -0.000 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 -0.280 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 -0.129 120.024 120.200 -0.079 0.000 2.153 254 E HA -0.240 4.110 4.350 -0.000 0.000 0.194 254 E C 1.828 178.339 176.600 -0.147 0.000 0.988 254 E CA 1.376 57.721 56.400 -0.091 0.000 0.811 254 E CB 0.068 29.720 29.700 -0.079 0.000 0.746 254 E HN 0.509 nan 8.360 nan 0.000 0.466 255 Q N -1.362 118.288 119.800 -0.249 0.000 2.165 255 Q HA -0.052 4.287 4.340 -0.000 0.000 0.197 255 Q C 0.764 176.376 176.000 -0.646 0.000 0.952 255 Q CA 0.900 56.389 55.803 -0.524 0.000 0.848 255 Q CB 0.319 28.525 28.738 -0.886 0.000 0.931 255 Q HN 0.402 nan 8.270 nan 0.000 0.470 256 Y N -1.338 118.960 120.300 -0.003 0.000 2.588 256 Y HA 0.375 4.925 4.550 -0.001 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 39.498 38.460 0.052 0.000 1.245 256 Y HN 0.163 nan 8.280 nan 0.000 0.534 257 G N 1.273 110.107 108.800 0.056 0.000 2.166 257 G HA2 -0.329 3.631 3.960 -0.000 0.000 0.260 257 G HA3 -0.329 3.631 3.960 -0.000 0.000 0.260 257 G C 0.195 175.109 174.900 0.024 0.000 0.986 257 G CA 0.284 45.399 45.100 0.025 0.000 0.683 257 G HN 0.377 nan 8.290 nan 0.000 0.527 258 I N 1.200 121.794 120.570 0.040 0.000 2.533 258 I HA 0.155 4.325 4.170 -0.000 0.000 0.284 258 I C 0.554 176.635 176.117 -0.059 0.000 1.109 258 I CA -0.338 60.957 61.300 -0.009 0.000 1.412 258 I CB 0.688 38.664 38.000 -0.041 0.000 1.396 258 I HN 0.129 nan 8.210 nan 0.000 0.543 259 D N 6.718 127.076 120.400 -0.070 0.000 2.371 259 D HA 0.152 4.791 4.640 -0.000 0.000 0.256 259 D C -0.644 175.572 176.300 -0.141 0.000 1.193 259 D CA -0.078 53.864 54.000 -0.096 0.000 0.881 259 D CB 0.953 41.697 40.800 -0.093 0.000 1.143 259 D HN 0.126 nan 8.370 nan 0.000 0.473 260 V N 7.357 127.186 119.914 -0.142 0.000 2.304 260 V HA 0.314 4.434 4.120 -0.000 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 32.409 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 0.868 32.344 31.700 -0.374 0.000 0.901 262 D N 0.999 121.391 120.400 -0.013 0.000 2.493 262 D HA 0.240 4.880 4.640 -0.000 0.000 0.240 262 D C 1.278 177.605 176.300 0.045 0.000 1.142 262 D CA 1.656 55.666 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 3.752 3.960 -0.000 0.000 0.225 263 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.225 263 G C -0.268 174.174 174.900 -0.763 0.000 1.015 263 G CA -0.237 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 -0.562 118.922 119.950 -0.777 0.000 2.540 264 F HA 0.844 5.370 4.527 -0.000 0.000 0.317 264 F C 0.150 175.478 175.800 -0.785 0.000 1.104 264 F CA -1.261 56.404 58.000 -0.560 0.000 0.913 264 F CB 1.545 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 0.249 120.179 119.950 -0.034 0.000 2.654 265 F HA 0.607 5.134 4.527 -0.000 0.000 0.334 265 F C -0.101 175.835 175.800 0.227 0.000 1.078 265 F CA -1.340 56.706 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 4.747 4.460 -0.000 0.000 0.384 266 C C 0.483 175.692 174.990 0.365 0.000 1.289 266 C CA -0.682 58.557 59.018 0.368 0.000 2.372 266 C CB -0.016 27.898 27.740 0.290 0.000 2.593 266 C HN 0.677 nan 8.230 nan 0.000 0.639 267 E N 0.717 121.060 120.200 0.239 0.000 2.392 267 E HA 0.168 4.517 4.350 -0.000 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 2.422 122.863 120.500 -0.099 0.000 2.340 268 R HA 0.166 4.505 4.340 -0.000 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 4.115 124.593 120.500 -0.037 0.000 2.494 269 R HA 0.354 4.693 4.340 -0.000 0.000 0.305 269 R C -0.472 175.839 176.300 0.019 0.000 0.959 269 R CA -0.856 55.235 56.100 -0.014 0.000 0.864 269 R CB 2.013 32.301 30.300 -0.019 0.000 1.159 269 R HN 0.604 nan 8.270 nan 0.000 0.446 270 R N 0.673 121.201 120.500 0.047 0.000 2.604 270 R HA 0.263 4.603 4.340 -0.000 0.000 0.287 270 R C 0.204 176.574 176.300 0.118 0.000 0.970 270 R CA -0.588 55.543 56.100 0.053 0.000 0.946 270 R CB 1.740 32.041 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 4.997 4.350 -0.000 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 2.662 125.366 122.820 -0.193 0.000 2.549 272 A HA 0.692 5.012 4.320 -0.000 0.000 0.297 272 A C -0.682 176.828 177.584 -0.124 0.000 1.061 272 A CA -1.129 50.839 52.037 -0.115 0.000 0.690 272 A CB 1.604 20.575 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 4.958 4.480 -0.000 0.000 0.325 273 M C 0.309 176.714 176.300 0.176 0.000 1.092 273 M CA -0.348 54.957 55.300 0.008 0.000 0.961 273 M CB 1.349 33.843 32.600 -0.176 0.000 1.672 273 M HN 0.915 nan 8.290 nan 0.000 0.438 274 G N 1.547 110.515 108.800 0.279 0.000 2.428 274 G HA2 0.561 4.521 3.960 -0.000 0.000 0.320 274 G HA3 0.561 4.521 3.960 -0.000 0.000 0.320 274 G C 0.202 175.247 174.900 0.241 0.000 1.098 274 G CA -0.462 44.795 45.100 0.262 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 4.502 3.960 -0.000 0.000 0.257 275 G HA3 0.543 4.502 3.960 -0.000 0.000 0.257 275 G C -2.199 172.609 174.900 -0.155 0.000 1.214 275 G CA -1.074 43.962 45.100 -0.108 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 32.503 31.700 -0.201 0.000 0.840 277 F N 5.160 125.017 119.950 -0.154 0.000 2.154 277 F HA -0.252 4.274 4.527 -0.000 0.000 0.301 277 F C 2.277 178.041 175.800 -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 38.034 39.000 -0.072 0.000 1.009 277 F HN 0.405 nan 8.300 nan 0.000 0.485 278 A N -0.319 122.418 122.820 -0.138 0.000 1.978 278 A HA -0.189 4.131 4.320 -0.000 0.000 0.220 278 A C 2.120 179.584 177.584 -0.201 0.000 1.170 278 A CA 1.914 53.840 52.037 -0.185 0.000 0.636 278 A CB -1.039 17.923 19.000 -0.064 0.000 0.810 278 A HN 0.469 nan 8.150 nan 0.000 0.448 279 L N -0.353 120.776 121.223 -0.157 0.000 2.168 279 L HA 0.089 4.429 4.340 -0.000 0.000 0.203 279 L C 1.692 178.478 176.870 -0.139 0.000 1.078 279 L CA 2.003 56.768 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 -0.482 118.128 118.700 -0.150 0.000 2.381 280 N HA -0.104 4.636 4.740 -0.000 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 2.137 124.719 122.820 -0.396 0.000 1.835 281 A HA -0.084 4.235 4.320 -0.000 0.000 0.215 281 A C -0.254 177.221 177.584 -0.182 0.000 1.199 281 A CA 1.246 53.022 52.037 -0.434 0.000 0.615 281 A CB -1.578 17.002 19.000 -0.700 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 1.209 64.328 63.100 0.033 0.000 0.813 282 P CB -0.184 31.633 31.700 0.195 0.000 0.778 283 I N -1.066 119.678 120.570 0.289 0.000 2.233 283 I HA -0.173 3.997 4.170 -0.000 0.000 0.243 283 I C 2.770 179.137 176.117 0.418 0.000 1.093 283 I CA 1.301 62.858 61.300 0.428 0.000 1.380 283 I CB -0.626 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 0.599 120.344 119.600 0.242 0.000 2.149 284 M HA -0.215 4.264 4.480 -0.000 0.000 0.261 284 M C 2.536 178.967 176.300 0.217 0.000 1.064 284 M CA 1.947 57.371 55.300 0.206 0.000 1.102 284 M CB -0.614 32.081 32.600 0.157 0.000 1.369 284 M HN 0.320 nan 8.290 nan 0.000 0.408 285 A N -0.103 122.858 122.820 0.235 0.000 1.958 285 A HA -0.142 4.177 4.320 -0.000 0.000 0.221 285 A C 2.219 179.975 177.584 0.286 0.000 1.178 285 A CA 2.142 54.336 52.037 0.262 0.000 0.642 285 A CB -0.922 18.269 19.000 0.318 0.000 0.816 285 A HN 0.354 nan 8.150 nan 0.000 0.453 286 V N -1.024 119.107 119.914 0.362 0.000 2.599 286 V HA -0.008 4.112 4.120 -0.000 0.000 0.245 286 V C 2.926 179.088 176.094 0.113 0.000 1.046 286 V CA 1.230 63.654 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 0.596 nan 8.190 nan 0.000 0.464 287 A N 0.064 123.006 122.820 0.202 0.000 1.908 287 A HA -0.322 3.997 4.320 -0.000 0.000 0.218 287 A C 2.172 179.753 177.584 -0.005 0.000 1.181 287 A CA 2.433 54.533 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 0.008 119.828 119.800 0.033 0.000 2.079 288 Q HA -0.044 4.296 4.340 -0.000 0.000 0.200 288 Q C -0.687 175.277 176.000 -0.061 0.000 0.974 288 Q CA 2.056 57.859 55.803 0.001 0.000 0.840 288 Q CB -1.214 27.552 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 1.262 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 3.844 4.120 -0.000 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 0.264 120.545 120.500 -0.366 0.000 2.091 291 R HA -0.166 4.174 4.340 -0.000 0.000 0.238 291 R C 2.221 178.199 176.300 -0.535 0.000 1.136 291 R CA 1.709 57.445 56.100 -0.607 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 1.059 119.622 118.700 -0.228 0.000 2.104 292 N HA -0.192 4.548 4.740 -0.000 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 38.225 38.487 -0.076 0.000 1.008 292 N HN 0.267 nan 8.380 nan 0.000 0.424 293 K N 1.381 121.695 120.400 -0.142 0.000 1.985 293 K HA -0.058 4.262 4.320 -0.000 0.000 0.210 293 K C 2.195 178.761 176.600 -0.056 0.000 1.047 293 K CA 1.226 57.456 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 -1.578 118.942 120.570 -0.082 0.000 2.361 294 I HA -0.207 3.963 4.170 -0.000 0.000 0.251 294 I C 1.289 177.512 176.117 0.178 0.000 1.133 294 I CA 1.226 62.577 61.300 0.085 0.000 1.413 294 I CB -0.473 37.406 38.000 -0.201 0.000 1.073 294 I HN 0.091 nan 8.210 nan 0.000 0.424 295 Y N 2.157 122.475 120.300 0.029 0.000 2.516 295 Y HA -0.029 4.520 4.550 -0.000 0.000 0.291 295 Y C 2.921 178.757 175.900 -0.107 0.000 1.131 295 Y CA 0.293 58.401 58.100 0.013 0.000 1.281 295 Y CB -0.835 37.612 38.460 -0.021 0.000 1.013 295 Y HN 0.486 nan 8.280 nan 0.000 0.554 296 S N -0.477 115.235 115.700 0.021 0.000 2.440 296 S HA -0.033 4.437 4.470 -0.000 0.000 0.194 296 S C 2.004 176.546 174.600 -0.097 0.000 0.952 296 S CA 0.417 58.573 58.200 -0.073 0.000 0.898 296 S CB -0.481 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 4.237 4.320 -0.000 0.000 0.207 297 K C 0.323 176.603 176.600 -0.534 0.000 1.048 297 K CA 1.335 57.365 56.287 -0.428 0.000 0.930 297 K CB -0.213 31.880 32.500 -0.678 0.000 0.716 297 K HN 0.544 nan 8.250 nan 0.000 0.444 298 Y N -0.417 119.952 120.300 0.115 0.000 2.774 298 Y HA 0.355 4.905 4.550 -0.000 0.000 0.305 298 Y C 1.093 177.040 175.900 0.077 0.000 1.067 298 Y CA -0.411 57.749 58.100 0.101 0.000 1.304 298 Y CB 0.114 38.666 38.460 0.153 0.000 1.209 298 Y HN 0.075 nan 8.280 nan 0.000 0.543 299 A N -0.614 122.298 122.820 0.154 0.000 2.084 299 A HA -0.282 4.038 4.320 -0.000 0.000 0.221 299 A C 1.905 179.556 177.584 0.111 0.000 1.161 299 A CA 1.623 53.754 52.037 0.157 0.000 0.653 299 A CB -0.803 18.257 19.000 0.100 0.000 0.802 299 A HN 0.643 nan 8.150 nan 0.000 0.457 300 Y N 1.493 121.796 120.300 0.006 0.000 2.114 300 Y HA -0.226 4.324 4.550 -0.000 0.000 0.284 300 Y C 2.838 178.719 175.900 -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 0.404 nan 8.280 nan 0.000 0.499 301 T N -3.035 111.529 114.554 0.017 0.000 3.065 301 T HA 0.066 4.416 4.350 -0.000 0.000 0.252 301 T C 1.275 175.851 174.700 -0.207 0.000 1.099 301 T CA 0.551 62.533 62.100 -0.196 0.000 1.063 301 T CB -0.715 67.819 68.868 -0.557 0.000 0.948 301 T HN 0.352 nan 8.240 nan 0.000 0.506 302 F N -0.261 119.723 119.950 0.058 0.000 2.711 302 F HA 0.349 4.876 4.527 -0.000 0.000 0.296 302 F C 1.279 176.812 175.800 -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 39.483 39.000 0.084 0.000 1.060 302 F HN 0.248 nan 8.300 nan 0.000 0.608 303 H N 2.198 121.021 119.070 -0.411 0.000 2.690 303 H HA 0.228 4.784 4.556 -0.000 0.000 0.289 303 H C -0.981 173.964 175.328 -0.638 0.000 1.089 303 H CA -0.226 55.503 56.048 -0.533 0.000 1.299 303 H CB 0.053 29.699 29.762 -0.193 0.000 1.405 303 H HN 0.102 nan 8.280 nan 0.000 0.463 304 H N 3.783 122.568 119.070 -0.474 0.000 2.529 304 H HA 0.158 4.714 4.556 -0.000 0.000 0.348 304 H C 0.555 175.657 175.328 -0.377 0.000 1.079 304 H CA -0.438 55.407 56.048 -0.337 0.000 1.198 304 H CB 2.198 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 -0.842 113.613 114.554 -0.165 0.000 3.364 305 T HA 0.099 4.448 4.350 -0.000 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 0.591 115.129 114.554 -0.027 0.000 2.824 306 T HA 0.444 4.793 4.350 -0.000 0.000 0.277 306 T C 1.173 175.818 174.700 -0.093 0.000 0.975 306 T CA -0.858 61.220 62.100 -0.037 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 4.337 4.340 -0.000 0.000 0.234 307 R C 1.804 178.097 176.300 -0.011 0.000 1.123 307 R CA 0.650 56.686 56.100 -0.107 0.000 0.975 307 R CB -0.691 29.584 30.300 -0.041 0.000 0.866 307 R HN 0.315 nan 8.270 nan 0.000 0.446 308 L N 1.248 122.463 121.223 -0.013 0.000 2.179 308 L HA -0.027 4.313 4.340 -0.000 0.000 0.208 308 L C 2.042 178.908 176.870 -0.007 0.000 1.096 308 L CA 1.396 56.239 54.840 0.006 0.000 0.779 308 L CB -0.994 41.057 42.059 -0.014 0.000 0.922 308 L HN 0.177 nan 8.230 nan 0.000 0.443 309 N N 0.203 118.882 118.700 -0.036 0.000 2.036 309 N HA -0.242 4.498 4.740 -0.000 0.000 0.195 309 N C 1.756 177.234 175.510 -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 0.059 120.418 120.400 -0.069 0.000 2.025 310 K HA -0.148 4.172 4.320 -0.000 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 -0.388 0.000 0.714 310 K HN 0.336 nan 8.250 nan 0.000 0.438 311 E N 1.523 121.904 120.200 0.301 0.000 2.070 311 E HA -0.267 4.083 4.350 -0.000 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 0.167 0.000 0.805 311 E CB 0.109 29.891 29.700 0.137 0.000 0.744 311 E HN 0.278 nan 8.360 nan 0.000 0.451 312 E N 0.269 120.437 120.200 -0.052 0.000 2.033 312 E HA -0.261 4.089 4.350 -0.000 0.000 0.199 312 E C 2.161 178.679 176.600 -0.137 0.000 1.011 312 E CA 1.769 58.123 56.400 -0.076 0.000 0.815 312 E CB -0.068 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 -0.154 4.166 4.320 -0.000 0.000 0.210 313 K C 2.188 178.403 176.600 -0.641 0.000 1.049 313 K CA 1.476 57.575 56.287 -0.315 0.000 0.929 313 K CB -0.256 31.939 32.500 -0.508 0.000 0.714 313 K HN -0.021 nan 8.250 nan 0.000 0.440 314 V N 1.964 121.362 119.914 -0.862 0.000 2.515 314 V HA -0.215 3.905 4.120 -0.000 0.000 0.250 314 V C 2.006 177.674 176.094 -0.711 0.000 1.058 314 V CA 1.523 63.024 62.300 -1.331 0.000 1.064 314 V CB -0.402 30.854 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 -0.388 0.000 2.211 315 K HA -0.195 4.125 4.320 -0.000 0.000 0.204 315 K C 1.602 178.165 176.600 -0.062 0.000 1.047 315 K CA 1.426 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 -0.594 119.580 120.200 -0.044 0.000 2.445 316 E HA -0.036 4.313 4.350 -0.000 0.000 0.189 316 E C -0.320 176.493 176.600 0.355 0.000 1.069 316 E CA -0.151 56.332 56.400 0.138 0.000 0.871 316 E CB 0.162 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 0.176 121.523 121.300 0.079 0.000 2.436 317 W HA 0.237 4.897 4.660 -0.000 0.000 0.347 317 W C 1.173 177.764 176.519 0.119 0.000 1.136 317 W CA -1.416 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 0.631 116.555 115.700 0.374 0.000 2.470 318 S HA 0.110 4.580 4.470 -0.000 0.000 0.222 318 S C -0.044 174.718 174.600 0.270 0.000 1.024 318 S CA 0.156 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 0.503 121.910 121.223 0.307 0.000 2.455 319 L HA 0.655 4.995 4.340 -0.000 0.000 0.264 319 L C -1.761 175.347 176.870 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 5.420 124.940 119.300 0.366 0.000 2.407 320 C HA 0.792 5.252 4.460 -0.000 0.000 0.328 320 C C -0.834 174.261 174.990 0.175 0.000 1.137 320 C CA -0.462 58.833 59.018 0.463 0.000 1.390 320 C CB 0.364 28.428 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 4.732 4.120 -0.000 0.000 0.279 321 V C 0.765 176.839 176.094 -0.032 0.000 1.029 321 V CA -0.043 62.155 62.300 -0.170 0.000 0.870 321 V CB 1.353 33.109 31.823 -0.112 0.000 0.984 321 V HN 1.028 nan 8.190 nan 0.000 0.451 322 A N 4.339 127.146 122.820 -0.021 0.000 2.366 322 A HA 0.622 4.942 4.320 -0.000 0.000 0.322 322 A C 0.682 178.320 177.584 0.090 0.000 1.397 322 A CA -0.301 51.777 52.037 0.069 0.000 0.984 322 A CB 0.055 19.144 19.000 0.149 0.000 1.149 322 A HN 0.898 nan 8.150 nan 0.000 0.540 323 T N -0.592 113.994 114.554 0.053 0.000 2.732 323 T HA 0.553 4.902 4.350 -0.000 0.000 0.287 323 T C -0.512 174.272 174.700 0.140 0.000 0.993 323 T CA -0.283 61.887 62.100 0.116 0.000 0.966 323 T CB 1.097 70.039 68.868 0.125 0.000 1.047 323 T HN 0.463 nan 8.240 nan 0.000 0.527 324 D N -0.458 120.046 120.400 0.173 0.000 2.738 324 D HA 0.408 5.048 4.640 -0.000 0.000 0.218 324 D C -1.136 175.267 176.300 0.172 0.000 1.345 324 D CA -0.485 53.604 54.000 0.149 0.000 0.943 324 D CB 1.613 42.458 40.800 0.073 0.000 1.514 324 D HN 0.546 nan 8.370 nan 0.000 0.585 325 V N 1.943 121.978 119.914 0.202 0.000 2.644 325 V HA 0.594 4.714 4.120 -0.000 0.000 0.295 325 V C 0.536 176.730 176.094 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 2.415 118.197 115.700 0.136 0.000 2.457 326 S HA 0.293 4.763 4.470 -0.000 0.000 0.289 326 S C 0.261 175.042 174.600 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 0.285 0.000 2.704 327 D HA -0.233 4.407 4.640 -0.000 0.000 0.232 327 D C 0.721 177.245 176.300 0.373 0.000 1.183 327 D CA 1.116 55.295 54.000 0.298 0.000 0.647 327 D CB -1.167 39.808 40.800 0.292 0.000 1.013 327 D HN 0.978 nan 8.370 nan 0.000 0.415 328 H N 0.462 119.675 119.070 0.239 0.000 2.255 328 H HA -0.199 4.356 4.556 -0.000 0.000 0.290 328 H C 1.385 176.861 175.328 0.246 0.000 1.087 328 H CA 2.911 59.103 56.048 0.240 0.000 1.213 328 H CB -0.014 29.853 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 4.505 4.640 -0.000 0.000 0.198 329 D C 2.251 178.527 176.300 -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 -3.030 111.506 114.554 -0.030 0.000 3.088 330 T HA 0.023 4.373 4.350 -0.000 0.000 0.259 330 T C 1.624 176.241 174.700 -0.138 0.000 1.122 330 T CA 0.243 62.275 62.100 -0.113 0.000 1.095 330 T CB -0.409 68.347 68.868 -0.188 0.000 0.930 330 T HN 0.098 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 4.904 4.527 -0.000 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 -0.032 4.628 4.660 -0.000 0.000 0.337 332 W C -2.214 174.160 176.519 -0.242 0.000 1.234 332 W CA -1.408 55.781 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 0.578 177.318 177.300 -0.934 0.000 1.294 333 P CA 0.218 62.771 63.100 -0.912 0.000 0.776 333 P CB 1.301 32.021 31.700 -1.632 0.000 0.889 334 G N 4.056 112.654 108.800 -0.336 0.000 2.462 334 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.220 334 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.220 334 G C 1.235 176.034 174.900 -0.168 0.000 1.121 334 G CA -0.014 45.007 45.100 -0.131 0.000 0.758 334 G HN 0.710 nan 8.290 nan 0.000 0.559 335 W N 0.003 121.175 121.300 -0.213 0.000 2.425 335 W HA 0.093 4.753 4.660 -0.000 0.000 0.277 335 W C 1.615 177.948 176.519 -0.309 0.000 1.231 335 W CA 0.279 57.500 57.345 -0.207 0.000 1.248 335 W CB -0.905 28.447 29.460 -0.181 0.000 1.117 335 W HN 0.152 nan 8.180 nan 0.000 0.568 336 L N 2.321 122.988 121.223 -0.927 0.000 2.141 336 L HA -0.088 4.252 4.340 -0.000 0.000 0.209 336 L C 3.024 179.664 176.870 -0.383 0.000 1.094 336 L CA 1.999 56.285 54.840 -0.922 0.000 0.763 336 L CB -0.996 40.076 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 4.152 4.340 -0.000 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 29.916 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 4.449 4.640 -0.000 0.000 0.197 338 D C 1.998 178.334 176.300 0.061 0.000 0.987 338 D CA 1.126 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 0.673 121.929 121.223 0.055 0.000 1.989 339 L HA -0.169 4.170 4.340 -0.000 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 -0.819 119.746 120.570 -0.007 0.000 2.151 340 I HA -0.422 3.747 4.170 -0.000 0.000 0.243 340 I C 2.671 178.715 176.117 -0.121 0.000 1.080 340 I CA 1.606 62.866 61.300 -0.067 0.000 1.339 340 I CB -0.583 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 -0.221 4.239 4.460 -0.000 0.000 0.276 341 C C 2.621 177.593 174.990 -0.029 0.000 1.236 341 C CA 1.460 60.478 59.018 -0.000 0.000 1.735 341 C CB -1.052 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 0.499 120.897 120.400 -0.004 0.000 2.104 342 D HA -0.176 4.464 4.640 -0.000 0.000 0.194 342 D C 2.081 178.365 176.300 -0.026 0.000 0.994 342 D CA 1.684 55.684 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 4.253 4.350 -0.000 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 4.153 4.340 -0.000 0.000 0.208 344 L C 2.387 179.188 176.870 -0.115 0.000 1.077 344 L CA 0.974 55.603 54.840 -0.351 0.000 0.747 344 L CB -0.352 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 -0.544 120.653 121.223 -0.043 0.000 2.093 345 L HA -0.204 4.136 4.340 -0.000 0.000 0.208 345 L C 2.343 179.230 176.870 0.028 0.000 1.085 345 L CA 0.909 55.763 54.840 0.022 0.000 0.755 345 L CB -0.636 41.437 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 4.559 4.740 -0.000 0.000 0.190 346 N C 1.850 177.381 175.510 0.034 0.000 1.030 346 N CA 1.524 54.585 53.050 0.019 0.000 0.849 346 N CB -0.347 38.147 38.487 0.011 0.000 1.012 346 N HN 0.324 nan 8.380 nan 0.000 0.423 347 M N -0.472 119.154 119.600 0.044 0.000 2.435 347 M HA -0.031 4.448 4.480 -0.000 0.000 0.262 347 M C 0.767 177.132 176.300 0.108 0.000 1.065 347 M CA 1.259 56.612 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 -0.208 108.654 108.800 0.104 0.000 2.173 348 G HA2 -0.231 3.728 3.960 -0.000 0.000 0.174 348 G HA3 -0.231 3.728 3.960 -0.000 0.000 0.174 348 G C -0.492 174.423 174.900 0.025 0.000 1.025 348 G CA -0.788 44.344 45.100 0.052 0.000 0.706 348 G HN 0.452 nan 8.290 nan 0.000 0.499 349 Y N 0.857 121.078 120.300 -0.131 0.000 2.335 349 Y HA 0.481 5.030 4.550 -0.000 0.000 0.331 349 Y C 1.292 177.054 175.900 -0.231 0.000 1.094 349 Y CA -0.055 57.918 58.100 -0.212 0.000 1.253 349 Y CB 1.253 39.586 38.460 -0.212 0.000 1.203 349 Y HN 0.584 nan 8.280 nan 0.000 0.508 350 A N 6.882 129.517 122.820 -0.307 0.000 2.583 350 A HA -0.051 4.269 4.320 -0.000 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 -0.250 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 1.722 179.048 177.300 0.042 0.000 1.163 351 P CA 2.220 65.320 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 -1.556 119.829 121.300 0.142 0.000 2.321 352 W HA -0.196 4.463 4.660 -0.000 0.000 0.306 352 W C 2.071 178.707 176.519 0.195 0.000 1.217 352 W CA 0.678 58.100 57.345 0.128 0.000 1.257 352 W CB -2.023 27.495 29.460 0.096 0.000 1.145 352 W HN 0.087 nan 8.180 nan 0.000 0.509 353 W N 2.021 123.010 121.300 -0.518 0.000 2.381 353 W HA -0.128 4.532 4.660 -0.000 0.000 0.301 353 W C 2.474 178.991 176.519 -0.003 0.000 1.205 353 W CA 2.729 59.905 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 1.222 121.309 119.914 0.290 0.000 2.407 354 V HA -0.295 3.825 4.120 -0.000 0.000 0.248 354 V C 2.310 178.464 176.094 0.100 0.000 1.055 354 V CA 2.211 64.653 62.300 0.237 0.000 1.049 354 V CB -0.920 31.015 31.823 0.186 0.000 0.662 354 V HN 0.062 nan 8.190 nan 0.000 0.455 355 K N 0.328 120.791 120.400 0.105 0.000 2.097 355 K HA -0.118 4.202 4.320 -0.000 0.000 0.206 355 K C 1.869 178.513 176.600 0.073 0.000 1.049 355 K CA 1.576 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 -0.676 120.547 121.223 -0.001 0.000 1.994 356 L HA -0.136 4.204 4.340 -0.000 0.000 0.208 356 L C 2.235 179.002 176.870 -0.172 0.000 1.071 356 L CA 1.466 56.261 54.840 -0.076 0.000 0.745 356 L CB -0.588 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 1.010 120.653 119.950 -0.513 0.000 2.091 357 F HA -0.299 4.228 4.527 -0.000 0.000 0.299 357 F C 2.632 178.330 175.800 -0.170 0.000 1.103 357 F CA 2.170 59.897 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 -0.514 119.693 120.200 0.011 0.000 2.007 358 E HA -0.226 4.124 4.350 -0.000 0.000 0.194 358 E C 2.047 178.609 176.600 -0.063 0.000 0.999 358 E CA 2.198 58.601 56.400 0.005 0.000 0.811 358 E CB -0.456 29.300 29.700 0.094 0.000 0.762 358 E HN 0.389 nan 8.360 nan 0.000 0.450 359 T N 0.655 115.207 114.554 -0.004 0.000 2.685 359 T HA -0.257 4.093 4.350 -0.000 0.000 0.268 359 T C 2.066 176.728 174.700 -0.064 0.000 1.034 359 T CA 1.877 63.976 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 4.469 4.470 -0.000 0.000 0.238 360 S C 1.679 176.242 174.600 -0.061 0.000 1.010 360 S CA 0.771 58.900 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 0.576 121.700 121.223 -0.164 0.000 2.628 361 L HA 0.327 4.667 4.340 -0.000 0.000 0.229 361 L C 1.093 177.933 176.870 -0.050 0.000 1.137 361 L CA 0.055 54.809 54.840 -0.144 0.000 0.909 361 L CB 0.042 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 -1.133 119.252 120.400 -0.025 0.000 2.644 362 K HA 0.257 4.576 4.320 -0.000 0.000 0.198 362 K C -0.169 176.420 176.600 -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 2.866 124.117 121.223 0.045 0.000 2.452 363 L HA 0.271 4.611 4.340 -0.000 0.000 0.267 363 L C -2.347 174.584 176.870 0.101 0.000 1.188 363 L CA -1.536 53.334 54.840 0.050 0.000 0.821 363 L CB 0.352 42.463 42.059 0.086 0.000 1.102 363 L HN 0.001 nan 8.230 nan 0.000 0.470 364 P HA 0.235 nan 4.420 nan 0.000 0.273 364 P C -1.614 175.778 177.300 0.153 0.000 1.250 364 P CA -0.267 62.883 63.100 0.084 0.000 0.793 364 P CB 0.766 32.494 31.700 0.047 0.000 1.011 365 V N -1.422 118.589 119.914 0.162 0.000 2.709 365 V HA 0.504 4.624 4.120 -0.000 0.000 0.308 365 V C -1.517 174.696 176.094 0.199 0.000 1.062 365 V CA -1.008 61.398 62.300 0.178 0.000 0.901 365 V CB 1.611 33.492 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 0.105 0.000 2.404 366 Y HA 0.689 5.238 4.550 -0.000 0.000 0.344 366 Y C -0.118 175.765 175.900 -0.029 0.000 0.970 366 Y CA -0.527 57.651 58.100 0.130 0.000 1.180 366 Y CB 1.480 40.101 38.460 0.268 0.000 1.138 366 Y HN 0.699 nan 8.280 nan 0.000 0.510 367 V N 7.914 127.475 119.914 -0.589 0.000 2.432 367 V HA 0.228 4.347 4.120 -0.000 0.000 0.271 367 V C 0.905 176.495 176.094 -0.840 0.000 1.046 367 V CA 0.628 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 3.934 112.377 108.800 -0.595 0.000 2.561 368 G HA2 0.351 4.310 3.960 -0.000 0.000 0.208 368 G HA3 0.351 4.310 3.960 -0.000 0.000 0.208 368 G C 0.323 174.917 174.900 -0.510 0.000 1.510 368 G CA 0.548 45.384 45.100 -0.440 0.000 0.941 368 G HN 1.058 nan 8.290 nan 0.000 0.478 369 A N 0.448 123.155 122.820 -0.188 0.000 2.815 369 A HA 0.641 4.961 4.320 -0.000 0.000 0.318 369 A C -1.457 176.157 177.584 0.049 0.000 1.186 369 A CA -0.831 51.154 52.037 -0.088 0.000 0.754 369 A CB 1.435 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 0.084 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 1.737 64.572 63.100 -0.441 0.000 0.787 370 P CB 0.374 31.755 31.700 -0.532 0.000 0.788 371 A N -1.537 121.213 122.820 -0.117 0.000 2.566 371 A HA 0.602 4.921 4.320 -0.000 0.000 0.290 371 A C -3.163 174.237 177.584 -0.307 0.000 1.071 371 A CA -1.506 50.284 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 0.357 nan 4.420 nan 0.000 0.266 372 P C -0.474 176.815 177.300 -0.018 0.000 1.195 372 P CA 1.154 64.168 63.100 -0.145 0.000 0.768 372 P CB 0.326 31.909 31.700 -0.194 0.000 0.838 373 E N -0.297 119.951 120.200 0.080 0.000 2.476 373 E HA -0.244 4.106 4.350 -0.000 0.000 0.251 373 E C -0.551 176.115 176.600 0.110 0.000 1.130 373 E CA 1.265 57.716 56.400 0.086 0.000 0.736 373 E CB -1.712 28.013 29.700 0.042 0.000 1.298 373 E HN 0.499 nan 8.360 nan 0.000 0.400 374 Q N -1.538 118.354 119.800 0.153 0.000 2.435 374 Q HA 0.612 4.952 4.340 -0.000 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 3.744 3.960 -0.000 0.000 0.206 375 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.206 375 G C -0.960 173.883 174.900 -0.095 0.000 1.202 375 G CA 0.002 44.994 45.100 -0.180 0.000 1.061 375 G HN 0.936 nan 8.290 nan 0.000 0.563 376 H N -0.350 118.659 119.070 -0.102 0.000 2.604 376 H HA -0.038 4.517 4.556 -0.000 0.000 0.321 376 H C 0.182 175.532 175.328 0.036 0.000 1.132 376 H CA 1.350 57.398 56.048 -0.001 0.000 1.129 376 H CB -1.745 28.099 29.762 0.136 0.000 1.526 376 H HN 0.756 nan 8.280 nan 0.000 0.415 377 T N 0.701 115.168 114.554 -0.146 0.000 2.912 377 T HA 0.476 4.825 4.350 -0.000 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 2.077 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 3.978 125.429 121.223 0.380 0.000 2.282 378 L HA 0.643 4.982 4.340 -0.000 0.000 0.288 378 L C -1.250 175.884 176.870 0.441 0.000 1.033 378 L CA -0.461 54.648 54.840 0.448 0.000 0.807 378 L CB 0.435 42.809 42.059 0.525 0.000 1.209 378 L HN 0.575 nan 8.230 nan 0.000 0.423 379 L N 5.925 127.349 121.223 0.334 0.000 2.295 379 L HA 0.773 5.113 4.340 -0.000 0.000 0.285 379 L C 0.669 177.684 176.870 0.241 0.000 1.035 379 L CA -0.431 54.574 54.840 0.275 0.000 0.806 379 L CB 0.982 43.174 42.059 0.221 0.000 1.214 379 L HN 0.932 nan 8.230 nan 0.000 0.426 380 G N 2.183 111.126 108.800 0.239 0.000 2.722 380 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.686 380 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.686 380 G C -0.945 174.133 174.900 0.297 0.000 1.282 380 G CA -0.770 44.453 45.100 0.205 0.000 0.817 380 G HN 0.745 nan 8.290 nan 0.000 0.605 381 D N 2.293 122.830 120.400 0.228 0.000 2.313 381 D HA 0.503 5.143 4.640 -0.000 0.000 0.239 381 D C -0.802 175.471 176.300 -0.046 0.000 1.142 381 D CA -2.313 51.764 54.000 0.129 0.000 0.847 381 D CB 1.439 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 -0.068 nan 4.420 nan 0.000 0.221 382 P C 1.034 178.251 177.300 -0.140 0.000 1.145 382 P CA 0.738 63.726 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 -1.614 114.037 115.700 -0.082 0.000 2.423 383 S HA -0.056 4.414 4.470 -0.000 0.000 0.231 383 S C 1.035 175.646 174.600 0.018 0.000 1.014 383 S CA 0.887 59.098 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 4.986 4.740 -0.000 0.000 0.242 384 N C -3.361 171.969 175.510 -0.301 0.000 1.398 384 N CA -1.259 51.651 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 -0.317 176.850 177.300 -0.222 0.000 1.173 385 P CA 0.469 63.359 63.100 -0.349 0.000 0.780 385 P CB 0.190 31.603 31.700 -0.478 0.000 0.758 386 D N 1.816 122.151 120.400 -0.109 0.000 2.822 386 D HA 0.117 4.757 4.640 -0.000 0.000 0.327 386 D C -0.288 175.998 176.300 -0.022 0.000 1.577 386 D CA -0.242 53.724 54.000 -0.056 0.000 0.785 386 D CB -0.666 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 0.587 121.799 121.223 -0.019 0.000 2.456 387 L HA 0.473 4.812 4.340 -0.000 0.000 0.257 387 L C 0.497 177.368 176.870 0.001 0.000 1.162 387 L CA 0.309 55.148 54.840 -0.001 0.000 0.808 387 L CB 0.820 42.886 42.059 0.011 0.000 1.136 387 L HN 0.014 nan 8.230 nan 0.000 0.466 388 E N 1.352 121.554 120.200 0.003 0.000 3.666 388 E HA 0.146 4.496 4.350 -0.000 0.000 0.230 388 E C 0.334 176.934 176.600 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 -1.432 118.471 119.914 -0.019 0.000 3.623 389 V HA 0.387 4.506 4.120 -0.000 0.000 0.271 389 V C 1.045 177.109 176.094 -0.049 0.000 1.248 389 V CA 0.806 63.078 62.300 -0.046 0.000 1.156 389 V CB -0.448 31.324 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 0.006 0.000 2.545 390 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.240 390 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.240 390 G C -0.487 174.394 174.900 -0.033 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 1.085 122.196 121.223 -0.185 0.000 2.312 391 L HA 0.598 4.937 4.340 -0.000 0.000 0.281 391 L C 0.513 177.179 176.870 -0.339 0.000 1.070 391 L CA -0.243 54.333 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 0.584 116.029 115.700 -0.425 0.000 2.520 392 S HA 0.128 4.598 4.470 -0.000 0.000 0.324 392 S C 1.092 175.453 174.600 -0.398 0.000 1.069 392 S CA -0.413 57.472 58.200 -0.525 0.000 1.121 392 S CB 1.098 63.713 63.200 -0.975 0.000 0.971 392 S HN 0.791 nan 8.310 nan 0.000 0.463 393 S N 4.260 119.809 115.700 -0.252 0.000 2.381 393 S HA -0.167 4.303 4.470 -0.000 0.000 0.230 393 S C 1.920 176.491 174.600 -0.048 0.000 1.052 393 S CA 1.760 59.887 58.200 -0.123 0.000 1.068 393 S CB -1.214 61.945 63.200 -0.069 0.000 0.918 393 S HN 0.878 nan 8.310 nan 0.000 0.448 394 G N 1.139 109.938 108.800 -0.001 0.000 2.776 394 G HA2 -0.006 3.954 3.960 -0.000 0.000 0.209 394 G HA3 -0.006 3.954 3.960 -0.000 0.000 0.209 394 G C 0.545 175.571 174.900 0.210 0.000 1.145 394 G CA -0.103 45.089 45.100 0.152 0.000 0.791 394 G HN 0.575 nan 8.290 nan 0.000 0.530 395 Q N 0.431 120.313 119.800 0.136 0.000 2.395 395 Q HA 0.104 4.444 4.340 -0.000 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 2.590 111.447 108.800 0.095 0.000 2.462 396 G HA2 -0.176 3.783 3.960 -0.000 0.000 0.220 396 G HA3 -0.176 3.783 3.960 -0.000 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 4.749 4.320 -0.000 0.000 0.291 397 A C 1.995 179.622 177.584 0.073 0.000 1.116 397 A CA 1.043 53.183 52.037 0.171 0.000 0.963 397 A CB -0.275 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 -0.306 4.043 4.350 -0.000 0.000 0.268 398 T C 1.504 176.177 174.700 -0.045 0.000 1.033 398 T CA 1.908 63.947 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 1.964 122.373 120.400 0.015 0.000 2.144 399 D HA -0.089 4.551 4.640 -0.000 0.000 0.199 399 D C 2.161 178.481 176.300 0.035 0.000 0.984 399 D CA 0.822 54.842 54.000 0.033 0.000 0.834 399 D CB -0.796 40.041 40.800 0.062 0.000 0.955 399 D HN 0.420 nan 8.370 nan 0.000 0.465 400 L N -0.618 120.631 121.223 0.042 0.000 2.056 400 L HA -0.098 4.242 4.340 -0.000 0.000 0.207 400 L C 2.733 179.690 176.870 0.145 0.000 1.078 400 L CA 0.808 55.678 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 4.359 4.480 -0.000 0.000 0.261 401 M C 2.358 178.879 176.300 0.369 0.000 1.066 401 M CA 1.886 57.324 55.300 0.230 0.000 1.107 401 M CB -1.804 30.675 32.600 -0.202 0.000 1.356 401 M HN 0.301 nan 8.290 nan 0.000 0.406 402 G N -0.512 108.411 108.800 0.205 0.000 2.402 402 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.216 402 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.216 402 G C 1.569 176.652 174.900 0.305 0.000 1.162 402 G CA 1.364 46.689 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 4.270 4.350 -0.000 0.000 0.265 403 T C 2.219 177.058 174.700 0.232 0.000 1.038 403 T CA 0.936 63.130 62.100 0.156 0.000 1.144 403 T CB -0.275 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 1.569 122.929 121.223 0.229 0.000 1.990 404 L HA -0.072 4.268 4.340 -0.000 0.000 0.213 404 L C 2.304 179.413 176.870 0.398 0.000 1.072 404 L CA 1.857 56.901 54.840 0.339 0.000 0.755 404 L CB -1.529 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 -0.267 121.179 121.223 0.371 0.000 1.943 405 L HA -0.246 4.093 4.340 -0.000 0.000 0.215 405 L C 2.511 179.550 176.870 0.282 0.000 1.074 405 L CA 2.167 57.167 54.840 0.267 0.000 0.759 405 L CB -0.653 41.524 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 4.305 4.480 -0.000 0.000 0.261 406 M C 2.620 178.949 176.300 0.047 0.000 1.066 406 M CA 1.922 57.243 55.300 0.035 0.000 1.107 406 M CB -1.937 30.738 32.600 0.125 0.000 1.356 406 M HN 0.556 nan 8.290 nan 0.000 0.406 407 S N 0.735 116.682 115.700 0.411 0.000 2.353 407 S HA -0.114 4.355 4.470 -0.000 0.000 0.222 407 S C 1.900 176.801 174.600 0.502 0.000 1.035 407 S CA 1.087 59.667 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 4.068 4.170 -0.000 0.000 0.248 408 I C 2.459 178.584 176.117 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 35.820 38.000 -0.106 0.000 1.065 408 I HN 0.344 nan 8.210 nan 0.000 0.418 409 T N 0.564 115.164 114.554 0.075 0.000 2.684 409 T HA -0.203 4.147 4.350 -0.000 0.000 0.267 409 T C 1.872 176.609 174.700 0.061 0.000 1.036 409 T CA 1.570 63.717 62.100 0.078 0.000 1.148 409 T CB -0.363 68.503 68.868 -0.003 0.000 0.863 409 T HN 0.187 nan 8.240 nan 0.000 0.436 410 Y N 0.971 121.413 120.300 0.236 0.000 2.200 410 Y HA 0.063 4.613 4.550 -0.000 0.000 0.290 410 Y C 2.214 178.197 175.900 0.139 0.000 1.137 410 Y CA -0.038 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 -0.422 120.957 121.223 0.261 0.000 2.079 411 L HA -0.162 4.177 4.340 -0.000 0.000 0.210 411 L C 2.104 178.964 176.870 -0.018 0.000 1.081 411 L CA 1.467 56.309 54.840 0.004 0.000 0.752 411 L CB -0.922 41.034 42.059 -0.173 0.000 0.896 411 L HN 0.061 nan 8.230 nan 0.000 0.433 412 V N -0.550 119.383 119.914 0.032 0.000 2.307 412 V HA -0.323 3.796 4.120 -0.000 0.000 0.245 412 V C 2.643 178.805 176.094 0.113 0.000 1.045 412 V CA 2.163 64.488 62.300 0.041 0.000 1.024 412 V CB -0.435 31.445 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 4.171 4.480 -0.000 0.000 0.259 413 M C 2.370 178.876 176.300 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 32.445 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 4.186 4.340 -0.000 0.000 0.200 414 Q C 2.091 178.188 176.000 0.162 0.000 0.978 414 Q CA 1.307 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 4.069 4.340 -0.000 0.000 0.215 415 L C 2.045 178.888 176.870 -0.045 0.000 1.072 415 L CA 1.327 56.131 54.840 -0.060 0.000 0.758 415 L CB -0.699 41.286 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 4.431 4.640 -0.000 0.000 0.190 416 D C 2.051 178.211 176.300 -0.233 0.000 0.997 416 D CA 1.554 55.447 54.000 -0.179 0.000 0.833 416 D CB -0.325 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 -1.558 117.555 119.070 0.071 0.000 2.553 417 H HA 0.159 4.715 4.556 -0.000 0.000 0.265 417 H C 1.272 176.651 175.328 0.085 0.000 0.964 417 H CA 1.402 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 -3.837 110.847 114.554 0.218 0.000 3.252 418 T HA 0.425 4.775 4.350 -0.000 0.000 0.295 418 T C 0.818 175.643 174.700 0.207 0.000 0.897 418 T CA 0.217 62.450 62.100 0.221 0.000 0.905 418 T CB 0.246 69.310 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 4.900 4.320 -0.000 0.000 0.230 419 A C -1.531 175.797 177.584 -0.428 0.000 0.896 419 A CA -0.648 51.248 52.037 -0.234 0.000 1.114 419 A CB 0.438 19.297 19.000 -0.236 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 -0.627 118.419 119.070 -0.040 0.000 2.543 421 H HA 0.012 4.568 4.556 -0.000 0.000 0.286 421 H C 1.788 177.066 175.328 -0.083 0.000 1.037 421 H CA 0.589 56.609 56.048 -0.046 0.000 1.250 421 H CB -1.203 28.549 29.762 -0.016 0.000 1.373 421 H HN 0.225 nan 8.280 nan 0.000 0.580 422 L N 0.421 121.406 121.223 -0.397 0.000 2.509 422 L HA -0.012 4.327 4.340 -0.000 0.000 0.222 422 L C 1.930 178.540 176.870 -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 41.554 42.059 -0.466 0.000 0.985 422 L HN 0.114 nan 8.230 nan 0.000 0.456 423 N N 0.635 119.143 118.700 -0.320 0.000 2.094 423 N HA -0.205 4.535 4.740 -0.000 0.000 0.191 423 N C 2.081 177.449 175.510 -0.237 0.000 1.023 423 N CA 1.940 54.824 53.050 -0.277 0.000 0.857 423 N CB -0.289 38.088 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 4.423 4.470 -0.000 0.000 0.235 424 S C 1.637 176.152 174.600 -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 0.764 121.133 120.500 -0.217 0.000 2.280 425 R HA 0.258 4.598 4.340 -0.000 0.000 0.207 425 R C 0.154 176.326 176.300 -0.213 0.000 1.043 425 R CA 0.485 56.459 56.100 -0.211 0.000 1.006 425 R CB -0.393 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 0.998 121.418 120.570 -0.250 0.000 2.503 426 I HA 0.169 4.339 4.170 -0.000 0.000 0.277 426 I C 0.740 176.786 176.117 -0.118 0.000 1.078 426 I CA -0.114 61.076 61.300 -0.184 0.000 1.184 426 I CB 1.313 39.160 38.000 -0.254 0.000 1.353 426 I HN -0.182 nan 8.210 nan 0.000 0.490 427 K N 2.364 122.719 120.400 -0.076 0.000 2.350 427 K HA 0.151 4.471 4.320 -0.000 0.000 0.196 427 K C -0.294 176.284 176.600 -0.037 0.000 1.084 427 K CA 0.423 56.677 56.287 -0.055 0.000 0.967 427 K CB 0.479 32.954 32.500 -0.043 0.000 0.950 427 K HN 0.683 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 0.110 4.749 4.640 -0.000 0.000 0.327 428 D C 0.654 176.949 176.300 -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 -0.010 4.469 4.480 -0.000 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 2.438 65.551 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 -0.769 114.942 115.700 0.019 0.000 2.382 431 S HA -0.129 4.341 4.470 -0.000 0.000 0.228 431 S C 2.079 176.704 174.600 0.043 0.000 1.027 431 S CA 1.234 59.449 58.200 0.025 0.000 0.991 431 S CB -1.474 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 1.275 124.106 122.820 0.019 0.000 1.845 432 A HA -0.045 4.275 4.320 -0.000 0.000 0.215 432 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 0.616 432 A CB -1.607 17.384 19.000 -0.013 0.000 0.832 432 A HN 0.693 nan 8.150 nan 0.000 0.443 433 C N -1.067 118.235 119.300 0.002 0.000 2.388 433 C HA -0.157 4.303 4.460 -0.000 0.000 0.277 433 C C 2.817 177.802 174.990 -0.008 0.000 1.210 433 C CA 1.291 60.298 59.018 -0.019 0.000 1.743 433 C CB -1.465 26.285 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 -0.231 4.109 4.340 -0.000 0.000 0.245 434 R C 2.083 178.417 176.300 0.056 0.000 1.137 434 R CA 2.327 58.463 56.100 0.060 0.000 0.947 434 R CB -0.757 29.589 30.300 0.076 0.000 0.865 434 R HN 0.612 nan 8.270 nan 0.000 0.437 435 F N 1.212 121.127 119.950 -0.057 0.000 2.069 435 F HA -0.228 4.298 4.527 -0.000 0.000 0.298 435 F C 2.066 177.799 175.800 -0.112 0.000 1.113 435 F CA 1.449 59.403 58.000 -0.076 0.000 1.214 435 F CB -0.576 38.354 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 4.122 4.340 -0.000 0.000 0.208 436 L C 2.299 178.821 176.870 -0.581 0.000 1.077 436 L CA 2.442 56.920 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 4.441 4.640 -0.000 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 -1.256 114.393 115.700 -0.085 0.000 2.377 438 S HA -0.147 4.323 4.470 -0.000 0.000 0.223 438 S C 2.032 176.530 174.600 -0.170 0.000 1.030 438 S CA 0.505 58.674 58.200 -0.052 0.000 0.970 438 S CB -0.692 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 0.372 120.366 120.300 -0.510 0.000 2.128 439 Y HA -0.168 4.382 4.550 -0.000 0.000 0.284 439 Y C 1.911 177.667 175.900 -0.239 0.000 1.154 439 Y CA 2.079 59.871 58.100 -0.514 0.000 1.149 439 Y CB -0.345 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 1.125 122.156 121.300 -0.447 0.000 2.425 440 W HA -0.115 4.545 4.660 -0.000 0.000 0.277 440 W C 1.926 178.267 176.519 -0.297 0.000 1.231 440 W CA 1.152 58.208 57.345 -0.481 0.000 1.248 440 W CB -0.798 28.367 29.460 -0.491 0.000 1.117 440 W HN 0.311 nan 8.180 nan 0.000 0.568 441 Q N -0.584 119.179 119.800 -0.062 0.000 2.415 441 Q HA 0.166 4.506 4.340 -0.000 0.000 0.206 441 Q C 1.627 177.228 176.000 -0.665 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 -0.532 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 3.639 3.960 -0.000 0.000 0.257 442 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.257 442 G C 0.189 174.761 174.900 -0.547 0.000 0.983 442 G CA 0.545 44.903 45.100 -1.237 0.000 0.676 442 G HN 0.648 nan 8.290 nan 0.000 0.528 443 H N 0.030 118.915 119.070 -0.308 0.000 2.543 443 H HA 0.218 4.773 4.556 -0.000 0.000 0.269 443 H C 0.930 176.201 175.328 -0.095 0.000 1.005 443 H CA 0.190 56.148 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 0.647 120.842 120.200 -0.008 0.000 2.259 444 E HA -0.001 4.349 4.350 -0.000 0.000 0.257 444 E C 0.932 177.547 176.600 0.024 0.000 0.998 444 E CA -0.292 56.137 56.400 0.049 0.000 0.866 444 E CB 1.177 30.936 29.700 0.098 0.000 1.220 444 E HN 0.494 nan 8.360 nan 0.000 0.415 445 E N 0.522 120.764 120.200 0.069 0.000 2.418 445 E HA -0.058 4.292 4.350 -0.000 0.000 0.197 445 E C 0.574 177.155 176.600 -0.032 0.000 1.026 445 E CA 0.558 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 0.426 nan 8.360 nan 0.000 0.518 446 I N -1.236 119.291 120.570 -0.072 0.000 2.474 446 I HA 0.598 4.768 4.170 -0.000 0.000 0.294 446 I C -0.477 175.527 176.117 -0.189 0.000 1.005 446 I CA -1.278 59.842 61.300 -0.299 0.000 1.113 446 I CB 1.791 39.633 38.000 -0.265 0.000 1.289 446 I HN -0.150 nan 8.210 nan 0.000 0.436 447 R N 4.052 124.239 120.500 -0.521 0.000 2.817 447 R HA 0.667 5.006 4.340 -0.000 0.000 0.268 447 R C -1.527 174.476 176.300 -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 0.664 120.313 119.800 -0.251 0.000 2.482 448 Q HA 0.638 4.978 4.340 -0.000 0.000 0.286 448 Q C -1.306 174.696 176.000 0.005 0.000 1.007 448 Q CA -1.052 54.674 55.803 -0.129 0.000 0.801 448 Q CB 2.035 30.741 28.738 -0.053 0.000 1.455 448 Q HN 0.628 nan 8.270 nan 0.000 0.398 449 I N -0.609 119.900 120.570 -0.102 0.000 2.499 449 I HA 0.885 5.055 4.170 -0.000 0.000 0.288 449 I C -0.900 175.009 176.117 -0.346 0.000 1.048 449 I CA -0.634 60.507 61.300 -0.264 0.000 1.062 449 I CB 2.168 39.790 38.000 -0.630 0.000 1.238 449 I HN 0.877 nan 8.210 nan 0.000 0.426 450 S N 3.902 119.698 115.700 0.160 0.000 2.588 450 S HA 0.706 5.176 4.470 -0.000 0.000 0.269 450 S C -1.154 173.868 174.600 0.703 0.000 1.157 450 S CA -0.950 57.519 58.200 0.449 0.000 0.824 450 S CB 2.277 65.712 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 4.917 4.320 -0.000 0.000 0.253 451 K C 0.148 176.878 176.600 0.215 0.000 1.002 451 K CA 0.036 56.531 56.287 0.347 0.000 0.880 451 K CB 1.122 33.763 32.500 0.235 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 4.178 4.470 -0.000 0.000 0.550 452 S C 0.564 175.181 174.600 0.027 0.000 1.887 452 S CA 1.974 60.185 58.200 0.019 0.000 4.230 452 S CB -0.993 62.154 63.200 -0.089 0.000 0.378 452 S HN 1.017 nan 8.310 nan 0.000 0.490 453 D N 1.827 122.161 120.400 -0.111 0.000 2.328 453 D HA 0.298 4.938 4.640 -0.000 0.000 0.221 453 D C -0.100 176.309 176.300 0.181 0.000 1.072 453 D CA 0.237 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 0.674 5.314 4.640 -0.000 0.000 0.246 454 D C -1.054 175.457 176.300 0.351 0.000 1.027 454 D CA -0.657 53.477 54.000 0.223 0.000 0.853 454 D CB 1.825 42.693 40.800 0.113 0.000 1.243 454 D HN 0.167 nan 8.370 nan 0.000 0.462 455 A N 2.536 125.489 122.820 0.223 0.000 2.544 455 A HA 0.656 4.976 4.320 -0.000 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 1.428 120.797 119.600 -0.386 0.000 2.267 456 M HA 0.444 4.924 4.480 -0.000 0.000 0.289 456 M C -1.497 174.743 176.300 -0.100 0.000 1.043 456 M CA -0.164 55.044 55.300 -0.153 0.000 0.928 456 M CB 1.804 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 5.173 4.340 -0.000 0.000 0.285 457 L C 0.453 176.929 176.870 -0.656 0.000 1.049 457 L CA -0.639 53.962 54.840 -0.399 0.000 0.804 457 L CB 1.430 43.327 42.059 -0.270 0.000 1.195 457 L HN 0.794 nan 8.230 nan 0.000 0.428 458 G N 2.082 110.021 108.800 -1.434 0.000 2.498 458 G HA2 0.619 4.579 3.960 -0.000 0.000 0.312 458 G HA3 0.619 4.579 3.960 -0.000 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 1.114 122.093 121.300 -0.535 0.000 2.957 459 W HA 0.416 5.076 4.660 -0.000 0.000 0.336 459 W C 0.200 176.652 176.519 -0.112 0.000 1.087 459 W CA -0.597 56.609 57.345 -0.233 0.000 1.235 459 W CB 2.352 31.750 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 4.760 4.350 -0.000 0.000 0.278 460 T C 0.266 175.076 174.700 0.184 0.000 0.981 460 T CA -0.858 61.337 62.100 0.157 0.000 0.973 460 T CB 1.542 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 4.869 4.320 -0.000 0.000 0.278 461 K C 0.635 177.307 176.600 0.121 0.000 1.009 461 K CA 0.495 56.861 56.287 0.131 0.000 0.995 461 K CB 0.330 32.891 32.500 0.100 0.000 0.917 461 K HN 1.087 nan 8.250 nan 0.000 0.481 462 G N 1.236 110.104 108.800 0.114 0.000 2.343 462 G HA2 0.001 3.961 3.960 -0.000 0.000 0.289 462 G HA3 0.001 3.961 3.960 -0.000 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 4.324 4.340 -0.000 0.000 0.235 463 R C 2.928 179.304 176.300 0.126 0.000 1.131 463 R CA 1.932 58.012 56.100 -0.035 0.000 0.960 463 R CB -0.365 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 1.053 124.061 122.820 0.315 0.000 2.015 464 A HA -0.122 4.197 4.320 -0.000 0.000 0.219 464 A C 1.984 179.727 177.584 0.266 0.000 1.163 464 A CA 0.689 52.967 52.037 0.402 0.000 0.646 464 A CB -0.354 18.953 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 4.180 4.340 -0.000 0.000 0.213 465 L C 2.369 179.279 176.870 0.068 0.000 1.079 465 L CA 2.302 57.228 54.840 0.143 0.000 0.758 465 L CB -0.775 41.401 42.059 0.195 0.000 0.891 465 L HN 0.222 nan 8.230 nan 0.000 0.433 466 V N -0.294 119.659 119.914 0.065 0.000 2.427 466 V HA -0.108 4.012 4.120 -0.000 0.000 0.248 466 V C 2.391 178.485 176.094 -0.001 0.000 1.051 466 V CA 1.792 64.111 62.300 0.032 0.000 1.048 466 V CB -0.745 31.079 31.823 0.003 0.000 0.666 466 V HN 0.594 nan 8.190 nan 0.000 0.456 467 G N -0.432 108.360 108.800 -0.014 0.000 2.418 467 G HA2 -0.141 3.819 3.960 -0.000 0.000 0.217 467 G HA3 -0.141 3.819 3.960 -0.000 0.000 0.217 467 G C 1.596 176.368 174.900 -0.213 0.000 1.158 467 G CA 0.837 45.920 45.100 -0.029 0.000 0.771 467 G HN 0.688 nan 8.290 nan 0.000 0.545 468 G N 0.307 108.750 108.800 -0.596 0.000 2.553 468 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.218 468 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.218 468 G C 1.603 176.043 174.900 -0.766 0.000 1.195 468 G CA 1.241 45.473 45.100 -1.447 0.000 0.779 468 G HN 0.531 nan 8.290 nan 0.000 0.577 469 H N 0.280 119.090 119.070 -0.433 0.000 2.353 469 H HA -0.055 4.501 4.556 -0.000 0.000 0.298 469 H C 2.864 178.104 175.328 -0.146 0.000 1.103 469 H CA 1.536 57.454 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 0.254 120.745 120.500 -0.016 0.000 2.091 470 R HA -0.146 4.194 4.340 -0.000 0.000 0.238 470 R C 2.476 178.771 176.300 -0.009 0.000 1.136 470 R CA 1.150 57.247 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 0.395 121.586 121.223 -0.054 0.000 1.989 471 L HA -0.195 4.144 4.340 -0.000 0.000 0.211 471 L C 2.060 178.957 176.870 0.046 0.000 1.071 471 L CA 1.748 56.551 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 0.072 nan 8.230 nan 0.000 0.431 472 F N 0.917 120.770 119.950 -0.161 0.000 2.120 472 F HA -0.252 4.275 4.527 -0.000 0.000 0.300 472 F C 2.490 178.281 175.800 -0.014 0.000 1.095 472 F CA 2.040 59.986 58.000 -0.090 0.000 1.249 472 F CB -0.689 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 0.101 120.373 120.200 0.120 0.000 2.106 473 E HA -0.227 4.122 4.350 -0.000 0.000 0.192 473 E C 2.429 179.059 176.600 0.050 0.000 0.984 473 E CA 1.464 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 4.312 4.480 -0.000 0.000 0.261 474 M C 1.658 178.001 176.300 0.072 0.000 1.064 474 M CA 1.355 56.674 55.300 0.032 0.000 1.102 474 M CB -0.022 32.562 32.600 -0.027 0.000 1.369 474 M HN 0.216 nan 8.290 nan 0.000 0.408 475 L N -0.047 121.256 121.223 0.133 0.000 2.044 475 L HA -0.212 4.128 4.340 -0.000 0.000 0.205 475 L C 2.600 179.611 176.870 0.234 0.000 1.075 475 L CA 1.408 56.389 54.840 0.234 0.000 0.747 475 L CB -0.754 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 0.648 121.084 120.400 0.061 0.000 2.009 476 K HA -0.236 4.084 4.320 -0.000 0.000 0.210 476 K C 1.889 178.483 176.600 -0.011 0.000 1.049 476 K CA 1.834 58.019 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 -0.478 119.721 120.200 -0.002 0.000 2.265 477 E HA -0.081 4.268 4.350 -0.000 0.000 0.196 477 E C 0.712 177.350 176.600 0.063 0.000 0.996 477 E CA 0.484 56.894 56.400 0.015 0.000 0.832 477 E CB -0.225 29.480 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 3.628 3.960 -0.000 0.000 0.290 478 G HA3 -0.332 3.628 3.960 -0.000 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 4.647 4.320 -0.000 0.000 0.197 479 K C 0.531 177.157 176.600 0.043 0.000 1.087 479 K CA 0.039 56.353 56.287 0.045 0.000 1.012 479 K CB 1.208 33.729 32.500 0.035 0.000 0.925 479 K HN 0.260 nan 8.250 nan 0.000 0.547 480 V N 1.976 121.918 119.914 0.047 0.000 2.656 480 V HA 0.175 4.295 4.120 -0.000 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 1.780 33.633 31.823 0.049 0.000 0.999 480 V HN 0.159 nan 8.190 nan 0.000 0.426 481 N N 6.871 125.599 118.700 0.045 0.000 2.430 481 N HA 0.309 5.049 4.740 -0.000 0.000 0.265 481 N C -1.190 174.356 175.510 0.061 0.000 1.100 481 N CA -1.736 51.341 53.050 0.045 0.000 0.961 481 N CB 1.523 40.025 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 0.213 0.000 1.184 482 P CA 0.420 63.564 63.100 0.074 0.000 0.760 482 P CB 0.432 32.075 31.700 -0.095 0.000 0.884 483 S N 0.428 116.196 115.700 0.112 0.000 2.570 483 S HA 0.538 5.008 4.470 -0.000 0.000 0.286 483 S C -2.294 172.272 174.600 -0.056 0.000 1.099 483 S CA -1.750 56.487 58.200 0.062 0.000 0.913 483 S CB 1.942 65.210 63.200 0.112 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 63.154 63.100 -0.350 0.000 0.841 484 P CB 0.117 31.481 31.700 -0.560 0.000 1.232 485 Y N -0.726 119.646 120.300 0.120 0.000 2.396 485 Y HA 0.289 4.838 4.550 -0.000 0.000 0.292 485 Y C 1.632 177.548 175.900 0.027 0.000 1.128 485 Y CA 0.544 58.731 58.100 0.146 0.000 1.194 485 Y CB -0.102 38.496 38.460 0.230 0.000 1.124 485 Y HN -0.150 nan 8.280 nan 0.000 0.543 486 M N -0.486 119.186 119.600 0.120 0.000 2.667 486 M HA 0.292 4.771 4.480 -0.000 0.000 0.286 486 M C -0.891 175.347 176.300 -0.103 0.000 1.270 486 M CA -1.017 54.250 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 -0.236 0.000 2.273 487 K HA 0.454 4.774 4.320 -0.000 0.000 0.287 487 K C -0.673 175.923 176.600 -0.007 0.000 1.089 487 K CA -0.257 55.946 56.287 -0.139 0.000 0.909 487 K CB 0.396 32.764 32.500 -0.219 0.000 1.123 487 K HN 0.380 nan 8.250 nan 0.000 0.473 488 I N 1.654 122.257 120.570 0.056 0.000 2.676 488 I HA 0.308 4.478 4.170 -0.000 0.000 0.309 488 I C 0.762 176.950 176.117 0.120 0.000 0.990 488 I CA -0.340 61.036 61.300 0.127 0.000 1.168 488 I CB 1.373 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 2.894 118.681 115.700 0.144 0.000 2.655 489 S HA 0.544 5.014 4.470 -0.000 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 1.426 64.659 63.200 0.056 0.000 1.130 489 S HN 0.499 nan 8.310 nan 0.000 0.476 490 Y N 0.285 120.669 120.300 0.141 0.000 2.352 490 Y HA 0.731 5.281 4.550 -0.000 0.000 0.326 490 Y C 0.090 176.083 175.900 0.155 0.000 1.166 490 Y CA -0.945 57.239 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 3.212 123.453 120.200 0.069 0.000 2.217 491 E HA -0.036 4.313 4.350 -0.000 0.000 0.279 491 E C -0.690 175.965 176.600 0.092 0.000 1.068 491 E CA -0.381 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 4.542 123.555 119.070 -0.094 0.000 3.330 492 H HA 0.172 4.727 4.556 -0.000 0.000 0.260 492 H C -0.073 175.321 175.328 0.110 0.000 1.439 492 H CA 1.205 57.287 56.048 0.056 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 3.476 112.285 108.800 0.015 0.000 2.857 493 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.166 493 G HA3 -0.171 3.789 3.960 -0.000 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 -0.102 108.810 108.800 0.187 0.000 2.138 494 G HA2 0.607 4.567 3.960 -0.000 0.000 0.263 494 G HA3 0.607 4.567 3.960 -0.000 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 1.927 nan 8.290 nan 0.000 0.418 495 A N 2.415 125.352 122.820 0.196 0.000 2.587 495 A HA 0.786 5.106 4.320 -0.000 0.000 0.293 495 A C -1.597 176.139 177.584 0.255 0.000 1.087 495 A CA -0.706 51.464 52.037 0.220 0.000 0.692 495 A CB 1.811 20.891 19.000 0.133 0.000 1.291 495 A HN 1.122 nan 8.150 nan 0.000 0.407 496 F N 1.856 121.815 119.950 0.015 0.000 2.539 496 F HA 0.581 5.108 4.527 -0.000 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 5.926 126.642 121.223 -0.845 0.000 3.742 497 L HA -0.143 4.197 4.340 -0.000 0.000 0.431 497 L C 1.108 177.704 176.870 -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 39.836 42.059 -1.169 0.000 1.751 497 L HN 1.309 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 3.734 3.960 -0.000 0.000 0.246 498 G HA3 -0.226 3.734 3.960 -0.000 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 0.344 120.640 120.400 -0.172 0.000 2.256 499 D HA 0.578 5.218 4.640 -0.000 0.000 0.246 499 D C 0.382 176.737 176.300 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 1.664 122.334 120.570 0.166 0.000 2.472 500 I HA 0.069 4.238 4.170 -0.000 0.000 0.290 500 I C -0.091 176.183 176.117 0.261 0.000 1.016 500 I CA -0.802 60.616 61.300 0.198 0.000 1.348 500 I CB 1.278 39.344 38.000 0.110 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 4.631 4.340 -0.000 0.000 0.289 501 L C -0.667 176.027 176.870 -0.293 0.000 1.064 501 L CA -0.337 54.331 54.840 -0.286 0.000 0.824 501 L CB 0.702 42.496 42.059 -0.441 0.000 1.202 501 L HN 0.351 nan 8.230 nan 0.000 0.433 502 L N 6.726 127.783 121.223 -0.277 0.000 2.268 502 L HA 0.375 4.715 4.340 -0.000 0.000 0.289 502 L C -0.920 175.845 176.870 -0.174 0.000 1.064 502 L CA 0.023 54.786 54.840 -0.129 0.000 0.824 502 L CB 0.052 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 2.678 123.011 120.300 0.055 0.000 2.301 503 Y HA 0.346 4.896 4.550 -0.000 0.000 0.325 503 Y C 0.637 176.595 175.900 0.096 0.000 1.203 503 Y CA -0.497 57.638 58.100 0.059 0.000 1.255 503 Y CB 0.816 39.327 38.460 0.085 0.000 1.232 503 Y HN 0.709 nan 8.280 nan 0.000 0.501 504 D N -1.405 119.129 120.400 0.223 0.000 2.560 504 D HA 0.153 4.792 4.640 -0.000 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 -0.277 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 -0.976 114.757 115.700 0.056 0.000 2.400 505 S HA -0.213 4.257 4.470 -0.000 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 -0.457 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 1.113 121.628 120.500 0.025 0.000 2.091 506 R HA 0.057 4.397 4.340 -0.000 0.000 0.238 506 R C 0.254 176.558 176.300 0.007 0.000 1.136 506 R CA 0.763 56.876 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 1.048 121.575 120.500 0.045 0.000 3.184 507 R HA -0.122 4.218 4.340 -0.000 0.000 0.257 507 R C -1.003 175.288 176.300 -0.016 0.000 0.999 507 R CA 0.592 56.661 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 -0.650 119.690 120.200 0.233 0.000 2.308 508 E HA 0.262 4.611 4.350 -0.000 0.000 0.275 508 E C -2.094 174.697 176.600 0.319 0.000 0.890 508 E CA -2.215 54.328 56.400 0.238 0.000 0.754 508 E CB 1.941 31.723 29.700 0.137 0.000 1.207 508 E HN -0.257 nan 8.360 nan 0.000 0.426 509 P HA -0.223 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 1.552 64.738 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 -0.895 107.939 108.800 0.056 0.000 2.430 510 G HA2 -0.148 3.812 3.960 -0.000 0.000 0.216 510 G HA3 -0.148 3.812 3.960 -0.000 0.000 0.216 510 G C 1.391 176.287 174.900 -0.006 0.000 1.146 510 G CA 0.860 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 5.140 4.470 -0.000 0.000 0.219 511 S C 0.927 175.516 174.600 -0.018 0.000 0.962 511 S CA 0.312 58.521 58.200 0.015 0.000 0.921 511 S CB 0.321 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 1.803 124.568 122.820 -0.092 0.000 2.264 512 A HA 0.849 5.168 4.320 -0.000 0.000 0.304 512 A C -0.016 177.390 177.584 -0.298 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 -3.615 116.760 120.570 -0.325 0.000 3.074 513 I HA 0.642 4.812 4.170 -0.000 0.000 0.310 513 I C -1.372 174.573 176.117 -0.287 0.000 1.153 513 I CA -0.889 60.256 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 3.709 123.589 119.950 -0.117 0.000 2.334 514 F HA 0.541 5.067 4.527 -0.000 0.000 0.367 514 F C 0.253 176.009 175.800 -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 1.400 121.408 119.914 0.157 0.000 2.850 515 V HA 0.851 4.971 4.120 -0.000 0.000 0.315 515 V C 0.387 176.523 176.094 0.069 0.000 1.064 515 V CA -0.830 61.518 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 1.078 109.897 108.800 0.032 0.000 2.527 516 G HA2 0.183 4.143 3.960 -0.000 0.000 0.248 516 G HA3 0.183 4.143 3.960 -0.000 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 1.022 119.810 118.700 0.147 0.000 2.405 517 N HA 0.005 4.745 4.740 -0.000 0.000 0.260 517 N C 1.264 176.940 175.510 0.277 0.000 1.152 517 N CA -0.603 52.546 53.050 0.165 0.000 0.948 517 N CB 0.988 39.541 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 2.286 518 I HA -0.202 3.967 4.170 -0.000 0.000 0.248 518 I C 1.703 177.894 176.117 0.123 0.000 1.115 518 I CA 1.137 62.552 61.300 0.191 0.000 1.392 518 I CB -0.428 37.667 38.000 0.159 0.000 1.065 518 I HN 0.613 nan 8.210 nan 0.000 0.418 519 N N -0.152 118.621 118.700 0.121 0.000 2.104 519 N HA -0.182 4.558 4.740 -0.000 0.000 0.190 519 N C 1.909 177.470 175.510 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 4.292 4.470 -0.000 0.000 0.235 520 S C 1.857 176.500 174.600 0.072 0.000 1.019 520 S CA 0.952 59.237 58.200 0.140 0.000 0.982 520 S CB -0.252 63.086 63.200 0.231 0.000 0.789 520 S HN 0.423 nan 8.310 nan 0.000 0.490 521 M N 1.386 120.871 119.600 -0.191 0.000 2.077 521 M HA -0.057 4.423 4.480 -0.000 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 -0.684 0.000 1.125 521 M CB -0.333 31.520 32.600 -1.245 0.000 1.339 521 M HN 0.260 nan 8.290 nan 0.000 0.409 522 L N 0.635 121.801 121.223 -0.095 0.000 2.013 522 L HA -0.316 4.024 4.340 -0.000 0.000 0.212 522 L C 2.227 179.148 176.870 0.085 0.000 1.073 522 L CA 1.415 56.292 54.840 0.063 0.000 0.753 522 L CB -1.369 40.828 42.059 0.230 0.000 0.890 522 L HN 0.417 nan 8.230 nan 0.000 0.432 523 N N 0.407 119.165 118.700 0.095 0.000 2.043 523 N HA -0.188 4.552 4.740 -0.000 0.000 0.193 523 N C 1.545 177.109 175.510 0.090 0.000 1.037 523 N CA 1.618 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 0.850 119.588 118.700 0.062 0.000 2.036 524 N HA -0.172 4.568 4.740 -0.000 0.000 0.195 524 N C 1.689 177.226 175.510 0.045 0.000 1.037 524 N CA 1.082 54.178 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 -0.539 119.205 119.800 -0.093 0.000 2.123 525 Q HA -0.035 4.304 4.340 -0.000 0.000 0.199 525 Q C 0.865 176.759 176.000 -0.177 0.000 0.966 525 Q CA 1.080 56.745 55.803 -0.229 0.000 0.845 525 Q CB 0.146 28.483 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 4.785 4.527 -0.000 0.000 0.313 526 F C 0.710 176.786 175.800 0.460 0.000 1.096 526 F CA -0.356 57.996 58.000 0.586 0.000 1.219 526 F CB 1.213 40.549 39.000 0.559 0.000 1.051 526 F HN -0.287 nan 8.300 nan 0.000 0.568 527 S N 1.336 117.264 115.700 0.381 0.000 2.526 527 S HA 0.211 4.680 4.470 -0.000 0.000 0.220 527 S C -2.426 172.266 174.600 0.154 0.000 1.159 527 S CA -0.996 57.373 58.200 0.283 0.000 1.196 527 S CB 0.174 63.524 63.200 0.251 0.000 1.225 527 S HN -0.112 nan 8.310 nan 0.000 0.432 528 P HA 0.019 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 0.110 63.237 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 -0.098 120.085 120.200 -0.028 0.000 2.318 529 E HA -0.029 4.321 4.350 -0.000 0.000 0.193 529 E C -0.321 176.026 176.600 -0.422 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 -0.252 0.000 0.812 529 E HN 0.451 nan 8.360 nan 0.000 0.492 530 Y N -1.407 118.882 120.300 -0.018 0.000 2.581 530 Y HA 0.533 5.083 4.550 -0.000 0.000 0.345 530 Y C 0.719 176.584 175.900 -0.059 0.000 1.036 530 Y CA -0.909 57.168 58.100 -0.037 0.000 1.042 530 Y CB 1.669 40.108 38.460 -0.035 0.000 1.289 530 Y HN -0.082 nan 8.280 nan 0.000 0.471 531 G N -0.032 108.835 108.800 0.112 0.000 2.553 531 G HA2 0.348 4.308 3.960 -0.000 0.000 0.278 531 G HA3 0.348 4.308 3.960 -0.000 0.000 0.278 531 G C 0.690 175.589 174.900 -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 4.254 4.120 -0.000 0.000 0.270 532 V C 0.895 176.957 176.094 -0.054 0.000 1.221 532 V CA 0.975 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 4.099 4.340 -0.000 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 -1.868 26.826 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 4.353 4.470 -0.000 0.000 0.239 534 S C 1.755 176.342 174.600 -0.023 0.000 0.989 534 S CA 0.655 58.839 58.200 -0.027 0.000 0.951 534 S CB 0.053 63.247 63.200 -0.010 0.000 0.759 534 S HN 0.699 nan 8.310 nan 0.000 0.523 535 G N 0.906 109.692 108.800 -0.024 0.000 2.572 535 G HA2 0.156 4.116 3.960 -0.000 0.000 0.216 535 G HA3 0.156 4.116 3.960 -0.000 0.000 0.216 535 G C 0.317 175.203 174.900 -0.022 0.000 1.133 535 G CA -0.012 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 2.207 122.100 119.914 -0.034 0.000 2.368 536 V HA 0.217 4.337 4.120 -0.000 0.000 0.266 536 V C 1.192 177.271 176.094 -0.025 0.000 1.045 536 V CA -0.823 61.455 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 4.283 4.340 -0.000 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 -0.284 30.029 30.300 0.021 0.000 0.861 537 R HN 0.681 nan 8.270 nan 0.000 0.440 538 D N 1.077 121.510 120.400 0.055 0.000 2.422 538 D HA 0.075 4.714 4.640 -0.000 0.000 0.227 538 D C 0.642 176.951 176.300 0.014 0.000 1.190 538 D CA -0.081 53.993 54.000 0.123 0.000 0.905 538 D CB 0.406 41.256 40.800 0.083 0.000 1.034 538 D HN -0.018 nan 8.370 nan 0.000 0.507 539 R N 1.121 121.577 120.500 -0.074 0.000 2.200 539 R HA -0.132 4.208 4.340 -0.000 0.000 0.234 539 R C 2.092 178.110 176.300 -0.470 0.000 1.127 539 R CA 1.288 57.114 56.100 -0.456 0.000 0.989 539 R CB -0.088 29.654 30.300 -0.930 0.000 0.869 539 R HN 0.390 nan 8.270 nan 0.000 0.459 540 S N 0.820 116.366 115.700 -0.256 0.000 2.447 540 S HA -0.081 4.389 4.470 -0.000 0.000 0.233 540 S C 1.609 176.148 174.600 -0.101 0.000 1.006 540 S CA 0.779 58.904 58.200 -0.125 0.000 0.957 540 S CB 0.073 63.323 63.200 0.083 0.000 0.773 540 S HN 0.268 nan 8.310 nan 0.000 0.507 541 K N 0.539 120.884 120.400 -0.091 0.000 2.400 541 K HA 0.194 4.513 4.320 -0.000 0.000 0.194 541 K C 0.640 177.157 176.600 -0.139 0.000 1.033 541 K CA -0.036 56.195 56.287 -0.092 0.000 1.021 541 K CB 0.179 32.642 32.500 -0.061 0.000 0.808 541 K HN 0.379 nan 8.250 nan 0.000 0.505 542 R N 1.014 121.406 120.500 -0.181 0.000 2.679 542 R HA 0.095 4.435 4.340 -0.000 0.000 0.269 542 R C 1.139 177.303 176.300 -0.227 0.000 1.076 542 R CA -0.297 55.680 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 1.634 121.866 120.400 -0.279 0.000 2.155 543 K HA -0.071 4.248 4.320 -0.000 0.000 0.203 543 K C 0.390 176.895 176.600 -0.160 0.000 1.052 543 K CA 1.341 57.433 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 0.478 120.894 120.500 -0.140 0.000 2.494 544 R HA 0.176 4.516 4.340 -0.000 0.000 0.284 544 R C -2.172 174.008 176.300 -0.199 0.000 1.525 544 R CA -1.436 54.608 56.100 -0.094 0.000 1.460 544 R CB 1.109 31.390 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 -0.582 0.000 0.791 546 F N -3.912 115.985 119.950 -0.088 0.000 2.660 546 F HA 0.353 4.880 4.527 -0.000 0.000 0.352 546 F C -1.900 173.892 175.800 -0.013 0.000 1.257 546 F CA -2.103 55.857 58.000 -0.066 0.000 1.200 546 F CB 0.982 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 2.100 65.291 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 -0.306 108.528 108.800 0.057 0.000 2.485 548 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.221 548 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.221 548 G C 1.438 176.367 174.900 0.050 0.000 1.115 548 G CA 0.567 45.644 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 -0.112 4.228 4.340 -0.000 0.000 0.211 549 L C 3.268 180.209 176.870 0.118 0.000 1.089 549 L CA 0.947 55.839 54.840 0.086 0.000 0.757 549 L CB -0.476 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 -0.845 122.067 122.820 0.154 0.000 2.172 550 A HA -0.233 4.086 4.320 -0.000 0.000 0.216 550 A C 2.121 179.834 177.584 0.216 0.000 1.154 550 A CA 0.700 52.844 52.037 0.178 0.000 0.701 550 A CB -0.772 18.349 19.000 0.203 0.000 0.789 550 A HN 0.682 nan 8.150 nan 0.000 0.465 551 W N 0.505 121.800 121.300 -0.009 0.000 2.381 551 W HA -0.151 4.509 4.660 -0.000 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 29.215 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 4.036 4.320 -0.000 0.000 0.219 552 A C 1.975 179.535 177.584 -0.041 0.000 1.182 552 A CA 2.857 54.900 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 -1.192 114.505 115.700 -0.004 0.000 2.496 553 S HA 0.000 4.470 4.470 -0.000 0.000 0.224 553 S C 1.839 176.444 174.600 0.009 0.000 0.996 553 S CA 0.961 59.154 58.200 -0.011 0.000 0.927 553 S CB -0.523 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 1.827 121.439 119.600 0.021 0.000 2.204 554 M HA -0.319 4.161 4.480 -0.000 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 32.229 32.600 -0.152 0.000 1.289 554 M HN 0.303 nan 8.290 nan 0.000 0.419 555 K N 0.732 121.131 120.400 -0.003 0.000 2.044 555 K HA -0.242 4.078 4.320 -0.000 0.000 0.210 555 K C 1.765 178.271 176.600 -0.155 0.000 1.049 555 K CA 2.409 58.638 56.287 -0.097 0.000 0.927 555 K CB -0.866 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 4.501 4.640 -0.000 0.000 0.195 556 D C 1.285 177.505 176.300 -0.133 0.000 0.989 556 D CA 1.724 55.656 54.000 -0.114 0.000 0.827 556 D CB 0.090 40.833 40.800 -0.094 0.000 0.966 556 D HN 0.297 nan 8.370 nan 0.000 0.456 557 T N -0.771 113.699 114.554 -0.140 0.000 2.701 557 T HA -0.143 4.207 4.350 -0.000 0.000 0.263 557 T C 1.379 175.805 174.700 -0.458 0.000 1.040 557 T CA 1.270 63.168 62.100 -0.336 0.000 1.147 557 T CB -0.318 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 0.240 120.555 120.300 0.025 0.000 2.444 558 Y HA 0.426 4.975 4.550 -0.000 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 0.204 nan 8.280 nan 0.000 0.523 559 G N 0.910 109.512 108.800 -0.331 0.000 2.503 559 G HA2 -0.332 3.628 3.960 -0.000 0.000 0.221 559 G HA3 -0.332 3.628 3.960 -0.000 0.000 0.221 559 G C 1.832 176.485 174.900 -0.412 0.000 1.131 559 G CA 1.136 45.713 45.100 -0.871 0.000 0.756 559 G HN 0.455 nan 8.290 nan 0.000 0.572 560 A N -0.847 121.862 122.820 -0.186 0.000 2.216 560 A HA 0.136 4.456 4.320 -0.000 0.000 0.214 560 A C 1.513 179.090 177.584 -0.012 0.000 1.160 560 A CA 0.557 52.544 52.037 -0.083 0.000 0.725 560 A CB -0.777 18.192 19.000 -0.052 0.000 0.784 560 A HN 0.445 nan 8.150 nan 0.000 0.472 561 C N 0.241 119.562 119.300 0.035 0.000 2.642 561 C HA 0.284 4.744 4.460 -0.000 0.000 0.420 561 C C -0.526 174.526 174.990 0.104 0.000 1.349 561 C CA -1.115 57.970 59.018 0.112 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 0.848 178.203 177.300 0.091 0.000 1.153 562 P CA 1.725 64.875 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 -6.114 114.483 120.570 0.045 0.000 3.855 563 I HA 0.161 4.330 4.170 -0.000 0.000 0.327 563 I C 1.835 177.941 176.117 -0.019 0.000 1.359 563 I CA -0.376 60.887 61.300 -0.062 0.000 1.142 563 I CB -0.797 36.944 38.000 -0.433 0.000 1.041 563 I HN -0.159 nan 8.210 nan 0.000 0.403 564 Y N 2.392 122.670 120.300 -0.036 0.000 1.940 564 Y HA -0.422 4.128 4.550 -0.000 0.000 0.250 564 Y C 2.769 178.663 175.900 -0.009 0.000 1.132 564 Y CA 2.732 60.825 58.100 -0.012 0.000 1.079 564 Y CB -0.530 37.941 38.460 0.020 0.000 0.940 564 Y HN 0.283 nan 8.280 nan 0.000 0.490 565 S N 0.480 116.339 115.700 0.264 0.000 2.406 565 S HA -0.374 4.096 4.470 -0.000 0.000 0.242 565 S C 1.397 176.014 174.600 0.030 0.000 1.079 565 S CA 2.053 60.332 58.200 0.131 0.000 1.133 565 S CB -0.949 62.354 63.200 0.172 0.000 1.005 565 S HN 0.655 nan 8.310 nan 0.000 0.443 566 D N 0.573 121.003 120.400 0.051 0.000 2.116 566 D HA -0.090 4.549 4.640 -0.000 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 -0.538 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 3.903 4.120 -0.000 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 4.099 4.340 -0.000 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 -0.094 120.128 120.200 0.037 0.000 2.047 569 E HA -0.189 4.161 4.350 -0.000 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 -0.151 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 1.400 124.224 122.820 0.007 0.000 1.917 570 A HA -0.239 4.081 4.320 -0.000 0.000 0.219 570 A C 2.160 179.735 177.584 -0.015 0.000 1.182 570 A CA 1.394 53.370 52.037 -0.101 0.000 0.633 570 A CB -0.757 18.206 19.000 -0.062 0.000 0.819 570 A HN 0.157 nan 8.150 nan 0.000 0.448 571 I N -1.134 119.482 120.570 0.077 0.000 2.072 571 I HA -0.281 3.889 4.170 -0.000 0.000 0.235 571 I C 2.557 178.840 176.117 0.276 0.000 1.058 571 I CA 1.925 63.346 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 1.105 121.448 120.200 0.237 0.000 2.136 572 E HA -0.323 4.027 4.350 -0.000 0.000 0.202 572 E C 2.203 179.045 176.600 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 0.222 nan 8.360 nan 0.000 0.458 573 R N -0.648 120.012 120.500 0.268 0.000 2.070 573 R HA -0.117 4.223 4.340 -0.000 0.000 0.232 573 R C 2.392 178.867 176.300 0.290 0.000 1.138 573 R CA 1.855 58.090 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 -0.083 119.363 119.300 0.245 0.000 2.410 574 C HA -0.116 4.344 4.460 -0.000 0.000 0.281 574 C C 2.297 177.609 174.990 0.536 0.000 1.318 574 C CA 0.138 59.339 59.018 0.306 0.000 1.776 574 C CB -1.362 26.491 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 4.606 4.660 -0.000 0.000 0.289 575 W C 2.177 178.783 176.519 0.145 0.000 1.215 575 W CA 0.725 58.114 57.345 0.073 0.000 1.297 575 W CB -0.631 28.711 29.460 -0.196 0.000 1.113 575 W HN 0.452 nan 8.180 nan 0.000 0.551 576 W N 1.564 123.054 121.300 0.316 0.000 2.355 576 W HA -0.228 4.432 4.660 -0.000 0.000 0.309 576 W C 2.280 178.856 176.519 0.095 0.000 1.206 576 W CA 1.811 59.272 57.345 0.194 0.000 1.284 576 W CB -0.785 28.763 29.460 0.147 0.000 1.145 576 W HN -0.223 nan 8.180 nan 0.000 0.502 577 N N -0.110 118.792 118.700 0.338 0.000 2.149 577 N HA -0.170 4.570 4.740 -0.000 0.000 0.188 577 N C 1.531 177.058 175.510 0.027 0.000 1.019 577 N CA 1.959 55.115 53.050 0.176 0.000 0.857 577 N CB -0.964 37.598 38.487 0.124 0.000 0.997 577 N HN 0.198 nan 8.380 nan 0.000 0.426 578 A N -1.062 121.735 122.820 -0.037 0.000 1.997 578 A HA 0.199 4.518 4.320 -0.000 0.000 0.212 578 A C 1.192 178.388 177.584 -0.646 0.000 1.178 578 A CA 0.470 52.314 52.037 -0.322 0.000 0.698 578 A CB -0.047 18.758 19.000 -0.324 0.000 0.842 578 A HN 0.193 nan 8.150 nan 0.000 0.458 579 F N -1.341 118.307 119.950 -0.504 0.000 2.767 579 F HA 0.374 4.901 4.527 -0.001 0.000 0.323 579 F C 1.619 177.146 175.800 -0.455 0.000 1.091 579 F CA 0.132 57.817 58.000 -0.525 0.000 1.192 579 F CB 0.358 38.901 39.000 -0.763 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 3.723 3.960 -0.000 0.000 0.280 580 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.280 580 G C -0.118 174.118 174.900 -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 -1.051 118.456 120.200 -1.155 0.000 2.433 581 E HA 0.494 4.844 4.350 -0.000 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 -0.766 0.000 0.793 581 E CB 1.587 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 0.782 116.367 115.700 -0.190 0.000 2.439 582 S HA 0.091 4.561 4.470 -0.000 0.000 0.282 582 S C 0.572 175.133 174.600 -0.066 0.000 1.170 582 S CA -0.354 57.902 58.200 0.093 0.000 1.054 582 S CB 0.035 63.366 63.200 0.218 0.000 0.956 582 S HN 0.670 nan 8.310 nan 0.000 0.490 583 Y N 5.652 125.770 120.300 -0.304 0.000 2.181 583 Y HA -0.148 4.402 4.550 -0.000 0.000 0.288 583 Y C 2.435 178.028 175.900 -0.512 0.000 1.146 583 Y CA 2.094 59.712 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 0.406 120.770 120.500 -0.228 0.000 2.096 584 R HA -0.232 4.108 4.340 -0.000 0.000 0.240 584 R C 2.376 178.425 176.300 -0.418 0.000 1.139 584 R CA 1.612 57.565 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 0.133 122.814 122.820 -0.231 0.000 1.883 585 A HA -0.240 4.080 4.320 -0.000 0.000 0.217 585 A C 2.047 179.442 177.584 -0.315 0.000 1.186 585 A CA 1.515 53.435 52.037 -0.193 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 1.061 121.029 120.300 -0.553 0.000 2.081 586 Y HA -0.271 4.279 4.550 -0.000 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 0.712 120.414 120.500 -1.329 0.000 2.115 587 R HA -0.107 4.232 4.340 -0.000 0.000 0.230 587 R C 2.096 177.726 176.300 -1.117 0.000 1.111 587 R CA 1.515 56.655 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 0.632 120.341 120.200 -0.818 0.000 2.150 588 E HA -0.138 4.212 4.350 -0.000 0.000 0.193 588 E C 1.244 177.664 176.600 -0.300 0.000 0.985 588 E CA 0.959 57.124 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 0.597 120.793 120.400 -0.341 0.000 2.084 589 D HA -0.154 4.485 4.640 -0.000 0.000 0.196 589 D C 1.904 178.045 176.300 -0.265 0.000 0.985 589 D CA 0.895 54.749 54.000 -0.243 0.000 0.826 589 D CB -0.230 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 4.311 4.480 -0.000 0.000 0.260 590 M C 2.186 178.347 176.300 -0.231 0.000 1.067 590 M CA 1.048 56.122 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 0.103 121.182 121.223 -0.241 0.000 1.989 591 L HA -0.310 4.030 4.340 -0.000 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 -0.640 119.710 120.400 -0.083 0.000 2.009 592 K HA -0.244 4.076 4.320 -0.000 0.000 0.210 592 K C 2.171 178.744 176.600 -0.044 0.000 1.049 592 K CA 1.647 57.901 56.287 -0.056 0.000 0.929 592 K CB -0.178 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 4.183 4.340 -0.000 0.000 0.236 593 R C 2.044 178.351 176.300 0.012 0.000 1.137 593 R CA 2.025 58.111 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 -0.751 119.658 120.400 0.015 0.000 2.117 594 D HA -0.117 4.523 4.640 -0.000 0.000 0.197 594 D C 1.815 178.111 176.300 -0.006 0.000 0.987 594 D CA 1.579 55.629 54.000 0.083 0.000 0.829 594 D CB -0.389 40.478 40.800 0.112 0.000 0.961 594 D HN 0.200 nan 8.370 nan 0.000 0.460 595 T N 0.916 115.442 114.554 -0.047 0.000 2.737 595 T HA -0.122 4.228 4.350 -0.000 0.000 0.269 595 T C 2.133 176.787 174.700 -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 0.304 121.510 121.223 -0.029 0.000 2.072 596 L HA -0.019 4.321 4.340 -0.000 0.000 0.205 596 L C 2.798 179.687 176.870 0.031 0.000 1.079 596 L CA 1.121 55.958 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 0.598 120.845 120.200 0.077 0.000 2.110 597 E HA -0.233 4.116 4.350 -0.000 0.000 0.193 597 E C 1.971 178.705 176.600 0.225 0.000 0.988 597 E CA 0.960 57.484 56.400 0.206 0.000 0.804 597 E CB -0.207 29.673 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 4.114 4.340 -0.000 0.000 0.213 598 L C 2.244 179.070 176.870 -0.074 0.000 1.072 598 L CA 2.601 57.175 54.840 -0.443 0.000 0.755 598 L CB -1.254 40.393 42.059 -0.686 0.000 0.889 598 L HN 0.285 nan 8.230 nan 0.000 0.432 599 S N -0.704 114.964 115.700 -0.053 0.000 2.441 599 S HA -0.322 4.147 4.470 -0.000 0.000 0.242 599 S C 2.145 176.764 174.600 0.031 0.000 1.018 599 S CA 1.412 59.603 58.200 -0.015 0.000 0.988 599 S CB -0.931 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 -0.127 120.427 120.500 0.090 0.000 2.148 600 R HA -0.043 4.297 4.340 -0.000 0.000 0.227 600 R C 1.079 177.325 176.300 -0.090 0.000 1.103 600 R CA 1.244 57.345 56.100 0.001 0.000 0.983 600 R CB -0.190 30.105 30.300 -0.008 0.000 0.874 600 R HN 0.588 nan 8.270 nan 0.000 0.451 601 Y N -0.967 119.346 120.300 0.022 0.000 2.458 601 Y HA 0.218 4.768 4.550 -0.000 0.000 0.254 601 Y C 0.098 175.999 175.900 0.002 0.000 1.120 601 Y CA -0.262 57.865 58.100 0.044 0.000 1.282 601 Y CB 1.000 39.544 38.460 0.140 0.000 1.109 601 Y HN -0.228 nan 8.280 nan 0.000 0.526 602 V N 0.764 120.738 119.914 0.100 0.000 2.311 602 V HA 0.399 4.519 4.120 -0.000 0.000 0.275 602 V C 1.040 177.139 176.094 0.009 0.000 1.022 602 V CA -0.376 61.944 62.300 0.034 0.000 0.830 602 V CB 0.626 32.441 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 4.140 4.320 -0.000 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 -0.494 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 -1.168 114.524 115.700 -0.013 0.000 2.515 604 S HA 0.181 4.650 4.470 -0.000 0.000 0.231 604 S C 0.826 175.411 174.600 -0.024 0.000 0.987 604 S CA 0.220 58.409 58.200 -0.019 0.000 0.936 604 S CB -0.389 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 4.941 4.480 -0.000 0.000 0.358 605 M C 0.483 176.767 176.300 -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 33.700 32.600 -0.042 0.000 1.594 605 M HN 0.281 nan 8.290 nan 0.000 0.467 606 A N 3.384 126.189 122.820 -0.026 0.000 2.466 606 A HA 0.116 4.436 4.320 -0.000 0.000 0.238 606 A C 0.442 178.013 177.584 -0.021 0.000 1.074 606 A CA -0.140 51.884 52.037 -0.022 0.000 0.774 606 A CB 0.133 19.121 19.000 -0.021 0.000 1.015 606 A HN 0.906 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 0.033 4.373 4.340 -0.000 0.000 0.203 607 R C -0.041 176.250 176.300 -0.015 0.000 2.173 607 R CA 0.742 56.833 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 -1.668 118.121 119.800 -0.019 0.000 1.338 608 Q HA 0.024 4.364 4.340 -0.000 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 -0.052 28.677 28.738 -0.015 0.000 1.106 608 Q HN 0.448 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 4.971 4.320 -0.000 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 0.432 109.212 108.800 -0.034 0.000 2.597 610 G HA2 0.236 4.195 3.960 -0.000 0.000 0.283 610 G HA3 0.236 4.195 3.960 -0.000 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 0.955 122.149 121.223 -0.048 0.000 2.612 611 L HA 0.142 4.482 4.340 -0.000 0.000 0.230 611 L C 2.883 179.721 176.870 -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 0.747 123.540 122.820 -0.045 0.000 1.883 612 A HA -0.279 4.041 4.320 -0.000 0.000 0.222 612 A C 1.973 179.528 177.584 -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 -0.259 119.911 120.200 -0.050 0.000 2.505 613 E HA 0.130 4.479 4.350 -0.000 0.000 0.197 613 E C -0.296 176.266 176.600 -0.064 0.000 1.111 613 E CA 0.165 56.533 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 4.581 4.340 -0.000 0.000 0.279 614 L C 0.848 177.662 176.870 -0.094 0.000 1.014 614 L CA -0.784 54.006 54.840 -0.084 0.000 0.814 614 L CB 1.643 43.650 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 4.598 4.350 -0.000 0.000 0.287 615 T C -1.952 172.655 174.700 -0.154 0.000 1.007 615 T CA -1.444 60.572 62.100 -0.140 0.000 1.005 615 T CB 1.298 70.057 68.868 -0.182 0.000 1.012 615 T HN 0.329 nan 8.240 nan 0.000 0.530 616 P HA 0.060 nan 4.420 nan 0.000 0.217 616 P C 1.671 178.840 177.300 -0.219 0.000 1.150 616 P CA 0.787 63.798 63.100 -0.147 0.000 0.832 616 P CB -0.097 31.523 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 3.903 4.170 -0.000 0.000 0.243 617 I C 1.892 177.750 176.117 -0.431 0.000 1.085 617 I CA 1.602 62.466 61.300 -0.726 0.000 1.347 617 I CB -0.847 36.538 38.000 -1.025 0.000 1.044 617 I HN -0.037 nan 8.210 nan 0.000 0.408 618 D N 1.016 121.244 120.400 -0.286 0.000 2.133 618 D HA -0.195 4.444 4.640 -0.000 0.000 0.192 618 D C 2.326 178.565 176.300 -0.102 0.000 1.001 618 D CA 1.474 55.374 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 4.202 4.340 -0.000 0.000 0.207 619 L C 2.488 179.377 176.870 0.031 0.000 1.072 619 L CA 0.989 55.813 54.840 -0.026 0.000 0.744 619 L CB -0.494 41.554 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 -0.192 4.158 4.350 -0.000 0.000 0.196 620 E C 2.325 179.027 176.600 0.170 0.000 0.998 620 E CA 1.221 57.712 56.400 0.153 0.000 0.806 620 E CB -0.335 29.532 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 3.925 4.120 -0.000 0.000 0.245 621 V C 2.487 178.627 176.094 0.077 0.000 1.044 621 V CA 1.121 63.483 62.300 0.103 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 -0.008 121.259 121.223 0.075 0.000 2.141 622 L HA -0.107 4.233 4.340 -0.000 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 0.136 0.000 2.016 623 A HA -0.114 4.206 4.320 -0.000 0.000 0.217 623 A C 0.594 178.238 177.584 0.101 0.000 1.162 623 A CA 1.089 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 4.961 4.640 -0.000 0.000 0.239 624 D C -2.572 173.768 176.300 0.066 0.000 1.307 624 D CA -1.491 52.564 54.000 0.092 0.000 0.930 624 D CB 1.098 41.974 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 0.496 63.602 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 -0.249 118.474 118.700 0.038 0.000 2.309 626 N HA -0.100 4.640 4.740 -0.000 0.000 0.182 626 N C 1.299 176.737 175.510 -0.120 0.000 1.018 626 N CA 0.899 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 0.258 120.489 120.400 -0.281 0.000 2.442 627 K HA -0.097 4.223 4.320 -0.000 0.000 0.198 627 K C 1.445 177.748 176.600 -0.495 0.000 1.044 627 K CA 0.318 56.127 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 0.713 121.845 121.223 -0.151 0.000 2.418 628 L HA -0.048 4.292 4.340 -0.000 0.000 0.218 628 L C 1.239 178.103 176.870 -0.012 0.000 1.125 628 L CA 1.587 56.426 54.840 -0.002 0.000 0.835 628 L CB 0.075 42.165 42.059 0.051 0.000 0.953 628 L HN 0.032 nan 8.230 nan 0.000 0.454 629 Q N -2.132 117.644 119.800 -0.040 0.000 2.204 629 Q HA 0.073 4.412 4.340 -0.000 0.000 0.209 629 Q C -0.185 175.889 176.000 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 -4.790 115.489 120.300 -0.036 0.000 2.786 630 Y HA 0.356 4.906 4.550 -0.000 0.000 0.307 630 Y C 0.722 176.500 175.900 -0.202 0.000 0.927 630 Y CA -0.402 57.642 58.100 -0.093 0.000 1.089 630 Y CB -0.024 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 -0.846 119.277 120.400 -0.462 0.000 2.493 631 K HA 0.226 4.546 4.320 -0.000 0.000 0.201 631 K C -0.416 175.796 176.600 -0.647 0.000 1.355 631 K CA 0.161 56.043 56.287 -0.675 0.000 0.953 631 K CB 0.975 32.723 32.500 -1.254 0.000 1.316 631 K HN 0.125 nan 8.250 nan 0.000 0.522 632 W N 0.436 121.602 121.300 -0.222 0.000 3.017 632 W HA 0.404 5.064 4.660 -0.000 0.000 0.341 632 W C -0.228 176.225 176.519 -0.110 0.000 1.180 632 W CA -0.619 56.616 57.345 -0.183 0.000 1.097 632 W CB 0.748 30.110 29.460 -0.163 0.000 1.468 632 W HN -0.157 nan 8.180 nan 0.000 0.584 633 T N -1.243 113.421 114.554 0.184 0.000 2.906 633 T HA 0.158 4.508 4.350 -0.000 0.000 0.295 633 T C 0.808 175.581 174.700 0.122 0.000 1.075 633 T CA -0.306 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 4.061 4.350 -0.000 0.000 0.210 634 E C 1.876 178.397 176.600 -0.130 0.000 1.046 634 E CA 2.159 58.508 56.400 -0.085 0.000 0.844 634 E CB -0.502 28.998 29.700 -0.334 0.000 0.741 634 E HN 0.744 nan 8.360 nan 0.000 0.465 635 A N 0.965 123.756 122.820 -0.047 0.000 1.969 635 A HA -0.164 4.156 4.320 -0.000 0.000 0.218 635 A C 1.660 179.218 177.584 -0.044 0.000 1.169 635 A CA 1.557 53.562 52.037 -0.053 0.000 0.635 635 A CB -0.227 18.755 19.000 -0.029 0.000 0.810 635 A HN 0.369 nan 8.150 nan 0.000 0.445 636 D N -0.504 119.881 120.400 -0.024 0.000 2.363 636 D HA 0.086 4.726 4.640 -0.000 0.000 0.226 636 D C 0.063 176.244 176.300 -0.199 0.000 1.020 636 D CA 0.444 54.377 54.000 -0.113 0.000 0.892 636 D CB 0.129 40.824 40.800 -0.175 0.000 0.900 636 D HN 0.203 nan 8.370 nan 0.000 0.531 637 V N 1.061 120.907 119.914 -0.113 0.000 2.513 637 V HA 0.134 4.254 4.120 -0.000 0.000 0.299 637 V C 0.467 176.525 176.094 -0.060 0.000 1.035 637 V CA -0.884 61.360 62.300 -0.093 0.000 0.889 637 V CB 1.987 33.830 31.823 0.033 0.000 0.988 637 V HN -0.076 nan 8.190 nan 0.000 0.440 638 S N 3.091 118.747 115.700 -0.073 0.000 2.558 638 S HA 0.129 4.599 4.470 -0.000 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 4.345 127.153 122.820 -0.020 0.000 1.873 639 A HA -0.239 4.081 4.320 -0.000 0.000 0.218 639 A C 2.092 179.693 177.584 0.029 0.000 1.193 639 A CA 1.923 53.959 52.037 -0.000 0.000 0.629 639 A CB -0.870 18.115 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 4.591 4.740 -0.000 0.000 0.185 640 N C 1.354 176.874 175.510 0.016 0.000 1.019 640 N CA 1.774 54.828 53.050 0.006 0.000 0.880 640 N CB -0.450 38.031 38.487 -0.011 0.000 0.965 640 N HN 0.425 nan 8.380 nan 0.000 0.437 641 I N 1.016 121.596 120.570 0.016 0.000 2.400 641 I HA -0.104 4.066 4.170 -0.000 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 4.364 4.556 -0.000 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 -0.140 4.210 4.350 -0.000 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 1.164 121.097 119.914 0.032 0.000 2.343 644 V HA -0.245 3.875 4.120 -0.000 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 -0.256 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 -1.764 119.432 121.223 -0.044 0.000 2.298 645 L HA 0.162 4.502 4.340 -0.000 0.000 0.209 645 L C 0.855 177.665 176.870 -0.100 0.000 1.084 645 L CA 0.505 55.293 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 4.915 4.480 -0.000 0.000 0.307 646 M C -0.964 175.376 176.300 0.067 0.000 1.223 646 M CA -0.348 54.922 55.300 -0.050 0.000 0.871 646 M CB 2.009 34.542 32.600 -0.111 0.000 1.739 646 M HN -0.089 nan 8.290 nan 0.000 0.475 647 H N -0.460 118.626 119.070 0.027 0.000 2.894 647 H HA 0.705 5.261 4.556 -0.000 0.000 0.367 647 H C -1.426 173.940 175.328 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 31.888 29.762 0.024 0.000 1.758 647 H HN 0.827 nan 8.280 nan 0.000 0.541 648 G N 1.847 110.702 108.800 0.092 0.000 2.644 648 G HA2 0.532 4.491 3.960 -0.000 0.000 0.307 648 G HA3 0.532 4.491 3.960 -0.000 0.000 0.307 648 G C -0.858 174.176 174.900 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 4.584 4.120 -0.000 0.000 0.310 649 V C 0.770 176.914 176.094 0.084 0.000 1.059 649 V CA -0.812 61.561 62.300 0.121 0.000 1.004 649 V CB 1.410 33.288 31.823 0.092 0.000 1.045 649 V HN 0.963 nan 8.190 nan 0.000 0.465 650 S N 1.470 117.212 115.700 0.071 0.000 2.546 650 S HA 0.072 4.542 4.470 -0.000 0.000 0.290 650 S C 1.160 175.790 174.600 0.050 0.000 1.290 650 S CA -0.448 57.784 58.200 0.053 0.000 1.069 650 S CB 0.748 63.975 63.200 0.046 0.000 0.846 650 S HN 0.592 nan 8.310 nan 0.000 0.495 651 V N 2.144 122.082 119.914 0.040 0.000 2.469 651 V HA -0.208 3.912 4.120 -0.000 0.000 0.251 651 V C 2.313 178.435 176.094 0.046 0.000 1.064 651 V CA 2.105 64.430 62.300 0.041 0.000 1.066 651 V CB -1.460 30.378 31.823 0.025 0.000 0.667 651 V HN 0.805 nan 8.190 nan 0.000 0.461 652 E N 0.916 121.140 120.200 0.040 0.000 2.012 652 E HA -0.192 4.158 4.350 -0.000 0.000 0.197 652 E C 2.222 178.856 176.600 0.057 0.000 1.007 652 E CA 1.297 57.721 56.400 0.040 0.000 0.816 652 E CB -0.459 29.260 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 4.161 4.320 -0.000 0.000 0.209 653 K C 2.458 179.124 176.600 0.110 0.000 1.048 653 K CA 1.991 58.320 56.287 0.070 0.000 0.926 653 K CB -0.905 31.625 32.500 0.050 0.000 0.713 653 K HN 0.469 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 4.219 4.350 -0.000 0.000 0.263 654 T C 1.960 176.780 174.700 0.200 0.000 1.039 654 T CA 1.184 63.385 62.100 0.167 0.000 1.142 654 T CB -0.171 68.772 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 4.056 4.350 -0.000 0.000 0.196 655 E C 2.544 179.188 176.600 0.073 0.000 1.000 655 E CA 1.248 57.693 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 0.570 nan 8.360 nan 0.000 0.454 656 R N -0.548 120.008 120.500 0.093 0.000 2.081 656 R HA -0.172 4.168 4.340 -0.000 0.000 0.235 656 R C 2.370 178.739 176.300 0.115 0.000 1.131 656 R CA 1.533 57.683 56.100 0.082 0.000 0.960 656 R CB -0.460 29.889 30.300 0.082 0.000 0.856 656 R HN 0.269 nan 8.270 nan 0.000 0.436 657 F N 1.083 121.062 119.950 0.047 0.000 2.046 657 F HA -0.227 4.300 4.527 -0.000 0.000 0.297 657 F C 1.874 177.723 175.800 0.083 0.000 1.123 657 F CA 1.408 59.462 58.000 0.091 0.000 1.199 657 F CB -0.653 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 1.006 122.181 121.223 -0.081 0.000 2.081 658 L HA -0.207 4.132 4.340 -0.000 0.000 0.212 658 L C 2.640 179.336 176.870 -0.291 0.000 1.080 658 L CA 1.947 56.636 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 -1.030 119.373 120.500 -0.160 0.000 2.152 659 R HA -0.126 4.214 4.340 -0.000 0.000 0.232 659 R C 2.155 178.360 176.300 -0.158 0.000 1.117 659 R CA 1.376 57.393 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 -1.794 113.813 115.700 -0.155 0.000 2.575 660 S HA 0.086 4.556 4.470 -0.000 0.000 0.215 660 S C 1.466 175.990 174.600 -0.128 0.000 0.966 660 S CA -0.003 58.167 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 4.389 4.120 -0.000 0.000 0.238 661 V C 1.456 177.046 176.094 -0.839 0.000 1.056 661 V CA 0.720 62.561 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 1.468 120.591 119.600 -0.794 0.000 2.219 662 M HA 0.069 4.549 4.480 -0.000 0.000 0.307 662 M C -1.035 174.891 176.300 -0.623 0.000 1.116 662 M CA -0.607 54.149 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 0.023 nan 4.420 nan 0.000 0.215 663 P C 0.152 177.343 177.300 -0.182 0.000 1.160 663 P CA 1.353 64.286 63.100 -0.279 0.000 0.869 663 P CB 0.566 32.165 31.700 -0.169 0.000 0.782 664 R N 0.000 120.404 120.500 -0.159 0.000 2.786 664 R HA 0.000 4.340 4.340 -0.000 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