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 1uvj_1_A 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 0.000 177.275 177.300 -0.041 0.000 1.155 1 P CA 0.000 63.078 63.100 -0.036 0.000 0.800 1 P CB 0.000 31.678 31.700 -0.037 0.000 0.726 2 R N 2.243 122.718 120.500 -0.042 0.000 1.430 2 R HA -0.142 4.673 4.340 0.792 0.000 0.404 2 R C -0.503 175.759 176.300 -0.063 0.000 1.314 2 R CA 1.108 57.182 56.100 -0.044 0.000 1.171 2 R CB -0.200 30.082 30.300 -0.029 0.000 3.410 2 R HN 0.589 nan 8.270 nan 0.000 0.488 3 R N 4.005 124.460 120.500 -0.075 0.000 2.531 3 R HA 0.675 5.490 4.340 0.792 0.000 0.273 3 R C 0.051 176.297 176.300 -0.091 0.000 1.070 3 R CA -0.031 56.006 56.100 -0.106 0.000 1.112 3 R CB 1.000 31.226 30.300 -0.122 0.000 1.049 3 R HN 0.655 nan 8.270 nan 0.000 0.508 4 A N 3.746 126.503 122.820 -0.105 0.000 2.371 4 A HA 0.378 5.173 4.320 0.792 0.000 0.257 4 A C -1.969 175.562 177.584 -0.088 0.000 1.089 4 A CA -1.637 50.359 52.037 -0.068 0.000 0.794 4 A CB -0.151 18.819 19.000 -0.049 0.000 1.029 4 A HN 0.768 nan 8.150 nan 0.000 0.488 5 P HA 0.442 nan 4.420 nan 0.000 0.275 5 P C -0.688 176.423 177.300 -0.314 0.000 1.228 5 P CA 0.036 63.001 63.100 -0.224 0.000 0.786 5 P CB 1.327 32.931 31.700 -0.161 0.000 0.927 6 A N 2.280 124.797 122.820 -0.505 0.000 2.414 6 A HA 0.787 5.582 4.320 0.792 0.000 0.306 6 A C -1.439 175.790 177.584 -0.592 0.000 1.054 6 A CA -0.520 51.357 52.037 -0.267 0.000 0.724 6 A CB 0.949 20.066 19.000 0.195 0.000 1.267 6 A HN 0.366 nan 8.150 nan 0.000 0.418 7 F N 2.095 122.143 119.950 0.165 0.000 2.547 7 F HA 0.570 5.572 4.527 0.791 0.000 0.316 7 F C -2.225 173.674 175.800 0.165 0.000 1.121 7 F CA -2.195 55.891 58.000 0.142 0.000 0.911 7 F CB 2.319 41.401 39.000 0.138 0.000 1.179 7 F HN 0.335 nan 8.300 nan 0.000 0.443 8 P HA 0.037 nan 4.420 nan 0.000 0.274 8 P C 0.812 178.299 177.300 0.311 0.000 1.237 8 P CA -0.360 62.883 63.100 0.238 0.000 0.793 8 P CB 1.403 33.193 31.700 0.149 0.000 0.977 9 L N 2.849 124.273 121.223 0.336 0.000 2.081 9 L HA -0.226 4.589 4.340 0.792 0.000 0.212 9 L C 2.319 179.329 176.870 0.233 0.000 1.080 9 L CA 2.725 57.786 54.840 0.368 0.000 0.754 9 L CB -1.660 40.604 42.059 0.341 0.000 0.893 9 L HN 0.487 nan 8.230 nan 0.000 0.433 10 S N -1.891 113.911 115.700 0.171 0.000 2.447 10 S HA -0.146 4.799 4.470 0.792 0.000 0.233 10 S C 1.076 175.752 174.600 0.127 0.000 1.006 10 S CA 0.416 58.689 58.200 0.121 0.000 0.957 10 S CB -0.893 62.362 63.200 0.090 0.000 0.773 10 S HN 0.639 nan 8.310 nan 0.000 0.507 11 D N 0.861 121.360 120.400 0.165 0.000 2.414 11 D HA 0.041 5.156 4.640 0.792 0.000 0.242 11 D C 1.173 177.531 176.300 0.097 0.000 1.129 11 D CA -0.151 53.939 54.000 0.150 0.000 0.885 11 D CB 0.817 41.759 40.800 0.237 0.000 1.198 11 D HN 0.139 nan 8.370 nan 0.000 0.437 12 I N 4.490 125.092 120.570 0.053 0.000 2.248 12 I HA -0.272 4.373 4.170 0.792 0.000 0.248 12 I C 2.057 178.160 176.117 -0.025 0.000 1.107 12 I CA 1.664 62.977 61.300 0.023 0.000 1.373 12 I CB -0.036 37.970 38.000 0.010 0.000 1.055 12 I HN 0.414 nan 8.210 nan 0.000 0.418 13 K N 0.174 120.503 120.400 -0.118 0.000 2.147 13 K HA -0.086 4.710 4.320 0.792 0.000 0.205 13 K C 2.082 178.607 176.600 -0.124 0.000 1.049 13 K CA 1.333 57.475 56.287 -0.241 0.000 0.936 13 K CB -0.289 31.821 32.500 -0.651 0.000 0.722 13 K HN 0.494 nan 8.250 nan 0.000 0.446 14 A N 0.831 123.668 122.820 0.029 0.000 1.935 14 A HA -0.094 4.701 4.320 0.792 0.000 0.214 14 A C 2.009 179.704 177.584 0.184 0.000 1.178 14 A CA 0.706 52.847 52.037 0.174 0.000 0.640 14 A CB -0.126 19.107 19.000 0.389 0.000 0.825 14 A HN 0.116 nan 8.150 nan 0.000 0.447 15 Q N -0.279 119.623 119.800 0.171 0.000 2.135 15 Q HA -0.126 4.689 4.340 0.792 0.000 0.204 15 Q C 2.009 178.093 176.000 0.141 0.000 0.981 15 Q CA 1.359 57.279 55.803 0.195 0.000 0.856 15 Q CB -0.459 28.352 28.738 0.121 0.000 0.902 15 Q HN 0.684 nan 8.270 nan 0.000 0.425 16 M N -0.007 119.624 119.600 0.051 0.000 2.549 16 M HA -0.072 4.883 4.480 0.792 0.000 0.260 16 M C 1.778 178.083 176.300 0.008 0.000 1.076 16 M CA 0.831 56.161 55.300 0.051 0.000 1.090 16 M CB -0.336 32.299 32.600 0.058 0.000 1.418 16 M HN 0.152 nan 8.290 nan 0.000 0.486 17 L N -1.013 120.072 121.223 -0.229 0.000 2.478 17 L HA 0.038 4.853 4.340 0.792 0.000 0.223 17 L C -0.167 176.227 176.870 -0.793 0.000 1.140 17 L CA 0.302 54.795 54.840 -0.578 0.000 0.842 17 L CB -0.221 41.256 42.059 -0.970 0.000 0.953 17 L HN 0.083 nan 8.230 nan 0.000 0.452 18 F N 0.080 120.043 119.950 0.023 0.000 2.499 18 F HA 0.567 5.569 4.527 0.792 0.000 0.333 18 F C 0.654 176.463 175.800 0.014 0.000 1.138 18 F CA -1.043 56.970 58.000 0.021 0.000 0.945 18 F CB 0.761 39.713 39.000 -0.080 0.000 1.181 18 F HN -0.217 nan 8.300 nan 0.000 0.435 19 A N 1.843 124.755 122.820 0.153 0.000 2.475 19 A HA 0.051 4.846 4.320 0.792 0.000 0.239 19 A C 0.680 178.353 177.584 0.147 0.000 1.087 19 A CA -0.312 51.798 52.037 0.122 0.000 0.779 19 A CB 0.109 19.221 19.000 0.187 0.000 1.036 19 A HN 0.776 nan 8.150 nan 0.000 0.506 20 N N 0.682 119.454 118.700 0.120 0.000 3.210 20 N HA 0.103 5.318 4.740 0.792 0.000 0.314 20 N C -0.742 174.817 175.510 0.082 0.000 1.291 20 N CA 0.077 53.178 53.050 0.086 0.000 1.202 20 N CB -0.927 37.599 38.487 0.065 0.000 1.475 20 N HN 0.720 nan 8.380 nan 0.000 0.554 21 N N -1.204 117.552 118.700 0.093 0.000 2.357 21 N HA 0.280 5.495 4.740 0.792 0.000 0.284 21 N C 0.688 176.223 175.510 0.042 0.000 1.236 21 N CA -0.817 52.276 53.050 0.072 0.000 0.774 21 N CB 0.820 39.366 38.487 0.099 0.000 1.534 21 N HN -0.266 nan 8.380 nan 0.000 0.478 22 I N 0.461 121.043 120.570 0.020 0.000 2.208 22 I HA -0.235 4.410 4.170 0.792 0.000 0.245 22 I C 1.820 177.920 176.117 -0.028 0.000 1.097 22 I CA 1.458 62.754 61.300 -0.008 0.000 1.363 22 I CB -0.976 37.019 38.000 -0.007 0.000 1.051 22 I HN 0.657 nan 8.210 nan 0.000 0.413 23 K N 0.991 121.390 120.400 -0.001 0.000 2.057 23 K HA -0.110 4.685 4.320 0.792 0.000 0.207 23 K C 2.224 178.757 176.600 -0.110 0.000 1.049 23 K CA 1.581 57.857 56.287 -0.018 0.000 0.931 23 K CB -0.291 32.245 32.500 0.059 0.000 0.714 23 K HN 0.312 nan 8.250 nan 0.000 0.440 24 A N 1.808 124.616 122.820 -0.021 0.000 1.873 24 A HA -0.176 4.619 4.320 0.792 0.000 0.215 24 A C 2.208 179.618 177.584 -0.289 0.000 1.186 24 A CA 1.209 53.180 52.037 -0.110 0.000 0.616 24 A CB -0.302 18.860 19.000 0.270 0.000 0.823 24 A HN 0.214 nan 8.150 nan 0.000 0.442 25 Q N -0.260 119.442 119.800 -0.163 0.000 2.084 25 Q HA -0.208 4.607 4.340 0.792 0.000 0.202 25 Q C 2.145 177.969 176.000 -0.294 0.000 0.978 25 Q CA 1.795 57.463 55.803 -0.225 0.000 0.844 25 Q CB -0.483 28.192 28.738 -0.105 0.000 0.898 25 Q HN 0.821 nan 8.270 nan 0.000 0.426 26 Q N -0.068 119.599 119.800 -0.222 0.000 2.124 26 Q HA -0.079 4.736 4.340 0.792 0.000 0.202 26 Q C 2.012 177.867 176.000 -0.242 0.000 0.977 26 Q CA 1.336 57.030 55.803 -0.183 0.000 0.850 26 Q CB -0.141 28.529 28.738 -0.114 0.000 0.901 26 Q HN 0.388 nan 8.270 nan 0.000 0.429 27 A N 0.807 123.371 122.820 -0.427 0.000 1.933 27 A HA -0.203 4.592 4.320 0.792 0.000 0.218 27 A C 2.224 179.577 177.584 -0.385 0.000 1.175 27 A CA 1.720 53.458 52.037 -0.499 0.000 0.628 27 A CB -0.633 17.572 19.000 -1.325 0.000 0.814 27 A HN 0.469 nan 8.150 nan 0.000 0.444 28 S N -0.114 115.078 115.700 -0.846 0.000 2.383 28 S HA -0.123 4.822 4.470 0.792 0.000 0.227 28 S C 1.635 176.108 174.600 -0.212 0.000 1.026 28 S CA 1.505 59.019 58.200 -1.144 0.000 0.981 28 S CB -0.286 61.724 63.200 -1.984 0.000 0.818 28 S HN 0.605 nan 8.310 nan 0.000 0.472 29 K N 0.471 120.763 120.400 -0.180 0.000 2.374 29 K HA 0.236 5.031 4.320 0.792 0.000 0.196 29 K C 0.624 177.246 176.600 0.037 0.000 1.023 29 K CA -0.349 55.882 56.287 -0.094 0.000 1.103 29 K CB 0.158 32.560 32.500 -0.163 0.000 0.848 29 K HN 0.272 nan 8.250 nan 0.000 0.528 30 R N 2.619 123.200 120.500 0.136 0.000 2.504 30 R HA -0.046 4.769 4.340 0.792 0.000 0.291 30 R C -0.018 176.470 176.300 0.314 0.000 0.974 30 R CA 0.182 56.380 56.100 0.164 0.000 1.077 30 R CB 0.321 30.704 30.300 0.139 0.000 0.926 30 R HN 0.108 nan 8.270 nan 0.000 0.407 31 S N 4.130 119.955 115.700 0.207 0.000 2.669 31 S HA 0.173 5.118 4.470 0.792 0.000 0.270 31 S C 0.053 174.788 174.600 0.226 0.000 1.225 31 S CA -0.914 57.447 58.200 0.268 0.000 0.991 31 S CB 0.604 63.915 63.200 0.186 0.000 0.987 31 S HN 0.504 nan 8.310 nan 0.000 0.552 32 F N 1.291 121.313 119.950 0.121 0.000 2.629 32 F HA 0.427 5.429 4.527 0.791 0.000 0.377 32 F C 0.181 176.030 175.800 0.081 0.000 1.101 32 F CA 0.545 58.592 58.000 0.078 0.000 1.301 32 F CB 0.244 39.284 39.000 0.066 0.000 1.062 32 F HN 0.572 nan 8.300 nan 0.000 0.583 33 K N 4.494 124.460 120.400 -0.722 0.000 2.469 33 K HA 0.438 5.233 4.320 0.792 0.000 0.254 33 K C -1.511 174.697 176.600 -0.653 0.000 0.939 33 K CA -0.738 55.274 56.287 -0.458 0.000 0.812 33 K CB 1.832 34.199 32.500 -0.221 0.000 1.301 33 K HN 0.745 nan 8.250 nan 0.000 0.433 34 E N 0.757 120.735 120.200 -0.371 0.000 2.407 34 E HA 0.795 5.620 4.350 0.792 0.000 0.279 34 E C -0.832 175.480 176.600 -0.481 0.000 1.012 34 E CA -1.429 54.745 56.400 -0.377 0.000 0.800 34 E CB 1.825 31.464 29.700 -0.102 0.000 1.276 34 E HN 0.612 nan 8.360 nan 0.000 0.452 35 G N -0.155 108.092 108.800 -0.921 0.000 2.355 35 G HA2 0.505 4.940 3.960 0.792 0.000 0.296 35 G HA3 0.505 4.940 3.960 0.792 0.000 0.296 35 G C -1.249 173.035 174.900 -1.028 0.000 1.507 35 G CA -0.452 44.070 45.100 -0.962 0.000 0.823 35 G HN 0.758 nan 8.290 nan 0.000 0.569 36 A N 0.073 122.548 122.820 -0.575 0.000 2.498 36 A HA 0.578 5.373 4.320 0.792 0.000 0.239 36 A C 0.880 178.369 177.584 -0.158 0.000 1.068 36 A CA 0.289 52.205 52.037 -0.202 0.000 0.766 36 A CB -0.268 18.779 19.000 0.078 0.000 1.003 36 A HN 1.735 nan 8.150 nan 0.000 0.497 37 I N -0.883 119.636 120.570 -0.085 0.000 2.577 37 I HA 0.438 5.083 4.170 0.792 0.000 0.300 37 I C 0.341 176.439 176.117 -0.032 0.000 0.990 37 I CA -0.608 60.655 61.300 -0.061 0.000 1.283 37 I CB 1.185 39.163 38.000 -0.038 0.000 1.411 37 I HN 0.723 nan 8.210 nan 0.000 0.515 38 E N 3.286 123.462 120.200 -0.039 0.000 1.814 38 E HA 0.106 4.931 4.350 0.792 0.000 0.264 38 E C 0.406 176.959 176.600 -0.079 0.000 1.179 38 E CA -0.166 56.212 56.400 -0.038 0.000 0.972 38 E CB 0.459 30.144 29.700 -0.026 0.000 1.077 38 E HN 0.828 nan 8.360 nan 0.000 0.417 39 T N 3.516 118.002 114.554 -0.113 0.000 2.653 39 T HA -0.182 4.643 4.350 0.792 0.000 0.268 39 T C -0.166 174.206 174.700 -0.546 0.000 1.035 39 T CA 1.602 63.544 62.100 -0.262 0.000 1.154 39 T CB -0.104 68.615 68.868 -0.248 0.000 0.862 39 T HN 0.376 nan 8.240 nan 0.000 0.441 40 Y N -0.450 119.856 120.300 0.010 0.000 2.644 40 Y HA 0.398 5.423 4.550 0.791 0.000 0.338 40 Y C -0.263 175.648 175.900 0.018 0.000 1.119 40 Y CA -1.713 56.407 58.100 0.033 0.000 1.060 40 Y CB 1.096 39.622 38.460 0.111 0.000 1.294 40 Y HN -0.080 nan 8.280 nan 0.000 0.472 41 E N 0.676 120.990 120.200 0.190 0.000 2.493 41 E HA 0.288 5.113 4.350 0.792 0.000 0.255 41 E C 0.657 177.316 176.600 0.099 0.000 0.999 41 E CA 1.288 57.745 56.400 0.094 0.000 0.934 41 E CB 0.008 29.742 29.700 0.057 0.000 0.940 41 E HN 0.875 nan 8.360 nan 0.000 0.473 42 G N 3.417 112.253 108.800 0.059 0.000 2.148 42 G HA2 -0.282 4.153 3.960 0.792 0.000 0.254 42 G HA3 -0.282 4.153 3.960 0.792 0.000 0.254 42 G C -0.097 174.831 174.900 0.048 0.000 0.981 42 G CA -0.129 45.001 45.100 0.049 0.000 0.670 42 G HN 0.475 nan 8.290 nan 0.000 0.528 43 L N 0.485 121.736 121.223 0.046 0.000 2.404 43 L HA 0.586 5.401 4.340 0.792 0.000 0.272 43 L C -0.550 176.299 176.870 -0.035 0.000 0.980 43 L CA -1.045 53.798 54.840 0.004 0.000 0.836 43 L CB 1.199 43.255 42.059 -0.005 0.000 1.238 43 L HN -0.020 nan 8.230 nan 0.000 0.408 44 L N 2.626 123.842 121.223 -0.012 0.000 2.375 44 L HA 0.268 5.083 4.340 0.792 0.000 0.271 44 L C 1.613 178.513 176.870 0.050 0.000 1.107 44 L CA 0.449 55.298 54.840 0.015 0.000 0.806 44 L CB 1.776 43.862 42.059 0.046 0.000 1.146 44 L HN 0.744 nan 8.230 nan 0.000 0.447 45 S N 1.000 116.773 115.700 0.122 0.000 2.469 45 S HA -0.097 4.848 4.470 0.792 0.000 0.238 45 S C 1.084 175.929 174.600 0.409 0.000 0.998 45 S CA 0.884 59.281 58.200 0.329 0.000 0.957 45 S CB -0.454 62.929 63.200 0.304 0.000 0.764 45 S HN 0.570 nan 8.310 nan 0.000 0.514 46 V N -1.346 118.721 119.914 0.256 0.000 3.483 46 V HA 0.284 4.879 4.120 0.792 0.000 0.301 46 V C 0.338 176.494 176.094 0.103 0.000 1.389 46 V CA -0.437 61.968 62.300 0.175 0.000 1.101 46 V CB -0.708 31.213 31.823 0.162 0.000 0.971 46 V HN 0.316 nan 8.190 nan 0.000 0.434 47 D N 2.325 122.808 120.400 0.138 0.000 2.531 47 D HA 0.032 5.147 4.640 0.792 0.000 0.239 47 D C -1.378 174.931 176.300 0.014 0.000 1.144 47 D CA -0.745 53.298 54.000 0.071 0.000 0.869 47 D CB 1.973 42.832 40.800 0.098 0.000 1.160 47 D HN 0.159 nan 8.370 nan 0.000 0.484 48 P HA -0.146 nan 4.420 nan 0.000 0.216 48 P C 1.038 178.215 177.300 -0.206 0.000 1.150 48 P CA 1.448 64.464 63.100 -0.139 0.000 0.843 48 P CB 0.239 31.860 31.700 -0.131 0.000 0.787 49 R N -2.008 118.316 120.500 -0.294 0.000 2.075 49 R HA -0.093 4.722 4.340 0.792 0.000 0.232 49 R C 2.171 178.163 176.300 -0.514 0.000 1.126 49 R CA 1.069 56.808 56.100 -0.601 0.000 0.963 49 R CB -1.422 28.183 30.300 -1.159 0.000 0.858 49 R HN 0.162 nan 8.270 nan 0.000 0.435 50 F N 1.256 120.993 119.950 -0.355 0.000 2.134 50 F HA -0.052 4.950 4.527 0.792 0.000 0.299 50 F C 1.676 177.508 175.800 0.055 0.000 1.097 50 F CA 1.265 59.267 58.000 0.002 0.000 1.264 50 F CB -0.209 38.899 39.000 0.180 0.000 1.001 50 F HN -0.104 nan 8.300 nan 0.000 0.479 51 L N -1.186 119.994 121.223 -0.073 0.000 2.093 51 L HA -0.200 4.615 4.340 0.792 0.000 0.208 51 L C 2.693 179.412 176.870 -0.251 0.000 1.085 51 L CA 1.445 56.083 54.840 -0.337 0.000 0.755 51 L CB -1.056 40.647 42.059 -0.594 0.000 0.904 51 L HN 0.167 nan 8.230 nan 0.000 0.435 52 S N -0.029 115.554 115.700 -0.195 0.000 2.368 52 S HA -0.219 4.726 4.470 0.792 0.000 0.225 52 S C 1.965 176.525 174.600 -0.067 0.000 1.030 52 S CA 1.199 59.318 58.200 -0.135 0.000 0.999 52 S CB -0.320 62.779 63.200 -0.168 0.000 0.844 52 S HN 0.418 nan 8.310 nan 0.000 0.459 53 F N 2.179 121.991 119.950 -0.230 0.000 2.069 53 F HA -0.063 4.939 4.527 0.792 0.000 0.298 53 F C 2.096 177.804 175.800 -0.153 0.000 1.113 53 F CA 1.931 59.820 58.000 -0.185 0.000 1.214 53 F CB -0.538 38.355 39.000 -0.178 0.000 0.978 53 F HN 0.122 nan 8.300 nan 0.000 0.474 54 K N 0.010 120.198 120.400 -0.354 0.000 2.097 54 K HA -0.239 4.556 4.320 0.792 0.000 0.206 54 K C 1.954 178.483 176.600 -0.119 0.000 1.049 54 K CA 1.561 57.634 56.287 -0.357 0.000 0.933 54 K CB -0.512 31.939 32.500 -0.080 0.000 0.717 54 K HN 0.341 nan 8.250 nan 0.000 0.442 55 N N 1.465 120.209 118.700 0.073 0.000 2.043 55 N HA -0.239 4.977 4.740 0.792 0.000 0.193 55 N C 1.756 177.288 175.510 0.036 0.000 1.037 55 N CA 1.841 54.960 53.050 0.114 0.000 0.851 55 N CB -0.030 38.551 38.487 0.157 0.000 1.027 55 N HN 0.232 nan 8.380 nan 0.000 0.422 56 E N -0.734 119.449 120.200 -0.030 0.000 2.051 56 E HA -0.184 4.641 4.350 0.792 0.000 0.192 56 E C 1.978 178.558 176.600 -0.032 0.000 0.991 56 E CA 0.979 57.372 56.400 -0.011 0.000 0.799 56 E CB -0.237 29.444 29.700 -0.031 0.000 0.748 56 E HN 0.381 nan 8.360 nan 0.000 0.449 57 L N 0.961 122.044 121.223 -0.233 0.000 2.056 57 L HA -0.163 4.652 4.340 0.792 0.000 0.207 57 L C 2.488 179.318 176.870 -0.066 0.000 1.078 57 L CA 2.345 57.036 54.840 -0.247 0.000 0.749 57 L CB -0.653 41.011 42.059 -0.659 0.000 0.901 57 L HN 0.267 nan 8.230 nan 0.000 0.433 58 S N -0.833 114.854 115.700 -0.023 0.000 2.368 58 S HA -0.214 4.731 4.470 0.792 0.000 0.225 58 S C 2.142 176.896 174.600 0.256 0.000 1.030 58 S CA 1.080 59.366 58.200 0.143 0.000 0.999 58 S CB -0.621 62.726 63.200 0.244 0.000 0.844 58 S HN 0.503 nan 8.310 nan 0.000 0.459 59 R N -0.420 120.285 120.500 0.342 0.000 2.066 59 R HA 0.001 4.816 4.340 0.792 0.000 0.232 59 R C 2.360 178.821 176.300 0.268 0.000 1.131 59 R CA 1.581 57.933 56.100 0.419 0.000 0.955 59 R CB -0.620 29.892 30.300 0.354 0.000 0.851 59 R HN 0.579 nan 8.270 nan 0.000 0.432 60 Y N 1.472 121.843 120.300 0.118 0.000 2.145 60 Y HA -0.167 4.859 4.550 0.792 0.000 0.286 60 Y C 1.898 177.881 175.900 0.139 0.000 1.145 60 Y CA 1.493 59.678 58.100 0.142 0.000 1.148 60 Y CB -0.140 38.354 38.460 0.056 0.000 0.981 60 Y HN -0.050 nan 8.280 nan 0.000 0.507 61 L N -1.058 120.202 121.223 0.061 0.000 2.093 61 L HA -0.197 4.618 4.340 0.792 0.000 0.208 61 L C 2.279 179.105 176.870 -0.074 0.000 1.085 61 L CA 1.652 56.384 54.840 -0.181 0.000 0.755 61 L CB -0.871 40.640 42.059 -0.912 0.000 0.904 61 L HN 0.212 nan 8.230 nan 0.000 0.435 62 T N -1.090 113.486 114.554 0.037 0.000 2.737 62 T HA -0.210 4.615 4.350 0.792 0.000 0.265 62 T C 1.499 176.195 174.700 -0.006 0.000 1.038 62 T CA 1.707 63.858 62.100 0.086 0.000 1.144 62 T CB -0.217 68.459 68.868 -0.321 0.000 0.866 62 T HN 0.332 nan 8.240 nan 0.000 0.434 63 D N 0.442 120.800 120.400 -0.071 0.000 2.097 63 D HA -0.126 4.989 4.640 0.792 0.000 0.195 63 D C 1.804 177.838 176.300 -0.445 0.000 0.989 63 D CA 1.355 55.227 54.000 -0.215 0.000 0.827 63 D CB -0.129 40.532 40.800 -0.231 0.000 0.966 63 D HN 0.506 nan 8.370 nan 0.000 0.456 64 H N -2.225 116.528 119.070 -0.528 0.000 2.512 64 H HA 0.217 5.247 4.556 0.791 0.000 0.279 64 H C -0.090 174.622 175.328 -1.027 0.000 0.999 64 H CA 0.539 56.069 56.048 -0.864 0.000 1.283 64 H CB 0.204 29.176 29.762 -1.316 0.000 1.421 64 H HN 0.085 nan 8.280 nan 0.000 0.554 65 F N 0.774 120.728 119.950 0.007 0.000 2.531 65 F HA 0.341 5.343 4.527 0.791 0.000 0.333 65 F C -2.513 173.370 175.800 0.139 0.000 1.292 65 F CA -3.076 54.976 58.000 0.087 0.000 1.184 65 F CB 0.793 39.867 39.000 0.124 0.000 1.426 65 F HN -0.143 nan 8.300 nan 0.000 0.559 66 P HA 0.164 nan 4.420 nan 0.000 0.269 66 P C -0.028 177.323 177.300 0.084 0.000 1.215 66 P CA -0.245 62.907 63.100 0.087 0.000 0.780 66 P CB 0.750 32.468 31.700 0.030 0.000 0.898 67 A N 2.509 125.353 122.820 0.040 0.000 2.520 67 A HA 0.052 4.847 4.320 0.792 0.000 0.235 67 A C 0.154 177.705 177.584 -0.054 0.000 1.065 67 A CA 0.206 52.241 52.037 -0.004 0.000 0.764 67 A CB -0.688 18.319 19.000 0.013 0.000 1.002 67 A HN 0.632 nan 8.150 nan 0.000 0.502 68 N N 0.963 119.542 118.700 -0.201 0.000 2.851 68 N HA 0.434 5.649 4.740 0.792 0.000 0.248 68 N C -1.618 173.553 175.510 -0.566 0.000 1.221 68 N CA -0.267 52.425 53.050 -0.597 0.000 0.847 68 N CB 1.431 39.328 38.487 -0.983 0.000 1.150 68 N HN 0.343 nan 8.380 nan 0.000 0.507 69 V N 1.659 121.532 119.914 -0.069 0.000 2.525 69 V HA 0.168 4.763 4.120 0.792 0.000 0.299 69 V C -0.196 176.060 176.094 0.270 0.000 1.034 69 V CA -0.972 61.369 62.300 0.070 0.000 0.863 69 V CB 1.665 33.395 31.823 -0.154 0.000 0.999 69 V HN 0.543 nan 8.190 nan 0.000 0.423 70 D N 2.865 123.465 120.400 0.333 0.000 2.414 70 D HA 0.130 5.245 4.640 0.792 0.000 0.251 70 D C 0.930 177.294 176.300 0.106 0.000 1.252 70 D CA -0.486 53.633 54.000 0.197 0.000 0.999 70 D CB 0.791 41.639 40.800 0.081 0.000 1.093 70 D HN 0.499 nan 8.370 nan 0.000 0.515 71 E N -1.280 118.942 120.200 0.037 0.000 2.267 71 E HA -0.187 4.638 4.350 0.792 0.000 0.197 71 E C 0.695 177.094 176.600 -0.335 0.000 0.998 71 E CA 1.215 57.550 56.400 -0.109 0.000 0.830 71 E CB -0.593 28.985 29.700 -0.205 0.000 0.751 71 E HN 0.502 nan 8.360 nan 0.000 0.491 72 Y N -0.329 119.840 120.300 -0.219 0.000 2.532 72 Y HA 0.313 5.339 4.550 0.793 0.000 0.283 72 Y C 1.478 177.289 175.900 -0.147 0.000 1.181 72 Y CA 0.053 57.899 58.100 -0.423 0.000 1.256 72 Y CB 0.615 38.747 38.460 -0.546 0.000 1.112 72 Y HN 0.118 nan 8.280 nan 0.000 0.521 73 G N 1.060 109.935 108.800 0.125 0.000 2.168 73 G HA2 -0.344 4.091 3.960 0.792 0.000 0.257 73 G HA3 -0.344 4.091 3.960 0.792 0.000 0.257 73 G C 0.080 175.089 174.900 0.182 0.000 0.997 73 G CA -0.213 45.014 45.100 0.211 0.000 0.708 73 G HN 0.340 nan 8.290 nan 0.000 0.520 74 R N -0.274 120.327 120.500 0.167 0.000 2.297 74 R HA 0.576 5.391 4.340 0.792 0.000 0.308 74 R C 0.726 177.176 176.300 0.251 0.000 1.029 74 R CA -0.095 56.115 56.100 0.184 0.000 0.929 74 R CB 1.918 32.140 30.300 -0.130 0.000 1.046 74 R HN 0.632 nan 8.270 nan 0.000 0.461 75 V N 2.579 122.651 119.914 0.262 0.000 2.686 75 V HA 0.606 5.201 4.120 0.792 0.000 0.295 75 V C -0.698 175.559 176.094 0.272 0.000 1.057 75 V CA -0.172 62.222 62.300 0.156 0.000 1.012 75 V CB 0.535 32.391 31.823 0.055 0.000 1.006 75 V HN 0.833 nan 8.190 nan 0.000 0.477 76 Y N 2.298 122.671 120.300 0.121 0.000 2.974 76 Y HA 0.922 5.946 4.550 0.791 0.000 0.310 76 Y C 0.955 176.915 175.900 0.099 0.000 1.551 76 Y CA -0.465 57.706 58.100 0.119 0.000 1.084 76 Y CB 0.354 38.880 38.460 0.110 0.000 1.446 76 Y HN 1.464 nan 8.280 nan 0.000 0.472 77 G N 1.645 110.594 108.800 0.248 0.000 2.660 77 G HA2 -0.489 3.946 3.960 0.792 0.000 0.321 77 G HA3 -0.489 3.946 3.960 0.792 0.000 0.321 77 G C 0.782 175.708 174.900 0.044 0.000 1.246 77 G CA 1.145 46.323 45.100 0.131 0.000 1.000 77 G HN 1.499 nan 8.290 nan 0.000 0.550 78 N N 2.190 120.897 118.700 0.011 0.000 2.573 78 N HA 0.228 5.443 4.740 0.792 0.000 0.187 78 N C 1.705 177.239 175.510 0.041 0.000 1.107 78 N CA 1.198 54.291 53.050 0.070 0.000 0.918 78 N CB -0.148 38.439 38.487 0.167 0.000 0.966 78 N HN 2.194 nan 8.380 nan 0.000 0.448 79 G N 0.078 108.872 108.800 -0.010 0.000 2.153 79 G HA2 -0.265 4.170 3.960 0.792 0.000 0.252 79 G HA3 -0.265 4.170 3.960 0.792 0.000 0.252 79 G C -0.148 174.764 174.900 0.020 0.000 0.994 79 G CA 0.276 45.384 45.100 0.013 0.000 0.698 79 G HN 0.259 nan 8.290 nan 0.000 0.521 80 V N 0.645 120.561 119.914 0.003 0.000 2.427 80 V HA 0.552 5.147 4.120 0.792 0.000 0.286 80 V C 1.338 177.397 176.094 -0.058 0.000 1.034 80 V CA 0.111 62.411 62.300 0.000 0.000 0.893 80 V CB 1.538 33.422 31.823 0.102 0.000 0.982 80 V HN 0.556 nan 8.190 nan 0.000 0.452 81 R N 1.986 122.439 120.500 -0.078 0.000 2.437 81 R HA 0.412 5.227 4.340 0.792 0.000 0.257 81 R C 0.437 176.720 176.300 -0.029 0.000 0.927 81 R CA -0.005 56.069 56.100 -0.043 0.000 1.078 81 R CB 0.865 31.161 30.300 -0.006 0.000 1.161 81 R HN 0.615 nan 8.270 nan 0.000 0.529 82 T N 0.360 114.830 114.554 -0.140 0.000 2.700 82 T HA 0.148 4.973 4.350 0.792 0.000 0.307 82 T C -1.617 172.891 174.700 -0.321 0.000 1.580 82 T CA -0.784 61.232 62.100 -0.139 0.000 0.992 82 T CB 0.963 69.776 68.868 -0.092 0.000 1.577 82 T HN 0.400 nan 8.240 nan 0.000 0.496 83 N N 0.223 118.772 118.700 -0.252 0.000 2.288 83 N HA 0.256 5.471 4.740 0.792 0.000 0.237 83 N C 0.002 175.197 175.510 -0.525 0.000 1.311 83 N CA 0.023 52.849 53.050 -0.372 0.000 0.909 83 N CB -0.053 38.189 38.487 -0.409 0.000 1.167 83 N HN 0.483 nan 8.380 nan 0.000 0.476 84 F N -1.724 117.987 119.950 -0.397 0.000 2.639 84 F HA 0.372 5.375 4.527 0.793 0.000 0.300 84 F C 0.535 176.286 175.800 -0.081 0.000 1.109 84 F CA -0.495 57.399 58.000 -0.176 0.000 1.335 84 F CB -0.422 38.515 39.000 -0.104 0.000 1.014 84 F HN 0.384 nan 8.300 nan 0.000 0.537 85 F N -0.469 119.567 119.950 0.143 0.000 2.699 85 F HA 0.032 5.034 4.527 0.792 0.000 0.298 85 F C 2.364 178.153 175.800 -0.019 0.000 1.154 85 F CA 0.239 58.260 58.000 0.036 0.000 1.457 85 F CB -0.444 38.606 39.000 0.083 0.000 1.106 85 F HN 0.131 nan 8.300 nan 0.000 0.585 86 G N 1.317 110.241 108.800 0.206 0.000 2.501 86 G HA2 -0.274 4.161 3.960 0.792 0.000 0.220 86 G HA3 -0.274 4.161 3.960 0.792 0.000 0.220 86 G C 1.603 176.674 174.900 0.285 0.000 1.114 86 G CA 0.833 46.068 45.100 0.224 0.000 0.757 86 G HN 0.507 nan 8.290 nan 0.000 0.559 87 M N -0.597 119.123 119.600 0.200 0.000 2.619 87 M HA 0.271 5.226 4.480 0.792 0.000 0.251 87 M C 1.226 177.585 176.300 0.098 0.000 1.106 87 M CA 0.447 55.870 55.300 0.205 0.000 1.086 87 M CB 0.113 32.824 32.600 0.184 0.000 1.465 87 M HN -0.108 nan 8.290 nan 0.000 0.506 88 R N 2.112 122.510 120.500 -0.171 0.000 4.902 88 R HA 0.186 5.001 4.340 0.792 0.000 0.201 88 R C -0.740 175.254 176.300 -0.511 0.000 2.020 88 R CA 0.120 55.795 56.100 -0.708 0.000 1.674 88 R CB -0.633 28.969 30.300 -1.163 0.000 1.349 88 R HN 0.503 nan 8.270 nan 0.000 0.813 89 H N 0.545 119.695 119.070 0.133 0.000 2.622 89 H HA 0.247 5.278 4.556 0.792 0.000 0.363 89 H C 0.309 175.849 175.328 0.353 0.000 1.151 89 H CA -0.940 55.260 56.048 0.253 0.000 1.184 89 H CB 1.897 31.777 29.762 0.196 0.000 1.643 89 H HN -0.035 nan 8.280 nan 0.000 0.531 90 M N 2.776 122.651 119.600 0.458 0.000 3.042 90 M HA 0.042 4.997 4.480 0.792 0.000 0.283 90 M C -0.123 176.447 176.300 0.451 0.000 1.473 90 M CA -0.238 55.316 55.300 0.423 0.000 1.583 90 M CB -1.216 31.582 32.600 0.329 0.000 1.221 90 M HN 0.315 nan 8.290 nan 0.000 0.518 91 N N 2.069 120.987 118.700 0.363 0.000 2.359 91 N HA 0.096 5.311 4.740 0.792 0.000 0.261 91 N C 1.345 176.920 175.510 0.108 0.000 1.267 91 N CA 1.144 54.332 53.050 0.230 0.000 0.864 91 N CB 0.677 39.292 38.487 0.214 0.000 1.063 91 N HN 0.914 nan 8.380 nan 0.000 0.474 92 G N 1.190 109.979 108.800 -0.017 0.000 2.238 92 G HA2 -0.229 4.206 3.960 0.792 0.000 0.217 92 G HA3 -0.229 4.206 3.960 0.792 0.000 0.217 92 G C -0.322 174.334 174.900 -0.407 0.000 0.996 92 G CA -0.537 44.405 45.100 -0.263 0.000 0.632 92 G HN 0.461 nan 8.290 nan 0.000 0.503 93 F N 3.546 123.533 119.950 0.062 0.000 2.375 93 F HA 0.537 5.539 4.527 0.791 0.000 0.361 93 F C -1.681 174.197 175.800 0.130 0.000 1.117 93 F CA -2.169 55.893 58.000 0.103 0.000 1.037 93 F CB 2.370 41.453 39.000 0.138 0.000 1.192 93 F HN -0.110 nan 8.300 nan 0.000 0.452 94 P HA 0.251 nan 4.420 nan 0.000 0.282 94 P C -0.622 176.819 177.300 0.234 0.000 1.259 94 P CA -0.709 62.520 63.100 0.215 0.000 0.826 94 P CB 1.418 33.219 31.700 0.167 0.000 1.064 95 M N 0.686 120.378 119.600 0.152 0.000 2.245 95 M HA 0.379 5.334 4.480 0.792 0.000 0.330 95 M C -0.469 175.884 176.300 0.088 0.000 1.098 95 M CA 0.619 55.990 55.300 0.119 0.000 1.172 95 M CB -0.162 32.475 32.600 0.062 0.000 1.467 95 M HN 0.050 nan 8.290 nan 0.000 0.454 96 I N 2.929 123.536 120.570 0.062 0.000 2.466 96 I HA 0.565 5.210 4.170 0.792 0.000 0.289 96 I C -2.297 173.840 176.117 0.035 0.000 1.026 96 I CA -2.224 59.079 61.300 0.005 0.000 1.078 96 I CB 1.543 39.518 38.000 -0.041 0.000 1.249 96 I HN 0.651 nan 8.210 nan 0.000 0.429 97 P HA 0.520 nan 4.420 nan 0.000 0.284 97 P C -0.804 176.418 177.300 -0.128 0.000 1.287 97 P CA -0.447 62.626 63.100 -0.044 0.000 0.824 97 P CB 1.873 33.606 31.700 0.055 0.000 1.180 98 A N 0.038 122.701 122.820 -0.262 0.000 2.246 98 A HA 0.504 5.299 4.320 0.792 0.000 0.291 98 A C 0.366 177.765 177.584 -0.308 0.000 1.103 98 A CA -0.251 51.553 52.037 -0.388 0.000 0.844 98 A CB -0.388 18.067 19.000 -0.907 0.000 1.136 98 A HN 0.515 nan 8.150 nan 0.000 0.500 99 T N -0.472 113.962 114.554 -0.199 0.000 2.910 99 T HA 0.372 5.197 4.350 0.792 0.000 0.293 99 T C -0.875 173.858 174.700 0.056 0.000 1.015 99 T CA 0.018 62.089 62.100 -0.047 0.000 1.094 99 T CB -0.024 68.826 68.868 -0.030 0.000 0.968 99 T HN 0.375 nan 8.240 nan 0.000 0.521 100 W N 5.737 127.064 121.300 0.045 0.000 2.316 100 W HA 0.371 5.505 4.660 0.791 0.000 0.311 100 W C -1.807 174.758 176.519 0.076 0.000 1.217 100 W CA -2.011 55.400 57.345 0.111 0.000 1.199 100 W CB 0.580 30.115 29.460 0.126 0.000 1.202 100 W HN 0.490 nan 8.180 nan 0.000 0.528 101 P HA 0.015 nan 4.420 nan 0.000 0.271 101 P C -0.580 176.806 177.300 0.144 0.000 1.216 101 P CA -0.316 62.864 63.100 0.133 0.000 0.771 101 P CB 1.080 32.812 31.700 0.053 0.000 0.864 102 L N 3.540 124.817 121.223 0.091 0.000 2.462 102 L HA 0.106 4.921 4.340 0.792 0.000 0.272 102 L C 1.677 178.566 176.870 0.032 0.000 1.166 102 L CA 0.475 55.356 54.840 0.069 0.000 0.880 102 L CB -0.008 42.077 42.059 0.043 0.000 1.142 102 L HN 0.539 nan 8.230 nan 0.000 0.473 103 A N 2.962 125.790 122.820 0.014 0.000 2.014 103 A HA 0.080 4.875 4.320 0.792 0.000 0.218 103 A C 1.039 178.618 177.584 -0.008 0.000 1.163 103 A CA 1.089 53.129 52.037 0.006 0.000 0.652 103 A CB -0.101 18.890 19.000 -0.013 0.000 0.808 103 A HN 0.626 nan 8.150 nan 0.000 0.449 104 S N -0.273 115.412 115.700 -0.025 0.000 2.619 104 S HA 0.394 5.339 4.470 0.792 0.000 0.280 104 S C -0.274 174.309 174.600 -0.028 0.000 1.150 104 S CA -0.351 57.836 58.200 -0.023 0.000 0.978 104 S CB 0.841 64.021 63.200 -0.033 0.000 1.041 104 S HN 0.439 nan 8.310 nan 0.000 0.485 105 N N 5.610 124.301 118.700 -0.015 0.000 2.214 105 N HA 0.143 5.358 4.740 0.792 0.000 0.214 105 N C 1.066 176.585 175.510 0.016 0.000 1.132 105 N CA -0.173 52.863 53.050 -0.022 0.000 0.856 105 N CB -0.333 38.133 38.487 -0.036 0.000 1.020 105 N HN 0.607 nan 8.380 nan 0.000 0.509 106 L N 0.240 121.475 121.223 0.020 0.000 2.017 106 L HA -0.073 4.742 4.340 0.792 0.000 0.208 106 L C 2.561 179.460 176.870 0.048 0.000 1.073 106 L CA 1.371 56.240 54.840 0.047 0.000 0.745 106 L CB -0.361 41.720 42.059 0.036 0.000 0.894 106 L HN 0.244 nan 8.230 nan 0.000 0.432 107 K N 0.896 121.303 120.400 0.013 0.000 2.097 107 K HA -0.230 4.565 4.320 0.792 0.000 0.205 107 K C 2.232 178.857 176.600 0.041 0.000 1.050 107 K CA 1.372 57.664 56.287 0.009 0.000 0.938 107 K CB 0.015 32.491 32.500 -0.041 0.000 0.718 107 K HN 0.085 nan 8.250 nan 0.000 0.442 108 K N 0.675 121.094 120.400 0.032 0.000 2.032 108 K HA -0.176 4.619 4.320 0.792 0.000 0.209 108 K C 2.146 178.878 176.600 0.221 0.000 1.048 108 K CA 1.513 57.836 56.287 0.061 0.000 0.927 108 K CB 0.003 32.453 32.500 -0.084 0.000 0.712 108 K HN 0.136 nan 8.250 nan 0.000 0.441 109 R N -0.162 120.480 120.500 0.237 0.000 2.066 109 R HA -0.074 4.741 4.340 0.792 0.000 0.232 109 R C 2.457 178.879 176.300 0.203 0.000 1.131 109 R CA 1.217 57.510 56.100 0.322 0.000 0.955 109 R CB -0.368 30.091 30.300 0.266 0.000 0.851 109 R HN 0.255 nan 8.270 nan 0.000 0.432 110 A N 1.564 124.467 122.820 0.138 0.000 1.902 110 A HA -0.194 4.601 4.320 0.792 0.000 0.217 110 A C 1.516 179.151 177.584 0.087 0.000 1.181 110 A CA 1.846 53.938 52.037 0.092 0.000 0.623 110 A CB -0.404 18.633 19.000 0.062 0.000 0.818 110 A HN 0.173 nan 8.150 nan 0.000 0.443 111 D N -0.111 120.349 120.400 0.099 0.000 2.219 111 D HA 0.032 5.147 4.640 0.792 0.000 0.205 111 D C 1.723 178.090 176.300 0.112 0.000 0.970 111 D CA 1.272 55.327 54.000 0.092 0.000 0.851 111 D CB -0.213 40.641 40.800 0.090 0.000 0.943 111 D HN 0.444 nan 8.370 nan 0.000 0.488 112 A N 0.032 122.946 122.820 0.157 0.000 2.307 112 A HA 0.009 4.804 4.320 0.792 0.000 0.218 112 A C 0.352 177.970 177.584 0.056 0.000 1.228 112 A CA 0.026 52.142 52.037 0.132 0.000 0.857 112 A CB 0.092 19.216 19.000 0.206 0.000 0.897 112 A HN 0.007 nan 8.150 nan 0.000 0.495 113 D N -0.634 119.802 120.400 0.060 0.000 2.746 113 D HA -0.127 4.988 4.640 0.792 0.000 0.236 113 D C -0.540 175.770 176.300 0.016 0.000 1.129 113 D CA 0.795 54.814 54.000 0.031 0.000 0.691 113 D CB -1.036 39.774 40.800 0.016 0.000 1.077 113 D HN 0.455 nan 8.370 nan 0.000 0.432 114 L N -0.032 121.218 121.223 0.045 0.000 2.334 114 L HA 0.675 5.490 4.340 0.792 0.000 0.272 114 L C 1.030 177.958 176.870 0.095 0.000 1.020 114 L CA -0.840 54.033 54.840 0.055 0.000 0.812 114 L CB 1.553 43.657 42.059 0.075 0.000 1.264 114 L HN 0.026 nan 8.230 nan 0.000 0.439 115 A N 0.621 123.504 122.820 0.106 0.000 2.407 115 A HA 0.226 5.021 4.320 0.792 0.000 0.248 115 A C 0.215 177.897 177.584 0.163 0.000 1.082 115 A CA -0.337 51.747 52.037 0.079 0.000 0.785 115 A CB 0.135 19.135 19.000 -0.001 0.000 1.020 115 A HN 0.837 nan 8.150 nan 0.000 0.489 116 D N 0.283 120.658 120.400 -0.041 0.000 2.358 116 D HA 0.419 5.534 4.640 0.792 0.000 0.224 116 D C 0.370 176.224 176.300 -0.743 0.000 1.123 116 D CA 0.567 54.511 54.000 -0.092 0.000 0.833 116 D CB -0.065 40.726 40.800 -0.014 0.000 0.946 116 D HN 0.866 nan 8.370 nan 0.000 0.505 117 G N -0.543 107.517 108.800 -1.233 0.000 2.328 117 G HA2 0.384 4.819 3.960 0.792 0.000 0.295 117 G HA3 0.384 4.819 3.960 0.792 0.000 0.295 117 G C -3.250 170.951 174.900 -1.165 0.000 1.413 117 G CA -1.182 42.887 45.100 -1.718 0.000 0.817 117 G HN -0.141 nan 8.290 nan 0.000 0.546 118 P HA 0.196 nan 4.420 nan 0.000 0.264 118 P C 1.413 178.688 177.300 -0.042 0.000 1.193 118 P CA -0.020 62.970 63.100 -0.183 0.000 0.763 118 P CB 1.191 32.866 31.700 -0.042 0.000 0.810 119 V N 1.315 121.314 119.914 0.143 0.000 2.453 119 V HA -0.049 4.546 4.120 0.792 0.000 0.247 119 V C 0.730 176.818 176.094 -0.009 0.000 1.048 119 V CA 1.772 64.073 62.300 0.003 0.000 1.049 119 V CB -0.932 30.858 31.823 -0.054 0.000 0.672 119 V HN 0.597 nan 8.190 nan 0.000 0.457 120 S N -1.186 114.531 115.700 0.028 0.000 2.671 120 S HA 0.563 5.508 4.470 0.792 0.000 0.299 120 S C 0.509 175.110 174.600 0.002 0.000 1.116 120 S CA 0.140 58.337 58.200 -0.004 0.000 0.912 120 S CB 2.011 65.201 63.200 -0.017 0.000 1.130 120 S HN 0.241 nan 8.310 nan 0.000 0.501 121 E N 0.914 121.103 120.200 -0.017 0.000 2.204 121 E HA -0.083 4.742 4.350 0.792 0.000 0.194 121 E C 1.965 178.552 176.600 -0.022 0.000 0.989 121 E CA 1.286 57.676 56.400 -0.016 0.000 0.824 121 E CB -0.170 29.515 29.700 -0.025 0.000 0.756 121 E HN 0.645 nan 8.360 nan 0.000 0.477 122 R N 0.281 120.757 120.500 -0.041 0.000 2.080 122 R HA -0.171 4.644 4.340 0.792 0.000 0.236 122 R C 1.326 177.584 176.300 -0.071 0.000 1.137 122 R CA 2.055 58.111 56.100 -0.073 0.000 0.943 122 R CB -0.350 29.890 30.300 -0.099 0.000 0.846 122 R HN 0.174 nan 8.270 nan 0.000 0.431 123 D N 0.149 120.531 120.400 -0.031 0.000 2.104 123 D HA -0.185 4.930 4.640 0.792 0.000 0.194 123 D C 1.599 177.933 176.300 0.057 0.000 0.994 123 D CA 1.441 55.424 54.000 -0.029 0.000 0.830 123 D CB -0.649 40.254 40.800 0.172 0.000 0.959 123 D HN 0.304 nan 8.370 nan 0.000 0.452 124 N N 0.207 118.981 118.700 0.122 0.000 2.104 124 N HA -0.124 5.091 4.740 0.792 0.000 0.190 124 N C 1.722 177.295 175.510 0.104 0.000 1.024 124 N CA 0.888 54.032 53.050 0.157 0.000 0.853 124 N CB -0.293 38.233 38.487 0.065 0.000 1.008 124 N HN 0.159 nan 8.380 nan 0.000 0.424 125 L N -0.239 120.998 121.223 0.022 0.000 2.093 125 L HA -0.077 4.738 4.340 0.792 0.000 0.208 125 L C 2.212 179.062 176.870 -0.034 0.000 1.085 125 L CA 0.653 55.490 54.840 -0.005 0.000 0.755 125 L CB -0.330 41.708 42.059 -0.035 0.000 0.904 125 L HN 0.241 nan 8.230 nan 0.000 0.435 126 L N -1.565 119.594 121.223 -0.107 0.000 2.072 126 L HA -0.175 4.640 4.340 0.792 0.000 0.205 126 L C 2.486 179.256 176.870 -0.168 0.000 1.079 126 L CA 1.312 56.032 54.840 -0.201 0.000 0.752 126 L CB -0.520 41.345 42.059 -0.324 0.000 0.906 126 L HN 0.108 nan 8.230 nan 0.000 0.436 127 F N 0.214 120.156 119.950 -0.014 0.000 2.126 127 F HA -0.217 4.790 4.527 0.800 0.000 0.299 127 F C 2.767 178.585 175.800 0.030 0.000 1.096 127 F CA 1.203 59.215 58.000 0.020 0.000 1.255 127 F CB -0.237 38.783 39.000 0.034 0.000 0.997 127 F HN -0.084 nan 8.300 nan 0.000 0.479 128 R N -0.038 120.580 120.500 0.198 0.000 2.115 128 R HA -0.082 4.734 4.340 0.792 0.000 0.230 128 R C 2.383 178.726 176.300 0.072 0.000 1.111 128 R CA 0.974 57.142 56.100 0.113 0.000 0.976 128 R CB -0.598 29.748 30.300 0.077 0.000 0.870 128 R HN 0.266 nan 8.270 nan 0.000 0.445 129 A N 1.224 124.059 122.820 0.025 0.000 1.930 129 A HA -0.068 4.727 4.320 0.792 0.000 0.217 129 A C 2.352 179.929 177.584 -0.012 0.000 1.175 129 A CA 1.493 53.519 52.037 -0.019 0.000 0.627 129 A CB -0.540 18.404 19.000 -0.092 0.000 0.815 129 A HN 0.371 nan 8.150 nan 0.000 0.443 130 A N -0.405 122.421 122.820 0.010 0.000 1.908 130 A HA -0.037 4.758 4.320 0.792 0.000 0.218 130 A C 2.220 179.999 177.584 0.324 0.000 1.181 130 A CA 1.873 54.011 52.037 0.168 0.000 0.627 130 A CB -0.924 18.269 19.000 0.323 0.000 0.818 130 A HN 0.391 nan 8.150 nan 0.000 0.445 131 V N 0.142 120.203 119.914 0.245 0.000 2.295 131 V HA -0.278 4.317 4.120 0.792 0.000 0.246 131 V C 2.643 178.893 176.094 0.259 0.000 1.049 131 V CA 2.243 64.683 62.300 0.233 0.000 1.024 131 V CB -0.851 30.985 31.823 0.022 0.000 0.648 131 V HN 0.541 nan 8.190 nan 0.000 0.447 132 R N -0.205 120.396 120.500 0.168 0.000 2.081 132 R HA -0.081 4.734 4.340 0.792 0.000 0.235 132 R C 2.283 178.717 176.300 0.222 0.000 1.131 132 R CA 1.372 57.570 56.100 0.165 0.000 0.960 132 R CB -0.456 29.906 30.300 0.104 0.000 0.856 132 R HN 0.422 nan 8.270 nan 0.000 0.436 133 L N 0.087 121.455 121.223 0.241 0.000 2.109 133 L HA -0.102 4.713 4.340 0.792 0.000 0.207 133 L C 2.558 179.660 176.870 0.387 0.000 1.086 133 L CA 1.194 56.233 54.840 0.331 0.000 0.760 133 L CB -0.327 41.927 42.059 0.325 0.000 0.910 133 L HN 0.224 nan 8.230 nan 0.000 0.437 134 M N -1.237 118.586 119.600 0.372 0.000 2.200 134 M HA -0.108 4.847 4.480 0.792 0.000 0.265 134 M C 1.252 177.510 176.300 -0.071 0.000 1.066 134 M CA 1.762 57.154 55.300 0.153 0.000 1.127 134 M CB -0.026 32.633 32.600 0.098 0.000 1.379 134 M HN 0.107 nan 8.290 nan 0.000 0.420 135 F N -0.471 119.520 119.950 0.069 0.000 2.641 135 F HA 0.129 5.130 4.527 0.790 0.000 0.302 135 F C 2.201 178.088 175.800 0.146 0.000 1.098 135 F CA -0.086 57.949 58.000 0.059 0.000 1.318 135 F CB -0.457 38.480 39.000 -0.105 0.000 1.035 135 F HN 0.106 nan 8.300 nan 0.000 0.551 136 S N -1.166 114.679 115.700 0.241 0.000 2.327 136 S HA -0.018 4.927 4.470 0.792 0.000 0.213 136 S C 0.663 175.313 174.600 0.082 0.000 1.032 136 S CA 0.738 59.042 58.200 0.173 0.000 0.960 136 S CB -0.195 63.096 63.200 0.153 0.000 0.900 136 S HN 0.167 nan 8.310 nan 0.000 0.469 137 D N 2.156 122.588 120.400 0.053 0.000 2.736 137 D HA 0.408 5.523 4.640 0.792 0.000 0.293 137 D C -0.762 175.527 176.300 -0.018 0.000 1.241 137 D CA -0.075 53.930 54.000 0.008 0.000 0.965 137 D CB 0.477 41.283 40.800 0.010 0.000 0.992 137 D HN 0.357 nan 8.370 nan 0.000 0.510 138 L N 0.819 122.022 121.223 -0.033 0.000 2.397 138 L HA 0.206 5.021 4.340 0.792 0.000 0.271 138 L C 0.873 177.708 176.870 -0.058 0.000 1.148 138 L CA -0.255 54.552 54.840 -0.055 0.000 0.825 138 L CB 0.867 42.886 42.059 -0.066 0.000 1.117 138 L HN -0.091 nan 8.230 nan 0.000 0.456 139 E N 2.803 122.972 120.200 -0.052 0.000 2.166 139 E HA 0.399 5.224 4.350 0.792 0.000 0.275 139 E C -2.295 174.286 176.600 -0.032 0.000 0.941 139 E CA -2.106 54.269 56.400 -0.042 0.000 0.784 139 E CB 1.445 31.122 29.700 -0.038 0.000 1.115 139 E HN 0.283 nan 8.360 nan 0.000 0.399 140 P HA 0.108 nan 4.420 nan 0.000 0.272 140 P C -0.618 176.687 177.300 0.009 0.000 1.223 140 P CA -0.274 62.827 63.100 0.003 0.000 0.784 140 P CB 0.668 32.375 31.700 0.011 0.000 0.923 141 V N -1.609 118.321 119.914 0.027 0.000 3.216 141 V HA 0.643 5.238 4.120 0.792 0.000 0.302 141 V C -2.966 173.157 176.094 0.048 0.000 1.286 141 V CA -2.961 59.355 62.300 0.025 0.000 1.048 141 V CB 1.347 33.177 31.823 0.011 0.000 1.081 141 V HN 0.230 nan 8.190 nan 0.000 0.442 142 P HA 0.294 nan 4.420 nan 0.000 0.268 142 P C -0.471 176.878 177.300 0.081 0.000 1.205 142 P CA -0.155 62.982 63.100 0.062 0.000 0.771 142 P CB 0.468 32.201 31.700 0.055 0.000 0.858 143 L N 3.658 124.936 121.223 0.092 0.000 2.369 143 L HA 0.168 4.983 4.340 0.792 0.000 0.279 143 L C 0.142 177.095 176.870 0.137 0.000 1.108 143 L CA -0.313 54.592 54.840 0.109 0.000 0.852 143 L CB 0.119 42.228 42.059 0.085 0.000 1.169 143 L HN 0.169 nan 8.230 nan 0.000 0.452 144 K N 6.646 127.135 120.400 0.150 0.000 2.143 144 K HA 0.547 5.342 4.320 0.792 0.000 0.272 144 K C -0.638 176.061 176.600 0.166 0.000 1.001 144 K CA -0.335 56.051 56.287 0.166 0.000 0.915 144 K CB 1.951 34.575 32.500 0.206 0.000 1.047 144 K HN 0.581 nan 8.250 nan 0.000 0.458 145 I N 2.028 122.684 120.570 0.144 0.000 2.465 145 I HA 0.293 4.938 4.170 0.792 0.000 0.291 145 I C 0.177 176.311 176.117 0.029 0.000 1.014 145 I CA -1.273 60.084 61.300 0.094 0.000 1.093 145 I CB 2.010 40.059 38.000 0.083 0.000 1.267 145 I HN 0.335 nan 8.210 nan 0.000 0.431 146 R N 5.846 126.338 120.500 -0.014 0.000 2.449 146 R HA 0.137 4.952 4.340 0.792 0.000 0.296 146 R C -0.502 175.763 176.300 -0.057 0.000 1.047 146 R CA 0.059 56.135 56.100 -0.040 0.000 1.018 146 R CB 0.357 30.633 30.300 -0.039 0.000 0.962 146 R HN 0.421 nan 8.270 nan 0.000 0.428 147 K N 3.254 123.630 120.400 -0.039 0.000 2.448 147 K HA 0.158 4.953 4.320 0.792 0.000 0.278 147 K C 0.887 177.451 176.600 -0.061 0.000 1.009 147 K CA 0.908 57.175 56.287 -0.034 0.000 0.995 147 K CB 0.559 33.059 32.500 0.001 0.000 0.917 147 K HN 0.928 nan 8.250 nan 0.000 0.481 148 G N 1.488 110.246 108.800 -0.070 0.000 2.212 148 G HA2 -0.334 4.101 3.960 0.792 0.000 0.266 148 G HA3 -0.334 4.101 3.960 0.792 0.000 0.266 148 G C 0.198 175.044 174.900 -0.091 0.000 0.978 148 G CA 0.544 45.599 45.100 -0.076 0.000 0.632 148 G HN 0.724 nan 8.290 nan 0.000 0.537 149 S N -0.219 115.414 115.700 -0.111 0.000 2.576 149 S HA 0.617 5.562 4.470 0.792 0.000 0.276 149 S C 0.442 174.951 174.600 -0.151 0.000 1.339 149 S CA 0.656 58.782 58.200 -0.122 0.000 1.039 149 S CB 1.890 65.005 63.200 -0.141 0.000 0.902 149 S HN 1.488 nan 8.310 nan 0.000 0.516 150 S N 0.783 116.411 115.700 -0.119 0.000 2.586 150 S HA 0.354 5.299 4.470 0.792 0.000 0.274 150 S C 1.349 175.818 174.600 -0.219 0.000 1.281 150 S CA -0.135 57.990 58.200 -0.124 0.000 1.035 150 S CB 0.580 63.757 63.200 -0.039 0.000 0.962 150 S HN 0.996 nan 8.310 nan 0.000 0.512 151 T N 1.396 115.810 114.554 -0.234 0.000 3.148 151 T HA 0.131 4.956 4.350 0.792 0.000 0.253 151 T C 1.336 175.868 174.700 -0.280 0.000 1.134 151 T CA 0.385 62.361 62.100 -0.208 0.000 1.051 151 T CB -1.510 67.331 68.868 -0.045 0.000 0.959 151 T HN 0.782 nan 8.240 nan 0.000 0.525 152 C N 0.312 119.267 119.300 -0.575 0.000 0.168 152 C HA -0.248 4.687 4.460 0.792 0.000 0.017 152 C C 1.106 175.250 174.990 -1.410 0.000 0.171 152 C CA -0.641 57.635 59.018 -1.236 0.000 0.499 152 C CB -1.599 25.840 27.740 -0.502 0.000 3.212 152 C HN 0.741 nan 8.230 nan 0.000 1.118 153 I N 3.822 123.869 120.570 -0.873 0.000 2.683 153 I HA 0.105 4.750 4.170 0.792 0.000 0.286 153 I C -0.919 175.002 176.117 -0.326 0.000 1.175 153 I CA -0.118 60.894 61.300 -0.480 0.000 1.429 153 I CB 0.617 38.455 38.000 -0.270 0.000 1.371 153 I HN 0.579 nan 8.210 nan 0.000 0.569 154 P HA 0.039 nan 4.420 nan 0.000 0.272 154 P C 0.742 177.945 177.300 -0.161 0.000 1.276 154 P CA 0.527 63.439 63.100 -0.314 0.000 0.871 154 P CB 0.345 31.804 31.700 -0.402 0.000 1.313 155 Y N -0.892 119.412 120.300 0.006 0.000 2.397 155 Y HA 0.237 5.262 4.550 0.792 0.000 0.292 155 Y C 0.902 176.916 175.900 0.190 0.000 1.115 155 Y CA -0.025 58.127 58.100 0.086 0.000 1.208 155 Y CB -1.055 37.413 38.460 0.013 0.000 1.046 155 Y HN -0.284 nan 8.280 nan 0.000 0.552 156 F N 0.341 120.345 119.950 0.091 0.000 3.074 156 F HA -0.259 4.743 4.527 0.792 0.000 0.287 156 F C 0.669 176.479 175.800 0.016 0.000 0.932 156 F CA 0.530 58.534 58.000 0.006 0.000 0.995 156 F CB -1.622 37.357 39.000 -0.034 0.000 0.966 156 F HN -0.012 nan 8.300 nan 0.000 0.721 157 S N -0.029 115.726 115.700 0.092 0.000 2.585 157 S HA 0.564 5.509 4.470 0.792 0.000 0.277 157 S C 0.825 175.409 174.600 -0.027 0.000 1.241 157 S CA -0.268 57.956 58.200 0.040 0.000 1.041 157 S CB 1.022 64.229 63.200 0.011 0.000 0.987 157 S HN 0.323 nan 8.310 nan 0.000 0.512 158 N N 1.985 120.667 118.700 -0.029 0.000 2.177 158 N HA 0.191 5.406 4.740 0.792 0.000 0.218 158 N C -1.222 174.247 175.510 -0.068 0.000 1.182 158 N CA -0.265 52.749 53.050 -0.059 0.000 0.882 158 N CB 0.475 38.940 38.487 -0.037 0.000 1.052 158 N HN 0.668 nan 8.380 nan 0.000 0.519 159 D N 0.298 120.660 120.400 -0.063 0.000 2.317 159 D HA 0.076 5.191 4.640 0.792 0.000 0.252 159 D C 1.204 177.451 176.300 -0.088 0.000 1.174 159 D CA -0.313 53.647 54.000 -0.066 0.000 0.866 159 D CB 0.793 41.559 40.800 -0.056 0.000 1.127 159 D HN -0.146 nan 8.370 nan 0.000 0.467 160 M N 3.809 123.352 119.600 -0.095 0.000 2.149 160 M HA 0.044 4.999 4.480 0.792 0.000 0.261 160 M C 1.808 178.020 176.300 -0.147 0.000 1.064 160 M CA 2.010 57.232 55.300 -0.130 0.000 1.102 160 M CB -0.718 31.794 32.600 -0.147 0.000 1.369 160 M HN 0.537 nan 8.290 nan 0.000 0.408 161 G N -1.655 107.071 108.800 -0.123 0.000 2.418 161 G HA2 -0.191 4.244 3.960 0.792 0.000 0.217 161 G HA3 -0.191 4.244 3.960 0.792 0.000 0.217 161 G C 1.428 176.278 174.900 -0.082 0.000 1.158 161 G CA 1.375 46.410 45.100 -0.109 0.000 0.771 161 G HN 0.499 nan 8.290 nan 0.000 0.545 162 T N 0.838 115.346 114.554 -0.078 0.000 2.746 162 T HA -0.048 4.777 4.350 0.792 0.000 0.267 162 T C 2.324 177.003 174.700 -0.035 0.000 1.039 162 T CA 1.284 63.340 62.100 -0.074 0.000 1.142 162 T CB -0.125 68.691 68.868 -0.088 0.000 0.866 162 T HN 0.265 nan 8.240 nan 0.000 0.444 163 K N 0.544 120.918 120.400 -0.042 0.000 2.097 163 K HA -0.009 4.786 4.320 0.792 0.000 0.206 163 K C 2.187 178.868 176.600 0.134 0.000 1.049 163 K CA 0.880 57.173 56.287 0.011 0.000 0.933 163 K CB -0.221 32.183 32.500 -0.161 0.000 0.717 163 K HN 0.270 nan 8.250 nan 0.000 0.442 164 I N 1.795 122.381 120.570 0.027 0.000 2.202 164 I HA -0.213 4.432 4.170 0.792 0.000 0.242 164 I C 2.051 178.191 176.117 0.038 0.000 1.091 164 I CA 1.542 62.862 61.300 0.034 0.000 1.368 164 I CB -1.002 36.966 38.000 -0.053 0.000 1.058 164 I HN 0.233 nan 8.210 nan 0.000 0.410 165 E N 0.798 121.002 120.200 0.006 0.000 2.051 165 E HA -0.199 4.626 4.350 0.792 0.000 0.192 165 E C 2.372 178.977 176.600 0.009 0.000 0.991 165 E CA 1.157 57.553 56.400 -0.006 0.000 0.799 165 E CB -0.112 29.567 29.700 -0.035 0.000 0.748 165 E HN 0.418 nan 8.360 nan 0.000 0.449 166 I N 1.106 121.704 120.570 0.047 0.000 2.163 166 I HA -0.304 4.341 4.170 0.792 0.000 0.243 166 I C 2.531 178.654 176.117 0.010 0.000 1.085 166 I CA 1.075 62.419 61.300 0.073 0.000 1.347 166 I CB -0.278 37.848 38.000 0.211 0.000 1.044 166 I HN 0.108 nan 8.210 nan 0.000 0.408 167 A N 0.290 123.140 122.820 0.051 0.000 1.898 167 A HA -0.213 4.582 4.320 0.792 0.000 0.216 167 A C 2.188 179.706 177.584 -0.110 0.000 1.181 167 A CA 1.644 53.617 52.037 -0.106 0.000 0.620 167 A CB -0.533 18.500 19.000 0.055 0.000 0.819 167 A HN 0.458 nan 8.150 nan 0.000 0.442 168 E N -0.958 119.217 120.200 -0.042 0.000 2.072 168 E HA -0.185 4.640 4.350 0.792 0.000 0.190 168 E C 2.264 178.829 176.600 -0.058 0.000 0.982 168 E CA 1.125 57.497 56.400 -0.047 0.000 0.803 168 E CB -0.133 29.560 29.700 -0.013 0.000 0.755 168 E HN 0.480 nan 8.360 nan 0.000 0.453 169 R N 1.523 121.996 120.500 -0.045 0.000 2.081 169 R HA -0.092 4.723 4.340 0.792 0.000 0.235 169 R C 2.012 178.271 176.300 -0.069 0.000 1.131 169 R CA 1.685 57.763 56.100 -0.037 0.000 0.960 169 R CB -0.676 29.618 30.300 -0.010 0.000 0.856 169 R HN 0.138 nan 8.270 nan 0.000 0.436 170 A N 0.624 123.383 122.820 -0.102 0.000 1.902 170 A HA -0.082 4.713 4.320 0.792 0.000 0.217 170 A C 2.260 179.736 177.584 -0.180 0.000 1.181 170 A CA 1.540 53.491 52.037 -0.143 0.000 0.623 170 A CB -0.633 18.240 19.000 -0.211 0.000 0.818 170 A HN 0.364 nan 8.150 nan 0.000 0.443 171 L N -0.882 120.193 121.223 -0.247 0.000 2.201 171 L HA -0.163 4.652 4.340 0.792 0.000 0.212 171 L C 2.603 179.461 176.870 -0.019 0.000 1.105 171 L CA 1.664 56.299 54.840 -0.343 0.000 0.775 171 L CB -0.483 41.327 42.059 -0.416 0.000 0.913 171 L HN 0.612 nan 8.230 nan 0.000 0.440 172 E N 0.298 120.471 120.200 -0.045 0.000 2.158 172 E HA -0.151 4.674 4.350 0.792 0.000 0.191 172 E C 1.378 177.916 176.600 -0.104 0.000 0.982 172 E CA 0.725 57.108 56.400 -0.029 0.000 0.823 172 E CB 0.405 30.084 29.700 -0.035 0.000 0.766 172 E HN 0.196 nan 8.360 nan 0.000 0.468 173 K N -0.343 119.952 120.400 -0.175 0.000 2.373 173 K HA 0.231 5.026 4.320 0.792 0.000 0.202 173 K C 1.283 177.646 176.600 -0.394 0.000 1.025 173 K CA 0.459 56.526 56.287 -0.367 0.000 1.115 173 K CB 1.017 33.176 32.500 -0.568 0.000 0.858 173 K HN 0.087 nan 8.250 nan 0.000 0.525 174 A N 1.571 124.285 122.820 -0.177 0.000 1.908 174 A HA -0.230 4.565 4.320 0.792 0.000 0.218 174 A C 2.196 179.623 177.584 -0.261 0.000 1.181 174 A CA 1.904 53.929 52.037 -0.020 0.000 0.627 174 A CB -0.318 18.946 19.000 0.441 0.000 0.818 174 A HN 0.445 nan 8.150 nan 0.000 0.445 175 E N -0.442 119.255 120.200 -0.838 0.000 2.058 175 E HA -0.267 4.558 4.350 0.792 0.000 0.194 175 E C 2.062 178.256 176.600 -0.678 0.000 0.997 175 E CA 1.487 56.953 56.400 -1.557 0.000 0.801 175 E CB -0.195 28.542 29.700 -1.605 0.000 0.746 175 E HN 0.750 nan 8.360 nan 0.000 0.450 176 E N -0.410 119.512 120.200 -0.463 0.000 2.110 176 E HA -0.202 4.623 4.350 0.792 0.000 0.193 176 E C 1.874 178.383 176.600 -0.152 0.000 0.988 176 E CA 0.914 57.153 56.400 -0.268 0.000 0.804 176 E CB -0.101 29.453 29.700 -0.244 0.000 0.745 176 E HN 0.351 nan 8.360 nan 0.000 0.458 177 A N 0.640 123.351 122.820 -0.183 0.000 1.898 177 A HA -0.043 4.752 4.320 0.792 0.000 0.216 177 A C 2.410 180.011 177.584 0.028 0.000 1.181 177 A CA 1.518 53.552 52.037 -0.005 0.000 0.620 177 A CB -1.069 17.933 19.000 0.003 0.000 0.819 177 A HN 0.430 nan 8.150 nan 0.000 0.442 178 G N 0.040 108.889 108.800 0.083 0.000 2.418 178 G HA2 -0.268 4.167 3.960 0.792 0.000 0.217 178 G HA3 -0.268 4.167 3.960 0.792 0.000 0.217 178 G C 1.412 176.393 174.900 0.136 0.000 1.158 178 G CA 1.080 46.300 45.100 0.200 0.000 0.771 178 G HN 0.512 nan 8.290 nan 0.000 0.545 179 N N 0.471 119.223 118.700 0.087 0.000 2.188 179 N HA -0.012 5.203 4.740 0.792 0.000 0.184 179 N C 2.296 177.796 175.510 -0.017 0.000 1.018 179 N CA 0.566 53.648 53.050 0.053 0.000 0.858 179 N CB -0.333 38.161 38.487 0.011 0.000 0.989 179 N HN 0.289 nan 8.380 nan 0.000 0.426 180 L N 0.557 121.754 121.223 -0.044 0.000 2.042 180 L HA -0.109 4.706 4.340 0.792 0.000 0.210 180 L C 2.377 179.115 176.870 -0.220 0.000 1.076 180 L CA 1.024 55.810 54.840 -0.089 0.000 0.749 180 L CB -0.295 41.733 42.059 -0.051 0.000 0.893 180 L HN 0.161 nan 8.230 nan 0.000 0.432 181 M N -0.836 118.605 119.600 -0.266 0.000 2.117 181 M HA -0.226 4.729 4.480 0.792 0.000 0.262 181 M C 2.275 178.335 176.300 -0.400 0.000 1.065 181 M CA 1.672 56.613 55.300 -0.599 0.000 1.114 181 M CB -0.350 32.053 32.600 -0.329 0.000 1.361 181 M HN 0.238 nan 8.290 nan 0.000 0.408 182 L N -0.172 120.975 121.223 -0.126 0.000 2.187 182 L HA -0.234 4.581 4.340 0.792 0.000 0.213 182 L C 1.990 178.831 176.870 -0.049 0.000 1.100 182 L CA 1.267 56.090 54.840 -0.028 0.000 0.765 182 L CB -0.456 41.630 42.059 0.044 0.000 0.904 182 L HN 0.414 nan 8.230 nan 0.000 0.437 183 Q N -0.717 119.025 119.800 -0.096 0.000 2.403 183 Q HA 0.116 4.931 4.340 0.792 0.000 0.203 183 Q C 1.404 177.350 176.000 -0.089 0.000 0.932 183 Q CA 0.516 56.279 55.803 -0.067 0.000 0.945 183 Q CB 0.558 29.263 28.738 -0.055 0.000 1.045 183 Q HN 0.539 nan 8.270 nan 0.000 0.511 184 G N 1.613 110.296 108.800 -0.196 0.000 2.159 184 G HA2 -0.307 4.128 3.960 0.792 0.000 0.256 184 G HA3 -0.307 4.128 3.960 0.792 0.000 0.256 184 G C 0.111 174.905 174.900 -0.176 0.000 0.977 184 G CA -0.031 44.994 45.100 -0.124 0.000 0.652 184 G HN 0.261 nan 8.290 nan 0.000 0.531 185 K N 0.513 120.737 120.400 -0.292 0.000 2.518 185 K HA 0.467 5.262 4.320 0.792 0.000 0.244 185 K C 0.958 177.436 176.600 -0.203 0.000 1.232 185 K CA -0.646 55.546 56.287 -0.159 0.000 1.189 185 K CB -0.263 32.179 32.500 -0.096 0.000 1.737 185 K HN 0.294 nan 8.250 nan 0.000 0.333 186 F N 0.667 120.640 119.950 0.038 0.000 2.146 186 F HA -0.183 4.819 4.527 0.791 0.000 0.298 186 F C 1.804 177.640 175.800 0.059 0.000 1.096 186 F CA 1.053 59.078 58.000 0.042 0.000 1.275 186 F CB 0.056 39.066 39.000 0.017 0.000 1.008 186 F HN 0.323 nan 8.300 nan 0.000 0.480 187 D N 0.258 120.781 120.400 0.205 0.000 2.144 187 D HA -0.152 4.963 4.640 0.792 0.000 0.199 187 D C 1.743 178.116 176.300 0.121 0.000 0.984 187 D CA 1.339 55.433 54.000 0.157 0.000 0.834 187 D CB -0.468 40.391 40.800 0.098 0.000 0.955 187 D HN 0.214 nan 8.370 nan 0.000 0.465 188 D N 0.429 120.865 120.400 0.060 0.000 2.097 188 D HA -0.081 5.034 4.640 0.792 0.000 0.195 188 D C 2.041 178.340 176.300 -0.002 0.000 0.989 188 D CA 1.439 55.444 54.000 0.007 0.000 0.827 188 D CB -0.393 40.399 40.800 -0.013 0.000 0.966 188 D HN 0.124 nan 8.370 nan 0.000 0.456 189 A N -0.147 122.698 122.820 0.042 0.000 1.940 189 A HA -0.230 4.565 4.320 0.792 0.000 0.219 189 A C 2.199 179.837 177.584 0.092 0.000 1.176 189 A CA 1.406 53.499 52.037 0.094 0.000 0.631 189 A CB -1.000 18.055 19.000 0.092 0.000 0.814 189 A HN 0.371 nan 8.150 nan 0.000 0.446 190 Y N 0.420 120.722 120.300 0.005 0.000 2.163 190 Y HA -0.174 4.851 4.550 0.792 0.000 0.288 190 Y C 2.477 178.331 175.900 -0.076 0.000 1.136 190 Y CA 2.148 60.231 58.100 -0.028 0.000 1.147 190 Y CB -0.501 37.941 38.460 -0.029 0.000 0.987 190 Y HN 0.435 nan 8.280 nan 0.000 0.509 191 Q N -0.226 119.465 119.800 -0.183 0.000 2.124 191 Q HA -0.148 4.667 4.340 0.792 0.000 0.202 191 Q C 2.230 178.043 176.000 -0.312 0.000 0.977 191 Q CA 1.853 57.496 55.803 -0.265 0.000 0.850 191 Q CB -0.106 28.575 28.738 -0.095 0.000 0.901 191 Q HN 0.505 nan 8.270 nan 0.000 0.429 192 L N -0.883 120.130 121.223 -0.350 0.000 2.162 192 L HA -0.062 4.753 4.340 0.792 0.000 0.205 192 L C 1.420 177.855 176.870 -0.726 0.000 1.086 192 L CA 0.720 55.210 54.840 -0.583 0.000 0.778 192 L CB 0.036 41.600 42.059 -0.824 0.000 0.928 192 L HN 0.329 nan 8.230 nan 0.000 0.446 193 H N -1.077 117.922 119.070 -0.118 0.000 3.078 193 H HA 0.201 5.232 4.556 0.792 0.000 0.263 193 H C 0.075 175.327 175.328 -0.127 0.000 1.177 193 H CA -0.123 55.868 56.048 -0.095 0.000 1.128 193 H CB 0.780 30.505 29.762 -0.062 0.000 1.623 193 H HN 0.117 nan 8.280 nan 0.000 0.592 194 Q N 0.071 119.742 119.800 -0.215 0.000 2.480 194 Q HA -0.180 4.635 4.340 0.792 0.000 0.265 194 Q C -0.309 175.673 176.000 -0.031 0.000 1.072 194 Q CA 0.755 56.358 55.803 -0.333 0.000 1.018 194 Q CB -1.952 26.629 28.738 -0.261 0.000 1.433 194 Q HN 0.476 nan 8.270 nan 0.000 0.513 195 M N -0.029 119.618 119.600 0.078 0.000 2.055 195 M HA 0.561 5.516 4.480 0.792 0.000 0.346 195 M C 0.829 177.257 176.300 0.212 0.000 1.074 195 M CA 0.345 55.713 55.300 0.114 0.000 1.009 195 M CB 1.193 33.849 32.600 0.094 0.000 1.423 195 M HN 0.412 nan 8.290 nan 0.000 0.410 196 G N 1.162 110.068 108.800 0.178 0.000 2.247 196 G HA2 0.359 4.794 3.960 0.792 0.000 0.229 196 G HA3 0.359 4.794 3.960 0.792 0.000 0.229 196 G C -0.098 174.722 174.900 -0.133 0.000 1.345 196 G CA -0.054 45.096 45.100 0.084 0.000 1.100 196 G HN 1.063 nan 8.290 nan 0.000 0.473 197 G N -0.374 108.123 108.800 -0.505 0.000 2.779 197 G HA2 0.409 4.844 3.960 0.792 0.000 0.284 197 G HA3 0.409 4.844 3.960 0.792 0.000 0.284 197 G C 0.807 175.479 174.900 -0.381 0.000 1.326 197 G CA 2.412 47.050 45.100 -0.769 0.000 0.983 197 G HN 2.949 nan 8.290 nan 0.000 0.555 198 A N -2.348 120.293 122.820 -0.298 0.000 2.566 198 A HA 0.698 5.493 4.320 0.792 0.000 0.290 198 A C -1.283 176.179 177.584 -0.204 0.000 1.071 198 A CA -0.198 51.734 52.037 -0.175 0.000 0.658 198 A CB 0.344 19.334 19.000 -0.018 0.000 1.285 198 A HN 1.482 nan 8.150 nan 0.000 0.427 199 Y N -0.414 119.914 120.300 0.048 0.000 2.301 199 Y HA 0.486 5.511 4.550 0.792 0.000 0.325 199 Y C -0.218 175.796 175.900 0.190 0.000 1.203 199 Y CA 0.594 58.740 58.100 0.076 0.000 1.255 199 Y CB 1.127 39.604 38.460 0.029 0.000 1.232 199 Y HN 0.621 nan 8.280 nan 0.000 0.501 200 Y N 2.354 122.802 120.300 0.246 0.000 2.342 200 Y HA 0.515 5.539 4.550 0.792 0.000 0.338 200 Y C -0.855 175.162 175.900 0.196 0.000 0.965 200 Y CA -1.150 57.132 58.100 0.303 0.000 1.159 200 Y CB 0.561 39.246 38.460 0.375 0.000 1.157 200 Y HN 0.326 nan 8.280 nan 0.000 0.486 201 V N 8.012 127.758 119.914 -0.280 0.000 2.470 201 V HA 0.276 4.871 4.120 0.792 0.000 0.276 201 V C -0.276 175.449 176.094 -0.614 0.000 1.040 201 V CA -0.294 61.749 62.300 -0.427 0.000 1.008 201 V CB 0.406 31.928 31.823 -0.502 0.000 0.990 201 V HN 0.629 nan 8.190 nan 0.000 0.477 202 V N 3.354 123.014 119.914 -0.424 0.000 2.540 202 V HA 0.605 5.200 4.120 0.792 0.000 0.302 202 V C -1.050 174.823 176.094 -0.368 0.000 1.035 202 V CA -1.038 61.087 62.300 -0.292 0.000 0.873 202 V CB 1.336 33.173 31.823 0.023 0.000 0.992 202 V HN 0.583 nan 8.190 nan 0.000 0.428 203 Y N 3.798 124.065 120.300 -0.055 0.000 2.336 203 Y HA 0.647 5.672 4.550 0.791 0.000 0.335 203 Y C 0.940 176.817 175.900 -0.038 0.000 1.046 203 Y CA -0.324 57.742 58.100 -0.056 0.000 1.198 203 Y CB 1.049 39.469 38.460 -0.067 0.000 1.182 203 Y HN 0.569 nan 8.280 nan 0.000 0.502 204 R N 1.800 122.354 120.500 0.091 0.000 2.732 204 R HA 0.785 5.600 4.340 0.792 0.000 0.278 204 R C -0.649 175.630 176.300 -0.035 0.000 0.976 204 R CA -1.235 54.868 56.100 0.005 0.000 0.963 204 R CB 1.761 32.056 30.300 -0.007 0.000 1.150 204 R HN 0.731 nan 8.270 nan 0.000 0.478 205 A N 1.820 124.566 122.820 -0.123 0.000 2.363 205 A HA 0.103 4.898 4.320 0.792 0.000 0.270 205 A C -0.221 177.285 177.584 -0.131 0.000 1.121 205 A CA -0.203 51.760 52.037 -0.122 0.000 0.800 205 A CB 0.665 19.571 19.000 -0.157 0.000 1.052 205 A HN 0.496 nan 8.150 nan 0.000 0.493 206 Q N 2.219 121.954 119.800 -0.109 0.000 2.506 206 Q HA 0.186 5.001 4.340 0.792 0.000 0.242 206 Q C 0.999 176.911 176.000 -0.146 0.000 1.060 206 Q CA 0.292 56.027 55.803 -0.113 0.000 0.826 206 Q CB 1.009 29.690 28.738 -0.095 0.000 1.169 206 Q HN 0.999 nan 8.270 nan 0.000 0.521 207 S N 1.361 116.987 115.700 -0.124 0.000 2.440 207 S HA -0.081 4.864 4.470 0.792 0.000 0.238 207 S C 0.844 175.343 174.600 -0.169 0.000 1.010 207 S CA 1.261 59.398 58.200 -0.106 0.000 0.972 207 S CB -0.264 62.924 63.200 -0.019 0.000 0.774 207 S HN 0.598 nan 8.310 nan 0.000 0.501 208 T N -1.190 113.273 114.554 -0.151 0.000 2.861 208 T HA 0.708 5.533 4.350 0.792 0.000 0.287 208 T C -1.480 173.137 174.700 -0.138 0.000 1.003 208 T CA -0.810 61.226 62.100 -0.106 0.000 0.977 208 T CB 2.166 71.072 68.868 0.063 0.000 0.996 208 T HN 0.099 nan 8.240 nan 0.000 0.448 209 D N 0.587 120.947 120.400 -0.067 0.000 2.609 209 D HA 0.573 5.688 4.640 0.792 0.000 0.239 209 D C -0.387 175.995 176.300 0.136 0.000 1.229 209 D CA -0.447 53.551 54.000 -0.003 0.000 0.808 209 D CB 2.140 42.897 40.800 -0.072 0.000 1.448 209 D HN 0.941 nan 8.370 nan 0.000 0.433 210 A N 1.728 124.586 122.820 0.064 0.000 2.565 210 A HA 0.441 5.236 4.320 0.792 0.000 0.237 210 A C -0.028 177.582 177.584 0.043 0.000 1.053 210 A CA 0.537 52.611 52.037 0.062 0.000 0.755 210 A CB -0.162 18.852 19.000 0.024 0.000 0.980 210 A HN 0.478 nan 8.150 nan 0.000 0.506 211 I N 1.521 122.143 120.570 0.088 0.000 2.692 211 I HA 0.406 5.051 4.170 0.792 0.000 0.293 211 I C 0.106 176.366 176.117 0.238 0.000 1.200 211 I CA -0.385 60.949 61.300 0.057 0.000 1.036 211 I CB 2.862 40.875 38.000 0.021 0.000 1.258 211 I HN 0.836 nan 8.210 nan 0.000 0.421 212 T N 2.809 117.468 114.554 0.174 0.000 2.916 212 T HA 0.738 5.563 4.350 0.792 0.000 0.292 212 T C -1.033 173.715 174.700 0.080 0.000 1.064 212 T CA -0.817 61.419 62.100 0.226 0.000 1.011 212 T CB 2.300 71.234 68.868 0.110 0.000 1.152 212 T HN 0.330 nan 8.240 nan 0.000 0.510 213 L N 1.853 123.066 121.223 -0.017 0.000 2.319 213 L HA 0.497 5.312 4.340 0.792 0.000 0.281 213 L C -0.641 176.113 176.870 -0.194 0.000 1.005 213 L CA -0.412 54.190 54.840 -0.397 0.000 0.828 213 L CB 1.190 42.868 42.059 -0.635 0.000 1.227 213 L HN 0.801 nan 8.230 nan 0.000 0.415 214 D N 6.956 127.238 120.400 -0.197 0.000 2.342 214 D HA 0.141 5.256 4.640 0.792 0.000 0.260 214 D C -1.782 174.449 176.300 -0.116 0.000 1.278 214 D CA -1.735 52.198 54.000 -0.111 0.000 0.910 214 D CB 1.671 42.421 40.800 -0.085 0.000 1.079 214 D HN 0.402 nan 8.370 nan 0.000 0.496 215 P HA -0.192 nan 4.420 nan 0.000 0.216 215 P C 1.076 178.340 177.300 -0.060 0.000 1.157 215 P CA 1.625 64.688 63.100 -0.062 0.000 0.880 215 P CB 0.327 32.007 31.700 -0.033 0.000 0.791 216 K N -0.796 119.575 120.400 -0.049 0.000 1.978 216 K HA -0.129 4.666 4.320 0.792 0.000 0.214 216 K C 2.245 178.816 176.600 -0.049 0.000 1.049 216 K CA 2.327 58.590 56.287 -0.041 0.000 0.939 216 K CB -1.250 31.232 32.500 -0.031 0.000 0.721 216 K HN 0.293 nan 8.250 nan 0.000 0.441 217 T N -2.676 111.843 114.554 -0.057 0.000 3.023 217 T HA 0.085 4.910 4.350 0.792 0.000 0.266 217 T C 1.524 176.173 174.700 -0.085 0.000 1.093 217 T CA 0.773 62.838 62.100 -0.059 0.000 1.129 217 T CB -0.037 68.802 68.868 -0.049 0.000 0.899 217 T HN 0.446 nan 8.240 nan 0.000 0.491 218 G N 1.433 110.155 108.800 -0.129 0.000 2.155 218 G HA2 -0.215 4.220 3.960 0.792 0.000 0.257 218 G HA3 -0.215 4.220 3.960 0.792 0.000 0.257 218 G C -0.013 174.734 174.900 -0.255 0.000 0.983 218 G CA 0.211 45.201 45.100 -0.184 0.000 0.676 218 G HN 0.619 nan 8.290 nan 0.000 0.528 219 K N -0.468 119.804 120.400 -0.214 0.000 2.118 219 K HA 0.671 5.466 4.320 0.792 0.000 0.254 219 K C -0.050 176.405 176.600 -0.243 0.000 0.961 219 K CA -0.800 55.394 56.287 -0.156 0.000 0.876 219 K CB 1.001 33.481 32.500 -0.032 0.000 1.077 219 K HN 0.053 nan 8.250 nan 0.000 0.440 220 F N 0.341 120.273 119.950 -0.030 0.000 2.371 220 F HA 0.285 5.286 4.527 0.791 0.000 0.329 220 F C 0.450 176.319 175.800 0.114 0.000 1.107 220 F CA -0.579 57.411 58.000 -0.015 0.000 1.137 220 F CB 1.150 40.152 39.000 0.003 0.000 1.214 220 F HN -0.037 nan 8.300 nan 0.000 0.536 221 V N 1.967 121.988 119.914 0.178 0.000 2.483 221 V HA 0.335 4.930 4.120 0.792 0.000 0.297 221 V C -0.593 175.351 176.094 -0.251 0.000 1.027 221 V CA -0.993 61.310 62.300 0.005 0.000 0.855 221 V CB 1.689 33.508 31.823 -0.007 0.000 0.995 221 V HN 0.815 nan 8.190 nan 0.000 0.424 222 S N 3.725 119.043 115.700 -0.636 0.000 2.586 222 S HA 0.501 5.446 4.470 0.792 0.000 0.274 222 S C -0.248 174.172 174.600 -0.301 0.000 1.281 222 S CA -0.717 57.047 58.200 -0.726 0.000 1.035 222 S CB 1.125 63.570 63.200 -1.259 0.000 0.962 222 S HN 0.718 nan 8.310 nan 0.000 0.512 223 K N 1.289 121.582 120.400 -0.178 0.000 2.412 223 K HA 0.034 4.829 4.320 0.792 0.000 0.281 223 K C -0.828 175.724 176.600 -0.081 0.000 1.027 223 K CA -0.205 56.027 56.287 -0.092 0.000 0.989 223 K CB 0.100 32.569 32.500 -0.051 0.000 0.935 223 K HN 0.582 nan 8.250 nan 0.000 0.475 224 D N 3.479 123.844 120.400 -0.059 0.000 2.389 224 D HA 0.109 5.224 4.640 0.792 0.000 0.247 224 D C -0.241 176.030 176.300 -0.049 0.000 1.128 224 D CA 0.264 54.236 54.000 -0.046 0.000 0.884 224 D CB 0.702 41.485 40.800 -0.028 0.000 1.194 224 D HN 0.271 nan 8.370 nan 0.000 0.441 225 R N 2.520 122.984 120.500 -0.059 0.000 2.360 225 R HA 0.313 5.128 4.340 0.792 0.000 0.318 225 R C -0.194 176.034 176.300 -0.120 0.000 0.950 225 R CA -0.809 55.247 56.100 -0.074 0.000 0.837 225 R CB 1.169 31.429 30.300 -0.066 0.000 1.165 225 R HN 0.361 nan 8.270 nan 0.000 0.458 226 M N 3.219 122.741 119.600 -0.130 0.000 2.217 226 M HA 0.234 5.189 4.480 0.792 0.000 0.354 226 M C 0.448 176.578 176.300 -0.284 0.000 1.225 226 M CA -0.524 54.654 55.300 -0.203 0.000 1.137 226 M CB 0.717 33.225 32.600 -0.153 0.000 1.576 226 M HN 0.344 nan 8.290 nan 0.000 0.461 227 V N 0.176 119.799 119.914 -0.486 0.000 2.914 227 V HA 1.013 5.608 4.120 0.792 0.000 0.314 227 V C -0.467 175.285 176.094 -0.571 0.000 1.084 227 V CA -1.237 60.768 62.300 -0.491 0.000 0.963 227 V CB 1.590 33.103 31.823 -0.517 0.000 1.025 227 V HN 0.933 nan 8.190 nan 0.000 0.432 228 A N 2.490 125.126 122.820 -0.307 0.000 2.305 228 A HA 0.791 5.586 4.320 0.792 0.000 0.322 228 A C -0.241 177.416 177.584 0.122 0.000 1.187 228 A CA -0.339 51.567 52.037 -0.219 0.000 0.825 228 A CB 0.571 19.484 19.000 -0.145 0.000 1.164 228 A HN 1.176 nan 8.150 nan 0.000 0.498 229 D N 0.739 121.280 120.400 0.235 0.000 2.451 229 D HA 0.189 5.304 4.640 0.792 0.000 0.259 229 D C 0.764 177.039 176.300 -0.041 0.000 1.201 229 D CA -0.691 53.466 54.000 0.262 0.000 1.028 229 D CB 0.079 41.048 40.800 0.281 0.000 1.095 229 D HN 0.361 nan 8.370 nan 0.000 0.539 230 F N 0.227 119.752 119.950 -0.707 0.000 2.126 230 F HA -0.203 4.799 4.527 0.792 0.000 0.299 230 F C 1.995 177.558 175.800 -0.395 0.000 1.096 230 F CA 1.625 59.011 58.000 -1.022 0.000 1.255 230 F CB 0.033 38.165 39.000 -1.446 0.000 0.997 230 F HN 0.197 nan 8.300 nan 0.000 0.479 231 E N -0.238 119.785 120.200 -0.295 0.000 2.058 231 E HA -0.284 4.541 4.350 0.792 0.000 0.194 231 E C 2.089 178.548 176.600 -0.235 0.000 0.997 231 E CA 1.705 57.926 56.400 -0.298 0.000 0.801 231 E CB -1.031 28.632 29.700 -0.061 0.000 0.746 231 E HN 0.667 nan 8.360 nan 0.000 0.450 232 Y N 0.969 121.156 120.300 -0.190 0.000 2.181 232 Y HA -0.250 4.774 4.550 0.791 0.000 0.288 232 Y C 2.278 178.085 175.900 -0.156 0.000 1.146 232 Y CA 1.880 59.909 58.100 -0.119 0.000 1.164 232 Y CB -0.200 38.243 38.460 -0.028 0.000 0.982 232 Y HN 0.050 nan 8.280 nan 0.000 0.515 233 A N -0.372 122.486 122.820 0.063 0.000 1.902 233 A HA -0.192 4.603 4.320 0.792 0.000 0.217 233 A C 2.163 179.650 177.584 -0.162 0.000 1.181 233 A CA 2.304 54.354 52.037 0.020 0.000 0.623 233 A CB -1.492 17.583 19.000 0.126 0.000 0.818 233 A HN 0.524 nan 8.150 nan 0.000 0.443 234 V N -2.431 117.238 119.914 -0.409 0.000 3.306 234 V HA -0.002 4.593 4.120 0.792 0.000 0.264 234 V C 1.747 177.673 176.094 -0.280 0.000 1.149 234 V CA 1.877 63.945 62.300 -0.387 0.000 1.143 234 V CB -1.198 30.247 31.823 -0.631 0.000 0.767 234 V HN 0.657 nan 8.190 nan 0.000 0.476 235 T N -3.263 111.121 114.554 -0.283 0.000 3.134 235 T HA 0.445 5.270 4.350 0.792 0.000 0.260 235 T C 1.536 176.088 174.700 -0.246 0.000 1.027 235 T CA 0.516 62.474 62.100 -0.237 0.000 0.913 235 T CB 0.041 68.766 68.868 -0.238 0.000 1.046 235 T HN 1.474 nan 8.240 nan 0.000 0.553 236 G N 0.889 109.548 108.800 -0.236 0.000 2.225 236 G HA2 0.067 4.502 3.960 0.792 0.000 0.267 236 G HA3 0.067 4.502 3.960 0.792 0.000 0.267 236 G C 1.113 175.775 174.900 -0.397 0.000 1.024 236 G CA 0.422 45.392 45.100 -0.217 0.000 0.784 236 G HN 1.834 nan 8.290 nan 0.000 0.507 237 G N -1.366 106.956 108.800 -0.797 0.000 2.175 237 G HA2 -0.276 4.159 3.960 0.792 0.000 0.244 237 G HA3 -0.276 4.159 3.960 0.792 0.000 0.244 237 G C 0.835 175.305 174.900 -0.717 0.000 0.982 237 G CA 1.156 45.346 45.100 -1.517 0.000 0.641 237 G HN 0.751 nan 8.290 nan 0.000 0.527 238 E N -0.039 119.915 120.200 -0.410 0.000 2.150 238 E HA -0.008 4.817 4.350 0.792 0.000 0.193 238 E C 1.527 178.020 176.600 -0.179 0.000 0.985 238 E CA 1.167 57.431 56.400 -0.227 0.000 0.814 238 E CB 0.042 29.646 29.700 -0.161 0.000 0.752 238 E HN 0.742 nan 8.360 nan 0.000 0.466 239 Q N -1.513 118.165 119.800 -0.203 0.000 3.022 239 Q HA 0.496 5.311 4.340 0.792 0.000 0.313 239 Q C 0.199 176.170 176.000 -0.048 0.000 1.018 239 Q CA -0.465 55.276 55.803 -0.103 0.000 0.799 239 Q CB 1.830 30.514 28.738 -0.089 0.000 1.498 239 Q HN 0.179 nan 8.270 nan 0.000 0.494 240 G N 0.958 109.774 108.800 0.026 0.000 2.698 240 G HA2 -0.208 4.227 3.960 0.792 0.000 0.233 240 G HA3 -0.208 4.227 3.960 0.792 0.000 0.233 240 G C -0.553 174.493 174.900 0.244 0.000 1.352 240 G CA -0.149 45.018 45.100 0.113 0.000 0.879 240 G HN 0.997 nan 8.290 nan 0.000 0.567 241 S N -1.619 114.251 115.700 0.282 0.000 2.595 241 S HA 0.738 5.683 4.470 0.792 0.000 0.281 241 S C -1.052 173.621 174.600 0.121 0.000 1.117 241 S CA -0.556 57.803 58.200 0.264 0.000 0.873 241 S CB 2.354 65.652 63.200 0.164 0.000 1.108 241 S HN 1.790 nan 8.310 nan 0.000 0.477 242 L N 2.587 123.791 121.223 -0.031 0.000 2.325 242 L HA 0.851 5.666 4.340 0.792 0.000 0.281 242 L C -1.382 175.518 176.870 0.050 0.000 1.004 242 L CA -0.505 54.166 54.840 -0.281 0.000 0.823 242 L CB 0.524 42.316 42.059 -0.444 0.000 1.236 242 L HN 0.805 nan 8.230 nan 0.000 0.415 243 F N 3.115 122.990 119.950 -0.124 0.000 2.685 243 F HA 0.923 5.925 4.527 0.792 0.000 0.315 243 F C -0.463 175.306 175.800 -0.051 0.000 1.126 243 F CA -1.282 56.680 58.000 -0.064 0.000 0.950 243 F CB 0.774 39.750 39.000 -0.039 0.000 1.360 243 F HN 0.542 nan 8.300 nan 0.000 0.469 244 A N 1.472 124.328 122.820 0.060 0.000 2.409 244 A HA 0.702 5.497 4.320 0.792 0.000 0.267 244 A C 0.268 177.854 177.584 0.002 0.000 1.127 244 A CA -0.002 52.020 52.037 -0.026 0.000 0.795 244 A CB -0.561 18.458 19.000 0.033 0.000 1.061 244 A HN 1.455 nan 8.150 nan 0.000 0.502 245 A N 2.408 125.160 122.820 -0.113 0.000 2.386 245 A HA 0.514 5.309 4.320 0.792 0.000 0.246 245 A C 0.829 178.441 177.584 0.046 0.000 1.089 245 A CA 0.391 52.403 52.037 -0.043 0.000 0.790 245 A CB 0.123 19.067 19.000 -0.093 0.000 1.042 245 A HN 1.456 nan 8.150 nan 0.000 0.497 246 S N -0.291 115.458 115.700 0.081 0.000 2.438 246 S HA 0.316 5.261 4.470 0.792 0.000 0.293 246 S C 0.478 175.145 174.600 0.113 0.000 1.141 246 S CA -0.580 57.677 58.200 0.096 0.000 1.080 246 S CB 0.266 63.524 63.200 0.097 0.000 0.978 246 S HN 0.583 nan 8.310 nan 0.000 0.479 247 K N 2.590 123.074 120.400 0.139 0.000 2.374 247 K HA 0.101 4.896 4.320 0.792 0.000 0.196 247 K C -0.101 176.687 176.600 0.314 0.000 1.023 247 K CA -0.221 56.193 56.287 0.212 0.000 1.103 247 K CB 0.168 32.770 32.500 0.171 0.000 0.848 247 K HN 0.591 nan 8.250 nan 0.000 0.528 248 D N 0.924 121.466 120.400 0.237 0.000 2.434 248 D HA -0.026 5.089 4.640 0.792 0.000 0.252 248 D C 0.376 176.745 176.300 0.116 0.000 1.185 248 D CA 0.090 54.204 54.000 0.191 0.000 0.886 248 D CB 1.179 42.050 40.800 0.119 0.000 1.148 248 D HN 0.214 nan 8.370 nan 0.000 0.483 249 A N 3.066 125.913 122.820 0.045 0.000 2.348 249 A HA 0.069 4.864 4.320 0.792 0.000 0.224 249 A C 2.113 179.663 177.584 -0.057 0.000 1.227 249 A CA -0.034 52.000 52.037 -0.004 0.000 0.885 249 A CB 0.105 19.091 19.000 -0.022 0.000 0.933 249 A HN 0.514 nan 8.150 nan 0.000 0.506 250 S N 1.082 116.752 115.700 -0.050 0.000 2.374 250 S HA -0.260 4.685 4.470 0.792 0.000 0.227 250 S C 2.160 176.724 174.600 -0.061 0.000 1.037 250 S CA 1.781 59.947 58.200 -0.058 0.000 1.024 250 S CB -0.408 62.768 63.200 -0.039 0.000 0.861 250 S HN 0.870 nan 8.310 nan 0.000 0.456 251 R N 1.555 122.027 120.500 -0.047 0.000 2.170 251 R HA -0.107 4.708 4.340 0.792 0.000 0.242 251 R C 1.882 178.119 176.300 -0.104 0.000 1.145 251 R CA 1.462 57.524 56.100 -0.064 0.000 0.984 251 R CB -0.962 29.317 30.300 -0.035 0.000 0.869 251 R HN 0.361 nan 8.270 nan 0.000 0.455 252 L N 0.650 121.813 121.223 -0.101 0.000 2.131 252 L HA -0.116 4.699 4.340 0.792 0.000 0.210 252 L C 2.624 179.451 176.870 -0.073 0.000 1.092 252 L CA 1.375 56.155 54.840 -0.100 0.000 0.759 252 L CB -0.489 41.410 42.059 -0.265 0.000 0.903 252 L HN 0.192 nan 8.230 nan 0.000 0.435 253 K N 0.965 121.315 120.400 -0.084 0.000 1.984 253 K HA -0.207 4.588 4.320 0.792 0.000 0.209 253 K C 1.995 178.552 176.600 -0.070 0.000 1.046 253 K CA 1.663 57.912 56.287 -0.063 0.000 0.934 253 K CB -0.302 32.160 32.500 -0.064 0.000 0.717 253 K HN 0.245 nan 8.250 nan 0.000 0.438 254 E N 0.199 120.346 120.200 -0.087 0.000 2.049 254 E HA -0.296 4.529 4.350 0.792 0.000 0.198 254 E C 1.987 178.500 176.600 -0.144 0.000 1.007 254 E CA 1.853 58.195 56.400 -0.096 0.000 0.809 254 E CB -0.062 29.584 29.700 -0.090 0.000 0.749 254 E HN 0.500 nan 8.360 nan 0.000 0.450 255 Q N -1.508 118.141 119.800 -0.252 0.000 2.137 255 Q HA -0.110 4.705 4.340 0.792 0.000 0.198 255 Q C 1.066 176.737 176.000 -0.547 0.000 0.960 255 Q CA 1.185 56.700 55.803 -0.481 0.000 0.847 255 Q CB 0.207 28.435 28.738 -0.851 0.000 0.915 255 Q HN 0.435 nan 8.270 nan 0.000 0.448 256 Y N -1.714 118.584 120.300 -0.002 0.000 2.527 256 Y HA 0.351 5.376 4.550 0.792 0.000 0.247 256 Y C 1.118 177.020 175.900 0.003 0.000 1.138 256 Y CA 0.014 58.126 58.100 0.020 0.000 1.228 256 Y CB 1.078 39.568 38.460 0.049 0.000 1.252 256 Y HN 0.126 nan 8.280 nan 0.000 0.531 257 G N 1.330 110.177 108.800 0.079 0.000 2.160 257 G HA2 -0.301 4.134 3.960 0.792 0.000 0.251 257 G HA3 -0.301 4.134 3.960 0.792 0.000 0.251 257 G C -0.021 174.903 174.900 0.039 0.000 1.008 257 G CA 0.164 45.291 45.100 0.045 0.000 0.724 257 G HN 0.330 nan 8.290 nan 0.000 0.514 258 I N 0.675 121.268 120.570 0.038 0.000 2.365 258 I HA 0.273 4.918 4.170 0.792 0.000 0.291 258 I C 0.401 176.487 176.117 -0.052 0.000 1.004 258 I CA -0.673 60.625 61.300 -0.004 0.000 1.311 258 I CB 1.253 39.235 38.000 -0.030 0.000 1.401 258 I HN 0.183 nan 8.210 nan 0.000 0.491 259 D N 5.841 126.202 120.400 -0.064 0.000 2.348 259 D HA 0.219 5.334 4.640 0.792 0.000 0.253 259 D C -0.872 175.349 176.300 -0.132 0.000 1.161 259 D CA -0.055 53.891 54.000 -0.090 0.000 0.876 259 D CB 1.024 41.769 40.800 -0.092 0.000 1.160 259 D HN 0.113 nan 8.370 nan 0.000 0.459 260 V N 6.171 126.005 119.914 -0.132 0.000 2.313 260 V HA 0.352 4.947 4.120 0.792 0.000 0.278 260 V C -1.802 174.196 176.094 -0.160 0.000 1.017 260 V CA -1.432 60.772 62.300 -0.160 0.000 0.823 260 V CB 0.892 32.637 31.823 -0.130 0.000 1.010 260 V HN 0.664 nan 8.190 nan 0.000 0.443 261 P HA 0.151 nan 4.420 nan 0.000 0.272 261 P C -0.408 176.883 177.300 -0.015 0.000 1.240 261 P CA -0.352 62.656 63.100 -0.154 0.000 0.791 261 P CB 0.467 31.980 31.700 -0.311 0.000 0.978 262 D N 0.216 120.624 120.400 0.014 0.000 2.443 262 D HA 0.281 5.396 4.640 0.792 0.000 0.239 262 D C 1.092 177.392 176.300 -0.001 0.000 1.136 262 D CA 1.264 55.271 54.000 0.012 0.000 0.879 262 D CB -0.212 40.622 40.800 0.057 0.000 1.195 262 D HN 0.658 nan 8.370 nan 0.000 0.443 263 G N 2.030 110.718 108.800 -0.185 0.000 2.147 263 G HA2 -0.245 4.190 3.960 0.792 0.000 0.244 263 G HA3 -0.245 4.190 3.960 0.792 0.000 0.244 263 G C -0.158 174.196 174.900 -0.909 0.000 1.005 263 G CA 0.003 44.794 45.100 -0.515 0.000 0.713 263 G HN 0.367 nan 8.290 nan 0.000 0.515 264 F N -0.625 118.826 119.950 -0.832 0.000 2.495 264 F HA 0.827 5.829 4.527 0.792 0.000 0.327 264 F C 0.257 175.595 175.800 -0.771 0.000 1.103 264 F CA -1.151 56.491 58.000 -0.596 0.000 0.949 264 F CB 1.460 40.267 39.000 -0.322 0.000 1.142 264 F HN -0.013 nan 8.300 nan 0.000 0.457 265 F N 0.400 120.307 119.950 -0.071 0.000 2.631 265 F HA 0.583 5.585 4.527 0.792 0.000 0.328 265 F C -0.142 175.777 175.800 0.199 0.000 1.067 265 F CA -1.174 56.845 58.000 0.032 0.000 0.969 265 F CB 0.816 39.798 39.000 -0.030 0.000 1.332 265 F HN 0.267 nan 8.300 nan 0.000 0.490 266 C N 0.955 120.510 119.300 0.425 0.000 2.595 266 C HA 0.279 5.214 4.460 0.792 0.000 0.384 266 C C 0.318 175.541 174.990 0.388 0.000 1.289 266 C CA -0.736 58.503 59.018 0.369 0.000 2.372 266 C CB -0.077 27.838 27.740 0.292 0.000 2.593 266 C HN 0.668 nan 8.230 nan 0.000 0.639 267 E N 0.809 121.170 120.200 0.268 0.000 2.366 267 E HA 0.194 5.019 4.350 0.792 0.000 0.266 267 E C 0.124 176.741 176.600 0.029 0.000 1.051 267 E CA -0.306 56.143 56.400 0.082 0.000 0.884 267 E CB 0.581 30.292 29.700 0.018 0.000 1.006 267 E HN 0.484 nan 8.360 nan 0.000 0.417 268 R N 2.686 123.147 120.500 -0.065 0.000 2.489 268 R HA 0.063 4.878 4.340 0.792 0.000 0.287 268 R C -0.392 175.884 176.300 -0.039 0.000 1.053 268 R CA 0.116 56.187 56.100 -0.049 0.000 1.036 268 R CB 0.519 30.771 30.300 -0.081 0.000 0.966 268 R HN 0.421 nan 8.270 nan 0.000 0.432 269 R N 4.023 124.510 120.500 -0.021 0.000 2.514 269 R HA 0.387 5.202 4.340 0.792 0.000 0.301 269 R C -0.499 175.819 176.300 0.029 0.000 0.962 269 R CA -0.833 55.269 56.100 0.003 0.000 0.882 269 R CB 1.910 32.205 30.300 -0.008 0.000 1.143 269 R HN 0.680 nan 8.270 nan 0.000 0.452 270 R N 0.312 120.851 120.500 0.066 0.000 2.740 270 R HA 0.288 5.103 4.340 0.792 0.000 0.282 270 R C -0.160 176.223 176.300 0.138 0.000 0.969 270 R CA -0.773 55.371 56.100 0.074 0.000 0.918 270 R CB 1.997 32.304 30.300 0.012 0.000 1.175 270 R HN 0.626 nan 8.270 nan 0.000 0.464 271 T N -0.871 113.744 114.554 0.101 0.000 2.907 271 T HA 0.624 5.449 4.350 0.792 0.000 0.298 271 T C 0.024 174.655 174.700 -0.115 0.000 1.017 271 T CA -0.606 61.452 62.100 -0.070 0.000 1.118 271 T CB 1.450 70.273 68.868 -0.074 0.000 0.948 271 T HN 0.647 nan 8.240 nan 0.000 0.531 272 A N 3.742 126.448 122.820 -0.191 0.000 2.515 272 A HA 0.806 5.601 4.320 0.792 0.000 0.296 272 A C -0.558 176.946 177.584 -0.134 0.000 1.094 272 A CA -1.174 50.797 52.037 -0.110 0.000 0.718 272 A CB 1.683 20.659 19.000 -0.040 0.000 1.307 272 A HN 0.871 nan 8.150 nan 0.000 0.408 273 M N 1.543 121.097 119.600 -0.077 0.000 2.327 273 M HA 0.452 5.407 4.480 0.792 0.000 0.298 273 M C 0.057 176.439 176.300 0.137 0.000 1.065 273 M CA -0.364 54.931 55.300 -0.009 0.000 0.916 273 M CB 1.990 34.489 32.600 -0.168 0.000 1.630 273 M HN 0.897 nan 8.290 nan 0.000 0.442 274 G N 1.399 110.355 108.800 0.260 0.000 2.335 274 G HA2 0.625 5.060 3.960 0.792 0.000 0.316 274 G HA3 0.625 5.060 3.960 0.792 0.000 0.316 274 G C -0.034 175.052 174.900 0.311 0.000 1.129 274 G CA -0.438 44.814 45.100 0.253 0.000 0.899 274 G HN 0.847 nan 8.290 nan 0.000 0.448 275 G N 1.966 110.930 108.800 0.274 0.000 2.476 275 G HA2 0.618 5.053 3.960 0.792 0.000 0.286 275 G HA3 0.618 5.053 3.960 0.792 0.000 0.286 275 G C -2.387 172.488 174.900 -0.042 0.000 1.177 275 G CA -1.250 43.911 45.100 0.101 0.000 0.870 275 G HN 0.484 nan 8.290 nan 0.000 0.528 276 P HA 0.044 nan 4.420 nan 0.000 0.275 276 P C 0.372 177.672 177.300 -0.000 0.000 1.276 276 P CA -0.405 62.624 63.100 -0.117 0.000 0.782 276 P CB 0.908 32.519 31.700 -0.149 0.000 0.851 277 F N 5.137 125.023 119.950 -0.106 0.000 2.154 277 F HA -0.239 4.763 4.527 0.791 0.000 0.301 277 F C 2.241 178.027 175.800 -0.024 0.000 1.087 277 F CA 1.998 59.967 58.000 -0.051 0.000 1.274 277 F CB -0.854 38.119 39.000 -0.044 0.000 1.009 277 F HN 0.383 nan 8.300 nan 0.000 0.485 278 A N -0.225 122.528 122.820 -0.111 0.000 1.978 278 A HA -0.168 4.627 4.320 0.792 0.000 0.220 278 A C 2.100 179.581 177.584 -0.172 0.000 1.170 278 A CA 1.755 53.683 52.037 -0.182 0.000 0.636 278 A CB -1.075 17.899 19.000 -0.043 0.000 0.810 278 A HN 0.475 nan 8.150 nan 0.000 0.448 279 L N -0.061 121.096 121.223 -0.110 0.000 2.131 279 L HA 0.021 4.836 4.340 0.792 0.000 0.206 279 L C 1.725 178.544 176.870 -0.084 0.000 1.087 279 L CA 2.016 56.811 54.840 -0.075 0.000 0.767 279 L CB -0.798 41.220 42.059 -0.068 0.000 0.917 279 L HN 0.438 nan 8.230 nan 0.000 0.441 280 N N -0.555 118.087 118.700 -0.098 0.000 2.188 280 N HA -0.128 5.087 4.740 0.792 0.000 0.184 280 N C 1.895 177.351 175.510 -0.089 0.000 1.018 280 N CA 0.902 53.933 53.050 -0.032 0.000 0.858 280 N CB -0.142 38.398 38.487 0.087 0.000 0.989 280 N HN 0.496 nan 8.380 nan 0.000 0.426 281 A N 2.254 124.852 122.820 -0.371 0.000 1.869 281 A HA -0.149 4.647 4.320 0.792 0.000 0.218 281 A C -0.363 177.120 177.584 -0.169 0.000 1.203 281 A CA 1.646 53.440 52.037 -0.404 0.000 0.638 281 A CB -1.663 16.922 19.000 -0.690 0.000 0.831 281 A HN 0.260 nan 8.150 nan 0.000 0.450 282 P HA -0.072 nan 4.420 nan 0.000 0.222 282 P C 1.357 178.995 177.300 0.563 0.000 1.147 282 P CA 0.915 64.061 63.100 0.076 0.000 0.790 282 P CB -0.123 31.736 31.700 0.264 0.000 0.780 283 I N -1.227 119.567 120.570 0.372 0.000 2.400 283 I HA -0.111 4.534 4.170 0.792 0.000 0.248 283 I C 2.649 179.046 176.117 0.467 0.000 1.109 283 I CA 1.083 62.703 61.300 0.534 0.000 1.425 283 I CB -0.531 37.654 38.000 0.308 0.000 1.094 283 I HN -0.184 nan 8.210 nan 0.000 0.425 284 M N 0.563 120.330 119.600 0.277 0.000 2.149 284 M HA -0.186 4.769 4.480 0.792 0.000 0.261 284 M C 2.434 178.864 176.300 0.217 0.000 1.064 284 M CA 1.932 57.366 55.300 0.222 0.000 1.102 284 M CB -0.475 32.228 32.600 0.171 0.000 1.369 284 M HN 0.290 nan 8.290 nan 0.000 0.408 285 A N -0.604 122.351 122.820 0.225 0.000 2.070 285 A HA -0.068 4.727 4.320 0.792 0.000 0.220 285 A C 2.137 179.877 177.584 0.260 0.000 1.159 285 A CA 1.463 53.637 52.037 0.229 0.000 0.656 285 A CB -0.595 18.535 19.000 0.217 0.000 0.800 285 A HN 0.345 nan 8.150 nan 0.000 0.453 286 V N -1.360 118.740 119.914 0.310 0.000 2.795 286 V HA 0.033 4.628 4.120 0.792 0.000 0.243 286 V C 2.863 179.022 176.094 0.109 0.000 1.069 286 V CA 1.089 63.491 62.300 0.169 0.000 1.089 286 V CB -0.597 31.296 31.823 0.118 0.000 0.756 286 V HN 0.536 nan 8.190 nan 0.000 0.471 287 A N -0.072 122.864 122.820 0.193 0.000 1.908 287 A HA -0.309 4.486 4.320 0.792 0.000 0.218 287 A C 2.132 179.719 177.584 0.006 0.000 1.181 287 A CA 2.387 54.484 52.037 0.101 0.000 0.627 287 A CB -0.520 18.589 19.000 0.183 0.000 0.818 287 A HN 0.497 nan 8.150 nan 0.000 0.445 288 Q N 0.073 119.902 119.800 0.047 0.000 2.050 288 Q HA -0.068 4.747 4.340 0.792 0.000 0.202 288 Q C -0.678 175.296 176.000 -0.043 0.000 0.980 288 Q CA 2.243 58.057 55.803 0.017 0.000 0.840 288 Q CB -1.327 27.445 28.738 0.057 0.000 0.898 288 Q HN 0.438 nan 8.270 nan 0.000 0.424 289 P HA -0.138 nan 4.420 nan 0.000 0.216 289 P C 1.220 178.430 177.300 -0.151 0.000 1.150 289 P CA 1.146 64.201 63.100 -0.075 0.000 0.837 289 P CB 0.001 31.669 31.700 -0.054 0.000 0.786 290 V N -0.194 119.587 119.914 -0.222 0.000 2.307 290 V HA -0.242 4.353 4.120 0.792 0.000 0.245 290 V C 2.444 178.314 176.094 -0.373 0.000 1.045 290 V CA 1.801 63.881 62.300 -0.367 0.000 1.024 290 V CB -0.926 30.532 31.823 -0.609 0.000 0.651 290 V HN 0.077 nan 8.190 nan 0.000 0.449 291 R N 0.266 120.552 120.500 -0.355 0.000 2.091 291 R HA -0.164 4.651 4.340 0.792 0.000 0.238 291 R C 2.229 178.249 176.300 -0.468 0.000 1.136 291 R CA 1.707 57.474 56.100 -0.555 0.000 0.959 291 R CB -0.514 29.610 30.300 -0.293 0.000 0.856 291 R HN 0.532 nan 8.270 nan 0.000 0.437 292 N N 0.919 119.495 118.700 -0.207 0.000 2.104 292 N HA -0.191 5.024 4.740 0.792 0.000 0.190 292 N C 1.587 177.015 175.510 -0.136 0.000 1.024 292 N CA 1.199 54.180 53.050 -0.116 0.000 0.853 292 N CB -0.166 38.273 38.487 -0.079 0.000 1.008 292 N HN 0.275 nan 8.380 nan 0.000 0.424 293 K N 1.315 121.617 120.400 -0.162 0.000 1.984 293 K HA -0.059 4.736 4.320 0.792 0.000 0.209 293 K C 2.156 178.690 176.600 -0.111 0.000 1.046 293 K CA 1.153 57.365 56.287 -0.124 0.000 0.934 293 K CB -0.172 32.271 32.500 -0.094 0.000 0.717 293 K HN 0.263 nan 8.250 nan 0.000 0.438 294 I N -1.627 118.840 120.570 -0.171 0.000 2.454 294 I HA -0.193 4.452 4.170 0.792 0.000 0.254 294 I C 1.207 177.345 176.117 0.035 0.000 1.156 294 I CA 1.142 62.411 61.300 -0.052 0.000 1.433 294 I CB -0.415 37.356 38.000 -0.383 0.000 1.082 294 I HN 0.068 nan 8.210 nan 0.000 0.432 295 Y N 1.940 122.206 120.300 -0.056 0.000 2.544 295 Y HA 0.031 5.055 4.550 0.790 0.000 0.286 295 Y C 2.797 178.607 175.900 -0.150 0.000 1.141 295 Y CA 0.179 58.207 58.100 -0.120 0.000 1.299 295 Y CB -0.659 37.615 38.460 -0.310 0.000 1.030 295 Y HN 0.451 nan 8.280 nan 0.000 0.543 296 S N -0.610 115.091 115.700 0.001 0.000 2.583 296 S HA -0.010 4.935 4.470 0.792 0.000 0.203 296 S C 1.965 176.520 174.600 -0.075 0.000 0.952 296 S CA 0.317 58.491 58.200 -0.043 0.000 0.887 296 S CB -0.384 62.773 63.200 -0.071 0.000 0.857 296 S HN 0.202 nan 8.310 nan 0.000 0.611 297 K N 0.274 120.562 120.400 -0.187 0.000 2.097 297 K HA -0.049 4.746 4.320 0.792 0.000 0.206 297 K C 0.217 176.526 176.600 -0.485 0.000 1.049 297 K CA 1.224 57.273 56.287 -0.396 0.000 0.933 297 K CB -0.174 31.951 32.500 -0.626 0.000 0.717 297 K HN 0.514 nan 8.250 nan 0.000 0.442 298 Y N -0.345 120.019 120.300 0.107 0.000 2.774 298 Y HA 0.370 5.396 4.550 0.792 0.000 0.305 298 Y C 1.067 177.031 175.900 0.107 0.000 1.067 298 Y CA -0.460 57.708 58.100 0.115 0.000 1.304 298 Y CB 0.125 38.685 38.460 0.166 0.000 1.209 298 Y HN 0.081 nan 8.280 nan 0.000 0.543 299 A N -0.482 122.447 122.820 0.181 0.000 1.978 299 A HA -0.283 4.512 4.320 0.792 0.000 0.220 299 A C 1.940 179.587 177.584 0.105 0.000 1.170 299 A CA 1.659 53.805 52.037 0.181 0.000 0.636 299 A CB -0.881 18.215 19.000 0.159 0.000 0.810 299 A HN 0.643 nan 8.150 nan 0.000 0.448 300 Y N 1.584 121.888 120.300 0.008 0.000 2.081 300 Y HA -0.301 4.722 4.550 0.788 0.000 0.280 300 Y C 2.925 178.792 175.900 -0.056 0.000 1.163 300 Y CA 2.941 61.028 58.100 -0.022 0.000 1.135 300 Y CB -0.490 37.944 38.460 -0.043 0.000 0.970 300 Y HN 0.440 nan 8.280 nan 0.000 0.498 301 T N -2.960 111.561 114.554 -0.055 0.000 3.054 301 T HA -0.015 4.810 4.350 0.792 0.000 0.259 301 T C 1.460 175.996 174.700 -0.273 0.000 1.092 301 T CA 0.983 62.903 62.100 -0.301 0.000 1.121 301 T CB -0.769 67.676 68.868 -0.705 0.000 0.912 301 T HN 0.357 nan 8.240 nan 0.000 0.489 302 F N -0.093 119.864 119.950 0.011 0.000 2.653 302 F HA 0.358 5.364 4.527 0.799 0.000 0.288 302 F C 1.388 176.997 175.800 -0.319 0.000 1.121 302 F CA -0.725 57.275 58.000 -0.000 0.000 1.384 302 F CB 0.287 39.329 39.000 0.071 0.000 1.115 302 F HN 0.251 nan 8.300 nan 0.000 0.599 303 H N 1.816 120.663 119.070 -0.371 0.000 2.690 303 H HA 0.205 5.236 4.556 0.791 0.000 0.289 303 H C -0.851 174.086 175.328 -0.651 0.000 1.089 303 H CA -0.491 55.270 56.048 -0.479 0.000 1.299 303 H CB 0.104 29.755 29.762 -0.185 0.000 1.405 303 H HN 0.041 nan 8.280 nan 0.000 0.463 304 H N 4.111 123.061 119.070 -0.201 0.000 2.505 304 H HA 0.126 5.156 4.556 0.790 0.000 0.338 304 H C 0.586 175.749 175.328 -0.276 0.000 1.057 304 H CA -0.385 55.521 56.048 -0.238 0.000 1.202 304 H CB 2.082 31.781 29.762 -0.105 0.000 1.466 304 H HN 0.760 nan 8.280 nan 0.000 0.499 305 T N -0.509 113.938 114.554 -0.179 0.000 3.409 305 T HA 0.094 4.919 4.350 0.792 0.000 0.188 305 T C 0.922 175.650 174.700 0.046 0.000 0.929 305 T CA 0.418 62.492 62.100 -0.043 0.000 1.184 305 T CB -0.251 68.488 68.868 -0.215 0.000 1.570 305 T HN 0.521 nan 8.240 nan 0.000 0.367 306 T N 0.312 114.829 114.554 -0.062 0.000 2.862 306 T HA 0.436 5.261 4.350 0.792 0.000 0.276 306 T C 1.305 175.932 174.700 -0.122 0.000 0.974 306 T CA -0.789 61.274 62.100 -0.062 0.000 0.966 306 T CB 1.391 70.210 68.868 -0.081 0.000 1.072 306 T HN 0.566 nan 8.240 nan 0.000 0.538 307 R N 0.012 120.446 120.500 -0.111 0.000 2.120 307 R HA -0.017 4.798 4.340 0.792 0.000 0.234 307 R C 1.829 178.094 176.300 -0.058 0.000 1.123 307 R CA 0.782 56.809 56.100 -0.121 0.000 0.975 307 R CB -0.924 29.362 30.300 -0.023 0.000 0.866 307 R HN 0.367 nan 8.270 nan 0.000 0.446 308 L N 1.804 122.998 121.223 -0.049 0.000 2.156 308 L HA -0.064 4.751 4.340 0.792 0.000 0.208 308 L C 2.188 179.024 176.870 -0.057 0.000 1.095 308 L CA 1.635 56.456 54.840 -0.032 0.000 0.770 308 L CB -1.038 40.997 42.059 -0.040 0.000 0.914 308 L HN 0.277 nan 8.230 nan 0.000 0.439 309 N N 0.057 118.701 118.700 -0.093 0.000 2.104 309 N HA -0.222 4.993 4.740 0.792 0.000 0.190 309 N C 1.747 177.179 175.510 -0.130 0.000 1.024 309 N CA 1.576 54.559 53.050 -0.112 0.000 0.853 309 N CB 0.059 38.461 38.487 -0.141 0.000 1.008 309 N HN 0.266 nan 8.380 nan 0.000 0.424 310 K N 0.025 120.317 120.400 -0.179 0.000 2.062 310 K HA -0.105 4.690 4.320 0.792 0.000 0.205 310 K C 2.023 178.587 176.600 -0.060 0.000 1.051 310 K CA 1.185 57.320 56.287 -0.253 0.000 0.941 310 K CB -0.187 31.872 32.500 -0.736 0.000 0.719 310 K HN 0.315 nan 8.250 nan 0.000 0.440 311 E N 1.546 121.817 120.200 0.117 0.000 2.085 311 E HA -0.242 4.583 4.350 0.792 0.000 0.194 311 E C 1.662 178.232 176.600 -0.050 0.000 0.994 311 E CA 1.434 57.932 56.400 0.163 0.000 0.801 311 E CB 0.136 29.919 29.700 0.139 0.000 0.743 311 E HN 0.299 nan 8.360 nan 0.000 0.453 312 E N 0.190 120.350 120.200 -0.067 0.000 2.160 312 E HA -0.213 4.612 4.350 0.792 0.000 0.195 312 E C 2.056 178.583 176.600 -0.123 0.000 0.991 312 E CA 1.165 57.519 56.400 -0.076 0.000 0.810 312 E CB -0.001 29.671 29.700 -0.047 0.000 0.742 312 E HN 0.246 nan 8.360 nan 0.000 0.466 313 K N 0.503 120.776 120.400 -0.212 0.000 2.021 313 K HA -0.043 4.752 4.320 0.792 0.000 0.205 313 K C 2.221 178.385 176.600 -0.726 0.000 1.047 313 K CA 0.982 57.081 56.287 -0.314 0.000 0.943 313 K CB -0.122 32.096 32.500 -0.471 0.000 0.725 313 K HN -0.067 nan 8.250 nan 0.000 0.439 314 V N 2.394 121.763 119.914 -0.908 0.000 2.594 314 V HA -0.217 4.378 4.120 0.792 0.000 0.253 314 V C 2.101 177.832 176.094 -0.605 0.000 1.069 314 V CA 1.496 63.057 62.300 -1.232 0.000 1.082 314 V CB -0.445 30.946 31.823 -0.719 0.000 0.680 314 V HN 0.251 nan 8.190 nan 0.000 0.469 315 K N 0.482 120.678 120.400 -0.339 0.000 2.103 315 K HA -0.173 4.622 4.320 0.792 0.000 0.207 315 K C 1.890 178.464 176.600 -0.043 0.000 1.048 315 K CA 1.420 57.616 56.287 -0.152 0.000 0.930 315 K CB -0.319 32.121 32.500 -0.100 0.000 0.716 315 K HN 0.633 nan 8.250 nan 0.000 0.444 316 E N -0.612 119.571 120.200 -0.027 0.000 2.478 316 E HA -0.099 4.726 4.350 0.792 0.000 0.198 316 E C 0.013 176.810 176.600 0.329 0.000 1.046 316 E CA 0.071 56.552 56.400 0.136 0.000 0.870 316 E CB 0.037 29.841 29.700 0.174 0.000 0.818 316 E HN 0.165 nan 8.360 nan 0.000 0.527 317 W N 0.555 121.894 121.300 0.065 0.000 2.303 317 W HA 0.189 5.366 4.660 0.862 0.000 0.334 317 W C 1.296 177.874 176.519 0.097 0.000 1.197 317 W CA -1.291 56.104 57.345 0.084 0.000 1.262 317 W CB 0.769 30.275 29.460 0.077 0.000 1.153 317 W HN -0.197 nan 8.180 nan 0.000 0.596 318 S N 0.657 116.559 115.700 0.338 0.000 2.470 318 S HA 0.101 5.046 4.470 0.792 0.000 0.222 318 S C -0.014 174.731 174.600 0.241 0.000 1.024 318 S CA 0.158 58.507 58.200 0.248 0.000 0.931 318 S CB 0.102 63.429 63.200 0.212 0.000 0.791 318 S HN 0.266 nan 8.310 nan 0.000 0.513 319 L N 0.497 121.880 121.223 0.266 0.000 2.455 319 L HA 0.634 5.449 4.340 0.792 0.000 0.264 319 L C -1.701 175.360 176.870 0.317 0.000 0.968 319 L CA -0.588 54.352 54.840 0.168 0.000 0.827 319 L CB 1.825 43.798 42.059 -0.143 0.000 1.317 319 L HN 0.098 nan 8.230 nan 0.000 0.407 320 C N 5.230 124.684 119.300 0.256 0.000 2.346 320 C HA 0.843 5.778 4.460 0.792 0.000 0.326 320 C C -0.908 174.103 174.990 0.034 0.000 1.224 320 C CA -0.429 58.803 59.018 0.357 0.000 1.408 320 C CB 0.667 28.662 27.740 0.425 0.000 2.089 320 C HN 0.621 nan 8.230 nan 0.000 0.456 321 V N 6.309 126.236 119.914 0.022 0.000 2.357 321 V HA 0.615 5.210 4.120 0.792 0.000 0.284 321 V C 0.680 176.762 176.094 -0.020 0.000 1.018 321 V CA -0.235 61.928 62.300 -0.228 0.000 0.841 321 V CB 1.346 33.055 31.823 -0.190 0.000 0.991 321 V HN 1.064 nan 8.190 nan 0.000 0.437 322 A N 4.263 127.103 122.820 0.034 0.000 2.415 322 A HA 0.607 5.402 4.320 0.792 0.000 0.309 322 A C 0.726 178.407 177.584 0.163 0.000 1.356 322 A CA -0.260 51.853 52.037 0.128 0.000 0.998 322 A CB -0.160 18.961 19.000 0.202 0.000 1.145 322 A HN 0.896 nan 8.150 nan 0.000 0.545 323 T N -0.120 114.493 114.554 0.098 0.000 2.874 323 T HA 0.603 5.428 4.350 0.792 0.000 0.281 323 T C -0.636 174.165 174.700 0.169 0.000 0.994 323 T CA -0.541 61.645 62.100 0.143 0.000 1.015 323 T CB 1.391 70.316 68.868 0.096 0.000 1.028 323 T HN 0.438 nan 8.240 nan 0.000 0.523 324 D N -0.407 120.108 120.400 0.192 0.000 2.879 324 D HA 0.548 5.663 4.640 0.792 0.000 0.236 324 D C -1.359 175.064 176.300 0.205 0.000 1.171 324 D CA -0.432 53.671 54.000 0.172 0.000 0.868 324 D CB 2.150 43.011 40.800 0.101 0.000 1.598 324 D HN 0.504 nan 8.370 nan 0.000 0.497 325 V N 1.692 121.738 119.914 0.220 0.000 2.448 325 V HA 0.474 5.069 4.120 0.792 0.000 0.295 325 V C 0.207 176.421 176.094 0.201 0.000 1.025 325 V CA -0.906 61.533 62.300 0.232 0.000 0.859 325 V CB 1.679 33.693 31.823 0.318 0.000 0.988 325 V HN 0.570 nan 8.190 nan 0.000 0.431 326 S N 3.290 119.089 115.700 0.164 0.000 2.505 326 S HA 0.215 5.160 4.470 0.792 0.000 0.276 326 S C 0.438 175.244 174.600 0.343 0.000 1.274 326 S CA -0.158 58.161 58.200 0.199 0.000 1.053 326 S CB -0.062 63.236 63.200 0.163 0.000 0.919 326 S HN 0.952 nan 8.310 nan 0.000 0.490 327 D N 2.737 123.320 120.400 0.304 0.000 2.755 327 D HA -0.242 4.873 4.640 0.792 0.000 0.227 327 D C 0.635 177.169 176.300 0.389 0.000 1.211 327 D CA 1.189 55.370 54.000 0.301 0.000 0.663 327 D CB -1.245 39.705 40.800 0.250 0.000 0.983 327 D HN 0.962 nan 8.370 nan 0.000 0.407 328 H N 0.205 119.428 119.070 0.255 0.000 2.319 328 H HA -0.152 4.878 4.556 0.791 0.000 0.297 328 H C 1.381 176.862 175.328 0.256 0.000 1.097 328 H CA 2.482 58.689 56.048 0.266 0.000 1.285 328 H CB 0.271 30.160 29.762 0.212 0.000 1.368 328 H HN 0.206 nan 8.280 nan 0.000 0.495 329 D N -0.841 119.694 120.400 0.226 0.000 2.144 329 D HA -0.132 4.983 4.640 0.792 0.000 0.199 329 D C 2.348 178.667 176.300 0.033 0.000 0.984 329 D CA 1.995 56.052 54.000 0.095 0.000 0.834 329 D CB -0.645 40.199 40.800 0.073 0.000 0.955 329 D HN 0.681 nan 8.370 nan 0.000 0.465 330 T N -2.289 112.274 114.554 0.015 0.000 2.985 330 T HA -0.043 4.782 4.350 0.792 0.000 0.266 330 T C 1.884 176.520 174.700 -0.107 0.000 1.076 330 T CA 0.423 62.477 62.100 -0.077 0.000 1.135 330 T CB -0.597 68.177 68.868 -0.156 0.000 0.890 330 T HN 0.076 nan 8.240 nan 0.000 0.480 331 F N -0.325 119.635 119.950 0.016 0.000 2.743 331 F HA 0.350 5.354 4.527 0.795 0.000 0.297 331 F C 0.855 176.622 175.800 -0.055 0.000 1.131 331 F CA -1.465 56.533 58.000 -0.003 0.000 1.426 331 F CB -0.007 38.998 39.000 0.008 0.000 1.116 331 F HN 0.166 nan 8.300 nan 0.000 0.583 332 W N 5.418 126.644 121.300 -0.123 0.000 2.385 332 W HA 0.052 5.187 4.660 0.791 0.000 0.336 332 W C -2.280 174.091 176.519 -0.248 0.000 1.351 332 W CA -1.797 55.389 57.345 -0.265 0.000 1.295 332 W CB 0.166 29.443 29.460 -0.304 0.000 1.239 332 W HN -0.185 nan 8.180 nan 0.000 0.565 333 P HA 0.114 nan 4.420 nan 0.000 0.287 333 P C 0.546 177.229 177.300 -1.029 0.000 1.281 333 P CA 0.074 62.600 63.100 -0.956 0.000 0.781 333 P CB 1.439 32.248 31.700 -1.486 0.000 0.903 334 G N 3.774 112.334 108.800 -0.399 0.000 2.470 334 G HA2 -0.225 4.210 3.960 0.792 0.000 0.220 334 G HA3 -0.225 4.210 3.960 0.792 0.000 0.220 334 G C 1.225 176.005 174.900 -0.200 0.000 1.121 334 G CA -0.048 44.951 45.100 -0.168 0.000 0.766 334 G HN 0.712 nan 8.290 nan 0.000 0.553 335 W N 0.090 121.267 121.300 -0.205 0.000 2.425 335 W HA 0.098 5.231 4.660 0.788 0.000 0.277 335 W C 1.621 177.970 176.519 -0.283 0.000 1.231 335 W CA 0.314 57.543 57.345 -0.194 0.000 1.248 335 W CB -0.853 28.503 29.460 -0.173 0.000 1.117 335 W HN 0.167 nan 8.180 nan 0.000 0.568 336 L N 2.273 122.968 121.223 -0.881 0.000 2.109 336 L HA -0.056 4.759 4.340 0.792 0.000 0.207 336 L C 3.032 179.726 176.870 -0.293 0.000 1.086 336 L CA 1.968 56.327 54.840 -0.802 0.000 0.760 336 L CB -0.928 40.245 42.059 -1.478 0.000 0.910 336 L HN -0.053 nan 8.230 nan 0.000 0.437 337 R N -0.387 120.001 120.500 -0.186 0.000 2.083 337 R HA -0.195 4.620 4.340 0.792 0.000 0.237 337 R C 1.733 178.108 176.300 0.124 0.000 1.137 337 R CA 2.148 58.370 56.100 0.204 0.000 0.951 337 R CB -0.553 29.904 30.300 0.261 0.000 0.851 337 R HN 0.404 nan 8.270 nan 0.000 0.434 338 D N 0.930 121.373 120.400 0.070 0.000 2.144 338 D HA -0.174 4.941 4.640 0.792 0.000 0.200 338 D C 1.975 178.317 176.300 0.070 0.000 0.978 338 D CA 0.964 55.013 54.000 0.081 0.000 0.833 338 D CB -0.249 40.601 40.800 0.084 0.000 0.961 338 D HN 0.304 nan 8.370 nan 0.000 0.470 339 L N 0.524 121.789 121.223 0.069 0.000 2.046 339 L HA -0.126 4.689 4.340 0.792 0.000 0.208 339 L C 2.276 179.165 176.870 0.032 0.000 1.077 339 L CA 1.010 55.886 54.840 0.060 0.000 0.747 339 L CB -0.121 41.986 42.059 0.080 0.000 0.896 339 L HN -0.070 nan 8.230 nan 0.000 0.432 340 I N -0.899 119.689 120.570 0.031 0.000 2.179 340 I HA -0.363 4.282 4.170 0.792 0.000 0.242 340 I C 2.597 178.662 176.117 -0.087 0.000 1.088 340 I CA 1.316 62.604 61.300 -0.019 0.000 1.357 340 I CB -0.457 37.574 38.000 0.052 0.000 1.051 340 I HN 0.431 nan 8.210 nan 0.000 0.409 341 C N 0.417 119.721 119.300 0.007 0.000 2.429 341 C HA -0.205 4.730 4.460 0.792 0.000 0.277 341 C C 2.569 177.544 174.990 -0.025 0.000 1.262 341 C CA 1.267 60.283 59.018 -0.002 0.000 1.733 341 C CB -1.043 26.750 27.740 0.089 0.000 2.010 341 C HN 0.566 nan 8.230 nan 0.000 0.483 342 D N 0.581 120.983 120.400 0.002 0.000 2.104 342 D HA -0.181 4.934 4.640 0.792 0.000 0.194 342 D C 2.092 178.382 176.300 -0.016 0.000 0.994 342 D CA 1.645 55.648 54.000 0.006 0.000 0.830 342 D CB -0.194 40.618 40.800 0.021 0.000 0.959 342 D HN 0.394 nan 8.370 nan 0.000 0.452 343 E N -0.296 119.883 120.200 -0.035 0.000 2.153 343 E HA -0.086 4.739 4.350 0.792 0.000 0.194 343 E C 2.147 178.692 176.600 -0.091 0.000 0.988 343 E CA 0.754 57.127 56.400 -0.044 0.000 0.811 343 E CB -0.300 29.380 29.700 -0.035 0.000 0.746 343 E HN 0.409 nan 8.360 nan 0.000 0.466 344 L N -0.264 120.842 121.223 -0.196 0.000 2.093 344 L HA -0.151 4.664 4.340 0.792 0.000 0.208 344 L C 2.420 179.260 176.870 -0.051 0.000 1.085 344 L CA 0.815 55.478 54.840 -0.296 0.000 0.755 344 L CB -0.394 41.312 42.059 -0.588 0.000 0.904 344 L HN 0.198 nan 8.230 nan 0.000 0.435 345 L N -0.337 120.872 121.223 -0.023 0.000 2.046 345 L HA -0.212 4.603 4.340 0.792 0.000 0.208 345 L C 2.375 179.264 176.870 0.031 0.000 1.077 345 L CA 1.040 55.896 54.840 0.027 0.000 0.747 345 L CB -0.652 41.422 42.059 0.025 0.000 0.896 345 L HN 0.359 nan 8.230 nan 0.000 0.432 346 N N 0.048 118.759 118.700 0.018 0.000 2.149 346 N HA -0.179 5.036 4.740 0.792 0.000 0.188 346 N C 1.789 177.320 175.510 0.035 0.000 1.019 346 N CA 1.465 54.529 53.050 0.023 0.000 0.857 346 N CB -0.249 38.248 38.487 0.017 0.000 0.997 346 N HN 0.380 nan 8.380 nan 0.000 0.426 347 M N -0.851 118.781 119.600 0.053 0.000 2.557 347 M HA 0.065 5.020 4.480 0.792 0.000 0.259 347 M C 0.977 177.330 176.300 0.089 0.000 1.086 347 M CA 0.839 56.193 55.300 0.089 0.000 1.096 347 M CB 0.203 32.892 32.600 0.149 0.000 1.424 347 M HN 0.292 nan 8.290 nan 0.000 0.488 348 G N -0.609 108.238 108.800 0.077 0.000 2.148 348 G HA2 -0.244 4.191 3.960 0.792 0.000 0.203 348 G HA3 -0.244 4.191 3.960 0.792 0.000 0.203 348 G C -0.215 174.674 174.900 -0.018 0.000 0.993 348 G CA -0.723 44.388 45.100 0.019 0.000 0.661 348 G HN 0.414 nan 8.290 nan 0.000 0.518 349 Y N 1.239 121.463 120.300 -0.126 0.000 2.578 349 Y HA 0.373 5.398 4.550 0.792 0.000 0.339 349 Y C 1.402 177.174 175.900 -0.212 0.000 1.231 349 Y CA 0.456 58.437 58.100 -0.198 0.000 1.461 349 Y CB 0.764 39.110 38.460 -0.190 0.000 1.323 349 Y HN 0.524 nan 8.280 nan 0.000 0.590 350 A N 6.314 128.968 122.820 -0.277 0.000 2.567 350 A HA 0.051 4.846 4.320 0.792 0.000 0.240 350 A C -1.749 175.637 177.584 -0.330 0.000 1.053 350 A CA -1.017 50.756 52.037 -0.441 0.000 0.755 350 A CB -0.136 18.230 19.000 -1.056 0.000 0.978 350 A HN 0.661 nan 8.150 nan 0.000 0.507 351 P HA -0.159 nan 4.420 nan 0.000 0.216 351 P C 1.581 178.921 177.300 0.067 0.000 1.153 351 P CA 1.745 64.850 63.100 0.009 0.000 0.848 351 P CB -0.099 31.648 31.700 0.079 0.000 0.787 352 W N -1.801 119.579 121.300 0.133 0.000 2.363 352 W HA -0.121 5.015 4.660 0.793 0.000 0.296 352 W C 1.854 178.474 176.519 0.170 0.000 1.212 352 W CA 0.266 57.681 57.345 0.117 0.000 1.260 352 W CB -1.825 27.691 29.460 0.093 0.000 1.131 352 W HN 0.053 nan 8.180 nan 0.000 0.530 353 W N 2.280 123.293 121.300 -0.479 0.000 2.409 353 W HA -0.117 5.017 4.660 0.791 0.000 0.299 353 W C 2.411 178.925 176.519 -0.008 0.000 1.203 353 W CA 2.692 59.863 57.345 -0.290 0.000 1.298 353 W CB -0.614 28.410 29.460 -0.728 0.000 1.127 353 W HN -0.281 nan 8.180 nan 0.000 0.528 354 V N 1.238 121.247 119.914 0.159 0.000 2.407 354 V HA -0.298 4.297 4.120 0.792 0.000 0.248 354 V C 2.271 178.381 176.094 0.026 0.000 1.055 354 V CA 2.212 64.568 62.300 0.092 0.000 1.049 354 V CB -1.023 30.869 31.823 0.114 0.000 0.662 354 V HN 0.047 nan 8.190 nan 0.000 0.455 355 K N 0.444 120.882 120.400 0.063 0.000 2.097 355 K HA -0.073 4.722 4.320 0.792 0.000 0.205 355 K C 1.886 178.523 176.600 0.061 0.000 1.050 355 K CA 1.463 57.807 56.287 0.095 0.000 0.938 355 K CB -0.504 32.075 32.500 0.131 0.000 0.718 355 K HN 0.416 nan 8.250 nan 0.000 0.442 356 L N -0.610 120.608 121.223 -0.009 0.000 2.017 356 L HA -0.139 4.676 4.340 0.792 0.000 0.208 356 L C 2.229 179.010 176.870 -0.149 0.000 1.073 356 L CA 1.344 56.148 54.840 -0.060 0.000 0.745 356 L CB -0.514 41.481 42.059 -0.106 0.000 0.894 356 L HN 0.142 nan 8.230 nan 0.000 0.432 357 F N 0.955 120.610 119.950 -0.491 0.000 2.102 357 F HA -0.252 4.750 4.527 0.791 0.000 0.298 357 F C 2.658 178.355 175.800 -0.173 0.000 1.105 357 F CA 1.983 59.719 58.000 -0.440 0.000 1.239 357 F CB -0.151 38.435 39.000 -0.690 0.000 0.991 357 F HN 0.108 nan 8.300 nan 0.000 0.474 358 E N -0.609 119.605 120.200 0.024 0.000 2.058 358 E HA -0.218 4.607 4.350 0.792 0.000 0.194 358 E C 1.979 178.559 176.600 -0.034 0.000 0.997 358 E CA 1.999 58.412 56.400 0.021 0.000 0.801 358 E CB -0.282 29.473 29.700 0.092 0.000 0.746 358 E HN 0.385 nan 8.360 nan 0.000 0.450 359 T N 0.451 115.009 114.554 0.007 0.000 2.833 359 T HA -0.167 4.658 4.350 0.792 0.000 0.269 359 T C 2.018 176.687 174.700 -0.051 0.000 1.054 359 T CA 1.475 63.584 62.100 0.014 0.000 1.135 359 T CB -0.357 68.597 68.868 0.144 0.000 0.869 359 T HN 0.319 nan 8.240 nan 0.000 0.466 360 S N 1.212 116.847 115.700 -0.109 0.000 2.474 360 S HA 0.059 5.004 4.470 0.792 0.000 0.235 360 S C 1.506 176.085 174.600 -0.035 0.000 0.997 360 S CA 0.602 58.746 58.200 -0.093 0.000 0.949 360 S CB -0.556 62.545 63.200 -0.165 0.000 0.766 360 S HN 0.486 nan 8.310 nan 0.000 0.517 361 L N -0.241 120.904 121.223 -0.131 0.000 2.872 361 L HA 0.429 5.244 4.340 0.792 0.000 0.245 361 L C 1.104 177.964 176.870 -0.017 0.000 1.211 361 L CA 0.038 54.815 54.840 -0.106 0.000 1.013 361 L CB 0.131 42.082 42.059 -0.180 0.000 1.326 361 L HN 0.181 nan 8.230 nan 0.000 0.525 362 K N -0.686 119.713 120.400 -0.002 0.000 2.554 362 K HA 0.225 5.020 4.320 0.792 0.000 0.211 362 K C -0.197 176.398 176.600 -0.008 0.000 1.226 362 K CA -0.468 55.814 56.287 -0.009 0.000 1.025 362 K CB 1.138 33.613 32.500 -0.042 0.000 1.021 362 K HN -0.026 nan 8.250 nan 0.000 0.600 363 L N 2.405 123.656 121.223 0.045 0.000 2.461 363 L HA 0.157 4.972 4.340 0.792 0.000 0.272 363 L C -2.309 174.611 176.870 0.083 0.000 1.197 363 L CA -1.588 53.269 54.840 0.028 0.000 0.836 363 L CB 0.224 42.268 42.059 -0.025 0.000 1.105 363 L HN -0.123 nan 8.230 nan 0.000 0.477 364 P HA 0.176 nan 4.420 nan 0.000 0.271 364 P C -1.599 175.792 177.300 0.152 0.000 1.244 364 P CA -0.160 62.990 63.100 0.083 0.000 0.793 364 P CB 0.687 32.418 31.700 0.051 0.000 0.984 365 V N -1.193 118.830 119.914 0.182 0.000 2.638 365 V HA 0.499 5.094 4.120 0.792 0.000 0.306 365 V C -1.502 174.731 176.094 0.232 0.000 1.052 365 V CA -0.993 61.434 62.300 0.212 0.000 0.885 365 V CB 1.535 33.449 31.823 0.150 0.000 0.999 365 V HN 0.398 nan 8.190 nan 0.000 0.424 366 Y N 4.279 124.663 120.300 0.140 0.000 2.341 366 Y HA 0.708 5.733 4.550 0.792 0.000 0.340 366 Y C -0.213 175.700 175.900 0.021 0.000 0.997 366 Y CA -0.535 57.664 58.100 0.165 0.000 1.149 366 Y CB 1.616 40.254 38.460 0.296 0.000 1.171 366 Y HN 0.683 nan 8.280 nan 0.000 0.494 367 V N 8.114 127.694 119.914 -0.557 0.000 2.385 367 V HA 0.277 4.872 4.120 0.792 0.000 0.269 367 V C 0.846 176.465 176.094 -0.791 0.000 1.043 367 V CA 0.450 62.397 62.300 -0.590 0.000 0.906 367 V CB 0.665 32.135 31.823 -0.589 0.000 0.995 367 V HN 1.102 nan 8.190 nan 0.000 0.467 368 G N 3.924 112.389 108.800 -0.559 0.000 2.670 368 G HA2 0.343 4.778 3.960 0.792 0.000 0.215 368 G HA3 0.343 4.778 3.960 0.792 0.000 0.215 368 G C 0.377 174.950 174.900 -0.545 0.000 1.359 368 G CA 0.635 45.474 45.100 -0.433 0.000 0.897 368 G HN 1.050 nan 8.290 nan 0.000 0.552 369 A N -0.173 122.521 122.820 -0.209 0.000 2.745 369 A HA 0.670 5.465 4.320 0.792 0.000 0.301 369 A C -2.024 175.564 177.584 0.006 0.000 1.188 369 A CA -0.805 51.166 52.037 -0.111 0.000 0.746 369 A CB 1.603 20.645 19.000 0.070 0.000 1.207 369 A HN 0.154 nan 8.150 nan 0.000 0.432 370 P HA 0.185 nan 4.420 nan 0.000 0.225 370 P C 0.489 177.670 177.300 -0.198 0.000 1.156 370 P CA 1.664 64.478 63.100 -0.476 0.000 0.787 370 P CB 0.429 31.778 31.700 -0.585 0.000 0.802 371 A N -2.579 120.194 122.820 -0.078 0.000 2.566 371 A HA 0.568 5.363 4.320 0.792 0.000 0.290 371 A C -3.108 174.311 177.584 -0.275 0.000 1.071 371 A CA -1.414 50.430 52.037 -0.322 0.000 0.658 371 A CB 0.103 18.968 19.000 -0.226 0.000 1.285 371 A HN -0.311 nan 8.150 nan 0.000 0.427 372 P HA 0.398 nan 4.420 nan 0.000 0.268 372 P C -0.245 177.040 177.300 -0.025 0.000 1.204 372 P CA 1.161 64.160 63.100 -0.167 0.000 0.768 372 P CB 0.485 32.049 31.700 -0.226 0.000 0.842 373 E N -0.766 119.479 120.200 0.075 0.000 3.286 373 E HA -0.247 4.578 4.350 0.792 0.000 0.292 373 E C -0.404 176.264 176.600 0.112 0.000 0.928 373 E CA 1.326 57.777 56.400 0.086 0.000 0.982 373 E CB -1.535 28.189 29.700 0.041 0.000 1.500 373 E HN 0.560 nan 8.360 nan 0.000 0.441 374 Q N -1.386 118.494 119.800 0.134 0.000 2.423 374 Q HA 0.667 5.482 4.340 0.792 0.000 0.278 374 Q C 0.467 176.540 176.000 0.123 0.000 1.097 374 Q CA -0.451 55.458 55.803 0.177 0.000 0.809 374 Q CB 2.427 31.284 28.738 0.198 0.000 1.391 374 Q HN 0.234 nan 8.270 nan 0.000 0.428 375 G N 0.135 109.049 108.800 0.190 0.000 2.384 375 G HA2 -0.203 4.232 3.960 0.792 0.000 0.200 375 G HA3 -0.203 4.232 3.960 0.792 0.000 0.200 375 G C -1.090 173.772 174.900 -0.064 0.000 1.205 375 G CA -0.236 44.782 45.100 -0.136 0.000 1.116 375 G HN 0.921 nan 8.290 nan 0.000 0.547 376 H N -0.438 118.573 119.070 -0.099 0.000 2.592 376 H HA -0.025 5.006 4.556 0.792 0.000 0.323 376 H C 0.095 175.410 175.328 -0.021 0.000 1.117 376 H CA 1.320 57.337 56.048 -0.052 0.000 1.120 376 H CB -1.716 28.124 29.762 0.130 0.000 1.561 376 H HN 0.770 nan 8.280 nan 0.000 0.409 377 T N 1.020 115.458 114.554 -0.193 0.000 2.971 377 T HA 0.415 5.240 4.350 0.792 0.000 0.304 377 T C -0.356 174.390 174.700 0.075 0.000 1.038 377 T CA -0.907 61.259 62.100 0.110 0.000 1.007 377 T CB 1.919 70.974 68.868 0.312 0.000 1.055 377 T HN 0.263 nan 8.240 nan 0.000 0.451 378 L N 4.396 125.826 121.223 0.345 0.000 2.276 378 L HA 0.608 5.423 4.340 0.792 0.000 0.286 378 L C -1.168 175.941 176.870 0.399 0.000 1.061 378 L CA -0.303 54.798 54.840 0.434 0.000 0.807 378 L CB 0.174 42.558 42.059 0.542 0.000 1.177 378 L HN 0.586 nan 8.230 nan 0.000 0.429 379 L N 6.361 127.776 121.223 0.320 0.000 2.272 379 L HA 0.820 5.635 4.340 0.792 0.000 0.289 379 L C 0.584 177.588 176.870 0.223 0.000 1.032 379 L CA -0.336 54.659 54.840 0.258 0.000 0.810 379 L CB 0.876 43.072 42.059 0.228 0.000 1.205 379 L HN 0.946 nan 8.230 nan 0.000 0.422 380 G N 2.241 111.171 108.800 0.216 0.000 2.663 380 G HA2 -0.148 4.287 3.960 0.792 0.000 0.686 380 G HA3 -0.148 4.287 3.960 0.792 0.000 0.686 380 G C -1.464 173.625 174.900 0.315 0.000 1.246 380 G CA -0.871 44.344 45.100 0.193 0.000 0.795 380 G HN 0.644 nan 8.290 nan 0.000 0.627 381 D N 1.470 121.998 120.400 0.214 0.000 2.392 381 D HA 0.585 5.700 4.640 0.792 0.000 0.228 381 D C -1.022 175.255 176.300 -0.039 0.000 1.074 381 D CA -2.307 51.780 54.000 0.145 0.000 0.838 381 D CB 1.799 42.707 40.800 0.180 0.000 1.067 381 D HN 0.013 nan 8.370 nan 0.000 0.511 382 P HA -0.069 nan 4.420 nan 0.000 0.221 382 P C 1.054 178.271 177.300 -0.137 0.000 1.145 382 P CA 0.741 63.732 63.100 -0.182 0.000 0.795 382 P CB 0.388 31.916 31.700 -0.287 0.000 0.775 383 S N -1.660 113.989 115.700 -0.084 0.000 2.447 383 S HA -0.048 4.897 4.470 0.792 0.000 0.233 383 S C 0.973 175.578 174.600 0.007 0.000 1.006 383 S CA 0.827 59.038 58.200 0.018 0.000 0.957 383 S CB -0.475 62.739 63.200 0.023 0.000 0.773 383 S HN 0.163 nan 8.310 nan 0.000 0.507 384 N N 0.966 119.575 118.700 -0.152 0.000 2.751 384 N HA 0.262 5.477 4.740 0.792 0.000 0.238 384 N C -3.385 171.910 175.510 -0.357 0.000 1.351 384 N CA -1.241 51.626 53.050 -0.305 0.000 0.751 384 N CB 1.297 39.737 38.487 -0.077 0.000 1.342 384 N HN -0.052 nan 8.380 nan 0.000 0.540 385 P HA 0.064 nan 4.420 nan 0.000 0.258 385 P C -0.272 176.891 177.300 -0.228 0.000 1.187 385 P CA 0.447 63.332 63.100 -0.359 0.000 0.767 385 P CB 0.391 31.826 31.700 -0.440 0.000 0.770 386 D N 1.972 122.305 120.400 -0.112 0.000 2.783 386 D HA 0.089 5.204 4.640 0.792 0.000 0.306 386 D C -0.344 175.943 176.300 -0.022 0.000 1.633 386 D CA -0.125 53.839 54.000 -0.059 0.000 0.796 386 D CB -0.688 40.084 40.800 -0.046 0.000 1.230 386 D HN 0.012 nan 8.370 nan 0.000 0.441 387 L N 0.738 121.954 121.223 -0.013 0.000 2.456 387 L HA 0.434 5.249 4.340 0.792 0.000 0.257 387 L C 0.699 177.576 176.870 0.012 0.000 1.162 387 L CA 0.335 55.180 54.840 0.007 0.000 0.808 387 L CB 0.847 42.922 42.059 0.026 0.000 1.136 387 L HN -0.010 nan 8.230 nan 0.000 0.466 388 E N 1.260 121.468 120.200 0.013 0.000 3.898 388 E HA 0.126 4.951 4.350 0.792 0.000 0.219 388 E C 0.649 177.258 176.600 0.014 0.000 1.207 388 E CA 0.015 56.427 56.400 0.021 0.000 1.240 388 E CB 0.855 30.566 29.700 0.019 0.000 1.239 388 E HN 0.465 nan 8.360 nan 0.000 0.422 389 V N -1.539 118.379 119.914 0.007 0.000 3.380 389 V HA 0.306 4.901 4.120 0.792 0.000 0.268 389 V C 1.015 177.101 176.094 -0.014 0.000 1.168 389 V CA 1.202 63.494 62.300 -0.013 0.000 1.156 389 V CB -0.486 31.316 31.823 -0.035 0.000 0.785 389 V HN 0.496 nan 8.190 nan 0.000 0.487 390 G N 0.218 109.039 108.800 0.035 0.000 2.709 390 G HA2 -0.165 4.270 3.960 0.792 0.000 0.228 390 G HA3 -0.165 4.270 3.960 0.792 0.000 0.228 390 G C -0.616 174.309 174.900 0.042 0.000 1.215 390 G CA -0.091 45.075 45.100 0.111 0.000 1.003 390 G HN 0.538 nan 8.290 nan 0.000 0.584 391 L N 1.774 122.931 121.223 -0.110 0.000 2.287 391 L HA 0.600 5.415 4.340 0.792 0.000 0.287 391 L C 0.192 176.866 176.870 -0.327 0.000 1.022 391 L CA -0.565 54.029 54.840 -0.410 0.000 0.814 391 L CB 1.531 43.227 42.059 -0.605 0.000 1.217 391 L HN 0.572 nan 8.230 nan 0.000 0.420 392 S N 1.385 116.832 115.700 -0.422 0.000 2.499 392 S HA 0.022 4.967 4.470 0.792 0.000 0.275 392 S C 1.256 175.611 174.600 -0.407 0.000 1.257 392 S CA -0.239 57.634 58.200 -0.546 0.000 1.050 392 S CB 1.480 63.997 63.200 -1.139 0.000 0.937 392 S HN 0.828 nan 8.310 nan 0.000 0.490 393 S N 3.135 118.668 115.700 -0.279 0.000 2.400 393 S HA -0.097 4.848 4.470 0.792 0.000 0.232 393 S C 1.640 176.186 174.600 -0.090 0.000 1.025 393 S CA 0.971 59.083 58.200 -0.147 0.000 0.993 393 S CB -0.483 62.666 63.200 -0.085 0.000 0.808 393 S HN 0.809 nan 8.310 nan 0.000 0.478 394 G N 0.569 109.311 108.800 -0.095 0.000 3.233 394 G HA2 0.138 4.573 3.960 0.792 0.000 0.227 394 G HA3 0.138 4.573 3.960 0.792 0.000 0.227 394 G C 0.305 175.316 174.900 0.186 0.000 1.175 394 G CA -0.421 44.734 45.100 0.091 0.000 0.781 394 G HN 0.471 nan 8.290 nan 0.000 0.542 395 Q N 0.637 120.465 119.800 0.048 0.000 2.352 395 Q HA 0.177 4.992 4.340 0.792 0.000 0.260 395 Q C 1.552 177.597 176.000 0.075 0.000 0.976 395 Q CA 0.191 56.050 55.803 0.093 0.000 0.881 395 Q CB 1.356 30.041 28.738 -0.088 0.000 1.235 395 Q HN 0.124 nan 8.270 nan 0.000 0.419 396 G N 2.572 111.436 108.800 0.108 0.000 2.527 396 G HA2 -0.094 4.341 3.960 0.792 0.000 0.219 396 G HA3 -0.094 4.341 3.960 0.792 0.000 0.219 396 G C 0.620 175.618 174.900 0.164 0.000 1.117 396 G CA 0.800 45.989 45.100 0.148 0.000 0.759 396 G HN 0.610 nan 8.290 nan 0.000 0.556 397 A N -0.135 122.770 122.820 0.142 0.000 2.568 397 A HA 0.440 5.235 4.320 0.792 0.000 0.287 397 A C 1.867 179.494 177.584 0.071 0.000 0.967 397 A CA 0.951 53.093 52.037 0.175 0.000 1.004 397 A CB -0.385 18.850 19.000 0.392 0.000 1.233 397 A HN 0.275 nan 8.150 nan 0.000 0.513 398 T N -0.690 113.859 114.554 -0.009 0.000 2.737 398 T HA -0.250 4.575 4.350 0.792 0.000 0.269 398 T C 1.503 176.180 174.700 -0.037 0.000 1.040 398 T CA 1.789 63.833 62.100 -0.095 0.000 1.142 398 T CB -0.537 68.264 68.868 -0.111 0.000 0.861 398 T HN 0.576 nan 8.240 nan 0.000 0.456 399 D N 2.156 122.568 120.400 0.020 0.000 2.097 399 D HA -0.114 5.001 4.640 0.792 0.000 0.195 399 D C 2.236 178.560 176.300 0.039 0.000 0.989 399 D CA 0.929 54.953 54.000 0.039 0.000 0.827 399 D CB -0.807 40.034 40.800 0.068 0.000 0.966 399 D HN 0.449 nan 8.370 nan 0.000 0.456 400 L N -0.509 120.735 121.223 0.036 0.000 2.046 400 L HA -0.142 4.673 4.340 0.792 0.000 0.208 400 L C 2.828 179.782 176.870 0.140 0.000 1.077 400 L CA 0.898 55.757 54.840 0.032 0.000 0.747 400 L CB -0.448 41.639 42.059 0.047 0.000 0.896 400 L HN -0.011 nan 8.230 nan 0.000 0.432 401 M N -0.356 119.334 119.600 0.149 0.000 2.117 401 M HA -0.094 4.861 4.480 0.792 0.000 0.262 401 M C 2.386 178.918 176.300 0.386 0.000 1.065 401 M CA 1.866 57.302 55.300 0.227 0.000 1.114 401 M CB -1.753 30.726 32.600 -0.202 0.000 1.361 401 M HN 0.306 nan 8.290 nan 0.000 0.408 402 G N -0.558 108.385 108.800 0.239 0.000 2.403 402 G HA2 -0.151 4.284 3.960 0.792 0.000 0.216 402 G HA3 -0.151 4.284 3.960 0.792 0.000 0.216 402 G C 1.575 176.669 174.900 0.323 0.000 1.154 402 G CA 1.273 46.617 45.100 0.407 0.000 0.784 402 G HN 0.397 nan 8.290 nan 0.000 0.538 403 T N 1.351 116.027 114.554 0.204 0.000 2.777 403 T HA -0.088 4.737 4.350 0.792 0.000 0.266 403 T C 2.201 177.056 174.700 0.259 0.000 1.040 403 T CA 1.018 63.231 62.100 0.188 0.000 1.141 403 T CB -0.212 68.651 68.868 -0.008 0.000 0.868 403 T HN 0.108 nan 8.240 nan 0.000 0.444 404 L N 1.719 123.101 121.223 0.265 0.000 1.994 404 L HA 0.015 4.830 4.340 0.792 0.000 0.208 404 L C 2.238 179.356 176.870 0.412 0.000 1.071 404 L CA 1.706 56.764 54.840 0.364 0.000 0.745 404 L CB -1.619 40.663 42.059 0.371 0.000 0.892 404 L HN 0.240 nan 8.230 nan 0.000 0.431 405 L N -0.253 121.207 121.223 0.395 0.000 1.971 405 L HA -0.250 4.565 4.340 0.792 0.000 0.215 405 L C 2.444 179.472 176.870 0.264 0.000 1.072 405 L CA 2.270 57.288 54.840 0.296 0.000 0.758 405 L CB -0.664 41.538 42.059 0.238 0.000 0.889 405 L HN 0.246 nan 8.230 nan 0.000 0.433 406 M N -1.059 118.677 119.600 0.227 0.000 2.132 406 M HA -0.131 4.824 4.480 0.792 0.000 0.263 406 M C 2.609 178.816 176.300 -0.155 0.000 1.065 406 M CA 1.811 57.062 55.300 -0.082 0.000 1.122 406 M CB -1.809 30.807 32.600 0.027 0.000 1.365 406 M HN 0.509 nan 8.290 nan 0.000 0.411 407 S N 0.812 116.694 115.700 0.304 0.000 2.359 407 S HA -0.109 4.836 4.470 0.792 0.000 0.224 407 S C 1.879 176.716 174.600 0.395 0.000 1.035 407 S CA 1.080 59.609 58.200 0.549 0.000 1.018 407 S CB -0.026 63.672 63.200 0.830 0.000 0.876 407 S HN 0.277 nan 8.310 nan 0.000 0.448 408 I N 1.535 122.261 120.570 0.260 0.000 2.315 408 I HA -0.085 4.560 4.170 0.792 0.000 0.248 408 I C 2.486 178.560 176.117 -0.072 0.000 1.117 408 I CA 1.360 62.641 61.300 -0.031 0.000 1.404 408 I CB -2.151 35.636 38.000 -0.355 0.000 1.071 408 I HN 0.314 nan 8.210 nan 0.000 0.419 409 T N 0.681 115.241 114.554 0.009 0.000 2.720 409 T HA -0.200 4.625 4.350 0.792 0.000 0.268 409 T C 1.876 176.636 174.700 0.100 0.000 1.037 409 T CA 1.565 63.717 62.100 0.088 0.000 1.144 409 T CB -0.323 68.575 68.868 0.051 0.000 0.864 409 T HN 0.178 nan 8.240 nan 0.000 0.444 410 Y N 0.901 121.340 120.300 0.232 0.000 2.200 410 Y HA 0.075 5.097 4.550 0.787 0.000 0.290 410 Y C 2.183 178.163 175.900 0.133 0.000 1.137 410 Y CA -0.175 58.046 58.100 0.202 0.000 1.163 410 Y CB -1.159 37.427 38.460 0.211 0.000 0.988 410 Y HN 0.111 nan 8.280 nan 0.000 0.518 411 L N -0.364 120.984 121.223 0.209 0.000 2.012 411 L HA -0.152 4.663 4.340 0.792 0.000 0.210 411 L C 2.142 178.986 176.870 -0.044 0.000 1.073 411 L CA 1.509 56.314 54.840 -0.059 0.000 0.748 411 L CB -0.996 40.859 42.059 -0.340 0.000 0.891 411 L HN 0.045 nan 8.230 nan 0.000 0.431 412 V N -0.302 119.610 119.914 -0.004 0.000 2.407 412 V HA -0.345 4.250 4.120 0.792 0.000 0.248 412 V C 2.646 178.799 176.094 0.100 0.000 1.055 412 V CA 2.224 64.537 62.300 0.022 0.000 1.049 412 V CB -0.566 31.313 31.823 0.094 0.000 0.662 412 V HN 0.614 nan 8.190 nan 0.000 0.455 413 M N -0.714 119.007 119.600 0.203 0.000 2.159 413 M HA -0.257 4.698 4.480 0.792 0.000 0.263 413 M C 2.295 178.802 176.300 0.344 0.000 1.063 413 M CA 1.839 57.332 55.300 0.322 0.000 1.110 413 M CB -0.101 32.723 32.600 0.374 0.000 1.374 413 M HN 0.381 nan 8.290 nan 0.000 0.411 414 Q N -0.066 119.885 119.800 0.251 0.000 2.123 414 Q HA -0.107 4.708 4.340 0.792 0.000 0.199 414 Q C 2.031 178.137 176.000 0.177 0.000 0.966 414 Q CA 1.288 57.256 55.803 0.275 0.000 0.845 414 Q CB -0.079 28.710 28.738 0.084 0.000 0.907 414 Q HN 0.538 nan 8.270 nan 0.000 0.439 415 L N 0.716 121.965 121.223 0.043 0.000 1.994 415 L HA -0.223 4.592 4.340 0.792 0.000 0.208 415 L C 1.892 178.742 176.870 -0.034 0.000 1.071 415 L CA 1.091 55.903 54.840 -0.047 0.000 0.745 415 L CB -0.508 41.473 42.059 -0.129 0.000 0.892 415 L HN 0.175 nan 8.230 nan 0.000 0.431 416 D N -0.738 119.628 120.400 -0.057 0.000 2.116 416 D HA -0.196 4.919 4.640 0.792 0.000 0.193 416 D C 2.014 178.183 176.300 -0.218 0.000 0.998 416 D CA 1.493 55.377 54.000 -0.194 0.000 0.836 416 D CB -0.235 40.349 40.800 -0.359 0.000 0.951 416 D HN 0.440 nan 8.370 nan 0.000 0.449 417 H N -1.674 117.450 119.070 0.090 0.000 2.575 417 H HA 0.187 5.209 4.556 0.777 0.000 0.267 417 H C 1.425 176.819 175.328 0.110 0.000 0.966 417 H CA 1.289 57.393 56.048 0.093 0.000 1.165 417 H CB 0.868 30.691 29.762 0.103 0.000 1.433 417 H HN 0.276 nan 8.280 nan 0.000 0.544 418 T N -3.528 111.178 114.554 0.254 0.000 3.074 418 T HA 0.351 5.176 4.350 0.792 0.000 0.258 418 T C 0.961 175.822 174.700 0.268 0.000 0.891 418 T CA 0.290 62.551 62.100 0.269 0.000 0.867 418 T CB 0.142 69.275 68.868 0.442 0.000 1.261 418 T HN 0.135 nan 8.240 nan 0.000 0.537 419 A N 2.509 125.410 122.820 0.135 0.000 3.129 419 A HA 0.620 5.415 4.320 0.792 0.000 0.282 419 A C -1.579 175.839 177.584 -0.277 0.000 0.948 419 A CA -1.026 50.938 52.037 -0.121 0.000 1.027 419 A CB 0.545 19.412 19.000 -0.222 0.000 1.123 419 A HN 0.294 nan 8.150 nan 0.000 0.485 420 P HA -0.228 nan 4.420 nan 0.000 0.219 420 P C 1.053 178.307 177.300 -0.078 0.000 1.146 420 P CA 1.394 64.459 63.100 -0.058 0.000 0.808 420 P CB -0.337 31.374 31.700 0.018 0.000 0.779 421 H N -0.589 118.468 119.070 -0.022 0.000 2.545 421 H HA 0.051 5.022 4.556 0.693 0.000 0.282 421 H C 1.569 176.864 175.328 -0.054 0.000 1.020 421 H CA 0.509 56.542 56.048 -0.025 0.000 1.243 421 H CB -1.073 28.691 29.762 0.003 0.000 1.377 421 H HN 0.216 nan 8.280 nan 0.000 0.581 422 L N 0.304 121.263 121.223 -0.441 0.000 2.585 422 L HA 0.040 4.855 4.340 0.792 0.000 0.226 422 L C 1.625 178.247 176.870 -0.414 0.000 1.113 422 L CA -0.095 54.514 54.840 -0.385 0.000 0.876 422 L CB -0.131 41.662 42.059 -0.443 0.000 1.072 422 L HN 0.083 nan 8.230 nan 0.000 0.468 423 N N 0.585 119.099 118.700 -0.309 0.000 2.205 423 N HA -0.171 5.044 4.740 0.792 0.000 0.186 423 N C 2.075 177.445 175.510 -0.234 0.000 1.015 423 N CA 1.761 54.643 53.050 -0.280 0.000 0.862 423 N CB -0.190 38.186 38.487 -0.185 0.000 0.986 423 N HN 0.363 nan 8.380 nan 0.000 0.429 424 S N 0.679 116.279 115.700 -0.167 0.000 2.469 424 S HA -0.005 4.940 4.470 0.792 0.000 0.238 424 S C 1.546 176.067 174.600 -0.133 0.000 0.998 424 S CA 0.412 58.541 58.200 -0.118 0.000 0.957 424 S CB -0.077 63.083 63.200 -0.066 0.000 0.764 424 S HN 0.230 nan 8.310 nan 0.000 0.514 425 R N 0.620 120.997 120.500 -0.206 0.000 2.307 425 R HA 0.288 5.103 4.340 0.792 0.000 0.199 425 R C 0.045 176.225 176.300 -0.200 0.000 1.000 425 R CA 0.421 56.412 56.100 -0.182 0.000 1.023 425 R CB -0.348 29.820 30.300 -0.220 0.000 0.908 425 R HN 0.512 nan 8.270 nan 0.000 0.473 426 I N 1.145 121.565 120.570 -0.250 0.000 2.503 426 I HA 0.170 4.815 4.170 0.792 0.000 0.277 426 I C 0.763 176.804 176.117 -0.126 0.000 1.078 426 I CA -0.104 61.078 61.300 -0.197 0.000 1.184 426 I CB 1.334 39.163 38.000 -0.285 0.000 1.353 426 I HN -0.166 nan 8.210 nan 0.000 0.490 427 K N 2.320 122.671 120.400 -0.080 0.000 2.365 427 K HA 0.157 4.952 4.320 0.792 0.000 0.195 427 K C -0.269 176.306 176.600 -0.040 0.000 1.079 427 K CA 0.399 56.652 56.287 -0.058 0.000 0.979 427 K CB 0.486 32.960 32.500 -0.043 0.000 0.929 427 K HN 0.651 nan 8.250 nan 0.000 0.523 428 D N -2.156 118.224 120.400 -0.032 0.000 2.946 428 D HA 0.109 5.224 4.640 0.792 0.000 0.337 428 D C 0.656 176.947 176.300 -0.014 0.000 1.332 428 D CA -0.699 53.289 54.000 -0.020 0.000 0.935 428 D CB 0.087 40.880 40.800 -0.011 0.000 1.440 428 D HN -0.366 nan 8.370 nan 0.000 0.540 429 M N -0.751 118.847 119.600 -0.004 0.000 2.099 429 M HA 0.061 5.016 4.480 0.792 0.000 0.262 429 M C -1.018 175.287 176.300 0.008 0.000 1.067 429 M CA 1.431 56.733 55.300 0.003 0.000 1.124 429 M CB -2.214 30.392 32.600 0.010 0.000 1.353 429 M HN 0.326 nan 8.290 nan 0.000 0.410 430 P HA -0.103 nan 4.420 nan 0.000 0.215 430 P C 1.655 178.969 177.300 0.024 0.000 1.153 430 P CA 2.020 65.132 63.100 0.020 0.000 0.853 430 P CB -0.169 31.542 31.700 0.018 0.000 0.788 431 S N -0.993 114.717 115.700 0.016 0.000 2.406 431 S HA -0.003 4.942 4.470 0.792 0.000 0.228 431 S C 2.073 176.697 174.600 0.039 0.000 1.020 431 S CA 0.885 59.100 58.200 0.025 0.000 0.965 431 S CB -1.301 61.901 63.200 0.003 0.000 0.798 431 S HN 0.079 nan 8.310 nan 0.000 0.488 432 A N 1.130 123.956 122.820 0.010 0.000 1.873 432 A HA -0.037 4.758 4.320 0.792 0.000 0.215 432 A C 2.477 180.069 177.584 0.014 0.000 1.186 432 A CA 1.432 53.473 52.037 0.006 0.000 0.616 432 A CB -1.513 17.468 19.000 -0.032 0.000 0.823 432 A HN 0.673 nan 8.150 nan 0.000 0.442 433 C N -0.974 118.325 119.300 -0.001 0.000 2.432 433 C HA -0.085 4.850 4.460 0.792 0.000 0.277 433 C C 2.883 177.873 174.990 -0.000 0.000 1.249 433 C CA 1.140 60.149 59.018 -0.015 0.000 1.725 433 C CB -1.326 26.426 27.740 0.019 0.000 2.028 433 C HN 0.593 nan 8.230 nan 0.000 0.477 434 R N -0.488 120.037 120.500 0.041 0.000 2.081 434 R HA -0.134 4.681 4.340 0.792 0.000 0.235 434 R C 2.094 178.423 176.300 0.049 0.000 1.131 434 R CA 1.696 57.830 56.100 0.057 0.000 0.960 434 R CB -0.569 29.774 30.300 0.071 0.000 0.856 434 R HN 0.601 nan 8.270 nan 0.000 0.436 435 F N 1.317 121.232 119.950 -0.058 0.000 2.084 435 F HA -0.185 4.799 4.527 0.763 0.000 0.296 435 F C 2.020 177.752 175.800 -0.114 0.000 1.111 435 F CA 1.179 59.133 58.000 -0.076 0.000 1.224 435 F CB -0.425 38.506 39.000 -0.116 0.000 0.991 435 F HN -0.088 nan 8.300 nan 0.000 0.471 436 L N 1.029 122.082 121.223 -0.284 0.000 2.042 436 L HA -0.209 4.606 4.340 0.792 0.000 0.210 436 L C 2.029 178.599 176.870 -0.499 0.000 1.076 436 L CA 2.485 56.991 54.840 -0.557 0.000 0.749 436 L CB -1.310 40.369 42.059 -0.634 0.000 0.893 436 L HN 0.349 nan 8.230 nan 0.000 0.432 437 D N -1.741 118.516 120.400 -0.239 0.000 2.123 437 D HA -0.249 4.866 4.640 0.792 0.000 0.196 437 D C 2.299 178.634 176.300 0.059 0.000 0.992 437 D CA 1.510 55.533 54.000 0.038 0.000 0.833 437 D CB -0.090 40.803 40.800 0.156 0.000 0.954 437 D HN 0.406 nan 8.370 nan 0.000 0.455 438 S N -1.795 113.856 115.700 -0.080 0.000 2.368 438 S HA -0.203 4.742 4.470 0.792 0.000 0.224 438 S C 2.000 176.475 174.600 -0.208 0.000 1.029 438 S CA 0.976 59.120 58.200 -0.093 0.000 0.988 438 S CB -0.782 62.377 63.200 -0.069 0.000 0.838 438 S HN 0.544 nan 8.310 nan 0.000 0.462 439 Y N 0.311 120.305 120.300 -0.511 0.000 2.181 439 Y HA -0.119 4.889 4.550 0.763 0.000 0.288 439 Y C 1.846 177.638 175.900 -0.181 0.000 1.146 439 Y CA 2.009 59.818 58.100 -0.485 0.000 1.164 439 Y CB -0.405 37.598 38.460 -0.761 0.000 0.982 439 Y HN 0.355 nan 8.280 nan 0.000 0.515 440 W N 1.104 122.226 121.300 -0.297 0.000 2.465 440 W HA -0.076 5.056 4.660 0.786 0.000 0.268 440 W C 1.693 178.106 176.519 -0.175 0.000 1.242 440 W CA 1.024 58.179 57.345 -0.316 0.000 1.248 440 W CB -0.652 28.579 29.460 -0.381 0.000 1.118 440 W HN 0.328 nan 8.180 nan 0.000 0.587 441 Q N -0.681 119.085 119.800 -0.057 0.000 2.320 441 Q HA 0.217 5.032 4.340 0.792 0.000 0.201 441 Q C 1.528 177.092 176.000 -0.727 0.000 0.910 441 Q CA 0.591 56.205 55.803 -0.315 0.000 0.946 441 Q CB 0.047 28.410 28.738 -0.624 0.000 1.062 441 Q HN 0.234 nan 8.270 nan 0.000 0.503 442 G N 0.922 109.254 108.800 -0.780 0.000 2.160 442 G HA2 -0.309 4.126 3.960 0.792 0.000 0.251 442 G HA3 -0.309 4.126 3.960 0.792 0.000 0.251 442 G C 0.142 174.742 174.900 -0.500 0.000 1.008 442 G CA 0.434 44.840 45.100 -1.156 0.000 0.724 442 G HN 0.638 nan 8.290 nan 0.000 0.514 443 H N -0.277 118.595 119.070 -0.331 0.000 2.539 443 H HA 0.186 5.214 4.556 0.786 0.000 0.267 443 H C 0.969 176.218 175.328 -0.131 0.000 0.982 443 H CA 0.213 56.148 56.048 -0.188 0.000 1.146 443 H CB 0.502 30.195 29.762 -0.115 0.000 1.382 443 H HN 0.398 nan 8.280 nan 0.000 0.577 444 E N 0.756 120.929 120.200 -0.045 0.000 2.243 444 E HA 0.003 4.828 4.350 0.792 0.000 0.260 444 E C 0.885 177.474 176.600 -0.019 0.000 0.985 444 E CA -0.248 56.156 56.400 0.006 0.000 0.858 444 E CB 1.148 30.873 29.700 0.042 0.000 1.210 444 E HN 0.523 nan 8.360 nan 0.000 0.411 445 E N 0.291 120.512 120.200 0.036 0.000 2.347 445 E HA -0.063 4.762 4.350 0.792 0.000 0.196 445 E C 0.722 177.268 176.600 -0.091 0.000 1.008 445 E CA 0.650 57.064 56.400 0.022 0.000 0.852 445 E CB -0.384 29.385 29.700 0.115 0.000 0.783 445 E HN 0.400 nan 8.360 nan 0.000 0.505 446 I N -1.033 119.464 120.570 -0.122 0.000 2.441 446 I HA 0.578 5.223 4.170 0.792 0.000 0.295 446 I C -0.217 175.714 176.117 -0.309 0.000 0.994 446 I CA -1.258 59.822 61.300 -0.367 0.000 1.144 446 I CB 1.722 39.568 38.000 -0.257 0.000 1.314 446 I HN -0.155 nan 8.210 nan 0.000 0.445 447 R N 3.668 123.793 120.500 -0.624 0.000 2.846 447 R HA 0.696 5.511 4.340 0.792 0.000 0.263 447 R C -1.516 174.431 176.300 -0.589 0.000 1.080 447 R CA -0.983 54.756 56.100 -0.602 0.000 0.961 447 R CB 2.291 32.334 30.300 -0.427 0.000 1.231 447 R HN 0.841 nan 8.270 nan 0.000 0.465 448 Q N 0.548 120.168 119.800 -0.300 0.000 2.594 448 Q HA 0.517 5.332 4.340 0.792 0.000 0.278 448 Q C -1.551 174.452 176.000 0.004 0.000 0.961 448 Q CA -0.969 54.750 55.803 -0.141 0.000 0.844 448 Q CB 1.675 30.389 28.738 -0.041 0.000 1.475 448 Q HN 0.632 nan 8.270 nan 0.000 0.389 449 I N -0.210 120.314 120.570 -0.077 0.000 2.498 449 I HA 0.904 5.549 4.170 0.792 0.000 0.290 449 I C -0.830 175.093 176.117 -0.324 0.000 1.032 449 I CA -0.599 60.561 61.300 -0.234 0.000 1.073 449 I CB 2.131 39.805 38.000 -0.543 0.000 1.251 449 I HN 0.884 nan 8.210 nan 0.000 0.426 450 S N 4.064 119.878 115.700 0.190 0.000 2.615 450 S HA 0.719 5.664 4.470 0.792 0.000 0.269 450 S C -1.117 173.928 174.600 0.742 0.000 1.161 450 S CA -0.924 57.560 58.200 0.473 0.000 0.817 450 S CB 2.329 65.815 63.200 0.476 0.000 1.131 450 S HN 0.910 nan 8.310 nan 0.000 0.467 451 K N 0.908 121.656 120.400 0.579 0.000 2.606 451 K HA 0.553 5.348 4.320 0.792 0.000 0.259 451 K C 0.043 176.802 176.600 0.264 0.000 1.001 451 K CA 0.079 56.609 56.287 0.404 0.000 0.881 451 K CB 1.119 33.783 32.500 0.274 0.000 1.288 451 K HN 0.908 nan 8.250 nan 0.000 0.452 452 S N 1.804 117.628 115.700 0.206 0.000 4.110 452 S HA -0.292 4.653 4.470 0.792 0.000 0.573 452 S C 0.445 175.091 174.600 0.076 0.000 1.936 452 S CA 1.873 60.102 58.200 0.050 0.000 4.227 452 S CB -0.989 62.173 63.200 -0.065 0.000 0.327 452 S HN 1.014 nan 8.310 nan 0.000 0.532 453 D N 1.968 122.336 120.400 -0.054 0.000 2.336 453 D HA 0.343 5.458 4.640 0.792 0.000 0.228 453 D C -0.250 176.190 176.300 0.234 0.000 1.120 453 D CA 0.122 54.184 54.000 0.103 0.000 0.839 453 D CB -0.302 40.509 40.800 0.019 0.000 0.932 453 D HN 0.334 nan 8.370 nan 0.000 0.509 454 D N 0.050 120.604 120.400 0.255 0.000 2.498 454 D HA 0.680 5.795 4.640 0.792 0.000 0.247 454 D C -1.172 175.388 176.300 0.434 0.000 1.070 454 D CA -0.700 53.472 54.000 0.286 0.000 0.842 454 D CB 1.901 42.795 40.800 0.156 0.000 1.361 454 D HN 0.160 nan 8.370 nan 0.000 0.484 455 A N 2.704 125.687 122.820 0.271 0.000 2.586 455 A HA 0.664 5.459 4.320 0.792 0.000 0.291 455 A C -1.558 175.884 177.584 -0.236 0.000 1.062 455 A CA -0.695 51.295 52.037 -0.077 0.000 0.666 455 A CB 1.195 19.937 19.000 -0.430 0.000 1.281 455 A HN 0.485 nan 8.150 nan 0.000 0.421 456 M N 1.600 120.963 119.600 -0.395 0.000 2.263 456 M HA 0.452 5.407 4.480 0.792 0.000 0.295 456 M C -1.448 174.811 176.300 -0.068 0.000 1.028 456 M CA -0.198 55.021 55.300 -0.136 0.000 0.921 456 M CB 1.830 34.393 32.600 -0.063 0.000 1.601 456 M HN 0.577 nan 8.290 nan 0.000 0.440 457 L N 2.361 123.524 121.223 -0.100 0.000 2.295 457 L HA 0.836 5.651 4.340 0.792 0.000 0.285 457 L C 0.432 176.955 176.870 -0.577 0.000 1.035 457 L CA -0.686 53.947 54.840 -0.345 0.000 0.806 457 L CB 1.465 43.386 42.059 -0.229 0.000 1.214 457 L HN 0.793 nan 8.230 nan 0.000 0.426 458 G N 2.013 109.952 108.800 -1.436 0.000 2.481 458 G HA2 0.602 5.037 3.960 0.792 0.000 0.315 458 G HA3 0.602 5.037 3.960 0.792 0.000 0.315 458 G C -1.848 172.278 174.900 -1.290 0.000 1.231 458 G CA -0.357 43.725 45.100 -1.696 0.000 0.968 458 G HN 0.477 nan 8.290 nan 0.000 0.482 459 W N 1.457 122.431 121.300 -0.543 0.000 2.781 459 W HA 0.390 5.117 4.660 0.112 0.000 0.333 459 W C 0.385 176.818 176.519 -0.143 0.000 1.047 459 W CA -0.614 56.574 57.345 -0.262 0.000 1.236 459 W CB 2.348 31.719 29.460 -0.148 0.000 1.394 459 W HN 0.806 nan 8.180 nan 0.000 0.466 460 T N -0.249 114.350 114.554 0.075 0.000 2.880 460 T HA 0.396 5.221 4.350 0.792 0.000 0.279 460 T C 0.418 175.216 174.700 0.162 0.000 0.990 460 T CA -0.765 61.414 62.100 0.132 0.000 0.938 460 T CB 1.247 70.174 68.868 0.099 0.000 1.206 460 T HN 0.029 nan 8.240 nan 0.000 0.573 461 K N 0.699 121.182 120.400 0.138 0.000 2.414 461 K HA 0.584 5.379 4.320 0.792 0.000 0.272 461 K C 0.689 177.358 176.600 0.115 0.000 0.993 461 K CA 0.548 56.909 56.287 0.122 0.000 0.964 461 K CB 0.340 32.896 32.500 0.094 0.000 0.925 461 K HN 1.141 nan 8.250 nan 0.000 0.487 462 G N 0.856 109.721 108.800 0.108 0.000 2.362 462 G HA2 -0.053 4.382 3.960 0.792 0.000 0.288 462 G HA3 -0.053 4.382 3.960 0.792 0.000 0.288 462 G C 0.263 175.210 174.900 0.079 0.000 1.305 462 G CA -0.815 44.340 45.100 0.091 0.000 0.910 462 G HN 0.449 nan 8.290 nan 0.000 0.518 463 R N -0.237 120.274 120.500 0.018 0.000 2.120 463 R HA 0.012 4.827 4.340 0.792 0.000 0.234 463 R C 2.832 179.184 176.300 0.087 0.000 1.123 463 R CA 1.853 57.906 56.100 -0.078 0.000 0.975 463 R CB -0.271 29.746 30.300 -0.472 0.000 0.866 463 R HN 0.596 nan 8.270 nan 0.000 0.446 464 A N 0.827 123.820 122.820 0.289 0.000 2.067 464 A HA -0.070 4.725 4.320 0.792 0.000 0.217 464 A C 1.942 179.703 177.584 0.295 0.000 1.156 464 A CA 0.410 52.700 52.037 0.421 0.000 0.683 464 A CB -0.202 19.130 19.000 0.553 0.000 0.808 464 A HN 0.189 nan 8.150 nan 0.000 0.455 465 L N -0.104 121.259 121.223 0.233 0.000 2.013 465 L HA -0.160 4.655 4.340 0.792 0.000 0.212 465 L C 2.405 179.286 176.870 0.019 0.000 1.073 465 L CA 2.307 57.210 54.840 0.106 0.000 0.753 465 L CB -0.733 41.423 42.059 0.161 0.000 0.890 465 L HN 0.209 nan 8.230 nan 0.000 0.432 466 V N -0.183 119.774 119.914 0.072 0.000 2.392 466 V HA -0.195 4.400 4.120 0.792 0.000 0.249 466 V C 2.379 178.480 176.094 0.012 0.000 1.059 466 V CA 2.039 64.377 62.300 0.064 0.000 1.051 466 V CB -0.864 30.981 31.823 0.038 0.000 0.658 466 V HN 0.634 nan 8.190 nan 0.000 0.455 467 G N -0.768 108.030 108.800 -0.003 0.000 2.408 467 G HA2 -0.119 4.316 3.960 0.792 0.000 0.217 467 G HA3 -0.119 4.316 3.960 0.792 0.000 0.217 467 G C 1.587 176.360 174.900 -0.211 0.000 1.150 467 G CA 0.759 45.852 45.100 -0.012 0.000 0.776 467 G HN 0.685 nan 8.290 nan 0.000 0.542 468 G N -0.058 108.384 108.800 -0.597 0.000 2.440 468 G HA2 -0.250 4.185 3.960 0.792 0.000 0.218 468 G HA3 -0.250 4.185 3.960 0.792 0.000 0.218 468 G C 1.635 176.028 174.900 -0.844 0.000 1.154 468 G CA 1.062 45.275 45.100 -1.478 0.000 0.767 468 G HN 0.511 nan 8.290 nan 0.000 0.552 469 H N 0.307 119.139 119.070 -0.397 0.000 2.423 469 H HA 0.066 5.100 4.556 0.795 0.000 0.297 469 H C 2.854 178.124 175.328 -0.096 0.000 1.075 469 H CA 1.023 56.967 56.048 -0.172 0.000 1.342 469 H CB 0.096 29.783 29.762 -0.126 0.000 1.395 469 H HN 0.321 nan 8.280 nan 0.000 0.530 470 R N 0.170 120.671 120.500 0.002 0.000 2.075 470 R HA -0.106 4.709 4.340 0.792 0.000 0.232 470 R C 2.371 178.665 176.300 -0.009 0.000 1.126 470 R CA 0.767 56.873 56.100 0.010 0.000 0.963 470 R CB -0.335 29.977 30.300 0.020 0.000 0.858 470 R HN 0.119 nan 8.270 nan 0.000 0.435 471 L N 0.503 121.689 121.223 -0.062 0.000 2.017 471 L HA -0.172 4.643 4.340 0.792 0.000 0.208 471 L C 2.031 178.930 176.870 0.047 0.000 1.073 471 L CA 1.690 56.484 54.840 -0.076 0.000 0.745 471 L CB -0.800 41.199 42.059 -0.099 0.000 0.894 471 L HN 0.037 nan 8.230 nan 0.000 0.432 472 F N 0.859 120.712 119.950 -0.162 0.000 2.126 472 F HA -0.210 4.792 4.527 0.792 0.000 0.299 472 F C 2.514 178.320 175.800 0.009 0.000 1.096 472 F CA 1.930 59.884 58.000 -0.077 0.000 1.255 472 F CB -0.686 38.226 39.000 -0.147 0.000 0.997 472 F HN 0.320 nan 8.300 nan 0.000 0.479 473 E N 0.294 120.546 120.200 0.086 0.000 2.077 473 E HA -0.268 4.557 4.350 0.792 0.000 0.193 473 E C 2.403 178.993 176.600 -0.018 0.000 0.989 473 E CA 1.797 58.199 56.400 0.003 0.000 0.800 473 E CB -0.592 29.121 29.700 0.021 0.000 0.746 473 E HN 0.510 nan 8.360 nan 0.000 0.452 474 M N -0.449 119.156 119.600 0.009 0.000 2.117 474 M HA -0.168 4.787 4.480 0.792 0.000 0.262 474 M C 1.802 178.126 176.300 0.040 0.000 1.065 474 M CA 1.477 56.778 55.300 0.002 0.000 1.114 474 M CB -0.088 32.488 32.600 -0.040 0.000 1.361 474 M HN 0.201 nan 8.290 nan 0.000 0.408 475 L N 0.290 121.572 121.223 0.098 0.000 2.046 475 L HA -0.220 4.595 4.340 0.792 0.000 0.208 475 L C 2.664 179.658 176.870 0.207 0.000 1.077 475 L CA 1.656 56.626 54.840 0.215 0.000 0.747 475 L CB -0.769 41.503 42.059 0.354 0.000 0.896 475 L HN 0.395 nan 8.230 nan 0.000 0.432 476 K N 0.494 120.858 120.400 -0.059 0.000 2.063 476 K HA -0.220 4.575 4.320 0.792 0.000 0.208 476 K C 1.895 178.444 176.600 -0.084 0.000 1.048 476 K CA 1.651 57.750 56.287 -0.313 0.000 0.928 476 K CB -0.014 32.085 32.500 -0.668 0.000 0.713 476 K HN 0.342 nan 8.250 nan 0.000 0.442 477 E N -0.569 119.595 120.200 -0.061 0.000 2.153 477 E HA -0.100 4.725 4.350 0.792 0.000 0.194 477 E C 0.926 177.547 176.600 0.035 0.000 0.988 477 E CA 0.670 57.055 56.400 -0.025 0.000 0.811 477 E CB -0.192 29.494 29.700 -0.023 0.000 0.746 477 E HN 0.628 nan 8.360 nan 0.000 0.466 478 G N 1.681 110.530 108.800 0.082 0.000 2.341 478 G HA2 -0.342 4.093 3.960 0.792 0.000 0.292 478 G HA3 -0.342 4.093 3.960 0.792 0.000 0.292 478 G C 0.586 175.522 174.900 0.060 0.000 1.021 478 G CA 1.225 46.386 45.100 0.101 0.000 0.905 478 G HN 0.285 nan 8.290 nan 0.000 0.508 479 K N -1.635 118.791 120.400 0.044 0.000 2.370 479 K HA 0.373 5.168 4.320 0.792 0.000 0.194 479 K C 0.539 177.160 176.600 0.035 0.000 1.070 479 K CA 0.486 56.793 56.287 0.033 0.000 0.998 479 K CB 1.259 33.772 32.500 0.023 0.000 0.911 479 K HN 0.278 nan 8.250 nan 0.000 0.533 480 V N 2.208 122.146 119.914 0.040 0.000 2.531 480 V HA 0.172 4.767 4.120 0.792 0.000 0.301 480 V C -0.873 175.250 176.094 0.049 0.000 1.034 480 V CA -1.335 60.990 62.300 0.042 0.000 0.865 480 V CB 1.516 33.366 31.823 0.044 0.000 0.995 480 V HN 0.147 nan 8.190 nan 0.000 0.424 481 N N 7.021 125.750 118.700 0.048 0.000 2.452 481 N HA 0.195 5.410 4.740 0.792 0.000 0.266 481 N C -0.947 174.612 175.510 0.080 0.000 1.209 481 N CA -1.528 51.555 53.050 0.055 0.000 0.929 481 N CB 1.265 39.770 38.487 0.031 0.000 1.063 481 N HN 0.416 nan 8.380 nan 0.000 0.472 482 P HA -0.023 nan 4.420 nan 0.000 0.237 482 P C -0.270 177.195 177.300 0.275 0.000 1.178 482 P CA 0.414 63.606 63.100 0.153 0.000 0.766 482 P CB 0.443 32.141 31.700 -0.003 0.000 0.876 483 S N 0.663 116.453 115.700 0.149 0.000 2.536 483 S HA 0.494 5.439 4.470 0.792 0.000 0.298 483 S C -2.098 172.474 174.600 -0.046 0.000 1.083 483 S CA -1.873 56.382 58.200 0.091 0.000 0.995 483 S CB 1.823 65.113 63.200 0.150 0.000 1.058 483 S HN -0.137 nan 8.310 nan 0.000 0.488 484 P HA 0.117 nan 4.420 nan 0.000 0.245 484 P C 0.208 177.303 177.300 -0.343 0.000 1.203 484 P CA 0.426 63.310 63.100 -0.360 0.000 0.792 484 P CB 0.074 31.439 31.700 -0.557 0.000 0.997 485 Y N -0.752 119.625 120.300 0.127 0.000 2.343 485 Y HA 0.256 5.279 4.550 0.787 0.000 0.294 485 Y C 1.702 177.627 175.900 0.041 0.000 1.122 485 Y CA 0.552 58.742 58.100 0.151 0.000 1.173 485 Y CB -0.131 38.473 38.460 0.240 0.000 1.077 485 Y HN -0.146 nan 8.280 nan 0.000 0.542 486 M N -0.317 119.363 119.600 0.132 0.000 2.664 486 M HA 0.308 5.263 4.480 0.792 0.000 0.279 486 M C -0.962 175.292 176.300 -0.077 0.000 1.275 486 M CA -1.037 54.245 55.300 -0.029 0.000 0.829 486 M CB 1.854 34.488 32.600 0.057 0.000 1.727 486 M HN -0.276 nan 8.290 nan 0.000 0.459 487 K N 2.281 122.552 120.400 -0.215 0.000 2.292 487 K HA 0.468 5.263 4.320 0.792 0.000 0.290 487 K C -0.602 176.008 176.600 0.017 0.000 1.083 487 K CA -0.153 56.057 56.287 -0.127 0.000 0.918 487 K CB 0.035 32.404 32.500 -0.218 0.000 1.089 487 K HN 0.457 nan 8.250 nan 0.000 0.473 488 I N 2.078 122.696 120.570 0.081 0.000 2.412 488 I HA 0.263 4.908 4.170 0.792 0.000 0.296 488 I C 0.820 177.023 176.117 0.142 0.000 0.987 488 I CA -0.393 61.001 61.300 0.157 0.000 1.180 488 I CB 1.316 39.449 38.000 0.221 0.000 1.340 488 I HN 0.542 nan 8.210 nan 0.000 0.455 489 S N 5.125 120.916 115.700 0.151 0.000 2.794 489 S HA 0.686 5.631 4.470 0.792 0.000 0.299 489 S C -0.936 173.780 174.600 0.193 0.000 1.179 489 S CA -0.808 57.475 58.200 0.138 0.000 0.838 489 S CB 1.779 64.995 63.200 0.026 0.000 1.206 489 S HN 0.462 nan 8.310 nan 0.000 0.523 490 Y N -0.003 120.404 120.300 0.179 0.000 2.352 490 Y HA 0.708 5.733 4.550 0.791 0.000 0.326 490 Y C 0.069 176.090 175.900 0.201 0.000 1.166 490 Y CA -0.973 57.255 58.100 0.214 0.000 1.182 490 Y CB 0.560 39.204 38.460 0.306 0.000 1.216 490 Y HN 0.885 nan 8.280 nan 0.000 0.474 491 E N 2.893 123.207 120.200 0.190 0.000 2.344 491 E HA -0.039 4.786 4.350 0.792 0.000 0.270 491 E C -0.776 175.929 176.600 0.175 0.000 1.021 491 E CA -0.391 56.081 56.400 0.119 0.000 0.887 491 E CB 0.339 30.141 29.700 0.170 0.000 0.997 491 E HN 0.850 nan 8.360 nan 0.000 0.429 492 H N 4.217 123.286 119.070 -0.002 0.000 3.157 492 H HA 0.205 5.236 4.556 0.792 0.000 0.260 492 H C -0.101 175.310 175.328 0.137 0.000 1.232 492 H CA 1.017 57.123 56.048 0.096 0.000 1.488 492 H CB -0.257 29.512 29.762 0.012 0.000 1.548 492 H HN 0.857 nan 8.280 nan 0.000 0.487 493 G N 3.802 112.591 108.800 -0.018 0.000 2.970 493 G HA2 -0.190 4.245 3.960 0.792 0.000 0.249 493 G HA3 -0.190 4.245 3.960 0.792 0.000 0.249 493 G C 0.502 175.480 174.900 0.129 0.000 1.113 493 G CA -0.348 44.767 45.100 0.025 0.000 1.119 493 G HN 0.930 nan 8.290 nan 0.000 0.552 494 G N -0.139 108.778 108.800 0.195 0.000 2.178 494 G HA2 0.631 5.066 3.960 0.792 0.000 0.244 494 G HA3 0.631 5.066 3.960 0.792 0.000 0.244 494 G C 0.544 175.572 174.900 0.214 0.000 1.213 494 G CA 0.970 46.205 45.100 0.225 0.000 0.912 494 G HN 2.010 nan 8.290 nan 0.000 0.474 495 A N 1.958 124.917 122.820 0.231 0.000 2.594 495 A HA 0.794 5.589 4.320 0.792 0.000 0.291 495 A C -1.626 176.158 177.584 0.334 0.000 1.105 495 A CA -0.683 51.514 52.037 0.267 0.000 0.694 495 A CB 1.892 20.995 19.000 0.172 0.000 1.291 495 A HN 1.162 nan 8.150 nan 0.000 0.410 496 F N 1.715 121.727 119.950 0.103 0.000 2.579 496 F HA 0.564 5.573 4.527 0.803 0.000 0.325 496 F C -0.330 175.370 175.800 -0.166 0.000 1.162 496 F CA -1.147 56.820 58.000 -0.055 0.000 0.946 496 F CB 1.253 40.171 39.000 -0.137 0.000 1.211 496 F HN 0.425 nan 8.300 nan 0.000 0.447 497 L N 6.142 126.967 121.223 -0.664 0.000 3.677 497 L HA -0.117 4.698 4.340 0.792 0.000 0.464 497 L C 1.185 177.848 176.870 -0.346 0.000 1.278 497 L CA 1.477 55.955 54.840 -0.604 0.000 0.806 497 L CB -1.571 39.927 42.059 -0.935 0.000 1.610 497 L HN 1.234 nan 8.230 nan 0.000 0.867 498 G N -2.018 106.680 108.800 -0.169 0.000 2.320 498 G HA2 -0.258 4.177 3.960 0.792 0.000 0.242 498 G HA3 -0.258 4.177 3.960 0.792 0.000 0.242 498 G C 0.223 175.105 174.900 -0.030 0.000 1.033 498 G CA 0.257 45.308 45.100 -0.082 0.000 0.620 498 G HN 0.488 nan 8.290 nan 0.000 0.517 499 D N 0.987 121.353 120.400 -0.056 0.000 2.232 499 D HA 0.532 5.647 4.640 0.792 0.000 0.242 499 D C 0.712 177.176 176.300 0.273 0.000 1.093 499 D CA -0.258 53.783 54.000 0.067 0.000 0.845 499 D CB 1.352 42.125 40.800 -0.045 0.000 1.124 499 D HN 0.340 nan 8.370 nan 0.000 0.467 500 I N 1.946 122.662 120.570 0.242 0.000 2.474 500 I HA -0.001 4.644 4.170 0.792 0.000 0.287 500 I C 0.236 176.449 176.117 0.161 0.000 1.048 500 I CA -0.703 60.721 61.300 0.207 0.000 1.383 500 I CB 0.969 39.044 38.000 0.124 0.000 1.412 500 I HN 0.080 nan 8.210 nan 0.000 0.531 501 L N 8.199 129.421 121.223 -0.002 0.000 2.312 501 L HA 0.281 5.096 4.340 0.792 0.000 0.287 501 L C -0.577 176.125 176.870 -0.280 0.000 1.091 501 L CA -0.216 54.341 54.840 -0.472 0.000 0.846 501 L CB 0.577 42.276 42.059 -0.599 0.000 1.219 501 L HN 0.411 nan 8.230 nan 0.000 0.439 502 L N 6.160 127.233 121.223 -0.250 0.000 2.283 502 L HA 0.368 5.183 4.340 0.792 0.000 0.287 502 L C -0.873 175.917 176.870 -0.134 0.000 1.073 502 L CA 0.264 55.054 54.840 -0.082 0.000 0.822 502 L CB 0.049 42.090 42.059 -0.029 0.000 1.186 502 L HN 0.460 nan 8.230 nan 0.000 0.436 503 Y N 2.828 123.144 120.300 0.027 0.000 2.354 503 Y HA 0.365 5.387 4.550 0.786 0.000 0.322 503 Y C 0.532 176.477 175.900 0.075 0.000 1.253 503 Y CA -0.381 57.740 58.100 0.036 0.000 1.272 503 Y CB 0.968 39.466 38.460 0.063 0.000 1.255 503 Y HN 0.761 nan 8.280 nan 0.000 0.500 504 D N -1.712 118.820 120.400 0.220 0.000 2.570 504 D HA 0.146 5.261 4.640 0.792 0.000 0.266 504 D C 1.083 177.451 176.300 0.113 0.000 1.182 504 D CA -0.030 54.058 54.000 0.147 0.000 1.088 504 D CB -0.294 40.558 40.800 0.088 0.000 1.186 504 D HN 0.373 nan 8.370 nan 0.000 0.618 505 S N -1.079 114.657 115.700 0.060 0.000 2.419 505 S HA -0.168 4.777 4.470 0.792 0.000 0.233 505 S C 1.775 176.378 174.600 0.005 0.000 1.016 505 S CA 0.664 58.869 58.200 0.008 0.000 0.974 505 S CB -0.501 62.701 63.200 0.004 0.000 0.786 505 S HN 0.415 nan 8.310 nan 0.000 0.492 506 R N 0.579 121.101 120.500 0.037 0.000 2.189 506 R HA 0.206 5.021 4.340 0.792 0.000 0.218 506 R C 0.121 176.445 176.300 0.040 0.000 1.074 506 R CA 0.314 56.434 56.100 0.034 0.000 0.991 506 R CB -0.088 30.242 30.300 0.051 0.000 0.883 506 R HN 0.162 nan 8.270 nan 0.000 0.457 507 R N 1.318 121.869 120.500 0.085 0.000 3.333 507 R HA -0.166 4.649 4.340 0.792 0.000 0.256 507 R C -1.236 175.137 176.300 0.121 0.000 1.010 507 R CA 0.974 57.095 56.100 0.035 0.000 0.680 507 R CB -2.308 27.900 30.300 -0.153 0.000 1.102 507 R HN 0.518 nan 8.270 nan 0.000 0.440 508 E N -0.814 119.578 120.200 0.320 0.000 2.317 508 E HA 0.266 5.091 4.350 0.792 0.000 0.270 508 E C -2.002 174.781 176.600 0.305 0.000 0.885 508 E CA -2.258 54.314 56.400 0.287 0.000 0.760 508 E CB 1.806 31.599 29.700 0.156 0.000 1.227 508 E HN -0.241 nan 8.360 nan 0.000 0.434 509 P HA -0.180 nan 4.420 nan 0.000 0.216 509 P C 1.331 178.610 177.300 -0.034 0.000 1.150 509 P CA 1.416 64.548 63.100 0.053 0.000 0.837 509 P CB 0.142 31.938 31.700 0.159 0.000 0.786 510 G N -0.257 108.567 108.800 0.041 0.000 2.442 510 G HA2 -0.224 4.211 3.960 0.792 0.000 0.219 510 G HA3 -0.224 4.211 3.960 0.792 0.000 0.219 510 G C 1.242 176.132 174.900 -0.018 0.000 1.141 510 G CA 1.230 46.338 45.100 0.014 0.000 0.763 510 G HN 0.450 nan 8.290 nan 0.000 0.554 511 S N -0.616 115.081 115.700 -0.005 0.000 2.561 511 S HA 0.736 5.681 4.470 0.792 0.000 0.245 511 S C 0.487 175.049 174.600 -0.064 0.000 1.001 511 S CA 0.116 58.306 58.200 -0.017 0.000 1.002 511 S CB 0.588 63.801 63.200 0.022 0.000 0.805 511 S HN 0.549 nan 8.310 nan 0.000 0.458 512 A N 1.934 124.650 122.820 -0.173 0.000 2.294 512 A HA 0.897 5.692 4.320 0.792 0.000 0.330 512 A C -0.152 177.232 177.584 -0.333 0.000 1.133 512 A CA -1.114 50.714 52.037 -0.347 0.000 0.836 512 A CB 0.666 19.197 19.000 -0.782 0.000 1.190 512 A HN 0.935 nan 8.150 nan 0.000 0.492 513 I N -2.648 117.718 120.570 -0.340 0.000 2.769 513 I HA 0.643 5.288 4.170 0.792 0.000 0.298 513 I C -1.406 174.535 176.117 -0.293 0.000 1.128 513 I CA -0.778 60.371 61.300 -0.252 0.000 1.031 513 I CB 1.987 39.922 38.000 -0.108 0.000 1.235 513 I HN 0.480 nan 8.210 nan 0.000 0.423 514 F N 4.622 124.501 119.950 -0.117 0.000 2.420 514 F HA 0.560 5.560 4.527 0.788 0.000 0.352 514 F C 0.442 176.203 175.800 -0.065 0.000 1.108 514 F CA -0.355 57.591 58.000 -0.090 0.000 1.162 514 F CB 1.775 40.722 39.000 -0.088 0.000 1.118 514 F HN 0.425 nan 8.300 nan 0.000 0.510 515 V N 1.272 121.282 119.914 0.160 0.000 2.914 515 V HA 0.877 5.472 4.120 0.792 0.000 0.314 515 V C 0.152 176.302 176.094 0.093 0.000 1.084 515 V CA -1.012 61.340 62.300 0.086 0.000 0.963 515 V CB 1.054 32.912 31.823 0.057 0.000 1.025 515 V HN 0.818 nan 8.190 nan 0.000 0.432 516 G N 1.303 110.130 108.800 0.044 0.000 2.664 516 G HA2 0.167 4.602 3.960 0.792 0.000 0.242 516 G HA3 0.167 4.602 3.960 0.792 0.000 0.242 516 G C -0.075 174.938 174.900 0.188 0.000 1.225 516 G CA -0.199 44.927 45.100 0.044 0.000 0.849 516 G HN 1.006 nan 8.290 nan 0.000 0.581 517 N N 0.707 119.556 118.700 0.248 0.000 2.462 517 N HA 0.078 5.293 4.740 0.792 0.000 0.242 517 N C 1.176 176.881 175.510 0.324 0.000 1.010 517 N CA -0.755 52.437 53.050 0.236 0.000 0.939 517 N CB 1.120 39.711 38.487 0.173 0.000 1.127 517 N HN 0.237 nan 8.380 nan 0.000 0.509 518 I N 4.317 125.038 120.570 0.253 0.000 2.335 518 I HA -0.192 4.453 4.170 0.792 0.000 0.251 518 I C 1.733 177.935 176.117 0.142 0.000 1.129 518 I CA 1.161 62.576 61.300 0.192 0.000 1.402 518 I CB -0.429 37.689 38.000 0.196 0.000 1.069 518 I HN 0.628 nan 8.210 nan 0.000 0.424 519 N N -0.386 118.406 118.700 0.155 0.000 2.223 519 N HA -0.157 5.058 4.740 0.792 0.000 0.185 519 N C 1.859 177.435 175.510 0.111 0.000 1.016 519 N CA 1.612 54.737 53.050 0.125 0.000 0.863 519 N CB -0.053 38.418 38.487 -0.026 0.000 0.983 519 N HN 0.329 nan 8.380 nan 0.000 0.429 520 S N -0.155 115.620 115.700 0.126 0.000 2.402 520 S HA -0.088 4.857 4.470 0.792 0.000 0.229 520 S C 1.822 176.470 174.600 0.079 0.000 1.021 520 S CA 0.723 59.012 58.200 0.149 0.000 0.974 520 S CB -0.219 63.124 63.200 0.237 0.000 0.800 520 S HN 0.448 nan 8.310 nan 0.000 0.484 521 M N 1.226 120.712 119.600 -0.189 0.000 2.117 521 M HA -0.059 4.896 4.480 0.792 0.000 0.262 521 M C 1.716 177.922 176.300 -0.156 0.000 1.065 521 M CA 1.485 56.443 55.300 -0.570 0.000 1.114 521 M CB -0.250 31.646 32.600 -1.173 0.000 1.361 521 M HN 0.264 nan 8.290 nan 0.000 0.408 522 L N 0.301 121.528 121.223 0.008 0.000 2.046 522 L HA -0.250 4.565 4.340 0.792 0.000 0.208 522 L C 2.169 179.166 176.870 0.213 0.000 1.077 522 L CA 0.990 55.950 54.840 0.201 0.000 0.747 522 L CB -1.102 41.157 42.059 0.333 0.000 0.896 522 L HN 0.377 nan 8.230 nan 0.000 0.432 523 N N 0.523 119.321 118.700 0.165 0.000 2.043 523 N HA -0.191 5.024 4.740 0.792 0.000 0.193 523 N C 1.546 177.143 175.510 0.145 0.000 1.037 523 N CA 1.581 54.729 53.050 0.165 0.000 0.851 523 N CB -0.652 37.906 38.487 0.119 0.000 1.027 523 N HN 0.440 nan 8.380 nan 0.000 0.422 524 N N 0.647 119.415 118.700 0.112 0.000 2.120 524 N HA -0.121 5.094 4.740 0.792 0.000 0.188 524 N C 1.615 177.181 175.510 0.094 0.000 1.024 524 N CA 0.823 53.945 53.050 0.120 0.000 0.852 524 N CB -0.054 38.527 38.487 0.158 0.000 1.003 524 N HN 0.412 nan 8.380 nan 0.000 0.424 525 Q N -0.550 119.231 119.800 -0.032 0.000 2.187 525 Q HA 0.011 4.826 4.340 0.792 0.000 0.199 525 Q C 0.743 176.653 176.000 -0.151 0.000 0.957 525 Q CA 0.953 56.652 55.803 -0.174 0.000 0.857 525 Q CB 0.235 28.635 28.738 -0.565 0.000 0.929 525 Q HN 0.436 nan 8.270 nan 0.000 0.453 526 F N -1.599 118.631 119.950 0.466 0.000 2.728 526 F HA 0.253 5.255 4.527 0.792 0.000 0.314 526 F C 0.558 176.655 175.800 0.496 0.000 1.094 526 F CA -0.333 58.038 58.000 0.619 0.000 1.217 526 F CB 1.239 40.595 39.000 0.594 0.000 1.056 526 F HN -0.292 nan 8.300 nan 0.000 0.577 527 S N 1.597 117.547 115.700 0.416 0.000 2.399 527 S HA 0.224 5.169 4.470 0.792 0.000 0.198 527 S C -2.547 172.153 174.600 0.167 0.000 1.294 527 S CA -0.975 57.408 58.200 0.304 0.000 1.237 527 S CB 0.211 63.572 63.200 0.268 0.000 1.286 527 S HN -0.129 nan 8.310 nan 0.000 0.404 528 P HA 0.055 nan 4.420 nan 0.000 0.270 528 P C 0.608 177.912 177.300 0.007 0.000 1.223 528 P CA -0.020 63.114 63.100 0.056 0.000 0.785 528 P CB 0.949 32.648 31.700 -0.002 0.000 0.923 529 E N 0.837 121.010 120.200 -0.045 0.000 2.216 529 E HA -0.099 4.726 4.350 0.792 0.000 0.192 529 E C -0.331 176.003 176.600 -0.443 0.000 0.988 529 E CA 0.674 56.919 56.400 -0.258 0.000 0.834 529 E CB 0.049 29.526 29.700 -0.371 0.000 0.772 529 E HN 0.474 nan 8.360 nan 0.000 0.479 530 Y N -1.235 119.059 120.300 -0.011 0.000 2.570 530 Y HA 0.517 5.542 4.550 0.791 0.000 0.345 530 Y C 0.788 176.653 175.900 -0.058 0.000 1.014 530 Y CA -0.887 57.194 58.100 -0.033 0.000 1.063 530 Y CB 1.704 40.147 38.460 -0.029 0.000 1.272 530 Y HN -0.087 nan 8.280 nan 0.000 0.477 531 G N -0.037 108.833 108.800 0.117 0.000 2.588 531 G HA2 0.319 4.754 3.960 0.792 0.000 0.278 531 G HA3 0.319 4.754 3.960 0.792 0.000 0.278 531 G C 0.785 175.684 174.900 -0.001 0.000 1.307 531 G CA -0.105 45.003 45.100 0.013 0.000 1.016 531 G HN 0.758 nan 8.290 nan 0.000 0.503 532 V N -3.231 116.659 119.914 -0.040 0.000 3.380 532 V HA 0.120 4.715 4.120 0.792 0.000 0.268 532 V C 0.954 177.012 176.094 -0.060 0.000 1.168 532 V CA 1.147 63.418 62.300 -0.048 0.000 1.156 532 V CB -1.419 30.384 31.823 -0.033 0.000 0.785 532 V HN 0.767 nan 8.190 nan 0.000 0.487 533 Q N 1.338 121.109 119.800 -0.048 0.000 2.439 533 Q HA -0.236 4.579 4.340 0.792 0.000 0.325 533 Q C 1.430 177.395 176.000 -0.059 0.000 1.372 533 Q CA 0.596 56.366 55.803 -0.056 0.000 0.909 533 Q CB -1.660 27.030 28.738 -0.080 0.000 1.167 533 Q HN 1.018 nan 8.270 nan 0.000 0.418 534 S N -2.400 113.274 115.700 -0.043 0.000 2.500 534 S HA -0.061 4.884 4.470 0.792 0.000 0.239 534 S C 1.562 176.143 174.600 -0.031 0.000 0.989 534 S CA 0.697 58.874 58.200 -0.037 0.000 0.951 534 S CB 0.235 63.422 63.200 -0.021 0.000 0.759 534 S HN 0.624 nan 8.310 nan 0.000 0.523 535 G N 0.566 109.348 108.800 -0.031 0.000 2.939 535 G HA2 0.285 4.720 3.960 0.792 0.000 0.210 535 G HA3 0.285 4.720 3.960 0.792 0.000 0.210 535 G C 0.169 175.052 174.900 -0.027 0.000 1.160 535 G CA -0.166 44.920 45.100 -0.024 0.000 0.770 535 G HN 0.436 nan 8.290 nan 0.000 0.543 536 V N 2.714 122.604 119.914 -0.039 0.000 2.356 536 V HA 0.170 4.765 4.120 0.792 0.000 0.258 536 V C 1.326 177.401 176.094 -0.032 0.000 1.065 536 V CA -0.742 61.534 62.300 -0.041 0.000 0.935 536 V CB 0.912 32.698 31.823 -0.063 0.000 1.061 536 V HN 0.210 nan 8.190 nan 0.000 0.484 537 R N 2.012 122.506 120.500 -0.010 0.000 2.091 537 R HA -0.095 4.720 4.340 0.792 0.000 0.238 537 R C 0.919 177.250 176.300 0.052 0.000 1.136 537 R CA 0.830 56.939 56.100 0.014 0.000 0.959 537 R CB -0.321 29.988 30.300 0.016 0.000 0.856 537 R HN 0.700 nan 8.270 nan 0.000 0.437 538 D N 1.204 121.633 120.400 0.049 0.000 2.374 538 D HA 0.035 5.150 4.640 0.792 0.000 0.240 538 D C 0.731 177.052 176.300 0.035 0.000 1.229 538 D CA 0.016 54.089 54.000 0.121 0.000 0.895 538 D CB 0.467 41.319 40.800 0.086 0.000 1.046 538 D HN 0.006 nan 8.370 nan 0.000 0.498 539 R N 1.429 121.919 120.500 -0.017 0.000 2.120 539 R HA -0.132 4.683 4.340 0.792 0.000 0.234 539 R C 2.148 178.186 176.300 -0.436 0.000 1.123 539 R CA 1.367 57.220 56.100 -0.411 0.000 0.975 539 R CB -0.136 29.640 30.300 -0.873 0.000 0.866 539 R HN 0.450 nan 8.270 nan 0.000 0.446 540 S N 0.875 116.420 115.700 -0.258 0.000 2.469 540 S HA -0.107 4.838 4.470 0.792 0.000 0.238 540 S C 1.591 176.136 174.600 -0.092 0.000 0.998 540 S CA 0.940 59.066 58.200 -0.123 0.000 0.957 540 S CB 0.012 63.262 63.200 0.083 0.000 0.764 540 S HN 0.275 nan 8.310 nan 0.000 0.514 541 K N 0.480 120.829 120.400 -0.085 0.000 2.400 541 K HA 0.189 4.984 4.320 0.792 0.000 0.194 541 K C 0.653 177.176 176.600 -0.129 0.000 1.033 541 K CA -0.046 56.190 56.287 -0.085 0.000 1.021 541 K CB 0.180 32.647 32.500 -0.055 0.000 0.808 541 K HN 0.388 nan 8.250 nan 0.000 0.505 542 R N 1.016 121.414 120.500 -0.171 0.000 2.679 542 R HA 0.090 4.905 4.340 0.792 0.000 0.269 542 R C 1.073 177.247 176.300 -0.209 0.000 1.076 542 R CA -0.290 55.694 56.100 -0.193 0.000 1.160 542 R CB 0.423 30.592 30.300 -0.219 0.000 1.054 542 R HN -0.152 nan 8.270 nan 0.000 0.507 543 K N 1.717 121.957 120.400 -0.267 0.000 2.211 543 K HA -0.085 4.710 4.320 0.792 0.000 0.203 543 K C 0.377 176.896 176.600 -0.136 0.000 1.050 543 K CA 1.345 57.442 56.287 -0.315 0.000 0.945 543 K CB 0.102 32.162 32.500 -0.733 0.000 0.732 543 K HN 0.423 nan 8.250 nan 0.000 0.451 544 R N 0.294 120.723 120.500 -0.119 0.000 2.547 544 R HA 0.174 4.989 4.340 0.792 0.000 0.280 544 R C -2.200 173.997 176.300 -0.170 0.000 1.630 544 R CA -1.372 54.689 56.100 -0.065 0.000 1.470 544 R CB 1.207 31.504 30.300 -0.005 0.000 1.178 544 R HN -0.129 nan 8.270 nan 0.000 0.591 545 P HA -0.158 nan 4.420 nan 0.000 0.214 545 P C -0.284 176.414 177.300 -1.004 0.000 1.163 545 P CA 1.398 64.123 63.100 -0.625 0.000 0.889 545 P CB 0.243 31.666 31.700 -0.461 0.000 0.790 546 F N -3.719 116.184 119.950 -0.078 0.000 2.710 546 F HA 0.339 5.341 4.527 0.791 0.000 0.345 546 F C -1.943 173.855 175.800 -0.003 0.000 1.362 546 F CA -2.014 55.951 58.000 -0.058 0.000 1.175 546 F CB 1.022 39.975 39.000 -0.078 0.000 1.561 546 F HN -0.098 nan 8.300 nan 0.000 0.593 547 P HA -0.168 nan 4.420 nan 0.000 0.216 547 P C 1.931 179.316 177.300 0.143 0.000 1.150 547 P CA 1.686 64.882 63.100 0.160 0.000 0.843 547 P CB 0.263 32.092 31.700 0.214 0.000 0.787 548 G N -0.350 108.494 108.800 0.073 0.000 2.448 548 G HA2 -0.210 4.225 3.960 0.792 0.000 0.219 548 G HA3 -0.210 4.225 3.960 0.792 0.000 0.219 548 G C 1.401 176.336 174.900 0.060 0.000 1.127 548 G CA 0.366 45.456 45.100 -0.016 0.000 0.766 548 G HN 0.252 nan 8.290 nan 0.000 0.552 549 L N 0.495 121.780 121.223 0.104 0.000 2.201 549 L HA -0.030 4.785 4.340 0.792 0.000 0.212 549 L C 3.285 180.229 176.870 0.124 0.000 1.105 549 L CA 0.724 55.619 54.840 0.092 0.000 0.775 549 L CB -0.436 41.661 42.059 0.063 0.000 0.913 549 L HN 0.290 nan 8.230 nan 0.000 0.440 550 A N -0.275 122.642 122.820 0.161 0.000 2.024 550 A HA -0.261 4.534 4.320 0.792 0.000 0.220 550 A C 2.160 179.878 177.584 0.224 0.000 1.164 550 A CA 1.147 53.297 52.037 0.189 0.000 0.643 550 A CB -0.898 18.234 19.000 0.221 0.000 0.806 550 A HN 0.702 nan 8.150 nan 0.000 0.451 551 W N 0.409 121.709 121.300 0.000 0.000 2.374 551 W HA -0.132 5.004 4.660 0.792 0.000 0.288 551 W C 2.086 178.611 176.519 0.011 0.000 1.218 551 W CA 1.363 58.697 57.345 -0.019 0.000 1.245 551 W CB -0.017 29.376 29.460 -0.112 0.000 1.126 551 W HN 0.435 nan 8.180 nan 0.000 0.545 552 A N -0.092 122.793 122.820 0.108 0.000 2.167 552 A HA -0.106 4.689 4.320 0.792 0.000 0.214 552 A C 1.794 179.354 177.584 -0.039 0.000 1.151 552 A CA 1.631 53.672 52.037 0.007 0.000 0.735 552 A CB -0.707 18.311 19.000 0.031 0.000 0.802 552 A HN 0.273 nan 8.150 nan 0.000 0.467 553 S N -1.794 113.898 115.700 -0.013 0.000 2.559 553 S HA 0.133 5.078 4.470 0.792 0.000 0.226 553 S C 1.636 176.231 174.600 -0.007 0.000 1.000 553 S CA 0.500 58.686 58.200 -0.023 0.000 0.948 553 S CB -0.439 62.760 63.200 -0.002 0.000 0.870 553 S HN 0.485 nan 8.310 nan 0.000 0.497 554 M N 1.992 121.594 119.600 0.004 0.000 2.082 554 M HA -0.173 4.782 4.480 0.792 0.000 0.258 554 M C 2.140 178.494 176.300 0.090 0.000 1.069 554 M CA 2.210 57.581 55.300 0.118 0.000 1.102 554 M CB -0.220 32.340 32.600 -0.068 0.000 1.336 554 M HN 0.301 nan 8.290 nan 0.000 0.404 555 K N 0.610 120.974 120.400 -0.059 0.000 2.057 555 K HA -0.222 4.573 4.320 0.792 0.000 0.207 555 K C 1.779 178.245 176.600 -0.222 0.000 1.049 555 K CA 2.272 58.442 56.287 -0.195 0.000 0.931 555 K CB -0.745 31.670 32.500 -0.142 0.000 0.714 555 K HN 0.558 nan 8.250 nan 0.000 0.440 556 D N -1.038 119.273 120.400 -0.149 0.000 2.117 556 D HA -0.121 4.994 4.640 0.792 0.000 0.197 556 D C 1.131 177.321 176.300 -0.184 0.000 0.987 556 D CA 1.575 55.484 54.000 -0.151 0.000 0.829 556 D CB 0.189 40.918 40.800 -0.119 0.000 0.961 556 D HN 0.318 nan 8.370 nan 0.000 0.460 557 T N -1.010 113.416 114.554 -0.213 0.000 2.812 557 T HA -0.102 4.723 4.350 0.792 0.000 0.264 557 T C 1.173 175.513 174.700 -0.602 0.000 1.042 557 T CA 0.983 62.829 62.100 -0.424 0.000 1.140 557 T CB -0.184 68.340 68.868 -0.573 0.000 0.870 557 T HN 0.276 nan 8.240 nan 0.000 0.445 558 Y N 0.024 120.276 120.300 -0.080 0.000 2.481 558 Y HA 0.418 5.443 4.550 0.792 0.000 0.247 558 Y C 2.359 178.045 175.900 -0.358 0.000 1.151 558 Y CA -0.674 57.384 58.100 -0.071 0.000 1.238 558 Y CB -0.153 38.396 38.460 0.148 0.000 1.179 558 Y HN 0.196 nan 8.280 nan 0.000 0.524 559 G N 0.739 109.223 108.800 -0.526 0.000 2.475 559 G HA2 -0.295 4.140 3.960 0.792 0.000 0.220 559 G HA3 -0.295 4.140 3.960 0.792 0.000 0.220 559 G C 1.745 176.423 174.900 -0.369 0.000 1.125 559 G CA 1.089 45.704 45.100 -0.808 0.000 0.755 559 G HN 0.434 nan 8.290 nan 0.000 0.565 560 A N -0.804 121.908 122.820 -0.182 0.000 2.206 560 A HA 0.204 4.999 4.320 0.792 0.000 0.211 560 A C 1.433 179.017 177.584 0.000 0.000 1.158 560 A CA 0.447 52.441 52.037 -0.071 0.000 0.761 560 A CB -0.700 18.271 19.000 -0.048 0.000 0.801 560 A HN 0.475 nan 8.150 nan 0.000 0.473 561 C N 0.714 120.041 119.300 0.044 0.000 2.648 561 C HA 0.335 5.270 4.460 0.792 0.000 0.415 561 C C -0.610 174.440 174.990 0.100 0.000 1.366 561 C CA -1.351 57.731 59.018 0.107 0.000 1.756 561 C CB 0.244 28.097 27.740 0.188 0.000 2.549 561 C HN 0.421 nan 8.230 nan 0.000 0.597 562 P HA -0.173 nan 4.420 nan 0.000 0.216 562 P C 0.861 178.199 177.300 0.063 0.000 1.154 562 P CA 1.892 65.035 63.100 0.071 0.000 0.865 562 P CB -0.111 31.631 31.700 0.070 0.000 0.789 563 I N -6.019 114.558 120.570 0.011 0.000 3.891 563 I HA 0.166 4.811 4.170 0.792 0.000 0.331 563 I C 1.847 177.929 176.117 -0.059 0.000 1.406 563 I CA -0.371 60.855 61.300 -0.123 0.000 1.139 563 I CB -0.773 36.930 38.000 -0.494 0.000 1.056 563 I HN -0.154 nan 8.210 nan 0.000 0.399 564 Y N 2.012 122.281 120.300 -0.051 0.000 2.040 564 Y HA -0.355 4.670 4.550 0.792 0.000 0.275 564 Y C 2.624 178.514 175.900 -0.017 0.000 1.171 564 Y CA 2.448 60.539 58.100 -0.015 0.000 1.123 564 Y CB -0.170 38.304 38.460 0.025 0.000 0.963 564 Y HN 0.305 nan 8.280 nan 0.000 0.493 565 S N 0.254 115.989 115.700 0.058 0.000 2.370 565 S HA -0.240 4.705 4.470 0.792 0.000 0.226 565 S C 1.379 175.938 174.600 -0.067 0.000 1.033 565 S CA 1.736 59.913 58.200 -0.040 0.000 1.011 565 S CB -0.575 62.674 63.200 0.082 0.000 0.852 565 S HN 0.623 nan 8.310 nan 0.000 0.457 566 D N 0.604 120.977 120.400 -0.045 0.000 2.144 566 D HA -0.077 5.038 4.640 0.792 0.000 0.199 566 D C 1.863 178.131 176.300 -0.053 0.000 0.984 566 D CA 0.896 54.890 54.000 -0.011 0.000 0.834 566 D CB -0.177 40.585 40.800 -0.063 0.000 0.955 566 D HN 0.178 nan 8.370 nan 0.000 0.465 567 V N 0.470 120.282 119.914 -0.171 0.000 2.379 567 V HA -0.158 4.437 4.120 0.792 0.000 0.245 567 V C 2.352 178.409 176.094 -0.062 0.000 1.044 567 V CA 1.075 63.294 62.300 -0.135 0.000 1.036 567 V CB -0.411 31.317 31.823 -0.160 0.000 0.664 567 V HN 0.258 nan 8.190 nan 0.000 0.453 568 L N -0.349 120.785 121.223 -0.147 0.000 2.079 568 L HA -0.161 4.654 4.340 0.792 0.000 0.210 568 L C 2.772 179.674 176.870 0.054 0.000 1.081 568 L CA 1.367 56.170 54.840 -0.061 0.000 0.752 568 L CB -0.519 41.404 42.059 -0.227 0.000 0.896 568 L HN 0.355 nan 8.230 nan 0.000 0.433 569 E N 0.001 120.217 120.200 0.027 0.000 2.072 569 E HA -0.164 4.661 4.350 0.792 0.000 0.191 569 E C 2.283 178.920 176.600 0.063 0.000 0.985 569 E CA 1.310 57.751 56.400 0.067 0.000 0.801 569 E CB -0.165 29.570 29.700 0.058 0.000 0.750 569 E HN 0.454 nan 8.360 nan 0.000 0.452 570 A N 1.160 124.003 122.820 0.039 0.000 1.933 570 A HA -0.135 4.660 4.320 0.792 0.000 0.218 570 A C 2.324 179.928 177.584 0.034 0.000 1.175 570 A CA 0.981 52.995 52.037 -0.039 0.000 0.628 570 A CB -0.602 18.422 19.000 0.040 0.000 0.814 570 A HN 0.157 nan 8.150 nan 0.000 0.444 571 I N -0.868 119.769 120.570 0.113 0.000 2.142 571 I HA -0.250 4.395 4.170 0.792 0.000 0.240 571 I C 2.571 178.874 176.117 0.308 0.000 1.078 571 I CA 1.825 63.263 61.300 0.229 0.000 1.343 571 I CB -0.303 37.819 38.000 0.204 0.000 1.046 571 I HN 0.387 nan 8.210 nan 0.000 0.405 572 E N 1.217 121.580 120.200 0.271 0.000 2.070 572 E HA -0.286 4.539 4.350 0.792 0.000 0.197 572 E C 2.269 179.129 176.600 0.434 0.000 1.004 572 E CA 1.629 58.241 56.400 0.353 0.000 0.805 572 E CB -0.183 29.706 29.700 0.315 0.000 0.744 572 E HN 0.199 nan 8.360 nan 0.000 0.451 573 R N -0.605 120.065 120.500 0.284 0.000 2.073 573 R HA -0.135 4.680 4.340 0.792 0.000 0.234 573 R C 2.259 178.725 176.300 0.277 0.000 1.134 573 R CA 1.831 58.071 56.100 0.233 0.000 0.952 573 R CB -0.649 29.668 30.300 0.028 0.000 0.850 573 R HN 0.349 nan 8.270 nan 0.000 0.433 574 C N -0.450 119.000 119.300 0.251 0.000 2.450 574 C HA -0.051 4.884 4.460 0.792 0.000 0.279 574 C C 2.320 177.627 174.990 0.528 0.000 1.335 574 C CA -0.139 59.058 59.018 0.298 0.000 1.749 574 C CB -1.281 26.547 27.740 0.148 0.000 1.963 574 C HN 0.686 nan 8.230 nan 0.000 0.501 575 W N -0.273 121.236 121.300 0.347 0.000 2.388 575 W HA -0.101 5.034 4.660 0.792 0.000 0.294 575 W C 2.154 178.752 176.519 0.132 0.000 1.212 575 W CA 0.922 58.340 57.345 0.122 0.000 1.271 575 W CB -0.660 28.706 29.460 -0.157 0.000 1.126 575 W HN 0.465 nan 8.180 nan 0.000 0.535 576 W N 1.322 122.832 121.300 0.350 0.000 2.355 576 W HA -0.251 4.884 4.660 0.791 0.000 0.309 576 W C 2.313 178.895 176.519 0.104 0.000 1.206 576 W CA 1.695 59.167 57.345 0.211 0.000 1.284 576 W CB -0.746 28.809 29.460 0.157 0.000 1.145 576 W HN -0.205 nan 8.180 nan 0.000 0.502 577 N N -0.099 118.803 118.700 0.336 0.000 2.120 577 N HA -0.150 5.065 4.740 0.792 0.000 0.188 577 N C 1.630 177.157 175.510 0.027 0.000 1.024 577 N CA 1.971 55.123 53.050 0.170 0.000 0.852 577 N CB -1.100 37.456 38.487 0.116 0.000 1.003 577 N HN 0.164 nan 8.380 nan 0.000 0.424 578 A N -0.471 122.315 122.820 -0.056 0.000 1.898 578 A HA 0.097 4.892 4.320 0.792 0.000 0.214 578 A C 1.466 178.661 177.584 -0.647 0.000 1.183 578 A CA 0.838 52.654 52.037 -0.369 0.000 0.622 578 A CB -0.375 18.350 19.000 -0.459 0.000 0.824 578 A HN 0.231 nan 8.150 nan 0.000 0.444 579 F N -1.316 118.374 119.950 -0.433 0.000 2.724 579 F HA 0.375 5.377 4.527 0.792 0.000 0.306 579 F C 1.679 177.288 175.800 -0.317 0.000 1.100 579 F CA 0.383 58.110 58.000 -0.456 0.000 1.255 579 F CB 0.316 38.857 39.000 -0.766 0.000 1.072 579 F HN 0.317 nan 8.300 nan 0.000 0.589 580 G N 1.218 109.962 108.800 -0.093 0.000 2.246 580 G HA2 -0.219 4.216 3.960 0.792 0.000 0.273 580 G HA3 -0.219 4.216 3.960 0.792 0.000 0.273 580 G C -0.176 174.354 174.900 -0.617 0.000 1.055 580 G CA 0.207 45.244 45.100 -0.105 0.000 0.851 580 G HN 0.304 nan 8.290 nan 0.000 0.500 581 E N -1.028 118.600 120.200 -0.953 0.000 2.449 581 E HA 0.518 5.343 4.350 0.792 0.000 0.278 581 E C -0.682 175.289 176.600 -1.048 0.000 0.992 581 E CA -0.553 55.313 56.400 -0.891 0.000 0.807 581 E CB 1.429 30.950 29.700 -0.297 0.000 1.350 581 E HN 0.280 nan 8.360 nan 0.000 0.462 582 S N 0.493 115.861 115.700 -0.554 0.000 2.465 582 S HA 0.124 5.069 4.470 0.792 0.000 0.279 582 S C 0.590 175.072 174.600 -0.196 0.000 1.201 582 S CA -0.304 57.769 58.200 -0.211 0.000 1.053 582 S CB 0.094 63.346 63.200 0.087 0.000 0.953 582 S HN 0.640 nan 8.310 nan 0.000 0.488 583 Y N 5.536 125.589 120.300 -0.412 0.000 2.200 583 Y HA -0.093 4.932 4.550 0.791 0.000 0.290 583 Y C 2.488 178.061 175.900 -0.546 0.000 1.137 583 Y CA 1.919 59.500 58.100 -0.866 0.000 1.163 583 Y CB -0.138 37.756 38.460 -0.943 0.000 0.988 583 Y HN 0.791 nan 8.280 nan 0.000 0.518 584 R N 0.448 120.778 120.500 -0.283 0.000 2.096 584 R HA -0.226 4.589 4.340 0.792 0.000 0.240 584 R C 2.317 178.366 176.300 -0.418 0.000 1.139 584 R CA 1.622 57.554 56.100 -0.281 0.000 0.952 584 R CB -0.634 29.739 30.300 0.121 0.000 0.854 584 R HN 0.452 nan 8.270 nan 0.000 0.436 585 A N -0.123 122.554 122.820 -0.239 0.000 1.930 585 A HA -0.207 4.588 4.320 0.792 0.000 0.217 585 A C 2.020 179.415 177.584 -0.315 0.000 1.175 585 A CA 1.309 53.224 52.037 -0.202 0.000 0.627 585 A CB -0.881 18.073 19.000 -0.077 0.000 0.815 585 A HN 0.652 nan 8.150 nan 0.000 0.443 586 Y N 0.565 120.541 120.300 -0.541 0.000 2.165 586 Y HA -0.214 4.811 4.550 0.791 0.000 0.286 586 Y C 2.375 177.808 175.900 -0.779 0.000 1.155 586 Y CA 2.086 59.831 58.100 -0.593 0.000 1.164 586 Y CB -0.132 37.936 38.460 -0.653 0.000 0.978 586 Y HN 0.153 nan 8.280 nan 0.000 0.513 587 R N 0.714 120.474 120.500 -1.233 0.000 2.115 587 R HA -0.090 4.725 4.340 0.792 0.000 0.226 587 R C 2.097 177.740 176.300 -1.095 0.000 1.100 587 R CA 1.511 56.688 56.100 -1.539 0.000 0.980 587 R CB -0.565 28.167 30.300 -2.613 0.000 0.875 587 R HN 0.577 nan 8.270 nan 0.000 0.445 588 E N 0.468 120.187 120.200 -0.802 0.000 2.106 588 E HA -0.148 4.677 4.350 0.792 0.000 0.192 588 E C 1.333 177.745 176.600 -0.313 0.000 0.984 588 E CA 1.049 57.212 56.400 -0.394 0.000 0.806 588 E CB 0.036 29.624 29.700 -0.186 0.000 0.750 588 E HN 0.261 nan 8.360 nan 0.000 0.458 589 D N 0.450 120.635 120.400 -0.359 0.000 2.097 589 D HA -0.160 4.955 4.640 0.792 0.000 0.197 589 D C 1.895 178.015 176.300 -0.299 0.000 0.984 589 D CA 0.894 54.730 54.000 -0.273 0.000 0.826 589 D CB -0.186 40.466 40.800 -0.247 0.000 0.973 589 D HN 0.142 nan 8.370 nan 0.000 0.460 590 M N 0.485 119.805 119.600 -0.468 0.000 2.108 590 M HA -0.141 4.814 4.480 0.792 0.000 0.261 590 M C 2.180 178.330 176.300 -0.250 0.000 1.066 590 M CA 1.014 56.064 55.300 -0.416 0.000 1.107 590 M CB -0.004 32.207 32.600 -0.648 0.000 1.356 590 M HN 0.021 nan 8.290 nan 0.000 0.406 591 L N 0.252 121.323 121.223 -0.253 0.000 1.989 591 L HA -0.305 4.510 4.340 0.792 0.000 0.211 591 L C 2.275 179.102 176.870 -0.072 0.000 1.071 591 L CA 1.824 56.601 54.840 -0.104 0.000 0.749 591 L CB -0.453 41.583 42.059 -0.038 0.000 0.890 591 L HN 0.347 nan 8.230 nan 0.000 0.431 592 K N -0.591 119.754 120.400 -0.093 0.000 2.032 592 K HA -0.205 4.590 4.320 0.792 0.000 0.209 592 K C 2.124 178.695 176.600 -0.047 0.000 1.048 592 K CA 1.546 57.795 56.287 -0.062 0.000 0.927 592 K CB -0.156 32.303 32.500 -0.067 0.000 0.712 592 K HN 0.391 nan 8.250 nan 0.000 0.441 593 R N 0.795 121.258 120.500 -0.061 0.000 2.073 593 R HA -0.128 4.687 4.340 0.792 0.000 0.234 593 R C 1.850 178.161 176.300 0.019 0.000 1.134 593 R CA 1.549 57.632 56.100 -0.028 0.000 0.952 593 R CB -0.310 29.961 30.300 -0.048 0.000 0.850 593 R HN 0.209 nan 8.270 nan 0.000 0.433 594 D N -0.280 120.136 120.400 0.027 0.000 2.178 594 D HA -0.078 5.038 4.640 0.792 0.000 0.202 594 D C 1.719 178.050 176.300 0.050 0.000 0.974 594 D CA 1.190 55.265 54.000 0.125 0.000 0.841 594 D CB -0.178 40.715 40.800 0.155 0.000 0.953 594 D HN 0.144 nan 8.370 nan 0.000 0.478 595 T N 0.688 115.234 114.554 -0.014 0.000 2.777 595 T HA -0.046 4.779 4.350 0.792 0.000 0.266 595 T C 2.167 176.841 174.700 -0.044 0.000 1.040 595 T CA 0.530 62.594 62.100 -0.061 0.000 1.141 595 T CB -0.175 68.666 68.868 -0.046 0.000 0.868 595 T HN 0.127 nan 8.240 nan 0.000 0.444 596 L N 0.596 121.815 121.223 -0.007 0.000 2.056 596 L HA -0.069 4.746 4.340 0.792 0.000 0.207 596 L C 2.793 179.694 176.870 0.052 0.000 1.078 596 L CA 1.153 56.000 54.840 0.011 0.000 0.749 596 L CB -0.404 41.662 42.059 0.013 0.000 0.901 596 L HN 0.173 nan 8.230 nan 0.000 0.433 597 E N 0.444 120.709 120.200 0.108 0.000 2.106 597 E HA -0.220 4.605 4.350 0.792 0.000 0.192 597 E C 1.954 178.735 176.600 0.301 0.000 0.984 597 E CA 0.878 57.422 56.400 0.240 0.000 0.806 597 E CB -0.234 29.657 29.700 0.320 0.000 0.750 597 E HN 0.230 nan 8.360 nan 0.000 0.458 598 L N 0.646 121.870 121.223 0.002 0.000 2.042 598 L HA -0.196 4.619 4.340 0.792 0.000 0.210 598 L C 2.175 179.035 176.870 -0.018 0.000 1.076 598 L CA 2.423 57.071 54.840 -0.321 0.000 0.749 598 L CB -1.041 40.639 42.059 -0.632 0.000 0.893 598 L HN 0.250 nan 8.230 nan 0.000 0.432 599 S N -0.806 114.889 115.700 -0.010 0.000 2.440 599 S HA -0.286 4.659 4.470 0.792 0.000 0.238 599 S C 2.168 176.784 174.600 0.027 0.000 1.010 599 S CA 1.206 59.406 58.200 -0.002 0.000 0.972 599 S CB -0.842 62.349 63.200 -0.013 0.000 0.774 599 S HN 0.643 nan 8.310 nan 0.000 0.501 600 R N -0.362 120.184 120.500 0.076 0.000 2.189 600 R HA -0.006 4.809 4.340 0.792 0.000 0.218 600 R C 1.004 177.187 176.300 -0.196 0.000 1.074 600 R CA 1.063 57.133 56.100 -0.050 0.000 0.991 600 R CB -0.169 30.094 30.300 -0.062 0.000 0.883 600 R HN 0.579 nan 8.270 nan 0.000 0.457 601 Y N -1.059 119.256 120.300 0.025 0.000 2.458 601 Y HA 0.216 5.242 4.550 0.792 0.000 0.254 601 Y C 0.143 176.042 175.900 -0.003 0.000 1.120 601 Y CA -0.186 57.938 58.100 0.040 0.000 1.282 601 Y CB 1.048 39.580 38.460 0.119 0.000 1.109 601 Y HN -0.233 nan 8.280 nan 0.000 0.526 602 V N 0.756 120.721 119.914 0.085 0.000 2.334 602 V HA 0.399 4.994 4.120 0.792 0.000 0.281 602 V C 0.922 177.015 176.094 -0.002 0.000 1.016 602 V CA -0.345 61.971 62.300 0.027 0.000 0.832 602 V CB 0.752 32.568 31.823 -0.012 0.000 0.999 602 V HN 0.299 nan 8.190 nan 0.000 0.439 603 A N 4.019 126.836 122.820 -0.005 0.000 1.908 603 A HA -0.114 4.681 4.320 0.792 0.000 0.218 603 A C 2.059 179.632 177.584 -0.018 0.000 1.181 603 A CA 2.031 54.059 52.037 -0.016 0.000 0.627 603 A CB -0.326 18.665 19.000 -0.014 0.000 0.818 603 A HN 1.010 nan 8.150 nan 0.000 0.445 604 S N -1.711 113.978 115.700 -0.019 0.000 2.851 604 S HA 0.412 5.357 4.470 0.792 0.000 0.227 604 S C 0.209 174.793 174.600 -0.027 0.000 0.958 604 S CA 0.020 58.207 58.200 -0.023 0.000 0.990 604 S CB -0.532 62.654 63.200 -0.024 0.000 0.790 604 S HN 0.474 nan 8.310 nan 0.000 0.509 605 M N 2.208 121.792 119.600 -0.027 0.000 2.197 605 M HA 0.616 5.571 4.480 0.792 0.000 0.301 605 M C -0.199 176.085 176.300 -0.027 0.000 0.987 605 M CA -0.478 54.804 55.300 -0.031 0.000 0.921 605 M CB 1.782 34.359 32.600 -0.038 0.000 1.569 605 M HN 0.275 nan 8.290 nan 0.000 0.431 606 A N 3.828 126.632 122.820 -0.027 0.000 2.586 606 A HA 0.060 4.856 4.320 0.792 0.000 0.231 606 A C 0.684 178.255 177.584 -0.022 0.000 1.055 606 A CA 0.298 52.322 52.037 -0.023 0.000 0.756 606 A CB 0.157 19.144 19.000 -0.022 0.000 0.988 606 A HN 1.030 nan 8.150 nan 0.000 0.509 607 R N 0.087 120.576 120.500 -0.020 0.000 2.417 607 R HA -0.129 4.686 4.340 0.792 0.000 0.220 607 R C 0.240 176.531 176.300 -0.015 0.000 1.128 607 R CA 1.555 57.644 56.100 -0.017 0.000 1.048 607 R CB -0.177 30.113 30.300 -0.017 0.000 0.835 607 R HN 0.806 nan 8.270 nan 0.000 0.483 608 Q N -1.764 118.025 119.800 -0.018 0.000 1.849 608 Q HA 0.163 4.978 4.340 0.792 0.000 0.187 608 Q C -1.317 174.669 176.000 -0.023 0.000 0.808 608 Q CA -0.267 55.526 55.803 -0.018 0.000 0.881 608 Q CB 1.132 29.862 28.738 -0.014 0.000 1.272 608 Q HN 0.244 nan 8.270 nan 0.000 0.378 609 A N 0.127 122.931 122.820 -0.027 0.000 2.371 609 A HA 0.713 5.508 4.320 0.792 0.000 0.257 609 A C 0.849 178.411 177.584 -0.037 0.000 1.089 609 A CA 0.575 52.594 52.037 -0.030 0.000 0.794 609 A CB 0.450 19.431 19.000 -0.032 0.000 1.029 609 A HN 0.331 nan 8.150 nan 0.000 0.488 610 G N -0.429 108.349 108.800 -0.035 0.000 2.514 610 G HA2 0.384 4.819 3.960 0.792 0.000 0.245 610 G HA3 0.384 4.819 3.960 0.792 0.000 0.245 610 G C 0.499 175.368 174.900 -0.052 0.000 1.488 610 G CA -0.472 44.604 45.100 -0.040 0.000 1.063 610 G HN 0.688 nan 8.290 nan 0.000 0.557 611 L N 0.961 122.153 121.223 -0.051 0.000 2.629 611 L HA 0.192 5.007 4.340 0.792 0.000 0.230 611 L C 2.824 179.660 176.870 -0.056 0.000 1.151 611 L CA 0.365 55.169 54.840 -0.061 0.000 0.924 611 L CB -0.181 41.843 42.059 -0.057 0.000 1.137 611 L HN 0.557 nan 8.230 nan 0.000 0.457 612 A N 0.826 123.618 122.820 -0.047 0.000 1.915 612 A HA -0.233 4.562 4.320 0.792 0.000 0.220 612 A C 2.124 179.677 177.584 -0.051 0.000 1.198 612 A CA 1.837 53.847 52.037 -0.044 0.000 0.647 612 A CB -0.222 18.756 19.000 -0.038 0.000 0.825 612 A HN 0.422 nan 8.150 nan 0.000 0.456 613 E N -0.405 119.763 120.200 -0.054 0.000 2.481 613 E HA 0.122 4.947 4.350 0.792 0.000 0.195 613 E C 0.220 176.778 176.600 -0.069 0.000 1.047 613 E CA 0.012 56.377 56.400 -0.057 0.000 0.867 613 E CB -0.213 29.456 29.700 -0.053 0.000 0.858 613 E HN 0.620 nan 8.360 nan 0.000 0.513 614 L N 1.742 122.919 121.223 -0.076 0.000 2.350 614 L HA 0.177 4.992 4.340 0.792 0.000 0.275 614 L C 0.969 177.779 176.870 -0.099 0.000 1.099 614 L CA -0.450 54.336 54.840 -0.090 0.000 0.808 614 L CB 0.920 42.922 42.059 -0.094 0.000 1.149 614 L HN -0.060 nan 8.230 nan 0.000 0.442 615 T N -1.287 113.193 114.554 -0.124 0.000 2.881 615 T HA 0.313 5.138 4.350 0.792 0.000 0.278 615 T C -1.999 172.605 174.700 -0.160 0.000 0.982 615 T CA -1.851 60.162 62.100 -0.144 0.000 0.989 615 T CB 1.635 70.395 68.868 -0.180 0.000 1.058 615 T HN 0.294 nan 8.240 nan 0.000 0.529 616 P HA -0.014 nan 4.420 nan 0.000 0.215 616 P C 1.624 178.786 177.300 -0.229 0.000 1.153 616 P CA 0.938 63.946 63.100 -0.153 0.000 0.853 616 P CB -0.110 31.505 31.700 -0.141 0.000 0.788 617 I N -0.409 119.921 120.570 -0.400 0.000 2.163 617 I HA -0.272 4.373 4.170 0.792 0.000 0.243 617 I C 1.891 177.721 176.117 -0.478 0.000 1.085 617 I CA 1.612 62.457 61.300 -0.760 0.000 1.347 617 I CB -0.824 36.545 38.000 -1.051 0.000 1.044 617 I HN -0.048 nan 8.210 nan 0.000 0.408 618 D N 0.972 121.186 120.400 -0.311 0.000 2.133 618 D HA -0.189 4.926 4.640 0.792 0.000 0.192 618 D C 2.310 178.541 176.300 -0.116 0.000 1.001 618 D CA 1.447 55.337 54.000 -0.184 0.000 0.844 618 D CB -0.369 40.344 40.800 -0.145 0.000 0.944 618 D HN 0.317 nan 8.370 nan 0.000 0.447 619 L N 0.814 121.975 121.223 -0.103 0.000 2.027 619 L HA -0.122 4.693 4.340 0.792 0.000 0.206 619 L C 2.422 179.308 176.870 0.028 0.000 1.074 619 L CA 0.933 55.752 54.840 -0.035 0.000 0.745 619 L CB -0.390 41.652 42.059 -0.028 0.000 0.898 619 L HN -0.056 nan 8.230 nan 0.000 0.433 620 E N 0.081 120.301 120.200 0.034 0.000 2.110 620 E HA -0.163 4.662 4.350 0.792 0.000 0.193 620 E C 2.369 179.079 176.600 0.182 0.000 0.988 620 E CA 1.138 57.632 56.400 0.157 0.000 0.804 620 E CB -0.264 29.606 29.700 0.284 0.000 0.745 620 E HN 0.323 nan 8.360 nan 0.000 0.458 621 V N 1.397 121.381 119.914 0.117 0.000 2.453 621 V HA -0.184 4.411 4.120 0.792 0.000 0.247 621 V C 2.442 178.597 176.094 0.102 0.000 1.048 621 V CA 1.049 63.425 62.300 0.127 0.000 1.049 621 V CB -0.389 31.473 31.823 0.064 0.000 0.672 621 V HN 0.183 nan 8.190 nan 0.000 0.457 622 L N 0.001 121.277 121.223 0.088 0.000 2.141 622 L HA -0.079 4.736 4.340 0.792 0.000 0.209 622 L C 2.546 179.534 176.870 0.198 0.000 1.094 622 L CA 1.363 56.294 54.840 0.151 0.000 0.763 622 L CB -0.556 41.565 42.059 0.103 0.000 0.908 622 L HN 0.357 nan 8.230 nan 0.000 0.437 623 A N -1.418 121.499 122.820 0.161 0.000 2.021 623 A HA -0.091 4.704 4.320 0.792 0.000 0.216 623 A C 0.566 178.229 177.584 0.130 0.000 1.163 623 A CA 0.981 53.111 52.037 0.156 0.000 0.676 623 A CB 0.024 19.124 19.000 0.168 0.000 0.818 623 A HN 0.343 nan 8.150 nan 0.000 0.453 624 D N -2.255 118.226 120.400 0.136 0.000 2.527 624 D HA 0.302 5.417 4.640 0.792 0.000 0.242 624 D C -2.523 173.850 176.300 0.122 0.000 1.285 624 D CA -1.406 52.675 54.000 0.136 0.000 0.886 624 D CB 1.010 41.912 40.800 0.171 0.000 1.402 624 D HN -0.114 nan 8.370 nan 0.000 0.528 625 P HA -0.105 nan 4.420 nan 0.000 0.221 625 P C 1.236 178.580 177.300 0.073 0.000 1.145 625 P CA 0.687 63.826 63.100 0.065 0.000 0.795 625 P CB 0.141 31.854 31.700 0.021 0.000 0.775 626 N N 0.040 118.806 118.700 0.109 0.000 2.364 626 N HA -0.164 5.051 4.740 0.792 0.000 0.183 626 N C 1.311 176.853 175.510 0.054 0.000 1.022 626 N CA 0.841 53.986 53.050 0.159 0.000 0.883 626 N CB -0.050 38.599 38.487 0.269 0.000 0.965 626 N HN 0.145 nan 8.380 nan 0.000 0.438 627 K N 0.158 120.501 120.400 -0.097 0.000 2.442 627 K HA -0.074 4.721 4.320 0.792 0.000 0.198 627 K C 1.287 177.650 176.600 -0.395 0.000 1.042 627 K CA 0.263 56.193 56.287 -0.595 0.000 0.958 627 K CB 0.135 32.452 32.500 -0.306 0.000 0.766 627 K HN 0.123 nan 8.250 nan 0.000 0.474 628 L N 0.495 121.679 121.223 -0.065 0.000 2.492 628 L HA -0.023 4.792 4.340 0.792 0.000 0.223 628 L C 1.582 178.464 176.870 0.019 0.000 1.132 628 L CA 1.485 56.353 54.840 0.047 0.000 0.850 628 L CB -0.002 42.118 42.059 0.102 0.000 0.966 628 L HN 0.005 nan 8.230 nan 0.000 0.454 629 Q N -2.162 117.637 119.800 -0.002 0.000 2.356 629 Q HA 0.022 4.837 4.340 0.792 0.000 0.205 629 Q C 0.664 176.749 176.000 0.142 0.000 0.901 629 Q CA 0.572 56.431 55.803 0.093 0.000 0.938 629 Q CB 0.374 29.206 28.738 0.155 0.000 1.081 629 Q HN 0.675 nan 8.270 nan 0.000 0.517 630 Y N -4.530 115.752 120.300 -0.030 0.000 2.532 630 Y HA 0.467 5.491 4.550 0.791 0.000 0.282 630 Y C 1.266 177.058 175.900 -0.179 0.000 1.013 630 Y CA -0.330 57.722 58.100 -0.080 0.000 1.159 630 Y CB 0.070 38.481 38.460 -0.082 0.000 1.393 630 Y HN -0.149 nan 8.280 nan 0.000 0.580 631 K N -0.326 119.632 120.400 -0.737 0.000 2.266 631 K HA 0.187 4.982 4.320 0.792 0.000 0.209 631 K C -0.045 176.152 176.600 -0.672 0.000 1.065 631 K CA 0.304 56.075 56.287 -0.860 0.000 0.946 631 K CB 0.471 32.065 32.500 -1.511 0.000 1.069 631 K HN 0.143 nan 8.250 nan 0.000 0.472 632 W N 0.245 121.399 121.300 -0.243 0.000 2.869 632 W HA 0.405 5.540 4.660 0.791 0.000 0.345 632 W C 0.061 176.510 176.519 -0.115 0.000 1.191 632 W CA -0.659 56.584 57.345 -0.171 0.000 1.104 632 W CB 0.625 29.995 29.460 -0.151 0.000 1.471 632 W HN -0.094 nan 8.180 nan 0.000 0.612 633 T N -0.620 114.039 114.554 0.175 0.000 2.901 633 T HA 0.118 4.943 4.350 0.792 0.000 0.293 633 T C 0.882 175.623 174.700 0.069 0.000 1.084 633 T CA -0.381 61.778 62.100 0.098 0.000 1.008 633 T CB 1.660 70.540 68.868 0.021 0.000 1.170 633 T HN 0.534 nan 8.240 nan 0.000 0.509 634 E N 1.429 121.658 120.200 0.048 0.000 2.136 634 E HA -0.228 4.597 4.350 0.792 0.000 0.202 634 E C 1.828 178.296 176.600 -0.220 0.000 1.019 634 E CA 1.932 58.239 56.400 -0.154 0.000 0.819 634 E CB -0.417 29.052 29.700 -0.385 0.000 0.739 634 E HN 0.674 nan 8.360 nan 0.000 0.458 635 A N 0.686 123.420 122.820 -0.143 0.000 2.178 635 A HA -0.148 4.647 4.320 0.792 0.000 0.218 635 A C 1.428 178.954 177.584 -0.096 0.000 1.157 635 A CA 1.459 53.417 52.037 -0.132 0.000 0.689 635 A CB -0.157 18.767 19.000 -0.127 0.000 0.787 635 A HN 0.332 nan 8.150 nan 0.000 0.465 636 D N -0.703 119.650 120.400 -0.078 0.000 2.349 636 D HA 0.121 5.236 4.640 0.792 0.000 0.215 636 D C 0.138 176.312 176.300 -0.209 0.000 1.016 636 D CA 0.421 54.344 54.000 -0.129 0.000 0.870 636 D CB 0.301 41.002 40.800 -0.164 0.000 0.917 636 D HN 0.207 nan 8.370 nan 0.000 0.524 637 V N 1.078 120.907 119.914 -0.143 0.000 2.483 637 V HA 0.171 4.766 4.120 0.792 0.000 0.295 637 V C 0.586 176.628 176.094 -0.086 0.000 1.035 637 V CA -0.884 61.344 62.300 -0.119 0.000 0.896 637 V CB 1.938 33.759 31.823 -0.004 0.000 0.986 637 V HN -0.082 nan 8.190 nan 0.000 0.447 638 S N 2.851 118.497 115.700 -0.089 0.000 2.558 638 S HA 0.116 5.061 4.470 0.792 0.000 0.291 638 S C 1.499 176.083 174.600 -0.027 0.000 1.306 638 S CA 0.214 58.374 58.200 -0.066 0.000 1.056 638 S CB 1.016 64.174 63.200 -0.070 0.000 0.836 638 S HN 1.042 nan 8.310 nan 0.000 0.504 639 A N 3.814 126.615 122.820 -0.031 0.000 1.908 639 A HA -0.199 4.596 4.320 0.792 0.000 0.218 639 A C 2.034 179.630 177.584 0.020 0.000 1.181 639 A CA 1.760 53.793 52.037 -0.007 0.000 0.627 639 A CB -0.699 18.284 19.000 -0.028 0.000 0.818 639 A HN 0.922 nan 8.150 nan 0.000 0.445 640 N N 0.107 118.805 118.700 -0.004 0.000 2.453 640 N HA -0.105 5.110 4.740 0.792 0.000 0.183 640 N C 1.212 176.725 175.510 0.005 0.000 1.041 640 N CA 1.433 54.482 53.050 -0.003 0.000 0.900 640 N CB -0.339 38.137 38.487 -0.019 0.000 0.961 640 N HN 0.408 nan 8.380 nan 0.000 0.443 641 I N 0.751 121.325 120.570 0.006 0.000 2.585 641 I HA -0.073 4.572 4.170 0.792 0.000 0.254 641 I C 2.396 178.535 176.117 0.037 0.000 1.129 641 I CA 0.572 61.873 61.300 0.002 0.000 1.455 641 I CB -1.438 36.546 38.000 -0.028 0.000 1.111 641 I HN 0.274 nan 8.210 nan 0.000 0.433 642 H N 1.951 121.004 119.070 -0.029 0.000 2.352 642 H HA -0.165 4.866 4.556 0.792 0.000 0.299 642 H C 1.708 177.035 175.328 -0.002 0.000 1.097 642 H CA 1.746 57.785 56.048 -0.014 0.000 1.311 642 H CB 0.401 30.151 29.762 -0.021 0.000 1.377 642 H HN 0.408 nan 8.280 nan 0.000 0.504 643 E N -0.128 120.104 120.200 0.054 0.000 2.267 643 E HA -0.112 4.713 4.350 0.792 0.000 0.197 643 E C 2.364 178.962 176.600 -0.004 0.000 0.998 643 E CA 0.822 57.223 56.400 0.002 0.000 0.830 643 E CB 0.205 29.908 29.700 0.004 0.000 0.751 643 E HN 0.267 nan 8.360 nan 0.000 0.491 644 V N 0.977 120.899 119.914 0.014 0.000 2.427 644 V HA -0.216 4.379 4.120 0.792 0.000 0.248 644 V C 2.024 178.139 176.094 0.035 0.000 1.051 644 V CA 1.427 63.767 62.300 0.066 0.000 1.048 644 V CB -0.203 31.667 31.823 0.080 0.000 0.666 644 V HN 0.281 nan 8.190 nan 0.000 0.456 645 L N -1.501 119.692 121.223 -0.050 0.000 2.463 645 L HA 0.214 5.029 4.340 0.792 0.000 0.219 645 L C 0.601 177.399 176.870 -0.120 0.000 1.088 645 L CA 0.422 55.210 54.840 -0.086 0.000 0.849 645 L CB 0.050 42.036 42.059 -0.122 0.000 1.012 645 L HN 0.270 nan 8.230 nan 0.000 0.468 646 M N -1.530 117.972 119.600 -0.165 0.000 2.619 646 M HA 0.441 5.396 4.480 0.792 0.000 0.297 646 M C -1.123 175.183 176.300 0.010 0.000 1.229 646 M CA -0.385 54.852 55.300 -0.104 0.000 0.860 646 M CB 2.203 34.662 32.600 -0.235 0.000 1.741 646 M HN -0.133 nan 8.290 nan 0.000 0.462 647 H N -0.454 118.612 119.070 -0.007 0.000 2.768 647 H HA 0.776 5.807 4.556 0.792 0.000 0.371 647 H C -1.289 174.067 175.328 0.048 0.000 1.151 647 H CA -0.223 55.838 56.048 0.022 0.000 1.165 647 H CB 2.267 32.036 29.762 0.012 0.000 1.722 647 H HN 0.833 nan 8.280 nan 0.000 0.543 648 G N 1.571 110.492 108.800 0.200 0.000 2.511 648 G HA2 0.497 4.932 3.960 0.792 0.000 0.318 648 G HA3 0.497 4.932 3.960 0.792 0.000 0.318 648 G C -0.941 174.118 174.900 0.265 0.000 1.210 648 G CA -0.479 44.750 45.100 0.215 0.000 0.969 648 G HN 0.436 nan 8.290 nan 0.000 0.484 649 V N 0.785 120.800 119.914 0.168 0.000 2.644 649 V HA 0.397 4.992 4.120 0.792 0.000 0.295 649 V C 1.004 177.155 176.094 0.094 0.000 1.053 649 V CA -0.515 61.859 62.300 0.124 0.000 0.987 649 V CB 1.586 33.462 31.823 0.089 0.000 1.006 649 V HN 1.052 nan 8.190 nan 0.000 0.472 650 S N 3.024 118.771 115.700 0.078 0.000 2.558 650 S HA 0.027 4.972 4.470 0.792 0.000 0.291 650 S C 1.033 175.665 174.600 0.055 0.000 1.306 650 S CA -0.345 57.891 58.200 0.060 0.000 1.056 650 S CB 0.796 64.025 63.200 0.049 0.000 0.836 650 S HN 0.499 nan 8.310 nan 0.000 0.504 651 V N 2.268 122.210 119.914 0.045 0.000 2.626 651 V HA -0.114 4.481 4.120 0.792 0.000 0.252 651 V C 2.317 178.438 176.094 0.045 0.000 1.067 651 V CA 1.920 64.246 62.300 0.043 0.000 1.081 651 V CB -1.412 30.428 31.823 0.029 0.000 0.686 651 V HN 0.839 nan 8.190 nan 0.000 0.468 652 E N 0.776 121.000 120.200 0.041 0.000 2.072 652 E HA -0.143 4.682 4.350 0.792 0.000 0.191 652 E C 2.195 178.828 176.600 0.055 0.000 0.985 652 E CA 1.046 57.470 56.400 0.040 0.000 0.801 652 E CB -0.309 29.410 29.700 0.031 0.000 0.750 652 E HN 0.553 nan 8.360 nan 0.000 0.452 653 K N 0.059 120.495 120.400 0.059 0.000 2.155 653 K HA -0.052 4.743 4.320 0.792 0.000 0.203 653 K C 2.322 178.993 176.600 0.117 0.000 1.052 653 K CA 1.646 57.977 56.287 0.073 0.000 0.948 653 K CB -0.220 32.309 32.500 0.049 0.000 0.728 653 K HN 0.315 nan 8.250 nan 0.000 0.448 654 T N -1.259 113.362 114.554 0.111 0.000 2.942 654 T HA -0.065 4.760 4.350 0.792 0.000 0.265 654 T C 1.856 176.669 174.700 0.189 0.000 1.062 654 T CA 0.728 62.931 62.100 0.172 0.000 1.139 654 T CB 0.101 69.044 68.868 0.126 0.000 0.883 654 T HN 0.197 nan 8.240 nan 0.000 0.468 655 E N 1.057 121.324 120.200 0.110 0.000 2.051 655 E HA -0.162 4.663 4.350 0.792 0.000 0.192 655 E C 2.494 179.134 176.600 0.068 0.000 0.991 655 E CA 0.912 57.354 56.400 0.069 0.000 0.799 655 E CB -0.102 29.623 29.700 0.042 0.000 0.748 655 E HN 0.546 nan 8.360 nan 0.000 0.449 656 R N -0.432 120.121 120.500 0.089 0.000 2.092 656 R HA -0.156 4.659 4.340 0.792 0.000 0.231 656 R C 2.220 178.589 176.300 0.115 0.000 1.119 656 R CA 1.315 57.463 56.100 0.080 0.000 0.970 656 R CB -0.364 29.984 30.300 0.080 0.000 0.864 656 R HN 0.210 nan 8.270 nan 0.000 0.440 657 F N 0.841 120.819 119.950 0.046 0.000 2.075 657 F HA -0.173 4.828 4.527 0.791 0.000 0.297 657 F C 1.632 177.475 175.800 0.071 0.000 1.113 657 F CA 1.191 59.245 58.000 0.090 0.000 1.218 657 F CB -0.327 38.733 39.000 0.101 0.000 0.984 657 F HN -0.007 nan 8.300 nan 0.000 0.472 658 L N 0.990 122.168 121.223 -0.075 0.000 2.042 658 L HA -0.192 4.623 4.340 0.792 0.000 0.210 658 L C 2.601 179.301 176.870 -0.284 0.000 1.076 658 L CA 1.903 56.597 54.840 -0.245 0.000 0.749 658 L CB -1.646 40.371 42.059 -0.069 0.000 0.893 658 L HN 0.249 nan 8.230 nan 0.000 0.432 659 R N -0.122 120.284 120.500 -0.158 0.000 2.105 659 R HA -0.169 4.646 4.340 0.792 0.000 0.239 659 R C 2.379 178.584 176.300 -0.158 0.000 1.135 659 R CA 1.804 57.822 56.100 -0.137 0.000 0.967 659 R CB -0.128 30.133 30.300 -0.065 0.000 0.861 659 R HN 0.505 nan 8.270 nan 0.000 0.442 660 S N -1.038 114.578 115.700 -0.138 0.000 2.489 660 S HA 0.004 4.949 4.470 0.792 0.000 0.228 660 S C 1.764 176.281 174.600 -0.138 0.000 0.995 660 S CA 0.737 58.914 58.200 -0.037 0.000 0.934 660 S CB 0.296 63.571 63.200 0.124 0.000 0.771 660 S HN 0.160 nan 8.310 nan 0.000 0.522 661 V N 1.416 121.065 119.914 -0.441 0.000 2.374 661 V HA 0.212 4.807 4.120 0.792 0.000 0.241 661 V C 1.508 177.140 176.094 -0.770 0.000 1.034 661 V CA 0.927 62.792 62.300 -0.725 0.000 1.037 661 V CB -0.526 30.677 31.823 -1.033 0.000 0.682 661 V HN 0.439 nan 8.190 nan 0.000 0.463 662 M N 0.320 119.469 119.600 -0.752 0.000 2.232 662 M HA 0.121 5.076 4.480 0.792 0.000 0.321 662 M C -1.273 174.689 176.300 -0.564 0.000 1.101 662 M CA -0.912 53.867 55.300 -0.869 0.000 1.181 662 M CB 0.337 32.569 32.600 -0.614 0.000 1.432 662 M HN 0.006 nan 8.290 nan 0.000 0.457 663 P HA -0.000 nan 4.420 nan 0.000 0.210 663 P C -0.078 177.113 177.300 -0.182 0.000 1.192 663 P CA 1.251 64.195 63.100 -0.259 0.000 0.913 663 P CB 0.374 31.974 31.700 -0.167 0.000 0.774 664 R N 0.000 120.403 120.500 -0.161 0.000 2.786 664 R HA 0.000 4.815 4.340 0.792 0.000 0.208 664 R CA 0.000 56.034 56.100 -0.110 0.000 0.921 664 R CB 0.000 30.261 30.300 -0.065 0.000 0.687 664 R HN 0.000 nan 8.270 nan 0.000 0.535