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 3amv_1_A DATA FIRST_RESID 5 DATA SEQUENCE SDQEKRKQIX VRGLAGVENV TELKKNFNRH LHFTLVKDRN VATPRDYYFA DATA SEQUENCE LAHTVRDHLV GRWIRTQQHY YEKDPKRIYY LSLEFYMGRT LQNTMVNLAL DATA SEQUENCE ENACDEATYQ LGLDMEELEE IEEDAGLGNG GLGRLAACFL DSMATLGLAA DATA SEQUENCE YGYGIRYEFG IFNQKICGGW QMEEADDWLR YGNPWEKARP EFTLPVHFYG DATA SEQUENCE RVEHTSQGAK WVDTQVVLAM PYDTPVPGYR NNVVNTMRLW SAKAPNXXXX DATA SEQUENCE XXXXXGGYIQ AVLDRNLAEN ISRVLYPNDN FFEGKELRLK QEYFVVAATL DATA SEQUENCE QDIIRRFKSS XXXXXXXXXX NFDAFPDKVA IQLNDTHPSL AIPELMRVLV DATA SEQUENCE DLERLDWDKA WEVTVKTCAY TNHTVLPEAL ERWPVHLLET LLPRHLQIIY DATA SEQUENCE EINQRFLNRV AAAFPGDVDR LRRMSLVEEG AVKRINMAHL CIAGSHAVNG DATA SEQUENCE VARIHSEILK KTIFKDFYEL EPHKFQNKTN GITPRRWLVL CNPGLAEIIA DATA SEQUENCE ERIGEEYISD LDQLRKLLSY VDDEAFIRDV AKVKQENKLK FAAYLEREYK DATA SEQUENCE VHINPNSLFD VQVKRIHEYK RQLLNCLHVI TLYNRIKKEP NKFVVPRTVM DATA SEQUENCE IGGKAAPGYH MAKMIIKLIT AIGDVVNHDP VVGDRLRVIF LENYRVSLAE DATA SEQUENCE KVIPAADLSE QISTAGTEAS GTGNMKFMLN GALTIGTMDG ANVEMAEEAG DATA SEQUENCE EENFFIFGMR VEDVDRLDQR GYNAQEYYDR IPELRQIIEQ LSSGFFSPKQ DATA SEQUENCE PDLFKDIVNM LMHHDRFKVF ADYEEYVKCQ ERVSALYKNP REWTRMVIRN DATA SEQUENCE IATSGKFSSD RTIAQYAREI WGVEPSRQRL P 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 5 S HA 0.000 nan 4.470 nan 0.000 0.327 5 S C 0.000 174.597 174.600 -0.006 0.000 1.055 5 S CA 0.000 58.197 58.200 -0.005 0.000 1.107 5 S CB 0.000 63.197 63.200 -0.005 0.000 0.593 6 D N 0.411 120.807 120.400 -0.007 0.000 4.472 6 D HA -0.254 4.374 4.640 -0.020 0.000 0.293 6 D C 1.014 177.309 176.300 -0.009 0.000 0.500 6 D CA 2.463 56.458 54.000 -0.008 0.000 1.076 6 D CB -0.590 40.205 40.800 -0.007 0.000 0.581 6 D HN 0.441 nan 8.370 nan 0.000 0.326 7 Q N -0.223 119.572 119.800 -0.008 0.000 2.488 7 Q HA -0.019 4.309 4.340 -0.020 0.000 0.211 7 Q C 1.456 177.452 176.000 -0.007 0.000 0.967 7 Q CA 0.787 56.585 55.803 -0.008 0.000 0.926 7 Q CB 0.120 28.854 28.738 -0.007 0.000 0.992 7 Q HN 0.532 nan 8.270 nan 0.000 0.506 8 E N 0.345 120.541 120.200 -0.006 0.000 2.447 8 E HA 0.010 4.348 4.350 -0.020 0.000 0.195 8 E C 1.069 177.666 176.600 -0.006 0.000 1.028 8 E CA 0.263 56.660 56.400 -0.005 0.000 0.876 8 E CB 0.362 30.060 29.700 -0.003 0.000 0.885 8 E HN 0.285 nan 8.360 nan 0.000 0.500 9 K N 0.182 120.578 120.400 -0.008 0.000 2.418 9 K HA 0.100 4.408 4.320 -0.020 0.000 0.195 9 K C 1.611 178.205 176.600 -0.011 0.000 1.035 9 K CA 0.226 56.508 56.287 -0.009 0.000 1.003 9 K CB 0.353 32.847 32.500 -0.010 0.000 0.793 9 K HN -0.135 nan 8.250 nan 0.000 0.494 10 R N 0.607 121.100 120.500 -0.012 0.000 2.310 10 R HA 0.056 4.384 4.340 -0.020 0.000 0.202 10 R C 1.198 177.490 176.300 -0.013 0.000 0.933 10 R CA 0.346 56.438 56.100 -0.015 0.000 1.054 10 R CB 0.144 30.433 30.300 -0.017 0.000 0.985 10 R HN 0.141 nan 8.270 nan 0.000 0.489 11 K N 0.871 121.265 120.400 -0.009 0.000 2.288 11 K HA -0.092 4.216 4.320 -0.020 0.000 0.201 11 K C 1.753 178.348 176.600 -0.007 0.000 1.048 11 K CA 0.818 57.100 56.287 -0.007 0.000 0.956 11 K CB 0.214 32.712 32.500 -0.004 0.000 0.746 11 K HN 0.278 nan 8.250 nan 0.000 0.461 12 Q N 0.604 120.399 119.800 -0.009 0.000 2.050 12 Q HA -0.076 4.252 4.340 -0.020 0.000 0.202 12 Q C 1.072 177.066 176.000 -0.011 0.000 0.980 12 Q CA 0.898 56.696 55.803 -0.009 0.000 0.840 12 Q CB -0.254 28.478 28.738 -0.010 0.000 0.898 12 Q HN 0.251 nan 8.270 nan 0.000 0.424 16 R N 2.353 122.856 120.500 0.004 0.000 2.327 16 R HA -0.187 4.141 4.340 -0.020 0.000 0.206 16 R C 1.188 177.492 176.300 0.007 0.000 1.056 16 R CA 2.521 58.624 56.100 0.006 0.000 0.564 16 R CB -1.936 28.366 30.300 0.003 0.000 0.839 16 R HN 1.404 nan 8.270 nan 0.000 0.299 17 G N 1.126 109.929 108.800 0.005 0.000 2.417 17 G HA2 0.565 4.513 3.960 -0.020 0.000 0.320 17 G HA3 0.565 4.513 3.960 -0.020 0.000 0.320 17 G C -0.539 174.362 174.900 0.002 0.000 1.204 17 G CA -0.863 44.241 45.100 0.006 0.000 0.923 17 G HN 0.245 nan 8.290 nan 0.000 0.466 18 L N 2.553 123.776 121.223 0.001 0.000 2.849 18 L HA 0.753 5.081 4.340 -0.020 0.000 0.230 18 L C 1.463 178.321 176.870 -0.020 0.000 1.589 18 L CA -0.451 54.378 54.840 -0.018 0.000 1.664 18 L CB 1.117 43.157 42.059 -0.032 0.000 2.392 18 L HN 0.500 nan 8.230 nan 0.000 0.586 19 A N -0.001 122.783 122.820 -0.060 0.000 2.176 19 A HA 0.411 4.719 4.320 -0.020 0.000 0.214 19 A C 0.984 178.590 177.584 0.037 0.000 1.327 19 A CA 0.974 52.991 52.037 -0.033 0.000 1.015 19 A CB -1.688 17.247 19.000 -0.110 0.000 0.818 19 A HN 1.438 nan 8.150 nan 0.000 0.500 20 G N -1.629 107.194 108.800 0.039 0.000 2.715 20 G HA2 -0.121 3.827 3.960 -0.020 0.000 0.221 20 G HA3 -0.121 3.827 3.960 -0.020 0.000 0.221 20 G C 0.685 175.629 174.900 0.073 0.000 1.204 20 G CA 0.459 45.593 45.100 0.058 0.000 1.063 20 G HN 1.493 nan 8.290 nan 0.000 0.586 21 V N -3.343 116.623 119.914 0.085 0.000 3.398 21 V HA 0.626 4.734 4.120 -0.020 0.000 0.298 21 V C 0.513 176.651 176.094 0.074 0.000 1.496 21 V CA 1.165 63.508 62.300 0.072 0.000 1.044 21 V CB 0.246 32.094 31.823 0.041 0.000 0.880 21 V HN 1.429 nan 8.190 nan 0.000 0.443 22 E N -0.017 120.251 120.200 0.113 0.000 2.847 22 E HA -0.141 4.198 4.350 -0.020 0.000 0.315 22 E C -0.385 176.213 176.600 -0.003 0.000 0.937 22 E CA 0.537 56.953 56.400 0.027 0.000 0.998 22 E CB -2.225 27.449 29.700 -0.045 0.000 1.457 22 E HN 0.871 nan 8.360 nan 0.000 0.398 23 N N -0.916 117.805 118.700 0.036 0.000 2.701 23 N HA 0.400 5.128 4.740 -0.020 0.000 0.290 23 N C 1.334 176.864 175.510 0.034 0.000 1.338 23 N CA -0.358 52.704 53.050 0.020 0.000 0.799 23 N CB 2.087 40.586 38.487 0.020 0.000 1.491 23 N HN -0.135 nan 8.380 nan 0.000 0.540 24 V N 0.499 120.426 119.914 0.023 0.000 2.287 24 V HA -0.238 3.870 4.120 -0.020 0.000 0.248 24 V C 2.079 178.196 176.094 0.038 0.000 1.053 24 V CA 1.857 64.173 62.300 0.027 0.000 1.027 24 V CB -0.774 31.061 31.823 0.020 0.000 0.646 24 V HN 0.752 nan 8.190 nan 0.000 0.447 25 T N -0.450 114.126 114.554 0.037 0.000 2.652 25 T HA -0.186 4.152 4.350 -0.020 0.000 0.267 25 T C 1.919 176.651 174.700 0.054 0.000 1.039 25 T CA 1.610 63.733 62.100 0.039 0.000 1.153 25 T CB -0.295 68.592 68.868 0.032 0.000 0.863 25 T HN 0.439 nan 8.240 nan 0.000 0.428 26 E N 0.679 120.918 120.200 0.066 0.000 2.150 26 E HA -0.011 4.327 4.350 -0.020 0.000 0.193 26 E C 2.181 178.852 176.600 0.119 0.000 0.985 26 E CA 0.454 56.904 56.400 0.083 0.000 0.814 26 E CB -0.387 29.367 29.700 0.089 0.000 0.752 26 E HN 0.256 nan 8.360 nan 0.000 0.466 27 L N 1.290 122.591 121.223 0.130 0.000 2.056 27 L HA -0.142 4.186 4.340 -0.020 0.000 0.207 27 L C 2.111 179.081 176.870 0.167 0.000 1.078 27 L CA 1.702 56.643 54.840 0.169 0.000 0.749 27 L CB -0.488 41.645 42.059 0.124 0.000 0.901 27 L HN -0.019 nan 8.230 nan 0.000 0.433 28 K N -0.889 119.575 120.400 0.106 0.000 2.026 28 K HA -0.234 4.074 4.320 -0.020 0.000 0.208 28 K C 2.156 178.849 176.600 0.156 0.000 1.048 28 K CA 1.422 57.767 56.287 0.097 0.000 0.929 28 K CB -0.118 32.404 32.500 0.037 0.000 0.713 28 K HN -0.019 nan 8.250 nan 0.000 0.439 29 K N 1.133 121.600 120.400 0.111 0.000 2.044 29 K HA -0.139 4.169 4.320 -0.020 0.000 0.210 29 K C 1.705 178.366 176.600 0.103 0.000 1.049 29 K CA 1.614 57.954 56.287 0.088 0.000 0.927 29 K CB -0.101 32.434 32.500 0.058 0.000 0.713 29 K HN 0.145 nan 8.250 nan 0.000 0.443 30 N N -0.770 118.014 118.700 0.141 0.000 2.270 30 N HA -0.122 4.606 4.740 -0.020 0.000 0.181 30 N C 1.659 177.318 175.510 0.249 0.000 1.016 30 N CA 0.919 54.061 53.050 0.152 0.000 0.870 30 N CB -0.149 38.450 38.487 0.186 0.000 0.979 30 N HN 0.169 nan 8.380 nan 0.000 0.431 31 F N 2.457 122.490 119.950 0.138 0.000 2.134 31 F HA -0.090 4.426 4.527 -0.020 0.000 0.299 31 F C 2.157 178.027 175.800 0.116 0.000 1.097 31 F CA 1.270 59.359 58.000 0.148 0.000 1.264 31 F CB -0.326 38.735 39.000 0.102 0.000 1.001 31 F HN -0.003 nan 8.300 nan 0.000 0.479 32 N N 0.560 119.440 118.700 0.300 0.000 2.120 32 N HA -0.240 4.488 4.740 -0.020 0.000 0.188 32 N C 2.186 177.707 175.510 0.018 0.000 1.024 32 N CA 1.348 54.503 53.050 0.176 0.000 0.852 32 N CB -0.289 38.314 38.487 0.193 0.000 1.003 32 N HN 0.367 nan 8.380 nan 0.000 0.424 33 R N 0.097 120.561 120.500 -0.060 0.000 2.073 33 R HA -0.126 4.202 4.340 -0.020 0.000 0.234 33 R C 2.056 178.195 176.300 -0.268 0.000 1.134 33 R CA 1.311 57.267 56.100 -0.240 0.000 0.952 33 R CB -0.310 29.851 30.300 -0.232 0.000 0.850 33 R HN 0.341 nan 8.270 nan 0.000 0.433 34 H N 0.187 119.174 119.070 -0.137 0.000 2.389 34 H HA -0.118 4.426 4.556 -0.020 0.000 0.299 34 H C 2.024 177.205 175.328 -0.245 0.000 1.081 34 H CA 1.567 57.510 56.048 -0.175 0.000 1.345 34 H CB -0.027 29.635 29.762 -0.167 0.000 1.393 34 H HN 0.212 nan 8.280 nan 0.000 0.520 35 L N 0.434 121.510 121.223 -0.245 0.000 2.093 35 L HA -0.157 4.171 4.340 -0.020 0.000 0.208 35 L C 2.299 178.950 176.870 -0.365 0.000 1.085 35 L CA 1.655 56.274 54.840 -0.368 0.000 0.755 35 L CB -0.417 41.358 42.059 -0.474 0.000 0.904 35 L HN 0.252 nan 8.230 nan 0.000 0.435 36 H N -1.803 117.178 119.070 -0.149 0.000 2.329 36 H HA 0.020 4.565 4.556 -0.020 0.000 0.306 36 H C 2.051 177.414 175.328 0.058 0.000 1.062 36 H CA 1.576 57.553 56.048 -0.118 0.000 1.364 36 H CB -0.232 29.365 29.762 -0.275 0.000 1.409 36 H HN 0.253 nan 8.280 nan 0.000 0.519 37 F N 0.919 120.873 119.950 0.007 0.000 2.293 37 F HA -0.020 4.495 4.527 -0.020 0.000 0.297 37 F C 2.406 178.147 175.800 -0.099 0.000 1.089 37 F CA 0.780 58.746 58.000 -0.057 0.000 1.377 37 F CB -0.757 38.189 39.000 -0.090 0.000 1.051 37 F HN 0.059 nan 8.300 nan 0.000 0.511 38 T N -0.322 114.272 114.554 0.068 0.000 3.010 38 T HA 0.082 4.420 4.350 -0.020 0.000 0.252 38 T C 1.972 176.613 174.700 -0.099 0.000 1.047 38 T CA 0.646 62.713 62.100 -0.055 0.000 1.140 38 T CB -0.128 68.676 68.868 -0.108 0.000 0.885 38 T HN 0.073 nan 8.240 nan 0.000 0.464 39 L N 1.019 122.185 121.223 -0.096 0.000 2.585 39 L HA 0.246 4.574 4.340 -0.020 0.000 0.226 39 L C 0.237 177.054 176.870 -0.089 0.000 1.113 39 L CA -0.078 54.686 54.840 -0.127 0.000 0.876 39 L CB 0.126 42.084 42.059 -0.168 0.000 1.072 39 L HN -0.070 nan 8.230 nan 0.000 0.468 40 V N 0.667 120.566 119.914 -0.025 0.000 5.915 40 V HA -0.303 3.805 4.120 -0.020 0.000 0.250 40 V C 0.100 176.187 176.094 -0.012 0.000 0.647 40 V CA 1.104 63.417 62.300 0.022 0.000 0.573 40 V CB -2.124 29.701 31.823 0.004 0.000 0.266 40 V HN 0.414 nan 8.190 nan 0.000 0.580 41 K N 1.045 121.421 120.400 -0.040 0.000 2.466 41 K HA 0.755 5.063 4.320 -0.020 0.000 0.277 41 K C -0.708 175.844 176.600 -0.079 0.000 1.039 41 K CA -0.350 55.891 56.287 -0.076 0.000 0.904 41 K CB 2.753 35.154 32.500 -0.166 0.000 1.506 41 K HN 0.539 nan 8.250 nan 0.000 0.441 42 D N -1.357 119.010 120.400 -0.055 0.000 2.596 42 D HA 0.164 4.792 4.640 -0.020 0.000 0.262 42 D C 0.539 176.852 176.300 0.023 0.000 1.210 42 D CA -0.611 53.422 54.000 0.054 0.000 0.873 42 D CB 1.134 42.082 40.800 0.247 0.000 1.408 42 D HN 0.513 nan 8.370 nan 0.000 0.441 43 R N 0.471 121.044 120.500 0.121 0.000 2.170 43 R HA -0.121 4.207 4.340 -0.020 0.000 0.242 43 R C 0.640 177.012 176.300 0.121 0.000 1.145 43 R CA 1.256 57.455 56.100 0.166 0.000 0.984 43 R CB -0.647 29.766 30.300 0.188 0.000 0.869 43 R HN 0.278 nan 8.270 nan 0.000 0.455 44 N N 0.909 119.659 118.700 0.083 0.000 2.396 44 N HA -0.067 4.661 4.740 -0.020 0.000 0.180 44 N C 1.509 177.039 175.510 0.033 0.000 1.028 44 N CA 1.683 54.768 53.050 0.059 0.000 0.893 44 N CB 0.562 39.079 38.487 0.049 0.000 0.967 44 N HN 0.420 nan 8.380 nan 0.000 0.440 45 V N -3.306 116.611 119.914 0.006 0.000 3.398 45 V HA 0.521 4.629 4.120 -0.020 0.000 0.298 45 V C 0.697 176.741 176.094 -0.082 0.000 1.496 45 V CA -0.596 61.690 62.300 -0.023 0.000 1.044 45 V CB -0.222 31.588 31.823 -0.020 0.000 0.880 45 V HN 0.030 nan 8.190 nan 0.000 0.443 46 A N 2.388 125.122 122.820 -0.142 0.000 2.520 46 A HA 0.533 4.841 4.320 -0.020 0.000 0.245 46 A C 0.800 178.186 177.584 -0.330 0.000 1.072 46 A CA 0.912 52.734 52.037 -0.359 0.000 0.761 46 A CB -0.207 18.375 19.000 -0.698 0.000 1.004 46 A HN 0.884 nan 8.150 nan 0.000 0.499 47 T N 0.587 114.964 114.554 -0.294 0.000 2.927 47 T HA 0.531 4.870 4.350 -0.020 0.000 0.281 47 T C -1.958 172.670 174.700 -0.120 0.000 0.998 47 T CA -1.692 60.325 62.100 -0.139 0.000 1.019 47 T CB 1.156 69.975 68.868 -0.081 0.000 1.061 47 T HN 0.281 nan 8.240 nan 0.000 0.518 48 P HA -0.089 nan 4.420 nan 0.000 0.216 48 P C 1.613 179.036 177.300 0.206 0.000 1.153 48 P CA 0.983 64.213 63.100 0.217 0.000 0.858 48 P CB 0.037 31.831 31.700 0.156 0.000 0.789 49 R N -0.129 120.442 120.500 0.117 0.000 2.096 49 R HA -0.145 4.183 4.340 -0.020 0.000 0.235 49 R C 1.758 178.238 176.300 0.300 0.000 1.127 49 R CA 1.673 57.897 56.100 0.206 0.000 0.968 49 R CB -0.645 29.676 30.300 0.035 0.000 0.861 49 R HN 0.109 nan 8.270 nan 0.000 0.440 50 D N -0.510 119.918 120.400 0.047 0.000 2.117 50 D HA -0.186 4.442 4.640 -0.020 0.000 0.197 50 D C 1.674 177.975 176.300 0.001 0.000 0.987 50 D CA 1.302 55.263 54.000 -0.065 0.000 0.829 50 D CB -0.247 40.366 40.800 -0.311 0.000 0.961 50 D HN 0.276 nan 8.370 nan 0.000 0.460 51 Y N 0.205 120.590 120.300 0.143 0.000 2.181 51 Y HA -0.226 4.312 4.550 -0.020 0.000 0.288 51 Y C 2.326 178.373 175.900 0.246 0.000 1.146 51 Y CA 0.477 58.712 58.100 0.225 0.000 1.164 51 Y CB -1.129 37.518 38.460 0.311 0.000 0.982 51 Y HN 0.099 nan 8.280 nan 0.000 0.515 52 Y N -0.491 119.989 120.300 0.300 0.000 2.128 52 Y HA -0.294 4.244 4.550 -0.020 0.000 0.284 52 Y C 1.958 177.884 175.900 0.043 0.000 1.154 52 Y CA 1.260 59.451 58.100 0.151 0.000 1.149 52 Y CB -1.178 37.306 38.460 0.041 0.000 0.976 52 Y HN 0.048 nan 8.280 nan 0.000 0.505 53 F N 0.233 119.905 119.950 -0.464 0.000 2.186 53 F HA -0.104 4.411 4.527 -0.020 0.000 0.299 53 F C 2.669 178.270 175.800 -0.331 0.000 1.090 53 F CA 1.450 59.113 58.000 -0.560 0.000 1.307 53 F CB -1.012 37.851 39.000 -0.229 0.000 1.019 53 F HN 0.195 nan 8.300 nan 0.000 0.489 54 A N -0.005 122.759 122.820 -0.094 0.000 1.883 54 A HA -0.213 4.095 4.320 -0.020 0.000 0.217 54 A C 2.109 179.575 177.584 -0.197 0.000 1.186 54 A CA 1.836 53.675 52.037 -0.330 0.000 0.624 54 A CB -1.179 17.206 19.000 -1.025 0.000 0.822 54 A HN 0.356 nan 8.150 nan 0.000 0.444 55 L N -0.231 121.046 121.223 0.089 0.000 2.017 55 L HA -0.067 4.261 4.340 -0.020 0.000 0.208 55 L C 2.658 179.535 176.870 0.011 0.000 1.073 55 L CA 2.346 57.358 54.840 0.286 0.000 0.745 55 L CB -0.867 41.406 42.059 0.356 0.000 0.894 55 L HN 0.348 nan 8.230 nan 0.000 0.432 56 A N -1.374 121.280 122.820 -0.278 0.000 1.908 56 A HA -0.249 4.059 4.320 -0.020 0.000 0.218 56 A C 2.231 179.470 177.584 -0.576 0.000 1.181 56 A CA 1.808 53.575 52.037 -0.449 0.000 0.627 56 A CB -0.987 17.428 19.000 -0.975 0.000 0.818 56 A HN 0.697 nan 8.150 nan 0.000 0.445 57 H N -0.423 118.323 119.070 -0.540 0.000 2.357 57 H HA -0.076 4.468 4.556 -0.020 0.000 0.301 57 H C 2.341 177.350 175.328 -0.532 0.000 1.082 57 H CA 1.890 57.527 56.048 -0.686 0.000 1.342 57 H CB -0.625 28.471 29.762 -1.111 0.000 1.389 57 H HN 0.476 nan 8.280 nan 0.000 0.511 58 T N 0.805 115.231 114.554 -0.213 0.000 2.720 58 T HA -0.101 4.237 4.350 -0.020 0.000 0.268 58 T C 2.432 177.262 174.700 0.217 0.000 1.037 58 T CA 1.265 63.437 62.100 0.121 0.000 1.144 58 T CB -0.439 68.592 68.868 0.271 0.000 0.864 58 T HN 0.072 nan 8.240 nan 0.000 0.444 59 V N 1.506 121.539 119.914 0.199 0.000 2.307 59 V HA -0.127 3.981 4.120 -0.020 0.000 0.245 59 V C 2.684 178.961 176.094 0.305 0.000 1.045 59 V CA 1.545 64.025 62.300 0.299 0.000 1.024 59 V CB -0.604 31.386 31.823 0.277 0.000 0.651 59 V HN 0.371 nan 8.190 nan 0.000 0.449 60 R N 0.168 120.790 120.500 0.204 0.000 2.117 60 R HA -0.226 4.102 4.340 -0.020 0.000 0.243 60 R C 1.923 178.333 176.300 0.182 0.000 1.143 60 R CA 2.087 58.316 56.100 0.216 0.000 0.968 60 R CB -0.502 29.767 30.300 -0.052 0.000 0.863 60 R HN 0.506 nan 8.270 nan 0.000 0.444 61 D N -0.260 120.212 120.400 0.121 0.000 2.182 61 D HA -0.166 4.462 4.640 -0.020 0.000 0.201 61 D C 1.738 178.044 176.300 0.010 0.000 0.986 61 D CA 1.066 55.106 54.000 0.065 0.000 0.847 61 D CB -0.372 40.442 40.800 0.024 0.000 0.942 61 D HN 0.458 nan 8.370 nan 0.000 0.467 62 H N -0.415 118.724 119.070 0.116 0.000 2.491 62 H HA -0.031 4.513 4.556 -0.020 0.000 0.290 62 H C 1.904 177.283 175.328 0.084 0.000 1.050 62 H CA 0.326 56.427 56.048 0.087 0.000 1.309 62 H CB 0.281 30.083 29.762 0.067 0.000 1.392 62 H HN 0.105 nan 8.280 nan 0.000 0.554 63 L N 0.275 121.621 121.223 0.204 0.000 2.131 63 L HA -0.099 4.229 4.340 -0.020 0.000 0.206 63 L C 2.583 179.589 176.870 0.227 0.000 1.087 63 L CA 0.798 55.730 54.840 0.152 0.000 0.767 63 L CB -0.863 41.260 42.059 0.105 0.000 0.917 63 L HN -0.009 nan 8.230 nan 0.000 0.441 64 V N 0.071 120.144 119.914 0.265 0.000 2.231 64 V HA -0.328 3.780 4.120 -0.020 0.000 0.250 64 V C 2.601 178.814 176.094 0.199 0.000 1.058 64 V CA 2.107 64.578 62.300 0.285 0.000 1.022 64 V CB -1.776 30.155 31.823 0.180 0.000 0.640 64 V HN 0.544 nan 8.190 nan 0.000 0.445 65 G N -0.424 108.450 108.800 0.123 0.000 2.476 65 G HA2 -0.294 3.654 3.960 -0.020 0.000 0.218 65 G HA3 -0.294 3.654 3.960 -0.020 0.000 0.218 65 G C 1.730 176.686 174.900 0.093 0.000 1.164 65 G CA 1.189 46.338 45.100 0.082 0.000 0.768 65 G HN 0.482 nan 8.290 nan 0.000 0.560 66 R N -1.394 119.170 120.500 0.107 0.000 2.073 66 R HA -0.074 4.254 4.340 -0.020 0.000 0.234 66 R C 2.265 178.653 176.300 0.147 0.000 1.134 66 R CA 1.287 57.436 56.100 0.082 0.000 0.952 66 R CB -0.482 29.849 30.300 0.051 0.000 0.850 66 R HN 0.475 nan 8.270 nan 0.000 0.433 67 W N 1.504 122.795 121.300 -0.017 0.000 2.318 67 W HA -0.134 4.515 4.660 -0.019 0.000 0.313 67 W C 1.699 178.203 176.519 -0.024 0.000 1.221 67 W CA 1.178 58.513 57.345 -0.016 0.000 1.266 67 W CB -0.558 28.911 29.460 0.014 0.000 1.150 67 W HN 0.030 nan 8.180 nan 0.000 0.496 68 I N -0.080 120.576 120.570 0.144 0.000 2.286 68 I HA -0.275 3.883 4.170 -0.020 0.000 0.245 68 I C 2.465 178.590 176.117 0.013 0.000 1.104 68 I CA 1.160 62.456 61.300 -0.007 0.000 1.397 68 I CB -0.537 37.448 38.000 -0.024 0.000 1.072 68 I HN -0.206 nan 8.210 nan 0.000 0.417 69 R N 0.523 121.041 120.500 0.030 0.000 2.081 69 R HA -0.117 4.211 4.340 -0.020 0.000 0.235 69 R C 2.320 178.602 176.300 -0.030 0.000 1.131 69 R CA 1.775 57.879 56.100 0.007 0.000 0.960 69 R CB -0.989 29.310 30.300 -0.001 0.000 0.856 69 R HN 0.271 nan 8.270 nan 0.000 0.436 70 T N 0.694 115.208 114.554 -0.067 0.000 2.737 70 T HA -0.112 4.226 4.350 -0.020 0.000 0.265 70 T C 1.575 176.040 174.700 -0.392 0.000 1.038 70 T CA 1.083 63.031 62.100 -0.254 0.000 1.144 70 T CB -0.111 68.639 68.868 -0.197 0.000 0.866 70 T HN 0.174 nan 8.240 nan 0.000 0.434 71 Q N 1.062 120.788 119.800 -0.122 0.000 2.119 71 Q HA -0.033 4.295 4.340 -0.020 0.000 0.201 71 Q C 2.340 178.384 176.000 0.075 0.000 0.972 71 Q CA 1.263 57.073 55.803 0.011 0.000 0.847 71 Q CB -0.417 28.375 28.738 0.091 0.000 0.903 71 Q HN 0.610 nan 8.270 nan 0.000 0.433 72 Q N -0.494 119.337 119.800 0.051 0.000 2.084 72 Q HA -0.175 4.153 4.340 -0.020 0.000 0.202 72 Q C 2.154 178.248 176.000 0.157 0.000 0.978 72 Q CA 1.194 57.066 55.803 0.116 0.000 0.844 72 Q CB -0.172 28.611 28.738 0.076 0.000 0.898 72 Q HN 0.533 nan 8.270 nan 0.000 0.426 73 H N -0.697 118.351 119.070 -0.037 0.000 2.290 73 H HA -0.193 4.351 4.556 -0.020 0.000 0.298 73 H C 1.510 176.889 175.328 0.086 0.000 1.087 73 H CA 1.802 57.829 56.048 -0.035 0.000 1.291 73 H CB 0.075 29.742 29.762 -0.159 0.000 1.369 73 H HN 0.316 nan 8.280 nan 0.000 0.492 74 Y N -0.490 119.878 120.300 0.112 0.000 2.333 74 Y HA -0.203 4.335 4.550 -0.020 0.000 0.290 74 Y C 2.549 178.491 175.900 0.071 0.000 1.144 74 Y CA 0.831 58.967 58.100 0.060 0.000 1.228 74 Y CB -1.258 37.310 38.460 0.180 0.000 0.985 74 Y HN 0.338 nan 8.280 nan 0.000 0.542 75 Y N 1.065 121.460 120.300 0.159 0.000 2.220 75 Y HA -0.129 4.409 4.550 -0.020 0.000 0.291 75 Y C 2.071 177.991 175.900 0.033 0.000 1.129 75 Y CA 1.506 59.665 58.100 0.099 0.000 1.161 75 Y CB -0.072 38.440 38.460 0.088 0.000 0.997 75 Y HN -0.073 nan 8.280 nan 0.000 0.522 76 E N 0.798 120.969 120.200 -0.049 0.000 2.007 76 E HA -0.162 4.176 4.350 -0.020 0.000 0.194 76 E C 2.117 178.605 176.600 -0.186 0.000 0.999 76 E CA 1.645 57.959 56.400 -0.143 0.000 0.811 76 E CB -0.365 29.312 29.700 -0.038 0.000 0.762 76 E HN 0.432 nan 8.360 nan 0.000 0.450 77 K N 0.304 120.588 120.400 -0.195 0.000 2.097 77 K HA -0.135 4.173 4.320 -0.020 0.000 0.206 77 K C 0.183 176.712 176.600 -0.118 0.000 1.049 77 K CA 1.047 57.226 56.287 -0.179 0.000 0.933 77 K CB -0.195 32.130 32.500 -0.293 0.000 0.717 77 K HN 0.085 nan 8.250 nan 0.000 0.442 78 D N 0.461 120.809 120.400 -0.086 0.000 2.760 78 D HA -0.080 4.548 4.640 -0.020 0.000 0.244 78 D C -2.355 173.922 176.300 -0.037 0.000 1.123 78 D CA 0.070 54.036 54.000 -0.057 0.000 0.719 78 D CB -0.298 40.435 40.800 -0.112 0.000 1.045 78 D HN 0.181 nan 8.370 nan 0.000 0.426 79 P HA 0.122 nan 4.420 nan 0.000 0.275 79 P C -0.009 177.259 177.300 -0.055 0.000 1.266 79 P CA -0.548 62.528 63.100 -0.040 0.000 0.793 79 P CB 0.593 32.262 31.700 -0.051 0.000 1.074 80 K N 0.805 121.171 120.400 -0.057 0.000 2.382 80 K HA 0.090 4.398 4.320 -0.020 0.000 0.275 80 K C 0.041 176.557 176.600 -0.138 0.000 1.009 80 K CA -0.306 55.939 56.287 -0.070 0.000 0.970 80 K CB 0.401 32.875 32.500 -0.044 0.000 0.934 80 K HN 0.281 nan 8.250 nan 0.000 0.479 81 R N 4.177 124.568 120.500 -0.182 0.000 2.407 81 R HA 0.394 4.722 4.340 -0.020 0.000 0.303 81 R C -0.366 175.598 176.300 -0.559 0.000 0.981 81 R CA -0.718 55.180 56.100 -0.337 0.000 0.905 81 R CB 0.619 30.718 30.300 -0.334 0.000 1.099 81 R HN 0.580 nan 8.270 nan 0.000 0.459 82 I N 3.056 123.253 120.570 -0.621 0.000 2.339 82 I HA 0.257 4.415 4.170 -0.020 0.000 0.290 82 I C -0.753 175.003 176.117 -0.601 0.000 0.994 82 I CA -0.758 60.121 61.300 -0.702 0.000 1.191 82 I CB 0.857 38.308 38.000 -0.914 0.000 1.343 82 I HN 0.344 nan 8.210 nan 0.000 0.458 83 Y N 5.915 126.180 120.300 -0.059 0.000 2.356 83 Y HA 0.293 4.831 4.550 -0.020 0.000 0.334 83 Y C -0.535 175.476 175.900 0.185 0.000 0.958 83 Y CA -0.788 57.409 58.100 0.162 0.000 1.196 83 Y CB 0.720 39.252 38.460 0.120 0.000 1.137 83 Y HN 0.396 nan 8.280 nan 0.000 0.485 84 Y N 4.550 125.042 120.300 0.320 0.000 2.535 84 Y HA 0.425 4.963 4.550 -0.020 0.000 0.349 84 Y C -1.031 175.142 175.900 0.455 0.000 0.992 84 Y CA -0.905 57.394 58.100 0.332 0.000 1.248 84 Y CB 0.144 38.806 38.460 0.337 0.000 1.124 84 Y HN 0.526 nan 8.280 nan 0.000 0.520 85 L N 4.926 126.204 121.223 0.093 0.000 2.281 85 L HA 0.434 4.762 4.340 -0.020 0.000 0.285 85 L C -0.120 176.768 176.870 0.029 0.000 1.074 85 L CA 0.249 55.192 54.840 0.171 0.000 0.817 85 L CB 1.100 43.229 42.059 0.116 0.000 1.168 85 L HN 0.576 nan 8.230 nan 0.000 0.434 86 S N 2.850 118.654 115.700 0.174 0.000 2.537 86 S HA 0.495 4.953 4.470 -0.020 0.000 0.270 86 S C 0.008 174.716 174.600 0.181 0.000 1.142 86 S CA -0.580 57.641 58.200 0.034 0.000 0.870 86 S CB 1.010 64.037 63.200 -0.290 0.000 1.112 86 S HN 0.458 nan 8.310 nan 0.000 0.466 87 L N 2.671 124.034 121.223 0.234 0.000 2.611 87 L HA 0.480 4.808 4.340 -0.020 0.000 0.229 87 L C 0.065 177.147 176.870 0.354 0.000 1.137 87 L CA 0.708 55.745 54.840 0.328 0.000 0.901 87 L CB -0.177 42.079 42.059 0.328 0.000 1.098 87 L HN 0.659 nan 8.230 nan 0.000 0.456 88 E N -1.233 119.058 120.200 0.151 0.000 2.343 88 E HA 0.406 4.744 4.350 -0.020 0.000 0.278 88 E C -1.408 175.099 176.600 -0.154 0.000 0.910 88 E CA -0.532 55.941 56.400 0.123 0.000 0.757 88 E CB 1.932 31.667 29.700 0.059 0.000 1.218 88 E HN -0.194 nan 8.360 nan 0.000 0.435 89 F N 1.763 121.831 119.950 0.197 0.000 3.090 89 F HA 0.154 4.669 4.527 -0.020 0.000 0.381 89 F C -0.959 174.936 175.800 0.159 0.000 1.231 89 F CA -0.695 57.411 58.000 0.176 0.000 1.177 89 F CB 0.908 40.005 39.000 0.162 0.000 1.598 89 F HN 0.488 nan 8.300 nan 0.000 0.589 90 Y N 4.959 125.340 120.300 0.136 0.000 2.570 90 Y HA 0.171 4.710 4.550 -0.019 0.000 0.336 90 Y C 1.152 177.076 175.900 0.040 0.000 1.284 90 Y CA -0.750 57.378 58.100 0.047 0.000 1.761 90 Y CB 0.252 38.727 38.460 0.024 0.000 1.724 90 Y HN 0.502 nan 8.280 nan 0.000 0.455 91 M N 1.095 120.809 119.600 0.189 0.000 2.419 91 M HA 0.098 4.566 4.480 -0.020 0.000 0.264 91 M C 1.563 177.828 176.300 -0.057 0.000 1.082 91 M CA 0.956 56.285 55.300 0.048 0.000 1.119 91 M CB -1.254 31.355 32.600 0.015 0.000 1.398 91 M HN 0.652 nan 8.290 nan 0.000 0.453 92 G N 1.456 110.223 108.800 -0.054 0.000 2.601 92 G HA2 -0.283 3.665 3.960 -0.020 0.000 0.261 92 G HA3 -0.283 3.665 3.960 -0.020 0.000 0.261 92 G C -0.281 174.552 174.900 -0.111 0.000 1.289 92 G CA -0.317 44.712 45.100 -0.119 0.000 0.920 92 G HN 0.470 nan 8.290 nan 0.000 0.571 93 R N -0.802 119.616 120.500 -0.137 0.000 2.582 93 R HA 0.544 4.872 4.340 -0.020 0.000 0.271 93 R C 1.134 177.296 176.300 -0.229 0.000 1.078 93 R CA 0.276 56.300 56.100 -0.127 0.000 1.127 93 R CB 0.630 30.866 30.300 -0.106 0.000 1.038 93 R HN 0.527 nan 8.270 nan 0.000 0.500 94 T N 1.112 115.473 114.554 -0.322 0.000 3.000 94 T HA -0.016 4.322 4.350 -0.020 0.000 0.248 94 T C 1.488 175.795 174.700 -0.655 0.000 1.034 94 T CA -0.144 61.565 62.100 -0.652 0.000 1.060 94 T CB 0.099 68.198 68.868 -1.281 0.000 0.983 94 T HN 0.314 nan 8.240 nan 0.000 0.482 95 L N 1.944 122.992 121.223 -0.292 0.000 1.956 95 L HA -0.099 4.229 4.340 -0.020 0.000 0.216 95 L C 2.474 179.297 176.870 -0.079 0.000 1.073 95 L CA 1.996 56.824 54.840 -0.020 0.000 0.762 95 L CB -0.761 41.473 42.059 0.293 0.000 0.889 95 L HN 0.164 nan 8.230 nan 0.000 0.433 96 Q N -0.835 118.920 119.800 -0.074 0.000 2.061 96 Q HA -0.280 4.048 4.340 -0.020 0.000 0.204 96 Q C 2.174 178.098 176.000 -0.126 0.000 0.984 96 Q CA 2.096 57.851 55.803 -0.080 0.000 0.846 96 Q CB -0.233 28.454 28.738 -0.085 0.000 0.902 96 Q HN 0.655 nan 8.270 nan 0.000 0.421 97 N N -0.632 117.954 118.700 -0.190 0.000 2.094 97 N HA -0.147 4.581 4.740 -0.020 0.000 0.191 97 N C 1.533 176.933 175.510 -0.183 0.000 1.023 97 N CA 2.226 55.156 53.050 -0.200 0.000 0.857 97 N CB -0.221 38.113 38.487 -0.256 0.000 1.013 97 N HN 0.136 nan 8.380 nan 0.000 0.426 98 T N 0.321 114.729 114.554 -0.244 0.000 2.746 98 T HA -0.086 4.252 4.350 -0.020 0.000 0.267 98 T C 1.942 176.575 174.700 -0.111 0.000 1.039 98 T CA 1.271 63.246 62.100 -0.208 0.000 1.142 98 T CB -0.186 68.510 68.868 -0.285 0.000 0.866 98 T HN 0.254 nan 8.240 nan 0.000 0.444 99 M N 0.472 120.024 119.600 -0.080 0.000 2.086 99 M HA -0.107 4.361 4.480 -0.020 0.000 0.261 99 M C 2.488 178.750 176.300 -0.063 0.000 1.067 99 M CA 1.358 56.625 55.300 -0.054 0.000 1.116 99 M CB -0.632 31.952 32.600 -0.026 0.000 1.348 99 M HN 0.100 nan 8.290 nan 0.000 0.407 100 V N 0.992 120.875 119.914 -0.052 0.000 2.255 100 V HA -0.315 3.794 4.120 -0.020 0.000 0.247 100 V C 1.866 177.958 176.094 -0.004 0.000 1.051 100 V CA 1.983 64.277 62.300 -0.010 0.000 1.018 100 V CB -0.880 30.946 31.823 0.005 0.000 0.641 100 V HN 0.531 nan 8.190 nan 0.000 0.445 101 N N -0.406 118.282 118.700 -0.019 0.000 2.453 101 N HA -0.099 4.629 4.740 -0.020 0.000 0.183 101 N C 1.180 176.572 175.510 -0.197 0.000 1.041 101 N CA 0.857 53.868 53.050 -0.066 0.000 0.900 101 N CB 0.073 38.543 38.487 -0.029 0.000 0.961 101 N HN 0.292 nan 8.380 nan 0.000 0.443 102 L N 0.097 121.230 121.223 -0.150 0.000 2.693 102 L HA 0.302 4.630 4.340 -0.020 0.000 0.235 102 L C 0.792 177.566 176.870 -0.160 0.000 1.127 102 L CA 0.032 54.784 54.840 -0.147 0.000 0.914 102 L CB -0.255 41.745 42.059 -0.098 0.000 1.193 102 L HN 0.031 nan 8.230 nan 0.000 0.502 103 A N -0.460 122.264 122.820 -0.160 0.000 2.869 103 A HA -0.224 4.084 4.320 -0.020 0.000 0.280 103 A C 1.135 178.652 177.584 -0.112 0.000 1.458 103 A CA 1.236 53.193 52.037 -0.134 0.000 0.776 103 A CB -2.052 16.855 19.000 -0.155 0.000 1.028 103 A HN 0.328 nan 8.150 nan 0.000 0.547 104 L N -1.563 119.593 121.223 -0.111 0.000 2.664 104 L HA 0.150 4.478 4.340 -0.020 0.000 0.233 104 L C 1.933 178.760 176.870 -0.071 0.000 1.113 104 L CA 0.727 55.495 54.840 -0.119 0.000 0.896 104 L CB 0.012 41.966 42.059 -0.175 0.000 1.163 104 L HN 0.639 nan 8.230 nan 0.000 0.497 105 E N 1.354 121.523 120.200 -0.052 0.000 2.086 105 E HA -0.296 4.042 4.350 -0.020 0.000 0.200 105 E C 1.678 178.263 176.600 -0.025 0.000 1.012 105 E CA 2.172 58.554 56.400 -0.030 0.000 0.812 105 E CB 0.045 29.731 29.700 -0.024 0.000 0.743 105 E HN 0.524 nan 8.360 nan 0.000 0.453 106 N N -0.816 117.866 118.700 -0.030 0.000 2.142 106 N HA -0.136 4.592 4.740 -0.020 0.000 0.186 106 N C 1.794 177.288 175.510 -0.027 0.000 1.023 106 N CA 0.719 53.752 53.050 -0.028 0.000 0.852 106 N CB -0.114 38.355 38.487 -0.030 0.000 0.998 106 N HN 0.195 nan 8.380 nan 0.000 0.424 107 A N 0.535 123.336 122.820 -0.032 0.000 1.902 107 A HA -0.140 4.168 4.320 -0.020 0.000 0.217 107 A C 2.436 180.011 177.584 -0.015 0.000 1.181 107 A CA 1.010 53.032 52.037 -0.026 0.000 0.623 107 A CB -0.879 18.098 19.000 -0.039 0.000 0.818 107 A HN 0.456 nan 8.150 nan 0.000 0.443 108 C N -0.769 118.521 119.300 -0.016 0.000 2.425 108 C HA -0.077 4.371 4.460 -0.020 0.000 0.277 108 C C 2.453 177.441 174.990 -0.004 0.000 1.280 108 C CA 1.174 60.193 59.018 0.001 0.000 1.744 108 C CB -1.138 26.613 27.740 0.019 0.000 1.989 108 C HN 0.692 nan 8.230 nan 0.000 0.491 109 D N 0.546 120.945 120.400 -0.002 0.000 2.144 109 D HA -0.138 4.491 4.640 -0.020 0.000 0.199 109 D C 2.150 178.464 176.300 0.023 0.000 0.984 109 D CA 1.413 55.417 54.000 0.005 0.000 0.834 109 D CB -0.192 40.604 40.800 -0.006 0.000 0.955 109 D HN 0.481 nan 8.370 nan 0.000 0.465 110 E N -0.075 120.132 120.200 0.013 0.000 2.076 110 E HA 0.082 4.420 4.350 -0.020 0.000 0.190 110 E C 1.853 178.495 176.600 0.070 0.000 0.979 110 E CA 1.268 57.694 56.400 0.043 0.000 0.807 110 E CB -0.479 29.223 29.700 0.004 0.000 0.761 110 E HN 0.175 nan 8.360 nan 0.000 0.454 111 A N 0.011 122.838 122.820 0.011 0.000 1.902 111 A HA -0.183 4.125 4.320 -0.020 0.000 0.217 111 A C 2.417 179.932 177.584 -0.115 0.000 1.181 111 A CA 2.552 54.571 52.037 -0.030 0.000 0.623 111 A CB -1.347 17.637 19.000 -0.027 0.000 0.818 111 A HN 0.476 nan 8.150 nan 0.000 0.443 112 T N -3.726 110.747 114.554 -0.134 0.000 2.995 112 T HA -0.161 4.177 4.350 -0.020 0.000 0.269 112 T C 1.744 176.349 174.700 -0.159 0.000 1.091 112 T CA 1.382 63.335 62.100 -0.245 0.000 1.128 112 T CB -0.476 68.281 68.868 -0.185 0.000 0.891 112 T HN 0.508 nan 8.240 nan 0.000 0.492 113 Y N 2.226 122.442 120.300 -0.139 0.000 2.184 113 Y HA -0.005 4.533 4.550 -0.019 0.000 0.290 113 Y C 2.571 178.409 175.900 -0.103 0.000 1.129 113 Y CA 1.279 59.317 58.100 -0.103 0.000 1.144 113 Y CB -0.427 37.992 38.460 -0.068 0.000 0.995 113 Y HN 0.195 nan 8.280 nan 0.000 0.513 114 Q N -0.004 119.715 119.800 -0.136 0.000 2.291 114 Q HA -0.087 4.241 4.340 -0.020 0.000 0.205 114 Q C 1.534 177.395 176.000 -0.231 0.000 0.970 114 Q CA 1.252 56.944 55.803 -0.185 0.000 0.876 114 Q CB -0.087 28.642 28.738 -0.016 0.000 0.935 114 Q HN 0.505 nan 8.270 nan 0.000 0.455 115 L N -0.316 120.755 121.223 -0.253 0.000 2.653 115 L HA 0.222 4.550 4.340 -0.020 0.000 0.232 115 L C 0.872 177.567 176.870 -0.291 0.000 1.169 115 L CA 0.021 54.707 54.840 -0.256 0.000 0.951 115 L CB -0.023 41.825 42.059 -0.351 0.000 1.181 115 L HN 0.276 nan 8.230 nan 0.000 0.460 116 G N 0.812 109.413 108.800 -0.333 0.000 2.225 116 G HA2 -0.285 3.663 3.960 -0.020 0.000 0.267 116 G HA3 -0.285 3.663 3.960 -0.020 0.000 0.267 116 G C -0.082 174.657 174.900 -0.269 0.000 1.024 116 G CA 0.222 45.136 45.100 -0.309 0.000 0.784 116 G HN 0.292 nan 8.290 nan 0.000 0.507 117 L N -0.448 120.607 121.223 -0.280 0.000 2.333 117 L HA 0.598 4.926 4.340 -0.020 0.000 0.269 117 L C -0.438 176.365 176.870 -0.111 0.000 1.010 117 L CA -1.132 53.569 54.840 -0.232 0.000 0.818 117 L CB 1.854 43.705 42.059 -0.347 0.000 1.306 117 L HN 0.067 nan 8.230 nan 0.000 0.430 118 D N 2.166 122.535 120.400 -0.050 0.000 2.443 118 D HA 0.169 4.797 4.640 -0.020 0.000 0.221 118 D C 0.669 176.985 176.300 0.028 0.000 1.097 118 D CA -0.292 53.713 54.000 0.008 0.000 0.865 118 D CB 1.408 42.222 40.800 0.023 0.000 1.034 118 D HN 0.503 nan 8.370 nan 0.000 0.511 119 M N 2.957 122.575 119.600 0.030 0.000 2.106 119 M HA -0.182 4.287 4.480 -0.020 0.000 0.259 119 M C 1.501 177.838 176.300 0.062 0.000 1.068 119 M CA 1.645 56.976 55.300 0.051 0.000 1.100 119 M CB 0.186 32.810 32.600 0.040 0.000 1.351 119 M HN 0.406 nan 8.290 nan 0.000 0.404 120 E N -0.255 119.973 120.200 0.047 0.000 2.077 120 E HA -0.261 4.077 4.350 -0.020 0.000 0.193 120 E C 1.937 178.565 176.600 0.048 0.000 0.989 120 E CA 1.496 57.922 56.400 0.042 0.000 0.800 120 E CB -0.153 29.570 29.700 0.039 0.000 0.746 120 E HN 0.600 nan 8.360 nan 0.000 0.452 121 E N 0.498 120.730 120.200 0.053 0.000 2.077 121 E HA -0.203 4.135 4.350 -0.020 0.000 0.193 121 E C 2.205 178.844 176.600 0.065 0.000 0.989 121 E CA 0.815 57.248 56.400 0.056 0.000 0.800 121 E CB 0.014 29.748 29.700 0.057 0.000 0.746 121 E HN 0.248 nan 8.360 nan 0.000 0.452 122 L N 0.307 121.590 121.223 0.099 0.000 2.093 122 L HA -0.153 4.175 4.340 -0.020 0.000 0.208 122 L C 2.346 179.271 176.870 0.092 0.000 1.085 122 L CA 1.176 56.111 54.840 0.158 0.000 0.755 122 L CB -0.479 41.728 42.059 0.247 0.000 0.904 122 L HN 0.126 nan 8.230 nan 0.000 0.435 123 E N -0.031 120.212 120.200 0.071 0.000 2.204 123 E HA -0.186 4.152 4.350 -0.020 0.000 0.195 123 E C 1.902 178.449 176.600 -0.090 0.000 0.990 123 E CA 0.667 57.074 56.400 0.012 0.000 0.821 123 E CB 0.111 29.827 29.700 0.026 0.000 0.750 123 E HN 0.346 nan 8.360 nan 0.000 0.477 124 E N 0.245 120.415 120.200 -0.051 0.000 2.418 124 E HA -0.098 4.240 4.350 -0.020 0.000 0.197 124 E C 1.761 178.300 176.600 -0.102 0.000 1.026 124 E CA 0.420 56.793 56.400 -0.045 0.000 0.862 124 E CB 0.144 29.854 29.700 0.017 0.000 0.799 124 E HN 0.363 nan 8.360 nan 0.000 0.518 125 I N 0.503 120.948 120.570 -0.209 0.000 2.500 125 I HA -0.067 4.091 4.170 -0.020 0.000 0.252 125 I C 1.307 177.159 176.117 -0.441 0.000 1.142 125 I CA 0.298 61.433 61.300 -0.276 0.000 1.451 125 I CB -0.633 37.209 38.000 -0.264 0.000 1.093 125 I HN 0.088 nan 8.210 nan 0.000 0.430 126 E N 3.431 123.194 120.200 -0.730 0.000 2.376 126 E HA -0.015 4.323 4.350 -0.020 0.000 0.266 126 E C -0.100 176.412 176.600 -0.146 0.000 1.009 126 E CA -0.107 55.952 56.400 -0.567 0.000 0.902 126 E CB 0.591 30.014 29.700 -0.461 0.000 0.972 126 E HN 0.394 nan 8.360 nan 0.000 0.439 127 E N 3.522 123.737 120.200 0.025 0.000 2.227 127 E HA 0.259 4.597 4.350 -0.020 0.000 0.268 127 E C -0.765 175.915 176.600 0.134 0.000 0.990 127 E CA -1.053 55.408 56.400 0.101 0.000 0.856 127 E CB 0.833 30.644 29.700 0.184 0.000 1.159 127 E HN 0.327 nan 8.360 nan 0.000 0.401 128 D N 0.593 121.042 120.400 0.082 0.000 2.449 128 D HA 0.170 4.799 4.640 -0.020 0.000 0.236 128 D C -0.620 175.675 176.300 -0.009 0.000 1.149 128 D CA 0.289 54.307 54.000 0.029 0.000 0.878 128 D CB 0.863 41.668 40.800 0.008 0.000 1.198 128 D HN 0.553 nan 8.370 nan 0.000 0.446 129 A N 2.019 124.774 122.820 -0.108 0.000 2.774 129 A HA 0.501 4.809 4.320 -0.020 0.000 0.326 129 A C 0.892 178.288 177.584 -0.314 0.000 1.478 129 A CA -0.487 51.266 52.037 -0.472 0.000 1.099 129 A CB -0.104 18.720 19.000 -0.293 0.000 1.148 129 A HN 0.466 nan 8.150 nan 0.000 0.519 130 G N 1.854 110.451 108.800 -0.338 0.000 3.717 130 G HA2 0.416 4.364 3.960 -0.020 0.000 0.258 130 G HA3 0.416 4.364 3.960 -0.020 0.000 0.258 130 G C 0.283 175.018 174.900 -0.276 0.000 1.088 130 G CA -0.283 44.742 45.100 -0.124 0.000 1.737 130 G HN 0.685 nan 8.290 nan 0.000 0.648 131 L N 1.431 122.537 121.223 -0.196 0.000 2.955 131 L HA 0.400 4.728 4.340 -0.020 0.000 0.238 131 L C 0.952 177.787 176.870 -0.058 0.000 1.359 131 L CA -0.258 54.557 54.840 -0.042 0.000 1.214 131 L CB -0.433 41.742 42.059 0.195 0.000 1.600 131 L HN 0.303 nan 8.230 nan 0.000 0.442 132 G N -1.057 107.499 108.800 -0.407 0.000 2.698 132 G HA2 0.205 4.153 3.960 -0.020 0.000 0.293 132 G HA3 0.205 4.153 3.960 -0.020 0.000 0.293 132 G C -0.154 174.258 174.900 -0.814 0.000 1.437 132 G CA -0.466 44.335 45.100 -0.499 0.000 0.852 132 G HN -0.040 nan 8.290 nan 0.000 0.499 133 N N -0.663 117.791 118.700 -0.411 0.000 2.387 133 N HA 0.187 4.915 4.740 -0.020 0.000 0.176 133 N C 1.188 176.648 175.510 -0.085 0.000 1.022 133 N CA 1.321 54.225 53.050 -0.243 0.000 0.883 133 N CB 1.163 39.637 38.487 -0.021 0.000 1.019 133 N HN 0.816 nan 8.380 nan 0.000 0.435 134 G N -0.683 108.158 108.800 0.068 0.000 2.825 134 G HA2 0.191 4.139 3.960 -0.020 0.000 0.100 134 G HA3 0.191 4.139 3.960 -0.020 0.000 0.100 134 G C 0.760 175.821 174.900 0.269 0.000 1.195 134 G CA 0.230 45.517 45.100 0.312 0.000 1.317 134 G HN 0.157 nan 8.290 nan 0.000 0.632 135 G N 0.534 109.427 108.800 0.155 0.000 2.514 135 G HA2 -0.164 3.784 3.960 -0.020 0.000 0.217 135 G HA3 -0.164 3.784 3.960 -0.020 0.000 0.217 135 G C 1.905 176.822 174.900 0.027 0.000 1.198 135 G CA 1.571 46.718 45.100 0.079 0.000 0.780 135 G HN 0.932 nan 8.290 nan 0.000 0.565 136 L N 0.697 121.905 121.223 -0.025 0.000 2.131 136 L HA 0.057 4.385 4.340 -0.020 0.000 0.210 136 L C 2.723 179.539 176.870 -0.089 0.000 1.092 136 L CA 1.898 56.634 54.840 -0.174 0.000 0.759 136 L CB -0.468 41.397 42.059 -0.323 0.000 0.903 136 L HN 0.269 nan 8.230 nan 0.000 0.435 137 G N -0.764 108.045 108.800 0.015 0.000 2.408 137 G HA2 -0.213 3.735 3.960 -0.020 0.000 0.215 137 G HA3 -0.213 3.735 3.960 -0.020 0.000 0.215 137 G C 1.668 176.657 174.900 0.148 0.000 1.156 137 G CA 0.124 45.258 45.100 0.058 0.000 0.793 137 G HN 0.167 nan 8.290 nan 0.000 0.535 138 R N 0.208 120.832 120.500 0.206 0.000 2.092 138 R HA 0.117 4.445 4.340 -0.020 0.000 0.231 138 R C 2.466 178.779 176.300 0.020 0.000 1.119 138 R CA 0.753 56.939 56.100 0.142 0.000 0.970 138 R CB -1.033 29.313 30.300 0.076 0.000 0.864 138 R HN 0.390 nan 8.270 nan 0.000 0.440 139 L N 0.634 121.797 121.223 -0.101 0.000 2.042 139 L HA -0.111 4.217 4.340 -0.020 0.000 0.210 139 L C 2.216 178.775 176.870 -0.519 0.000 1.076 139 L CA 2.151 56.767 54.840 -0.374 0.000 0.749 139 L CB -0.614 41.183 42.059 -0.438 0.000 0.893 139 L HN 0.202 nan 8.230 nan 0.000 0.432 140 A N -0.708 121.962 122.820 -0.250 0.000 1.933 140 A HA -0.147 4.161 4.320 -0.020 0.000 0.218 140 A C 2.427 180.066 177.584 0.093 0.000 1.175 140 A CA 1.786 53.744 52.037 -0.132 0.000 0.628 140 A CB -1.074 17.817 19.000 -0.181 0.000 0.814 140 A HN 0.564 nan 8.150 nan 0.000 0.444 141 A N -1.013 121.898 122.820 0.152 0.000 1.873 141 A HA -0.157 4.151 4.320 -0.020 0.000 0.215 141 A C 2.322 179.992 177.584 0.142 0.000 1.186 141 A CA 1.622 53.782 52.037 0.204 0.000 0.616 141 A CB -1.312 17.795 19.000 0.179 0.000 0.823 141 A HN 0.586 nan 8.150 nan 0.000 0.442 142 C N -1.469 117.909 119.300 0.130 0.000 2.413 142 C HA -0.086 4.362 4.460 -0.020 0.000 0.276 142 C C 2.444 177.597 174.990 0.271 0.000 1.248 142 C CA 0.714 59.846 59.018 0.190 0.000 1.742 142 C CB -1.635 26.235 27.740 0.215 0.000 2.017 142 C HN 0.601 nan 8.230 nan 0.000 0.481 143 F N 0.317 120.253 119.950 -0.023 0.000 2.171 143 F HA -0.076 4.439 4.527 -0.020 0.000 0.300 143 F C 2.115 177.861 175.800 -0.090 0.000 1.090 143 F CA 1.016 58.948 58.000 -0.113 0.000 1.293 143 F CB -1.310 37.477 39.000 -0.355 0.000 1.013 143 F HN 0.100 nan 8.300 nan 0.000 0.486 144 L N 0.315 121.627 121.223 0.149 0.000 2.017 144 L HA -0.222 4.106 4.340 -0.020 0.000 0.208 144 L C 2.401 179.292 176.870 0.035 0.000 1.073 144 L CA 1.862 56.748 54.840 0.076 0.000 0.745 144 L CB -1.199 40.914 42.059 0.089 0.000 0.894 144 L HN 0.168 nan 8.230 nan 0.000 0.432 145 D N -1.400 119.028 120.400 0.047 0.000 2.117 145 D HA -0.168 4.461 4.640 -0.020 0.000 0.197 145 D C 1.915 178.234 176.300 0.033 0.000 0.987 145 D CA 1.511 55.522 54.000 0.019 0.000 0.829 145 D CB 0.448 41.257 40.800 0.015 0.000 0.961 145 D HN 0.297 nan 8.370 nan 0.000 0.460 146 S N -0.153 115.584 115.700 0.061 0.000 2.368 146 S HA -0.059 4.399 4.470 -0.020 0.000 0.224 146 S C 2.131 176.746 174.600 0.025 0.000 1.029 146 S CA 0.726 58.954 58.200 0.046 0.000 0.988 146 S CB -0.101 63.134 63.200 0.058 0.000 0.838 146 S HN 0.338 nan 8.310 nan 0.000 0.462 147 M N 0.930 120.539 119.600 0.015 0.000 2.213 147 M HA -0.107 4.361 4.480 -0.020 0.000 0.263 147 M C 2.402 178.706 176.300 0.006 0.000 1.062 147 M CA 1.340 56.646 55.300 0.010 0.000 1.105 147 M CB -0.502 32.088 32.600 -0.017 0.000 1.385 147 M HN 0.398 nan 8.290 nan 0.000 0.417 148 A N -0.100 122.720 122.820 0.000 0.000 1.855 148 A HA -0.126 4.182 4.320 -0.020 0.000 0.215 148 A C 2.155 179.751 177.584 0.021 0.000 1.191 148 A CA 2.080 54.118 52.037 0.002 0.000 0.613 148 A CB -1.147 17.838 19.000 -0.024 0.000 0.829 148 A HN 0.409 nan 8.150 nan 0.000 0.442 149 T N -0.107 114.464 114.554 0.029 0.000 2.849 149 T HA -0.073 4.265 4.350 -0.020 0.000 0.270 149 T C 1.093 175.820 174.700 0.045 0.000 1.066 149 T CA 1.218 63.347 62.100 0.049 0.000 1.130 149 T CB -0.199 68.706 68.868 0.062 0.000 0.864 149 T HN 0.157 nan 8.240 nan 0.000 0.481 150 L N 0.495 121.742 121.223 0.039 0.000 2.685 150 L HA 0.396 4.724 4.340 -0.020 0.000 0.233 150 L C 1.596 178.496 176.870 0.050 0.000 1.173 150 L CA 0.157 55.022 54.840 0.042 0.000 0.961 150 L CB -0.716 41.369 42.059 0.042 0.000 1.217 150 L HN 0.353 nan 8.230 nan 0.000 0.478 151 G N 0.232 109.064 108.800 0.054 0.000 2.305 151 G HA2 -0.289 3.659 3.960 -0.020 0.000 0.287 151 G HA3 -0.289 3.659 3.960 -0.020 0.000 0.287 151 G C 0.286 175.238 174.900 0.086 0.000 1.036 151 G CA 0.304 45.453 45.100 0.082 0.000 0.887 151 G HN 0.308 nan 8.290 nan 0.000 0.505 152 L N -0.364 120.879 121.223 0.034 0.000 2.357 152 L HA 0.619 4.947 4.340 -0.020 0.000 0.273 152 L C 1.134 177.878 176.870 -0.210 0.000 1.080 152 L CA -0.447 54.365 54.840 -0.046 0.000 0.803 152 L CB 1.631 43.675 42.059 -0.026 0.000 1.174 152 L HN 0.244 nan 8.230 nan 0.000 0.443 153 A N 2.816 125.366 122.820 -0.450 0.000 2.915 153 A HA 0.578 4.887 4.320 -0.020 0.000 0.292 153 A C 0.229 177.451 177.584 -0.603 0.000 1.632 153 A CA -0.184 51.254 52.037 -0.998 0.000 1.337 153 A CB -0.583 17.767 19.000 -1.084 0.000 1.111 153 A HN 0.706 nan 8.150 nan 0.000 0.569 154 A N 1.748 124.252 122.820 -0.527 0.000 2.350 154 A HA 0.790 5.098 4.320 -0.020 0.000 0.324 154 A C -1.204 176.107 177.584 -0.455 0.000 1.118 154 A CA -0.455 51.351 52.037 -0.385 0.000 0.783 154 A CB 0.807 19.656 19.000 -0.252 0.000 1.236 154 A HN 0.609 nan 8.150 nan 0.000 0.457 155 Y N 0.496 120.745 120.300 -0.085 0.000 2.338 155 Y HA 0.531 5.069 4.550 -0.020 0.000 0.333 155 Y C 0.832 176.814 175.900 0.136 0.000 0.968 155 Y CA -0.701 57.416 58.100 0.028 0.000 1.123 155 Y CB 2.095 40.660 38.460 0.175 0.000 1.165 155 Y HN 0.830 nan 8.280 nan 0.000 0.452 156 G N 2.319 111.193 108.800 0.125 0.000 2.353 156 G HA2 0.406 4.354 3.960 -0.020 0.000 0.284 156 G HA3 0.406 4.354 3.960 -0.020 0.000 0.284 156 G C -1.642 173.280 174.900 0.037 0.000 1.172 156 G CA -0.192 45.026 45.100 0.198 0.000 0.854 156 G HN 0.519 nan 8.290 nan 0.000 0.485 157 Y N 1.204 121.733 120.300 0.381 0.000 2.338 157 Y HA 0.602 5.140 4.550 -0.020 0.000 0.333 157 Y C 0.730 176.921 175.900 0.484 0.000 0.968 157 Y CA 0.090 58.371 58.100 0.303 0.000 1.123 157 Y CB 2.535 41.191 38.460 0.326 0.000 1.165 157 Y HN 0.861 nan 8.280 nan 0.000 0.452 158 G N 2.401 111.522 108.800 0.535 0.000 2.871 158 G HA2 0.627 4.575 3.960 -0.020 0.000 0.282 158 G HA3 0.627 4.575 3.960 -0.020 0.000 0.282 158 G C -1.609 173.536 174.900 0.408 0.000 1.212 158 G CA -0.819 44.631 45.100 0.582 0.000 0.812 158 G HN 0.407 nan 8.290 nan 0.000 0.547 159 I N 0.515 121.224 120.570 0.231 0.000 2.441 159 I HA 0.425 4.583 4.170 -0.020 0.000 0.295 159 I C 0.210 176.254 176.117 -0.121 0.000 0.994 159 I CA -0.730 60.595 61.300 0.042 0.000 1.144 159 I CB 2.234 40.040 38.000 -0.324 0.000 1.314 159 I HN 0.386 nan 8.210 nan 0.000 0.445 160 R N 6.016 126.541 120.500 0.041 0.000 2.608 160 R HA 0.239 4.567 4.340 -0.020 0.000 0.277 160 R C -1.315 175.054 176.300 0.115 0.000 1.341 160 R CA -0.388 55.765 56.100 0.089 0.000 1.199 160 R CB -0.033 30.275 30.300 0.015 0.000 1.156 160 R HN 0.380 nan 8.270 nan 0.000 0.558 161 Y N 1.618 122.094 120.300 0.292 0.000 2.425 161 Y HA -0.050 4.488 4.550 -0.020 0.000 0.331 161 Y C 1.536 177.634 175.900 0.331 0.000 1.157 161 Y CA -0.004 58.260 58.100 0.274 0.000 1.372 161 Y CB 0.983 39.586 38.460 0.237 0.000 1.253 161 Y HN 0.612 nan 8.280 nan 0.000 0.536 162 E N 2.044 122.447 120.200 0.339 0.000 2.152 162 E HA -0.045 4.294 4.350 -0.020 0.000 0.192 162 E C -0.768 175.737 176.600 -0.159 0.000 0.983 162 E CA 0.676 57.072 56.400 -0.006 0.000 0.818 162 E CB 0.195 29.812 29.700 -0.138 0.000 0.758 162 E HN 0.495 nan 8.360 nan 0.000 0.467 163 F N -0.180 119.992 119.950 0.370 0.000 2.496 163 F HA 0.419 4.934 4.527 -0.020 0.000 0.341 163 F C 0.770 176.662 175.800 0.154 0.000 1.134 163 F CA -0.850 57.324 58.000 0.290 0.000 0.968 163 F CB 1.719 40.813 39.000 0.157 0.000 1.205 163 F HN -0.105 nan 8.300 nan 0.000 0.436 164 G N 1.957 110.874 108.800 0.195 0.000 2.485 164 G HA2 0.283 4.231 3.960 -0.020 0.000 0.260 164 G HA3 0.283 4.231 3.960 -0.020 0.000 0.260 164 G C -0.378 174.493 174.900 -0.050 0.000 1.459 164 G CA -0.606 44.453 45.100 -0.068 0.000 1.060 164 G HN 0.576 nan 8.290 nan 0.000 0.546 165 I N 0.636 121.109 120.570 -0.161 0.000 2.710 165 I HA 0.256 4.414 4.170 -0.020 0.000 0.286 165 I C 0.575 176.628 176.117 -0.106 0.000 1.181 165 I CA -0.984 60.214 61.300 -0.170 0.000 1.430 165 I CB -0.051 37.751 38.000 -0.329 0.000 1.367 165 I HN 0.359 nan 8.210 nan 0.000 0.577 166 F N 6.155 126.116 119.950 0.020 0.000 2.589 166 F HA 0.235 4.751 4.527 -0.020 0.000 0.352 166 F C 0.366 176.218 175.800 0.086 0.000 1.168 166 F CA -0.485 57.549 58.000 0.057 0.000 1.353 166 F CB -0.243 38.776 39.000 0.032 0.000 1.116 166 F HN 0.422 nan 8.300 nan 0.000 0.608 167 N N 2.748 121.600 118.700 0.253 0.000 2.422 167 N HA 0.051 4.779 4.740 -0.020 0.000 0.264 167 N C -0.778 174.932 175.510 0.334 0.000 1.063 167 N CA -0.278 52.886 53.050 0.189 0.000 0.959 167 N CB 1.179 39.784 38.487 0.197 0.000 1.087 167 N HN 0.754 nan 8.380 nan 0.000 0.483 168 Q N 2.414 122.375 119.800 0.268 0.000 2.267 168 Q HA 0.216 4.544 4.340 -0.020 0.000 0.255 168 Q C -0.947 175.223 176.000 0.283 0.000 0.923 168 Q CA -0.052 55.976 55.803 0.374 0.000 0.925 168 Q CB 0.808 29.756 28.738 0.349 0.000 1.195 168 Q HN 0.343 nan 8.270 nan 0.000 0.417 169 K N 3.233 123.785 120.400 0.253 0.000 2.385 169 K HA 0.508 4.816 4.320 -0.020 0.000 0.248 169 K C -1.036 175.669 176.600 0.174 0.000 0.955 169 K CA -0.893 55.517 56.287 0.206 0.000 0.816 169 K CB 1.548 34.148 32.500 0.168 0.000 1.250 169 K HN 0.517 nan 8.250 nan 0.000 0.434 170 I N 2.239 122.902 120.570 0.157 0.000 2.355 170 I HA 0.266 4.424 4.170 -0.020 0.000 0.288 170 I C -0.666 175.516 176.117 0.109 0.000 0.999 170 I CA -0.867 60.496 61.300 0.106 0.000 1.163 170 I CB 0.800 38.843 38.000 0.072 0.000 1.316 170 I HN 0.602 nan 8.210 nan 0.000 0.454 171 C N 3.834 123.208 119.300 0.124 0.000 2.346 171 C HA 0.620 5.068 4.460 -0.020 0.000 0.326 171 C C 1.119 176.221 174.990 0.187 0.000 1.224 171 C CA -0.382 58.712 59.018 0.126 0.000 1.408 171 C CB 0.644 28.445 27.740 0.102 0.000 2.089 171 C HN 1.090 nan 8.230 nan 0.000 0.456 172 G N 2.032 110.921 108.800 0.148 0.000 2.155 172 G HA2 0.111 4.059 3.960 -0.020 0.000 0.257 172 G HA3 0.111 4.059 3.960 -0.020 0.000 0.257 172 G C 1.071 176.049 174.900 0.130 0.000 0.983 172 G CA 1.057 46.271 45.100 0.190 0.000 0.676 172 G HN 2.426 nan 8.290 nan 0.000 0.528 173 G N -2.851 105.962 108.800 0.021 0.000 2.194 173 G HA2 -0.239 3.709 3.960 -0.020 0.000 0.236 173 G HA3 -0.239 3.709 3.960 -0.020 0.000 0.236 173 G C 0.315 175.034 174.900 -0.302 0.000 0.987 173 G CA 0.517 45.505 45.100 -0.186 0.000 0.635 173 G HN 1.174 nan 8.290 nan 0.000 0.520 174 W N 1.017 122.264 121.300 -0.088 0.000 2.509 174 W HA 0.691 5.339 4.660 -0.020 0.000 0.351 174 W C 0.632 177.093 176.519 -0.097 0.000 1.107 174 W CA -0.737 56.547 57.345 -0.103 0.000 1.264 174 W CB 0.697 30.116 29.460 -0.068 0.000 1.312 174 W HN 0.287 nan 8.180 nan 0.000 0.608 175 Q N 2.406 122.310 119.800 0.173 0.000 2.293 175 Q HA 0.404 4.732 4.340 -0.020 0.000 0.251 175 Q C -0.729 175.338 176.000 0.111 0.000 0.930 175 Q CA -0.052 55.819 55.803 0.114 0.000 0.893 175 Q CB 0.722 29.523 28.738 0.105 0.000 1.215 175 Q HN 0.338 nan 8.270 nan 0.000 0.425 176 M N 2.993 122.657 119.600 0.107 0.000 2.327 176 M HA 0.369 4.837 4.480 -0.020 0.000 0.298 176 M C -1.293 175.046 176.300 0.064 0.000 1.065 176 M CA -0.618 54.712 55.300 0.051 0.000 0.916 176 M CB 1.832 34.470 32.600 0.063 0.000 1.630 176 M HN 0.678 nan 8.290 nan 0.000 0.442 177 E N 1.341 121.502 120.200 -0.064 0.000 2.266 177 E HA 0.492 4.830 4.350 -0.020 0.000 0.277 177 E C -0.835 175.787 176.600 0.036 0.000 1.018 177 E CA -0.321 56.024 56.400 -0.093 0.000 0.840 177 E CB 1.649 31.000 29.700 -0.582 0.000 1.082 177 E HN 0.427 nan 8.360 nan 0.000 0.395 178 E N 0.852 121.160 120.200 0.180 0.000 2.275 178 E HA 0.503 4.841 4.350 -0.020 0.000 0.270 178 E C -1.272 175.436 176.600 0.180 0.000 0.882 178 E CA -1.032 55.452 56.400 0.141 0.000 0.758 178 E CB 1.559 31.353 29.700 0.156 0.000 1.195 178 E HN 0.629 nan 8.360 nan 0.000 0.419 179 A N 3.149 126.030 122.820 0.101 0.000 2.567 179 A HA -0.032 4.276 4.320 -0.020 0.000 0.240 179 A C 0.010 177.780 177.584 0.310 0.000 1.053 179 A CA 0.334 52.443 52.037 0.120 0.000 0.755 179 A CB 0.039 18.979 19.000 -0.100 0.000 0.978 179 A HN 0.619 nan 8.150 nan 0.000 0.507 180 D N 1.723 122.375 120.400 0.420 0.000 2.468 180 D HA 0.215 4.843 4.640 -0.020 0.000 0.218 180 D C -0.369 176.245 176.300 0.524 0.000 1.155 180 D CA -0.196 54.042 54.000 0.398 0.000 0.924 180 D CB 0.442 41.410 40.800 0.281 0.000 1.029 180 D HN 0.376 nan 8.370 nan 0.000 0.515 181 D N 4.012 124.661 120.400 0.416 0.000 2.994 181 D HA -0.010 4.618 4.640 -0.020 0.000 0.240 181 D C 1.137 177.526 176.300 0.149 0.000 1.195 181 D CA -0.532 53.598 54.000 0.215 0.000 0.957 181 D CB -0.208 40.716 40.800 0.207 0.000 1.105 181 D HN 0.570 nan 8.370 nan 0.000 0.477 182 W N 1.079 122.387 121.300 0.014 0.000 2.468 182 W HA -0.070 4.578 4.660 -0.020 0.000 0.262 182 W C -0.008 176.544 176.519 0.055 0.000 1.241 182 W CA 0.218 57.599 57.345 0.061 0.000 1.232 182 W CB -0.715 28.793 29.460 0.082 0.000 1.124 182 W HN 0.165 nan 8.180 nan 0.000 0.597 183 L N 1.109 121.945 121.223 -0.645 0.000 2.653 183 L HA 0.213 4.541 4.340 -0.020 0.000 0.231 183 L C 2.681 179.353 176.870 -0.329 0.000 1.153 183 L CA -0.149 54.294 54.840 -0.662 0.000 0.933 183 L CB -0.561 40.967 42.059 -0.885 0.000 1.175 183 L HN -0.104 nan 8.230 nan 0.000 0.473 184 R N 0.681 121.018 120.500 -0.273 0.000 2.103 184 R HA -0.207 4.121 4.340 -0.020 0.000 0.242 184 R C 1.006 177.051 176.300 -0.424 0.000 1.142 184 R CA 1.980 57.847 56.100 -0.387 0.000 0.960 184 R CB -0.073 29.889 30.300 -0.563 0.000 0.858 184 R HN 0.339 nan 8.270 nan 0.000 0.439 185 Y N -0.475 119.848 120.300 0.038 0.000 2.524 185 Y HA 0.366 4.904 4.550 -0.020 0.000 0.266 185 Y C 0.794 176.722 175.900 0.047 0.000 1.180 185 Y CA 0.257 58.381 58.100 0.040 0.000 1.244 185 Y CB 0.753 39.313 38.460 0.167 0.000 1.125 185 Y HN 0.369 nan 8.280 nan 0.000 0.524 186 G N 1.410 110.277 108.800 0.113 0.000 2.707 186 G HA2 -0.229 3.719 3.960 -0.020 0.000 0.686 186 G HA3 -0.229 3.719 3.960 -0.020 0.000 0.686 186 G C -1.204 173.800 174.900 0.173 0.000 1.315 186 G CA -0.809 44.345 45.100 0.091 0.000 0.832 186 G HN 0.294 nan 8.290 nan 0.000 0.573 187 N N 0.976 119.724 118.700 0.079 0.000 2.573 187 N HA 0.566 5.294 4.740 -0.020 0.000 0.262 187 N C -0.704 174.814 175.510 0.013 0.000 1.029 187 N CA -1.940 51.152 53.050 0.070 0.000 0.882 187 N CB 2.011 40.488 38.487 -0.017 0.000 1.204 187 N HN 0.243 nan 8.380 nan 0.000 0.519 188 P HA -0.008 nan 4.420 nan 0.000 0.230 188 P C 0.511 177.379 177.300 -0.719 0.000 1.158 188 P CA 0.797 63.539 63.100 -0.596 0.000 0.769 188 P CB 0.114 31.112 31.700 -1.170 0.000 0.807 189 W N 1.669 122.988 121.300 0.031 0.000 2.588 189 W HA 0.067 4.715 4.660 -0.019 0.000 0.277 189 W C 1.371 177.963 176.519 0.122 0.000 1.221 189 W CA -0.316 57.056 57.345 0.044 0.000 1.355 189 W CB -0.310 29.171 29.460 0.033 0.000 1.083 189 W HN -0.054 nan 8.180 nan 0.000 0.581 190 E N 1.889 122.288 120.200 0.331 0.000 2.374 190 E HA 0.262 4.600 4.350 -0.020 0.000 0.260 190 E C -0.516 176.267 176.600 0.306 0.000 1.101 190 E CA -0.425 56.181 56.400 0.344 0.000 0.907 190 E CB 1.094 31.009 29.700 0.359 0.000 1.014 190 E HN -0.334 nan 8.360 nan 0.000 0.427 191 K N 1.304 121.884 120.400 0.300 0.000 2.668 191 K HA 0.385 4.693 4.320 -0.020 0.000 0.246 191 K C -1.207 175.390 176.600 -0.006 0.000 0.976 191 K CA -0.361 56.014 56.287 0.147 0.000 0.902 191 K CB 1.414 33.986 32.500 0.121 0.000 1.172 191 K HN 0.688 nan 8.250 nan 0.000 0.452 192 A N 3.971 126.678 122.820 -0.189 0.000 2.520 192 A HA 0.352 4.660 4.320 -0.020 0.000 0.235 192 A C -0.353 177.051 177.584 -0.301 0.000 1.065 192 A CA 0.124 51.818 52.037 -0.571 0.000 0.764 192 A CB 0.230 18.788 19.000 -0.736 0.000 1.002 192 A HN 0.695 nan 8.150 nan 0.000 0.502 193 R N 2.907 123.244 120.500 -0.271 0.000 2.547 193 R HA 0.198 4.526 4.340 -0.020 0.000 0.280 193 R C -2.426 173.814 176.300 -0.100 0.000 1.630 193 R CA -1.470 54.537 56.100 -0.154 0.000 1.470 193 R CB 1.396 31.662 30.300 -0.057 0.000 1.178 193 R HN 0.576 nan 8.270 nan 0.000 0.591 194 P HA -0.243 nan 4.420 nan 0.000 0.216 194 P C 1.059 178.346 177.300 -0.021 0.000 1.153 194 P CA 1.427 64.496 63.100 -0.051 0.000 0.858 194 P CB 0.280 31.940 31.700 -0.066 0.000 0.789 195 E N -0.792 119.341 120.200 -0.112 0.000 2.401 195 E HA -0.159 4.179 4.350 -0.020 0.000 0.199 195 E C 0.813 177.379 176.600 -0.056 0.000 1.023 195 E CA 0.906 57.218 56.400 -0.147 0.000 0.859 195 E CB -0.803 28.715 29.700 -0.303 0.000 0.780 195 E HN 0.230 nan 8.360 nan 0.000 0.523 196 F N 1.709 121.689 119.950 0.050 0.000 2.639 196 F HA 0.250 4.765 4.527 -0.020 0.000 0.302 196 F C 0.334 176.260 175.800 0.210 0.000 1.097 196 F CA -0.846 57.222 58.000 0.113 0.000 1.294 196 F CB 0.051 39.110 39.000 0.098 0.000 1.027 196 F HN -0.273 nan 8.300 nan 0.000 0.550 197 T N 3.178 117.927 114.554 0.326 0.000 2.928 197 T HA 0.357 4.695 4.350 -0.020 0.000 0.305 197 T C 0.151 174.976 174.700 0.208 0.000 1.035 197 T CA 0.502 62.774 62.100 0.286 0.000 1.145 197 T CB 0.557 69.534 68.868 0.182 0.000 0.963 197 T HN -0.034 nan 8.240 nan 0.000 0.545 198 L N 5.162 126.460 121.223 0.126 0.000 2.371 198 L HA 0.554 4.882 4.340 -0.020 0.000 0.262 198 L C -2.323 174.497 176.870 -0.083 0.000 1.006 198 L CA -2.625 52.203 54.840 -0.020 0.000 0.818 198 L CB 2.635 44.593 42.059 -0.168 0.000 1.354 198 L HN 0.391 nan 8.230 nan 0.000 0.415 199 P HA 0.280 nan 4.420 nan 0.000 0.290 199 P C -1.181 175.995 177.300 -0.206 0.000 1.276 199 P CA -0.410 62.610 63.100 -0.135 0.000 0.808 199 P CB 2.037 33.666 31.700 -0.118 0.000 0.966 200 V N 4.601 124.373 119.914 -0.236 0.000 2.487 200 V HA 0.294 4.402 4.120 -0.020 0.000 0.298 200 V C -0.163 175.703 176.094 -0.381 0.000 1.028 200 V CA -0.533 61.614 62.300 -0.255 0.000 0.860 200 V CB 1.116 32.841 31.823 -0.162 0.000 0.991 200 V HN 0.580 nan 8.190 nan 0.000 0.427 201 H N 4.104 122.977 119.070 -0.328 0.000 2.472 201 H HA 0.759 5.303 4.556 -0.020 0.000 0.335 201 H C -0.953 174.030 175.328 -0.575 0.000 1.136 201 H CA -0.286 55.489 56.048 -0.454 0.000 1.264 201 H CB 1.153 30.416 29.762 -0.831 0.000 1.486 201 H HN 0.492 nan 8.280 nan 0.000 0.517 202 F N 0.235 120.219 119.950 0.056 0.000 2.629 202 F HA 0.309 4.824 4.527 -0.020 0.000 0.316 202 F C -0.177 175.717 175.800 0.157 0.000 1.081 202 F CA -0.897 57.149 58.000 0.077 0.000 0.954 202 F CB 0.748 39.715 39.000 -0.056 0.000 1.337 202 F HN 0.536 nan 8.300 nan 0.000 0.474 203 Y N 0.264 120.830 120.300 0.443 0.000 2.875 203 Y HA -0.037 4.501 4.550 -0.020 0.000 0.467 203 Y C 1.458 177.576 175.900 0.363 0.000 1.183 203 Y CA 0.927 59.216 58.100 0.314 0.000 2.568 203 Y CB -1.871 36.708 38.460 0.198 0.000 1.216 203 Y HN 1.286 nan 8.280 nan 0.000 0.629 204 G N 0.498 109.554 108.800 0.426 0.000 2.593 204 G HA2 0.095 4.043 3.960 -0.020 0.000 0.237 204 G HA3 0.095 4.043 3.960 -0.020 0.000 0.237 204 G C -0.510 174.591 174.900 0.335 0.000 1.312 204 G CA 0.976 46.245 45.100 0.281 0.000 0.896 204 G HN 1.345 nan 8.290 nan 0.000 0.574 205 R N -2.863 117.831 120.500 0.324 0.000 2.766 205 R HA 0.760 5.088 4.340 -0.020 0.000 0.270 205 R C -1.491 174.953 176.300 0.239 0.000 1.035 205 R CA -0.978 55.265 56.100 0.239 0.000 0.911 205 R CB 1.257 31.643 30.300 0.142 0.000 1.243 205 R HN 0.972 nan 8.270 nan 0.000 0.460 206 V N 1.165 121.132 119.914 0.088 0.000 2.495 206 V HA 0.381 4.489 4.120 -0.020 0.000 0.298 206 V C -0.550 175.483 176.094 -0.102 0.000 1.031 206 V CA -0.599 61.680 62.300 -0.034 0.000 0.871 206 V CB 1.432 33.157 31.823 -0.163 0.000 0.988 206 V HN 0.849 nan 8.190 nan 0.000 0.432 207 E N 3.876 123.990 120.200 -0.143 0.000 2.210 207 E HA 0.468 4.806 4.350 -0.020 0.000 0.266 207 E C -1.202 175.271 176.600 -0.212 0.000 0.883 207 E CA -0.877 55.457 56.400 -0.111 0.000 0.761 207 E CB 1.725 31.417 29.700 -0.014 0.000 1.156 207 E HN 0.692 nan 8.360 nan 0.000 0.412 208 H N 3.259 122.340 119.070 0.019 0.000 2.787 208 H HA 0.131 4.675 4.556 -0.020 0.000 0.275 208 H C 0.246 175.581 175.328 0.011 0.000 1.183 208 H CA -0.130 55.924 56.048 0.011 0.000 1.290 208 H CB 0.851 30.615 29.762 0.002 0.000 1.438 208 H HN 0.674 nan 8.280 nan 0.000 0.487 209 T N -0.508 114.093 114.554 0.078 0.000 2.816 209 T HA 0.037 4.375 4.350 -0.020 0.000 0.282 209 T C 1.887 176.621 174.700 0.057 0.000 0.993 209 T CA 0.001 62.134 62.100 0.054 0.000 0.994 209 T CB 1.643 70.528 68.868 0.029 0.000 1.025 209 T HN 0.512 nan 8.240 nan 0.000 0.529 210 S N 1.332 117.056 115.700 0.040 0.000 2.414 210 S HA -0.349 4.109 4.470 -0.020 0.000 0.238 210 S C 2.000 176.622 174.600 0.036 0.000 1.055 210 S CA 2.587 60.807 58.200 0.033 0.000 1.174 210 S CB -1.116 62.099 63.200 0.024 0.000 1.087 210 S HN 0.852 nan 8.310 nan 0.000 0.428 211 Q N 1.017 120.836 119.800 0.032 0.000 1.998 211 Q HA 0.065 4.393 4.340 -0.020 0.000 0.209 211 Q C 1.692 177.717 176.000 0.042 0.000 1.002 211 Q CA 1.590 57.411 55.803 0.032 0.000 0.858 211 Q CB -0.779 27.974 28.738 0.025 0.000 0.932 211 Q HN 0.752 nan 8.270 nan 0.000 0.416 212 G N -0.559 108.272 108.800 0.051 0.000 2.619 212 G HA2 0.517 4.465 3.960 -0.020 0.000 0.146 212 G HA3 0.517 4.465 3.960 -0.020 0.000 0.146 212 G C -1.807 173.144 174.900 0.085 0.000 1.192 212 G CA -0.212 44.933 45.100 0.076 0.000 1.063 212 G HN 0.468 nan 8.290 nan 0.000 0.538 213 A N -0.397 122.453 122.820 0.050 0.000 2.294 213 A HA 0.850 5.158 4.320 -0.020 0.000 0.330 213 A C -0.356 177.180 177.584 -0.080 0.000 1.133 213 A CA -0.355 51.631 52.037 -0.085 0.000 0.836 213 A CB 1.312 20.231 19.000 -0.134 0.000 1.190 213 A HN 0.488 nan 8.150 nan 0.000 0.492 214 K N 0.438 120.770 120.400 -0.114 0.000 2.513 214 K HA 0.219 4.527 4.320 -0.020 0.000 0.251 214 K C -2.078 174.553 176.600 0.051 0.000 0.939 214 K CA -0.414 55.860 56.287 -0.023 0.000 0.793 214 K CB 1.752 34.243 32.500 -0.016 0.000 1.241 214 K HN 0.714 nan 8.250 nan 0.000 0.431 215 W N 6.042 127.258 121.300 -0.141 0.000 2.357 215 W HA 0.311 4.959 4.660 -0.020 0.000 0.317 215 W C -0.662 175.799 176.519 -0.097 0.000 1.101 215 W CA -0.798 56.470 57.345 -0.127 0.000 1.380 215 W CB 0.075 29.444 29.460 -0.152 0.000 1.266 215 W HN 0.254 nan 8.180 nan 0.000 0.419 216 V N 2.923 122.899 119.914 0.104 0.000 3.103 216 V HA 0.601 4.709 4.120 -0.020 0.000 0.318 216 V C 0.242 176.321 176.094 -0.024 0.000 1.114 216 V CA -0.794 61.494 62.300 -0.021 0.000 1.020 216 V CB 1.882 33.714 31.823 0.015 0.000 1.085 216 V HN 0.452 nan 8.190 nan 0.000 0.446 217 D N 0.691 121.071 120.400 -0.032 0.000 2.800 217 D HA -0.141 4.487 4.640 -0.020 0.000 0.232 217 D C 0.398 176.698 176.300 -0.000 0.000 1.137 217 D CA 1.403 55.404 54.000 0.001 0.000 0.718 217 D CB -0.989 39.835 40.800 0.040 0.000 1.084 217 D HN 1.363 nan 8.370 nan 0.000 0.432 218 T N -2.374 112.133 114.554 -0.078 0.000 2.918 218 T HA 0.572 4.910 4.350 -0.020 0.000 0.283 218 T C 0.438 175.164 174.700 0.044 0.000 1.001 218 T CA -0.757 61.303 62.100 -0.066 0.000 1.041 218 T CB 1.902 70.548 68.868 -0.369 0.000 1.028 218 T HN 0.086 nan 8.240 nan 0.000 0.511 219 Q N 0.864 120.750 119.800 0.144 0.000 2.257 219 Q HA 0.558 4.886 4.340 -0.020 0.000 0.255 219 Q C -0.863 175.212 176.000 0.124 0.000 0.920 219 Q CA -0.791 55.110 55.803 0.163 0.000 0.927 219 Q CB 1.767 30.678 28.738 0.288 0.000 1.229 219 Q HN 0.516 nan 8.270 nan 0.000 0.433 220 V N 3.066 122.992 119.914 0.020 0.000 2.532 220 V HA 0.498 4.606 4.120 -0.020 0.000 0.295 220 V C -0.282 175.843 176.094 0.051 0.000 1.041 220 V CA -0.624 61.618 62.300 -0.096 0.000 0.926 220 V CB 1.858 33.553 31.823 -0.212 0.000 0.992 220 V HN 0.484 nan 8.190 nan 0.000 0.457 221 V N 5.161 125.135 119.914 0.101 0.000 2.686 221 V HA 0.465 4.573 4.120 -0.020 0.000 0.306 221 V C -0.344 175.854 176.094 0.173 0.000 1.065 221 V CA -0.553 61.860 62.300 0.188 0.000 0.894 221 V CB 1.919 33.948 31.823 0.342 0.000 1.004 221 V HN 0.631 nan 8.190 nan 0.000 0.424 222 L N 3.264 124.588 121.223 0.168 0.000 2.399 222 L HA 0.802 5.130 4.340 -0.020 0.000 0.266 222 L C 0.437 177.493 176.870 0.311 0.000 1.114 222 L CA -0.424 54.513 54.840 0.162 0.000 0.804 222 L CB 1.472 43.607 42.059 0.128 0.000 1.146 222 L HN 0.776 nan 8.230 nan 0.000 0.451 223 A N 4.286 127.227 122.820 0.201 0.000 2.323 223 A HA 0.553 4.861 4.320 -0.020 0.000 0.305 223 A C -0.569 177.296 177.584 0.468 0.000 1.275 223 A CA -0.451 51.739 52.037 0.255 0.000 0.804 223 A CB 0.930 19.616 19.000 -0.524 0.000 1.152 223 A HN 0.765 nan 8.150 nan 0.000 0.487 224 M N 5.926 125.856 119.600 0.550 0.000 2.113 224 M HA 0.428 4.896 4.480 -0.020 0.000 0.352 224 M C -2.532 174.077 176.300 0.514 0.000 1.170 224 M CA -2.086 53.493 55.300 0.464 0.000 1.053 224 M CB 1.810 34.605 32.600 0.326 0.000 1.601 224 M HN 0.351 nan 8.290 nan 0.000 0.459 225 P HA 0.218 nan 4.420 nan 0.000 0.285 225 P C -1.940 175.348 177.300 -0.020 0.000 1.259 225 P CA -0.021 63.026 63.100 -0.088 0.000 0.794 225 P CB 0.485 31.862 31.700 -0.538 0.000 0.940 226 Y N 1.016 121.272 120.300 -0.074 0.000 2.328 226 Y HA 0.311 4.849 4.550 -0.020 0.000 0.336 226 Y C 0.370 176.277 175.900 0.011 0.000 0.960 226 Y CA -0.291 57.819 58.100 0.016 0.000 1.134 226 Y CB 1.210 39.712 38.460 0.069 0.000 1.166 226 Y HN 0.239 nan 8.280 nan 0.000 0.464 227 D N 1.954 122.473 120.400 0.198 0.000 2.177 227 D HA 0.380 5.008 4.640 -0.020 0.000 0.247 227 D C -0.517 176.023 176.300 0.400 0.000 1.063 227 D CA -0.131 54.030 54.000 0.268 0.000 0.867 227 D CB 1.652 42.646 40.800 0.322 0.000 1.168 227 D HN 0.378 nan 8.370 nan 0.000 0.445 228 T N 3.085 117.793 114.554 0.256 0.000 2.824 228 T HA 0.477 4.815 4.350 -0.020 0.000 0.282 228 T C -2.553 172.044 174.700 -0.171 0.000 0.993 228 T CA -1.468 60.702 62.100 0.116 0.000 0.967 228 T CB 2.107 71.020 68.868 0.075 0.000 0.960 228 T HN 0.177 nan 8.240 nan 0.000 0.441 229 P HA 0.338 nan 4.420 nan 0.000 0.279 229 P C -0.855 176.124 177.300 -0.535 0.000 1.239 229 P CA -0.503 61.954 63.100 -1.073 0.000 0.789 229 P CB 1.150 31.899 31.700 -1.585 0.000 0.933 230 V N 3.194 122.850 119.914 -0.431 0.000 2.357 230 V HA 0.478 4.586 4.120 -0.020 0.000 0.281 230 V C -2.761 173.198 176.094 -0.224 0.000 1.015 230 V CA -2.747 59.392 62.300 -0.268 0.000 0.827 230 V CB 1.731 33.447 31.823 -0.178 0.000 1.018 230 V HN 0.381 nan 8.190 nan 0.000 0.432 231 P HA 0.365 nan 4.420 nan 0.000 0.286 231 P C 0.469 177.719 177.300 -0.083 0.000 1.269 231 P CA 0.451 63.463 63.100 -0.146 0.000 0.787 231 P CB 1.630 33.239 31.700 -0.151 0.000 0.920 232 G N 2.579 111.347 108.800 -0.053 0.000 2.651 232 G HA2 0.105 4.053 3.960 -0.020 0.000 0.260 232 G HA3 0.105 4.053 3.960 -0.020 0.000 0.260 232 G C -1.160 173.752 174.900 0.021 0.000 1.216 232 G CA -0.408 44.690 45.100 -0.002 0.000 0.913 232 G HN 0.472 nan 8.290 nan 0.000 0.535 233 Y N 1.418 121.679 120.300 -0.064 0.000 2.539 233 Y HA 0.229 4.767 4.550 -0.020 0.000 0.352 233 Y C 1.577 177.438 175.900 -0.064 0.000 1.004 233 Y CA -0.378 57.679 58.100 -0.072 0.000 1.278 233 Y CB 0.030 38.445 38.460 -0.075 0.000 1.136 233 Y HN 0.673 nan 8.280 nan 0.000 0.528 234 R N 2.622 122.805 120.500 -0.528 0.000 3.591 234 R HA -0.293 4.035 4.340 -0.020 0.000 0.268 234 R C -0.054 176.122 176.300 -0.207 0.000 1.102 234 R CA 1.034 56.880 56.100 -0.424 0.000 0.732 234 R CB -2.077 27.844 30.300 -0.632 0.000 1.117 234 R HN 0.774 nan 8.270 nan 0.000 0.472 235 N N 0.106 118.730 118.700 -0.127 0.000 2.187 235 N HA -0.015 4.713 4.740 -0.020 0.000 0.212 235 N C -0.090 175.376 175.510 -0.075 0.000 1.152 235 N CA -0.307 52.697 53.050 -0.075 0.000 0.872 235 N CB 0.185 38.652 38.487 -0.035 0.000 1.025 235 N HN 0.145 nan 8.380 nan 0.000 0.514 236 N N -0.570 118.080 118.700 -0.084 0.000 2.741 236 N HA -0.128 4.600 4.740 -0.020 0.000 0.250 236 N C -1.253 174.216 175.510 -0.068 0.000 1.115 236 N CA 0.497 53.505 53.050 -0.070 0.000 0.724 236 N CB -1.652 36.795 38.487 -0.066 0.000 1.090 236 N HN 0.210 nan 8.380 nan 0.000 0.558 237 V N 0.818 120.694 119.914 -0.062 0.000 2.435 237 V HA 0.536 4.644 4.120 -0.020 0.000 0.290 237 V C 0.435 176.496 176.094 -0.055 0.000 1.030 237 V CA -0.618 61.651 62.300 -0.051 0.000 0.881 237 V CB 2.308 34.122 31.823 -0.015 0.000 0.983 237 V HN -0.052 nan 8.190 nan 0.000 0.445 238 V N 5.220 125.105 119.914 -0.048 0.000 2.447 238 V HA 0.472 4.580 4.120 -0.020 0.000 0.292 238 V C -0.173 175.890 176.094 -0.051 0.000 1.021 238 V CA -0.789 61.446 62.300 -0.109 0.000 0.850 238 V CB 1.591 33.326 31.823 -0.146 0.000 1.005 238 V HN 0.840 nan 8.190 nan 0.000 0.426 239 N N 1.943 120.589 118.700 -0.089 0.000 2.491 239 N HA 0.623 5.351 4.740 -0.020 0.000 0.279 239 N C -0.123 175.350 175.510 -0.062 0.000 1.236 239 N CA -0.336 52.691 53.050 -0.038 0.000 0.982 239 N CB 1.435 39.873 38.487 -0.082 0.000 1.194 239 N HN 0.604 nan 8.380 nan 0.000 0.582 240 T N 0.685 115.227 114.554 -0.020 0.000 2.863 240 T HA 0.434 4.772 4.350 -0.020 0.000 0.285 240 T C -0.402 174.264 174.700 -0.056 0.000 1.009 240 T CA -0.522 61.624 62.100 0.076 0.000 0.989 240 T CB 1.183 70.229 68.868 0.297 0.000 1.004 240 T HN 0.293 nan 8.240 nan 0.000 0.455 241 M N 3.435 122.979 119.600 -0.094 0.000 2.072 241 M HA 0.506 4.974 4.480 -0.020 0.000 0.331 241 M C -0.622 175.555 176.300 -0.204 0.000 1.004 241 M CA -0.783 54.376 55.300 -0.234 0.000 0.952 241 M CB 0.787 33.202 32.600 -0.309 0.000 1.511 241 M HN 0.495 nan 8.290 nan 0.000 0.422 242 R N 5.885 126.172 120.500 -0.354 0.000 2.215 242 R HA 0.571 4.899 4.340 -0.020 0.000 0.336 242 R C -1.871 174.205 176.300 -0.373 0.000 0.996 242 R CA -0.360 55.502 56.100 -0.398 0.000 0.847 242 R CB 0.709 30.608 30.300 -0.668 0.000 1.127 242 R HN 0.794 nan 8.270 nan 0.000 0.465 243 L N 5.365 126.464 121.223 -0.206 0.000 2.296 243 L HA 0.458 4.786 4.340 -0.020 0.000 0.286 243 L C -0.630 176.239 176.870 -0.003 0.000 1.023 243 L CA -0.871 53.933 54.840 -0.060 0.000 0.812 243 L CB 1.189 43.284 42.059 0.060 0.000 1.223 243 L HN 0.573 nan 8.230 nan 0.000 0.421 244 W N 2.180 123.613 121.300 0.221 0.000 2.272 244 W HA 0.399 5.047 4.660 -0.020 0.000 0.318 244 W C 0.618 177.376 176.519 0.399 0.000 1.255 244 W CA -0.080 57.414 57.345 0.249 0.000 1.200 244 W CB 1.245 30.702 29.460 -0.005 0.000 1.170 244 W HN 0.355 nan 8.180 nan 0.000 0.549 245 S N 1.635 117.768 115.700 0.722 0.000 2.500 245 S HA 0.742 5.200 4.470 -0.020 0.000 0.301 245 S C -0.494 174.464 174.600 0.597 0.000 1.092 245 S CA -0.748 57.770 58.200 0.530 0.000 1.030 245 S CB 0.719 64.168 63.200 0.416 0.000 1.031 245 S HN 0.503 nan 8.310 nan 0.000 0.483 246 A N 4.856 127.850 122.820 0.291 0.000 2.362 246 A HA 0.641 4.949 4.320 -0.020 0.000 0.276 246 A C -0.276 177.397 177.584 0.148 0.000 1.153 246 A CA -0.285 51.827 52.037 0.124 0.000 0.813 246 A CB 0.280 19.091 19.000 -0.315 0.000 1.081 246 A HN 0.625 nan 8.150 nan 0.000 0.507 247 K N 1.465 121.975 120.400 0.184 0.000 2.378 247 K HA 0.609 4.917 4.320 -0.020 0.000 0.252 247 K C -0.219 176.443 176.600 0.103 0.000 0.931 247 K CA -0.443 55.926 56.287 0.137 0.000 0.794 247 K CB 2.240 34.835 32.500 0.158 0.000 1.181 247 K HN 0.796 nan 8.250 nan 0.000 0.425 248 A N 4.080 126.941 122.820 0.068 0.000 2.445 248 A HA 0.390 4.698 4.320 -0.020 0.000 0.242 248 A C -1.902 175.714 177.584 0.053 0.000 1.075 248 A CA -0.706 51.362 52.037 0.050 0.000 0.777 248 A CB -0.496 18.522 19.000 0.030 0.000 1.013 248 A HN 0.405 nan 8.150 nan 0.000 0.493 249 P HA 0.196 nan 4.420 nan 0.000 0.277 249 P C -0.781 176.538 177.300 0.032 0.000 1.271 249 P CA -0.480 62.641 63.100 0.035 0.000 0.795 249 P CB 0.583 32.296 31.700 0.021 0.000 1.101 261 G N -0.958 107.859 108.800 0.029 0.000 2.619 261 G HA2 0.086 4.034 3.960 -0.020 0.000 0.686 261 G HA3 0.086 4.034 3.960 -0.020 0.000 0.686 261 G C 0.194 175.138 174.900 0.074 0.000 1.256 261 G CA 0.121 45.256 45.100 0.059 0.000 0.826 261 G HN 1.127 nan 8.290 nan 0.000 0.619 262 Y N 1.030 121.331 120.300 0.002 0.000 2.097 262 Y HA -0.150 4.388 4.550 -0.020 0.000 0.282 262 Y C 2.799 178.701 175.900 0.003 0.000 1.152 262 Y CA 2.625 60.727 58.100 0.003 0.000 1.136 262 Y CB -0.141 38.321 38.460 0.002 0.000 0.975 262 Y HN 0.485 nan 8.280 nan 0.000 0.498 263 I N 0.482 120.969 120.570 -0.139 0.000 2.091 263 I HA -0.336 3.822 4.170 -0.020 0.000 0.239 263 I C 2.436 178.432 176.117 -0.201 0.000 1.061 263 I CA 1.948 63.111 61.300 -0.228 0.000 1.317 263 I CB -1.611 36.369 38.000 -0.034 0.000 1.031 263 I HN 0.323 nan 8.210 nan 0.000 0.401 264 Q N 0.976 120.716 119.800 -0.101 0.000 2.197 264 Q HA -0.148 4.180 4.340 -0.020 0.000 0.207 264 Q C 2.158 178.101 176.000 -0.095 0.000 0.984 264 Q CA 2.232 57.989 55.803 -0.076 0.000 0.869 264 Q CB -0.413 28.302 28.738 -0.038 0.000 0.906 264 Q HN 0.509 nan 8.270 nan 0.000 0.426 265 A N -1.086 121.662 122.820 -0.119 0.000 1.969 265 A HA -0.087 4.221 4.320 -0.020 0.000 0.218 265 A C 2.201 179.700 177.584 -0.141 0.000 1.169 265 A CA 1.482 53.456 52.037 -0.105 0.000 0.635 265 A CB -0.465 18.490 19.000 -0.075 0.000 0.810 265 A HN 0.259 nan 8.150 nan 0.000 0.445 266 V N -0.030 119.735 119.914 -0.248 0.000 2.488 266 V HA -0.141 3.967 4.120 -0.020 0.000 0.246 266 V C 2.423 178.440 176.094 -0.128 0.000 1.046 266 V CA 1.410 63.578 62.300 -0.220 0.000 1.053 266 V CB -0.551 31.057 31.823 -0.358 0.000 0.679 266 V HN 0.553 nan 8.190 nan 0.000 0.458 267 L N -0.228 120.924 121.223 -0.119 0.000 2.201 267 L HA -0.125 4.203 4.340 -0.020 0.000 0.212 267 L C 1.916 178.757 176.870 -0.049 0.000 1.105 267 L CA 1.192 55.989 54.840 -0.070 0.000 0.775 267 L CB -0.568 41.455 42.059 -0.061 0.000 0.913 267 L HN 0.335 nan 8.230 nan 0.000 0.440 268 D N -0.075 120.293 120.400 -0.054 0.000 2.371 268 D HA -0.070 4.558 4.640 -0.020 0.000 0.221 268 D C 2.100 178.384 176.300 -0.027 0.000 0.986 268 D CA 0.466 54.444 54.000 -0.037 0.000 0.899 268 D CB 0.043 40.821 40.800 -0.036 0.000 0.902 268 D HN 0.161 nan 8.370 nan 0.000 0.530 269 R N 0.264 120.747 120.500 -0.029 0.000 2.189 269 R HA -0.021 4.307 4.340 -0.020 0.000 0.223 269 R C 1.469 177.766 176.300 -0.005 0.000 1.092 269 R CA 0.519 56.611 56.100 -0.014 0.000 0.989 269 R CB 0.018 30.311 30.300 -0.012 0.000 0.876 269 R HN 0.118 nan 8.270 nan 0.000 0.457 270 N N 0.702 119.398 118.700 -0.008 0.000 2.223 270 N HA -0.137 4.591 4.740 -0.020 0.000 0.185 270 N C 1.661 177.168 175.510 -0.003 0.000 1.016 270 N CA 0.961 54.012 53.050 0.001 0.000 0.863 270 N CB -0.115 38.373 38.487 0.001 0.000 0.983 270 N HN 0.231 nan 8.380 nan 0.000 0.429 271 L N 0.420 121.636 121.223 -0.012 0.000 2.017 271 L HA -0.124 4.204 4.340 -0.020 0.000 0.208 271 L C 2.283 179.135 176.870 -0.031 0.000 1.073 271 L CA 1.436 56.266 54.840 -0.018 0.000 0.745 271 L CB -0.659 41.389 42.059 -0.018 0.000 0.894 271 L HN 0.152 nan 8.230 nan 0.000 0.432 272 A N -0.289 122.515 122.820 -0.028 0.000 1.968 272 A HA -0.150 4.158 4.320 -0.020 0.000 0.217 272 A C 1.986 179.534 177.584 -0.060 0.000 1.169 272 A CA 1.082 53.093 52.037 -0.043 0.000 0.638 272 A CB -0.296 18.701 19.000 -0.005 0.000 0.812 272 A HN 0.467 nan 8.150 nan 0.000 0.446 273 E N -0.067 120.116 120.200 -0.028 0.000 2.481 273 E HA -0.043 4.295 4.350 -0.020 0.000 0.195 273 E C 0.938 177.523 176.600 -0.024 0.000 1.047 273 E CA -0.006 56.382 56.400 -0.021 0.000 0.867 273 E CB -0.069 29.643 29.700 0.021 0.000 0.858 273 E HN 0.428 nan 8.360 nan 0.000 0.513 274 N N 0.991 119.676 118.700 -0.025 0.000 2.453 274 N HA -0.059 4.669 4.740 -0.020 0.000 0.183 274 N C 1.565 177.066 175.510 -0.014 0.000 1.041 274 N CA 0.525 53.576 53.050 0.003 0.000 0.900 274 N CB 0.023 38.510 38.487 -0.000 0.000 0.961 274 N HN 0.243 nan 8.380 nan 0.000 0.443 275 I N 0.314 120.819 120.570 -0.109 0.000 2.151 275 I HA -0.274 3.884 4.170 -0.020 0.000 0.243 275 I C 1.340 177.405 176.117 -0.087 0.000 1.080 275 I CA 1.333 62.530 61.300 -0.171 0.000 1.339 275 I CB -0.275 37.463 38.000 -0.437 0.000 1.039 275 I HN 0.148 nan 8.210 nan 0.000 0.409 276 S N -0.223 115.414 115.700 -0.105 0.000 2.618 276 S HA 0.186 4.644 4.470 -0.020 0.000 0.242 276 S C 1.362 176.090 174.600 0.214 0.000 0.972 276 S CA -0.513 57.716 58.200 0.049 0.000 1.004 276 S CB 0.200 63.410 63.200 0.017 0.000 0.778 276 S HN 0.258 nan 8.310 nan 0.000 0.459 277 R N 1.155 121.790 120.500 0.226 0.000 2.055 277 R HA 0.181 4.509 4.340 -0.020 0.000 0.226 277 R C 0.090 176.648 176.300 0.429 0.000 1.135 277 R CA 1.309 57.591 56.100 0.304 0.000 0.959 277 R CB 0.040 30.471 30.300 0.218 0.000 0.854 277 R HN 0.467 nan 8.270 nan 0.000 0.431 278 V N 0.625 120.717 119.914 0.296 0.000 2.789 278 V HA 0.349 4.457 4.120 -0.020 0.000 0.311 278 V C -0.874 175.156 176.094 -0.106 0.000 1.073 278 V CA -1.467 60.919 62.300 0.143 0.000 0.921 278 V CB 1.701 33.500 31.823 -0.039 0.000 1.009 278 V HN 0.072 nan 8.190 nan 0.000 0.426 279 L N 3.407 124.348 121.223 -0.471 0.000 2.367 279 L HA 0.483 4.811 4.340 -0.020 0.000 0.275 279 L C -0.565 176.137 176.870 -0.281 0.000 1.129 279 L CA 0.224 54.562 54.840 -0.837 0.000 0.839 279 L CB 0.104 41.602 42.059 -0.935 0.000 1.133 279 L HN 0.638 nan 8.230 nan 0.000 0.453 280 Y N 6.877 127.090 120.300 -0.144 0.000 2.544 280 Y HA 0.202 4.740 4.550 -0.020 0.000 0.330 280 Y C -1.354 174.538 175.900 -0.013 0.000 1.136 280 Y CA -1.190 56.893 58.100 -0.028 0.000 1.417 280 Y CB 0.428 38.893 38.460 0.008 0.000 1.229 280 Y HN 0.586 nan 8.280 nan 0.000 0.532 281 P HA -0.016 nan 4.420 nan 0.000 0.259 281 P C -1.084 176.349 177.300 0.222 0.000 1.480 281 P CA 0.219 63.429 63.100 0.184 0.000 0.842 281 P CB -0.251 31.637 31.700 0.313 0.000 1.513 282 N N 0.882 119.721 118.700 0.232 0.000 2.419 282 N HA 0.238 4.966 4.740 -0.020 0.000 0.264 282 N C -0.736 174.928 175.510 0.256 0.000 1.031 282 N CA -0.396 52.817 53.050 0.272 0.000 0.951 282 N CB 0.703 39.376 38.487 0.311 0.000 1.101 282 N HN -0.003 nan 8.380 nan 0.000 0.488 283 D N 1.411 121.995 120.400 0.307 0.000 2.344 283 D HA 0.223 4.851 4.640 -0.020 0.000 0.239 283 D C -0.591 176.000 176.300 0.486 0.000 1.064 283 D CA -0.472 53.739 54.000 0.351 0.000 0.829 283 D CB 0.452 41.476 40.800 0.373 0.000 1.129 283 D HN 0.387 nan 8.370 nan 0.000 0.506 284 N N 2.894 121.809 118.700 0.358 0.000 2.725 284 N HA -0.249 4.479 4.740 -0.020 0.000 0.251 284 N C -1.355 174.406 175.510 0.419 0.000 1.031 284 N CA 0.790 54.021 53.050 0.301 0.000 0.720 284 N CB -0.856 37.725 38.487 0.158 0.000 0.930 284 N HN 0.380 nan 8.380 nan 0.000 0.543 285 F N 0.526 120.583 119.950 0.179 0.000 2.639 285 F HA 0.419 4.934 4.527 -0.020 0.000 0.320 285 F C -1.525 174.351 175.800 0.126 0.000 1.128 285 F CA -1.225 56.848 58.000 0.122 0.000 1.037 285 F CB 0.783 39.818 39.000 0.057 0.000 1.288 285 F HN -0.059 nan 8.300 nan 0.000 0.463 286 F N 6.015 125.486 119.950 -0.799 0.000 2.410 286 F HA 0.507 5.022 4.527 -0.020 0.000 0.349 286 F C -0.481 174.793 175.800 -0.877 0.000 1.117 286 F CA -0.258 57.339 58.000 -0.672 0.000 1.104 286 F CB 0.839 39.530 39.000 -0.515 0.000 1.122 286 F HN 0.587 nan 8.300 nan 0.000 0.483 287 E N 3.929 123.350 120.200 -1.299 0.000 2.185 287 E HA 0.382 4.720 4.350 -0.020 0.000 0.261 287 E C -0.163 175.608 176.600 -1.382 0.000 0.879 287 E CA -0.727 55.061 56.400 -1.020 0.000 0.756 287 E CB 1.199 30.672 29.700 -0.378 0.000 1.152 287 E HN 0.918 nan 8.360 nan 0.000 0.416 288 G N 5.294 113.326 108.800 -1.279 0.000 3.316 288 G HA2 0.037 3.985 3.960 -0.020 0.000 0.255 288 G HA3 0.037 3.985 3.960 -0.020 0.000 0.255 288 G C -0.055 174.777 174.900 -0.113 0.000 0.880 288 G CA -0.260 44.329 45.100 -0.851 0.000 1.956 288 G HN 0.212 nan 8.290 nan 0.000 0.634 289 K N 0.659 121.000 120.400 -0.098 0.000 2.201 289 K HA 0.138 4.446 4.320 -0.020 0.000 0.278 289 K C 0.981 177.666 176.600 0.142 0.000 1.027 289 K CA -0.505 55.804 56.287 0.037 0.000 0.909 289 K CB 2.216 34.714 32.500 -0.003 0.000 1.062 289 K HN 0.490 nan 8.250 nan 0.000 0.465 290 E N 2.198 122.470 120.200 0.120 0.000 2.118 290 E HA -0.217 4.121 4.350 -0.020 0.000 0.195 290 E C 1.461 178.066 176.600 0.009 0.000 0.992 290 E CA 0.963 57.388 56.400 0.041 0.000 0.804 290 E CB 0.173 29.905 29.700 0.053 0.000 0.741 290 E HN 0.421 nan 8.360 nan 0.000 0.458 291 L N 1.199 122.471 121.223 0.082 0.000 2.131 291 L HA -0.142 4.186 4.340 -0.020 0.000 0.210 291 L C 2.364 179.319 176.870 0.141 0.000 1.092 291 L CA 1.718 56.627 54.840 0.116 0.000 0.759 291 L CB -0.433 41.760 42.059 0.223 0.000 0.903 291 L HN 0.005 nan 8.230 nan 0.000 0.435 292 R N -0.605 119.925 120.500 0.049 0.000 2.073 292 R HA -0.115 4.213 4.340 -0.020 0.000 0.229 292 R C 2.080 178.417 176.300 0.061 0.000 1.120 292 R CA 1.680 57.767 56.100 -0.022 0.000 0.967 292 R CB -0.977 29.080 30.300 -0.405 0.000 0.862 292 R HN 0.394 nan 8.270 nan 0.000 0.436 293 L N 0.964 122.129 121.223 -0.097 0.000 2.083 293 L HA -0.076 4.252 4.340 -0.020 0.000 0.209 293 L C 1.615 178.423 176.870 -0.104 0.000 1.083 293 L CA 1.899 56.488 54.840 -0.418 0.000 0.752 293 L CB -0.381 41.115 42.059 -0.937 0.000 0.899 293 L HN 0.168 nan 8.230 nan 0.000 0.433 294 K N -1.040 119.351 120.400 -0.016 0.000 2.057 294 K HA -0.164 4.144 4.320 -0.020 0.000 0.206 294 K C 2.074 178.831 176.600 0.261 0.000 1.050 294 K CA 1.670 58.027 56.287 0.116 0.000 0.935 294 K CB -0.175 32.223 32.500 -0.170 0.000 0.715 294 K HN 0.497 nan 8.250 nan 0.000 0.439 295 Q N 0.689 120.606 119.800 0.195 0.000 2.096 295 Q HA -0.200 4.128 4.340 -0.020 0.000 0.204 295 Q C 1.941 178.133 176.000 0.319 0.000 0.982 295 Q CA 1.489 57.458 55.803 0.277 0.000 0.850 295 Q CB -0.046 28.878 28.738 0.310 0.000 0.901 295 Q HN 0.387 nan 8.270 nan 0.000 0.422 296 E N -0.141 120.205 120.200 0.243 0.000 2.051 296 E HA -0.207 4.131 4.350 -0.020 0.000 0.192 296 E C 1.756 178.467 176.600 0.185 0.000 0.991 296 E CA 1.001 57.529 56.400 0.213 0.000 0.799 296 E CB -0.150 29.660 29.700 0.183 0.000 0.748 296 E HN 0.316 nan 8.360 nan 0.000 0.449 297 Y N 0.427 120.766 120.300 0.066 0.000 2.242 297 Y HA -0.214 4.324 4.550 -0.020 0.000 0.291 297 Y C 1.932 177.862 175.900 0.049 0.000 1.137 297 Y CA 0.986 59.076 58.100 -0.017 0.000 1.181 297 Y CB -0.361 38.055 38.460 -0.075 0.000 0.989 297 Y HN 0.022 nan 8.280 nan 0.000 0.527 298 F N -0.357 119.568 119.950 -0.041 0.000 2.069 298 F HA -0.229 4.286 4.527 -0.020 0.000 0.298 298 F C 2.519 178.166 175.800 -0.255 0.000 1.113 298 F CA 2.046 59.980 58.000 -0.110 0.000 1.214 298 F CB -1.044 38.039 39.000 0.139 0.000 0.978 298 F HN -0.077 nan 8.300 nan 0.000 0.474 299 V N -0.432 119.449 119.914 -0.056 0.000 2.427 299 V HA -0.181 3.927 4.120 -0.020 0.000 0.248 299 V C 2.101 178.052 176.094 -0.237 0.000 1.051 299 V CA 1.938 64.176 62.300 -0.104 0.000 1.048 299 V CB -0.408 31.548 31.823 0.221 0.000 0.666 299 V HN 0.260 nan 8.190 nan 0.000 0.456 300 V N 0.533 120.307 119.914 -0.233 0.000 2.270 300 V HA -0.135 3.973 4.120 -0.020 0.000 0.245 300 V C 2.871 178.708 176.094 -0.428 0.000 1.043 300 V CA 2.080 64.229 62.300 -0.252 0.000 1.014 300 V CB -1.130 30.605 31.823 -0.146 0.000 0.645 300 V HN 0.645 nan 8.190 nan 0.000 0.447 301 A N -0.015 122.385 122.820 -0.701 0.000 1.883 301 A HA -0.163 4.145 4.320 -0.020 0.000 0.217 301 A C 2.402 179.611 177.584 -0.626 0.000 1.186 301 A CA 2.343 53.966 52.037 -0.690 0.000 0.624 301 A CB -0.888 17.501 19.000 -1.018 0.000 0.822 301 A HN 0.577 nan 8.150 nan 0.000 0.444 302 A N -1.247 121.027 122.820 -0.909 0.000 1.898 302 A HA -0.058 4.250 4.320 -0.020 0.000 0.216 302 A C 2.314 179.413 177.584 -0.809 0.000 1.181 302 A CA 2.265 53.578 52.037 -1.207 0.000 0.620 302 A CB -1.299 16.264 19.000 -2.395 0.000 0.819 302 A HN 0.432 nan 8.150 nan 0.000 0.442 303 T N 0.444 114.654 114.554 -0.575 0.000 2.684 303 T HA -0.121 4.217 4.350 -0.020 0.000 0.267 303 T C 1.815 176.234 174.700 -0.469 0.000 1.036 303 T CA 1.533 63.409 62.100 -0.373 0.000 1.148 303 T CB -0.389 68.266 68.868 -0.356 0.000 0.863 303 T HN 0.340 nan 8.240 nan 0.000 0.436 304 L N 0.567 121.567 121.223 -0.371 0.000 2.131 304 L HA -0.146 4.182 4.340 -0.020 0.000 0.210 304 L C 2.903 179.644 176.870 -0.215 0.000 1.092 304 L CA 1.327 56.000 54.840 -0.278 0.000 0.759 304 L CB -0.431 41.505 42.059 -0.205 0.000 0.903 304 L HN 0.353 nan 8.230 nan 0.000 0.435 305 Q N -0.623 119.044 119.800 -0.221 0.000 2.046 305 Q HA -0.252 4.076 4.340 -0.020 0.000 0.200 305 Q C 1.791 177.728 176.000 -0.106 0.000 0.975 305 Q CA 1.795 57.514 55.803 -0.140 0.000 0.836 305 Q CB -0.096 28.545 28.738 -0.162 0.000 0.896 305 Q HN 0.374 nan 8.270 nan 0.000 0.428 306 D N 0.431 120.757 120.400 -0.125 0.000 2.144 306 D HA -0.108 4.520 4.640 -0.020 0.000 0.199 306 D C 1.606 177.802 176.300 -0.173 0.000 0.984 306 D CA 0.856 54.797 54.000 -0.099 0.000 0.834 306 D CB 0.001 40.860 40.800 0.099 0.000 0.955 306 D HN 0.172 nan 8.370 nan 0.000 0.465 307 I N 0.001 120.389 120.570 -0.303 0.000 2.252 307 I HA -0.200 3.958 4.170 -0.020 0.000 0.245 307 I C 2.243 178.352 176.117 -0.013 0.000 1.102 307 I CA 0.672 61.748 61.300 -0.373 0.000 1.385 307 I CB -0.056 37.558 38.000 -0.642 0.000 1.064 307 I HN 0.045 nan 8.210 nan 0.000 0.414 308 I N 0.303 120.921 120.570 0.080 0.000 2.394 308 I HA -0.258 3.900 4.170 -0.020 0.000 0.251 308 I C 2.739 179.012 176.117 0.259 0.000 1.136 308 I CA 0.935 62.403 61.300 0.281 0.000 1.425 308 I CB -0.403 37.716 38.000 0.199 0.000 1.079 308 I HN 0.230 nan 8.210 nan 0.000 0.425 309 R N 1.526 122.092 120.500 0.111 0.000 2.070 309 R HA -0.213 4.115 4.340 -0.020 0.000 0.233 309 R C 2.474 178.833 176.300 0.099 0.000 1.137 309 R CA 1.707 57.858 56.100 0.085 0.000 0.945 309 R CB -0.365 29.937 30.300 0.004 0.000 0.845 309 R HN 0.178 nan 8.270 nan 0.000 0.430 310 R N -0.522 120.019 120.500 0.067 0.000 2.127 310 R HA -0.184 4.144 4.340 -0.020 0.000 0.238 310 R C 2.176 178.572 176.300 0.159 0.000 1.134 310 R CA 1.790 57.948 56.100 0.096 0.000 0.975 310 R CB -0.382 29.950 30.300 0.053 0.000 0.865 310 R HN 0.347 nan 8.270 nan 0.000 0.447 311 F N 1.310 121.290 119.950 0.050 0.000 2.113 311 F HA -0.094 4.421 4.527 -0.020 0.000 0.297 311 F C 1.777 177.589 175.800 0.021 0.000 1.103 311 F CA 1.451 59.476 58.000 0.042 0.000 1.248 311 F CB -0.064 39.014 39.000 0.130 0.000 0.999 311 F HN -0.161 nan 8.300 nan 0.000 0.475 312 K N -0.023 120.373 120.400 -0.006 0.000 2.097 312 K HA -0.048 4.260 4.320 -0.020 0.000 0.206 312 K C 0.714 177.240 176.600 -0.125 0.000 1.049 312 K CA 1.190 57.384 56.287 -0.154 0.000 0.933 312 K CB -0.394 32.131 32.500 0.042 0.000 0.717 312 K HN 0.110 nan 8.250 nan 0.000 0.442 313 S N 1.882 117.576 115.700 -0.010 0.000 3.363 313 S HA 0.130 4.588 4.470 -0.020 0.000 0.267 313 S C -0.389 174.260 174.600 0.082 0.000 1.288 313 S CA -0.252 57.986 58.200 0.063 0.000 0.948 313 S CB 0.364 63.644 63.200 0.133 0.000 1.397 313 S HN 0.380 nan 8.310 nan 0.000 0.493 326 F N 2.154 122.242 119.950 0.230 0.000 2.604 326 F HA 0.062 4.577 4.527 -0.020 0.000 0.298 326 F C 1.740 177.623 175.800 0.138 0.000 1.131 326 F CA 0.628 58.727 58.000 0.164 0.000 1.457 326 F CB -0.136 38.841 39.000 -0.038 0.000 1.095 326 F HN 0.294 nan 8.300 nan 0.000 0.574 327 D N 0.404 120.949 120.400 0.241 0.000 2.123 327 D HA -0.187 4.441 4.640 -0.020 0.000 0.196 327 D C 2.284 178.686 176.300 0.170 0.000 0.992 327 D CA 1.486 55.587 54.000 0.167 0.000 0.833 327 D CB -0.368 40.503 40.800 0.118 0.000 0.954 327 D HN 0.240 nan 8.370 nan 0.000 0.455 328 A N -0.573 122.370 122.820 0.206 0.000 2.206 328 A HA -0.019 4.289 4.320 -0.020 0.000 0.211 328 A C 1.779 179.509 177.584 0.243 0.000 1.158 328 A CA -0.012 52.148 52.037 0.204 0.000 0.761 328 A CB -0.755 18.363 19.000 0.196 0.000 0.801 328 A HN 0.152 nan 8.150 nan 0.000 0.473 329 F N 1.861 121.829 119.950 0.030 0.000 2.063 329 F HA -0.157 4.358 4.527 -0.020 0.000 0.298 329 F C -0.685 175.066 175.800 -0.082 0.000 1.109 329 F CA 2.537 60.391 58.000 -0.243 0.000 1.212 329 F CB -0.944 37.873 39.000 -0.305 0.000 0.973 329 F HN 0.201 nan 8.300 nan 0.000 0.480 330 P HA -0.113 nan 4.420 nan 0.000 0.222 330 P C 0.792 178.065 177.300 -0.045 0.000 1.147 330 P CA 1.663 64.756 63.100 -0.012 0.000 0.790 330 P CB -0.135 31.577 31.700 0.019 0.000 0.780 331 D N -0.635 119.758 120.400 -0.012 0.000 2.317 331 D HA -0.036 4.592 4.640 -0.020 0.000 0.211 331 D C 1.423 177.712 176.300 -0.018 0.000 0.966 331 D CA 0.871 54.869 54.000 -0.003 0.000 0.876 331 D CB 0.017 40.832 40.800 0.024 0.000 0.927 331 D HN 0.305 nan 8.370 nan 0.000 0.519 332 K N 0.072 120.441 120.400 -0.053 0.000 2.380 332 K HA 0.200 4.508 4.320 -0.020 0.000 0.198 332 K C 0.139 176.648 176.600 -0.153 0.000 1.070 332 K CA 0.127 56.382 56.287 -0.053 0.000 1.040 332 K CB 2.432 34.984 32.500 0.087 0.000 0.903 332 K HN -0.067 nan 8.250 nan 0.000 0.549 333 V N 1.137 120.878 119.914 -0.288 0.000 2.709 333 V HA 0.611 4.719 4.120 -0.020 0.000 0.308 333 V C -1.143 174.879 176.094 -0.120 0.000 1.062 333 V CA -1.164 60.972 62.300 -0.273 0.000 0.901 333 V CB 1.826 33.206 31.823 -0.737 0.000 1.003 333 V HN 0.146 nan 8.190 nan 0.000 0.425 334 A N 5.182 127.976 122.820 -0.043 0.000 2.353 334 A HA 0.895 5.203 4.320 -0.020 0.000 0.299 334 A C -1.080 176.543 177.584 0.064 0.000 1.089 334 A CA -0.366 51.676 52.037 0.008 0.000 0.736 334 A CB 0.919 19.843 19.000 -0.125 0.000 1.195 334 A HN 0.766 nan 8.150 nan 0.000 0.447 335 I N 1.974 122.632 120.570 0.145 0.000 2.354 335 I HA 0.296 4.454 4.170 -0.020 0.000 0.286 335 I C -0.248 175.968 176.117 0.165 0.000 1.007 335 I CA -0.449 60.949 61.300 0.164 0.000 1.167 335 I CB 1.899 39.976 38.000 0.129 0.000 1.320 335 I HN 0.687 nan 8.210 nan 0.000 0.458 336 Q N 7.122 127.017 119.800 0.159 0.000 2.340 336 Q HA 0.485 4.813 4.340 -0.020 0.000 0.259 336 Q C -1.306 174.699 176.000 0.008 0.000 0.964 336 Q CA -0.290 55.632 55.803 0.197 0.000 0.900 336 Q CB 1.126 30.098 28.738 0.390 0.000 1.228 336 Q HN 0.552 nan 8.270 nan 0.000 0.449 337 L N 3.550 124.821 121.223 0.080 0.000 2.283 337 L HA 0.386 4.714 4.340 -0.020 0.000 0.287 337 L C 0.238 177.153 176.870 0.076 0.000 1.073 337 L CA -0.699 54.178 54.840 0.062 0.000 0.822 337 L CB 0.461 42.599 42.059 0.133 0.000 1.186 337 L HN 0.530 nan 8.230 nan 0.000 0.436 338 N N 4.611 123.274 118.700 -0.062 0.000 2.508 338 N HA 0.055 4.783 4.740 -0.020 0.000 0.253 338 N C -0.187 175.361 175.510 0.064 0.000 1.145 338 N CA 0.555 53.630 53.050 0.041 0.000 0.973 338 N CB -0.202 38.225 38.487 -0.100 0.000 1.305 338 N HN 0.670 nan 8.380 nan 0.000 0.506 339 D N -0.305 120.249 120.400 0.256 0.000 5.019 339 D HA -0.211 4.417 4.640 -0.020 0.000 0.304 339 D C 0.213 176.615 176.300 0.171 0.000 2.360 339 D CA 1.354 55.478 54.000 0.206 0.000 1.276 339 D CB -0.545 40.024 40.800 -0.385 0.000 1.079 339 D HN 0.479 nan 8.370 nan 0.000 1.254 340 T N -2.178 112.407 114.554 0.051 0.000 3.129 340 T HA 0.122 4.460 4.350 -0.020 0.000 0.251 340 T C 1.624 176.410 174.700 0.144 0.000 1.117 340 T CA 1.347 63.443 62.100 -0.008 0.000 1.034 340 T CB -0.495 68.324 68.868 -0.081 0.000 0.968 340 T HN 0.482 nan 8.240 nan 0.000 0.526 341 H N 2.666 121.830 119.070 0.156 0.000 2.319 341 H HA -0.026 4.518 4.556 -0.020 0.000 0.297 341 H C -0.817 174.606 175.328 0.158 0.000 1.097 341 H CA 1.166 57.324 56.048 0.183 0.000 1.285 341 H CB -0.818 29.050 29.762 0.177 0.000 1.368 341 H HN 0.428 nan 8.280 nan 0.000 0.495 342 P HA 0.082 nan 4.420 nan 0.000 0.254 342 P C 0.596 177.946 177.300 0.082 0.000 1.620 342 P CA 0.346 63.533 63.100 0.146 0.000 1.050 342 P CB 0.285 32.060 31.700 0.125 0.000 1.539 343 S N -0.406 115.336 115.700 0.070 0.000 2.442 343 S HA -0.095 4.363 4.470 -0.020 0.000 0.236 343 S C 1.752 176.358 174.600 0.010 0.000 1.007 343 S CA 0.621 58.822 58.200 0.002 0.000 0.965 343 S CB -1.404 61.765 63.200 -0.052 0.000 0.773 343 S HN 0.148 nan 8.310 nan 0.000 0.504 344 L N 0.959 122.199 121.223 0.030 0.000 2.549 344 L HA 0.021 4.349 4.340 -0.020 0.000 0.230 344 L C 2.807 179.706 176.870 0.047 0.000 1.162 344 L CA 0.614 55.465 54.840 0.018 0.000 0.834 344 L CB -0.655 41.403 42.059 -0.001 0.000 0.947 344 L HN 0.479 nan 8.230 nan 0.000 0.452 345 A N 0.247 123.082 122.820 0.025 0.000 1.972 345 A HA -0.158 4.150 4.320 -0.020 0.000 0.219 345 A C 2.161 179.747 177.584 0.003 0.000 1.169 345 A CA 1.265 53.304 52.037 0.004 0.000 0.635 345 A CB -0.371 18.626 19.000 -0.006 0.000 0.810 345 A HN 0.363 nan 8.150 nan 0.000 0.446 346 I N 0.322 120.899 120.570 0.011 0.000 2.133 346 I HA -0.131 4.027 4.170 -0.020 0.000 0.238 346 I C -0.358 175.785 176.117 0.044 0.000 1.074 346 I CA 1.480 62.790 61.300 0.015 0.000 1.342 346 I CB -0.824 37.195 38.000 0.032 0.000 1.053 346 I HN 0.237 nan 8.210 nan 0.000 0.404 347 P HA -0.167 nan 4.420 nan 0.000 0.221 347 P C 1.285 178.605 177.300 0.033 0.000 1.150 347 P CA 1.480 64.614 63.100 0.057 0.000 0.800 347 P CB 0.039 31.794 31.700 0.093 0.000 0.787 348 E N 0.337 120.624 120.200 0.146 0.000 2.072 348 E HA -0.152 4.186 4.350 -0.020 0.000 0.191 348 E C 1.923 178.506 176.600 -0.029 0.000 0.985 348 E CA 0.710 57.214 56.400 0.175 0.000 0.801 348 E CB -1.263 28.583 29.700 0.243 0.000 0.750 348 E HN -0.002 nan 8.360 nan 0.000 0.452 349 L N -0.071 121.105 121.223 -0.078 0.000 2.083 349 L HA -0.081 4.247 4.340 -0.020 0.000 0.209 349 L C 2.053 178.772 176.870 -0.252 0.000 1.083 349 L CA 1.679 56.410 54.840 -0.182 0.000 0.752 349 L CB -0.471 41.485 42.059 -0.171 0.000 0.899 349 L HN 0.245 nan 8.230 nan 0.000 0.433 350 M N -0.907 118.565 119.600 -0.214 0.000 2.132 350 M HA -0.158 4.310 4.480 -0.020 0.000 0.263 350 M C 2.413 178.531 176.300 -0.303 0.000 1.065 350 M CA 1.419 56.535 55.300 -0.306 0.000 1.122 350 M CB -1.101 31.302 32.600 -0.329 0.000 1.365 350 M HN 0.316 nan 8.290 nan 0.000 0.411 351 R N 0.052 120.401 120.500 -0.252 0.000 2.094 351 R HA -0.149 4.179 4.340 -0.020 0.000 0.239 351 R C 2.031 178.210 176.300 -0.201 0.000 1.137 351 R CA 1.839 57.791 56.100 -0.247 0.000 0.943 351 R CB -0.267 29.835 30.300 -0.329 0.000 0.850 351 R HN 0.201 nan 8.270 nan 0.000 0.433 352 V N 1.412 121.207 119.914 -0.198 0.000 2.295 352 V HA -0.263 3.845 4.120 -0.020 0.000 0.246 352 V C 2.426 178.342 176.094 -0.297 0.000 1.049 352 V CA 1.831 64.006 62.300 -0.208 0.000 1.024 352 V CB -0.427 31.269 31.823 -0.213 0.000 0.648 352 V HN 0.346 nan 8.190 nan 0.000 0.447 353 L N -0.717 120.263 121.223 -0.404 0.000 2.093 353 L HA -0.124 4.204 4.340 -0.020 0.000 0.208 353 L C 2.362 179.037 176.870 -0.326 0.000 1.085 353 L CA 1.047 55.581 54.840 -0.511 0.000 0.755 353 L CB -0.531 41.182 42.059 -0.578 0.000 0.904 353 L HN 0.197 nan 8.230 nan 0.000 0.435 354 V N -0.701 119.064 119.914 -0.249 0.000 2.300 354 V HA -0.174 3.934 4.120 -0.020 0.000 0.241 354 V C 1.999 178.043 176.094 -0.082 0.000 1.034 354 V CA 1.608 63.827 62.300 -0.136 0.000 1.021 354 V CB -0.325 31.439 31.823 -0.098 0.000 0.662 354 V HN 0.332 nan 8.190 nan 0.000 0.458 355 D N 0.224 120.570 120.400 -0.091 0.000 2.097 355 D HA -0.059 4.569 4.640 -0.020 0.000 0.197 355 D C 2.066 178.332 176.300 -0.057 0.000 0.984 355 D CA 1.371 55.336 54.000 -0.059 0.000 0.826 355 D CB -0.074 40.684 40.800 -0.069 0.000 0.973 355 D HN 0.328 nan 8.370 nan 0.000 0.460 356 L N 0.213 121.386 121.223 -0.084 0.000 2.200 356 L HA 0.099 4.428 4.340 -0.020 0.000 0.200 356 L C 1.874 178.706 176.870 -0.062 0.000 1.072 356 L CA 0.584 55.385 54.840 -0.065 0.000 0.787 356 L CB -0.152 41.867 42.059 -0.067 0.000 0.957 356 L HN -0.172 nan 8.230 nan 0.000 0.459 357 E N 0.329 120.454 120.200 -0.125 0.000 2.478 357 E HA 0.016 4.354 4.350 -0.020 0.000 0.194 357 E C 0.083 176.647 176.600 -0.061 0.000 1.045 357 E CA -0.070 56.270 56.400 -0.101 0.000 0.868 357 E CB 0.267 29.785 29.700 -0.302 0.000 0.885 357 E HN 0.181 nan 8.360 nan 0.000 0.505 358 R N 0.229 120.689 120.500 -0.067 0.000 3.525 358 R HA -0.169 4.159 4.340 -0.020 0.000 0.276 358 R C -0.050 176.237 176.300 -0.021 0.000 1.116 358 R CA 0.429 56.513 56.100 -0.027 0.000 0.745 358 R CB -2.787 27.516 30.300 0.005 0.000 1.185 358 R HN 0.227 nan 8.270 nan 0.000 0.454 359 L N 0.470 121.653 121.223 -0.066 0.000 2.439 359 L HA 0.282 4.610 4.340 -0.020 0.000 0.259 359 L C 1.415 178.283 176.870 -0.004 0.000 1.129 359 L CA -0.515 54.302 54.840 -0.038 0.000 0.803 359 L CB 0.552 42.551 42.059 -0.099 0.000 1.161 359 L HN 0.104 nan 8.230 nan 0.000 0.462 360 D N 0.553 120.975 120.400 0.036 0.000 2.399 360 D HA -0.133 4.495 4.640 -0.020 0.000 0.241 360 D C 0.767 177.138 176.300 0.119 0.000 1.133 360 D CA -0.382 53.672 54.000 0.090 0.000 0.890 360 D CB 1.177 42.033 40.800 0.094 0.000 1.201 360 D HN 0.635 nan 8.370 nan 0.000 0.432 361 W N 3.595 124.900 121.300 0.008 0.000 2.317 361 W HA -0.232 4.416 4.660 -0.020 0.000 0.318 361 W C 1.188 177.755 176.519 0.080 0.000 1.227 361 W CA 1.783 59.139 57.345 0.019 0.000 1.269 361 W CB -0.300 29.152 29.460 -0.013 0.000 1.155 361 W HN 0.548 nan 8.180 nan 0.000 0.484 362 D N 0.330 120.958 120.400 0.380 0.000 2.144 362 D HA -0.203 4.425 4.640 -0.020 0.000 0.199 362 D C 1.877 178.291 176.300 0.190 0.000 0.984 362 D CA 1.953 56.147 54.000 0.322 0.000 0.834 362 D CB -0.394 40.567 40.800 0.268 0.000 0.955 362 D HN 0.131 nan 8.370 nan 0.000 0.465 363 K N 1.616 122.084 120.400 0.115 0.000 2.097 363 K HA -0.002 4.306 4.320 -0.020 0.000 0.205 363 K C 1.811 178.416 176.600 0.008 0.000 1.050 363 K CA 1.389 57.715 56.287 0.066 0.000 0.938 363 K CB -0.440 32.094 32.500 0.056 0.000 0.718 363 K HN -0.014 nan 8.250 nan 0.000 0.442 364 A N 0.586 123.374 122.820 -0.053 0.000 1.898 364 A HA -0.142 4.166 4.320 -0.020 0.000 0.216 364 A C 2.260 179.765 177.584 -0.132 0.000 1.181 364 A CA 1.319 53.254 52.037 -0.169 0.000 0.620 364 A CB -1.231 17.595 19.000 -0.290 0.000 0.819 364 A HN 0.674 nan 8.150 nan 0.000 0.442 365 W N 1.038 122.149 121.300 -0.314 0.000 2.358 365 W HA -0.210 4.438 4.660 -0.020 0.000 0.303 365 W C 2.069 178.540 176.519 -0.079 0.000 1.208 365 W CA 1.905 59.114 57.345 -0.227 0.000 1.274 365 W CB -0.082 29.299 29.460 -0.133 0.000 1.138 365 W HN 0.669 nan 8.180 nan 0.000 0.515 366 E N 0.341 120.527 120.200 -0.024 0.000 2.038 366 E HA -0.250 4.088 4.350 -0.020 0.000 0.195 366 E C 1.947 178.462 176.600 -0.141 0.000 1.000 366 E CA 2.354 58.703 56.400 -0.085 0.000 0.803 366 E CB -0.677 29.033 29.700 0.017 0.000 0.750 366 E HN 0.067 nan 8.360 nan 0.000 0.448 367 V N 1.226 121.082 119.914 -0.096 0.000 2.287 367 V HA -0.292 3.816 4.120 -0.020 0.000 0.248 367 V C 2.497 178.528 176.094 -0.105 0.000 1.053 367 V CA 2.299 64.562 62.300 -0.062 0.000 1.027 367 V CB -0.946 30.838 31.823 -0.065 0.000 0.646 367 V HN 0.441 nan 8.190 nan 0.000 0.447 368 T N 0.011 114.427 114.554 -0.230 0.000 2.674 368 T HA -0.165 4.173 4.350 -0.020 0.000 0.265 368 T C 1.959 176.477 174.700 -0.303 0.000 1.039 368 T CA 1.738 63.675 62.100 -0.271 0.000 1.150 368 T CB -0.307 68.344 68.868 -0.361 0.000 0.864 368 T HN 0.287 nan 8.240 nan 0.000 0.427 369 V N 1.472 121.077 119.914 -0.515 0.000 2.332 369 V HA -0.195 3.913 4.120 -0.020 0.000 0.248 369 V C 2.384 178.442 176.094 -0.060 0.000 1.055 369 V CA 1.657 63.733 62.300 -0.374 0.000 1.038 369 V CB -0.537 31.001 31.823 -0.475 0.000 0.651 369 V HN 0.448 nan 8.190 nan 0.000 0.450 370 K N -0.479 119.863 120.400 -0.097 0.000 2.280 370 K HA -0.114 4.194 4.320 -0.020 0.000 0.202 370 K C 2.092 178.689 176.600 -0.005 0.000 1.047 370 K CA 1.641 57.862 56.287 -0.110 0.000 0.942 370 K CB -0.204 32.230 32.500 -0.109 0.000 0.739 370 K HN 0.497 nan 8.250 nan 0.000 0.457 371 T N -0.058 114.543 114.554 0.080 0.000 3.010 371 T HA 0.036 4.374 4.350 -0.020 0.000 0.252 371 T C 0.850 175.667 174.700 0.196 0.000 1.047 371 T CA 0.344 62.529 62.100 0.142 0.000 1.140 371 T CB 0.143 69.124 68.868 0.189 0.000 0.885 371 T HN 0.170 nan 8.240 nan 0.000 0.464 372 C N 2.149 121.537 119.300 0.147 0.000 2.370 372 C HA 0.911 5.359 4.460 -0.020 0.000 0.354 372 C C 0.464 175.487 174.990 0.054 0.000 1.218 372 C CA -1.380 57.701 59.018 0.106 0.000 2.154 372 C CB 0.347 28.099 27.740 0.020 0.000 2.391 372 C HN 0.568 nan 8.230 nan 0.000 0.540 373 A N 1.376 124.224 122.820 0.048 0.000 2.455 373 A HA 0.697 5.005 4.320 -0.020 0.000 0.300 373 A C -1.585 176.066 177.584 0.112 0.000 1.040 373 A CA -0.343 51.667 52.037 -0.044 0.000 0.697 373 A CB 1.000 19.969 19.000 -0.051 0.000 1.265 373 A HN 0.905 nan 8.150 nan 0.000 0.407 374 Y N 1.415 121.666 120.300 -0.082 0.000 2.352 374 Y HA 0.680 5.218 4.550 -0.020 0.000 0.339 374 Y C -0.372 175.530 175.900 0.003 0.000 0.992 374 Y CA -0.642 57.434 58.100 -0.040 0.000 1.100 374 Y CB 1.844 40.241 38.460 -0.106 0.000 1.192 374 Y HN 0.546 nan 8.280 nan 0.000 0.458 375 T N 7.196 121.605 114.554 -0.241 0.000 2.758 375 T HA 0.229 4.567 4.350 -0.020 0.000 0.285 375 T C -0.648 173.657 174.700 -0.659 0.000 0.981 375 T CA -0.790 61.091 62.100 -0.365 0.000 0.965 375 T CB 0.241 69.119 68.868 0.017 0.000 0.927 375 T HN 0.663 nan 8.240 nan 0.000 0.448 376 N N 1.749 120.045 118.700 -0.672 0.000 2.456 376 N HA 0.147 4.875 4.740 -0.020 0.000 0.288 376 N C 0.073 175.452 175.510 -0.219 0.000 1.059 376 N CA -0.360 52.509 53.050 -0.301 0.000 0.946 376 N CB 0.815 39.280 38.487 -0.038 0.000 1.150 376 N HN 0.678 nan 8.380 nan 0.000 0.479 377 H N 0.960 120.062 119.070 0.054 0.000 2.893 377 H HA 0.162 4.706 4.556 -0.020 0.000 0.270 377 H C -0.117 175.117 175.328 -0.157 0.000 1.095 377 H CA -0.024 55.992 56.048 -0.053 0.000 1.186 377 H CB 1.224 30.974 29.762 -0.020 0.000 1.562 377 H HN 0.509 nan 8.280 nan 0.000 0.536 378 T N -0.554 114.022 114.554 0.037 0.000 2.786 378 T HA 0.281 4.619 4.350 -0.020 0.000 0.316 378 T C -0.254 174.473 174.700 0.046 0.000 1.503 378 T CA -0.356 61.721 62.100 -0.039 0.000 1.019 378 T CB 1.840 70.679 68.868 -0.047 0.000 1.415 378 T HN -0.124 nan 8.240 nan 0.000 0.496 379 V N 2.140 122.038 119.914 -0.026 0.000 3.502 379 V HA 0.457 4.565 4.120 -0.020 0.000 0.288 379 V C 0.379 176.442 176.094 -0.052 0.000 1.461 379 V CA -0.112 62.165 62.300 -0.038 0.000 1.029 379 V CB 0.096 31.907 31.823 -0.021 0.000 0.843 379 V HN 0.677 nan 8.190 nan 0.000 0.438 380 L N 3.066 124.249 121.223 -0.066 0.000 2.410 380 L HA 0.181 4.509 4.340 -0.020 0.000 0.273 380 L C -0.729 176.145 176.870 0.005 0.000 1.144 380 L CA -0.998 53.827 54.840 -0.026 0.000 0.863 380 L CB 0.335 42.367 42.059 -0.046 0.000 1.140 380 L HN 0.106 nan 8.230 nan 0.000 0.463 381 P HA -0.225 nan 4.420 nan 0.000 0.215 381 P C 1.011 178.320 177.300 0.014 0.000 1.153 381 P CA 1.337 64.444 63.100 0.012 0.000 0.853 381 P CB 0.029 31.740 31.700 0.018 0.000 0.788 382 E N 0.476 120.714 120.200 0.063 0.000 2.409 382 E HA -0.078 4.260 4.350 -0.020 0.000 0.198 382 E C 1.493 178.126 176.600 0.055 0.000 1.024 382 E CA 1.155 57.606 56.400 0.085 0.000 0.861 382 E CB -0.699 29.136 29.700 0.225 0.000 0.788 382 E HN 0.203 nan 8.360 nan 0.000 0.521 383 A N 0.918 123.777 122.820 0.065 0.000 2.308 383 A HA 0.317 4.625 4.320 -0.020 0.000 0.217 383 A C 0.895 178.502 177.584 0.038 0.000 1.216 383 A CA -0.315 51.772 52.037 0.082 0.000 0.864 383 A CB 0.051 19.103 19.000 0.087 0.000 0.902 383 A HN 0.136 nan 8.150 nan 0.000 0.499 384 L N 0.661 121.854 121.223 -0.051 0.000 2.322 384 L HA 0.324 4.652 4.340 -0.020 0.000 0.279 384 L C -0.218 176.355 176.870 -0.495 0.000 1.036 384 L CA -0.595 54.158 54.840 -0.143 0.000 0.807 384 L CB 1.598 43.612 42.059 -0.076 0.000 1.226 384 L HN 0.216 nan 8.230 nan 0.000 0.433 385 E N 3.241 123.060 120.200 -0.635 0.000 2.257 385 E HA 0.240 4.578 4.350 -0.020 0.000 0.278 385 E C -0.732 175.223 176.600 -1.076 0.000 1.049 385 E CA -0.111 55.476 56.400 -1.355 0.000 0.876 385 E CB 0.679 29.931 29.700 -0.746 0.000 1.035 385 E HN 0.365 nan 8.360 nan 0.000 0.419 386 R N 3.751 123.401 120.500 -1.416 0.000 2.576 386 R HA 0.176 4.504 4.340 -0.020 0.000 0.283 386 R C -1.325 174.728 176.300 -0.411 0.000 1.493 386 R CA -0.540 55.184 56.100 -0.627 0.000 1.170 386 R CB 0.716 30.786 30.300 -0.385 0.000 1.189 386 R HN 0.473 nan 8.270 nan 0.000 0.542 387 W N 4.346 125.571 121.300 -0.125 0.000 2.356 387 W HA 0.246 4.894 4.660 -0.020 0.000 0.311 387 W C -1.903 174.594 176.519 -0.035 0.000 1.328 387 W CA -2.084 55.262 57.345 0.003 0.000 1.251 387 W CB 0.592 30.035 29.460 -0.028 0.000 1.280 387 W HN 0.222 nan 8.180 nan 0.000 0.524 388 P HA -0.118 nan 4.420 nan 0.000 0.265 388 P C 0.899 178.203 177.300 0.008 0.000 1.193 388 P CA 0.193 63.349 63.100 0.094 0.000 0.765 388 P CB 0.708 32.437 31.700 0.049 0.000 0.823 389 V N 2.033 121.986 119.914 0.065 0.000 2.594 389 V HA -0.273 3.835 4.120 -0.020 0.000 0.253 389 V C 1.903 178.016 176.094 0.032 0.000 1.069 389 V CA 2.191 64.516 62.300 0.042 0.000 1.082 389 V CB -2.029 29.866 31.823 0.120 0.000 0.680 389 V HN 0.664 nan 8.190 nan 0.000 0.469 390 H N -0.370 118.754 119.070 0.090 0.000 2.423 390 H HA -0.039 4.505 4.556 -0.020 0.000 0.297 390 H C 1.875 177.248 175.328 0.076 0.000 1.075 390 H CA 1.887 57.984 56.048 0.082 0.000 1.342 390 H CB -0.600 29.212 29.762 0.084 0.000 1.395 390 H HN 0.402 nan 8.280 nan 0.000 0.530 391 L N 0.175 121.042 121.223 -0.592 0.000 2.093 391 L HA 0.002 4.330 4.340 -0.020 0.000 0.208 391 L C 2.252 179.021 176.870 -0.168 0.000 1.085 391 L CA 1.238 55.887 54.840 -0.319 0.000 0.755 391 L CB -0.474 41.413 42.059 -0.287 0.000 0.904 391 L HN 0.404 nan 8.230 nan 0.000 0.435 392 L N -0.794 120.329 121.223 -0.167 0.000 2.109 392 L HA -0.151 4.177 4.340 -0.020 0.000 0.207 392 L C 2.512 179.306 176.870 -0.126 0.000 1.086 392 L CA 1.177 55.907 54.840 -0.183 0.000 0.760 392 L CB -0.508 41.439 42.059 -0.186 0.000 0.910 392 L HN 0.420 nan 8.230 nan 0.000 0.437 393 E N -0.541 119.629 120.200 -0.051 0.000 2.106 393 E HA -0.218 4.120 4.350 -0.020 0.000 0.192 393 E C 1.987 178.614 176.600 0.046 0.000 0.984 393 E CA 1.731 58.130 56.400 -0.003 0.000 0.806 393 E CB -0.462 29.273 29.700 0.058 0.000 0.750 393 E HN 0.465 nan 8.360 nan 0.000 0.458 394 T N -0.242 114.365 114.554 0.088 0.000 2.894 394 T HA -0.054 4.284 4.350 -0.020 0.000 0.258 394 T C 1.924 176.738 174.700 0.190 0.000 1.043 394 T CA 0.706 62.915 62.100 0.182 0.000 1.141 394 T CB -0.153 68.859 68.868 0.240 0.000 0.873 394 T HN 0.156 nan 8.240 nan 0.000 0.449 395 L N -0.082 121.141 121.223 -0.000 0.000 2.162 395 L HA 0.495 4.823 4.340 -0.020 0.000 0.205 395 L C 0.626 177.413 176.870 -0.138 0.000 1.086 395 L CA 1.360 56.054 54.840 -0.242 0.000 0.778 395 L CB 0.048 41.926 42.059 -0.300 0.000 0.928 395 L HN 0.324 nan 8.230 nan 0.000 0.446 396 L N 0.699 121.823 121.223 -0.165 0.000 2.551 396 L HA 0.296 4.624 4.340 -0.020 0.000 0.248 396 L C -1.664 175.044 176.870 -0.271 0.000 1.509 396 L CA -0.998 53.684 54.840 -0.264 0.000 0.842 396 L CB 0.887 42.653 42.059 -0.489 0.000 1.087 396 L HN -0.073 nan 8.230 nan 0.000 0.512 397 P HA -0.229 nan 4.420 nan 0.000 0.216 397 P C 1.319 178.423 177.300 -0.326 0.000 1.153 397 P CA 1.320 64.310 63.100 -0.184 0.000 0.858 397 P CB 0.285 31.957 31.700 -0.046 0.000 0.789 398 R N -1.328 118.788 120.500 -0.640 0.000 2.240 398 R HA -0.048 4.280 4.340 -0.020 0.000 0.203 398 R C 2.173 178.125 176.300 -0.581 0.000 1.011 398 R CA 0.583 56.319 56.100 -0.608 0.000 1.007 398 R CB -0.366 29.468 30.300 -0.778 0.000 0.911 398 R HN 0.323 nan 8.270 nan 0.000 0.468 399 H N -0.394 118.353 119.070 -0.538 0.000 2.403 399 H HA -0.089 4.455 4.556 -0.020 0.000 0.298 399 H C 1.648 176.788 175.328 -0.312 0.000 1.059 399 H CA 1.095 56.902 56.048 -0.403 0.000 1.363 399 H CB 0.172 29.655 29.762 -0.465 0.000 1.410 399 H HN 0.029 nan 8.280 nan 0.000 0.528 400 L N 0.796 121.877 121.223 -0.236 0.000 2.093 400 L HA -0.154 4.174 4.340 -0.020 0.000 0.208 400 L C 1.832 178.488 176.870 -0.357 0.000 1.085 400 L CA 1.628 56.263 54.840 -0.342 0.000 0.755 400 L CB -0.473 41.401 42.059 -0.308 0.000 0.904 400 L HN 0.258 nan 8.230 nan 0.000 0.435 401 Q N -0.705 118.994 119.800 -0.169 0.000 2.119 401 Q HA -0.164 4.164 4.340 -0.020 0.000 0.201 401 Q C 2.282 178.291 176.000 0.015 0.000 0.972 401 Q CA 1.897 57.694 55.803 -0.010 0.000 0.847 401 Q CB -0.122 28.617 28.738 0.003 0.000 0.903 401 Q HN 0.572 nan 8.270 nan 0.000 0.433 402 I N 0.203 120.757 120.570 -0.027 0.000 2.439 402 I HA -0.231 3.927 4.170 -0.020 0.000 0.251 402 I C 2.076 178.256 176.117 0.105 0.000 1.139 402 I CA 0.821 62.189 61.300 0.112 0.000 1.438 402 I CB -0.076 37.926 38.000 0.003 0.000 1.085 402 I HN 0.187 nan 8.210 nan 0.000 0.427 403 I N -0.340 120.209 120.570 -0.035 0.000 2.315 403 I HA -0.303 3.856 4.170 -0.020 0.000 0.248 403 I C 2.323 178.451 176.117 0.020 0.000 1.117 403 I CA 1.338 62.609 61.300 -0.049 0.000 1.404 403 I CB -0.269 37.634 38.000 -0.162 0.000 1.071 403 I HN 0.162 nan 8.210 nan 0.000 0.419 404 Y N 0.666 120.964 120.300 -0.002 0.000 2.293 404 Y HA -0.227 4.311 4.550 -0.020 0.000 0.291 404 Y C 2.541 178.404 175.900 -0.062 0.000 1.137 404 Y CA 1.275 59.361 58.100 -0.022 0.000 1.202 404 Y CB -0.566 37.875 38.460 -0.033 0.000 0.990 404 Y HN 0.207 nan 8.280 nan 0.000 0.537 405 E N 0.213 120.454 120.200 0.069 0.000 2.158 405 E HA -0.066 4.272 4.350 -0.020 0.000 0.191 405 E C 1.981 178.506 176.600 -0.125 0.000 0.982 405 E CA 0.843 57.148 56.400 -0.159 0.000 0.823 405 E CB -0.435 29.002 29.700 -0.437 0.000 0.766 405 E HN 0.454 nan 8.360 nan 0.000 0.468 406 I N 0.582 121.171 120.570 0.031 0.000 2.252 406 I HA -0.214 3.944 4.170 -0.020 0.000 0.245 406 I C 2.175 178.280 176.117 -0.021 0.000 1.102 406 I CA 1.058 62.307 61.300 -0.085 0.000 1.385 406 I CB -0.330 37.596 38.000 -0.124 0.000 1.064 406 I HN 0.185 nan 8.210 nan 0.000 0.414 407 N N 0.847 119.590 118.700 0.071 0.000 2.058 407 N HA -0.278 4.450 4.740 -0.020 0.000 0.191 407 N C 1.850 177.442 175.510 0.137 0.000 1.037 407 N CA 1.591 54.736 53.050 0.159 0.000 0.848 407 N CB -0.173 38.429 38.487 0.192 0.000 1.021 407 N HN 0.159 nan 8.380 nan 0.000 0.422 408 Q N 0.721 120.549 119.800 0.046 0.000 2.096 408 Q HA -0.049 4.280 4.340 -0.020 0.000 0.204 408 Q C 1.895 177.882 176.000 -0.023 0.000 0.982 408 Q CA 1.721 57.517 55.803 -0.012 0.000 0.850 408 Q CB -0.170 28.519 28.738 -0.083 0.000 0.901 408 Q HN 0.375 nan 8.270 nan 0.000 0.422 409 R N -1.401 119.070 120.500 -0.049 0.000 2.153 409 R HA -0.006 4.322 4.340 -0.020 0.000 0.218 409 R C 1.973 178.311 176.300 0.065 0.000 1.072 409 R CA 0.987 57.060 56.100 -0.045 0.000 0.990 409 R CB -0.297 29.926 30.300 -0.128 0.000 0.889 409 R HN 0.271 nan 8.270 nan 0.000 0.452 410 F N 1.126 121.064 119.950 -0.021 0.000 2.128 410 F HA -0.023 4.492 4.527 -0.020 0.000 0.295 410 F C 1.720 177.556 175.800 0.060 0.000 1.100 410 F CA 1.186 59.224 58.000 0.063 0.000 1.260 410 F CB -0.120 38.949 39.000 0.114 0.000 1.009 410 F HN -0.129 nan 8.300 nan 0.000 0.476 411 L N 0.137 121.395 121.223 0.059 0.000 2.131 411 L HA -0.260 4.068 4.340 -0.020 0.000 0.210 411 L C 2.012 178.826 176.870 -0.093 0.000 1.092 411 L CA 1.658 56.469 54.840 -0.049 0.000 0.759 411 L CB -0.934 41.150 42.059 0.042 0.000 0.903 411 L HN 0.284 nan 8.230 nan 0.000 0.435 412 N N -0.284 118.379 118.700 -0.062 0.000 2.166 412 N HA -0.173 4.555 4.740 -0.020 0.000 0.186 412 N C 1.921 177.383 175.510 -0.081 0.000 1.019 412 N CA 0.865 53.878 53.050 -0.061 0.000 0.856 412 N CB 0.037 38.495 38.487 -0.048 0.000 0.993 412 N HN 0.308 nan 8.380 nan 0.000 0.426 413 R N 0.539 120.971 120.500 -0.113 0.000 2.075 413 R HA -0.070 4.258 4.340 -0.020 0.000 0.232 413 R C 2.495 178.698 176.300 -0.162 0.000 1.126 413 R CA 1.066 57.093 56.100 -0.122 0.000 0.963 413 R CB -0.527 29.709 30.300 -0.106 0.000 0.858 413 R HN 0.188 nan 8.270 nan 0.000 0.435 414 V N 0.246 120.009 119.914 -0.252 0.000 2.358 414 V HA -0.109 3.999 4.120 -0.020 0.000 0.246 414 V C 2.159 178.253 176.094 0.001 0.000 1.047 414 V CA 1.988 64.218 62.300 -0.116 0.000 1.035 414 V CB -0.514 31.179 31.823 -0.215 0.000 0.658 414 V HN 0.289 nan 8.190 nan 0.000 0.452 415 A N 0.411 123.202 122.820 -0.047 0.000 1.940 415 A HA 0.004 4.312 4.320 -0.020 0.000 0.219 415 A C 2.452 180.019 177.584 -0.028 0.000 1.176 415 A CA 2.417 54.444 52.037 -0.018 0.000 0.631 415 A CB -1.058 17.922 19.000 -0.033 0.000 0.814 415 A HN 1.110 nan 8.150 nan 0.000 0.446 416 A N -0.934 121.849 122.820 -0.062 0.000 2.072 416 A HA 0.414 4.722 4.320 -0.020 0.000 0.216 416 A C 2.266 179.768 177.584 -0.137 0.000 1.156 416 A CA 1.420 53.410 52.037 -0.079 0.000 0.701 416 A CB -0.520 18.437 19.000 -0.071 0.000 0.816 416 A HN 0.930 nan 8.150 nan 0.000 0.458 417 A N -1.672 121.029 122.820 -0.198 0.000 2.030 417 A HA 0.435 4.743 4.320 -0.020 0.000 0.215 417 A C 0.318 177.454 177.584 -0.748 0.000 1.164 417 A CA 0.471 52.228 52.037 -0.467 0.000 0.697 417 A CB -0.091 18.590 19.000 -0.531 0.000 0.827 417 A HN 0.395 nan 8.150 nan 0.000 0.457 418 F N -0.090 119.813 119.950 -0.079 0.000 2.710 418 F HA 0.332 4.847 4.527 -0.020 0.000 0.345 418 F C -2.835 172.927 175.800 -0.062 0.000 1.362 418 F CA -2.785 55.173 58.000 -0.070 0.000 1.175 418 F CB 0.897 39.846 39.000 -0.085 0.000 1.561 418 F HN -0.082 nan 8.300 nan 0.000 0.593 419 P HA 0.227 nan 4.420 nan 0.000 0.263 419 P C 1.005 178.325 177.300 0.034 0.000 1.195 419 P CA 1.132 64.245 63.100 0.023 0.000 0.762 419 P CB 0.896 32.590 31.700 -0.009 0.000 0.799 420 G N 2.938 111.751 108.800 0.022 0.000 2.284 420 G HA2 -0.233 3.715 3.960 -0.020 0.000 0.230 420 G HA3 -0.233 3.715 3.960 -0.020 0.000 0.230 420 G C 0.390 175.298 174.900 0.013 0.000 1.021 420 G CA -0.092 45.017 45.100 0.014 0.000 0.619 420 G HN 0.578 nan 8.290 nan 0.000 0.510 421 D N 1.896 122.311 120.400 0.026 0.000 2.541 421 D HA 0.324 4.952 4.640 -0.020 0.000 0.231 421 D C 2.121 178.410 176.300 -0.019 0.000 1.163 421 D CA 0.607 54.605 54.000 -0.002 0.000 1.077 421 D CB 0.494 41.286 40.800 -0.015 0.000 1.110 421 D HN 0.725 nan 8.370 nan 0.000 0.499 422 V N 0.941 120.846 119.914 -0.015 0.000 2.548 422 V HA -0.132 3.976 4.120 -0.020 0.000 0.249 422 V C 1.691 177.773 176.094 -0.020 0.000 1.055 422 V CA 1.614 63.905 62.300 -0.015 0.000 1.065 422 V CB -0.314 31.504 31.823 -0.009 0.000 0.681 422 V HN 0.201 nan 8.190 nan 0.000 0.462 423 D N 0.355 120.739 120.400 -0.026 0.000 2.178 423 D HA -0.175 4.453 4.640 -0.020 0.000 0.202 423 D C 2.319 178.595 176.300 -0.041 0.000 0.974 423 D CA 1.295 55.281 54.000 -0.024 0.000 0.841 423 D CB -0.220 40.566 40.800 -0.024 0.000 0.953 423 D HN 0.499 nan 8.370 nan 0.000 0.478 424 R N -0.094 120.358 120.500 -0.080 0.000 2.092 424 R HA -0.076 4.252 4.340 -0.020 0.000 0.231 424 R C 2.201 178.440 176.300 -0.102 0.000 1.119 424 R CA 0.810 56.828 56.100 -0.136 0.000 0.970 424 R CB -0.242 29.915 30.300 -0.238 0.000 0.864 424 R HN 0.261 nan 8.270 nan 0.000 0.440 425 L N 0.394 121.580 121.223 -0.062 0.000 2.042 425 L HA -0.189 4.139 4.340 -0.020 0.000 0.210 425 L C 2.943 179.827 176.870 0.022 0.000 1.076 425 L CA 1.645 56.469 54.840 -0.027 0.000 0.749 425 L CB -0.541 41.509 42.059 -0.014 0.000 0.893 425 L HN 0.284 nan 8.230 nan 0.000 0.432 426 R N 0.427 120.941 120.500 0.022 0.000 2.096 426 R HA -0.153 4.175 4.340 -0.020 0.000 0.235 426 R C 2.424 178.779 176.300 0.092 0.000 1.127 426 R CA 1.371 57.503 56.100 0.053 0.000 0.968 426 R CB -0.035 30.287 30.300 0.035 0.000 0.861 426 R HN 0.332 nan 8.270 nan 0.000 0.440 427 R N -0.408 120.134 120.500 0.070 0.000 2.090 427 R HA 0.010 4.338 4.340 -0.020 0.000 0.228 427 R C 2.184 178.618 176.300 0.222 0.000 1.110 427 R CA 1.406 57.581 56.100 0.125 0.000 0.973 427 R CB -0.089 30.243 30.300 0.053 0.000 0.869 427 R HN 0.288 nan 8.270 nan 0.000 0.440 428 M N 0.409 120.060 119.600 0.084 0.000 2.558 428 M HA 0.037 4.505 4.480 -0.020 0.000 0.255 428 M C 0.873 177.416 176.300 0.405 0.000 1.113 428 M CA 0.111 55.447 55.300 0.060 0.000 1.097 428 M CB 0.314 32.768 32.600 -0.243 0.000 1.426 428 M HN -0.064 nan 8.290 nan 0.000 0.488 429 S N 0.787 116.693 115.700 0.344 0.000 2.558 429 S HA 0.010 4.468 4.470 -0.020 0.000 0.288 429 S C 0.953 175.808 174.600 0.426 0.000 1.318 429 S CA -0.360 58.046 58.200 0.343 0.000 1.056 429 S CB 0.620 63.949 63.200 0.214 0.000 0.853 429 S HN 0.229 nan 8.310 nan 0.000 0.505 430 L N 5.241 126.661 121.223 0.328 0.000 2.376 430 L HA 0.178 4.506 4.340 -0.020 0.000 0.219 430 L C 0.313 177.270 176.870 0.145 0.000 1.133 430 L CA 0.795 55.773 54.840 0.230 0.000 0.816 430 L CB -0.275 41.876 42.059 0.153 0.000 0.933 430 L HN 0.473 nan 8.230 nan 0.000 0.449 431 V N -0.366 119.654 119.914 0.176 0.000 2.394 431 V HA 0.219 4.328 4.120 -0.020 0.000 0.282 431 V C 0.167 176.330 176.094 0.115 0.000 1.031 431 V CA -0.873 61.519 62.300 0.154 0.000 0.881 431 V CB 1.480 33.436 31.823 0.221 0.000 0.982 431 V HN 0.085 nan 8.190 nan 0.000 0.451 432 E N 4.005 124.251 120.200 0.076 0.000 2.046 432 E HA 0.253 4.591 4.350 -0.020 0.000 0.279 432 E C -0.182 176.457 176.600 0.065 0.000 0.989 432 E CA -0.462 55.971 56.400 0.055 0.000 0.798 432 E CB 0.677 30.384 29.700 0.012 0.000 1.086 432 E HN 0.649 nan 8.360 nan 0.000 0.399 433 E N 1.636 121.875 120.200 0.064 0.000 2.391 433 E HA 0.471 4.809 4.350 -0.020 0.000 0.255 433 E C 0.589 177.219 176.600 0.050 0.000 1.187 433 E CA -0.102 56.333 56.400 0.058 0.000 0.941 433 E CB 1.169 30.898 29.700 0.048 0.000 1.010 433 E HN 0.738 nan 8.360 nan 0.000 0.458 434 G N -1.016 107.813 108.800 0.047 0.000 2.325 434 G HA2 0.146 4.094 3.960 -0.020 0.000 0.285 434 G HA3 0.146 4.094 3.960 -0.020 0.000 0.285 434 G C 0.395 175.323 174.900 0.046 0.000 1.303 434 G CA 0.220 45.346 45.100 0.043 0.000 0.970 434 G HN 0.478 nan 8.290 nan 0.000 0.490 435 A N -1.010 121.836 122.820 0.043 0.000 1.859 435 A HA 0.284 4.592 4.320 -0.020 0.000 0.217 435 A C 1.378 178.997 177.584 0.058 0.000 1.198 435 A CA 2.633 54.696 52.037 0.044 0.000 0.629 435 A CB -0.665 18.358 19.000 0.039 0.000 0.830 435 A HN 1.619 nan 8.150 nan 0.000 0.446 436 V N 1.061 121.018 119.914 0.072 0.000 2.311 436 V HA 0.220 4.328 4.120 -0.020 0.000 0.275 436 V C 0.098 176.256 176.094 0.107 0.000 1.022 436 V CA -0.646 61.717 62.300 0.105 0.000 0.830 436 V CB 0.879 32.776 31.823 0.122 0.000 1.012 436 V HN 0.447 nan 8.190 nan 0.000 0.452 437 K N 4.647 125.117 120.400 0.116 0.000 2.436 437 K HA 0.346 4.654 4.320 -0.020 0.000 0.275 437 K C 0.081 176.752 176.600 0.118 0.000 0.999 437 K CA 0.339 56.694 56.287 0.113 0.000 0.980 437 K CB 0.487 33.065 32.500 0.130 0.000 0.919 437 K HN 0.649 nan 8.250 nan 0.000 0.484 438 R N 2.446 123.001 120.500 0.091 0.000 2.817 438 R HA 0.487 4.815 4.340 -0.020 0.000 0.268 438 R C -0.961 175.369 176.300 0.051 0.000 1.027 438 R CA -1.103 55.039 56.100 0.070 0.000 0.928 438 R CB 1.061 31.380 30.300 0.032 0.000 1.228 438 R HN 0.338 nan 8.270 nan 0.000 0.469 439 I N 1.770 122.363 120.570 0.038 0.000 2.362 439 I HA 0.175 4.333 4.170 -0.020 0.000 0.289 439 I C -0.272 175.812 176.117 -0.055 0.000 0.994 439 I CA -0.735 60.572 61.300 0.013 0.000 1.158 439 I CB 1.365 39.374 38.000 0.016 0.000 1.315 439 I HN 0.555 nan 8.210 nan 0.000 0.451 440 N N 7.066 125.699 118.700 -0.112 0.000 2.402 440 N HA 0.070 4.798 4.740 -0.020 0.000 0.252 440 N C 0.846 176.250 175.510 -0.177 0.000 1.118 440 N CA -0.355 52.551 53.050 -0.239 0.000 0.945 440 N CB 0.957 39.142 38.487 -0.503 0.000 1.147 440 N HN 0.398 nan 8.380 nan 0.000 0.495 441 M N 2.710 122.210 119.600 -0.166 0.000 2.175 441 M HA -0.084 4.384 4.480 -0.020 0.000 0.264 441 M C 2.062 178.227 176.300 -0.227 0.000 1.063 441 M CA 0.848 56.070 55.300 -0.131 0.000 1.119 441 M CB -1.668 30.893 32.600 -0.066 0.000 1.377 441 M HN 0.614 nan 8.290 nan 0.000 0.415 442 A N -0.447 122.242 122.820 -0.219 0.000 1.933 442 A HA -0.188 4.120 4.320 -0.020 0.000 0.218 442 A C 2.012 179.404 177.584 -0.320 0.000 1.175 442 A CA 1.575 53.452 52.037 -0.267 0.000 0.628 442 A CB -1.189 17.869 19.000 0.097 0.000 0.814 442 A HN 0.616 nan 8.150 nan 0.000 0.444 443 H N -1.550 117.304 119.070 -0.360 0.000 2.389 443 H HA -0.092 4.452 4.556 -0.020 0.000 0.299 443 H C 2.084 177.187 175.328 -0.376 0.000 1.081 443 H CA 1.118 56.905 56.048 -0.434 0.000 1.345 443 H CB 0.006 29.701 29.762 -0.112 0.000 1.393 443 H HN 0.463 nan 8.280 nan 0.000 0.520 444 L N 0.559 121.700 121.223 -0.137 0.000 2.046 444 L HA -0.136 4.192 4.340 -0.020 0.000 0.208 444 L C 2.219 178.976 176.870 -0.189 0.000 1.077 444 L CA 1.383 56.148 54.840 -0.125 0.000 0.747 444 L CB -0.758 41.255 42.059 -0.077 0.000 0.896 444 L HN 0.243 nan 8.230 nan 0.000 0.432 445 C N -0.319 118.778 119.300 -0.339 0.000 2.446 445 C HA -0.086 4.363 4.460 -0.020 0.000 0.277 445 C C 2.699 177.501 174.990 -0.314 0.000 1.275 445 C CA 0.948 59.718 59.018 -0.414 0.000 1.727 445 C CB -0.896 26.269 27.740 -0.959 0.000 2.010 445 C HN 0.624 nan 8.230 nan 0.000 0.486 446 I N 1.438 121.766 120.570 -0.403 0.000 2.179 446 I HA -0.188 3.970 4.170 -0.020 0.000 0.242 446 I C 2.733 178.708 176.117 -0.237 0.000 1.088 446 I CA 1.655 62.736 61.300 -0.366 0.000 1.357 446 I CB -0.526 37.098 38.000 -0.627 0.000 1.051 446 I HN 0.259 nan 8.210 nan 0.000 0.409 447 A N 0.486 123.116 122.820 -0.316 0.000 1.933 447 A HA -0.097 4.211 4.320 -0.020 0.000 0.218 447 A C 2.236 179.884 177.584 0.107 0.000 1.175 447 A CA 1.879 53.764 52.037 -0.253 0.000 0.628 447 A CB -1.166 17.486 19.000 -0.579 0.000 0.814 447 A HN 0.480 nan 8.150 nan 0.000 0.444 448 G N -1.249 107.560 108.800 0.014 0.000 3.189 448 G HA2 0.410 4.358 3.960 -0.020 0.000 0.225 448 G HA3 0.410 4.358 3.960 -0.020 0.000 0.225 448 G C 0.135 174.892 174.900 -0.238 0.000 1.159 448 G CA 0.528 45.528 45.100 -0.166 0.000 0.763 448 G HN 0.363 nan 8.290 nan 0.000 0.549 449 S N -0.336 115.277 115.700 -0.146 0.000 2.536 449 S HA 0.332 4.790 4.470 -0.020 0.000 0.298 449 S C 0.635 175.193 174.600 -0.071 0.000 1.083 449 S CA -0.714 57.420 58.200 -0.109 0.000 0.995 449 S CB 1.269 64.410 63.200 -0.099 0.000 1.058 449 S HN 0.496 nan 8.310 nan 0.000 0.488 450 H N -0.304 118.735 119.070 -0.051 0.000 2.539 450 H HA 0.542 5.086 4.556 -0.020 0.000 0.267 450 H C 0.029 175.352 175.328 -0.009 0.000 0.982 450 H CA 0.151 56.194 56.048 -0.008 0.000 1.146 450 H CB 0.141 29.907 29.762 0.007 0.000 1.382 450 H HN 0.528 nan 8.280 nan 0.000 0.577 451 A N 0.995 123.566 122.820 -0.415 0.000 2.488 451 A HA 0.529 4.837 4.320 -0.020 0.000 0.295 451 A C -1.438 175.950 177.584 -0.326 0.000 1.045 451 A CA -0.563 51.261 52.037 -0.356 0.000 0.703 451 A CB 1.938 20.699 19.000 -0.398 0.000 1.271 451 A HN 0.093 nan 8.150 nan 0.000 0.400 452 V N 3.933 123.605 119.914 -0.403 0.000 2.604 452 V HA 0.655 4.763 4.120 -0.020 0.000 0.305 452 V C -0.578 175.340 176.094 -0.294 0.000 1.043 452 V CA -0.708 61.355 62.300 -0.396 0.000 0.888 452 V CB 1.955 33.386 31.823 -0.653 0.000 0.995 452 V HN 1.029 nan 8.190 nan 0.000 0.429 453 N N 2.530 121.078 118.700 -0.253 0.000 2.277 453 N HA 0.542 5.270 4.740 -0.020 0.000 0.286 453 N C -0.428 175.000 175.510 -0.137 0.000 1.140 453 N CA -0.397 52.551 53.050 -0.169 0.000 0.799 453 N CB 2.735 41.093 38.487 -0.214 0.000 1.596 453 N HN 0.687 nan 8.380 nan 0.000 0.473 454 G N -0.642 108.116 108.800 -0.071 0.000 2.502 454 G HA2 0.424 4.372 3.960 -0.020 0.000 0.305 454 G HA3 0.424 4.372 3.960 -0.020 0.000 0.305 454 G C 0.766 175.725 174.900 0.097 0.000 1.190 454 G CA -0.582 44.533 45.100 0.025 0.000 0.933 454 G HN 0.657 nan 8.290 nan 0.000 0.503 455 V N -3.057 116.999 119.914 0.237 0.000 3.271 455 V HA 0.689 4.797 4.120 -0.020 0.000 0.327 455 V C 0.520 176.684 176.094 0.116 0.000 1.389 455 V CA 0.166 62.532 62.300 0.110 0.000 1.156 455 V CB -0.953 30.890 31.823 0.032 0.000 1.103 455 V HN 1.401 nan 8.190 nan 0.000 0.453 456 A N -0.174 122.725 122.820 0.132 0.000 2.583 456 A HA 0.622 4.930 4.320 -0.020 0.000 0.298 456 A C 0.563 178.194 177.584 0.078 0.000 1.055 456 A CA -0.103 51.996 52.037 0.103 0.000 0.714 456 A CB 1.045 20.097 19.000 0.086 0.000 1.277 456 A HN 0.109 nan 8.150 nan 0.000 0.406 457 R N 1.262 121.789 120.500 0.046 0.000 2.133 457 R HA -0.202 4.126 4.340 -0.020 0.000 0.245 457 R C 1.744 178.040 176.300 -0.006 0.000 1.137 457 R CA 2.544 58.649 56.100 0.008 0.000 0.947 457 R CB -0.299 30.002 30.300 0.002 0.000 0.865 457 R HN 0.820 nan 8.270 nan 0.000 0.437 458 I N 0.070 120.644 120.570 0.007 0.000 2.286 458 I HA -0.310 3.848 4.170 -0.020 0.000 0.248 458 I C 2.464 178.581 176.117 0.000 0.000 1.115 458 I CA 1.648 62.942 61.300 -0.009 0.000 1.392 458 I CB -0.301 37.694 38.000 -0.009 0.000 1.065 458 I HN 0.419 nan 8.210 nan 0.000 0.418 459 H N -0.039 118.994 119.070 -0.061 0.000 2.326 459 H HA -0.135 4.409 4.556 -0.020 0.000 0.301 459 H C 2.259 177.534 175.328 -0.087 0.000 1.081 459 H CA 1.763 57.766 56.048 -0.076 0.000 1.334 459 H CB 0.201 29.924 29.762 -0.064 0.000 1.385 459 H HN 0.302 nan 8.280 nan 0.000 0.504 460 S N 0.597 116.178 115.700 -0.198 0.000 2.382 460 S HA -0.112 4.346 4.470 -0.020 0.000 0.228 460 S C 1.901 176.367 174.600 -0.224 0.000 1.027 460 S CA 1.095 59.155 58.200 -0.233 0.000 0.991 460 S CB -0.036 63.106 63.200 -0.097 0.000 0.823 460 S HN 0.470 nan 8.310 nan 0.000 0.469 461 E N 1.131 121.223 120.200 -0.179 0.000 2.106 461 E HA 0.019 4.357 4.350 -0.020 0.000 0.192 461 E C 2.005 178.473 176.600 -0.221 0.000 0.984 461 E CA 0.602 56.885 56.400 -0.194 0.000 0.806 461 E CB -0.332 29.288 29.700 -0.135 0.000 0.750 461 E HN 0.520 nan 8.360 nan 0.000 0.458 462 I N 0.873 121.321 120.570 -0.203 0.000 2.286 462 I HA -0.256 3.902 4.170 -0.020 0.000 0.248 462 I C 2.408 178.368 176.117 -0.263 0.000 1.115 462 I CA 0.710 61.893 61.300 -0.195 0.000 1.392 462 I CB -0.265 37.650 38.000 -0.141 0.000 1.065 462 I HN 0.065 nan 8.210 nan 0.000 0.418 463 L N 0.546 121.554 121.223 -0.359 0.000 2.012 463 L HA -0.241 4.087 4.340 -0.020 0.000 0.210 463 L C 2.450 179.152 176.870 -0.279 0.000 1.073 463 L CA 1.653 56.256 54.840 -0.395 0.000 0.748 463 L CB -0.516 41.332 42.059 -0.352 0.000 0.891 463 L HN 0.172 nan 8.230 nan 0.000 0.431 464 K N -0.114 120.077 120.400 -0.349 0.000 2.283 464 K HA -0.137 4.171 4.320 -0.020 0.000 0.202 464 K C 1.861 178.236 176.600 -0.375 0.000 1.048 464 K CA 1.048 57.003 56.287 -0.554 0.000 0.948 464 K CB 0.135 32.086 32.500 -0.915 0.000 0.742 464 K HN 0.260 nan 8.250 nan 0.000 0.458 465 K N -0.981 119.268 120.400 -0.251 0.000 2.348 465 K HA 0.034 4.342 4.320 -0.020 0.000 0.194 465 K C 1.558 178.098 176.600 -0.099 0.000 1.052 465 K CA 0.965 57.160 56.287 -0.152 0.000 1.004 465 K CB 0.830 33.249 32.500 -0.135 0.000 0.873 465 K HN 0.185 nan 8.250 nan 0.000 0.523 466 T N -0.946 113.540 114.554 -0.114 0.000 3.066 466 T HA 0.100 4.438 4.350 -0.020 0.000 0.176 466 T C 1.909 176.584 174.700 -0.041 0.000 0.826 466 T CA 0.003 62.057 62.100 -0.076 0.000 1.280 466 T CB -0.761 68.053 68.868 -0.090 0.000 2.214 466 T HN 0.083 nan 8.240 nan 0.000 0.399 467 I N -0.653 119.855 120.570 -0.103 0.000 2.194 467 I HA -0.014 4.144 4.170 -0.020 0.000 0.246 467 I C 1.569 177.827 176.117 0.235 0.000 1.093 467 I CA 1.855 63.132 61.300 -0.039 0.000 1.355 467 I CB -0.679 37.175 38.000 -0.243 0.000 1.046 467 I HN 0.129 nan 8.210 nan 0.000 0.413 468 F N 1.277 121.284 119.950 0.095 0.000 2.641 468 F HA 0.318 4.833 4.527 -0.020 0.000 0.302 468 F C 2.046 177.912 175.800 0.110 0.000 1.098 468 F CA -0.790 57.326 58.000 0.194 0.000 1.318 468 F CB -0.847 38.253 39.000 0.166 0.000 1.035 468 F HN 0.075 nan 8.300 nan 0.000 0.551 469 K N 0.876 121.382 120.400 0.176 0.000 2.059 469 K HA -0.230 4.078 4.320 -0.020 0.000 0.212 469 K C 1.488 178.119 176.600 0.051 0.000 1.050 469 K CA 2.211 58.540 56.287 0.070 0.000 0.927 469 K CB -0.006 32.505 32.500 0.018 0.000 0.714 469 K HN 0.039 nan 8.250 nan 0.000 0.447 470 D N -0.436 119.961 120.400 -0.005 0.000 2.144 470 D HA -0.153 4.476 4.640 -0.020 0.000 0.199 470 D C 1.737 177.882 176.300 -0.257 0.000 0.984 470 D CA 1.181 55.038 54.000 -0.238 0.000 0.834 470 D CB -0.183 40.369 40.800 -0.413 0.000 0.955 470 D HN 0.250 nan 8.370 nan 0.000 0.465 471 F N -0.425 119.565 119.950 0.065 0.000 2.234 471 F HA -0.095 4.420 4.527 -0.020 0.000 0.296 471 F C 2.265 178.151 175.800 0.143 0.000 1.089 471 F CA 0.348 58.463 58.000 0.191 0.000 1.343 471 F CB -0.653 38.532 39.000 0.309 0.000 1.040 471 F HN -0.040 nan 8.300 nan 0.000 0.498 472 Y N 1.248 121.437 120.300 -0.185 0.000 2.352 472 Y HA -0.136 4.403 4.550 -0.020 0.000 0.292 472 Y C 1.983 177.836 175.900 -0.077 0.000 1.136 472 Y CA 1.421 59.256 58.100 -0.441 0.000 1.227 472 Y CB -0.506 37.569 38.460 -0.643 0.000 0.991 472 Y HN 0.135 nan 8.280 nan 0.000 0.545 473 E N -0.445 119.675 120.200 -0.133 0.000 2.158 473 E HA -0.124 4.215 4.350 -0.020 0.000 0.191 473 E C 1.905 178.557 176.600 0.085 0.000 0.982 473 E CA 0.977 57.320 56.400 -0.096 0.000 0.823 473 E CB -0.109 29.562 29.700 -0.048 0.000 0.766 473 E HN 0.459 nan 8.360 nan 0.000 0.468 474 L N 0.765 122.071 121.223 0.138 0.000 2.162 474 L HA 0.008 4.336 4.340 -0.020 0.000 0.205 474 L C 0.069 177.009 176.870 0.117 0.000 1.086 474 L CA 1.401 56.373 54.840 0.220 0.000 0.778 474 L CB 0.532 42.717 42.059 0.210 0.000 0.928 474 L HN -0.138 nan 8.230 nan 0.000 0.446 475 E N -0.213 120.039 120.200 0.085 0.000 3.117 475 E HA 0.171 4.509 4.350 -0.020 0.000 0.262 475 E C -2.026 174.453 176.600 -0.202 0.000 1.202 475 E CA -1.269 55.063 56.400 -0.114 0.000 0.853 475 E CB 0.863 30.527 29.700 -0.059 0.000 1.426 475 E HN 0.127 nan 8.360 nan 0.000 0.387 476 P HA -0.254 nan 4.420 nan 0.000 0.215 476 P C 1.127 178.473 177.300 0.077 0.000 1.153 476 P CA 1.582 64.557 63.100 -0.209 0.000 0.853 476 P CB 0.019 31.519 31.700 -0.335 0.000 0.788 477 H N -0.116 119.046 119.070 0.153 0.000 2.426 477 H HA -0.064 4.480 4.556 -0.020 0.000 0.298 477 H C 2.057 177.473 175.328 0.146 0.000 1.107 477 H CA 1.504 57.635 56.048 0.138 0.000 1.298 477 H CB -1.038 28.780 29.762 0.094 0.000 1.377 477 H HN 0.107 nan 8.280 nan 0.000 0.519 478 K N 0.103 120.449 120.400 -0.090 0.000 2.097 478 K HA -0.035 4.273 4.320 -0.020 0.000 0.206 478 K C -0.359 176.114 176.600 -0.212 0.000 1.049 478 K CA 0.456 56.673 56.287 -0.117 0.000 0.933 478 K CB -0.010 32.303 32.500 -0.312 0.000 0.717 478 K HN 0.157 nan 8.250 nan 0.000 0.442 479 F N 1.661 121.652 119.950 0.068 0.000 2.438 479 F HA 0.180 4.695 4.527 -0.020 0.000 0.356 479 F C 0.407 176.228 175.800 0.036 0.000 1.099 479 F CA -0.021 58.026 58.000 0.078 0.000 1.185 479 F CB 0.990 40.097 39.000 0.178 0.000 1.115 479 F HN 0.029 nan 8.300 nan 0.000 0.526 480 Q N 1.452 121.297 119.800 0.075 0.000 2.882 480 Q HA 0.453 4.781 4.340 -0.020 0.000 0.315 480 Q C -1.398 174.574 176.000 -0.046 0.000 1.004 480 Q CA -1.486 54.315 55.803 -0.004 0.000 0.777 480 Q CB 2.514 31.195 28.738 -0.094 0.000 1.506 480 Q HN 0.586 nan 8.270 nan 0.000 0.489 481 N N -0.089 118.559 118.700 -0.088 0.000 2.229 481 N HA 0.342 5.070 4.740 -0.020 0.000 0.298 481 N C -1.794 173.618 175.510 -0.163 0.000 1.114 481 N CA -0.504 52.489 53.050 -0.095 0.000 0.776 481 N CB 1.286 39.740 38.487 -0.056 0.000 1.501 481 N HN 0.241 nan 8.380 nan 0.000 0.474 482 K N 2.194 122.501 120.400 -0.156 0.000 2.803 482 K HA 0.225 4.533 4.320 -0.020 0.000 0.229 482 K C -1.177 175.423 176.600 -0.000 0.000 1.084 482 K CA -0.481 55.682 56.287 -0.207 0.000 1.063 482 K CB 0.893 33.035 32.500 -0.596 0.000 1.254 482 K HN 0.660 nan 8.250 nan 0.000 0.551 483 T N 1.993 116.569 114.554 0.035 0.000 2.908 483 T HA 0.045 4.383 4.350 -0.020 0.000 0.301 483 T C 0.816 175.640 174.700 0.207 0.000 1.019 483 T CA 0.450 62.622 62.100 0.121 0.000 1.152 483 T CB 0.266 69.207 68.868 0.122 0.000 0.966 483 T HN 0.339 nan 8.240 nan 0.000 0.540 484 N N 0.620 119.464 118.700 0.240 0.000 2.267 484 N HA 0.398 5.126 4.740 -0.020 0.000 0.226 484 N C 0.485 176.181 175.510 0.310 0.000 1.314 484 N CA -0.191 53.034 53.050 0.292 0.000 0.887 484 N CB 0.395 38.995 38.487 0.189 0.000 1.120 484 N HN 0.753 nan 8.380 nan 0.000 0.440 485 G N -0.648 108.342 108.800 0.316 0.000 2.687 485 G HA2 0.631 4.579 3.960 -0.020 0.000 0.291 485 G HA3 0.631 4.579 3.960 -0.020 0.000 0.291 485 G C -1.397 173.632 174.900 0.216 0.000 1.420 485 G CA -0.722 44.550 45.100 0.286 0.000 0.796 485 G HN 0.602 nan 8.290 nan 0.000 0.485 486 I N -2.542 118.145 120.570 0.194 0.000 2.969 486 I HA 0.763 4.922 4.170 -0.020 0.000 0.307 486 I C -0.354 175.927 176.117 0.274 0.000 1.149 486 I CA -0.984 60.423 61.300 0.178 0.000 1.008 486 I CB 2.427 40.412 38.000 -0.025 0.000 1.232 486 I HN 0.513 nan 8.210 nan 0.000 0.435 487 T N 3.411 118.196 114.554 0.386 0.000 2.780 487 T HA 0.407 4.745 4.350 -0.020 0.000 0.294 487 T C -1.555 173.270 174.700 0.208 0.000 0.949 487 T CA -1.781 60.461 62.100 0.237 0.000 1.074 487 T CB 0.917 69.866 68.868 0.136 0.000 0.910 487 T HN 0.611 nan 8.240 nan 0.000 0.501 488 P HA 0.022 nan 4.420 nan 0.000 0.230 488 P C 1.114 178.389 177.300 -0.041 0.000 1.158 488 P CA 0.462 63.603 63.100 0.069 0.000 0.769 488 P CB 0.326 32.050 31.700 0.040 0.000 0.807 489 R N 0.215 120.647 120.500 -0.114 0.000 2.060 489 R HA 0.034 4.362 4.340 -0.020 0.000 0.225 489 R C 2.677 178.866 176.300 -0.186 0.000 1.155 489 R CA 1.489 57.476 56.100 -0.188 0.000 0.930 489 R CB -1.206 28.993 30.300 -0.169 0.000 0.829 489 R HN 0.031 nan 8.270 nan 0.000 0.433 490 R N -0.769 119.568 120.500 -0.272 0.000 2.075 490 R HA -0.111 4.217 4.340 -0.020 0.000 0.232 490 R C 1.106 177.048 176.300 -0.596 0.000 1.126 490 R CA 1.575 57.362 56.100 -0.522 0.000 0.963 490 R CB -0.188 29.640 30.300 -0.787 0.000 0.858 490 R HN 0.291 nan 8.270 nan 0.000 0.435 491 W N 0.012 121.273 121.300 -0.065 0.000 3.405 491 W HA 0.128 4.775 4.660 -0.021 0.000 0.300 491 W C 0.924 177.417 176.519 -0.042 0.000 1.286 491 W CA -0.661 56.646 57.345 -0.064 0.000 1.762 491 W CB 0.382 29.810 29.460 -0.053 0.000 1.087 491 W HN 0.245 nan 8.180 nan 0.000 0.703 492 L N -2.482 118.795 121.223 0.090 0.000 2.604 492 L HA 0.168 4.496 4.340 -0.020 0.000 0.150 492 L C 1.757 178.648 176.870 0.036 0.000 1.292 492 L CA 0.721 55.615 54.840 0.089 0.000 0.977 492 L CB -0.933 41.209 42.059 0.139 0.000 1.943 492 L HN -0.263 nan 8.230 nan 0.000 0.508 493 V N 1.070 120.986 119.914 0.003 0.000 2.282 493 V HA -0.303 3.805 4.120 -0.020 0.000 0.249 493 V C 2.506 178.574 176.094 -0.043 0.000 1.057 493 V CA 2.562 64.847 62.300 -0.024 0.000 1.032 493 V CB -0.739 31.022 31.823 -0.104 0.000 0.645 493 V HN 0.430 nan 8.190 nan 0.000 0.447 494 L N 0.306 121.473 121.223 -0.094 0.000 2.007 494 L HA -0.156 4.172 4.340 -0.020 0.000 0.205 494 L C 2.609 179.412 176.870 -0.111 0.000 1.073 494 L CA 2.429 57.195 54.840 -0.123 0.000 0.744 494 L CB -0.733 41.198 42.059 -0.213 0.000 0.898 494 L HN 0.668 nan 8.230 nan 0.000 0.435 495 C N -2.549 116.675 119.300 -0.127 0.000 2.481 495 C HA 0.066 4.514 4.460 -0.020 0.000 0.275 495 C C 1.291 176.263 174.990 -0.030 0.000 1.419 495 C CA -0.248 58.716 59.018 -0.090 0.000 1.773 495 C CB -1.699 25.985 27.740 -0.093 0.000 1.862 495 C HN 0.556 nan 8.230 nan 0.000 0.530 496 N N 1.237 119.933 118.700 -0.006 0.000 2.765 496 N HA 0.255 4.983 4.740 -0.020 0.000 0.277 496 N C -1.817 173.706 175.510 0.022 0.000 1.750 496 N CA -1.240 51.818 53.050 0.014 0.000 0.827 496 N CB 1.203 39.707 38.487 0.029 0.000 1.200 496 N HN 0.199 nan 8.380 nan 0.000 0.494 497 P HA -0.101 nan 4.420 nan 0.000 0.216 497 P C 1.451 178.770 177.300 0.031 0.000 1.150 497 P CA 1.104 64.217 63.100 0.022 0.000 0.837 497 P CB 0.256 31.962 31.700 0.011 0.000 0.786 498 G N 0.885 109.699 108.800 0.024 0.000 2.459 498 G HA2 -0.234 3.714 3.960 -0.020 0.000 0.217 498 G HA3 -0.234 3.714 3.960 -0.020 0.000 0.217 498 G C 1.663 176.578 174.900 0.025 0.000 1.183 498 G CA 0.376 45.489 45.100 0.022 0.000 0.776 498 G HN 0.224 nan 8.290 nan 0.000 0.552 499 L N 0.597 121.834 121.223 0.024 0.000 2.046 499 L HA -0.072 4.256 4.340 -0.020 0.000 0.208 499 L C 3.286 180.184 176.870 0.046 0.000 1.077 499 L CA 1.611 56.465 54.840 0.022 0.000 0.747 499 L CB -0.458 41.614 42.059 0.021 0.000 0.896 499 L HN 0.344 nan 8.230 nan 0.000 0.432 500 A N 0.448 123.314 122.820 0.076 0.000 1.933 500 A HA -0.259 4.050 4.320 -0.020 0.000 0.218 500 A C 2.025 179.693 177.584 0.139 0.000 1.175 500 A CA 1.793 53.920 52.037 0.149 0.000 0.628 500 A CB -0.455 18.638 19.000 0.155 0.000 0.814 500 A HN 0.733 nan 8.150 nan 0.000 0.444 501 E N 0.667 120.918 120.200 0.085 0.000 2.076 501 E HA -0.141 4.197 4.350 -0.020 0.000 0.190 501 E C 1.931 178.566 176.600 0.058 0.000 0.979 501 E CA 1.239 57.681 56.400 0.071 0.000 0.807 501 E CB -0.753 28.976 29.700 0.047 0.000 0.761 501 E HN 0.733 nan 8.360 nan 0.000 0.454 502 I N -0.591 120.015 120.570 0.059 0.000 2.286 502 I HA -0.153 4.005 4.170 -0.020 0.000 0.248 502 I C 2.380 178.545 176.117 0.080 0.000 1.115 502 I CA 1.125 62.476 61.300 0.085 0.000 1.392 502 I CB -0.391 37.675 38.000 0.110 0.000 1.065 502 I HN 0.045 nan 8.210 nan 0.000 0.418 503 I N 1.892 122.485 120.570 0.038 0.000 2.315 503 I HA -0.207 3.951 4.170 -0.020 0.000 0.248 503 I C 2.990 179.010 176.117 -0.162 0.000 1.117 503 I CA 1.287 62.511 61.300 -0.127 0.000 1.404 503 I CB -0.460 37.349 38.000 -0.320 0.000 1.071 503 I HN 0.333 nan 8.210 nan 0.000 0.419 504 A N 1.381 124.203 122.820 0.003 0.000 1.930 504 A HA -0.216 4.092 4.320 -0.020 0.000 0.217 504 A C 2.176 179.769 177.584 0.016 0.000 1.175 504 A CA 1.675 53.770 52.037 0.097 0.000 0.627 504 A CB -0.641 18.460 19.000 0.170 0.000 0.815 504 A HN 0.629 nan 8.150 nan 0.000 0.443 505 E N -0.755 119.439 120.200 -0.010 0.000 2.204 505 E HA -0.184 4.154 4.350 -0.020 0.000 0.194 505 E C 1.815 178.368 176.600 -0.079 0.000 0.989 505 E CA 0.878 57.264 56.400 -0.023 0.000 0.824 505 E CB -0.152 29.546 29.700 -0.005 0.000 0.756 505 E HN 0.376 nan 8.360 nan 0.000 0.477 506 R N 0.934 121.317 120.500 -0.195 0.000 2.075 506 R HA 0.143 4.471 4.340 -0.020 0.000 0.220 506 R C 2.442 178.617 176.300 -0.208 0.000 1.118 506 R CA 1.322 57.218 56.100 -0.341 0.000 0.986 506 R CB -0.389 29.355 30.300 -0.926 0.000 0.884 506 R HN 0.486 nan 8.270 nan 0.000 0.439 507 I N -3.386 117.076 120.570 -0.181 0.000 4.154 507 I HA 0.441 4.599 4.170 -0.020 0.000 0.334 507 I C 0.458 176.592 176.117 0.029 0.000 1.371 507 I CA 0.144 61.402 61.300 -0.070 0.000 1.110 507 I CB 0.841 38.778 38.000 -0.106 0.000 1.085 507 I HN 0.177 nan 8.210 nan 0.000 0.398 508 G N 2.063 110.896 108.800 0.055 0.000 2.627 508 G HA2 -0.203 3.745 3.960 -0.020 0.000 0.214 508 G HA3 -0.203 3.745 3.960 -0.020 0.000 0.214 508 G C -0.102 174.923 174.900 0.210 0.000 1.331 508 G CA 0.152 45.313 45.100 0.101 0.000 0.891 508 G HN 0.413 nan 8.290 nan 0.000 0.539 509 E N -0.143 120.135 120.200 0.129 0.000 2.526 509 E HA 0.131 4.469 4.350 -0.020 0.000 0.208 509 E C 1.752 178.288 176.600 -0.106 0.000 0.997 509 E CA 0.178 56.590 56.400 0.020 0.000 0.961 509 E CB 0.415 30.111 29.700 -0.008 0.000 1.030 509 E HN 0.625 nan 8.360 nan 0.000 0.483 510 E N 0.326 120.542 120.200 0.026 0.000 2.333 510 E HA -0.203 4.135 4.350 -0.020 0.000 0.198 510 E C 1.511 178.109 176.600 -0.003 0.000 1.007 510 E CA 0.899 57.305 56.400 0.010 0.000 0.845 510 E CB -0.175 29.554 29.700 0.049 0.000 0.766 510 E HN 0.504 nan 8.360 nan 0.000 0.507 511 Y N -0.593 119.700 120.300 -0.012 0.000 2.293 511 Y HA -0.057 4.482 4.550 -0.019 0.000 0.291 511 Y C 1.866 177.734 175.900 -0.053 0.000 1.137 511 Y CA 0.525 58.611 58.100 -0.023 0.000 1.202 511 Y CB -0.621 37.827 38.460 -0.020 0.000 0.990 511 Y HN -0.104 nan 8.280 nan 0.000 0.537 512 I N 1.142 121.230 120.570 -0.804 0.000 2.399 512 I HA -0.260 3.898 4.170 -0.020 0.000 0.254 512 I C 1.373 177.250 176.117 -0.401 0.000 1.146 512 I CA 1.894 62.770 61.300 -0.706 0.000 1.412 512 I CB -0.425 37.025 38.000 -0.916 0.000 1.076 512 I HN 0.506 nan 8.210 nan 0.000 0.432 513 S N -2.062 113.509 115.700 -0.215 0.000 2.902 513 S HA 0.259 4.717 4.470 -0.020 0.000 0.250 513 S C -0.064 174.521 174.600 -0.024 0.000 1.046 513 S CA -0.598 57.547 58.200 -0.091 0.000 1.069 513 S CB 0.379 63.572 63.200 -0.011 0.000 0.967 513 S HN 0.273 nan 8.310 nan 0.000 0.530 514 D N 0.697 121.093 120.400 -0.008 0.000 3.361 514 D HA 0.165 4.793 4.640 -0.020 0.000 0.246 514 D C 0.369 176.711 176.300 0.070 0.000 1.395 514 D CA -0.312 53.705 54.000 0.028 0.000 0.839 514 D CB 0.293 41.113 40.800 0.034 0.000 1.469 514 D HN 0.170 nan 8.370 nan 0.000 0.636 515 L N 0.997 122.262 121.223 0.070 0.000 2.261 515 L HA -0.033 4.295 4.340 -0.020 0.000 0.216 515 L C 1.455 178.373 176.870 0.079 0.000 1.114 515 L CA 1.641 56.547 54.840 0.111 0.000 0.777 515 L CB -0.045 42.072 42.059 0.096 0.000 0.910 515 L HN 0.229 nan 8.230 nan 0.000 0.440 516 D N -0.847 119.578 120.400 0.043 0.000 2.263 516 D HA -0.187 4.441 4.640 -0.020 0.000 0.208 516 D C 1.936 178.255 176.300 0.032 0.000 0.971 516 D CA 0.703 54.716 54.000 0.021 0.000 0.867 516 D CB 0.052 40.853 40.800 0.001 0.000 0.929 516 D HN 0.539 nan 8.370 nan 0.000 0.492 517 Q N -0.094 119.740 119.800 0.057 0.000 2.437 517 Q HA -0.020 4.308 4.340 -0.020 0.000 0.210 517 Q C 2.136 178.151 176.000 0.025 0.000 0.972 517 Q CA 0.167 56.002 55.803 0.055 0.000 0.903 517 Q CB 0.099 28.893 28.738 0.095 0.000 0.967 517 Q HN 0.384 nan 8.270 nan 0.000 0.486 518 L N 0.012 121.246 121.223 0.018 0.000 2.353 518 L HA -0.176 4.152 4.340 -0.020 0.000 0.220 518 L C 2.396 179.262 176.870 -0.006 0.000 1.133 518 L CA 0.636 55.455 54.840 -0.034 0.000 0.798 518 L CB -0.258 41.795 42.059 -0.009 0.000 0.922 518 L HN 0.174 nan 8.230 nan 0.000 0.445 519 R N 0.989 121.497 120.500 0.013 0.000 2.103 519 R HA -0.207 4.121 4.340 -0.020 0.000 0.242 519 R C 2.091 178.406 176.300 0.025 0.000 1.142 519 R CA 1.525 57.638 56.100 0.021 0.000 0.960 519 R CB -0.061 30.248 30.300 0.015 0.000 0.858 519 R HN 0.240 nan 8.270 nan 0.000 0.439 520 K N 0.077 120.488 120.400 0.019 0.000 2.442 520 K HA -0.128 4.180 4.320 -0.020 0.000 0.199 520 K C 1.552 178.204 176.600 0.087 0.000 1.044 520 K CA 0.896 57.207 56.287 0.040 0.000 0.941 520 K CB -0.072 32.449 32.500 0.035 0.000 0.759 520 K HN 0.285 nan 8.250 nan 0.000 0.472 521 L N 0.656 121.901 121.223 0.037 0.000 2.552 521 L HA -0.047 4.281 4.340 -0.020 0.000 0.227 521 L C 1.863 178.834 176.870 0.168 0.000 1.146 521 L CA 0.247 55.115 54.840 0.045 0.000 0.858 521 L CB -0.210 41.836 42.059 -0.022 0.000 0.969 521 L HN 0.192 nan 8.230 nan 0.000 0.451 522 L N -0.884 120.405 121.223 0.110 0.000 2.093 522 L HA -0.171 4.157 4.340 -0.020 0.000 0.208 522 L C 2.485 179.392 176.870 0.063 0.000 1.085 522 L CA 0.942 55.834 54.840 0.087 0.000 0.755 522 L CB -0.365 41.722 42.059 0.046 0.000 0.904 522 L HN 0.214 nan 8.230 nan 0.000 0.435 523 S N -1.115 114.598 115.700 0.021 0.000 2.493 523 S HA -0.162 4.296 4.470 -0.020 0.000 0.243 523 S C 1.064 175.467 174.600 -0.329 0.000 0.991 523 S CA 1.040 59.147 58.200 -0.156 0.000 0.957 523 S CB -0.259 62.789 63.200 -0.253 0.000 0.756 523 S HN 0.412 nan 8.310 nan 0.000 0.521 524 Y N -1.021 119.247 120.300 -0.053 0.000 2.531 524 Y HA 0.351 4.898 4.550 -0.004 0.000 0.249 524 Y C 1.712 177.687 175.900 0.126 0.000 1.168 524 Y CA -0.607 57.483 58.100 -0.017 0.000 1.226 524 Y CB -0.090 38.229 38.460 -0.234 0.000 1.177 524 Y HN 0.073 nan 8.280 nan 0.000 0.527 525 V N 0.513 120.541 119.914 0.189 0.000 2.688 525 V HA -0.227 3.881 4.120 -0.020 0.000 0.256 525 V C 0.816 176.978 176.094 0.114 0.000 1.084 525 V CA 2.238 64.633 62.300 0.159 0.000 1.103 525 V CB -0.044 31.833 31.823 0.090 0.000 0.688 525 V HN 0.366 nan 8.190 nan 0.000 0.480 526 D N -0.772 119.676 120.400 0.080 0.000 2.440 526 D HA 0.131 4.759 4.640 -0.020 0.000 0.216 526 D C 0.183 176.522 176.300 0.065 0.000 1.150 526 D CA -0.059 53.973 54.000 0.054 0.000 0.832 526 D CB 0.199 41.009 40.800 0.017 0.000 0.992 526 D HN 0.429 nan 8.370 nan 0.000 0.502 527 D N 1.884 122.357 120.400 0.123 0.000 2.339 527 D HA -0.001 4.627 4.640 -0.020 0.000 0.241 527 D C 1.228 177.626 176.300 0.164 0.000 1.183 527 D CA -0.030 54.059 54.000 0.148 0.000 0.859 527 D CB 1.195 42.147 40.800 0.254 0.000 1.067 527 D HN -0.100 nan 8.370 nan 0.000 0.484 528 E N 2.858 123.120 120.200 0.103 0.000 2.209 528 E HA -0.181 4.157 4.350 -0.020 0.000 0.196 528 E C 1.561 178.216 176.600 0.092 0.000 0.993 528 E CA 0.814 57.262 56.400 0.079 0.000 0.819 528 E CB -0.039 29.691 29.700 0.049 0.000 0.745 528 E HN 0.616 nan 8.360 nan 0.000 0.477 529 A N 1.064 123.961 122.820 0.127 0.000 1.854 529 A HA -0.132 4.176 4.320 -0.020 0.000 0.214 529 A C 2.023 179.713 177.584 0.176 0.000 1.192 529 A CA 0.923 53.037 52.037 0.129 0.000 0.611 529 A CB -0.741 18.339 19.000 0.134 0.000 0.832 529 A HN 0.215 nan 8.150 nan 0.000 0.442 530 F N 0.652 120.636 119.950 0.057 0.000 2.134 530 F HA -0.123 4.392 4.527 -0.019 0.000 0.299 530 F C 1.974 177.787 175.800 0.022 0.000 1.097 530 F CA 1.175 59.191 58.000 0.027 0.000 1.264 530 F CB -0.372 38.666 39.000 0.064 0.000 1.001 530 F HN 0.167 nan 8.300 nan 0.000 0.479 531 I N -0.083 120.513 120.570 0.043 0.000 2.286 531 I HA -0.304 3.854 4.170 -0.020 0.000 0.248 531 I C 2.753 178.817 176.117 -0.089 0.000 1.115 531 I CA 1.448 62.709 61.300 -0.064 0.000 1.392 531 I CB -0.481 37.529 38.000 0.018 0.000 1.065 531 I HN 0.075 nan 8.210 nan 0.000 0.418 532 R N 0.848 121.326 120.500 -0.036 0.000 2.075 532 R HA -0.178 4.150 4.340 -0.020 0.000 0.232 532 R C 1.665 177.925 176.300 -0.066 0.000 1.126 532 R CA 1.837 57.915 56.100 -0.037 0.000 0.963 532 R CB -0.228 30.070 30.300 -0.004 0.000 0.858 532 R HN 0.276 nan 8.270 nan 0.000 0.435 533 D N 0.237 120.589 120.400 -0.080 0.000 2.117 533 D HA -0.105 4.523 4.640 -0.020 0.000 0.198 533 D C 2.008 178.201 176.300 -0.179 0.000 0.982 533 D CA 1.074 55.018 54.000 -0.095 0.000 0.828 533 D CB -0.121 40.661 40.800 -0.031 0.000 0.967 533 D HN 0.066 nan 8.370 nan 0.000 0.464 534 V N 1.418 121.127 119.914 -0.341 0.000 2.343 534 V HA -0.240 3.868 4.120 -0.020 0.000 0.247 534 V C 2.501 178.500 176.094 -0.158 0.000 1.051 534 V CA 1.884 63.985 62.300 -0.332 0.000 1.036 534 V CB -0.767 30.769 31.823 -0.478 0.000 0.654 534 V HN 0.188 nan 8.190 nan 0.000 0.451 535 A N -0.672 122.074 122.820 -0.124 0.000 1.969 535 A HA -0.211 4.097 4.320 -0.020 0.000 0.218 535 A C 2.365 179.912 177.584 -0.062 0.000 1.169 535 A CA 1.883 53.877 52.037 -0.070 0.000 0.635 535 A CB -0.421 18.541 19.000 -0.065 0.000 0.810 535 A HN 0.486 nan 8.150 nan 0.000 0.445 536 K N -0.085 120.278 120.400 -0.063 0.000 2.057 536 K HA -0.059 4.249 4.320 -0.020 0.000 0.206 536 K C 1.842 178.421 176.600 -0.034 0.000 1.050 536 K CA 1.475 57.737 56.287 -0.042 0.000 0.935 536 K CB -0.235 32.246 32.500 -0.033 0.000 0.715 536 K HN 0.248 nan 8.250 nan 0.000 0.439 537 V N 1.685 121.573 119.914 -0.042 0.000 2.295 537 V HA -0.242 3.866 4.120 -0.020 0.000 0.246 537 V C 2.406 178.489 176.094 -0.018 0.000 1.049 537 V CA 1.975 64.259 62.300 -0.026 0.000 1.024 537 V CB -0.420 31.382 31.823 -0.036 0.000 0.648 537 V HN 0.347 nan 8.190 nan 0.000 0.447 538 K N -0.218 120.166 120.400 -0.027 0.000 2.063 538 K HA -0.189 4.119 4.320 -0.020 0.000 0.208 538 K C 2.214 178.792 176.600 -0.037 0.000 1.048 538 K CA 1.451 57.727 56.287 -0.017 0.000 0.928 538 K CB -0.212 32.286 32.500 -0.004 0.000 0.713 538 K HN 0.346 nan 8.250 nan 0.000 0.442 539 Q N 0.172 119.943 119.800 -0.049 0.000 2.297 539 Q HA -0.118 4.210 4.340 -0.020 0.000 0.204 539 Q C 1.756 177.744 176.000 -0.019 0.000 0.962 539 Q CA 1.152 56.917 55.803 -0.063 0.000 0.879 539 Q CB 0.171 28.872 28.738 -0.062 0.000 0.947 539 Q HN 0.497 nan 8.270 nan 0.000 0.462 540 E N 0.610 120.810 120.200 -0.000 0.000 2.046 540 E HA -0.102 4.236 4.350 -0.020 0.000 0.190 540 E C 1.676 178.309 176.600 0.055 0.000 0.982 540 E CA 0.722 57.137 56.400 0.025 0.000 0.800 540 E CB 0.035 29.746 29.700 0.019 0.000 0.756 540 E HN 0.460 nan 8.360 nan 0.000 0.449 541 N N 0.465 119.196 118.700 0.051 0.000 2.166 541 N HA -0.163 4.565 4.740 -0.020 0.000 0.186 541 N C 1.650 177.259 175.510 0.165 0.000 1.019 541 N CA 0.840 53.944 53.050 0.089 0.000 0.856 541 N CB 0.017 38.538 38.487 0.057 0.000 0.993 541 N HN 0.025 nan 8.380 nan 0.000 0.426 542 K N 0.486 120.952 120.400 0.109 0.000 2.097 542 K HA -0.084 4.224 4.320 -0.020 0.000 0.205 542 K C 1.853 178.626 176.600 0.288 0.000 1.050 542 K CA 0.685 57.076 56.287 0.173 0.000 0.938 542 K CB -0.064 32.259 32.500 -0.295 0.000 0.718 542 K HN 0.047 nan 8.250 nan 0.000 0.442 543 L N 1.749 123.066 121.223 0.156 0.000 2.027 543 L HA -0.142 4.186 4.340 -0.020 0.000 0.206 543 L C 2.291 179.266 176.870 0.177 0.000 1.074 543 L CA 1.729 56.658 54.840 0.149 0.000 0.745 543 L CB -0.333 41.778 42.059 0.087 0.000 0.898 543 L HN 0.028 nan 8.230 nan 0.000 0.433 544 K N -1.530 118.975 120.400 0.175 0.000 2.057 544 K HA -0.250 4.058 4.320 -0.020 0.000 0.207 544 K C 2.235 178.983 176.600 0.247 0.000 1.049 544 K CA 1.632 58.025 56.287 0.176 0.000 0.931 544 K CB -0.326 32.262 32.500 0.147 0.000 0.714 544 K HN 0.214 nan 8.250 nan 0.000 0.440 545 F N 1.175 121.221 119.950 0.160 0.000 2.186 545 F HA -0.040 4.475 4.527 -0.020 0.000 0.299 545 F C 1.978 177.911 175.800 0.223 0.000 1.090 545 F CA 1.207 59.314 58.000 0.179 0.000 1.307 545 F CB -0.412 38.690 39.000 0.169 0.000 1.019 545 F HN 0.087 nan 8.300 nan 0.000 0.489 546 A N 0.127 123.066 122.820 0.199 0.000 1.969 546 A HA -0.008 4.300 4.320 -0.020 0.000 0.218 546 A C 2.392 179.989 177.584 0.023 0.000 1.169 546 A CA 1.575 53.657 52.037 0.075 0.000 0.635 546 A CB -1.413 17.698 19.000 0.186 0.000 0.810 546 A HN 0.443 nan 8.150 nan 0.000 0.445 547 A N -1.328 121.537 122.820 0.076 0.000 1.898 547 A HA -0.056 4.252 4.320 -0.020 0.000 0.216 547 A C 2.125 179.729 177.584 0.034 0.000 1.181 547 A CA 1.527 53.602 52.037 0.062 0.000 0.620 547 A CB -0.807 18.245 19.000 0.086 0.000 0.819 547 A HN 0.779 nan 8.150 nan 0.000 0.442 548 Y N 0.326 120.575 120.300 -0.085 0.000 2.181 548 Y HA -0.130 4.408 4.550 -0.020 0.000 0.288 548 Y C 1.867 177.691 175.900 -0.126 0.000 1.146 548 Y CA 1.795 59.834 58.100 -0.101 0.000 1.164 548 Y CB -0.255 38.142 38.460 -0.106 0.000 0.982 548 Y HN 0.192 nan 8.280 nan 0.000 0.515 549 L N 0.374 121.463 121.223 -0.223 0.000 2.141 549 L HA -0.162 4.166 4.340 -0.020 0.000 0.209 549 L C 2.486 179.291 176.870 -0.108 0.000 1.094 549 L CA 1.848 56.558 54.840 -0.217 0.000 0.763 549 L CB -0.466 41.415 42.059 -0.297 0.000 0.908 549 L HN 0.435 nan 8.230 nan 0.000 0.437 550 E N 0.062 120.210 120.200 -0.086 0.000 2.112 550 E HA -0.228 4.110 4.350 -0.020 0.000 0.190 550 E C 2.268 178.826 176.600 -0.070 0.000 0.979 550 E CA 0.712 57.093 56.400 -0.031 0.000 0.814 550 E CB -0.196 29.515 29.700 0.018 0.000 0.762 550 E HN 0.215 nan 8.360 nan 0.000 0.460 551 R N 0.466 120.895 120.500 -0.118 0.000 2.061 551 R HA -0.117 4.211 4.340 -0.020 0.000 0.230 551 R C 1.971 178.136 176.300 -0.224 0.000 1.140 551 R CA 1.804 57.821 56.100 -0.138 0.000 0.940 551 R CB -0.097 30.129 30.300 -0.124 0.000 0.839 551 R HN 0.223 nan 8.270 nan 0.000 0.429 552 E N -0.764 119.198 120.200 -0.397 0.000 2.216 552 E HA -0.142 4.196 4.350 -0.020 0.000 0.192 552 E C 0.864 177.032 176.600 -0.720 0.000 0.988 552 E CA 1.099 57.134 56.400 -0.609 0.000 0.834 552 E CB 0.196 29.331 29.700 -0.941 0.000 0.772 552 E HN 0.539 nan 8.360 nan 0.000 0.479 553 Y N -0.531 119.646 120.300 -0.205 0.000 2.610 553 Y HA 0.228 4.766 4.550 -0.020 0.000 0.254 553 Y C 0.129 175.989 175.900 -0.067 0.000 1.110 553 Y CA -0.654 57.381 58.100 -0.108 0.000 1.238 553 Y CB 0.840 39.243 38.460 -0.094 0.000 1.322 553 Y HN -0.284 nan 8.280 nan 0.000 0.547 554 K N 0.833 121.255 120.400 0.035 0.000 3.148 554 K HA -0.127 4.181 4.320 -0.020 0.000 0.267 554 K C -0.968 175.672 176.600 0.067 0.000 0.996 554 K CA 0.332 56.640 56.287 0.035 0.000 0.737 554 K CB -1.820 30.696 32.500 0.027 0.000 1.308 554 K HN 0.121 nan 8.250 nan 0.000 0.470 555 V N 1.694 121.646 119.914 0.063 0.000 2.384 555 V HA 0.192 4.300 4.120 -0.020 0.000 0.287 555 V C 0.524 176.651 176.094 0.056 0.000 1.020 555 V CA -0.782 61.548 62.300 0.049 0.000 0.850 555 V CB 1.606 33.430 31.823 0.002 0.000 0.987 555 V HN 0.336 nan 8.190 nan 0.000 0.436 556 H N 6.743 125.804 119.070 -0.015 0.000 2.552 556 H HA 0.605 5.149 4.556 -0.020 0.000 0.311 556 H C -0.835 174.483 175.328 -0.016 0.000 1.071 556 H CA -0.511 55.531 56.048 -0.010 0.000 1.307 556 H CB 1.354 31.116 29.762 0.000 0.000 1.416 556 H HN 0.721 nan 8.280 nan 0.000 0.464 557 I N 2.263 122.529 120.570 -0.507 0.000 2.569 557 I HA 0.316 4.474 4.170 -0.020 0.000 0.296 557 I C -0.377 175.489 176.117 -0.419 0.000 1.028 557 I CA -1.289 59.748 61.300 -0.437 0.000 1.082 557 I CB 1.897 39.756 38.000 -0.235 0.000 1.264 557 I HN 0.379 nan 8.210 nan 0.000 0.429 558 N N 7.093 125.640 118.700 -0.255 0.000 2.405 558 N HA 0.258 4.986 4.740 -0.020 0.000 0.260 558 N C -1.613 173.987 175.510 0.150 0.000 1.152 558 N CA -2.352 50.666 53.050 -0.052 0.000 0.948 558 N CB 0.895 39.374 38.487 -0.014 0.000 1.111 558 N HN 0.475 nan 8.380 nan 0.000 0.485 559 P HA -0.035 nan 4.420 nan 0.000 0.229 559 P C -0.364 176.921 177.300 -0.026 0.000 1.160 559 P CA 1.002 64.181 63.100 0.131 0.000 0.777 559 P CB 0.235 31.998 31.700 0.104 0.000 0.814 560 N N -0.205 118.504 118.700 0.015 0.000 2.295 560 N HA 0.057 4.785 4.740 -0.020 0.000 0.221 560 N C 0.077 175.587 175.510 0.001 0.000 1.129 560 N CA -0.264 52.782 53.050 -0.006 0.000 0.836 560 N CB 0.141 38.641 38.487 0.021 0.000 1.040 560 N HN 0.178 nan 8.380 nan 0.000 0.494 561 S N 0.019 115.713 115.700 -0.011 0.000 2.664 561 S HA 0.504 4.962 4.470 -0.020 0.000 0.304 561 S C -0.445 174.052 174.600 -0.171 0.000 1.099 561 S CA -1.104 57.070 58.200 -0.044 0.000 1.003 561 S CB 1.505 64.724 63.200 0.032 0.000 1.092 561 S HN 0.077 nan 8.310 nan 0.000 0.525 562 L N 1.272 122.256 121.223 -0.399 0.000 2.313 562 L HA 0.523 4.851 4.340 -0.020 0.000 0.282 562 L C -1.177 175.614 176.870 -0.132 0.000 1.092 562 L CA -0.673 53.748 54.840 -0.699 0.000 0.831 562 L CB -0.989 40.254 42.059 -1.360 0.000 1.159 562 L HN 0.585 nan 8.230 nan 0.000 0.442 563 F N 3.872 123.675 119.950 -0.246 0.000 2.439 563 F HA 0.241 4.757 4.527 -0.019 0.000 0.356 563 F C 0.586 176.304 175.800 -0.137 0.000 1.161 563 F CA -0.619 57.299 58.000 -0.136 0.000 1.151 563 F CB -0.112 38.853 39.000 -0.059 0.000 1.222 563 F HN 0.579 nan 8.300 nan 0.000 0.558 564 D N 4.031 124.436 120.400 0.009 0.000 2.359 564 D HA 0.386 5.014 4.640 -0.020 0.000 0.230 564 D C -1.003 175.243 176.300 -0.090 0.000 1.118 564 D CA -0.109 53.849 54.000 -0.070 0.000 0.844 564 D CB 1.022 41.762 40.800 -0.099 0.000 1.059 564 D HN 0.147 nan 8.370 nan 0.000 0.493 565 V N 4.366 124.210 119.914 -0.117 0.000 2.487 565 V HA 0.390 4.498 4.120 -0.020 0.000 0.298 565 V C -0.154 175.799 176.094 -0.235 0.000 1.028 565 V CA -0.885 61.334 62.300 -0.136 0.000 0.860 565 V CB 1.612 33.448 31.823 0.021 0.000 0.991 565 V HN 0.524 nan 8.190 nan 0.000 0.427 566 Q N 3.726 123.403 119.800 -0.206 0.000 2.464 566 Q HA 0.625 4.953 4.340 -0.020 0.000 0.256 566 Q C -1.305 174.530 176.000 -0.274 0.000 1.020 566 Q CA -0.448 55.219 55.803 -0.228 0.000 0.716 566 Q CB 1.843 30.473 28.738 -0.181 0.000 1.230 566 Q HN 0.838 nan 8.270 nan 0.000 0.494 567 V N 1.512 121.250 119.914 -0.294 0.000 2.444 567 V HA 0.866 4.974 4.120 -0.020 0.000 0.294 567 V C -0.919 174.878 176.094 -0.494 0.000 1.022 567 V CA -0.551 61.367 62.300 -0.637 0.000 0.850 567 V CB 1.163 32.335 31.823 -1.084 0.000 0.992 567 V HN 0.793 nan 8.190 nan 0.000 0.426 568 K N 2.491 122.656 120.400 -0.391 0.000 2.870 568 K HA 0.445 4.753 4.320 -0.020 0.000 0.290 568 K C -1.183 175.424 176.600 0.012 0.000 1.070 568 K CA -1.199 55.051 56.287 -0.063 0.000 0.843 568 K CB 0.874 33.335 32.500 -0.066 0.000 1.475 568 K HN 0.425 nan 8.250 nan 0.000 0.359 569 R N 0.869 121.448 120.500 0.131 0.000 2.638 569 R HA 0.109 4.437 4.340 -0.020 0.000 0.268 569 R C 0.293 176.638 176.300 0.074 0.000 1.006 569 R CA -0.300 55.890 56.100 0.150 0.000 1.088 569 R CB -0.252 30.193 30.300 0.242 0.000 0.950 569 R HN 0.465 nan 8.270 nan 0.000 0.419 570 I N 3.999 124.572 120.570 0.005 0.000 2.517 570 I HA 0.087 4.245 4.170 -0.020 0.000 0.285 570 I C 0.534 176.523 176.117 -0.213 0.000 1.106 570 I CA 0.300 61.548 61.300 -0.087 0.000 1.402 570 I CB -0.511 37.433 38.000 -0.093 0.000 1.399 570 I HN 0.451 nan 8.210 nan 0.000 0.535 571 H N 2.727 121.694 119.070 -0.171 0.000 3.016 571 H HA 0.250 4.794 4.556 -0.020 0.000 0.362 571 H C 0.472 175.666 175.328 -0.224 0.000 1.233 571 H CA -0.534 55.437 56.048 -0.127 0.000 1.124 571 H CB 1.907 31.511 29.762 -0.263 0.000 1.850 571 H HN 0.524 nan 8.280 nan 0.000 0.549 572 E N 0.651 120.872 120.200 0.036 0.000 2.072 572 E HA -0.179 4.159 4.350 -0.020 0.000 0.190 572 E C 1.221 177.507 176.600 -0.524 0.000 0.982 572 E CA 1.049 57.372 56.400 -0.128 0.000 0.803 572 E CB 0.092 29.852 29.700 0.099 0.000 0.755 572 E HN 0.610 nan 8.360 nan 0.000 0.453 573 Y N 0.822 120.532 120.300 -0.982 0.000 2.421 573 Y HA -0.017 4.521 4.550 -0.020 0.000 0.292 573 Y C 1.454 177.115 175.900 -0.398 0.000 1.136 573 Y CA 0.863 58.318 58.100 -1.076 0.000 1.255 573 Y CB -0.034 37.870 38.460 -0.925 0.000 0.991 573 Y HN -0.207 nan 8.280 nan 0.000 0.552 574 K N 0.737 120.684 120.400 -0.755 0.000 2.418 574 K HA 0.092 4.400 4.320 -0.020 0.000 0.195 574 K C 0.087 176.519 176.600 -0.280 0.000 1.035 574 K CA 0.369 56.323 56.287 -0.555 0.000 1.003 574 K CB 0.015 32.184 32.500 -0.552 0.000 0.793 574 K HN 0.268 nan 8.250 nan 0.000 0.494 575 R N 0.680 121.042 120.500 -0.229 0.000 3.264 575 R HA -0.227 4.101 4.340 -0.020 0.000 0.251 575 R C 0.312 176.536 176.300 -0.128 0.000 0.971 575 R CA 0.177 56.194 56.100 -0.139 0.000 0.658 575 R CB -1.796 28.442 30.300 -0.105 0.000 1.095 575 R HN 0.297 nan 8.270 nan 0.000 0.443 576 Q N 0.333 120.057 119.800 -0.126 0.000 2.226 576 Q HA -0.013 4.315 4.340 -0.020 0.000 0.204 576 Q C 2.045 177.999 176.000 -0.076 0.000 0.975 576 Q CA 1.244 56.986 55.803 -0.102 0.000 0.866 576 Q CB 0.079 28.759 28.738 -0.096 0.000 0.915 576 Q HN 0.575 nan 8.270 nan 0.000 0.440 577 L N -0.534 120.647 121.223 -0.070 0.000 2.083 577 L HA -0.180 4.148 4.340 -0.020 0.000 0.209 577 L C 1.999 178.876 176.870 0.011 0.000 1.083 577 L CA 0.555 55.370 54.840 -0.042 0.000 0.752 577 L CB -0.332 41.713 42.059 -0.023 0.000 0.899 577 L HN 0.324 nan 8.230 nan 0.000 0.433 578 L N 0.090 121.311 121.223 -0.003 0.000 2.046 578 L HA -0.239 4.089 4.340 -0.020 0.000 0.208 578 L C 2.006 178.937 176.870 0.101 0.000 1.077 578 L CA 1.936 56.787 54.840 0.018 0.000 0.747 578 L CB -0.870 41.085 42.059 -0.174 0.000 0.896 578 L HN 0.277 nan 8.230 nan 0.000 0.432 579 N N -1.849 116.874 118.700 0.039 0.000 2.166 579 N HA -0.220 4.508 4.740 -0.020 0.000 0.186 579 N C 1.906 177.505 175.510 0.147 0.000 1.019 579 N CA 1.425 54.580 53.050 0.175 0.000 0.856 579 N CB -0.098 38.420 38.487 0.051 0.000 0.993 579 N HN 0.486 nan 8.380 nan 0.000 0.426 580 C N 0.285 119.610 119.300 0.041 0.000 2.446 580 C HA -0.016 4.432 4.460 -0.020 0.000 0.277 580 C C 2.516 177.508 174.990 0.004 0.000 1.275 580 C CA 0.293 59.286 59.018 -0.042 0.000 1.727 580 C CB -1.142 26.520 27.740 -0.131 0.000 2.010 580 C HN 0.506 nan 8.230 nan 0.000 0.486 581 L N -0.359 120.932 121.223 0.113 0.000 2.083 581 L HA -0.192 4.136 4.340 -0.020 0.000 0.209 581 L C 2.732 179.774 176.870 0.287 0.000 1.083 581 L CA 1.670 56.626 54.840 0.194 0.000 0.752 581 L CB -0.963 41.278 42.059 0.304 0.000 0.899 581 L HN 0.579 nan 8.230 nan 0.000 0.433 582 H N -0.084 119.110 119.070 0.207 0.000 2.326 582 H HA -0.153 4.391 4.556 -0.020 0.000 0.301 582 H C 2.317 177.647 175.328 0.004 0.000 1.081 582 H CA 2.031 58.118 56.048 0.064 0.000 1.334 582 H CB 0.291 30.010 29.762 -0.073 0.000 1.385 582 H HN 0.253 nan 8.280 nan 0.000 0.504 583 V N 0.399 120.222 119.914 -0.152 0.000 2.490 583 V HA -0.164 3.944 4.120 -0.020 0.000 0.250 583 V C 2.262 178.293 176.094 -0.105 0.000 1.061 583 V CA 1.687 63.856 62.300 -0.219 0.000 1.064 583 V CB -0.772 30.973 31.823 -0.130 0.000 0.670 583 V HN 0.375 nan 8.190 nan 0.000 0.461 584 I N 0.742 121.291 120.570 -0.035 0.000 2.546 584 I HA -0.141 4.018 4.170 -0.020 0.000 0.255 584 I C 2.597 178.794 176.117 0.134 0.000 1.163 584 I CA 1.701 63.059 61.300 0.096 0.000 1.457 584 I CB -0.589 37.464 38.000 0.087 0.000 1.092 584 I HN 0.320 nan 8.210 nan 0.000 0.434 585 T N 1.248 115.830 114.554 0.046 0.000 2.737 585 T HA -0.091 4.247 4.350 -0.020 0.000 0.265 585 T C 1.984 176.653 174.700 -0.052 0.000 1.038 585 T CA 1.143 63.265 62.100 0.037 0.000 1.144 585 T CB -0.275 68.638 68.868 0.075 0.000 0.866 585 T HN 0.228 nan 8.240 nan 0.000 0.434 586 L N -0.162 120.945 121.223 -0.193 0.000 2.043 586 L HA -0.165 4.163 4.340 -0.020 0.000 0.212 586 L C 2.401 179.238 176.870 -0.054 0.000 1.075 586 L CA 1.750 56.474 54.840 -0.193 0.000 0.752 586 L CB -0.548 41.321 42.059 -0.316 0.000 0.891 586 L HN 0.335 nan 8.230 nan 0.000 0.432 587 Y N 0.862 121.106 120.300 -0.094 0.000 2.163 587 Y HA -0.213 4.325 4.550 -0.020 0.000 0.288 587 Y C 2.274 178.163 175.900 -0.018 0.000 1.136 587 Y CA 1.905 59.988 58.100 -0.028 0.000 1.147 587 Y CB -0.387 38.104 38.460 0.052 0.000 0.987 587 Y HN 0.193 nan 8.280 nan 0.000 0.509 588 N N -0.317 118.388 118.700 0.007 0.000 2.166 588 N HA -0.162 4.566 4.740 -0.020 0.000 0.186 588 N C 1.847 177.266 175.510 -0.152 0.000 1.019 588 N CA 1.024 54.008 53.050 -0.111 0.000 0.856 588 N CB -0.138 38.350 38.487 0.002 0.000 0.993 588 N HN 0.332 nan 8.380 nan 0.000 0.426 589 R N 0.610 121.046 120.500 -0.107 0.000 2.092 589 R HA 0.003 4.331 4.340 -0.020 0.000 0.231 589 R C 2.088 178.310 176.300 -0.130 0.000 1.119 589 R CA 0.864 56.903 56.100 -0.102 0.000 0.970 589 R CB -0.192 30.058 30.300 -0.083 0.000 0.864 589 R HN 0.264 nan 8.270 nan 0.000 0.440 590 I N 0.834 121.305 120.570 -0.164 0.000 2.252 590 I HA -0.266 3.892 4.170 -0.020 0.000 0.245 590 I C 1.998 177.997 176.117 -0.197 0.000 1.102 590 I CA 1.148 62.347 61.300 -0.169 0.000 1.385 590 I CB -0.106 37.791 38.000 -0.172 0.000 1.064 590 I HN 0.007 nan 8.210 nan 0.000 0.414 591 K N 0.867 121.086 120.400 -0.302 0.000 2.097 591 K HA -0.163 4.145 4.320 -0.020 0.000 0.205 591 K C 2.004 178.500 176.600 -0.174 0.000 1.050 591 K CA 1.235 57.353 56.287 -0.282 0.000 0.938 591 K CB -0.395 31.853 32.500 -0.420 0.000 0.718 591 K HN 0.236 nan 8.250 nan 0.000 0.442 592 K N 0.999 121.305 120.400 -0.157 0.000 2.002 592 K HA -0.106 4.202 4.320 -0.020 0.000 0.209 592 K C 0.172 176.722 176.600 -0.082 0.000 1.048 592 K CA 1.301 57.524 56.287 -0.107 0.000 0.930 592 K CB 0.193 32.637 32.500 -0.093 0.000 0.714 592 K HN 0.132 nan 8.250 nan 0.000 0.438 593 E N 0.139 120.291 120.200 -0.081 0.000 2.683 593 E HA 0.096 4.434 4.350 -0.020 0.000 0.224 593 E C -2.144 174.420 176.600 -0.061 0.000 1.046 593 E CA -1.534 54.832 56.400 -0.058 0.000 0.811 593 E CB 1.510 31.184 29.700 -0.044 0.000 1.296 593 E HN 0.170 nan 8.360 nan 0.000 0.421 594 P HA -0.174 nan 4.420 nan 0.000 0.216 594 P C 0.501 177.782 177.300 -0.032 0.000 1.150 594 P CA 1.134 64.200 63.100 -0.057 0.000 0.837 594 P CB 0.365 32.035 31.700 -0.050 0.000 0.786 595 N N -0.471 118.219 118.700 -0.016 0.000 2.322 595 N HA 0.004 4.732 4.740 -0.020 0.000 0.194 595 N C 0.792 176.318 175.510 0.028 0.000 1.126 595 N CA 0.238 53.292 53.050 0.007 0.000 0.845 595 N CB 0.256 38.747 38.487 0.007 0.000 0.976 595 N HN 0.299 nan 8.380 nan 0.000 0.475 596 K N 0.955 121.364 120.400 0.016 0.000 2.205 596 K HA 0.086 4.394 4.320 -0.020 0.000 0.279 596 K C -0.630 176.010 176.600 0.067 0.000 1.027 596 K CA -0.477 55.835 56.287 0.043 0.000 0.932 596 K CB 0.679 33.186 32.500 0.011 0.000 1.032 596 K HN -0.171 nan 8.250 nan 0.000 0.466 597 F N 4.782 124.717 119.950 -0.025 0.000 2.471 597 F HA 0.197 4.712 4.527 -0.020 0.000 0.353 597 F C -0.471 175.311 175.800 -0.029 0.000 1.113 597 F CA -0.005 57.980 58.000 -0.024 0.000 1.262 597 F CB 0.666 39.655 39.000 -0.018 0.000 1.146 597 F HN 0.213 nan 8.300 nan 0.000 0.578 598 V N 3.822 123.121 119.914 -1.025 0.000 2.888 598 V HA 0.483 4.591 4.120 -0.020 0.000 0.309 598 V C -0.805 174.658 176.094 -1.052 0.000 1.114 598 V CA -1.263 60.587 62.300 -0.749 0.000 0.940 598 V CB 0.927 32.519 31.823 -0.385 0.000 1.021 598 V HN 0.589 nan 8.190 nan 0.000 0.426 599 V N 4.736 124.312 119.914 -0.563 0.000 2.450 599 V HA 0.183 4.291 4.120 -0.020 0.000 0.281 599 V C -1.832 174.073 176.094 -0.315 0.000 1.019 599 V CA -0.504 61.597 62.300 -0.333 0.000 1.062 599 V CB 0.375 32.114 31.823 -0.139 0.000 0.979 599 V HN 0.887 nan 8.190 nan 0.000 0.477 600 P HA 0.205 nan 4.420 nan 0.000 0.265 600 P C -0.278 176.902 177.300 -0.199 0.000 1.193 600 P CA 0.241 63.227 63.100 -0.191 0.000 0.765 600 P CB 0.459 32.097 31.700 -0.104 0.000 0.823 601 R N 1.262 121.662 120.500 -0.166 0.000 2.744 601 R HA 0.575 4.903 4.340 -0.020 0.000 0.279 601 R C -0.774 175.470 176.300 -0.094 0.000 0.977 601 R CA -0.617 55.388 56.100 -0.158 0.000 0.906 601 R CB 2.044 32.239 30.300 -0.176 0.000 1.197 601 R HN 0.280 nan 8.270 nan 0.000 0.463 602 T N 2.072 116.595 114.554 -0.052 0.000 2.912 602 T HA 0.225 4.563 4.350 -0.020 0.000 0.326 602 T C -0.536 174.092 174.700 -0.121 0.000 1.080 602 T CA -0.421 61.626 62.100 -0.089 0.000 1.000 602 T CB 1.020 69.812 68.868 -0.126 0.000 1.008 602 T HN 0.136 nan 8.240 nan 0.000 0.473 603 V N 5.927 125.768 119.914 -0.121 0.000 2.385 603 V HA 0.397 4.505 4.120 -0.020 0.000 0.269 603 V C 0.132 176.146 176.094 -0.133 0.000 1.043 603 V CA -0.309 61.922 62.300 -0.115 0.000 0.906 603 V CB 0.590 32.356 31.823 -0.095 0.000 0.995 603 V HN 0.839 nan 8.190 nan 0.000 0.467 604 M N 6.548 126.057 119.600 -0.152 0.000 2.205 604 M HA 0.606 5.074 4.480 -0.020 0.000 0.344 604 M C -0.883 175.299 176.300 -0.197 0.000 1.085 604 M CA -0.092 55.103 55.300 -0.175 0.000 1.001 604 M CB 1.835 34.321 32.600 -0.189 0.000 1.626 604 M HN 0.429 nan 8.290 nan 0.000 0.442 605 I N 1.963 122.389 120.570 -0.239 0.000 2.498 605 I HA 0.790 4.948 4.170 -0.020 0.000 0.290 605 I C 0.026 175.758 176.117 -0.643 0.000 1.032 605 I CA -0.622 60.500 61.300 -0.297 0.000 1.073 605 I CB 2.237 40.158 38.000 -0.132 0.000 1.251 605 I HN 0.786 nan 8.210 nan 0.000 0.426 606 G N 3.042 111.440 108.800 -0.669 0.000 2.696 606 G HA2 0.842 4.790 3.960 -0.020 0.000 0.295 606 G HA3 0.842 4.790 3.960 -0.020 0.000 0.295 606 G C -0.981 173.596 174.900 -0.539 0.000 1.398 606 G CA -0.788 43.770 45.100 -0.902 0.000 0.920 606 G HN 0.985 nan 8.290 nan 0.000 0.492 607 G N -0.329 108.326 108.800 -0.241 0.000 2.352 607 G HA2 0.409 4.357 3.960 -0.020 0.000 0.305 607 G HA3 0.409 4.357 3.960 -0.020 0.000 0.305 607 G C -1.341 173.701 174.900 0.237 0.000 1.537 607 G CA -1.034 44.102 45.100 0.059 0.000 0.959 607 G HN 0.613 nan 8.290 nan 0.000 0.668 608 K N -0.144 120.379 120.400 0.204 0.000 2.123 608 K HA 0.774 5.082 4.320 -0.020 0.000 0.259 608 K C 0.210 176.928 176.600 0.196 0.000 0.960 608 K CA -0.282 56.133 56.287 0.213 0.000 0.872 608 K CB 2.160 34.679 32.500 0.032 0.000 1.079 608 K HN 0.879 nan 8.250 nan 0.000 0.440 609 A N 1.311 124.281 122.820 0.250 0.000 2.324 609 A HA 0.664 4.972 4.320 -0.020 0.000 0.330 609 A C -0.509 177.229 177.584 0.257 0.000 1.165 609 A CA -0.718 51.397 52.037 0.131 0.000 0.813 609 A CB 1.054 20.062 19.000 0.014 0.000 1.197 609 A HN 0.769 nan 8.150 nan 0.000 0.484 610 A N 3.302 126.246 122.820 0.206 0.000 2.477 610 A HA 0.515 4.823 4.320 -0.020 0.000 0.246 610 A C -1.364 176.284 177.584 0.107 0.000 1.078 610 A CA -0.995 51.171 52.037 0.216 0.000 0.770 610 A CB -0.357 18.748 19.000 0.175 0.000 1.011 610 A HN 0.597 nan 8.150 nan 0.000 0.494 611 P HA -0.190 nan 4.420 nan 0.000 0.217 611 P C 1.318 178.602 177.300 -0.027 0.000 1.158 611 P CA 2.229 65.259 63.100 -0.117 0.000 0.887 611 P CB 0.167 31.754 31.700 -0.187 0.000 0.792 612 G N -3.372 105.439 108.800 0.018 0.000 3.233 612 G HA2 -0.089 3.859 3.960 -0.020 0.000 0.227 612 G HA3 -0.089 3.859 3.960 -0.020 0.000 0.227 612 G C -0.260 174.680 174.900 0.066 0.000 1.175 612 G CA -0.020 45.097 45.100 0.030 0.000 0.781 612 G HN 0.169 nan 8.290 nan 0.000 0.542 613 Y N 1.929 122.174 120.300 -0.092 0.000 2.691 613 Y HA 0.280 4.818 4.550 -0.020 0.000 0.338 613 Y C 1.347 177.237 175.900 -0.017 0.000 1.148 613 Y CA -2.071 55.958 58.100 -0.119 0.000 1.430 613 Y CB -0.239 38.110 38.460 -0.186 0.000 1.303 613 Y HN 0.380 nan 8.280 nan 0.000 0.499 614 H N 3.630 122.808 119.070 0.180 0.000 2.289 614 H HA -0.235 4.309 4.556 -0.020 0.000 0.296 614 H C 1.917 177.258 175.328 0.021 0.000 1.091 614 H CA 2.895 58.993 56.048 0.083 0.000 1.274 614 H CB 0.197 30.008 29.762 0.081 0.000 1.364 614 H HN 0.588 nan 8.280 nan 0.000 0.490 615 M N 0.323 119.824 119.600 -0.165 0.000 2.159 615 M HA -0.024 4.444 4.480 -0.020 0.000 0.263 615 M C 2.384 178.398 176.300 -0.476 0.000 1.063 615 M CA 1.784 56.895 55.300 -0.315 0.000 1.110 615 M CB -0.788 31.783 32.600 -0.049 0.000 1.374 615 M HN 0.412 nan 8.290 nan 0.000 0.411 616 A N -0.377 121.918 122.820 -0.875 0.000 1.933 616 A HA -0.195 4.113 4.320 -0.020 0.000 0.218 616 A C 2.191 179.560 177.584 -0.358 0.000 1.175 616 A CA 1.842 53.412 52.037 -0.778 0.000 0.628 616 A CB -0.631 17.714 19.000 -1.092 0.000 0.814 616 A HN 0.578 nan 8.150 nan 0.000 0.444 617 K N -1.202 119.053 120.400 -0.242 0.000 2.155 617 K HA -0.019 4.289 4.320 -0.020 0.000 0.203 617 K C 1.861 178.437 176.600 -0.039 0.000 1.052 617 K CA 1.110 57.362 56.287 -0.058 0.000 0.948 617 K CB -0.188 32.355 32.500 0.073 0.000 0.728 617 K HN 0.347 nan 8.250 nan 0.000 0.448 618 M N 0.493 120.014 119.600 -0.133 0.000 2.200 618 M HA -0.045 4.423 4.480 -0.020 0.000 0.265 618 M C 2.111 178.344 176.300 -0.113 0.000 1.066 618 M CA 1.311 56.562 55.300 -0.083 0.000 1.127 618 M CB -0.582 31.938 32.600 -0.134 0.000 1.379 618 M HN 0.103 nan 8.290 nan 0.000 0.420 619 I N -0.113 120.351 120.570 -0.177 0.000 2.226 619 I HA -0.295 3.863 4.170 -0.020 0.000 0.245 619 I C 2.268 178.260 176.117 -0.208 0.000 1.100 619 I CA 1.047 62.236 61.300 -0.186 0.000 1.374 619 I CB -0.243 37.646 38.000 -0.186 0.000 1.057 619 I HN 0.167 nan 8.210 nan 0.000 0.413 620 I N 0.589 121.017 120.570 -0.238 0.000 2.226 620 I HA -0.297 3.861 4.170 -0.020 0.000 0.245 620 I C 2.555 178.405 176.117 -0.446 0.000 1.100 620 I CA 1.199 62.264 61.300 -0.391 0.000 1.374 620 I CB -0.284 37.439 38.000 -0.461 0.000 1.057 620 I HN 0.139 nan 8.210 nan 0.000 0.413 621 K N 1.245 121.393 120.400 -0.420 0.000 2.147 621 K HA -0.189 4.119 4.320 -0.020 0.000 0.205 621 K C 1.916 178.355 176.600 -0.268 0.000 1.049 621 K CA 1.418 57.368 56.287 -0.562 0.000 0.936 621 K CB -0.451 31.401 32.500 -1.080 0.000 0.722 621 K HN 0.137 nan 8.250 nan 0.000 0.446 622 L N 0.507 121.596 121.223 -0.223 0.000 2.072 622 L HA 0.059 4.387 4.340 -0.020 0.000 0.205 622 L C 1.887 178.512 176.870 -0.408 0.000 1.079 622 L CA 1.471 56.005 54.840 -0.511 0.000 0.752 622 L CB -0.417 41.231 42.059 -0.685 0.000 0.906 622 L HN 0.235 nan 8.230 nan 0.000 0.436 623 I N -0.383 120.011 120.570 -0.293 0.000 2.127 623 I HA -0.347 3.811 4.170 -0.020 0.000 0.241 623 I C 2.504 178.520 176.117 -0.169 0.000 1.075 623 I CA 2.003 63.187 61.300 -0.194 0.000 1.334 623 I CB -0.821 37.157 38.000 -0.036 0.000 1.040 623 I HN 0.485 nan 8.210 nan 0.000 0.405 624 T N -0.913 113.522 114.554 -0.197 0.000 2.821 624 T HA -0.085 4.253 4.350 -0.020 0.000 0.267 624 T C 1.979 176.611 174.700 -0.112 0.000 1.046 624 T CA 0.941 62.954 62.100 -0.145 0.000 1.139 624 T CB -0.518 68.228 68.868 -0.203 0.000 0.871 624 T HN 0.332 nan 8.240 nan 0.000 0.454 625 A N 1.661 124.404 122.820 -0.128 0.000 1.902 625 A HA 0.103 4.411 4.320 -0.020 0.000 0.217 625 A C 2.397 179.968 177.584 -0.022 0.000 1.181 625 A CA 1.472 53.494 52.037 -0.026 0.000 0.623 625 A CB -0.865 18.202 19.000 0.113 0.000 0.818 625 A HN 0.596 nan 8.150 nan 0.000 0.443 626 I N -0.302 120.146 120.570 -0.204 0.000 2.179 626 I HA -0.209 3.949 4.170 -0.020 0.000 0.242 626 I C 2.712 178.775 176.117 -0.090 0.000 1.088 626 I CA 1.167 62.322 61.300 -0.242 0.000 1.357 626 I CB -0.634 37.102 38.000 -0.439 0.000 1.051 626 I HN 0.398 nan 8.210 nan 0.000 0.409 627 G N 0.291 109.035 108.800 -0.094 0.000 2.442 627 G HA2 -0.259 3.689 3.960 -0.020 0.000 0.219 627 G HA3 -0.259 3.689 3.960 -0.020 0.000 0.219 627 G C 1.272 176.165 174.900 -0.011 0.000 1.141 627 G CA 0.926 45.987 45.100 -0.065 0.000 0.763 627 G HN 0.282 nan 8.290 nan 0.000 0.554 628 D N -0.081 120.342 120.400 0.040 0.000 2.182 628 D HA -0.076 4.552 4.640 -0.020 0.000 0.201 628 D C 2.636 179.031 176.300 0.159 0.000 0.986 628 D CA 0.629 54.711 54.000 0.136 0.000 0.847 628 D CB 0.008 40.841 40.800 0.054 0.000 0.942 628 D HN 0.268 nan 8.370 nan 0.000 0.467 629 V N -0.120 119.809 119.914 0.026 0.000 2.341 629 V HA -0.115 3.993 4.120 -0.020 0.000 0.240 629 V C 2.584 178.619 176.094 -0.099 0.000 1.035 629 V CA 0.550 62.799 62.300 -0.085 0.000 1.033 629 V CB -0.257 31.409 31.823 -0.261 0.000 0.678 629 V HN -0.005 nan 8.190 nan 0.000 0.464 630 V N 1.249 121.049 119.914 -0.190 0.000 2.252 630 V HA -0.276 3.832 4.120 -0.020 0.000 0.249 630 V C 2.203 178.258 176.094 -0.065 0.000 1.056 630 V CA 2.341 64.540 62.300 -0.167 0.000 1.022 630 V CB -0.943 30.787 31.823 -0.156 0.000 0.641 630 V HN 0.587 nan 8.190 nan 0.000 0.445 631 N N -0.576 118.027 118.700 -0.163 0.000 2.519 631 N HA -0.119 4.609 4.740 -0.020 0.000 0.186 631 N C 1.328 176.529 175.510 -0.514 0.000 1.062 631 N CA 1.004 53.856 53.050 -0.330 0.000 0.910 631 N CB -0.303 37.918 38.487 -0.444 0.000 0.958 631 N HN 0.649 nan 8.380 nan 0.000 0.445 632 H N -1.294 117.787 119.070 0.020 0.000 2.893 632 H HA 0.137 4.681 4.556 -0.020 0.000 0.270 632 H C -0.334 175.021 175.328 0.044 0.000 1.095 632 H CA -0.376 55.687 56.048 0.024 0.000 1.186 632 H CB 0.778 30.541 29.762 0.003 0.000 1.562 632 H HN 0.077 nan 8.280 nan 0.000 0.536 633 D N 3.357 123.838 120.400 0.134 0.000 2.339 633 D HA 0.034 4.662 4.640 -0.020 0.000 0.256 633 D C -1.354 175.009 176.300 0.104 0.000 1.214 633 D CA -1.913 52.180 54.000 0.156 0.000 0.877 633 D CB 2.051 43.017 40.800 0.277 0.000 1.111 633 D HN 0.087 nan 8.370 nan 0.000 0.478 634 P HA -0.179 nan 4.420 nan 0.000 0.216 634 P C 1.566 178.890 177.300 0.040 0.000 1.150 634 P CA 0.814 63.946 63.100 0.055 0.000 0.837 634 P CB 0.009 31.736 31.700 0.046 0.000 0.786 635 V N -1.850 118.085 119.914 0.035 0.000 2.759 635 V HA -0.120 3.988 4.120 -0.020 0.000 0.256 635 V C 2.081 178.176 176.094 0.003 0.000 1.080 635 V CA 1.545 63.850 62.300 0.009 0.000 1.101 635 V CB -1.208 30.607 31.823 -0.014 0.000 0.698 635 V HN -0.082 nan 8.190 nan 0.000 0.477 636 V N 1.269 121.201 119.914 0.030 0.000 2.346 636 V HA 0.259 4.367 4.120 -0.020 0.000 0.244 636 V C 2.276 178.379 176.094 0.016 0.000 1.037 636 V CA 1.520 63.837 62.300 0.029 0.000 1.029 636 V CB -1.312 30.574 31.823 0.105 0.000 0.663 636 V HN 0.971 nan 8.190 nan 0.000 0.454 637 G N 1.789 110.605 108.800 0.027 0.000 2.634 637 G HA2 -0.440 3.508 3.960 -0.020 0.000 0.309 637 G HA3 -0.440 3.508 3.960 -0.020 0.000 0.309 637 G C 0.789 175.699 174.900 0.017 0.000 1.265 637 G CA 0.638 45.752 45.100 0.024 0.000 0.998 637 G HN 0.596 nan 8.290 nan 0.000 0.551 638 D N 0.854 121.268 120.400 0.022 0.000 2.348 638 D HA -0.049 4.579 4.640 -0.020 0.000 0.216 638 D C 2.194 178.484 176.300 -0.016 0.000 0.970 638 D CA 1.141 55.154 54.000 0.021 0.000 0.889 638 D CB -0.181 40.645 40.800 0.042 0.000 0.912 638 D HN 0.631 nan 8.370 nan 0.000 0.524 639 R N -0.475 120.004 120.500 -0.035 0.000 2.115 639 R HA 0.122 4.450 4.340 -0.020 0.000 0.230 639 R C 0.483 176.729 176.300 -0.090 0.000 1.111 639 R CA 0.499 56.550 56.100 -0.081 0.000 0.976 639 R CB -0.024 30.215 30.300 -0.101 0.000 0.870 639 R HN 0.162 nan 8.270 nan 0.000 0.445 640 L N -0.070 121.119 121.223 -0.058 0.000 2.493 640 L HA 0.457 4.785 4.340 -0.020 0.000 0.265 640 L C -1.646 175.192 176.870 -0.054 0.000 0.954 640 L CA -0.764 54.039 54.840 -0.062 0.000 0.844 640 L CB 2.070 44.105 42.059 -0.041 0.000 1.302 640 L HN -0.212 nan 8.230 nan 0.000 0.405 641 R N 2.740 123.193 120.500 -0.078 0.000 2.574 641 R HA 0.835 5.163 4.340 -0.020 0.000 0.288 641 R C -1.801 174.437 176.300 -0.102 0.000 1.004 641 R CA -0.488 55.556 56.100 -0.092 0.000 0.895 641 R CB 2.350 32.587 30.300 -0.104 0.000 1.191 641 R HN 0.426 nan 8.270 nan 0.000 0.444 642 V N 6.294 126.148 119.914 -0.100 0.000 2.350 642 V HA 0.508 4.616 4.120 -0.020 0.000 0.285 642 V C -0.198 175.849 176.094 -0.079 0.000 1.014 642 V CA -0.608 61.635 62.300 -0.095 0.000 0.831 642 V CB 1.007 32.772 31.823 -0.097 0.000 1.000 642 V HN 0.708 nan 8.190 nan 0.000 0.433 643 I N 1.331 121.854 120.570 -0.079 0.000 2.689 643 I HA 0.698 4.856 4.170 -0.020 0.000 0.299 643 I C -1.309 174.794 176.117 -0.023 0.000 1.059 643 I CA -0.849 60.422 61.300 -0.048 0.000 1.055 643 I CB 2.284 40.237 38.000 -0.080 0.000 1.243 643 I HN 0.438 nan 8.210 nan 0.000 0.425 644 F N 6.192 126.078 119.950 -0.105 0.000 2.404 644 F HA 0.559 5.074 4.527 -0.019 0.000 0.354 644 F C -0.670 175.069 175.800 -0.102 0.000 1.122 644 F CA -0.652 57.288 58.000 -0.100 0.000 1.080 644 F CB 1.127 40.073 39.000 -0.090 0.000 1.131 644 F HN 0.380 nan 8.300 nan 0.000 0.471 645 L N 6.250 127.119 121.223 -0.590 0.000 2.342 645 L HA 0.208 4.536 4.340 -0.020 0.000 0.285 645 L C 0.399 177.067 176.870 -0.336 0.000 1.095 645 L CA -0.194 54.431 54.840 -0.359 0.000 0.843 645 L CB 0.497 42.418 42.059 -0.230 0.000 1.201 645 L HN 0.635 nan 8.230 nan 0.000 0.445 646 E N 4.365 124.505 120.200 -0.100 0.000 2.384 646 E HA -0.086 4.253 4.350 -0.020 0.000 0.266 646 E C 0.256 176.943 176.600 0.144 0.000 1.012 646 E CA -0.337 56.142 56.400 0.131 0.000 0.901 646 E CB 0.422 30.183 29.700 0.101 0.000 0.967 646 E HN 0.579 nan 8.360 nan 0.000 0.435 647 N N 2.931 121.767 118.700 0.227 0.000 2.708 647 N HA -0.280 4.448 4.740 -0.020 0.000 0.255 647 N C -1.675 173.933 175.510 0.162 0.000 1.046 647 N CA 0.547 53.710 53.050 0.188 0.000 0.715 647 N CB -1.550 37.059 38.487 0.204 0.000 0.895 647 N HN 0.499 nan 8.380 nan 0.000 0.545 648 Y N 1.891 122.204 120.300 0.022 0.000 2.544 648 Y HA 0.279 4.817 4.550 -0.020 0.000 0.330 648 Y C 1.046 176.966 175.900 0.033 0.000 1.136 648 Y CA 0.292 58.391 58.100 -0.002 0.000 1.417 648 Y CB 0.348 38.774 38.460 -0.055 0.000 1.229 648 Y HN 0.385 nan 8.280 nan 0.000 0.532 649 R N 2.598 122.812 120.500 -0.477 0.000 2.766 649 R HA 0.476 4.804 4.340 -0.020 0.000 0.270 649 R C -0.306 175.664 176.300 -0.551 0.000 1.035 649 R CA -0.702 55.171 56.100 -0.378 0.000 0.911 649 R CB 0.494 30.738 30.300 -0.094 0.000 1.243 649 R HN 0.370 nan 8.270 nan 0.000 0.460 650 V N 1.010 120.614 119.914 -0.517 0.000 2.380 650 V HA -0.298 3.810 4.120 -0.020 0.000 0.251 650 V C 2.526 178.484 176.094 -0.226 0.000 1.063 650 V CA 2.811 64.876 62.300 -0.391 0.000 1.055 650 V CB -0.761 30.806 31.823 -0.426 0.000 0.657 650 V HN 0.937 nan 8.190 nan 0.000 0.455 651 S N -0.309 115.277 115.700 -0.190 0.000 2.428 651 S HA -0.098 4.360 4.470 -0.020 0.000 0.230 651 S C 1.869 176.405 174.600 -0.107 0.000 1.014 651 S CA 1.284 59.401 58.200 -0.139 0.000 0.957 651 S CB -0.310 62.837 63.200 -0.088 0.000 0.784 651 S HN 0.405 nan 8.310 nan 0.000 0.499 652 L N 1.879 123.042 121.223 -0.100 0.000 2.179 652 L HA 0.397 4.725 4.340 -0.020 0.000 0.208 652 L C 2.599 179.464 176.870 -0.009 0.000 1.096 652 L CA 1.299 56.125 54.840 -0.023 0.000 0.779 652 L CB -1.295 40.805 42.059 0.068 0.000 0.922 652 L HN 0.337 nan 8.230 nan 0.000 0.443 653 A N -0.471 122.307 122.820 -0.071 0.000 1.908 653 A HA -0.232 4.076 4.320 -0.020 0.000 0.218 653 A C 2.103 179.740 177.584 0.089 0.000 1.181 653 A CA 1.834 53.912 52.037 0.068 0.000 0.627 653 A CB -0.632 18.392 19.000 0.041 0.000 0.818 653 A HN 0.602 nan 8.150 nan 0.000 0.445 654 E N -0.454 119.787 120.200 0.067 0.000 2.333 654 E HA -0.163 4.175 4.350 -0.020 0.000 0.198 654 E C 1.827 178.395 176.600 -0.054 0.000 1.007 654 E CA 1.141 57.537 56.400 -0.006 0.000 0.845 654 E CB -0.059 29.533 29.700 -0.180 0.000 0.766 654 E HN 0.622 nan 8.360 nan 0.000 0.507 655 K N 0.011 120.365 120.400 -0.076 0.000 2.190 655 K HA 0.037 4.345 4.320 -0.020 0.000 0.202 655 K C 2.119 178.602 176.600 -0.195 0.000 1.045 655 K CA 0.353 56.595 56.287 -0.075 0.000 0.976 655 K CB 0.113 32.551 32.500 -0.102 0.000 0.849 655 K HN -0.055 nan 8.250 nan 0.000 0.468 656 V N 1.697 121.391 119.914 -0.366 0.000 2.535 656 V HA -0.096 4.012 4.120 -0.020 0.000 0.246 656 V C 1.865 177.691 176.094 -0.447 0.000 1.045 656 V CA 1.103 62.918 62.300 -0.808 0.000 1.058 656 V CB -0.116 31.293 31.823 -0.690 0.000 0.689 656 V HN 0.236 nan 8.190 nan 0.000 0.461 657 I N 0.848 121.212 120.570 -0.343 0.000 2.179 657 I HA -0.126 4.032 4.170 -0.020 0.000 0.242 657 I C -0.324 175.649 176.117 -0.240 0.000 1.088 657 I CA 1.663 62.669 61.300 -0.491 0.000 1.357 657 I CB -1.357 36.246 38.000 -0.661 0.000 1.051 657 I HN 0.374 nan 8.210 nan 0.000 0.409 658 P HA -0.094 nan 4.420 nan 0.000 0.228 658 P C 0.677 177.974 177.300 -0.005 0.000 1.151 658 P CA 1.056 64.130 63.100 -0.045 0.000 0.770 658 P CB 0.040 31.728 31.700 -0.020 0.000 0.786 659 A N -1.317 121.489 122.820 -0.023 0.000 2.387 659 A HA 0.554 4.862 4.320 -0.020 0.000 0.234 659 A C 1.011 178.709 177.584 0.191 0.000 1.253 659 A CA -0.088 52.000 52.037 0.084 0.000 0.894 659 A CB -0.476 18.617 19.000 0.155 0.000 0.963 659 A HN 0.176 nan 8.150 nan 0.000 0.508 660 A N -0.235 122.678 122.820 0.155 0.000 2.327 660 A HA 0.520 4.828 4.320 -0.020 0.000 0.283 660 A C 0.314 178.044 177.584 0.243 0.000 1.127 660 A CA -0.268 51.927 52.037 0.264 0.000 0.810 660 A CB 0.419 19.688 19.000 0.448 0.000 1.066 660 A HN 0.243 nan 8.150 nan 0.000 0.492 661 D N 0.440 120.979 120.400 0.231 0.000 2.490 661 D HA 0.094 4.722 4.640 -0.020 0.000 0.244 661 D C -0.215 176.296 176.300 0.353 0.000 0.979 661 D CA 0.869 55.055 54.000 0.310 0.000 0.924 661 D CB 0.202 41.090 40.800 0.146 0.000 1.075 661 D HN 0.365 nan 8.370 nan 0.000 0.488 662 L N 0.915 122.233 121.223 0.158 0.000 2.325 662 L HA 0.326 4.654 4.340 -0.020 0.000 0.281 662 L C -0.558 176.192 176.870 -0.200 0.000 1.004 662 L CA -0.486 54.369 54.840 0.026 0.000 0.823 662 L CB 1.832 43.880 42.059 -0.019 0.000 1.236 662 L HN -0.257 nan 8.230 nan 0.000 0.415 663 S N 4.601 120.089 115.700 -0.354 0.000 2.422 663 S HA 0.394 4.852 4.470 -0.020 0.000 0.298 663 S C -0.402 173.899 174.600 -0.500 0.000 1.118 663 S CA -0.654 57.060 58.200 -0.810 0.000 1.083 663 S CB 0.233 62.890 63.200 -0.904 0.000 0.971 663 S HN 0.624 nan 8.310 nan 0.000 0.478 664 E N 4.073 123.996 120.200 -0.462 0.000 2.152 664 E HA 0.189 4.527 4.350 -0.020 0.000 0.285 664 E C -0.418 176.065 176.600 -0.196 0.000 1.043 664 E CA -0.299 55.966 56.400 -0.225 0.000 0.839 664 E CB 0.908 30.511 29.700 -0.163 0.000 1.069 664 E HN 0.631 nan 8.360 nan 0.000 0.399 665 Q N 2.751 122.499 119.800 -0.086 0.000 3.075 665 Q HA 0.237 4.565 4.340 -0.020 0.000 0.318 665 Q C 0.624 176.615 176.000 -0.014 0.000 0.907 665 Q CA -0.105 55.660 55.803 -0.063 0.000 0.882 665 Q CB 0.169 28.881 28.738 -0.043 0.000 1.386 665 Q HN 0.617 nan 8.270 nan 0.000 0.408 666 I N -1.615 118.935 120.570 -0.034 0.000 3.850 666 I HA 0.249 4.407 4.170 -0.020 0.000 0.333 666 I C 0.470 176.536 176.117 -0.085 0.000 1.511 666 I CA -0.562 60.724 61.300 -0.024 0.000 1.199 666 I CB 0.142 38.116 38.000 -0.042 0.000 1.217 666 I HN -0.014 nan 8.210 nan 0.000 0.423 667 S N 0.384 116.034 115.700 -0.083 0.000 2.579 667 S HA 0.184 4.642 4.470 -0.020 0.000 0.275 667 S C 0.542 175.129 174.600 -0.021 0.000 1.345 667 S CA -0.321 57.849 58.200 -0.049 0.000 1.031 667 S CB 0.496 63.712 63.200 0.026 0.000 0.892 667 S HN 0.388 nan 8.310 nan 0.000 0.529 668 T N 2.891 117.473 114.554 0.046 0.000 2.867 668 T HA 0.360 4.698 4.350 -0.020 0.000 0.297 668 T C 0.757 175.471 174.700 0.023 0.000 0.989 668 T CA 0.332 62.461 62.100 0.048 0.000 1.159 668 T CB -0.112 68.858 68.868 0.170 0.000 0.928 668 T HN 1.023 nan 8.240 nan 0.000 0.538 669 A N 3.000 125.795 122.820 -0.041 0.000 2.573 669 A HA 0.434 4.742 4.320 -0.020 0.000 0.250 669 A C 1.650 179.223 177.584 -0.018 0.000 1.049 669 A CA 0.346 52.354 52.037 -0.049 0.000 0.767 669 A CB -0.906 18.048 19.000 -0.077 0.000 0.965 669 A HN 1.665 nan 8.150 nan 0.000 0.514 670 G N 1.462 110.254 108.800 -0.013 0.000 2.176 670 G HA2 -0.243 3.705 3.960 -0.020 0.000 0.232 670 G HA3 -0.243 3.705 3.960 -0.020 0.000 0.232 670 G C 0.920 175.817 174.900 -0.005 0.000 0.986 670 G CA 1.067 46.161 45.100 -0.009 0.000 0.643 670 G HN 1.974 nan 8.290 nan 0.000 0.522 671 T N -2.261 112.299 114.554 0.010 0.000 3.042 671 T HA 0.387 4.725 4.350 -0.020 0.000 0.245 671 T C 0.807 175.411 174.700 -0.161 0.000 1.029 671 T CA 1.120 63.186 62.100 -0.056 0.000 1.120 671 T CB 0.462 69.374 68.868 0.074 0.000 0.917 671 T HN 0.279 nan 8.240 nan 0.000 0.467 672 E N 1.606 121.823 120.200 0.029 0.000 1.996 672 E HA 0.640 4.978 4.350 -0.020 0.000 0.280 672 E C 1.182 177.747 176.600 -0.059 0.000 1.092 672 E CA 0.078 56.527 56.400 0.080 0.000 0.862 672 E CB 0.684 30.471 29.700 0.145 0.000 1.066 672 E HN 0.367 nan 8.360 nan 0.000 0.396 673 A N 3.375 126.080 122.820 -0.192 0.000 1.958 673 A HA -0.218 4.090 4.320 -0.020 0.000 0.221 673 A C 1.923 179.380 177.584 -0.212 0.000 1.178 673 A CA 2.222 54.008 52.037 -0.419 0.000 0.642 673 A CB -0.177 18.305 19.000 -0.863 0.000 0.816 673 A HN 0.615 nan 8.150 nan 0.000 0.453 674 S N -4.332 111.307 115.700 -0.102 0.000 5.096 674 S HA 0.453 4.911 4.470 -0.020 0.000 0.162 674 S C 0.589 175.179 174.600 -0.016 0.000 1.106 674 S CA 1.324 59.505 58.200 -0.030 0.000 1.330 674 S CB -0.154 63.047 63.200 0.001 0.000 1.881 674 S HN 2.308 nan 8.310 nan 0.000 0.584 675 G N 0.160 108.957 108.800 -0.004 0.000 2.692 675 G HA2 0.052 4.000 3.960 -0.020 0.000 0.686 675 G HA3 0.052 4.000 3.960 -0.020 0.000 0.686 675 G C 0.198 175.082 174.900 -0.026 0.000 1.243 675 G CA 0.477 45.571 45.100 -0.009 0.000 0.782 675 G HN 1.419 nan 8.290 nan 0.000 0.625 676 T N -2.384 112.141 114.554 -0.049 0.000 3.029 676 T HA 0.371 4.709 4.350 -0.020 0.000 0.256 676 T C 2.307 176.908 174.700 -0.165 0.000 0.914 676 T CA 1.240 63.281 62.100 -0.098 0.000 0.880 676 T CB 0.317 69.119 68.868 -0.111 0.000 1.246 676 T HN 1.880 nan 8.240 nan 0.000 0.523 677 G N 3.212 111.944 108.800 -0.113 0.000 2.422 677 G HA2 -0.230 3.718 3.960 -0.020 0.000 0.218 677 G HA3 -0.230 3.718 3.960 -0.020 0.000 0.218 677 G C 1.524 176.471 174.900 0.079 0.000 1.146 677 G CA 1.259 46.309 45.100 -0.082 0.000 0.769 677 G HN 0.669 nan 8.290 nan 0.000 0.547 678 N N 1.430 120.153 118.700 0.038 0.000 2.061 678 N HA -0.194 4.534 4.740 -0.020 0.000 0.193 678 N C 2.059 177.567 175.510 -0.003 0.000 1.030 678 N CA 2.022 55.091 53.050 0.032 0.000 0.856 678 N CB -0.791 37.669 38.487 -0.045 0.000 1.023 678 N HN 0.420 nan 8.380 nan 0.000 0.424 679 M N 0.248 119.782 119.600 -0.109 0.000 2.159 679 M HA -0.024 4.444 4.480 -0.020 0.000 0.263 679 M C 1.957 178.216 176.300 -0.068 0.000 1.063 679 M CA 1.515 56.736 55.300 -0.131 0.000 1.110 679 M CB -0.369 32.163 32.600 -0.113 0.000 1.374 679 M HN 0.128 nan 8.290 nan 0.000 0.411 680 K N 0.209 120.507 120.400 -0.170 0.000 2.057 680 K HA -0.110 4.198 4.320 -0.020 0.000 0.207 680 K C 1.753 178.269 176.600 -0.141 0.000 1.049 680 K CA 1.403 57.536 56.287 -0.257 0.000 0.931 680 K CB -0.338 31.787 32.500 -0.625 0.000 0.714 680 K HN 0.141 nan 8.250 nan 0.000 0.440 681 F N 1.188 121.067 119.950 -0.118 0.000 2.171 681 F HA -0.130 4.385 4.527 -0.021 0.000 0.300 681 F C 2.560 178.327 175.800 -0.054 0.000 1.090 681 F CA 1.251 59.204 58.000 -0.078 0.000 1.293 681 F CB -0.248 38.695 39.000 -0.095 0.000 1.013 681 F HN 0.004 nan 8.300 nan 0.000 0.486 682 M N -0.619 119.060 119.600 0.132 0.000 2.132 682 M HA -0.180 4.288 4.480 -0.020 0.000 0.263 682 M C 2.097 178.444 176.300 0.078 0.000 1.065 682 M CA 1.531 56.875 55.300 0.073 0.000 1.122 682 M CB -0.242 32.392 32.600 0.057 0.000 1.365 682 M HN 0.244 nan 8.290 nan 0.000 0.411 683 L N 0.791 122.062 121.223 0.080 0.000 2.275 683 L HA -0.094 4.234 4.340 -0.020 0.000 0.215 683 L C 0.750 177.662 176.870 0.071 0.000 1.119 683 L CA 1.801 56.695 54.840 0.090 0.000 0.790 683 L CB -0.594 41.531 42.059 0.110 0.000 0.919 683 L HN 0.337 nan 8.230 nan 0.000 0.443 684 N N -0.231 118.502 118.700 0.055 0.000 2.251 684 N HA 0.344 5.072 4.740 -0.020 0.000 0.217 684 N C 0.572 176.111 175.510 0.048 0.000 1.124 684 N CA 0.627 53.703 53.050 0.043 0.000 0.843 684 N CB 0.534 39.028 38.487 0.012 0.000 1.024 684 N HN 0.298 nan 8.380 nan 0.000 0.501 685 G N -0.268 108.562 108.800 0.051 0.000 2.204 685 G HA2 -0.131 3.817 3.960 -0.020 0.000 0.244 685 G HA3 -0.131 3.817 3.960 -0.020 0.000 0.244 685 G C -0.143 174.809 174.900 0.086 0.000 1.062 685 G CA 0.087 45.214 45.100 0.045 0.000 0.798 685 G HN 0.526 nan 8.290 nan 0.000 0.496 686 A N -0.329 122.551 122.820 0.100 0.000 2.355 686 A HA 0.886 5.194 4.320 -0.020 0.000 0.324 686 A C 0.206 177.779 177.584 -0.017 0.000 1.117 686 A CA -0.712 51.405 52.037 0.133 0.000 0.785 686 A CB 1.231 20.381 19.000 0.250 0.000 1.254 686 A HN 0.721 nan 8.150 nan 0.000 0.453 687 L N 1.152 122.326 121.223 -0.081 0.000 2.357 687 L HA 0.424 4.752 4.340 -0.020 0.000 0.273 687 L C 0.137 176.869 176.870 -0.231 0.000 1.080 687 L CA -0.332 54.353 54.840 -0.258 0.000 0.803 687 L CB 1.645 43.424 42.059 -0.466 0.000 1.174 687 L HN 0.707 nan 8.230 nan 0.000 0.443 688 T N 3.644 117.942 114.554 -0.426 0.000 2.795 688 T HA 0.448 4.786 4.350 -0.020 0.000 0.282 688 T C -0.323 174.282 174.700 -0.159 0.000 0.980 688 T CA -0.214 61.637 62.100 -0.415 0.000 1.012 688 T CB 1.388 69.834 68.868 -0.704 0.000 0.936 688 T HN 0.368 nan 8.240 nan 0.000 0.457 689 I N 3.086 123.638 120.570 -0.031 0.000 2.355 689 I HA 0.713 4.871 4.170 -0.020 0.000 0.288 689 I C 0.106 176.392 176.117 0.283 0.000 0.999 689 I CA 0.088 61.485 61.300 0.162 0.000 1.163 689 I CB 0.197 38.209 38.000 0.021 0.000 1.316 689 I HN 0.776 nan 8.210 nan 0.000 0.454 690 G N 4.038 113.095 108.800 0.428 0.000 2.606 690 G HA2 0.490 4.438 3.960 -0.020 0.000 0.300 690 G HA3 0.490 4.438 3.960 -0.020 0.000 0.300 690 G C -0.908 173.936 174.900 -0.092 0.000 1.360 690 G CA -0.266 45.002 45.100 0.281 0.000 0.783 690 G HN 0.547 nan 8.290 nan 0.000 0.484 691 T N -1.747 112.622 114.554 -0.308 0.000 2.862 691 T HA 0.569 4.907 4.350 -0.020 0.000 0.276 691 T C 0.552 175.129 174.700 -0.205 0.000 0.974 691 T CA -0.705 61.117 62.100 -0.462 0.000 0.966 691 T CB 1.241 69.857 68.868 -0.420 0.000 1.072 691 T HN 0.248 nan 8.240 nan 0.000 0.538 692 M N 2.685 122.172 119.600 -0.188 0.000 3.213 692 M HA 0.353 4.821 4.480 -0.020 0.000 0.275 692 M C -0.660 175.580 176.300 -0.100 0.000 1.424 692 M CA -0.096 55.129 55.300 -0.125 0.000 1.561 692 M CB -1.402 31.131 32.600 -0.111 0.000 1.109 692 M HN 0.733 nan 8.290 nan 0.000 0.552 693 D N 0.112 120.461 120.400 -0.084 0.000 2.732 693 D HA 0.674 5.302 4.640 -0.020 0.000 0.229 693 D C 0.676 176.953 176.300 -0.039 0.000 1.152 693 D CA 0.767 54.735 54.000 -0.054 0.000 0.854 693 D CB 1.765 42.536 40.800 -0.048 0.000 1.590 693 D HN 0.620 nan 8.370 nan 0.000 0.468 694 G N 1.894 110.681 108.800 -0.021 0.000 2.634 694 G HA2 -0.254 3.694 3.960 -0.020 0.000 0.309 694 G HA3 -0.254 3.694 3.960 -0.020 0.000 0.309 694 G C 1.011 175.904 174.900 -0.012 0.000 1.265 694 G CA 1.146 46.239 45.100 -0.013 0.000 0.998 694 G HN 1.101 nan 8.290 nan 0.000 0.551 695 A N -0.222 122.585 122.820 -0.021 0.000 2.208 695 A HA 0.172 4.480 4.320 -0.020 0.000 0.209 695 A C 2.072 179.593 177.584 -0.105 0.000 1.161 695 A CA 1.685 53.705 52.037 -0.028 0.000 0.782 695 A CB -0.386 18.587 19.000 -0.045 0.000 0.816 695 A HN 0.592 nan 8.150 nan 0.000 0.477 696 N N 0.619 119.264 118.700 -0.092 0.000 2.094 696 N HA -0.156 4.572 4.740 -0.020 0.000 0.191 696 N C 1.638 177.023 175.510 -0.209 0.000 1.023 696 N CA 1.628 54.617 53.050 -0.102 0.000 0.857 696 N CB -0.588 37.879 38.487 -0.034 0.000 1.013 696 N HN 0.279 nan 8.380 nan 0.000 0.426 697 V N 1.307 121.137 119.914 -0.139 0.000 2.287 697 V HA -0.226 3.882 4.120 -0.020 0.000 0.248 697 V C 1.977 177.995 176.094 -0.126 0.000 1.053 697 V CA 1.739 63.955 62.300 -0.141 0.000 1.027 697 V CB -0.511 31.265 31.823 -0.077 0.000 0.646 697 V HN 0.359 nan 8.190 nan 0.000 0.447 698 E N -0.646 119.540 120.200 -0.024 0.000 2.208 698 E HA -0.124 4.214 4.350 -0.020 0.000 0.193 698 E C 2.195 178.925 176.600 0.217 0.000 0.988 698 E CA 1.037 57.505 56.400 0.113 0.000 0.828 698 E CB -0.164 29.692 29.700 0.259 0.000 0.763 698 E HN 0.563 nan 8.360 nan 0.000 0.478 699 M N 0.285 119.887 119.600 0.003 0.000 2.156 699 M HA -0.076 4.392 4.480 -0.020 0.000 0.264 699 M C 2.477 178.584 176.300 -0.320 0.000 1.067 699 M CA 1.313 56.568 55.300 -0.075 0.000 1.131 699 M CB -0.105 32.335 32.600 -0.266 0.000 1.368 699 M HN 0.121 nan 8.290 nan 0.000 0.416 700 A N 0.144 122.457 122.820 -0.844 0.000 1.902 700 A HA -0.217 4.091 4.320 -0.020 0.000 0.217 700 A C 2.014 179.381 177.584 -0.362 0.000 1.181 700 A CA 1.954 53.363 52.037 -1.047 0.000 0.623 700 A CB -0.808 17.623 19.000 -0.948 0.000 0.818 700 A HN 0.574 nan 8.150 nan 0.000 0.443 701 E N -0.381 119.691 120.200 -0.213 0.000 2.077 701 E HA -0.227 4.111 4.350 -0.020 0.000 0.193 701 E C 1.781 178.359 176.600 -0.036 0.000 0.989 701 E CA 1.321 57.664 56.400 -0.094 0.000 0.800 701 E CB -0.080 29.587 29.700 -0.055 0.000 0.746 701 E HN 0.563 nan 8.360 nan 0.000 0.452 702 E N 0.019 120.232 120.200 0.022 0.000 2.072 702 E HA -0.141 4.197 4.350 -0.020 0.000 0.191 702 E C 1.819 178.460 176.600 0.067 0.000 0.985 702 E CA 1.184 57.623 56.400 0.065 0.000 0.801 702 E CB -0.157 29.647 29.700 0.172 0.000 0.750 702 E HN 0.369 nan 8.360 nan 0.000 0.452 703 A N 0.208 123.082 122.820 0.089 0.000 2.081 703 A HA 0.370 4.678 4.320 -0.020 0.000 0.214 703 A C 1.023 178.641 177.584 0.057 0.000 1.158 703 A CA 1.031 53.133 52.037 0.107 0.000 0.724 703 A CB 0.187 19.316 19.000 0.214 0.000 0.826 703 A HN 0.244 nan 8.150 nan 0.000 0.463 704 G N -0.367 108.440 108.800 0.011 0.000 3.355 704 G HA2 -0.074 3.874 3.960 -0.020 0.000 0.686 704 G HA3 -0.074 3.874 3.960 -0.020 0.000 0.686 704 G C -0.058 174.834 174.900 -0.014 0.000 1.097 704 G CA -0.000 45.091 45.100 -0.014 0.000 0.881 704 G HN 0.223 nan 8.290 nan 0.000 0.550 705 E N 0.537 120.704 120.200 -0.056 0.000 2.273 705 E HA -0.218 4.120 4.350 -0.020 0.000 0.198 705 E C 2.304 178.884 176.600 -0.034 0.000 1.002 705 E CA 1.356 57.728 56.400 -0.047 0.000 0.828 705 E CB 0.132 29.794 29.700 -0.063 0.000 0.747 705 E HN 0.796 nan 8.360 nan 0.000 0.491 706 E N 0.691 120.860 120.200 -0.051 0.000 2.418 706 E HA -0.149 4.189 4.350 -0.020 0.000 0.197 706 E C 0.832 177.346 176.600 -0.144 0.000 1.026 706 E CA 0.742 57.088 56.400 -0.090 0.000 0.862 706 E CB -0.024 29.639 29.700 -0.061 0.000 0.799 706 E HN 0.179 nan 8.360 nan 0.000 0.518 707 N N -0.386 118.265 118.700 -0.083 0.000 2.238 707 N HA 0.181 4.909 4.740 -0.020 0.000 0.222 707 N C -1.032 174.406 175.510 -0.121 0.000 1.133 707 N CA 0.000 52.981 53.050 -0.115 0.000 0.854 707 N CB 0.309 38.784 38.487 -0.021 0.000 1.041 707 N HN 0.037 nan 8.380 nan 0.000 0.510 708 F N -0.718 119.018 119.950 -0.357 0.000 2.631 708 F HA 0.457 4.971 4.527 -0.021 0.000 0.328 708 F C -0.663 174.846 175.800 -0.486 0.000 1.067 708 F CA -1.050 56.775 58.000 -0.293 0.000 0.969 708 F CB 1.360 40.283 39.000 -0.128 0.000 1.332 708 F HN -0.244 nan 8.300 nan 0.000 0.490 709 F N 3.735 123.757 119.950 0.120 0.000 2.471 709 F HA 0.375 4.890 4.527 -0.020 0.000 0.318 709 F C -0.486 175.479 175.800 0.274 0.000 1.308 709 F CA -0.541 57.536 58.000 0.127 0.000 1.162 709 F CB 0.095 39.102 39.000 0.013 0.000 1.383 709 F HN -0.043 nan 8.300 nan 0.000 0.552 710 I N 2.642 123.430 120.570 0.364 0.000 2.519 710 I HA 0.307 4.465 4.170 -0.020 0.000 0.287 710 I C 0.042 176.344 176.117 0.308 0.000 1.047 710 I CA -0.371 61.093 61.300 0.274 0.000 1.381 710 I CB 0.568 38.634 38.000 0.110 0.000 1.417 710 I HN 0.322 nan 8.210 nan 0.000 0.540 711 F N 2.373 122.386 119.950 0.105 0.000 2.789 711 F HA 0.817 5.331 4.527 -0.020 0.000 0.319 711 F C 0.192 176.028 175.800 0.062 0.000 1.168 711 F CA -0.398 57.655 58.000 0.088 0.000 0.934 711 F CB 0.673 39.742 39.000 0.115 0.000 1.375 711 F HN 0.770 nan 8.300 nan 0.000 0.480 712 G N 0.961 109.856 108.800 0.160 0.000 2.749 712 G HA2 -0.184 3.764 3.960 -0.020 0.000 0.242 712 G HA3 -0.184 3.764 3.960 -0.020 0.000 0.242 712 G C -0.527 174.336 174.900 -0.062 0.000 1.364 712 G CA -0.290 44.825 45.100 0.024 0.000 0.888 712 G HN 0.962 nan 8.290 nan 0.000 0.566 713 M N -0.146 119.427 119.600 -0.045 0.000 2.252 713 M HA 0.331 4.799 4.480 -0.020 0.000 0.321 713 M C 1.086 177.340 176.300 -0.078 0.000 1.070 713 M CA 0.579 55.856 55.300 -0.038 0.000 1.143 713 M CB 0.415 32.999 32.600 -0.026 0.000 1.498 713 M HN 0.603 nan 8.290 nan 0.000 0.445 714 R N 0.313 120.783 120.500 -0.051 0.000 2.700 714 R HA 0.380 4.708 4.340 -0.020 0.000 0.253 714 R C 0.962 177.234 176.300 -0.046 0.000 1.091 714 R CA -0.563 55.502 56.100 -0.058 0.000 1.104 714 R CB 1.047 31.321 30.300 -0.044 0.000 1.202 714 R HN 0.556 nan 8.270 nan 0.000 0.532 715 V N 1.334 121.220 119.914 -0.046 0.000 2.282 715 V HA -0.284 3.824 4.120 -0.020 0.000 0.249 715 V C 1.485 177.561 176.094 -0.031 0.000 1.057 715 V CA 2.178 64.454 62.300 -0.040 0.000 1.032 715 V CB -0.501 31.298 31.823 -0.040 0.000 0.645 715 V HN 0.715 nan 8.190 nan 0.000 0.447 716 E N 0.079 120.263 120.200 -0.027 0.000 2.160 716 E HA -0.207 4.131 4.350 -0.020 0.000 0.195 716 E C 1.878 178.474 176.600 -0.007 0.000 0.991 716 E CA 1.428 57.818 56.400 -0.017 0.000 0.810 716 E CB -0.354 29.337 29.700 -0.015 0.000 0.742 716 E HN 0.627 nan 8.360 nan 0.000 0.466 717 D N -0.053 120.343 120.400 -0.006 0.000 2.149 717 D HA -0.112 4.516 4.640 -0.020 0.000 0.201 717 D C 2.121 178.426 176.300 0.008 0.000 0.972 717 D CA 1.394 55.399 54.000 0.009 0.000 0.835 717 D CB -0.089 40.718 40.800 0.012 0.000 0.966 717 D HN 0.260 nan 8.370 nan 0.000 0.476 718 V N 0.233 120.137 119.914 -0.016 0.000 2.548 718 V HA -0.133 3.975 4.120 -0.020 0.000 0.249 718 V C 1.543 177.626 176.094 -0.020 0.000 1.055 718 V CA 1.612 63.893 62.300 -0.032 0.000 1.065 718 V CB -0.242 31.545 31.823 -0.060 0.000 0.681 718 V HN -0.172 nan 8.190 nan 0.000 0.462 719 D N 0.658 121.049 120.400 -0.016 0.000 2.117 719 D HA -0.129 4.499 4.640 -0.020 0.000 0.197 719 D C 2.395 178.699 176.300 0.007 0.000 0.987 719 D CA 1.681 55.675 54.000 -0.010 0.000 0.829 719 D CB -0.274 40.518 40.800 -0.014 0.000 0.961 719 D HN 0.472 nan 8.370 nan 0.000 0.460 720 R N -0.210 120.299 120.500 0.016 0.000 2.096 720 R HA -0.079 4.249 4.340 -0.020 0.000 0.235 720 R C 2.103 178.433 176.300 0.050 0.000 1.127 720 R CA 0.409 56.527 56.100 0.030 0.000 0.968 720 R CB -0.261 30.058 30.300 0.033 0.000 0.861 720 R HN 0.098 nan 8.270 nan 0.000 0.440 721 L N 1.182 122.442 121.223 0.062 0.000 2.093 721 L HA -0.156 4.172 4.340 -0.020 0.000 0.208 721 L C 1.289 178.215 176.870 0.095 0.000 1.085 721 L CA 1.864 56.768 54.840 0.106 0.000 0.755 721 L CB -0.505 41.627 42.059 0.121 0.000 0.904 721 L HN 0.101 nan 8.230 nan 0.000 0.435 722 D N -0.958 119.471 120.400 0.049 0.000 2.117 722 D HA -0.190 4.438 4.640 -0.020 0.000 0.198 722 D C 2.147 178.471 176.300 0.040 0.000 0.982 722 D CA 1.035 55.057 54.000 0.038 0.000 0.828 722 D CB 0.016 40.817 40.800 0.002 0.000 0.967 722 D HN 0.471 nan 8.370 nan 0.000 0.464 723 Q N 0.026 119.846 119.800 0.033 0.000 2.181 723 Q HA -0.154 4.174 4.340 -0.020 0.000 0.205 723 Q C 2.045 178.066 176.000 0.036 0.000 0.980 723 Q CA 1.319 57.139 55.803 0.028 0.000 0.862 723 Q CB -0.040 28.711 28.738 0.022 0.000 0.905 723 Q HN 0.361 nan 8.270 nan 0.000 0.429 724 R N -0.773 119.756 120.500 0.049 0.000 2.308 724 R HA 0.289 4.617 4.340 -0.020 0.000 0.202 724 R C 0.080 176.416 176.300 0.059 0.000 0.898 724 R CA 0.558 56.688 56.100 0.049 0.000 1.046 724 R CB 0.581 30.911 30.300 0.050 0.000 1.026 724 R HN 0.051 nan 8.270 nan 0.000 0.512 725 G N 1.135 109.983 108.800 0.081 0.000 3.225 725 G HA2 -0.248 3.700 3.960 -0.020 0.000 0.686 725 G HA3 -0.248 3.700 3.960 -0.020 0.000 0.686 725 G C -1.533 173.461 174.900 0.156 0.000 1.105 725 G CA -0.481 44.677 45.100 0.097 0.000 0.831 725 G HN 0.290 nan 8.290 nan 0.000 0.578 726 Y N 3.083 123.408 120.300 0.042 0.000 2.404 726 Y HA 0.620 5.158 4.550 -0.020 0.000 0.344 726 Y C 0.207 176.151 175.900 0.074 0.000 0.995 726 Y CA -1.423 56.721 58.100 0.074 0.000 1.201 726 Y CB 1.276 39.757 38.460 0.034 0.000 1.151 726 Y HN 0.611 nan 8.280 nan 0.000 0.517 727 N N 4.767 123.254 118.700 -0.354 0.000 2.626 727 N HA 0.345 5.073 4.740 -0.020 0.000 0.242 727 N C 0.312 175.565 175.510 -0.428 0.000 1.005 727 N CA 0.258 53.101 53.050 -0.345 0.000 0.905 727 N CB 1.116 39.521 38.487 -0.136 0.000 1.128 727 N HN 0.765 nan 8.380 nan 0.000 0.512 728 A N 2.593 125.024 122.820 -0.648 0.000 2.024 728 A HA -0.193 4.115 4.320 -0.020 0.000 0.220 728 A C 1.866 179.554 177.584 0.172 0.000 1.164 728 A CA 1.389 53.281 52.037 -0.241 0.000 0.643 728 A CB -0.359 18.396 19.000 -0.409 0.000 0.806 728 A HN 0.690 nan 8.150 nan 0.000 0.451 729 Q N 0.209 119.995 119.800 -0.023 0.000 2.170 729 Q HA -0.192 4.136 4.340 -0.020 0.000 0.203 729 Q C 1.881 177.941 176.000 0.100 0.000 0.976 729 Q CA 2.087 57.912 55.803 0.037 0.000 0.858 729 Q CB -0.320 28.393 28.738 -0.042 0.000 0.907 729 Q HN 0.781 nan 8.270 nan 0.000 0.433 730 E N -1.268 118.928 120.200 -0.007 0.000 2.058 730 E HA -0.234 4.104 4.350 -0.020 0.000 0.194 730 E C 1.515 178.037 176.600 -0.130 0.000 0.997 730 E CA 1.448 57.770 56.400 -0.130 0.000 0.801 730 E CB -0.224 29.282 29.700 -0.324 0.000 0.746 730 E HN 0.571 nan 8.360 nan 0.000 0.450 731 Y N -1.085 119.283 120.300 0.113 0.000 2.242 731 Y HA -0.206 4.332 4.550 -0.020 0.000 0.291 731 Y C 2.203 178.118 175.900 0.025 0.000 1.137 731 Y CA 1.492 59.657 58.100 0.108 0.000 1.181 731 Y CB -0.631 37.956 38.460 0.210 0.000 0.989 731 Y HN 0.261 nan 8.280 nan 0.000 0.527 732 Y N 1.141 121.482 120.300 0.069 0.000 2.242 732 Y HA -0.192 4.346 4.550 -0.020 0.000 0.291 732 Y C 1.671 177.542 175.900 -0.048 0.000 1.137 732 Y CA 1.585 59.643 58.100 -0.071 0.000 1.181 732 Y CB -0.296 38.172 38.460 0.013 0.000 0.989 732 Y HN 0.047 nan 8.280 nan 0.000 0.527 733 D N -0.208 120.289 120.400 0.161 0.000 2.224 733 D HA -0.067 4.561 4.640 -0.020 0.000 0.205 733 D C 1.921 178.198 176.300 -0.040 0.000 0.965 733 D CA 1.060 55.095 54.000 0.058 0.000 0.852 733 D CB -0.085 40.762 40.800 0.078 0.000 0.947 733 D HN 0.313 nan 8.370 nan 0.000 0.494 734 R N -0.481 119.996 120.500 -0.039 0.000 2.290 734 R HA 0.304 4.632 4.340 -0.020 0.000 0.197 734 R C 0.260 176.538 176.300 -0.036 0.000 0.913 734 R CA 0.186 56.263 56.100 -0.038 0.000 1.040 734 R CB 0.710 30.988 30.300 -0.037 0.000 0.992 734 R HN 0.091 nan 8.270 nan 0.000 0.500 735 I N 1.190 121.717 120.570 -0.073 0.000 2.464 735 I HA 0.254 4.412 4.170 -0.020 0.000 0.277 735 I C -1.975 174.044 176.117 -0.162 0.000 1.040 735 I CA -2.362 58.899 61.300 -0.065 0.000 1.153 735 I CB 1.958 39.954 38.000 -0.006 0.000 1.274 735 I HN -0.212 nan 8.210 nan 0.000 0.469 736 P HA -0.181 nan 4.420 nan 0.000 0.216 736 P C 1.200 178.411 177.300 -0.149 0.000 1.153 736 P CA 1.457 64.468 63.100 -0.149 0.000 0.858 736 P CB 0.319 31.965 31.700 -0.089 0.000 0.789 737 E N -1.105 119.048 120.200 -0.078 0.000 2.153 737 E HA -0.160 4.178 4.350 -0.020 0.000 0.194 737 E C 1.865 178.384 176.600 -0.137 0.000 0.988 737 E CA 0.618 56.993 56.400 -0.042 0.000 0.811 737 E CB -0.572 29.177 29.700 0.082 0.000 0.746 737 E HN 0.109 nan 8.360 nan 0.000 0.466 738 L N 1.223 122.275 121.223 -0.285 0.000 2.056 738 L HA -0.121 4.207 4.340 -0.020 0.000 0.207 738 L C 2.138 178.752 176.870 -0.426 0.000 1.078 738 L CA 1.617 56.120 54.840 -0.561 0.000 0.749 738 L CB -0.218 41.382 42.059 -0.765 0.000 0.901 738 L HN -0.085 nan 8.230 nan 0.000 0.433 739 R N -0.847 119.361 120.500 -0.487 0.000 2.091 739 R HA -0.231 4.097 4.340 -0.020 0.000 0.238 739 R C 2.293 178.459 176.300 -0.223 0.000 1.136 739 R CA 1.831 57.578 56.100 -0.588 0.000 0.959 739 R CB -0.399 29.466 30.300 -0.725 0.000 0.856 739 R HN 0.581 nan 8.270 nan 0.000 0.437 740 Q N 0.764 120.458 119.800 -0.177 0.000 2.096 740 Q HA -0.178 4.150 4.340 -0.020 0.000 0.204 740 Q C 2.062 178.036 176.000 -0.043 0.000 0.982 740 Q CA 1.509 57.253 55.803 -0.099 0.000 0.850 740 Q CB -0.030 28.651 28.738 -0.095 0.000 0.901 740 Q HN 0.367 nan 8.270 nan 0.000 0.422 741 I N 0.659 121.206 120.570 -0.037 0.000 2.163 741 I HA -0.280 3.878 4.170 -0.020 0.000 0.240 741 I C 2.167 178.345 176.117 0.101 0.000 1.081 741 I CA 0.680 62.008 61.300 0.047 0.000 1.353 741 I CB -0.319 37.681 38.000 -0.000 0.000 1.054 741 I HN 0.285 nan 8.210 nan 0.000 0.407 742 I N 0.805 121.427 120.570 0.085 0.000 2.335 742 I HA -0.258 3.901 4.170 -0.020 0.000 0.251 742 I C 2.357 178.590 176.117 0.192 0.000 1.129 742 I CA 1.689 63.099 61.300 0.183 0.000 1.402 742 I CB -1.292 36.892 38.000 0.307 0.000 1.069 742 I HN 0.355 nan 8.210 nan 0.000 0.424 743 E N 0.494 120.786 120.200 0.154 0.000 2.106 743 E HA -0.223 4.115 4.350 -0.020 0.000 0.192 743 E C 2.238 178.911 176.600 0.120 0.000 0.984 743 E CA 0.945 57.422 56.400 0.127 0.000 0.806 743 E CB -0.047 29.694 29.700 0.067 0.000 0.750 743 E HN 0.547 nan 8.360 nan 0.000 0.458 744 Q N 0.193 120.062 119.800 0.114 0.000 2.079 744 Q HA -0.123 4.205 4.340 -0.020 0.000 0.200 744 Q C 2.285 178.485 176.000 0.334 0.000 0.974 744 Q CA 0.930 56.824 55.803 0.152 0.000 0.840 744 Q CB 0.021 28.831 28.738 0.119 0.000 0.898 744 Q HN 0.302 nan 8.270 nan 0.000 0.430 745 L N -0.281 121.149 121.223 0.345 0.000 2.017 745 L HA -0.188 4.141 4.340 -0.020 0.000 0.208 745 L C 2.473 179.535 176.870 0.320 0.000 1.073 745 L CA 0.977 56.031 54.840 0.356 0.000 0.745 745 L CB -0.382 41.807 42.059 0.216 0.000 0.894 745 L HN 0.143 nan 8.230 nan 0.000 0.432 746 S N -0.357 115.486 115.700 0.240 0.000 2.382 746 S HA -0.151 4.307 4.470 -0.020 0.000 0.228 746 S C 2.073 176.778 174.600 0.175 0.000 1.027 746 S CA 1.543 59.861 58.200 0.197 0.000 0.991 746 S CB -0.163 63.133 63.200 0.160 0.000 0.823 746 S HN 0.603 nan 8.310 nan 0.000 0.469 747 S N 0.215 116.018 115.700 0.172 0.000 2.522 747 S HA 0.279 4.737 4.470 -0.020 0.000 0.227 747 S C 1.405 176.098 174.600 0.154 0.000 0.986 747 S CA 0.822 59.107 58.200 0.143 0.000 0.929 747 S CB -0.054 63.218 63.200 0.120 0.000 0.769 747 S HN 0.800 nan 8.310 nan 0.000 0.529 748 G N 0.580 109.503 108.800 0.205 0.000 2.131 748 G HA2 -0.276 3.672 3.960 -0.020 0.000 0.223 748 G HA3 -0.276 3.672 3.960 -0.020 0.000 0.223 748 G C 0.169 175.163 174.900 0.157 0.000 0.990 748 G CA 0.126 45.335 45.100 0.182 0.000 0.671 748 G HN 0.538 nan 8.290 nan 0.000 0.521 749 F N 0.380 120.334 119.950 0.007 0.000 2.216 749 F HA 0.273 4.788 4.527 -0.020 0.000 0.300 749 F C 1.710 177.327 175.800 -0.305 0.000 1.085 749 F CA 1.479 59.364 58.000 -0.191 0.000 1.326 749 F CB -0.040 38.761 39.000 -0.332 0.000 1.027 749 F HN 0.154 nan 8.300 nan 0.000 0.497 750 F N -0.257 119.723 119.950 0.048 0.000 2.664 750 F HA 0.228 4.743 4.527 -0.020 0.000 0.303 750 F C 0.642 176.507 175.800 0.108 0.000 1.092 750 F CA 0.277 58.261 58.000 -0.028 0.000 1.305 750 F CB -0.108 38.902 39.000 0.017 0.000 1.054 750 F HN 0.016 nan 8.300 nan 0.000 0.565 751 S N -1.964 113.859 115.700 0.206 0.000 2.708 751 S HA 0.297 4.755 4.470 -0.020 0.000 0.141 751 S C -2.512 172.110 174.600 0.037 0.000 1.349 751 S CA -0.944 57.323 58.200 0.113 0.000 1.206 751 S CB 0.664 63.904 63.200 0.065 0.000 1.603 751 S HN -0.181 nan 8.310 nan 0.000 0.415 752 P HA -0.132 nan 4.420 nan 0.000 0.214 752 P C 1.155 178.453 177.300 -0.003 0.000 1.163 752 P CA 1.513 64.603 63.100 -0.016 0.000 0.889 752 P CB 0.046 31.715 31.700 -0.052 0.000 0.790 753 K N -0.692 119.704 120.400 -0.007 0.000 2.288 753 K HA -0.067 4.241 4.320 -0.020 0.000 0.201 753 K C 0.780 177.381 176.600 0.001 0.000 1.048 753 K CA 0.825 57.110 56.287 -0.002 0.000 0.956 753 K CB -0.149 32.350 32.500 -0.002 0.000 0.746 753 K HN 0.437 nan 8.250 nan 0.000 0.461 754 Q N -0.664 119.135 119.800 -0.003 0.000 3.090 754 Q HA 0.221 4.549 4.340 -0.020 0.000 0.241 754 Q C -2.697 173.298 176.000 -0.008 0.000 0.958 754 Q CA -1.890 53.907 55.803 -0.009 0.000 0.715 754 Q CB 1.402 30.129 28.738 -0.019 0.000 1.298 754 Q HN -0.173 nan 8.270 nan 0.000 0.468 755 P HA -0.260 nan 4.420 nan 0.000 0.218 755 P C 0.741 178.077 177.300 0.061 0.000 1.154 755 P CA 1.818 64.948 63.100 0.049 0.000 0.872 755 P CB 0.115 31.844 31.700 0.049 0.000 0.790 756 D N -1.163 119.259 120.400 0.036 0.000 2.336 756 D HA -0.025 4.603 4.640 -0.020 0.000 0.228 756 D C 1.613 177.915 176.300 0.004 0.000 1.120 756 D CA -0.194 53.834 54.000 0.047 0.000 0.839 756 D CB -0.718 40.110 40.800 0.046 0.000 0.932 756 D HN 0.019 nan 8.370 nan 0.000 0.509 757 L N -0.011 121.153 121.223 -0.097 0.000 2.089 757 L HA -0.114 4.214 4.340 -0.020 0.000 0.213 757 L C 0.827 177.467 176.870 -0.383 0.000 1.079 757 L CA 1.636 56.293 54.840 -0.304 0.000 0.758 757 L CB -0.652 41.051 42.059 -0.592 0.000 0.891 757 L HN -0.045 nan 8.230 nan 0.000 0.433 758 F N -0.241 119.760 119.950 0.085 0.000 2.837 758 F HA 0.210 4.725 4.527 -0.020 0.000 0.298 758 F C 1.728 177.579 175.800 0.086 0.000 1.161 758 F CA -0.228 57.813 58.000 0.068 0.000 1.353 758 F CB -0.658 38.370 39.000 0.048 0.000 0.951 758 F HN 0.142 nan 8.300 nan 0.000 0.508 759 K N -0.992 119.528 120.400 0.199 0.000 2.217 759 K HA -0.103 4.205 4.320 -0.020 0.000 0.202 759 K C 0.684 177.388 176.600 0.173 0.000 1.051 759 K CA 1.600 57.989 56.287 0.171 0.000 0.952 759 K CB -0.088 32.487 32.500 0.124 0.000 0.736 759 K HN 0.041 nan 8.250 nan 0.000 0.453 760 D N 1.293 121.803 120.400 0.184 0.000 2.224 760 D HA 0.015 4.643 4.640 -0.020 0.000 0.205 760 D C 1.912 178.313 176.300 0.169 0.000 0.965 760 D CA 0.706 54.819 54.000 0.188 0.000 0.852 760 D CB 0.037 40.986 40.800 0.248 0.000 0.947 760 D HN 0.260 nan 8.370 nan 0.000 0.494 761 I N 0.083 120.755 120.570 0.171 0.000 2.233 761 I HA -0.179 3.979 4.170 -0.020 0.000 0.243 761 I C 2.230 178.419 176.117 0.120 0.000 1.093 761 I CA 0.521 61.896 61.300 0.125 0.000 1.380 761 I CB -0.095 37.973 38.000 0.113 0.000 1.067 761 I HN -0.111 nan 8.210 nan 0.000 0.413 762 V N 1.332 121.337 119.914 0.152 0.000 2.295 762 V HA -0.307 3.801 4.120 -0.020 0.000 0.246 762 V C 2.234 178.401 176.094 0.122 0.000 1.049 762 V CA 2.423 64.809 62.300 0.143 0.000 1.024 762 V CB -1.007 30.915 31.823 0.165 0.000 0.648 762 V HN 0.485 nan 8.190 nan 0.000 0.447 763 N N -0.106 118.691 118.700 0.161 0.000 2.104 763 N HA -0.221 4.508 4.740 -0.020 0.000 0.190 763 N C 1.873 177.522 175.510 0.232 0.000 1.024 763 N CA 1.917 55.100 53.050 0.222 0.000 0.853 763 N CB -0.285 38.338 38.487 0.227 0.000 1.008 763 N HN 0.347 nan 8.380 nan 0.000 0.424 764 M N 0.261 119.977 119.600 0.193 0.000 2.067 764 M HA -0.128 4.340 4.480 -0.020 0.000 0.260 764 M C 1.828 178.153 176.300 0.043 0.000 1.069 764 M CA 1.410 56.822 55.300 0.188 0.000 1.117 764 M CB -0.703 31.992 32.600 0.157 0.000 1.334 764 M HN 0.300 nan 8.290 nan 0.000 0.407 765 L N 0.034 121.225 121.223 -0.054 0.000 2.012 765 L HA -0.287 4.041 4.340 -0.020 0.000 0.210 765 L C 2.643 179.202 176.870 -0.519 0.000 1.073 765 L CA 1.186 55.841 54.840 -0.309 0.000 0.748 765 L CB -0.629 41.267 42.059 -0.272 0.000 0.891 765 L HN 0.343 nan 8.230 nan 0.000 0.431 766 M N -1.365 118.022 119.600 -0.356 0.000 2.254 766 M HA -0.135 4.333 4.480 -0.020 0.000 0.265 766 M C 1.554 177.329 176.300 -0.876 0.000 1.066 766 M CA 1.901 56.862 55.300 -0.565 0.000 1.123 766 M CB -0.936 31.336 32.600 -0.546 0.000 1.388 766 M HN 0.350 nan 8.290 nan 0.000 0.425 767 H N -3.108 115.822 119.070 -0.234 0.000 3.622 767 H HA 0.229 4.773 4.556 -0.020 0.000 0.259 767 H C 0.306 175.234 175.328 -0.668 0.000 1.145 767 H CA 0.088 55.864 56.048 -0.454 0.000 1.178 767 H CB 0.577 29.986 29.762 -0.588 0.000 1.542 767 H HN 0.317 nan 8.280 nan 0.000 0.586 768 H N -0.180 118.942 119.070 0.087 0.000 2.750 768 H HA 0.119 4.663 4.556 -0.020 0.000 0.239 768 H C -0.520 174.841 175.328 0.056 0.000 1.210 768 H CA -0.199 55.897 56.048 0.079 0.000 0.936 768 H CB 0.797 30.613 29.762 0.091 0.000 2.074 768 H HN 0.193 nan 8.280 nan 0.000 0.622 769 D N 1.460 121.923 120.400 0.105 0.000 2.374 769 D HA 0.072 4.700 4.640 -0.020 0.000 0.240 769 D C 1.171 177.450 176.300 -0.035 0.000 1.229 769 D CA -0.160 53.883 54.000 0.072 0.000 0.895 769 D CB 0.524 41.347 40.800 0.038 0.000 1.046 769 D HN 0.228 nan 8.370 nan 0.000 0.498 770 R N 2.342 122.722 120.500 -0.200 0.000 2.280 770 R HA -0.012 4.316 4.340 -0.020 0.000 0.207 770 R C 0.599 176.377 176.300 -0.870 0.000 1.043 770 R CA 0.687 56.447 56.100 -0.567 0.000 1.006 770 R CB 0.184 29.980 30.300 -0.841 0.000 0.885 770 R HN 0.392 nan 8.270 nan 0.000 0.467 771 F N 0.599 120.513 119.950 -0.061 0.000 2.647 771 F HA 0.249 4.764 4.527 -0.020 0.000 0.300 771 F C 0.043 175.722 175.800 -0.202 0.000 1.106 771 F CA -0.723 57.222 58.000 -0.091 0.000 1.313 771 F CB 0.113 39.114 39.000 0.003 0.000 1.007 771 F HN -0.262 nan 8.300 nan 0.000 0.536 772 K N -0.316 119.877 120.400 -0.345 0.000 3.356 772 K HA -0.197 4.111 4.320 -0.020 0.000 0.270 772 K C 1.044 177.515 176.600 -0.215 0.000 0.901 772 K CA 0.184 56.085 56.287 -0.644 0.000 0.688 772 K CB -1.706 30.266 32.500 -0.880 0.000 1.460 772 K HN 0.242 nan 8.250 nan 0.000 0.458 773 V N -0.062 119.828 119.914 -0.041 0.000 2.287 773 V HA -0.278 3.830 4.120 -0.020 0.000 0.248 773 V C 1.990 178.235 176.094 0.251 0.000 1.053 773 V CA 2.019 64.375 62.300 0.094 0.000 1.027 773 V CB -0.480 31.413 31.823 0.117 0.000 0.646 773 V HN 0.436 nan 8.190 nan 0.000 0.447 774 F N 0.864 120.838 119.950 0.040 0.000 2.216 774 F HA -0.107 4.408 4.527 -0.020 0.000 0.300 774 F C 2.445 178.103 175.800 -0.237 0.000 1.085 774 F CA 0.866 58.859 58.000 -0.012 0.000 1.326 774 F CB -1.461 37.558 39.000 0.031 0.000 1.027 774 F HN 0.167 nan 8.300 nan 0.000 0.497 775 A N -0.922 121.754 122.820 -0.240 0.000 2.121 775 A HA -0.135 4.173 4.320 -0.020 0.000 0.218 775 A C 1.514 179.076 177.584 -0.037 0.000 1.154 775 A CA 1.783 53.547 52.037 -0.455 0.000 0.679 775 A CB -0.450 18.359 19.000 -0.318 0.000 0.795 775 A HN 0.211 nan 8.150 nan 0.000 0.458 776 D N -3.108 117.343 120.400 0.086 0.000 2.469 776 D HA 0.117 4.745 4.640 -0.020 0.000 0.213 776 D C 1.025 177.495 176.300 0.283 0.000 1.135 776 D CA -0.165 53.957 54.000 0.203 0.000 0.834 776 D CB -0.053 40.867 40.800 0.198 0.000 1.009 776 D HN 0.499 nan 8.370 nan 0.000 0.507 777 Y N 2.009 122.400 120.300 0.152 0.000 2.114 777 Y HA -0.178 4.361 4.550 -0.019 0.000 0.284 777 Y C 2.016 178.006 175.900 0.149 0.000 1.143 777 Y CA 1.925 60.126 58.100 0.168 0.000 1.135 777 Y CB 0.135 38.662 38.460 0.111 0.000 0.980 777 Y HN -0.105 nan 8.280 nan 0.000 0.499 778 E N -0.319 119.931 120.200 0.082 0.000 2.058 778 E HA -0.222 4.116 4.350 -0.020 0.000 0.194 778 E C 2.108 178.662 176.600 -0.076 0.000 0.997 778 E CA 1.355 57.719 56.400 -0.060 0.000 0.801 778 E CB -0.079 29.697 29.700 0.127 0.000 0.746 778 E HN 0.473 nan 8.360 nan 0.000 0.450 779 E N 0.037 120.275 120.200 0.063 0.000 2.153 779 E HA -0.183 4.155 4.350 -0.020 0.000 0.194 779 E C 1.797 178.390 176.600 -0.010 0.000 0.988 779 E CA 0.749 57.209 56.400 0.100 0.000 0.811 779 E CB -0.323 29.524 29.700 0.246 0.000 0.746 779 E HN 0.351 nan 8.360 nan 0.000 0.466 780 Y N 1.291 121.420 120.300 -0.284 0.000 2.163 780 Y HA -0.185 4.353 4.550 -0.020 0.000 0.288 780 Y C 2.235 177.745 175.900 -0.651 0.000 1.136 780 Y CA 0.991 58.610 58.100 -0.801 0.000 1.147 780 Y CB -0.474 37.605 38.460 -0.635 0.000 0.987 780 Y HN -0.196 nan 8.280 nan 0.000 0.509 781 V N 0.520 120.076 119.914 -0.597 0.000 2.343 781 V HA -0.316 3.792 4.120 -0.020 0.000 0.247 781 V C 2.272 178.118 176.094 -0.414 0.000 1.051 781 V CA 2.376 64.320 62.300 -0.593 0.000 1.036 781 V CB -0.618 30.893 31.823 -0.520 0.000 0.654 781 V HN 0.269 nan 8.190 nan 0.000 0.451 782 K N -0.741 119.489 120.400 -0.282 0.000 2.025 782 K HA -0.174 4.134 4.320 -0.020 0.000 0.207 782 K C 2.285 178.786 176.600 -0.164 0.000 1.049 782 K CA 1.674 57.863 56.287 -0.163 0.000 0.933 782 K CB -0.740 31.715 32.500 -0.076 0.000 0.714 782 K HN 0.522 nan 8.250 nan 0.000 0.438 783 C N 1.315 120.496 119.300 -0.199 0.000 2.413 783 C HA -0.124 4.324 4.460 -0.020 0.000 0.277 783 C C 2.504 177.329 174.990 -0.276 0.000 1.265 783 C CA 0.915 59.850 59.018 -0.138 0.000 1.752 783 C CB -0.667 26.993 27.740 -0.132 0.000 1.998 783 C HN 0.432 nan 8.230 nan 0.000 0.489 784 Q N 0.279 119.772 119.800 -0.510 0.000 2.167 784 Q HA -0.127 4.201 4.340 -0.020 0.000 0.202 784 Q C 2.035 177.849 176.000 -0.310 0.000 0.970 784 Q CA 1.415 56.878 55.803 -0.566 0.000 0.855 784 Q CB -0.347 27.801 28.738 -0.984 0.000 0.911 784 Q HN 0.762 nan 8.270 nan 0.000 0.438 785 E N 0.337 120.408 120.200 -0.217 0.000 2.110 785 E HA -0.146 4.192 4.350 -0.020 0.000 0.193 785 E C 2.024 178.592 176.600 -0.055 0.000 0.988 785 E CA 0.693 57.029 56.400 -0.107 0.000 0.804 785 E CB 0.010 29.664 29.700 -0.077 0.000 0.745 785 E HN 0.237 nan 8.360 nan 0.000 0.458 786 R N 0.230 120.712 120.500 -0.031 0.000 2.148 786 R HA -0.050 4.278 4.340 -0.020 0.000 0.223 786 R C 2.321 178.669 176.300 0.080 0.000 1.088 786 R CA 0.556 56.709 56.100 0.088 0.000 0.985 786 R CB -0.072 30.346 30.300 0.198 0.000 0.880 786 R HN 0.035 nan 8.270 nan 0.000 0.451 787 V N 0.540 120.326 119.914 -0.214 0.000 2.307 787 V HA -0.218 3.890 4.120 -0.020 0.000 0.245 787 V C 1.984 178.083 176.094 0.008 0.000 1.045 787 V CA 2.091 64.141 62.300 -0.416 0.000 1.024 787 V CB -0.184 31.263 31.823 -0.628 0.000 0.651 787 V HN 0.315 nan 8.190 nan 0.000 0.449 788 S N 0.626 116.294 115.700 -0.052 0.000 2.402 788 S HA -0.081 4.377 4.470 -0.020 0.000 0.229 788 S C 2.170 176.829 174.600 0.099 0.000 1.021 788 S CA 1.113 59.309 58.200 -0.007 0.000 0.974 788 S CB -0.429 62.730 63.200 -0.068 0.000 0.800 788 S HN 0.617 nan 8.310 nan 0.000 0.484 789 A N 1.806 124.688 122.820 0.104 0.000 1.877 789 A HA -0.011 4.297 4.320 -0.020 0.000 0.216 789 A C 2.143 179.839 177.584 0.188 0.000 1.186 789 A CA 1.362 53.477 52.037 0.130 0.000 0.620 789 A CB -0.723 18.346 19.000 0.114 0.000 0.822 789 A HN 0.415 nan 8.150 nan 0.000 0.443 790 L N -1.974 119.417 121.223 0.280 0.000 2.056 790 L HA -0.094 4.234 4.340 -0.020 0.000 0.207 790 L C 2.276 179.415 176.870 0.447 0.000 1.078 790 L CA 2.021 57.094 54.840 0.389 0.000 0.749 790 L CB -0.777 41.611 42.059 0.548 0.000 0.901 790 L HN 0.489 nan 8.230 nan 0.000 0.433 791 Y N 0.491 120.945 120.300 0.257 0.000 2.315 791 Y HA -0.244 4.295 4.550 -0.018 0.000 0.288 791 Y C 2.264 178.106 175.900 -0.097 0.000 1.154 791 Y CA 1.651 59.639 58.100 -0.187 0.000 1.229 791 Y CB -0.112 37.967 38.460 -0.635 0.000 0.980 791 Y HN 0.185 nan 8.280 nan 0.000 0.540 792 K N 0.053 120.515 120.400 0.104 0.000 2.360 792 K HA -0.201 4.107 4.320 -0.020 0.000 0.201 792 K C 0.255 176.851 176.600 -0.005 0.000 1.046 792 K CA 1.146 57.476 56.287 0.071 0.000 0.945 792 K CB -0.412 32.158 32.500 0.116 0.000 0.750 792 K HN 0.341 nan 8.250 nan 0.000 0.464 793 N N 0.681 119.385 118.700 0.007 0.000 2.898 793 N HA 0.104 4.832 4.740 -0.020 0.000 0.245 793 N C -2.293 173.209 175.510 -0.013 0.000 1.185 793 N CA -1.843 51.210 53.050 0.006 0.000 0.879 793 N CB 1.195 39.716 38.487 0.057 0.000 1.157 793 N HN -0.234 nan 8.380 nan 0.000 0.503 794 P HA -0.268 nan 4.420 nan 0.000 0.217 794 P C 1.228 178.525 177.300 -0.004 0.000 1.158 794 P CA 1.160 64.179 63.100 -0.135 0.000 0.887 794 P CB 0.202 31.797 31.700 -0.176 0.000 0.792 795 R N -0.253 120.244 120.500 -0.004 0.000 2.091 795 R HA -0.180 4.148 4.340 -0.020 0.000 0.238 795 R C 1.931 178.255 176.300 0.041 0.000 1.136 795 R CA 1.495 57.604 56.100 0.014 0.000 0.959 795 R CB -0.327 29.977 30.300 0.007 0.000 0.856 795 R HN 0.109 nan 8.270 nan 0.000 0.437 796 E N -0.347 119.890 120.200 0.061 0.000 2.158 796 E HA -0.183 4.155 4.350 -0.020 0.000 0.191 796 E C 1.500 178.156 176.600 0.094 0.000 0.982 796 E CA 0.529 56.968 56.400 0.066 0.000 0.823 796 E CB -0.421 29.321 29.700 0.070 0.000 0.766 796 E HN 0.498 nan 8.360 nan 0.000 0.468 797 W N 2.110 123.386 121.300 -0.039 0.000 2.355 797 W HA -0.166 4.481 4.660 -0.021 0.000 0.309 797 W C 1.457 177.958 176.519 -0.031 0.000 1.206 797 W CA 2.106 59.437 57.345 -0.024 0.000 1.284 797 W CB -0.377 29.015 29.460 -0.113 0.000 1.145 797 W HN 0.030 nan 8.180 nan 0.000 0.502 798 T N 1.204 115.853 114.554 0.158 0.000 2.788 798 T HA -0.164 4.174 4.350 -0.020 0.000 0.268 798 T C 1.856 176.536 174.700 -0.033 0.000 1.044 798 T CA 1.644 63.775 62.100 0.051 0.000 1.139 798 T CB -0.327 68.559 68.868 0.030 0.000 0.867 798 T HN 0.174 nan 8.240 nan 0.000 0.454 799 R N 0.385 120.877 120.500 -0.014 0.000 2.092 799 R HA 0.131 4.459 4.340 -0.020 0.000 0.231 799 R C 2.489 178.765 176.300 -0.041 0.000 1.119 799 R CA 1.084 57.179 56.100 -0.009 0.000 0.970 799 R CB -0.327 29.979 30.300 0.011 0.000 0.864 799 R HN 0.369 nan 8.270 nan 0.000 0.440 800 M N 0.466 120.008 119.600 -0.097 0.000 2.200 800 M HA -0.116 4.352 4.480 -0.020 0.000 0.265 800 M C 1.881 178.077 176.300 -0.172 0.000 1.066 800 M CA 1.290 56.501 55.300 -0.148 0.000 1.127 800 M CB 0.224 32.687 32.600 -0.228 0.000 1.379 800 M HN -0.040 nan 8.290 nan 0.000 0.420 801 V N 0.863 120.647 119.914 -0.216 0.000 2.295 801 V HA -0.304 3.804 4.120 -0.020 0.000 0.246 801 V C 2.217 178.269 176.094 -0.070 0.000 1.049 801 V CA 1.984 64.181 62.300 -0.171 0.000 1.024 801 V CB -0.587 31.155 31.823 -0.136 0.000 0.648 801 V HN 0.504 nan 8.190 nan 0.000 0.447 802 I N -0.411 120.135 120.570 -0.040 0.000 2.208 802 I HA -0.289 3.869 4.170 -0.020 0.000 0.245 802 I C 2.653 178.808 176.117 0.064 0.000 1.097 802 I CA 1.680 63.004 61.300 0.041 0.000 1.363 802 I CB -0.380 37.686 38.000 0.110 0.000 1.051 802 I HN 0.227 nan 8.210 nan 0.000 0.413 803 R N 0.266 120.784 120.500 0.031 0.000 2.189 803 R HA -0.101 4.227 4.340 -0.020 0.000 0.223 803 R C 1.969 178.298 176.300 0.049 0.000 1.092 803 R CA 0.931 57.054 56.100 0.038 0.000 0.989 803 R CB -0.397 29.911 30.300 0.014 0.000 0.876 803 R HN 0.525 nan 8.270 nan 0.000 0.457 804 N N 0.806 119.524 118.700 0.028 0.000 2.124 804 N HA -0.043 4.685 4.740 -0.020 0.000 0.188 804 N C 1.959 177.519 175.510 0.083 0.000 1.045 804 N CA 1.041 54.126 53.050 0.058 0.000 0.846 804 N CB -0.033 38.448 38.487 -0.010 0.000 1.020 804 N HN 0.072 nan 8.380 nan 0.000 0.432 805 I N 1.822 122.428 120.570 0.059 0.000 2.185 805 I HA -0.275 3.883 4.170 -0.020 0.000 0.246 805 I C 2.324 178.487 176.117 0.078 0.000 1.088 805 I CA 1.129 62.471 61.300 0.070 0.000 1.347 805 I CB -0.322 37.710 38.000 0.053 0.000 1.041 805 I HN 0.113 nan 8.210 nan 0.000 0.415 806 A N 0.146 123.014 122.820 0.079 0.000 2.121 806 A HA -0.131 4.177 4.320 -0.020 0.000 0.218 806 A C 2.041 179.666 177.584 0.068 0.000 1.154 806 A CA 1.901 53.979 52.037 0.068 0.000 0.679 806 A CB -0.778 18.269 19.000 0.079 0.000 0.795 806 A HN 0.551 nan 8.150 nan 0.000 0.458 807 T N -3.263 111.347 114.554 0.093 0.000 3.084 807 T HA 0.137 4.475 4.350 -0.020 0.000 0.270 807 T C 1.299 176.097 174.700 0.164 0.000 1.008 807 T CA 0.642 62.804 62.100 0.102 0.000 0.900 807 T CB -0.196 68.737 68.868 0.107 0.000 1.084 807 T HN 0.486 nan 8.240 nan 0.000 0.538 808 S N 0.727 116.541 115.700 0.191 0.000 2.561 808 S HA 0.180 4.638 4.470 -0.020 0.000 0.225 808 S C 2.249 176.989 174.600 0.233 0.000 0.977 808 S CA 0.415 58.803 58.200 0.315 0.000 0.926 808 S CB -0.861 62.485 63.200 0.244 0.000 0.769 808 S HN 0.542 nan 8.310 nan 0.000 0.533 809 G N 2.796 111.653 108.800 0.094 0.000 2.475 809 G HA2 -0.319 3.629 3.960 -0.020 0.000 0.220 809 G HA3 -0.319 3.629 3.960 -0.020 0.000 0.220 809 G C 1.332 176.184 174.900 -0.080 0.000 1.125 809 G CA 1.113 46.230 45.100 0.028 0.000 0.755 809 G HN 0.710 nan 8.290 nan 0.000 0.565 810 K N -0.246 119.983 120.400 -0.285 0.000 2.362 810 K HA 0.058 4.366 4.320 -0.020 0.000 0.200 810 K C 0.964 177.217 176.600 -0.579 0.000 1.046 810 K CA 0.563 56.551 56.287 -0.497 0.000 0.952 810 K CB -0.264 31.805 32.500 -0.718 0.000 0.753 810 K HN 0.291 nan 8.250 nan 0.000 0.466 811 F N 1.289 121.271 119.950 0.055 0.000 2.663 811 F HA 0.201 4.716 4.527 -0.021 0.000 0.299 811 F C 0.603 176.451 175.800 0.080 0.000 1.143 811 F CA -0.516 57.523 58.000 0.064 0.000 1.387 811 F CB 0.070 39.104 39.000 0.058 0.000 1.019 811 F HN -0.048 nan 8.300 nan 0.000 0.523 812 S N -0.082 115.702 115.700 0.140 0.000 2.537 812 S HA 0.173 4.631 4.470 -0.020 0.000 0.275 812 S C 1.374 176.059 174.600 0.141 0.000 1.272 812 S CA -0.172 58.112 58.200 0.140 0.000 1.050 812 S CB 1.101 64.355 63.200 0.091 0.000 0.961 812 S HN 0.275 nan 8.310 nan 0.000 0.496 813 S N 2.973 118.783 115.700 0.184 0.000 2.500 813 S HA -0.102 4.356 4.470 -0.020 0.000 0.239 813 S C 0.906 175.567 174.600 0.103 0.000 0.989 813 S CA 0.879 59.211 58.200 0.220 0.000 0.951 813 S CB -0.470 62.928 63.200 0.330 0.000 0.759 813 S HN 0.805 nan 8.310 nan 0.000 0.523 814 D N 1.710 122.153 120.400 0.071 0.000 2.144 814 D HA -0.067 4.561 4.640 -0.020 0.000 0.200 814 D C 2.086 178.393 176.300 0.010 0.000 0.978 814 D CA 0.752 54.770 54.000 0.029 0.000 0.833 814 D CB -0.292 40.523 40.800 0.024 0.000 0.961 814 D HN 0.311 nan 8.370 nan 0.000 0.470 815 R N 0.706 121.215 120.500 0.015 0.000 2.062 815 R HA -0.072 4.256 4.340 -0.020 0.000 0.229 815 R C 1.870 178.164 176.300 -0.009 0.000 1.128 815 R CA 1.347 57.441 56.100 -0.009 0.000 0.960 815 R CB -0.697 29.584 30.300 -0.031 0.000 0.855 815 R HN 0.101 nan 8.270 nan 0.000 0.432 816 T N 2.343 116.917 114.554 0.033 0.000 2.665 816 T HA -0.140 4.198 4.350 -0.020 0.000 0.268 816 T C 1.932 176.642 174.700 0.018 0.000 1.035 816 T CA 1.434 63.576 62.100 0.071 0.000 1.151 816 T CB -0.147 68.852 68.868 0.218 0.000 0.862 816 T HN 0.107 nan 8.240 nan 0.000 0.438 817 I N 1.691 122.191 120.570 -0.117 0.000 2.286 817 I HA -0.104 4.054 4.170 -0.020 0.000 0.248 817 I C 2.909 178.967 176.117 -0.098 0.000 1.115 817 I CA 0.999 62.175 61.300 -0.208 0.000 1.392 817 I CB -1.632 36.251 38.000 -0.194 0.000 1.065 817 I HN 0.205 nan 8.210 nan 0.000 0.418 818 A N 0.127 122.916 122.820 -0.051 0.000 1.972 818 A HA -0.223 4.085 4.320 -0.020 0.000 0.219 818 A C 2.240 179.779 177.584 -0.074 0.000 1.169 818 A CA 1.332 53.347 52.037 -0.036 0.000 0.635 818 A CB -0.491 18.496 19.000 -0.021 0.000 0.810 818 A HN 0.523 nan 8.150 nan 0.000 0.446 819 Q N -1.821 117.918 119.800 -0.102 0.000 2.049 819 Q HA -0.160 4.169 4.340 -0.020 0.000 0.198 819 Q C 1.955 177.796 176.000 -0.264 0.000 0.971 819 Q CA 1.575 57.283 55.803 -0.158 0.000 0.833 819 Q CB -0.336 28.301 28.738 -0.169 0.000 0.896 819 Q HN 0.799 nan 8.270 nan 0.000 0.434 820 Y N 0.889 120.900 120.300 -0.483 0.000 2.114 820 Y HA -0.316 4.222 4.550 -0.020 0.000 0.282 820 Y C 2.500 177.796 175.900 -1.007 0.000 1.165 820 Y CA 1.424 58.989 58.100 -0.892 0.000 1.148 820 Y CB -0.468 37.183 38.460 -1.348 0.000 0.972 820 Y HN 0.169 nan 8.280 nan 0.000 0.504 821 A N 0.324 122.873 122.820 -0.451 0.000 1.851 821 A HA -0.228 4.080 4.320 -0.020 0.000 0.216 821 A C 2.259 179.847 177.584 0.006 0.000 1.195 821 A CA 2.098 54.130 52.037 -0.008 0.000 0.622 821 A CB -0.606 18.483 19.000 0.148 0.000 0.831 821 A HN 0.429 nan 8.150 nan 0.000 0.444 822 R N -0.509 119.965 120.500 -0.044 0.000 2.115 822 R HA -0.046 4.282 4.340 -0.020 0.000 0.226 822 R C 1.728 178.005 176.300 -0.038 0.000 1.100 822 R CA 1.448 57.536 56.100 -0.020 0.000 0.980 822 R CB -0.196 30.090 30.300 -0.024 0.000 0.875 822 R HN 0.688 nan 8.270 nan 0.000 0.445 823 E N -0.407 119.733 120.200 -0.101 0.000 2.415 823 E HA 0.103 4.441 4.350 -0.020 0.000 0.197 823 E C 1.464 178.020 176.600 -0.073 0.000 1.007 823 E CA 0.383 56.730 56.400 -0.089 0.000 0.890 823 E CB 0.519 30.142 29.700 -0.128 0.000 0.891 823 E HN 0.297 nan 8.360 nan 0.000 0.496 824 I N -0.940 119.550 120.570 -0.133 0.000 3.518 824 I HA 0.014 4.172 4.170 -0.020 0.000 0.260 824 I C 1.424 177.676 176.117 0.225 0.000 1.148 824 I CA -0.099 61.185 61.300 -0.028 0.000 1.440 824 I CB 0.123 37.977 38.000 -0.244 0.000 1.485 824 I HN 0.106 nan 8.210 nan 0.000 0.456 825 W N 1.685 123.078 121.300 0.155 0.000 2.467 825 W HA 0.199 4.847 4.660 -0.020 0.000 0.275 825 W C 1.586 178.145 176.519 0.067 0.000 1.239 825 W CA 1.085 58.502 57.345 0.120 0.000 1.266 825 W CB -1.277 28.237 29.460 0.091 0.000 1.112 825 W HN 0.380 nan 8.180 nan 0.000 0.576 826 G N 0.673 109.616 108.800 0.239 0.000 2.225 826 G HA2 -0.121 3.827 3.960 -0.020 0.000 0.264 826 G HA3 -0.121 3.827 3.960 -0.020 0.000 0.264 826 G C -0.561 174.414 174.900 0.126 0.000 1.060 826 G CA 0.221 45.403 45.100 0.136 0.000 0.833 826 G HN 0.303 nan 8.290 nan 0.000 0.498 827 V N -1.353 118.657 119.914 0.159 0.000 2.876 827 V HA 0.809 4.917 4.120 -0.020 0.000 0.312 827 V C -0.840 175.316 176.094 0.104 0.000 1.085 827 V CA -1.130 61.244 62.300 0.123 0.000 0.945 827 V CB 2.064 33.969 31.823 0.137 0.000 1.017 827 V HN 0.204 nan 8.190 nan 0.000 0.428 828 E N 5.257 125.500 120.200 0.073 0.000 2.174 828 E HA 0.472 4.810 4.350 -0.020 0.000 0.282 828 E C -2.451 174.186 176.600 0.063 0.000 0.992 828 E CA -1.752 54.683 56.400 0.059 0.000 0.803 828 E CB 1.573 31.299 29.700 0.044 0.000 1.090 828 E HN 0.621 nan 8.360 nan 0.000 0.396 829 P HA 0.117 nan 4.420 nan 0.000 0.271 829 P C -0.670 176.658 177.300 0.048 0.000 1.233 829 P CA -0.251 62.882 63.100 0.056 0.000 0.789 829 P CB 0.668 32.395 31.700 0.044 0.000 0.951 830 S N 0.109 115.838 115.700 0.048 0.000 2.548 830 S HA 0.325 4.783 4.470 -0.020 0.000 0.278 830 S C -0.227 174.396 174.600 0.039 0.000 1.150 830 S CA -0.736 57.491 58.200 0.044 0.000 0.907 830 S CB 0.837 64.070 63.200 0.054 0.000 1.108 830 S HN 0.274 nan 8.310 nan 0.000 0.459 831 R N 1.776 122.294 120.500 0.031 0.000 2.507 831 R HA 0.183 4.511 4.340 -0.020 0.000 0.298 831 R C -0.057 176.253 176.300 0.017 0.000 0.999 831 R CA -0.245 55.872 56.100 0.027 0.000 1.082 831 R CB 0.376 30.693 30.300 0.029 0.000 1.246 831 R HN 0.648 nan 8.270 nan 0.000 0.553 832 Q N 1.836 121.646 119.800 0.017 0.000 2.297 832 Q HA 0.064 4.392 4.340 -0.020 0.000 0.267 832 Q C -0.411 175.582 176.000 -0.012 0.000 1.006 832 Q CA 0.389 56.195 55.803 0.006 0.000 0.896 832 Q CB 0.488 29.235 28.738 0.015 0.000 1.186 832 Q HN 0.013 nan 8.270 nan 0.000 0.392 833 R N 2.854 123.340 120.500 -0.024 0.000 2.615 833 R HA 0.351 4.679 4.340 -0.020 0.000 0.270 833 R C -0.185 176.076 176.300 -0.066 0.000 1.081 833 R CA -0.455 55.618 56.100 -0.045 0.000 1.154 833 R CB 0.528 30.800 30.300 -0.046 0.000 1.063 833 R HN 0.590 nan 8.270 nan 0.000 0.519 834 L N 2.150 123.318 121.223 -0.091 0.000 2.387 834 L HA 0.433 4.761 4.340 -0.020 0.000 0.266 834 L C -1.888 174.936 176.870 -0.077 0.000 1.059 834 L CA -2.212 52.554 54.840 -0.123 0.000 0.801 834 L CB 1.238 43.193 42.059 -0.174 0.000 1.223 834 L HN 0.377 nan 8.230 nan 0.000 0.456 835 P HA 0.000 nan 4.420 nan 0.000 0.216 835 P CA 0.000 63.078 63.100 -0.037 0.000 0.800 835 P CB 0.000 31.686 31.700 -0.024 0.000 0.726