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 2w7p_1_B DATA FIRST_RESID 33 DATA SEQUENCE KEKINKIIME ATKGSRFYGN ELKKEKQVNQ RIENMMQQKA QITSQQLRKA DATA SEQUENCE QLQVDRFAME LEQSRNLSNT IVHIDMDAFY AAVEMRDNPE LKDKPIAVGS DATA SEQUENCE MSMLSTSNYH ARRFGVRAAM PGFIAKRLCP QLIIVPPNFD KYRAVSKEVK DATA SEQUENCE EILADYDPNF MAMSLDEAYL NITKHLEERQ NWPEDKRRYF IXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXN DATA SEQUENCE SVVFGTSAQE VVKEIRFRIE QKTTLTASAG IAPNTMLAKV CSDKNKPNGQ DATA SEQUENCE YQILPNRQAV MDFIKDLPIR KVSGIGKVTE KMLKALGIIT CTELYQQRAL DATA SEQUENCE LSLLFSETSW HYFLHISLGL GSTHLTRDGE RKSMSVERTF SEINKAEEQY DATA SEQUENCE SLCQELCSEL AQDLQKERLK GRTVTIKLKN VNFEVKTRAS TVSSVVSTAE DATA SEQUENCE EIFAIAKELL KTEIDADFPH PLRLRLMGVR ISSFPNEED 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 33 K HA 0.000 nan 4.320 nan 0.000 0.191 33 K C 0.000 176.588 176.600 -0.020 0.000 0.988 33 K CA 0.000 56.269 56.287 -0.030 0.000 0.838 33 K CB 0.000 32.483 32.500 -0.028 0.000 1.064 34 E N 2.321 122.512 120.200 -0.015 0.000 2.335 34 E HA -0.064 4.286 4.350 -0.001 0.000 0.191 34 E C 0.595 177.192 176.600 -0.005 0.000 1.150 34 E CA -0.044 56.351 56.400 -0.008 0.000 1.001 34 E CB 0.336 30.032 29.700 -0.007 0.000 1.127 34 E HN 0.536 nan 8.360 nan 0.000 0.462 35 K N 1.297 121.694 120.400 -0.006 0.000 2.486 35 K HA -0.033 4.287 4.320 -0.001 0.000 0.194 35 K C 1.408 178.008 176.600 0.000 0.000 1.033 35 K CA 0.231 56.516 56.287 -0.003 0.000 1.004 35 K CB 0.012 32.510 32.500 -0.004 0.000 0.798 35 K HN 0.233 nan 8.250 nan 0.000 0.495 36 I N 1.481 122.053 120.570 0.003 0.000 2.756 36 I HA -0.212 3.958 4.170 -0.001 0.000 0.262 36 I C 1.909 178.029 176.117 0.006 0.000 1.225 36 I CA 0.820 62.126 61.300 0.010 0.000 1.472 36 I CB -0.437 37.574 38.000 0.018 0.000 1.094 36 I HN 0.241 nan 8.210 nan 0.000 0.454 37 N N 1.505 120.207 118.700 0.003 0.000 2.309 37 N HA -0.225 4.514 4.740 -0.001 0.000 0.182 37 N C 1.767 177.272 175.510 -0.008 0.000 1.018 37 N CA 1.107 54.158 53.050 0.002 0.000 0.876 37 N CB 0.049 38.539 38.487 0.005 0.000 0.972 37 N HN 0.042 nan 8.380 nan 0.000 0.434 38 K N 0.603 120.998 120.400 -0.009 0.000 2.097 38 K HA 0.057 4.376 4.320 -0.001 0.000 0.205 38 K C 1.587 178.172 176.600 -0.026 0.000 1.050 38 K CA 1.123 57.400 56.287 -0.016 0.000 0.938 38 K CB -0.293 32.200 32.500 -0.011 0.000 0.718 38 K HN 0.287 nan 8.250 nan 0.000 0.442 39 I N 0.225 120.783 120.570 -0.020 0.000 2.110 39 I HA -0.257 3.913 4.170 -0.001 0.000 0.236 39 I C 2.151 178.238 176.117 -0.050 0.000 1.068 39 I CA 1.208 62.491 61.300 -0.029 0.000 1.333 39 I CB -0.425 37.568 38.000 -0.011 0.000 1.054 39 I HN 0.057 nan 8.210 nan 0.000 0.402 40 I N 0.492 121.040 120.570 -0.037 0.000 2.082 40 I HA -0.418 3.752 4.170 -0.001 0.000 0.221 40 I C 2.668 178.731 176.117 -0.089 0.000 1.010 40 I CA 1.920 63.193 61.300 -0.046 0.000 1.322 40 I CB -0.447 37.547 38.000 -0.009 0.000 1.044 40 I HN 0.262 nan 8.210 nan 0.000 0.384 41 M N 0.109 119.658 119.600 -0.085 0.000 2.408 41 M HA -0.274 4.205 4.480 -0.001 0.000 0.256 41 M C 1.982 178.174 176.300 -0.179 0.000 1.090 41 M CA 1.652 56.862 55.300 -0.150 0.000 1.038 41 M CB -0.092 32.466 32.600 -0.069 0.000 1.385 41 M HN 0.265 nan 8.290 nan 0.000 0.432 42 E N -0.358 119.770 120.200 -0.121 0.000 2.024 42 E HA -0.002 4.347 4.350 -0.001 0.000 0.190 42 E C 1.899 178.420 176.600 -0.132 0.000 0.974 42 E CA 1.397 57.733 56.400 -0.108 0.000 0.810 42 E CB -0.420 29.238 29.700 -0.071 0.000 0.775 42 E HN 0.534 nan 8.360 nan 0.000 0.453 43 A N 0.598 123.336 122.820 -0.135 0.000 2.172 43 A HA -0.075 4.244 4.320 -0.001 0.000 0.216 43 A C 2.177 179.647 177.584 -0.191 0.000 1.154 43 A CA 1.484 53.422 52.037 -0.164 0.000 0.701 43 A CB -0.506 18.377 19.000 -0.196 0.000 0.789 43 A HN 0.177 nan 8.150 nan 0.000 0.465 44 T N 0.253 114.684 114.554 -0.206 0.000 2.942 44 T HA 0.006 4.356 4.350 -0.001 0.000 0.265 44 T C 1.149 175.662 174.700 -0.313 0.000 1.062 44 T CA 0.950 62.906 62.100 -0.241 0.000 1.139 44 T CB -0.296 68.363 68.868 -0.348 0.000 0.883 44 T HN 0.877 nan 8.240 nan 0.000 0.468 45 K N 0.541 120.757 120.400 -0.306 0.000 2.143 45 K HA -0.235 4.084 4.320 -0.001 0.000 0.106 45 K C 0.738 177.223 176.600 -0.192 0.000 1.291 45 K CA 1.536 57.697 56.287 -0.210 0.000 0.562 45 K CB -1.605 30.841 32.500 -0.091 0.000 0.504 45 K HN 0.313 nan 8.250 nan 0.000 1.006 46 G N 0.593 109.391 108.800 -0.003 0.000 4.662 46 G HA2 0.444 4.404 3.960 -0.001 0.000 0.328 46 G HA3 0.444 4.404 3.960 -0.001 0.000 0.328 46 G C -0.833 174.136 174.900 0.115 0.000 1.451 46 G CA -0.327 44.847 45.100 0.125 0.000 1.154 46 G HN 0.495 nan 8.290 nan 0.000 0.547 47 S N -0.066 115.712 115.700 0.131 0.000 2.603 47 S HA 0.187 4.656 4.470 -0.001 0.000 0.268 47 S C 1.543 176.277 174.600 0.224 0.000 1.317 47 S CA -0.615 57.695 58.200 0.184 0.000 1.012 47 S CB 1.779 65.132 63.200 0.254 0.000 0.926 47 S HN 0.581 nan 8.310 nan 0.000 0.539 48 R N -0.325 120.328 120.500 0.255 0.000 2.355 48 R HA -0.119 4.220 4.340 -0.001 0.000 0.219 48 R C 1.409 177.945 176.300 0.393 0.000 1.107 48 R CA 0.909 57.180 56.100 0.285 0.000 1.021 48 R CB -0.218 30.253 30.300 0.285 0.000 0.852 48 R HN 0.691 nan 8.270 nan 0.000 0.475 49 F N -0.898 119.150 119.950 0.164 0.000 2.188 49 F HA -0.057 4.470 4.527 -0.001 0.000 0.289 49 F C 1.667 177.414 175.800 -0.089 0.000 1.082 49 F CA 0.758 58.659 58.000 -0.165 0.000 1.282 49 F CB -0.860 38.054 39.000 -0.142 0.000 1.060 49 F HN -0.067 nan 8.300 nan 0.000 0.493 50 Y N 0.811 120.843 120.300 -0.447 0.000 2.207 50 Y HA -0.167 4.383 4.550 -0.001 0.000 0.287 50 Y C 2.582 178.280 175.900 -0.336 0.000 1.156 50 Y CA 1.181 58.978 58.100 -0.504 0.000 1.182 50 Y CB -0.671 37.660 38.460 -0.216 0.000 0.979 50 Y HN 0.214 nan 8.280 nan 0.000 0.521 51 G N -0.095 108.666 108.800 -0.065 0.000 2.556 51 G HA2 -0.426 3.533 3.960 -0.001 0.000 0.220 51 G HA3 -0.426 3.533 3.960 -0.001 0.000 0.220 51 G C 1.352 176.164 174.900 -0.146 0.000 1.156 51 G CA 1.457 46.513 45.100 -0.073 0.000 0.766 51 G HN 0.555 nan 8.290 nan 0.000 0.583 52 N N -0.394 118.208 118.700 -0.162 0.000 2.467 52 N HA -0.018 4.722 4.740 -0.001 0.000 0.184 52 N C 1.732 177.080 175.510 -0.270 0.000 1.106 52 N CA 0.044 53.007 53.050 -0.145 0.000 0.892 52 N CB 0.085 38.555 38.487 -0.028 0.000 0.969 52 N HN 0.158 nan 8.380 nan 0.000 0.454 53 E N 0.318 120.238 120.200 -0.468 0.000 2.230 53 E HA -0.028 4.321 4.350 -0.001 0.000 0.192 53 E C 1.665 178.010 176.600 -0.425 0.000 0.987 53 E CA 0.279 56.382 56.400 -0.495 0.000 0.841 53 E CB 0.283 29.564 29.700 -0.698 0.000 0.783 53 E HN 0.363 nan 8.360 nan 0.000 0.481 54 L N 0.343 121.284 121.223 -0.469 0.000 2.145 54 L HA -0.014 4.326 4.340 -0.001 0.000 0.201 54 L C 2.145 178.889 176.870 -0.211 0.000 1.075 54 L CA 0.934 55.549 54.840 -0.374 0.000 0.773 54 L CB -0.853 40.965 42.059 -0.403 0.000 0.936 54 L HN 0.012 nan 8.230 nan 0.000 0.451 55 K N 0.482 120.780 120.400 -0.169 0.000 2.519 55 K HA -0.158 4.161 4.320 -0.001 0.000 0.196 55 K C 1.943 178.495 176.600 -0.079 0.000 1.041 55 K CA 1.078 57.307 56.287 -0.096 0.000 0.954 55 K CB 0.014 32.478 32.500 -0.060 0.000 0.774 55 K HN 0.123 nan 8.250 nan 0.000 0.480 56 K N -0.038 120.298 120.400 -0.107 0.000 2.056 56 K HA 0.002 4.321 4.320 -0.001 0.000 0.205 56 K C 1.577 178.137 176.600 -0.067 0.000 1.035 56 K CA 0.983 57.225 56.287 -0.075 0.000 0.955 56 K CB 0.072 32.520 32.500 -0.088 0.000 0.769 56 K HN 0.108 nan 8.250 nan 0.000 0.447 57 E N 0.917 121.060 120.200 -0.095 0.000 2.187 57 E HA -0.275 4.074 4.350 -0.001 0.000 0.199 57 E C 1.865 178.432 176.600 -0.055 0.000 1.004 57 E CA 1.372 57.727 56.400 -0.075 0.000 0.813 57 E CB -0.011 29.627 29.700 -0.103 0.000 0.736 57 E HN 0.175 nan 8.360 nan 0.000 0.468 58 K N 0.988 121.350 120.400 -0.063 0.000 2.097 58 K HA -0.216 4.104 4.320 -0.001 0.000 0.206 58 K C 2.305 178.891 176.600 -0.024 0.000 1.049 58 K CA 1.308 57.568 56.287 -0.044 0.000 0.933 58 K CB 0.064 32.535 32.500 -0.048 0.000 0.717 58 K HN 0.039 nan 8.250 nan 0.000 0.442 59 Q N 0.306 120.094 119.800 -0.021 0.000 2.123 59 Q HA -0.109 4.230 4.340 -0.001 0.000 0.199 59 Q C 1.923 177.925 176.000 0.004 0.000 0.966 59 Q CA 1.254 57.053 55.803 -0.005 0.000 0.845 59 Q CB 0.163 28.900 28.738 -0.002 0.000 0.907 59 Q HN 0.214 nan 8.270 nan 0.000 0.439 60 V N 2.000 121.914 119.914 0.000 0.000 2.233 60 V HA -0.312 3.807 4.120 -0.001 0.000 0.247 60 V C 1.724 177.829 176.094 0.019 0.000 1.050 60 V CA 2.261 64.569 62.300 0.013 0.000 1.010 60 V CB -0.880 30.947 31.823 0.006 0.000 0.637 60 V HN 0.421 nan 8.190 nan 0.000 0.444 61 N N -0.260 118.444 118.700 0.006 0.000 2.417 61 N HA -0.211 4.528 4.740 -0.001 0.000 0.187 61 N C 1.701 177.218 175.510 0.012 0.000 1.027 61 N CA 1.035 54.089 53.050 0.008 0.000 0.891 61 N CB -0.272 38.212 38.487 -0.004 0.000 0.956 61 N HN 0.522 nan 8.380 nan 0.000 0.442 62 Q N 0.618 120.425 119.800 0.012 0.000 2.123 62 Q HA 0.111 4.450 4.340 -0.001 0.000 0.196 62 Q C 1.941 177.956 176.000 0.026 0.000 0.958 62 Q CA 1.100 56.912 55.803 0.014 0.000 0.841 62 Q CB -0.029 28.716 28.738 0.010 0.000 0.915 62 Q HN 0.260 nan 8.270 nan 0.000 0.455 63 R N -0.287 120.235 120.500 0.036 0.000 2.120 63 R HA -0.076 4.263 4.340 -0.001 0.000 0.234 63 R C 1.978 178.318 176.300 0.066 0.000 1.123 63 R CA 1.296 57.429 56.100 0.056 0.000 0.975 63 R CB -0.240 30.103 30.300 0.070 0.000 0.866 63 R HN 0.352 nan 8.270 nan 0.000 0.446 64 I N 0.464 121.069 120.570 0.058 0.000 2.133 64 I HA -0.244 3.926 4.170 -0.001 0.000 0.238 64 I C 2.455 178.592 176.117 0.034 0.000 1.074 64 I CA 1.439 62.774 61.300 0.058 0.000 1.342 64 I CB -0.440 37.588 38.000 0.046 0.000 1.053 64 I HN 0.247 nan 8.210 nan 0.000 0.404 65 E N 1.874 122.087 120.200 0.022 0.000 2.033 65 E HA -0.294 4.056 4.350 -0.001 0.000 0.199 65 E C 1.781 178.387 176.600 0.009 0.000 1.011 65 E CA 2.131 58.538 56.400 0.011 0.000 0.815 65 E CB -0.447 29.258 29.700 0.008 0.000 0.755 65 E HN 0.278 nan 8.360 nan 0.000 0.451 66 N N -0.412 118.297 118.700 0.015 0.000 2.133 66 N HA -0.231 4.508 4.740 -0.001 0.000 0.193 66 N C 1.698 177.211 175.510 0.005 0.000 1.012 66 N CA 1.941 54.998 53.050 0.013 0.000 0.871 66 N CB -0.343 38.157 38.487 0.023 0.000 1.011 66 N HN 0.413 nan 8.380 nan 0.000 0.435 67 M N -0.649 118.957 119.600 0.010 0.000 2.073 67 M HA -0.123 4.356 4.480 -0.001 0.000 0.259 67 M C 1.602 177.881 176.300 -0.034 0.000 1.079 67 M CA 1.332 56.623 55.300 -0.016 0.000 1.131 67 M CB -0.055 32.544 32.600 -0.001 0.000 1.316 67 M HN 0.044 nan 8.290 nan 0.000 0.415 68 M N 0.652 120.240 119.600 -0.020 0.000 2.146 68 M HA -0.304 4.175 4.480 -0.001 0.000 0.256 68 M C 1.969 178.253 176.300 -0.028 0.000 1.075 68 M CA 1.942 57.227 55.300 -0.025 0.000 1.082 68 M CB -1.646 30.947 32.600 -0.012 0.000 1.355 68 M HN 0.492 nan 8.290 nan 0.000 0.402 69 Q N -0.507 119.281 119.800 -0.021 0.000 1.917 69 Q HA -0.209 4.130 4.340 -0.001 0.000 0.205 69 Q C 2.109 178.092 176.000 -0.029 0.000 0.988 69 Q CA 1.337 57.127 55.803 -0.021 0.000 0.851 69 Q CB -0.407 28.322 28.738 -0.014 0.000 0.916 69 Q HN 0.528 nan 8.270 nan 0.000 0.424 70 Q N 0.836 120.616 119.800 -0.032 0.000 2.290 70 Q HA -0.254 4.085 4.340 -0.001 0.000 0.211 70 Q C 1.962 177.929 176.000 -0.054 0.000 0.991 70 Q CA 1.461 57.239 55.803 -0.040 0.000 0.893 70 Q CB -0.040 28.671 28.738 -0.045 0.000 0.913 70 Q HN 0.213 nan 8.270 nan 0.000 0.428 71 K N 0.003 120.367 120.400 -0.060 0.000 1.965 71 K HA -0.064 4.255 4.320 -0.001 0.000 0.214 71 K C 0.756 177.325 176.600 -0.051 0.000 1.042 71 K CA 1.122 57.368 56.287 -0.067 0.000 0.950 71 K CB -0.236 32.224 32.500 -0.067 0.000 0.733 71 K HN 0.079 nan 8.250 nan 0.000 0.441 72 A N 1.800 124.596 122.820 -0.041 0.000 3.065 72 A HA -0.027 4.292 4.320 -0.001 0.000 0.262 72 A C 0.242 177.808 177.584 -0.030 0.000 1.901 72 A CA 0.510 52.528 52.037 -0.033 0.000 1.475 72 A CB -0.295 18.689 19.000 -0.027 0.000 0.984 72 A HN 0.539 nan 8.150 nan 0.000 0.618 73 Q N -0.229 119.551 119.800 -0.034 0.000 1.556 73 Q HA 0.111 4.450 4.340 -0.001 0.000 0.148 73 Q C -1.031 174.950 176.000 -0.033 0.000 0.780 73 Q CA 0.069 55.855 55.803 -0.030 0.000 0.726 73 Q CB 0.252 28.974 28.738 -0.027 0.000 1.202 73 Q HN 0.714 nan 8.270 nan 0.000 0.349 74 I N 1.903 122.449 120.570 -0.039 0.000 2.328 74 I HA 0.151 4.320 4.170 -0.001 0.000 0.287 74 I C 0.744 176.837 176.117 -0.039 0.000 1.012 74 I CA -0.439 60.835 61.300 -0.043 0.000 1.195 74 I CB 1.703 39.669 38.000 -0.056 0.000 1.350 74 I HN -0.092 nan 8.210 nan 0.000 0.464 75 T N 3.301 117.835 114.554 -0.034 0.000 2.903 75 T HA -0.077 4.272 4.350 -0.001 0.000 0.299 75 T C 1.322 176.001 174.700 -0.035 0.000 1.041 75 T CA 0.281 62.363 62.100 -0.030 0.000 1.138 75 T CB 0.594 69.446 68.868 -0.027 0.000 1.040 75 T HN 0.695 nan 8.240 nan 0.000 0.524 76 S N 2.711 118.392 115.700 -0.032 0.000 2.399 76 S HA -0.127 4.342 4.470 -0.001 0.000 0.231 76 S C 1.990 176.569 174.600 -0.035 0.000 1.022 76 S CA 1.170 59.349 58.200 -0.035 0.000 0.983 76 S CB -0.285 62.897 63.200 -0.030 0.000 0.803 76 S HN 0.885 nan 8.310 nan 0.000 0.480 77 Q N 1.239 121.021 119.800 -0.030 0.000 2.364 77 Q HA -0.084 4.255 4.340 -0.001 0.000 0.207 77 Q C 1.849 177.829 176.000 -0.033 0.000 0.970 77 Q CA 1.244 57.030 55.803 -0.029 0.000 0.888 77 Q CB -0.211 28.514 28.738 -0.023 0.000 0.951 77 Q HN 0.629 nan 8.270 nan 0.000 0.469 78 Q N -0.098 119.679 119.800 -0.038 0.000 2.083 78 Q HA -0.048 4.292 4.340 -0.001 0.000 0.198 78 Q C 2.080 178.046 176.000 -0.056 0.000 0.969 78 Q CA 0.957 56.734 55.803 -0.044 0.000 0.838 78 Q CB -0.050 28.661 28.738 -0.045 0.000 0.900 78 Q HN 0.366 nan 8.270 nan 0.000 0.436 79 L N 0.640 121.826 121.223 -0.060 0.000 2.127 79 L HA -0.180 4.160 4.340 -0.001 0.000 0.211 79 L C 2.500 179.328 176.870 -0.070 0.000 1.089 79 L CA 1.663 56.458 54.840 -0.074 0.000 0.757 79 L CB -0.406 41.611 42.059 -0.070 0.000 0.899 79 L HN 0.203 nan 8.230 nan 0.000 0.434 80 R N -0.385 120.083 120.500 -0.054 0.000 2.092 80 R HA -0.215 4.124 4.340 -0.001 0.000 0.231 80 R C 2.306 178.578 176.300 -0.046 0.000 1.119 80 R CA 1.410 57.482 56.100 -0.047 0.000 0.970 80 R CB -0.019 30.260 30.300 -0.035 0.000 0.864 80 R HN 0.127 nan 8.270 nan 0.000 0.440 81 K N 0.781 121.154 120.400 -0.044 0.000 2.002 81 K HA -0.059 4.260 4.320 -0.001 0.000 0.209 81 K C 1.787 178.357 176.600 -0.050 0.000 1.048 81 K CA 2.036 58.300 56.287 -0.038 0.000 0.930 81 K CB -0.579 31.901 32.500 -0.034 0.000 0.714 81 K HN 0.203 nan 8.250 nan 0.000 0.438 82 A N 0.396 123.171 122.820 -0.075 0.000 1.877 82 A HA -0.186 4.133 4.320 -0.001 0.000 0.216 82 A C 2.178 179.693 177.584 -0.114 0.000 1.186 82 A CA 1.889 53.858 52.037 -0.112 0.000 0.620 82 A CB -0.863 18.038 19.000 -0.164 0.000 0.822 82 A HN 0.553 nan 8.150 nan 0.000 0.443 83 Q N -0.680 119.057 119.800 -0.105 0.000 2.376 83 Q HA -0.175 4.165 4.340 -0.001 0.000 0.211 83 Q C 1.629 177.588 176.000 -0.068 0.000 0.986 83 Q CA 1.700 57.443 55.803 -0.099 0.000 0.886 83 Q CB -0.419 28.268 28.738 -0.086 0.000 0.927 83 Q HN 0.616 nan 8.270 nan 0.000 0.457 84 L N -0.305 120.889 121.223 -0.047 0.000 2.062 84 L HA -0.031 4.309 4.340 -0.001 0.000 0.202 84 L C 2.290 179.161 176.870 0.002 0.000 1.079 84 L CA 2.193 57.021 54.840 -0.019 0.000 0.755 84 L CB -1.308 40.745 42.059 -0.010 0.000 0.913 84 L HN 0.418 nan 8.230 nan 0.000 0.445 85 Q N -0.297 119.505 119.800 0.004 0.000 2.012 85 Q HA -0.245 4.094 4.340 -0.001 0.000 0.211 85 Q C 1.972 178.028 176.000 0.094 0.000 1.009 85 Q CA 3.604 59.437 55.803 0.050 0.000 0.866 85 Q CB -0.432 28.326 28.738 0.034 0.000 0.945 85 Q HN 0.440 nan 8.270 nan 0.000 0.414 86 V N 1.663 121.586 119.914 0.015 0.000 2.324 86 V HA -0.292 3.828 4.120 -0.001 0.000 0.250 86 V C 2.092 178.215 176.094 0.049 0.000 1.060 86 V CA 2.191 64.516 62.300 0.041 0.000 1.042 86 V CB -0.844 30.884 31.823 -0.159 0.000 0.650 86 V HN 0.459 nan 8.190 nan 0.000 0.450 87 D N -0.355 120.038 120.400 -0.012 0.000 2.116 87 D HA -0.209 4.430 4.640 -0.001 0.000 0.193 87 D C 2.231 178.553 176.300 0.035 0.000 0.998 87 D CA 1.841 55.830 54.000 -0.018 0.000 0.836 87 D CB -0.226 40.558 40.800 -0.027 0.000 0.951 87 D HN 0.422 nan 8.370 nan 0.000 0.449 88 R N -0.219 120.325 120.500 0.073 0.000 2.127 88 R HA -0.210 4.129 4.340 -0.001 0.000 0.228 88 R C 2.333 178.735 176.300 0.169 0.000 1.125 88 R CA 1.653 57.818 56.100 0.107 0.000 0.904 88 R CB -0.908 29.461 30.300 0.114 0.000 0.831 88 R HN 0.124 nan 8.270 nan 0.000 0.431 89 F N 1.439 121.426 119.950 0.062 0.000 2.167 89 F HA -0.281 4.245 4.527 -0.001 0.000 0.301 89 F C 1.890 177.719 175.800 0.048 0.000 1.066 89 F CA 1.518 59.556 58.000 0.064 0.000 1.285 89 F CB -0.952 38.110 39.000 0.103 0.000 1.032 89 F HN 0.273 nan 8.300 nan 0.000 0.495 90 A N 0.663 123.403 122.820 -0.133 0.000 1.855 90 A HA -0.216 4.103 4.320 -0.001 0.000 0.215 90 A C 2.456 179.986 177.584 -0.091 0.000 1.191 90 A CA 1.720 53.628 52.037 -0.215 0.000 0.613 90 A CB -1.035 17.926 19.000 -0.066 0.000 0.829 90 A HN 0.551 nan 8.150 nan 0.000 0.442 91 M N -0.826 118.771 119.600 -0.005 0.000 2.108 91 M HA -0.249 4.230 4.480 -0.001 0.000 0.257 91 M C 1.963 178.274 176.300 0.020 0.000 1.071 91 M CA 2.156 57.469 55.300 0.021 0.000 1.093 91 M CB -0.233 32.392 32.600 0.041 0.000 1.345 91 M HN 0.398 nan 8.290 nan 0.000 0.403 92 E N 0.527 120.750 120.200 0.037 0.000 2.007 92 E HA -0.199 4.151 4.350 -0.001 0.000 0.194 92 E C 2.044 178.660 176.600 0.027 0.000 0.999 92 E CA 1.645 58.083 56.400 0.063 0.000 0.811 92 E CB -0.793 29.000 29.700 0.156 0.000 0.762 92 E HN 0.595 nan 8.360 nan 0.000 0.450 93 L N 0.943 122.143 121.223 -0.039 0.000 2.034 93 L HA -0.273 4.067 4.340 -0.001 0.000 0.217 93 L C 2.596 179.456 176.870 -0.016 0.000 1.077 93 L CA 1.632 56.446 54.840 -0.043 0.000 0.769 93 L CB -0.443 41.521 42.059 -0.157 0.000 0.890 93 L HN 0.138 nan 8.230 nan 0.000 0.435 94 E N -0.288 119.898 120.200 -0.024 0.000 2.171 94 E HA -0.279 4.071 4.350 -0.001 0.000 0.197 94 E C 2.041 178.642 176.600 0.001 0.000 0.997 94 E CA 1.404 57.798 56.400 -0.009 0.000 0.810 94 E CB -0.007 29.693 29.700 0.000 0.000 0.738 94 E HN 0.316 nan 8.360 nan 0.000 0.467 95 Q N -0.094 119.713 119.800 0.011 0.000 2.033 95 Q HA 0.041 4.380 4.340 -0.001 0.000 0.196 95 Q C 1.310 177.321 176.000 0.019 0.000 0.970 95 Q CA 1.571 57.385 55.803 0.018 0.000 0.828 95 Q CB -0.203 28.552 28.738 0.028 0.000 0.895 95 Q HN 0.245 nan 8.270 nan 0.000 0.440 96 S N 0.202 115.918 115.700 0.027 0.000 2.930 96 S HA 0.156 4.625 4.470 -0.001 0.000 0.257 96 S C 0.132 174.743 174.600 0.018 0.000 1.208 96 S CA -0.552 57.666 58.200 0.029 0.000 1.233 96 S CB -0.412 62.817 63.200 0.048 0.000 0.900 96 S HN 0.263 nan 8.310 nan 0.000 0.472 97 R N 1.930 122.434 120.500 0.006 0.000 2.210 97 R HA 0.235 4.574 4.340 -0.001 0.000 0.338 97 R C -0.937 175.357 176.300 -0.010 0.000 1.062 97 R CA -0.426 55.670 56.100 -0.007 0.000 0.902 97 R CB 0.206 30.498 30.300 -0.013 0.000 1.050 97 R HN 0.223 nan 8.270 nan 0.000 0.461 98 N N 4.958 123.651 118.700 -0.013 0.000 2.444 98 N HA 0.144 4.884 4.740 -0.001 0.000 0.271 98 N C 0.059 175.551 175.510 -0.029 0.000 1.069 98 N CA -0.081 52.961 53.050 -0.015 0.000 0.965 98 N CB 1.384 39.866 38.487 -0.008 0.000 1.092 98 N HN 0.682 nan 8.380 nan 0.000 0.476 99 L N 0.963 122.169 121.223 -0.029 0.000 3.086 99 L HA 0.152 4.491 4.340 -0.001 0.000 0.274 99 L C 1.619 178.464 176.870 -0.041 0.000 1.184 99 L CA 0.050 54.866 54.840 -0.040 0.000 1.002 99 L CB 0.337 42.373 42.059 -0.038 0.000 1.383 99 L HN 0.345 nan 8.230 nan 0.000 0.582 100 S N 0.063 115.743 115.700 -0.034 0.000 2.343 100 S HA -0.045 4.425 4.470 -0.001 0.000 0.219 100 S C 0.984 175.557 174.600 -0.045 0.000 1.033 100 S CA 0.889 59.069 58.200 -0.034 0.000 1.014 100 S CB -0.222 62.963 63.200 -0.025 0.000 0.915 100 S HN 0.448 nan 8.310 nan 0.000 0.435 101 N N 1.399 120.067 118.700 -0.054 0.000 2.267 101 N HA 0.091 4.830 4.740 -0.001 0.000 0.226 101 N C -0.480 174.990 175.510 -0.067 0.000 1.314 101 N CA 0.862 53.873 53.050 -0.066 0.000 0.887 101 N CB 0.223 38.661 38.487 -0.081 0.000 1.120 101 N HN 0.190 nan 8.380 nan 0.000 0.440 102 T N 0.881 115.393 114.554 -0.069 0.000 2.971 102 T HA 0.593 4.943 4.350 -0.001 0.000 0.304 102 T C -0.209 174.446 174.700 -0.075 0.000 1.038 102 T CA -0.446 61.607 62.100 -0.078 0.000 1.007 102 T CB 1.070 69.892 68.868 -0.076 0.000 1.055 102 T HN 0.254 nan 8.240 nan 0.000 0.451 103 I N 2.138 122.661 120.570 -0.078 0.000 2.828 103 I HA 0.708 4.877 4.170 -0.001 0.000 0.302 103 I C -0.883 175.212 176.117 -0.037 0.000 1.101 103 I CA -1.203 60.065 61.300 -0.053 0.000 1.031 103 I CB 2.439 40.405 38.000 -0.057 0.000 1.231 103 I HN 0.267 nan 8.210 nan 0.000 0.427 104 V N 3.325 123.239 119.914 0.000 0.000 2.823 104 V HA 0.451 4.571 4.120 -0.001 0.000 0.312 104 V C -0.852 175.308 176.094 0.111 0.000 1.072 104 V CA -0.617 61.681 62.300 -0.004 0.000 0.937 104 V CB 2.150 33.903 31.823 -0.116 0.000 1.013 104 V HN 0.694 nan 8.190 nan 0.000 0.430 105 H N 4.628 123.687 119.070 -0.019 0.000 2.744 105 H HA 0.592 5.147 4.556 -0.001 0.000 0.339 105 H C -1.679 173.562 175.328 -0.144 0.000 1.004 105 H CA -0.578 55.432 56.048 -0.063 0.000 1.257 105 H CB 1.628 31.406 29.762 0.028 0.000 1.552 105 H HN 0.583 nan 8.280 nan 0.000 0.522 106 I N 4.863 125.032 120.570 -0.667 0.000 2.362 106 I HA 0.163 4.332 4.170 -0.001 0.000 0.289 106 I C -0.257 175.492 176.117 -0.614 0.000 0.994 106 I CA -0.570 60.420 61.300 -0.517 0.000 1.158 106 I CB 1.808 39.574 38.000 -0.390 0.000 1.315 106 I HN 0.469 nan 8.210 nan 0.000 0.451 107 D N 8.114 128.267 120.400 -0.412 0.000 2.481 107 D HA 0.253 4.892 4.640 -0.001 0.000 0.246 107 D C -0.517 175.653 176.300 -0.217 0.000 1.109 107 D CA -0.589 53.220 54.000 -0.318 0.000 0.845 107 D CB 1.471 42.174 40.800 -0.162 0.000 1.160 107 D HN 0.244 nan 8.370 nan 0.000 0.534 108 M N 2.702 122.137 119.600 -0.276 0.000 2.268 108 M HA 0.074 4.553 4.480 -0.001 0.000 0.349 108 M C -0.345 175.938 176.300 -0.028 0.000 1.485 108 M CA 0.021 55.225 55.300 -0.160 0.000 1.094 108 M CB -0.285 32.161 32.600 -0.257 0.000 1.843 108 M HN 0.226 nan 8.290 nan 0.000 0.460 109 D N 3.535 123.952 120.400 0.028 0.000 2.472 109 D HA 0.313 4.953 4.640 -0.001 0.000 0.248 109 D C 1.242 177.637 176.300 0.158 0.000 1.174 109 D CA 1.083 55.147 54.000 0.106 0.000 0.883 109 D CB 0.522 41.345 40.800 0.037 0.000 1.149 109 D HN 0.726 nan 8.370 nan 0.000 0.488 110 A N 3.038 125.989 122.820 0.218 0.000 1.345 110 A HA -0.409 3.910 4.320 -0.001 0.000 0.222 110 A C 1.610 179.296 177.584 0.170 0.000 0.343 110 A CA 1.977 54.131 52.037 0.195 0.000 1.095 110 A CB -1.730 17.401 19.000 0.218 0.000 1.469 110 A HN 0.842 nan 8.150 nan 0.000 0.722 111 F N -3.390 116.531 119.950 -0.048 0.000 2.542 111 F HA -0.438 4.088 4.527 -0.001 0.000 0.730 111 F C 1.585 177.348 175.800 -0.061 0.000 0.487 111 F CA 2.875 60.817 58.000 -0.097 0.000 0.731 111 F CB -1.668 37.207 39.000 -0.207 0.000 1.596 111 F HN 0.579 nan 8.300 nan 0.000 0.273 112 Y N 0.075 120.195 120.300 -0.300 0.000 2.102 112 Y HA -0.299 4.250 4.550 -0.001 0.000 0.280 112 Y C 2.549 178.284 175.900 -0.276 0.000 1.178 112 Y CA 1.281 59.052 58.100 -0.547 0.000 1.146 112 Y CB -0.937 37.384 38.460 -0.233 0.000 0.968 112 Y HN 0.512 nan 8.280 nan 0.000 0.504 113 A N 0.089 122.953 122.820 0.073 0.000 1.872 113 A HA -0.061 4.258 4.320 -0.001 0.000 0.214 113 A C 2.275 179.867 177.584 0.013 0.000 1.187 113 A CA 1.305 53.375 52.037 0.055 0.000 0.614 113 A CB -1.082 17.967 19.000 0.082 0.000 0.826 113 A HN 0.402 nan 8.150 nan 0.000 0.442 114 A N -0.691 122.134 122.820 0.008 0.000 2.259 114 A HA 0.189 4.509 4.320 -0.001 0.000 0.212 114 A C 1.904 179.456 177.584 -0.054 0.000 1.178 114 A CA 1.488 53.520 52.037 -0.007 0.000 0.734 114 A CB -0.525 18.483 19.000 0.014 0.000 0.774 114 A HN 0.317 nan 8.150 nan 0.000 0.481 115 V N -0.796 119.051 119.914 -0.113 0.000 2.398 115 V HA -0.089 4.030 4.120 -0.001 0.000 0.236 115 V C 2.087 178.168 176.094 -0.022 0.000 1.054 115 V CA 1.698 63.928 62.300 -0.116 0.000 1.060 115 V CB -0.682 30.995 31.823 -0.243 0.000 0.707 115 V HN 0.517 nan 8.190 nan 0.000 0.480 116 E N -0.160 120.050 120.200 0.018 0.000 2.472 116 E HA -0.144 4.205 4.350 -0.001 0.000 0.200 116 E C 1.736 178.343 176.600 0.013 0.000 1.046 116 E CA 0.849 57.266 56.400 0.028 0.000 0.871 116 E CB -0.084 29.643 29.700 0.045 0.000 0.806 116 E HN 0.584 nan 8.360 nan 0.000 0.533 117 M N -0.225 119.380 119.600 0.008 0.000 2.384 117 M HA 0.023 4.502 4.480 -0.001 0.000 0.258 117 M C 1.132 177.440 176.300 0.012 0.000 1.130 117 M CA 0.933 56.240 55.300 0.012 0.000 1.187 117 M CB 0.461 33.071 32.600 0.017 0.000 1.307 117 M HN -0.132 nan 8.290 nan 0.000 0.468 118 R N 0.837 121.340 120.500 0.006 0.000 2.313 118 R HA 0.099 4.438 4.340 -0.001 0.000 0.199 118 R C -0.615 175.686 176.300 0.002 0.000 0.958 118 R CA 0.518 56.621 56.100 0.005 0.000 1.047 118 R CB -0.544 29.755 30.300 -0.001 0.000 0.955 118 R HN 0.386 nan 8.270 nan 0.000 0.481 119 D N -0.035 120.365 120.400 -0.000 0.000 2.772 119 D HA 0.184 4.823 4.640 -0.001 0.000 0.326 119 D C -0.719 175.581 176.300 0.000 0.000 1.207 119 D CA -0.115 53.885 54.000 -0.001 0.000 0.777 119 D CB -0.130 40.667 40.800 -0.005 0.000 1.169 119 D HN 0.103 nan 8.370 nan 0.000 0.506 120 N N 0.527 119.228 118.700 0.003 0.000 3.873 120 N HA -0.058 4.681 4.740 -0.001 0.000 0.108 120 N C -2.723 172.791 175.510 0.006 0.000 0.818 120 N CA -0.544 52.508 53.050 0.002 0.000 3.310 120 N CB 0.032 38.519 38.487 0.000 0.000 1.214 120 N HN -0.019 nan 8.380 nan 0.000 0.815 121 P HA -0.178 nan 4.420 nan 0.000 0.282 121 P C 0.548 177.857 177.300 0.014 0.000 1.406 121 P CA 1.135 64.243 63.100 0.014 0.000 1.018 121 P CB 0.323 32.031 31.700 0.013 0.000 0.835 122 E N -2.375 117.837 120.200 0.020 0.000 4.384 122 E HA -0.218 4.132 4.350 -0.001 0.000 0.192 122 E C 0.974 177.589 176.600 0.025 0.000 0.793 122 E CA 1.047 57.459 56.400 0.020 0.000 2.528 122 E CB -1.664 28.044 29.700 0.012 0.000 1.597 122 E HN 0.279 nan 8.360 nan 0.000 0.616 123 L N 1.276 122.512 121.223 0.022 0.000 2.270 123 L HA 0.041 4.381 4.340 -0.001 0.000 0.210 123 L C 1.965 178.861 176.870 0.043 0.000 1.104 123 L CA 1.254 56.106 54.840 0.019 0.000 0.804 123 L CB -0.363 41.700 42.059 0.007 0.000 0.937 123 L HN 0.062 nan 8.230 nan 0.000 0.450 124 K N -0.661 119.772 120.400 0.054 0.000 2.699 124 K HA -0.029 4.290 4.320 -0.001 0.000 0.205 124 K C 0.508 177.185 176.600 0.128 0.000 1.008 124 K CA 0.745 57.084 56.287 0.086 0.000 1.100 124 K CB -0.381 32.152 32.500 0.056 0.000 0.878 124 K HN 0.242 nan 8.250 nan 0.000 0.496 125 D N 0.207 120.685 120.400 0.130 0.000 3.194 125 D HA 0.151 4.791 4.640 -0.001 0.000 0.290 125 D C -0.172 176.271 176.300 0.239 0.000 1.280 125 D CA 0.428 54.518 54.000 0.151 0.000 1.058 125 D CB 0.646 41.496 40.800 0.083 0.000 1.241 125 D HN 0.103 nan 8.370 nan 0.000 0.421 126 K N 0.627 121.102 120.400 0.123 0.000 2.435 126 K HA 0.439 4.758 4.320 -0.001 0.000 0.251 126 K C -2.764 173.796 176.600 -0.065 0.000 0.954 126 K CA -1.842 54.491 56.287 0.075 0.000 0.820 126 K CB 2.326 34.864 32.500 0.063 0.000 1.292 126 K HN -0.255 nan 8.250 nan 0.000 0.436 127 P HA -0.209 nan 4.420 nan 0.000 0.255 127 P C -0.745 176.478 177.300 -0.128 0.000 1.104 127 P CA 1.144 64.140 63.100 -0.172 0.000 0.764 127 P CB 0.059 31.619 31.700 -0.233 0.000 0.682 128 I N 1.639 122.147 120.570 -0.103 0.000 4.787 128 I HA 0.858 5.027 4.170 -0.001 0.000 0.181 128 I C 0.097 176.199 176.117 -0.027 0.000 1.094 128 I CA -1.331 59.937 61.300 -0.053 0.000 1.670 128 I CB 0.346 38.328 38.000 -0.030 0.000 1.325 128 I HN 0.298 nan 8.210 nan 0.000 0.439 129 A N 0.271 123.094 122.820 0.006 0.000 1.121 129 A HA 0.345 4.664 4.320 -0.001 0.000 0.250 129 A C -1.353 176.260 177.584 0.047 0.000 0.625 129 A CA -0.687 51.368 52.037 0.030 0.000 0.462 129 A CB -0.689 18.322 19.000 0.019 0.000 1.063 129 A HN 0.293 nan 8.150 nan 0.000 0.340 130 V N 2.969 122.931 119.914 0.081 0.000 2.334 130 V HA 0.786 4.906 4.120 -0.001 0.000 0.267 130 V C 0.969 177.120 176.094 0.096 0.000 1.040 130 V CA 1.135 63.494 62.300 0.099 0.000 0.866 130 V CB 0.326 32.243 31.823 0.156 0.000 1.019 130 V HN 2.230 nan 8.190 nan 0.000 0.468 131 G N 3.841 112.677 108.800 0.059 0.000 2.498 131 G HA2 0.490 4.450 3.960 -0.001 0.000 0.181 131 G HA3 0.490 4.450 3.960 -0.001 0.000 0.181 131 G C -0.357 174.553 174.900 0.017 0.000 1.169 131 G CA 0.384 45.511 45.100 0.044 0.000 0.992 131 G HN 0.847 nan 8.290 nan 0.000 0.490 132 S N -1.648 114.054 115.700 0.002 0.000 3.206 132 S HA 0.645 5.114 4.470 -0.001 0.000 0.261 132 S C 1.187 175.774 174.600 -0.022 0.000 1.020 132 S CA 0.649 58.840 58.200 -0.015 0.000 1.078 132 S CB 1.343 64.525 63.200 -0.031 0.000 1.301 132 S HN 1.072 nan 8.310 nan 0.000 0.677 133 M N 0.476 120.049 119.600 -0.044 0.000 2.449 133 M HA 0.479 4.958 4.480 -0.001 0.000 0.262 133 M C 1.533 177.748 176.300 -0.141 0.000 1.152 133 M CA 0.841 56.108 55.300 -0.056 0.000 1.104 133 M CB 0.231 32.806 32.600 -0.043 0.000 1.416 133 M HN 0.554 nan 8.290 nan 0.000 0.519 134 S N 0.210 115.819 115.700 -0.152 0.000 2.575 134 S HA 0.438 4.907 4.470 -0.001 0.000 0.215 134 S C 0.149 174.640 174.600 -0.182 0.000 0.966 134 S CA 0.125 58.186 58.200 -0.232 0.000 0.911 134 S CB 0.027 63.117 63.200 -0.182 0.000 0.780 134 S HN 0.460 nan 8.310 nan 0.000 0.514 135 M N 0.310 119.847 119.600 -0.105 0.000 3.019 135 M HA 0.289 4.768 4.480 -0.001 0.000 0.256 135 M C -2.270 174.022 176.300 -0.012 0.000 0.911 135 M CA -0.215 55.050 55.300 -0.058 0.000 0.794 135 M CB 1.462 34.031 32.600 -0.053 0.000 1.643 135 M HN 0.020 nan 8.290 nan 0.000 0.572 136 L N -0.004 121.229 121.223 0.016 0.000 2.354 136 L HA 0.630 4.969 4.340 -0.001 0.000 0.264 136 L C 0.705 177.620 176.870 0.074 0.000 1.008 136 L CA 0.058 54.925 54.840 0.045 0.000 0.819 136 L CB 2.445 44.533 42.059 0.048 0.000 1.339 136 L HN 0.834 nan 8.230 nan 0.000 0.420 137 S N -1.165 114.607 115.700 0.118 0.000 2.524 137 S HA 0.290 4.760 4.470 -0.001 0.000 0.222 137 S C -0.002 174.716 174.600 0.198 0.000 1.040 137 S CA -0.054 58.259 58.200 0.188 0.000 0.915 137 S CB 0.776 64.153 63.200 0.294 0.000 0.831 137 S HN 0.755 nan 8.310 nan 0.000 0.492 138 T N 1.047 115.703 114.554 0.171 0.000 2.749 138 T HA 0.536 4.886 4.350 -0.001 0.000 0.310 138 T C -1.433 173.325 174.700 0.098 0.000 1.496 138 T CA -0.783 61.396 62.100 0.130 0.000 1.006 138 T CB 1.897 70.872 68.868 0.179 0.000 1.457 138 T HN 0.237 nan 8.240 nan 0.000 0.497 139 S N 0.959 116.704 115.700 0.075 0.000 2.627 139 S HA 0.698 5.167 4.470 -0.001 0.000 0.283 139 S C -1.014 173.630 174.600 0.073 0.000 1.127 139 S CA -1.040 57.196 58.200 0.060 0.000 0.863 139 S CB 1.816 65.042 63.200 0.043 0.000 1.121 139 S HN 0.848 nan 8.310 nan 0.000 0.479 140 N N -0.211 118.525 118.700 0.060 0.000 2.495 140 N HA 0.192 4.932 4.740 -0.001 0.000 0.280 140 N C 0.171 175.767 175.510 0.144 0.000 1.168 140 N CA -0.347 52.760 53.050 0.095 0.000 0.978 140 N CB 0.514 38.996 38.487 -0.008 0.000 1.191 140 N HN 0.648 nan 8.380 nan 0.000 0.497 141 Y N 0.995 121.324 120.300 0.050 0.000 1.993 141 Y HA -0.251 4.299 4.550 -0.001 0.000 0.267 141 Y C 2.049 178.042 175.900 0.156 0.000 1.155 141 Y CA 2.326 60.495 58.100 0.114 0.000 1.105 141 Y CB -0.648 37.914 38.460 0.171 0.000 0.960 141 Y HN 0.709 nan 8.280 nan 0.000 0.486 142 H N -1.259 117.967 119.070 0.259 0.000 2.645 142 H HA 0.583 5.139 4.556 -0.001 0.000 0.300 142 H C 0.939 176.431 175.328 0.273 0.000 1.065 142 H CA 0.591 56.764 56.048 0.209 0.000 1.173 142 H CB -0.376 29.492 29.762 0.176 0.000 1.383 142 H HN 0.352 nan 8.280 nan 0.000 0.566 143 A N 0.955 123.834 122.820 0.098 0.000 2.026 143 A HA 0.088 4.407 4.320 -0.001 0.000 0.201 143 A C 2.400 180.122 177.584 0.230 0.000 1.318 143 A CA 0.109 52.202 52.037 0.093 0.000 0.857 143 A CB 0.019 18.995 19.000 -0.040 0.000 0.939 143 A HN 0.334 nan 8.150 nan 0.000 0.476 144 R N 0.229 120.820 120.500 0.151 0.000 2.148 144 R HA -0.005 4.334 4.340 -0.001 0.000 0.227 144 R C 2.153 178.532 176.300 0.131 0.000 1.103 144 R CA 1.068 57.233 56.100 0.108 0.000 0.983 144 R CB -0.290 30.013 30.300 0.006 0.000 0.874 144 R HN 0.432 nan 8.270 nan 0.000 0.451 145 R N -0.295 120.294 120.500 0.148 0.000 2.226 145 R HA -0.173 4.166 4.340 -0.001 0.000 0.246 145 R C 0.407 176.595 176.300 -0.188 0.000 1.161 145 R CA 1.328 57.399 56.100 -0.048 0.000 0.997 145 R CB -0.103 30.102 30.300 -0.159 0.000 0.870 145 R HN 0.251 nan 8.270 nan 0.000 0.465 146 F N -1.173 118.785 119.950 0.014 0.000 2.727 146 F HA 0.308 4.835 4.527 -0.001 0.000 0.302 146 F C 1.533 177.337 175.800 0.006 0.000 1.097 146 F CA 0.511 58.517 58.000 0.011 0.000 1.330 146 F CB 0.801 39.808 39.000 0.012 0.000 1.084 146 F HN 0.188 nan 8.300 nan 0.000 0.578 147 G N -0.115 108.775 108.800 0.150 0.000 2.159 147 G HA2 -0.237 3.723 3.960 -0.001 0.000 0.227 147 G HA3 -0.237 3.723 3.960 -0.001 0.000 0.227 147 G C 0.128 175.081 174.900 0.090 0.000 0.986 147 G CA -0.022 45.132 45.100 0.090 0.000 0.651 147 G HN 0.092 nan 8.290 nan 0.000 0.523 148 V N 3.224 123.205 119.914 0.113 0.000 2.070 148 V HA 0.236 4.355 4.120 -0.001 0.000 0.239 148 V C 1.031 177.159 176.094 0.055 0.000 1.472 148 V CA -0.176 62.170 62.300 0.078 0.000 1.453 148 V CB -0.560 31.304 31.823 0.069 0.000 1.503 148 V HN 0.313 nan 8.190 nan 0.000 0.501 149 R N 2.421 122.949 120.500 0.046 0.000 2.441 149 R HA 0.623 4.962 4.340 -0.001 0.000 0.284 149 R C 0.727 177.049 176.300 0.036 0.000 1.070 149 R CA -0.061 56.057 56.100 0.030 0.000 1.047 149 R CB 0.994 31.309 30.300 0.026 0.000 1.016 149 R HN 0.563 nan 8.270 nan 0.000 0.477 150 A N 1.873 124.712 122.820 0.030 0.000 2.504 150 A HA 0.248 4.567 4.320 -0.001 0.000 0.257 150 A C 0.872 178.482 177.584 0.043 0.000 1.136 150 A CA 0.743 52.804 52.037 0.041 0.000 0.823 150 A CB -0.428 18.592 19.000 0.033 0.000 1.085 150 A HN 1.077 nan 8.150 nan 0.000 0.521 151 A N -1.861 120.988 122.820 0.048 0.000 2.771 151 A HA -0.175 4.144 4.320 -0.001 0.000 0.294 151 A C 0.315 177.925 177.584 0.043 0.000 1.500 151 A CA 1.918 53.981 52.037 0.043 0.000 0.829 151 A CB -2.102 16.922 19.000 0.041 0.000 0.998 151 A HN 1.713 nan 8.150 nan 0.000 0.526 152 M N -0.872 118.755 119.600 0.045 0.000 2.456 152 M HA 0.627 5.106 4.480 -0.001 0.000 0.324 152 M C -2.703 173.625 176.300 0.047 0.000 1.124 152 M CA -2.392 52.940 55.300 0.054 0.000 0.959 152 M CB 1.682 34.320 32.600 0.062 0.000 1.692 152 M HN -0.002 nan 8.290 nan 0.000 0.444 153 P HA 0.093 nan 4.420 nan 0.000 0.271 153 P C -0.010 177.336 177.300 0.077 0.000 1.238 153 P CA 0.235 63.355 63.100 0.034 0.000 0.794 153 P CB 0.472 32.242 31.700 0.117 0.000 0.959 154 G N 0.407 109.216 108.800 0.015 0.000 2.417 154 G HA2 -0.145 3.815 3.960 -0.001 0.000 0.212 154 G HA3 -0.145 3.815 3.960 -0.001 0.000 0.212 154 G C 1.143 176.161 174.900 0.197 0.000 1.187 154 G CA 0.105 45.240 45.100 0.058 0.000 0.804 154 G HN 0.670 nan 8.290 nan 0.000 0.534 155 F N -0.177 119.767 119.950 -0.010 0.000 2.722 155 F HA 0.309 4.836 4.527 -0.001 0.000 0.298 155 F C 1.867 177.663 175.800 -0.006 0.000 1.175 155 F CA -0.118 57.878 58.000 -0.008 0.000 1.462 155 F CB -0.186 38.811 39.000 -0.006 0.000 1.111 155 F HN 0.067 nan 8.300 nan 0.000 0.592 156 I N 1.040 121.866 120.570 0.427 0.000 2.729 156 I HA 0.002 4.171 4.170 -0.001 0.000 0.256 156 I C 2.816 178.983 176.117 0.083 0.000 1.115 156 I CA 0.827 62.200 61.300 0.123 0.000 1.446 156 I CB -0.381 37.722 38.000 0.172 0.000 1.176 156 I HN 0.176 nan 8.210 nan 0.000 0.446 157 A N 0.524 123.408 122.820 0.107 0.000 2.125 157 A HA -0.226 4.093 4.320 -0.001 0.000 0.219 157 A C 2.117 179.723 177.584 0.037 0.000 1.156 157 A CA 1.614 53.690 52.037 0.065 0.000 0.671 157 A CB -0.310 18.726 19.000 0.059 0.000 0.794 157 A HN 0.229 nan 8.150 nan 0.000 0.459 158 K N -0.104 120.325 120.400 0.048 0.000 2.021 158 K HA 0.000 4.320 4.320 -0.001 0.000 0.205 158 K C 1.918 178.519 176.600 0.001 0.000 1.047 158 K CA 0.853 57.152 56.287 0.020 0.000 0.943 158 K CB -0.097 32.431 32.500 0.046 0.000 0.725 158 K HN 0.227 nan 8.250 nan 0.000 0.439 159 R N 0.434 120.933 120.500 -0.003 0.000 2.293 159 R HA -0.061 4.278 4.340 -0.001 0.000 0.219 159 R C 1.822 178.121 176.300 -0.002 0.000 1.091 159 R CA 0.663 56.751 56.100 -0.020 0.000 1.004 159 R CB -0.538 29.728 30.300 -0.058 0.000 0.865 159 R HN 0.210 nan 8.270 nan 0.000 0.469 160 L N -1.304 119.928 121.223 0.015 0.000 2.298 160 L HA 0.103 4.442 4.340 -0.001 0.000 0.209 160 L C 0.430 177.336 176.870 0.059 0.000 1.084 160 L CA 0.870 55.740 54.840 0.050 0.000 0.816 160 L CB 0.481 42.581 42.059 0.068 0.000 0.967 160 L HN 0.095 nan 8.230 nan 0.000 0.460 161 C N -0.330 118.959 119.300 -0.019 0.000 2.919 161 C HA 0.382 4.841 4.460 -0.001 0.000 0.337 161 C C -1.501 173.410 174.990 -0.132 0.000 1.039 161 C CA -1.339 57.590 59.018 -0.147 0.000 1.373 161 C CB 0.507 28.043 27.740 -0.339 0.000 1.843 161 C HN 0.146 nan 8.230 nan 0.000 0.493 162 P HA -0.188 nan 4.420 nan 0.000 0.216 162 P C 0.652 177.904 177.300 -0.079 0.000 1.154 162 P CA 1.487 64.549 63.100 -0.063 0.000 0.865 162 P CB 0.034 31.709 31.700 -0.042 0.000 0.789 163 Q N -0.481 119.245 119.800 -0.125 0.000 2.938 163 Q HA 0.226 4.565 4.340 -0.001 0.000 0.343 163 Q C -0.462 175.460 176.000 -0.130 0.000 1.185 163 Q CA -0.326 55.408 55.803 -0.114 0.000 0.939 163 Q CB -0.622 28.044 28.738 -0.120 0.000 1.480 163 Q HN 0.085 nan 8.270 nan 0.000 0.442 164 L N 1.824 122.986 121.223 -0.100 0.000 2.261 164 L HA 0.330 4.669 4.340 -0.001 0.000 0.289 164 L C -0.522 176.320 176.870 -0.048 0.000 1.059 164 L CA -0.506 54.284 54.840 -0.083 0.000 0.816 164 L CB 0.757 42.781 42.059 -0.059 0.000 1.191 164 L HN 0.456 nan 8.230 nan 0.000 0.431 165 I N 7.129 127.671 120.570 -0.047 0.000 2.191 165 I HA 0.114 4.283 4.170 -0.001 0.000 0.289 165 I C 0.471 176.580 176.117 -0.014 0.000 1.141 165 I CA -0.313 60.970 61.300 -0.027 0.000 1.430 165 I CB -0.437 37.546 38.000 -0.028 0.000 1.497 165 I HN 0.543 nan 8.210 nan 0.000 0.636 166 I N 2.380 122.946 120.570 -0.007 0.000 2.725 166 I HA 0.105 4.275 4.170 -0.001 0.000 0.296 166 I C 0.147 176.267 176.117 0.005 0.000 1.155 166 I CA -0.138 61.164 61.300 0.004 0.000 1.450 166 I CB -0.435 37.569 38.000 0.005 0.000 1.478 166 I HN 0.010 nan 8.210 nan 0.000 0.642 167 V N 8.244 128.165 119.914 0.012 0.000 2.614 167 V HA 0.237 4.357 4.120 -0.001 0.000 0.291 167 V C -1.449 174.654 176.094 0.015 0.000 1.049 167 V CA -1.316 60.991 62.300 0.012 0.000 1.038 167 V CB 0.672 32.506 31.823 0.018 0.000 0.980 167 V HN 0.674 nan 8.190 nan 0.000 0.481 168 P HA 0.149 nan 4.420 nan 0.000 0.269 168 P C -2.577 174.720 177.300 -0.006 0.000 1.215 168 P CA -1.603 61.495 63.100 -0.003 0.000 0.780 168 P CB -0.111 31.581 31.700 -0.013 0.000 0.898 169 P HA 0.034 nan 4.420 nan 0.000 0.264 169 P C 0.278 177.498 177.300 -0.134 0.000 1.537 169 P CA 0.074 63.158 63.100 -0.028 0.000 1.189 169 P CB -0.499 31.198 31.700 -0.006 0.000 1.687 170 N N 2.001 120.525 118.700 -0.293 0.000 2.668 170 N HA -0.115 4.625 4.740 -0.001 0.000 0.201 170 N C 1.358 176.276 175.510 -0.986 0.000 1.408 170 N CA 0.100 52.849 53.050 -0.503 0.000 0.905 170 N CB -0.585 37.661 38.487 -0.401 0.000 1.093 170 N HN 0.425 nan 8.380 nan 0.000 0.453 171 F N 1.235 120.604 119.950 -0.970 0.000 2.194 171 F HA -0.354 4.172 4.527 -0.001 0.000 0.297 171 F C 1.417 176.918 175.800 -0.499 0.000 1.028 171 F CA 1.489 59.037 58.000 -0.753 0.000 1.333 171 F CB -0.246 38.584 39.000 -0.282 0.000 1.087 171 F HN 0.044 nan 8.300 nan 0.000 0.517 172 D N 1.415 121.093 120.400 -1.204 0.000 2.083 172 D HA -0.200 4.439 4.640 -0.001 0.000 0.199 172 D C 2.199 178.187 176.300 -0.519 0.000 0.980 172 D CA 2.103 55.515 54.000 -0.980 0.000 0.851 172 D CB -0.443 39.955 40.800 -0.669 0.000 0.997 172 D HN 0.583 nan 8.370 nan 0.000 0.449 173 K N 0.308 120.463 120.400 -0.409 0.000 2.520 173 K HA -0.180 4.139 4.320 -0.001 0.000 0.197 173 K C 1.970 178.566 176.600 -0.007 0.000 1.044 173 K CA 1.133 57.308 56.287 -0.187 0.000 0.938 173 K CB -0.555 31.861 32.500 -0.141 0.000 0.767 173 K HN 0.430 nan 8.250 nan 0.000 0.481 174 Y N 1.106 121.343 120.300 -0.105 0.000 2.130 174 Y HA -0.054 4.496 4.550 -0.001 0.000 0.287 174 Y C 2.636 178.600 175.900 0.108 0.000 1.124 174 Y CA 0.403 58.498 58.100 -0.008 0.000 1.118 174 Y CB -0.115 38.385 38.460 0.067 0.000 0.994 174 Y HN -0.022 nan 8.280 nan 0.000 0.497 175 R N 0.365 121.012 120.500 0.245 0.000 2.117 175 R HA -0.221 4.118 4.340 -0.001 0.000 0.243 175 R C 2.433 178.811 176.300 0.130 0.000 1.143 175 R CA 1.227 57.438 56.100 0.186 0.000 0.968 175 R CB -0.489 29.874 30.300 0.105 0.000 0.863 175 R HN 0.335 nan 8.270 nan 0.000 0.444 176 A N 0.191 123.055 122.820 0.074 0.000 1.969 176 A HA -0.067 4.253 4.320 -0.001 0.000 0.218 176 A C 2.153 179.790 177.584 0.088 0.000 1.169 176 A CA 1.128 53.196 52.037 0.053 0.000 0.635 176 A CB -0.022 18.980 19.000 0.002 0.000 0.810 176 A HN 0.139 nan 8.150 nan 0.000 0.445 177 V N -0.871 119.122 119.914 0.131 0.000 3.235 177 V HA -0.063 4.056 4.120 -0.001 0.000 0.259 177 V C 2.536 178.758 176.094 0.213 0.000 1.133 177 V CA 1.680 64.068 62.300 0.147 0.000 1.128 177 V CB -0.034 31.863 31.823 0.122 0.000 0.757 177 V HN 0.608 nan 8.190 nan 0.000 0.469 178 S N 0.337 116.192 115.700 0.259 0.000 2.348 178 S HA -0.177 4.292 4.470 -0.001 0.000 0.219 178 S C 2.058 176.738 174.600 0.134 0.000 1.033 178 S CA 1.525 59.859 58.200 0.222 0.000 0.974 178 S CB -0.181 63.158 63.200 0.232 0.000 0.868 178 S HN 0.529 nan 8.310 nan 0.000 0.459 179 K N 0.722 121.200 120.400 0.130 0.000 2.442 179 K HA -0.071 4.249 4.320 -0.001 0.000 0.199 179 K C 1.909 178.566 176.600 0.095 0.000 1.044 179 K CA 1.226 57.579 56.287 0.110 0.000 0.941 179 K CB -0.070 32.486 32.500 0.094 0.000 0.759 179 K HN 0.465 nan 8.250 nan 0.000 0.472 180 E N -0.701 119.554 120.200 0.093 0.000 2.170 180 E HA -0.096 4.254 4.350 -0.001 0.000 0.191 180 E C 1.630 178.268 176.600 0.063 0.000 0.981 180 E CA 0.579 57.024 56.400 0.076 0.000 0.830 180 E CB 0.363 30.107 29.700 0.074 0.000 0.775 180 E HN 0.142 nan 8.360 nan 0.000 0.470 181 V N 0.482 120.431 119.914 0.058 0.000 2.825 181 V HA -0.066 4.054 4.120 -0.001 0.000 0.246 181 V C 1.664 177.757 176.094 -0.003 0.000 1.068 181 V CA 1.098 63.406 62.300 0.012 0.000 1.088 181 V CB -0.047 31.765 31.823 -0.018 0.000 0.733 181 V HN 0.119 nan 8.190 nan 0.000 0.468 182 K N -0.018 120.404 120.400 0.036 0.000 2.211 182 K HA -0.219 4.101 4.320 -0.001 0.000 0.204 182 K C 1.828 178.512 176.600 0.140 0.000 1.047 182 K CA 1.800 58.140 56.287 0.089 0.000 0.935 182 K CB -0.090 32.520 32.500 0.184 0.000 0.728 182 K HN 0.615 nan 8.250 nan 0.000 0.452 183 E N 0.888 121.153 120.200 0.109 0.000 2.002 183 E HA -0.232 4.117 4.350 -0.001 0.000 0.213 183 E C 1.893 178.567 176.600 0.123 0.000 1.024 183 E CA 1.752 58.220 56.400 0.114 0.000 0.876 183 E CB -0.301 29.451 29.700 0.086 0.000 0.799 183 E HN 0.227 nan 8.360 nan 0.000 0.497 184 I N 1.490 122.118 120.570 0.096 0.000 2.358 184 I HA -0.351 3.819 4.170 -0.001 0.000 0.257 184 I C 2.287 178.500 176.117 0.160 0.000 1.123 184 I CA 0.826 62.199 61.300 0.122 0.000 1.393 184 I CB -0.631 37.412 38.000 0.071 0.000 1.073 184 I HN 0.193 nan 8.210 nan 0.000 0.437 185 L N 0.857 122.129 121.223 0.082 0.000 1.899 185 L HA -0.228 4.111 4.340 -0.001 0.000 0.220 185 L C 2.969 179.983 176.870 0.240 0.000 1.091 185 L CA 1.548 56.402 54.840 0.025 0.000 0.781 185 L CB -1.059 40.810 42.059 -0.317 0.000 0.886 185 L HN 0.275 nan 8.230 nan 0.000 0.430 186 A N -0.159 122.924 122.820 0.439 0.000 2.030 186 A HA -0.397 3.923 4.320 -0.001 0.000 0.226 186 A C 1.900 179.643 177.584 0.264 0.000 1.282 186 A CA 2.525 54.810 52.037 0.414 0.000 0.691 186 A CB -1.135 18.028 19.000 0.273 0.000 0.829 186 A HN 0.646 nan 8.150 nan 0.000 0.497 187 D N -1.564 118.965 120.400 0.216 0.000 2.205 187 D HA -0.229 4.410 4.640 -0.001 0.000 0.190 187 D C 1.787 178.154 176.300 0.111 0.000 1.002 187 D CA 2.308 56.381 54.000 0.122 0.000 0.848 187 D CB -0.334 40.490 40.800 0.041 0.000 0.975 187 D HN 0.681 nan 8.370 nan 0.000 0.449 188 Y N 0.127 120.497 120.300 0.117 0.000 2.242 188 Y HA -0.051 4.499 4.550 -0.001 0.000 0.291 188 Y C 0.975 176.936 175.900 0.100 0.000 1.137 188 Y CA 0.667 58.820 58.100 0.088 0.000 1.181 188 Y CB 0.134 38.494 38.460 -0.166 0.000 0.989 188 Y HN -0.105 nan 8.280 nan 0.000 0.527 189 D N -0.292 120.273 120.400 0.274 0.000 2.473 189 D HA 0.169 4.809 4.640 -0.001 0.000 0.253 189 D C -2.155 174.304 176.300 0.265 0.000 1.233 189 D CA -2.736 51.401 54.000 0.229 0.000 0.908 189 D CB 1.731 42.650 40.800 0.199 0.000 1.170 189 D HN -0.122 nan 8.370 nan 0.000 0.558 190 P HA -0.143 nan 4.420 nan 0.000 0.205 190 P C 0.350 177.688 177.300 0.064 0.000 1.193 190 P CA 0.699 63.869 63.100 0.115 0.000 0.929 190 P CB 0.048 31.794 31.700 0.076 0.000 0.772 191 N N 0.566 119.295 118.700 0.048 0.000 2.605 191 N HA 0.060 4.800 4.740 -0.001 0.000 0.282 191 N C -0.212 175.351 175.510 0.089 0.000 1.206 191 N CA -0.396 52.659 53.050 0.008 0.000 1.074 191 N CB -1.111 37.389 38.487 0.022 0.000 1.434 191 N HN -0.009 nan 8.380 nan 0.000 0.506 192 F N 0.805 120.781 119.950 0.044 0.000 2.461 192 F HA 0.647 5.173 4.527 -0.001 0.000 0.337 192 F C -0.107 175.725 175.800 0.053 0.000 1.079 192 F CA -1.620 56.408 58.000 0.047 0.000 1.032 192 F CB 0.927 39.951 39.000 0.040 0.000 1.327 192 F HN 0.123 nan 8.300 nan 0.000 0.491 193 M N 2.532 122.559 119.600 0.712 0.000 2.032 193 M HA 0.566 5.046 4.480 -0.001 0.000 0.221 193 M C -1.309 175.243 176.300 0.420 0.000 0.941 193 M CA -0.476 55.095 55.300 0.451 0.000 0.895 193 M CB 0.710 33.468 32.600 0.263 0.000 2.146 193 M HN 1.040 nan 8.290 nan 0.000 0.366 194 A N 3.429 126.567 122.820 0.528 0.000 2.531 194 A HA 0.268 4.587 4.320 -0.001 0.000 0.236 194 A C 0.822 178.468 177.584 0.104 0.000 1.062 194 A CA -0.016 52.144 52.037 0.205 0.000 0.760 194 A CB 0.443 19.602 19.000 0.264 0.000 0.995 194 A HN 0.934 nan 8.150 nan 0.000 0.501 195 M N 1.082 120.670 119.600 -0.021 0.000 2.398 195 M HA 0.039 4.519 4.480 -0.001 0.000 0.261 195 M C 1.333 177.627 176.300 -0.011 0.000 1.125 195 M CA 1.905 57.194 55.300 -0.018 0.000 1.183 195 M CB -1.085 31.453 32.600 -0.104 0.000 1.322 195 M HN 1.022 nan 8.290 nan 0.000 0.467 196 S N -1.383 114.281 115.700 -0.060 0.000 3.939 196 S HA 0.448 4.917 4.470 -0.001 0.000 0.302 196 S C 0.878 175.435 174.600 -0.071 0.000 1.108 196 S CA -0.717 57.462 58.200 -0.036 0.000 1.225 196 S CB 0.639 63.811 63.200 -0.047 0.000 1.467 196 S HN 0.223 nan 8.310 nan 0.000 0.735 197 L N 1.516 122.685 121.223 -0.089 0.000 2.249 197 L HA 0.275 4.614 4.340 -0.001 0.000 0.207 197 L C 1.466 177.960 176.870 -0.628 0.000 1.090 197 L CA 1.221 55.974 54.840 -0.146 0.000 0.802 197 L CB -0.427 41.737 42.059 0.174 0.000 0.947 197 L HN 0.823 nan 8.230 nan 0.000 0.453 198 D N 0.210 120.203 120.400 -0.679 0.000 2.463 198 D HA 0.043 4.683 4.640 -0.001 0.000 0.224 198 D C -0.067 175.924 176.300 -0.516 0.000 1.174 198 D CA -0.004 53.493 54.000 -0.838 0.000 0.829 198 D CB 0.467 40.812 40.800 -0.757 0.000 0.993 198 D HN 0.568 nan 8.370 nan 0.000 0.497 199 E N -1.001 118.938 120.200 -0.435 0.000 2.388 199 E HA 0.606 4.956 4.350 -0.001 0.000 0.282 199 E C -1.957 174.388 176.600 -0.426 0.000 1.026 199 E CA -1.312 54.804 56.400 -0.474 0.000 0.820 199 E CB 1.598 31.063 29.700 -0.392 0.000 1.226 199 E HN 0.077 nan 8.360 nan 0.000 0.432 200 A N 1.326 123.823 122.820 -0.537 0.000 2.577 200 A HA 0.571 4.890 4.320 -0.001 0.000 0.297 200 A C -2.131 175.245 177.584 -0.345 0.000 1.060 200 A CA -0.798 51.003 52.037 -0.393 0.000 0.697 200 A CB 0.930 19.708 19.000 -0.370 0.000 1.281 200 A HN 0.460 nan 8.150 nan 0.000 0.402 201 Y N 0.743 121.025 120.300 -0.030 0.000 2.376 201 Y HA 0.745 5.294 4.550 -0.001 0.000 0.325 201 Y C 0.357 176.252 175.900 -0.008 0.000 1.199 201 Y CA -0.763 57.342 58.100 0.009 0.000 1.206 201 Y CB 1.716 40.217 38.460 0.069 0.000 1.229 201 Y HN 0.794 nan 8.280 nan 0.000 0.480 202 L N -0.005 121.313 121.223 0.159 0.000 2.565 202 L HA 0.494 4.834 4.340 -0.001 0.000 0.261 202 L C -1.043 175.851 176.870 0.040 0.000 0.932 202 L CA -0.861 54.033 54.840 0.089 0.000 0.878 202 L CB 1.923 43.980 42.059 -0.003 0.000 1.333 202 L HN 0.633 nan 8.230 nan 0.000 0.409 203 N N 3.819 122.544 118.700 0.041 0.000 3.050 203 N HA 0.203 4.943 4.740 -0.001 0.000 0.289 203 N C 0.684 176.195 175.510 0.002 0.000 1.209 203 N CA -0.414 52.634 53.050 -0.004 0.000 1.154 203 N CB 0.397 38.867 38.487 -0.027 0.000 1.444 203 N HN 0.853 nan 8.380 nan 0.000 0.529 204 I N 0.564 121.122 120.570 -0.021 0.000 3.426 204 I HA 0.012 4.182 4.170 -0.001 0.000 0.295 204 I C 1.199 177.310 176.117 -0.010 0.000 1.215 204 I CA 0.068 61.354 61.300 -0.023 0.000 1.383 204 I CB -0.184 37.745 38.000 -0.117 0.000 1.110 204 I HN 0.188 nan 8.210 nan 0.000 0.540 205 T N 1.077 115.630 114.554 -0.002 0.000 2.852 205 T HA -0.023 4.326 4.350 -0.001 0.000 0.256 205 T C 1.765 176.478 174.700 0.021 0.000 1.038 205 T CA 1.379 63.475 62.100 -0.007 0.000 1.141 205 T CB 0.101 68.951 68.868 -0.030 0.000 0.869 205 T HN 0.551 nan 8.240 nan 0.000 0.439 206 K N -0.048 120.375 120.400 0.038 0.000 1.985 206 K HA -0.161 4.159 4.320 -0.001 0.000 0.210 206 K C 2.157 178.799 176.600 0.069 0.000 1.047 206 K CA 1.957 58.273 56.287 0.048 0.000 0.932 206 K CB -0.561 31.973 32.500 0.056 0.000 0.716 206 K HN 0.554 nan 8.250 nan 0.000 0.439 207 H N 0.828 119.888 119.070 -0.016 0.000 2.472 207 H HA -0.155 4.401 4.556 -0.001 0.000 0.296 207 H C 1.830 177.072 175.328 -0.144 0.000 1.120 207 H CA 1.548 57.555 56.048 -0.068 0.000 1.250 207 H CB -0.021 29.720 29.762 -0.035 0.000 1.366 207 H HN 0.098 nan 8.280 nan 0.000 0.524 208 L N -0.264 121.027 121.223 0.113 0.000 2.131 208 L HA -0.084 4.255 4.340 -0.001 0.000 0.206 208 L C 2.600 179.451 176.870 -0.033 0.000 1.087 208 L CA 1.275 56.137 54.840 0.037 0.000 0.767 208 L CB -0.253 41.819 42.059 0.022 0.000 0.917 208 L HN 0.304 nan 8.230 nan 0.000 0.441 209 E N 0.639 120.831 120.200 -0.014 0.000 2.204 209 E HA -0.213 4.136 4.350 -0.001 0.000 0.195 209 E C 1.883 178.481 176.600 -0.004 0.000 0.990 209 E CA 1.343 57.740 56.400 -0.005 0.000 0.821 209 E CB 0.103 29.808 29.700 0.008 0.000 0.750 209 E HN 0.429 nan 8.360 nan 0.000 0.477 210 E N -0.683 119.496 120.200 -0.035 0.000 2.250 210 E HA -0.029 4.320 4.350 -0.001 0.000 0.192 210 E C 1.727 178.264 176.600 -0.105 0.000 0.986 210 E CA 0.222 56.639 56.400 0.028 0.000 0.849 210 E CB 0.033 29.789 29.700 0.094 0.000 0.797 210 E HN -0.013 nan 8.360 nan 0.000 0.482 211 R N 1.822 122.049 120.500 -0.454 0.000 2.369 211 R HA -0.125 4.214 4.340 -0.001 0.000 0.200 211 R C 1.774 177.969 176.300 -0.174 0.000 1.046 211 R CA 0.631 56.318 56.100 -0.689 0.000 1.057 211 R CB -0.125 29.888 30.300 -0.478 0.000 0.888 211 R HN 0.160 nan 8.270 nan 0.000 0.474 212 Q N -0.024 119.759 119.800 -0.029 0.000 1.861 212 Q HA -0.197 4.143 4.340 -0.001 0.000 0.242 212 Q C 0.452 176.509 176.000 0.096 0.000 1.025 212 Q CA 2.072 57.902 55.803 0.044 0.000 0.886 212 Q CB -0.547 28.228 28.738 0.062 0.000 0.969 212 Q HN 0.158 nan 8.270 nan 0.000 0.418 213 N N -1.310 117.485 118.700 0.158 0.000 2.275 213 N HA 0.083 4.822 4.740 -0.001 0.000 0.236 213 N C -1.118 174.532 175.510 0.233 0.000 1.154 213 N CA -0.238 52.904 53.050 0.154 0.000 0.866 213 N CB 0.142 38.688 38.487 0.098 0.000 1.093 213 N HN 0.181 nan 8.380 nan 0.000 0.515 214 W N 2.784 124.085 121.300 0.002 0.000 2.477 214 W HA 0.000 4.660 4.660 -0.001 0.000 0.339 214 W C -1.690 174.838 176.519 0.014 0.000 1.195 214 W CA -0.354 56.992 57.345 0.002 0.000 1.324 214 W CB -0.524 28.940 29.460 0.007 0.000 1.170 214 W HN 0.110 nan 8.180 nan 0.000 0.570 215 P HA -0.066 nan 4.420 nan 0.000 0.271 215 P C 0.732 178.093 177.300 0.101 0.000 1.244 215 P CA 0.079 63.211 63.100 0.053 0.000 0.793 215 P CB 0.644 32.320 31.700 -0.040 0.000 0.984 216 E N 0.785 121.024 120.200 0.066 0.000 2.409 216 E HA -0.166 4.183 4.350 -0.001 0.000 0.198 216 E C 1.193 177.828 176.600 0.058 0.000 1.024 216 E CA 0.961 57.401 56.400 0.067 0.000 0.861 216 E CB -0.417 29.305 29.700 0.037 0.000 0.788 216 E HN 0.618 nan 8.360 nan 0.000 0.521 217 D N 1.539 121.959 120.400 0.034 0.000 2.149 217 D HA -0.137 4.503 4.640 -0.001 0.000 0.206 217 D C 1.329 177.630 176.300 0.001 0.000 0.967 217 D CA 0.737 54.742 54.000 0.008 0.000 0.848 217 D CB -0.055 40.731 40.800 -0.023 0.000 0.998 217 D HN 0.166 nan 8.370 nan 0.000 0.474 218 K N 0.326 120.724 120.400 -0.002 0.000 2.555 218 K HA 0.069 4.389 4.320 -0.001 0.000 0.193 218 K C 1.133 177.914 176.600 0.301 0.000 1.032 218 K CA 0.092 56.383 56.287 0.006 0.000 1.004 218 K CB 0.004 32.342 32.500 -0.270 0.000 0.804 218 K HN 0.071 nan 8.250 nan 0.000 0.496 219 R N 1.630 122.321 120.500 0.319 0.000 2.893 219 R HA 0.145 4.484 4.340 -0.001 0.000 0.317 219 R C 1.173 177.632 176.300 0.266 0.000 1.239 219 R CA -0.261 56.105 56.100 0.444 0.000 1.128 219 R CB 0.097 30.607 30.300 0.349 0.000 1.377 219 R HN 0.206 nan 8.270 nan 0.000 0.583 220 R N 0.846 121.370 120.500 0.041 0.000 2.149 220 R HA -0.140 4.200 4.340 -0.001 0.000 0.177 220 R C -0.445 175.793 176.300 -0.104 0.000 0.933 220 R CA 1.047 57.055 56.100 -0.154 0.000 1.168 220 R CB -0.130 29.945 30.300 -0.375 0.000 0.669 220 R HN 0.170 nan 8.270 nan 0.000 0.554 221 Y N -0.083 120.103 120.300 -0.191 0.000 2.725 221 Y HA -0.224 4.325 4.550 -0.001 0.000 0.098 221 Y C -0.516 175.368 175.900 -0.027 0.000 1.819 221 Y CA 0.374 58.359 58.100 -0.192 0.000 1.226 221 Y CB -1.692 36.901 38.460 0.223 0.000 1.865 221 Y HN 0.299 nan 8.280 nan 0.000 0.293 222 F N 2.293 122.417 119.950 0.291 0.000 2.525 222 F HA 0.974 5.500 4.527 -0.001 0.000 0.346 222 F C 0.324 176.292 175.800 0.281 0.000 1.072 222 F CA -2.337 55.798 58.000 0.225 0.000 1.033 222 F CB 1.022 40.079 39.000 0.096 0.000 1.324 222 F HN 0.226 nan 8.300 nan 0.000 0.491 283 S N -1.268 114.503 115.700 0.120 0.000 3.952 283 S HA -0.076 4.393 4.470 -0.001 0.000 0.630 283 S C -0.827 173.762 174.600 -0.018 0.000 2.068 283 S CA 0.919 59.162 58.200 0.071 0.000 3.540 283 S CB -1.449 61.761 63.200 0.016 0.000 0.262 283 S HN 1.761 nan 8.310 nan 0.000 0.918 284 V N -2.558 117.283 119.914 -0.122 0.000 3.322 284 V HA 0.162 4.281 4.120 -0.001 0.000 0.477 284 V C -0.394 175.389 176.094 -0.517 0.000 0.682 284 V CA 0.358 62.471 62.300 -0.312 0.000 2.020 284 V CB -1.373 30.209 31.823 -0.401 0.000 2.473 284 V HN 1.963 nan 8.190 nan 0.000 0.500 285 V N 6.814 126.436 119.914 -0.486 0.000 3.093 285 V HA 0.993 5.112 4.120 -0.001 0.000 0.320 285 V C -0.085 175.670 176.094 -0.566 0.000 1.093 285 V CA -0.662 61.386 62.300 -0.420 0.000 1.016 285 V CB 2.249 33.999 31.823 -0.122 0.000 1.096 285 V HN 1.034 nan 8.190 nan 0.000 0.452 286 F N 1.748 121.752 119.950 0.090 0.000 2.561 286 F HA 0.634 5.160 4.527 -0.001 0.000 0.313 286 F C 0.852 176.692 175.800 0.065 0.000 1.126 286 F CA -0.405 57.630 58.000 0.059 0.000 0.918 286 F CB 1.974 41.009 39.000 0.060 0.000 1.199 286 F HN 0.735 nan 8.300 nan 0.000 0.444 287 G N 0.768 109.709 108.800 0.236 0.000 2.466 287 G HA2 0.202 4.161 3.960 -0.001 0.000 0.279 287 G HA3 0.202 4.161 3.960 -0.001 0.000 0.279 287 G C 0.657 175.619 174.900 0.104 0.000 1.410 287 G CA 0.004 45.185 45.100 0.135 0.000 1.065 287 G HN 0.613 nan 8.290 nan 0.000 0.547 288 T N 0.045 114.633 114.554 0.057 0.000 3.015 288 T HA 0.115 4.464 4.350 -0.001 0.000 0.250 288 T C 1.536 176.235 174.700 -0.001 0.000 1.057 288 T CA 0.615 62.729 62.100 0.023 0.000 1.066 288 T CB -0.153 68.724 68.868 0.016 0.000 0.959 288 T HN 0.718 nan 8.240 nan 0.000 0.488 289 S N 1.970 117.668 115.700 -0.003 0.000 2.546 289 S HA 0.366 4.836 4.470 -0.001 0.000 0.290 289 S C 1.726 176.290 174.600 -0.060 0.000 1.262 289 S CA -0.026 58.157 58.200 -0.028 0.000 1.083 289 S CB 0.901 64.086 63.200 -0.024 0.000 0.859 289 S HN 0.348 nan 8.310 nan 0.000 0.495 290 A N 3.134 125.909 122.820 -0.075 0.000 1.940 290 A HA -0.280 4.040 4.320 -0.001 0.000 0.221 290 A C 2.212 179.711 177.584 -0.142 0.000 1.190 290 A CA 2.208 54.176 52.037 -0.115 0.000 0.647 290 A CB -1.221 17.712 19.000 -0.112 0.000 0.821 290 A HN 0.972 nan 8.150 nan 0.000 0.457 291 Q N -0.547 119.183 119.800 -0.117 0.000 2.325 291 Q HA -0.226 4.113 4.340 -0.001 0.000 0.211 291 Q C 1.672 177.587 176.000 -0.142 0.000 0.988 291 Q CA 2.274 58.005 55.803 -0.118 0.000 0.887 291 Q CB -0.205 28.483 28.738 -0.083 0.000 0.915 291 Q HN 0.703 nan 8.270 nan 0.000 0.440 292 E N -1.173 118.941 120.200 -0.144 0.000 2.099 292 E HA -0.039 4.311 4.350 -0.001 0.000 0.191 292 E C 1.755 178.164 176.600 -0.317 0.000 0.962 292 E CA 1.101 57.386 56.400 -0.192 0.000 0.826 292 E CB -0.115 29.536 29.700 -0.083 0.000 0.788 292 E HN 0.287 nan 8.360 nan 0.000 0.461 293 V N -0.081 119.671 119.914 -0.269 0.000 2.944 293 V HA -0.183 3.936 4.120 -0.001 0.000 0.265 293 V C 1.893 177.693 176.094 -0.490 0.000 1.125 293 V CA 1.674 63.756 62.300 -0.363 0.000 1.145 293 V CB -1.262 30.332 31.823 -0.382 0.000 0.725 293 V HN 0.257 nan 8.190 nan 0.000 0.510 294 V N -4.019 115.658 119.914 -0.395 0.000 3.565 294 V HA 0.289 4.409 4.120 -0.001 0.000 0.260 294 V C 2.265 178.166 176.094 -0.323 0.000 1.231 294 V CA 1.060 63.145 62.300 -0.358 0.000 1.100 294 V CB -0.317 31.346 31.823 -0.267 0.000 0.807 294 V HN 0.384 nan 8.190 nan 0.000 0.454 295 K N 0.939 121.118 120.400 -0.368 0.000 2.418 295 K HA -0.003 4.317 4.320 -0.001 0.000 0.195 295 K C 1.870 178.146 176.600 -0.540 0.000 1.035 295 K CA 1.248 57.322 56.287 -0.356 0.000 1.003 295 K CB 0.397 32.702 32.500 -0.325 0.000 0.793 295 K HN 0.758 nan 8.250 nan 0.000 0.494 296 E N 0.041 119.812 120.200 -0.714 0.000 2.099 296 E HA 0.031 4.380 4.350 -0.001 0.000 0.191 296 E C 1.901 178.341 176.600 -0.266 0.000 0.962 296 E CA 0.197 56.147 56.400 -0.750 0.000 0.826 296 E CB 0.156 29.352 29.700 -0.840 0.000 0.788 296 E HN 0.175 nan 8.360 nan 0.000 0.461 297 I N 0.666 121.013 120.570 -0.372 0.000 2.546 297 I HA -0.121 4.048 4.170 -0.001 0.000 0.255 297 I C 2.532 178.532 176.117 -0.195 0.000 1.163 297 I CA 0.578 61.682 61.300 -0.326 0.000 1.457 297 I CB -0.159 37.514 38.000 -0.544 0.000 1.092 297 I HN 0.018 nan 8.210 nan 0.000 0.434 298 R N -0.129 120.271 120.500 -0.167 0.000 2.316 298 R HA -0.103 4.237 4.340 -0.001 0.000 0.202 298 R C 1.936 178.241 176.300 0.007 0.000 1.029 298 R CA 0.821 56.863 56.100 -0.097 0.000 1.018 298 R CB 0.064 30.307 30.300 -0.095 0.000 0.888 298 R HN 0.280 nan 8.270 nan 0.000 0.471 299 F N 0.370 120.245 119.950 -0.125 0.000 2.222 299 F HA 0.093 4.620 4.527 -0.001 0.000 0.285 299 F C 2.025 177.824 175.800 -0.002 0.000 1.068 299 F CA 0.834 58.814 58.000 -0.034 0.000 1.265 299 F CB -0.121 38.889 39.000 0.017 0.000 1.087 299 F HN -0.277 nan 8.300 nan 0.000 0.511 300 R N 0.513 120.941 120.500 -0.119 0.000 2.117 300 R HA -0.170 4.169 4.340 -0.001 0.000 0.243 300 R C 2.245 178.449 176.300 -0.159 0.000 1.143 300 R CA 2.116 58.116 56.100 -0.167 0.000 0.968 300 R CB -0.642 29.647 30.300 -0.019 0.000 0.863 300 R HN 0.390 nan 8.270 nan 0.000 0.444 301 I N 0.221 120.716 120.570 -0.125 0.000 2.394 301 I HA -0.205 3.964 4.170 -0.001 0.000 0.251 301 I C 2.370 178.430 176.117 -0.095 0.000 1.136 301 I CA 1.082 62.324 61.300 -0.096 0.000 1.425 301 I CB -0.229 37.711 38.000 -0.100 0.000 1.079 301 I HN 0.255 nan 8.210 nan 0.000 0.425 302 E N 0.313 120.437 120.200 -0.125 0.000 2.482 302 E HA -0.152 4.198 4.350 -0.001 0.000 0.196 302 E C 1.836 178.347 176.600 -0.148 0.000 1.047 302 E CA 0.506 56.844 56.400 -0.103 0.000 0.869 302 E CB 0.375 30.040 29.700 -0.058 0.000 0.836 302 E HN 0.462 nan 8.360 nan 0.000 0.520 303 Q N 0.032 119.686 119.800 -0.243 0.000 2.274 303 Q HA -0.017 4.322 4.340 -0.001 0.000 0.198 303 Q C 1.643 177.581 176.000 -0.103 0.000 0.955 303 Q CA 0.698 56.368 55.803 -0.222 0.000 0.859 303 Q CB -0.323 28.179 28.738 -0.394 0.000 0.956 303 Q HN -0.071 nan 8.270 nan 0.000 0.516 304 K N 1.010 121.359 120.400 -0.085 0.000 2.665 304 K HA -0.031 4.288 4.320 -0.001 0.000 0.196 304 K C 0.950 177.544 176.600 -0.011 0.000 1.021 304 K CA 1.058 57.330 56.287 -0.025 0.000 1.066 304 K CB -0.286 32.212 32.500 -0.005 0.000 0.849 304 K HN 0.202 nan 8.250 nan 0.000 0.500 305 T N -3.599 110.941 114.554 -0.023 0.000 3.786 305 T HA -0.013 4.337 4.350 -0.001 0.000 0.312 305 T C -0.556 174.138 174.700 -0.010 0.000 0.902 305 T CA 0.637 62.735 62.100 -0.004 0.000 1.133 305 T CB 0.117 68.994 68.868 0.016 0.000 1.109 305 T HN 0.141 nan 8.240 nan 0.000 0.521 306 T N 1.300 115.839 114.554 -0.025 0.000 5.038 306 T HA -0.085 4.265 4.350 -0.001 0.000 0.284 306 T C -0.516 174.177 174.700 -0.012 0.000 1.738 306 T CA 0.608 62.695 62.100 -0.021 0.000 3.059 306 T CB -2.090 66.771 68.868 -0.011 0.000 1.411 306 T HN 0.472 nan 8.240 nan 0.000 1.036 307 L N 2.683 123.903 121.223 -0.005 0.000 2.298 307 L HA 0.429 4.768 4.340 -0.001 0.000 0.284 307 L C 1.157 178.027 176.870 -0.000 0.000 1.013 307 L CA -0.812 54.035 54.840 0.013 0.000 0.824 307 L CB 1.531 43.627 42.059 0.061 0.000 1.221 307 L HN 0.352 nan 8.230 nan 0.000 0.418 308 T N 0.897 115.440 114.554 -0.017 0.000 2.906 308 T HA 0.514 4.864 4.350 -0.001 0.000 0.320 308 T C 0.067 174.750 174.700 -0.028 0.000 1.088 308 T CA -0.587 61.493 62.100 -0.033 0.000 1.120 308 T CB 1.485 70.313 68.868 -0.067 0.000 1.000 308 T HN 0.692 nan 8.240 nan 0.000 0.550 309 A N 1.590 124.382 122.820 -0.046 0.000 2.572 309 A HA 0.741 5.060 4.320 -0.001 0.000 0.295 309 A C -0.292 177.250 177.584 -0.070 0.000 1.072 309 A CA -0.968 51.028 52.037 -0.069 0.000 0.691 309 A CB 1.767 20.704 19.000 -0.105 0.000 1.291 309 A HN 0.844 nan 8.150 nan 0.000 0.404 310 S N -0.794 114.861 115.700 -0.076 0.000 2.715 310 S HA 1.002 5.471 4.470 -0.001 0.000 0.307 310 S C -0.244 174.303 174.600 -0.088 0.000 1.119 310 S CA 0.004 58.171 58.200 -0.055 0.000 0.937 310 S CB 1.860 65.058 63.200 -0.004 0.000 1.150 310 S HN 2.243 nan 8.310 nan 0.000 0.521 311 A N -0.160 122.629 122.820 -0.052 0.000 2.567 311 A HA 0.774 5.093 4.320 -0.001 0.000 0.291 311 A C -0.747 176.831 177.584 -0.010 0.000 1.048 311 A CA -0.302 51.703 52.037 -0.054 0.000 0.661 311 A CB 0.659 19.580 19.000 -0.132 0.000 1.288 311 A HN 1.194 nan 8.150 nan 0.000 0.424 312 G N -0.505 108.301 108.800 0.009 0.000 2.563 312 G HA2 0.672 4.631 3.960 -0.001 0.000 0.302 312 G HA3 0.672 4.631 3.960 -0.001 0.000 0.302 312 G C -1.601 173.251 174.900 -0.081 0.000 1.301 312 G CA -0.551 44.532 45.100 -0.029 0.000 0.965 312 G HN 0.644 nan 8.290 nan 0.000 0.480 313 I N 1.053 121.524 120.570 -0.166 0.000 2.389 313 I HA 0.735 4.905 4.170 -0.001 0.000 0.288 313 I C 0.350 176.333 176.117 -0.224 0.000 0.999 313 I CA -0.537 60.659 61.300 -0.174 0.000 1.129 313 I CB 1.744 39.633 38.000 -0.184 0.000 1.288 313 I HN 0.757 nan 8.210 nan 0.000 0.444 314 A N 6.389 129.108 122.820 -0.167 0.000 2.604 314 A HA 0.790 5.109 4.320 -0.001 0.000 0.295 314 A C -2.582 174.926 177.584 -0.126 0.000 1.067 314 A CA -1.227 50.704 52.037 -0.175 0.000 0.683 314 A CB 1.268 20.163 19.000 -0.175 0.000 1.281 314 A HN 0.459 nan 8.150 nan 0.000 0.407 315 P HA 0.032 nan 4.420 nan 0.000 0.251 315 P C -0.469 176.777 177.300 -0.090 0.000 1.251 315 P CA 0.928 63.972 63.100 -0.093 0.000 0.763 315 P CB -0.244 31.407 31.700 -0.082 0.000 1.067 316 N N -3.889 114.751 118.700 -0.100 0.000 3.185 316 N HA 0.030 4.769 4.740 -0.001 0.000 0.238 316 N C 0.516 175.940 175.510 -0.143 0.000 1.451 316 N CA -0.397 52.584 53.050 -0.115 0.000 0.888 316 N CB 0.430 38.856 38.487 -0.102 0.000 1.413 316 N HN -0.238 nan 8.380 nan 0.000 0.511 317 T N -2.353 112.063 114.554 -0.229 0.000 2.737 317 T HA -0.150 4.199 4.350 -0.001 0.000 0.265 317 T C 1.863 176.451 174.700 -0.187 0.000 1.038 317 T CA 1.175 63.041 62.100 -0.391 0.000 1.144 317 T CB -0.200 68.220 68.868 -0.747 0.000 0.866 317 T HN 0.507 nan 8.240 nan 0.000 0.434 318 M N 1.535 121.062 119.600 -0.123 0.000 2.115 318 M HA -0.060 4.419 4.480 -0.001 0.000 0.258 318 M C 2.303 178.603 176.300 -0.001 0.000 1.071 318 M CA 1.741 57.020 55.300 -0.034 0.000 1.100 318 M CB -1.116 31.467 32.600 -0.029 0.000 1.292 318 M HN 0.354 nan 8.290 nan 0.000 0.415 319 L N 0.185 121.407 121.223 -0.001 0.000 1.989 319 L HA -0.237 4.102 4.340 -0.001 0.000 0.211 319 L C 2.754 179.635 176.870 0.018 0.000 1.071 319 L CA 1.572 56.443 54.840 0.052 0.000 0.749 319 L CB -1.095 40.971 42.059 0.011 0.000 0.890 319 L HN 0.479 nan 8.230 nan 0.000 0.431 320 A N 0.564 123.366 122.820 -0.030 0.000 1.870 320 A HA -0.381 3.939 4.320 -0.001 0.000 0.219 320 A C 2.239 179.833 177.584 0.017 0.000 1.224 320 A CA 2.664 54.696 52.037 -0.009 0.000 0.650 320 A CB -0.818 18.212 19.000 0.050 0.000 0.836 320 A HN 0.373 nan 8.150 nan 0.000 0.454 321 K N -0.658 119.714 120.400 -0.046 0.000 2.189 321 K HA -0.173 4.146 4.320 -0.001 0.000 0.207 321 K C 1.533 178.072 176.600 -0.102 0.000 1.046 321 K CA 2.105 58.182 56.287 -0.350 0.000 0.928 321 K CB -0.522 31.782 32.500 -0.327 0.000 0.720 321 K HN 0.267 nan 8.250 nan 0.000 0.458 322 V N -0.221 119.710 119.914 0.028 0.000 2.488 322 V HA -0.242 3.877 4.120 -0.001 0.000 0.246 322 V C 2.361 178.577 176.094 0.204 0.000 1.046 322 V CA 1.631 64.010 62.300 0.133 0.000 1.053 322 V CB -0.425 31.534 31.823 0.227 0.000 0.679 322 V HN 0.515 nan 8.190 nan 0.000 0.458 323 C N 0.778 120.168 119.300 0.150 0.000 2.446 323 C HA -0.111 4.349 4.460 -0.001 0.000 0.277 323 C C 3.262 178.343 174.990 0.151 0.000 1.275 323 C CA 0.983 60.090 59.018 0.148 0.000 1.727 323 C CB -1.155 26.538 27.740 -0.077 0.000 2.010 323 C HN 0.744 nan 8.230 nan 0.000 0.486 324 S N 2.093 117.868 115.700 0.126 0.000 2.400 324 S HA -0.274 4.195 4.470 -0.001 0.000 0.234 324 S C 0.805 175.471 174.600 0.110 0.000 1.049 324 S CA 2.449 60.730 58.200 0.135 0.000 1.039 324 S CB -0.672 62.697 63.200 0.283 0.000 0.856 324 S HN 0.631 nan 8.310 nan 0.000 0.465 325 D N 0.522 120.990 120.400 0.113 0.000 2.342 325 D HA 0.248 4.888 4.640 -0.001 0.000 0.221 325 D C 1.472 177.825 176.300 0.087 0.000 1.101 325 D CA 0.189 54.242 54.000 0.088 0.000 0.837 325 D CB 0.170 41.012 40.800 0.070 0.000 0.938 325 D HN 0.416 nan 8.370 nan 0.000 0.508 326 K N 0.919 121.389 120.400 0.117 0.000 1.991 326 K HA 0.051 4.370 4.320 -0.001 0.000 0.207 326 K C 0.487 177.100 176.600 0.021 0.000 1.045 326 K CA 1.211 57.553 56.287 0.091 0.000 0.937 326 K CB 0.078 32.663 32.500 0.142 0.000 0.720 326 K HN -0.069 nan 8.250 nan 0.000 0.438 327 N N 1.076 119.792 118.700 0.027 0.000 2.635 327 N HA 0.019 4.759 4.740 -0.001 0.000 0.307 327 N C -0.051 175.485 175.510 0.044 0.000 1.433 327 N CA -0.047 53.010 53.050 0.012 0.000 0.973 327 N CB 0.966 39.450 38.487 -0.006 0.000 1.304 327 N HN 0.076 nan 8.380 nan 0.000 0.507 328 K N 1.730 122.167 120.400 0.062 0.000 2.442 328 K HA 0.031 4.350 4.320 -0.001 0.000 0.198 328 K C -0.889 175.808 176.600 0.162 0.000 1.042 328 K CA 0.360 56.701 56.287 0.090 0.000 0.958 328 K CB -0.505 32.043 32.500 0.080 0.000 0.766 328 K HN 0.216 nan 8.250 nan 0.000 0.474 329 P HA -0.135 nan 4.420 nan 0.000 0.234 329 P C -0.962 176.417 177.300 0.131 0.000 1.162 329 P CA 0.994 64.282 63.100 0.314 0.000 0.759 329 P CB -0.279 31.563 31.700 0.237 0.000 0.813 330 N N -1.680 117.065 118.700 0.075 0.000 5.634 330 N HA -0.031 4.709 4.740 -0.001 0.000 0.308 330 N C -0.720 174.792 175.510 0.003 0.000 0.724 330 N CA 0.440 53.494 53.050 0.007 0.000 0.889 330 N CB -1.043 37.412 38.487 -0.053 0.000 1.916 330 N HN 0.193 nan 8.380 nan 0.000 0.751 331 G N 0.780 109.586 108.800 0.011 0.000 2.896 331 G HA2 0.722 4.681 3.960 -0.001 0.000 0.247 331 G HA3 0.722 4.681 3.960 -0.001 0.000 0.247 331 G C -1.510 173.391 174.900 0.001 0.000 1.187 331 G CA -0.021 45.080 45.100 0.002 0.000 0.837 331 G HN 0.576 nan 8.290 nan 0.000 0.559 332 Q N -2.105 117.704 119.800 0.016 0.000 2.687 332 Q HA 0.627 4.966 4.340 -0.001 0.000 0.295 332 Q C -2.331 173.742 176.000 0.122 0.000 0.920 332 Q CA -1.029 54.795 55.803 0.034 0.000 0.766 332 Q CB 2.468 31.195 28.738 -0.019 0.000 1.467 332 Q HN 0.723 nan 8.270 nan 0.000 0.415 333 Y N 0.313 120.566 120.300 -0.078 0.000 2.519 333 Y HA 0.430 4.979 4.550 -0.001 0.000 0.336 333 Y C -1.665 174.146 175.900 -0.148 0.000 1.089 333 Y CA -0.566 57.472 58.100 -0.102 0.000 1.025 333 Y CB 2.408 40.810 38.460 -0.096 0.000 1.318 333 Y HN 0.895 nan 8.280 nan 0.000 0.452 334 Q N 4.360 123.865 119.800 -0.492 0.000 2.378 334 Q HA 0.819 5.158 4.340 -0.001 0.000 0.276 334 Q C -1.735 173.765 176.000 -0.833 0.000 1.083 334 Q CA -1.011 54.465 55.803 -0.545 0.000 0.856 334 Q CB 2.200 30.777 28.738 -0.268 0.000 1.383 334 Q HN 0.760 nan 8.270 nan 0.000 0.458 335 I N 3.278 123.525 120.570 -0.539 0.000 2.590 335 I HA 0.205 4.374 4.170 -0.001 0.000 0.283 335 I C -0.477 175.484 176.117 -0.260 0.000 1.154 335 I CA -0.493 60.535 61.300 -0.453 0.000 1.067 335 I CB 1.433 39.116 38.000 -0.528 0.000 1.243 335 I HN 0.534 nan 8.210 nan 0.000 0.451 336 L N 5.829 126.941 121.223 -0.185 0.000 2.479 336 L HA 0.190 4.529 4.340 -0.001 0.000 0.270 336 L C -1.320 175.488 176.870 -0.104 0.000 1.236 336 L CA -1.262 53.504 54.840 -0.124 0.000 0.823 336 L CB -0.156 41.850 42.059 -0.088 0.000 1.098 336 L HN 0.323 nan 8.230 nan 0.000 0.500 337 P HA -0.099 nan 4.420 nan 0.000 0.228 337 P C -0.177 177.092 177.300 -0.052 0.000 1.151 337 P CA 0.667 63.727 63.100 -0.066 0.000 0.770 337 P CB -0.152 31.514 31.700 -0.056 0.000 0.786 338 N N 0.473 119.144 118.700 -0.048 0.000 2.483 338 N HA -0.044 4.695 4.740 -0.001 0.000 0.264 338 N C 1.143 176.631 175.510 -0.036 0.000 1.197 338 N CA -0.166 52.862 53.050 -0.036 0.000 0.927 338 N CB 1.257 39.726 38.487 -0.030 0.000 1.065 338 N HN -0.045 nan 8.380 nan 0.000 0.461 339 R N 1.827 122.308 120.500 -0.031 0.000 2.223 339 R HA -0.278 4.061 4.340 -0.001 0.000 0.229 339 R C 1.382 177.664 176.300 -0.030 0.000 1.105 339 R CA 1.941 58.022 56.100 -0.032 0.000 0.880 339 R CB -0.712 29.571 30.300 -0.029 0.000 0.853 339 R HN 0.714 nan 8.270 nan 0.000 0.429 340 Q N -0.262 119.523 119.800 -0.026 0.000 2.366 340 Q HA -0.191 4.148 4.340 -0.001 0.000 0.214 340 Q C 1.745 177.739 176.000 -0.010 0.000 0.994 340 Q CA 1.923 57.713 55.803 -0.021 0.000 0.909 340 Q CB -0.256 28.471 28.738 -0.017 0.000 0.918 340 Q HN 0.567 nan 8.270 nan 0.000 0.436 341 A N -0.991 121.821 122.820 -0.013 0.000 2.016 341 A HA -0.027 4.292 4.320 -0.001 0.000 0.217 341 A C 2.229 179.824 177.584 0.019 0.000 1.162 341 A CA 0.896 52.930 52.037 -0.004 0.000 0.662 341 A CB 0.002 18.982 19.000 -0.034 0.000 0.812 341 A HN 0.213 nan 8.150 nan 0.000 0.450 342 V N -0.521 119.396 119.914 0.005 0.000 2.379 342 V HA -0.133 3.987 4.120 -0.001 0.000 0.243 342 V C 2.204 178.326 176.094 0.047 0.000 1.035 342 V CA 1.340 63.662 62.300 0.037 0.000 1.035 342 V CB -0.577 31.243 31.823 -0.004 0.000 0.673 342 V HN 0.439 nan 8.190 nan 0.000 0.457 343 M N 0.021 119.617 119.600 -0.007 0.000 2.700 343 M HA -0.047 4.433 4.480 -0.001 0.000 0.249 343 M C 1.196 177.482 176.300 -0.024 0.000 1.082 343 M CA 1.003 56.276 55.300 -0.044 0.000 1.077 343 M CB -1.226 31.329 32.600 -0.076 0.000 1.477 343 M HN 0.388 nan 8.290 nan 0.000 0.529 344 D N -1.672 118.746 120.400 0.030 0.000 2.463 344 D HA 0.031 4.670 4.640 -0.001 0.000 0.237 344 D C 1.475 177.826 176.300 0.086 0.000 1.013 344 D CA 0.353 54.379 54.000 0.045 0.000 0.910 344 D CB 0.194 41.030 40.800 0.060 0.000 1.080 344 D HN 0.309 nan 8.370 nan 0.000 0.498 345 F N 1.464 121.409 119.950 -0.007 0.000 2.367 345 F HA 0.014 4.540 4.527 -0.001 0.000 0.298 345 F C 1.883 177.684 175.800 0.002 0.000 1.094 345 F CA 0.461 58.475 58.000 0.023 0.000 1.409 345 F CB 0.073 39.086 39.000 0.021 0.000 1.064 345 F HN -0.183 nan 8.300 nan 0.000 0.528 346 I N 0.818 121.329 120.570 -0.098 0.000 2.406 346 I HA -0.057 4.112 4.170 -0.001 0.000 0.249 346 I C 1.226 177.231 176.117 -0.188 0.000 1.122 346 I CA 0.651 61.840 61.300 -0.185 0.000 1.431 346 I CB -0.768 37.189 38.000 -0.071 0.000 1.087 346 I HN -0.093 nan 8.210 nan 0.000 0.424 347 K N 1.306 121.628 120.400 -0.129 0.000 2.448 347 K HA -0.093 4.226 4.320 -0.001 0.000 0.278 347 K C -0.203 176.326 176.600 -0.118 0.000 1.009 347 K CA 0.819 57.042 56.287 -0.107 0.000 0.995 347 K CB 0.273 32.728 32.500 -0.075 0.000 0.917 347 K HN 0.345 nan 8.250 nan 0.000 0.481 348 D N 0.914 121.254 120.400 -0.100 0.000 3.006 348 D HA -0.213 4.426 4.640 -0.001 0.000 0.205 348 D C -0.262 175.961 176.300 -0.129 0.000 1.075 348 D CA 0.854 54.796 54.000 -0.096 0.000 1.000 348 D CB -1.171 39.582 40.800 -0.079 0.000 1.097 348 D HN 0.561 nan 8.370 nan 0.000 0.426 349 L N 0.914 122.032 121.223 -0.175 0.000 2.278 349 L HA 0.346 4.686 4.340 -0.001 0.000 0.287 349 L C -2.037 174.752 176.870 -0.135 0.000 1.072 349 L CA -1.435 53.279 54.840 -0.210 0.000 0.819 349 L CB 0.811 42.679 42.059 -0.318 0.000 1.176 349 L HN -0.315 nan 8.230 nan 0.000 0.435 350 P HA -0.089 nan 4.420 nan 0.000 0.258 350 P C 0.714 177.974 177.300 -0.066 0.000 1.187 350 P CA 0.195 63.252 63.100 -0.071 0.000 0.767 350 P CB 0.564 32.231 31.700 -0.056 0.000 0.770 351 I N 4.345 124.877 120.570 -0.063 0.000 2.300 351 I HA -0.265 3.904 4.170 -0.001 0.000 0.252 351 I C 2.025 178.122 176.117 -0.034 0.000 1.119 351 I CA 1.703 62.967 61.300 -0.061 0.000 1.384 351 I CB -0.197 37.757 38.000 -0.077 0.000 1.062 351 I HN 0.309 nan 8.210 nan 0.000 0.426 352 R N 0.902 121.389 120.500 -0.022 0.000 2.153 352 R HA -0.028 4.312 4.340 -0.001 0.000 0.218 352 R C 1.304 177.608 176.300 0.008 0.000 1.072 352 R CA 0.631 56.731 56.100 0.001 0.000 0.990 352 R CB -0.175 30.126 30.300 0.000 0.000 0.889 352 R HN 0.347 nan 8.270 nan 0.000 0.452 353 K N 1.555 121.951 120.400 -0.006 0.000 3.077 353 K HA 0.033 4.352 4.320 -0.001 0.000 0.269 353 K C -0.274 176.334 176.600 0.014 0.000 0.973 353 K CA 0.061 56.349 56.287 0.001 0.000 1.162 353 K CB -0.218 32.274 32.500 -0.013 0.000 1.079 353 K HN 0.041 nan 8.250 nan 0.000 0.456 354 V N -3.076 116.854 119.914 0.028 0.000 3.049 354 V HA 0.363 4.483 4.120 -0.001 0.000 0.309 354 V C 0.027 176.167 176.094 0.077 0.000 1.148 354 V CA -1.399 60.929 62.300 0.046 0.000 0.990 354 V CB 1.688 33.533 31.823 0.036 0.000 1.039 354 V HN 0.188 nan 8.190 nan 0.000 0.430 355 S N 1.127 116.879 115.700 0.087 0.000 2.572 355 S HA 0.566 5.035 4.470 -0.001 0.000 0.279 355 S C 1.328 176.039 174.600 0.186 0.000 1.341 355 S CA 0.596 58.859 58.200 0.106 0.000 1.043 355 S CB 0.576 63.834 63.200 0.097 0.000 0.887 355 S HN 2.881 nan 8.310 nan 0.000 0.516 356 G N 1.171 110.064 108.800 0.154 0.000 2.253 356 G HA2 -0.200 3.759 3.960 -0.001 0.000 0.251 356 G HA3 -0.200 3.759 3.960 -0.001 0.000 0.251 356 G C -0.041 174.996 174.900 0.227 0.000 0.998 356 G CA 0.214 45.423 45.100 0.182 0.000 0.621 356 G HN 0.724 nan 8.290 nan 0.000 0.524 357 I N 2.061 122.754 120.570 0.206 0.000 2.411 357 I HA 0.663 4.832 4.170 -0.001 0.000 0.284 357 I C 0.829 177.000 176.117 0.091 0.000 1.012 357 I CA -0.200 61.199 61.300 0.166 0.000 1.119 357 I CB 0.524 38.613 38.000 0.149 0.000 1.261 357 I HN 0.281 nan 8.210 nan 0.000 0.448 358 G N 4.423 113.266 108.800 0.073 0.000 3.176 358 G HA2 0.369 4.329 3.960 -0.001 0.000 0.272 358 G HA3 0.369 4.329 3.960 -0.001 0.000 0.272 358 G C 0.697 175.620 174.900 0.039 0.000 1.349 358 G CA -0.380 44.750 45.100 0.049 0.000 0.953 358 G HN 0.496 nan 8.290 nan 0.000 0.559 359 K N -1.138 119.282 120.400 0.032 0.000 2.056 359 K HA -0.244 4.076 4.320 -0.001 0.000 0.225 359 K C 2.292 178.908 176.600 0.027 0.000 1.053 359 K CA 2.758 59.061 56.287 0.027 0.000 0.966 359 K CB -0.597 31.920 32.500 0.027 0.000 0.735 359 K HN 0.156 nan 8.250 nan 0.000 0.455 360 V N 0.291 120.223 119.914 0.030 0.000 2.323 360 V HA -0.208 3.911 4.120 -0.001 0.000 0.244 360 V C 2.289 178.407 176.094 0.040 0.000 1.041 360 V CA 2.288 64.607 62.300 0.032 0.000 1.025 360 V CB -0.513 31.328 31.823 0.030 0.000 0.656 360 V HN 0.559 nan 8.190 nan 0.000 0.451 361 T N -0.360 114.220 114.554 0.044 0.000 2.624 361 T HA -0.309 4.040 4.350 -0.001 0.000 0.268 361 T C 1.773 176.493 174.700 0.033 0.000 1.041 361 T CA 2.198 64.328 62.100 0.050 0.000 1.159 361 T CB -0.256 68.663 68.868 0.085 0.000 0.863 361 T HN 0.660 nan 8.240 nan 0.000 0.434 362 E N 0.829 121.043 120.200 0.024 0.000 2.007 362 E HA -0.251 4.098 4.350 -0.001 0.000 0.203 362 E C 2.363 178.974 176.600 0.017 0.000 1.020 362 E CA 1.322 57.727 56.400 0.009 0.000 0.845 362 E CB -0.165 29.540 29.700 0.009 0.000 0.779 362 E HN 0.102 nan 8.360 nan 0.000 0.466 363 K N 0.238 120.651 120.400 0.022 0.000 2.173 363 K HA -0.202 4.117 4.320 -0.001 0.000 0.207 363 K C 2.123 178.747 176.600 0.040 0.000 1.046 363 K CA 1.567 57.868 56.287 0.024 0.000 0.929 363 K CB -0.294 32.218 32.500 0.021 0.000 0.720 363 K HN 0.352 nan 8.250 nan 0.000 0.453 364 M N -0.163 119.473 119.600 0.060 0.000 2.200 364 M HA -0.125 4.354 4.480 -0.001 0.000 0.265 364 M C 2.042 178.413 176.300 0.119 0.000 1.066 364 M CA 1.123 56.485 55.300 0.104 0.000 1.127 364 M CB 0.056 32.743 32.600 0.146 0.000 1.379 364 M HN 0.088 nan 8.290 nan 0.000 0.420 365 L N -0.621 120.651 121.223 0.081 0.000 2.270 365 L HA -0.149 4.190 4.340 -0.001 0.000 0.210 365 L C 2.390 179.274 176.870 0.023 0.000 1.104 365 L CA 0.703 55.577 54.840 0.057 0.000 0.804 365 L CB -0.480 41.565 42.059 -0.024 0.000 0.937 365 L HN 0.265 nan 8.230 nan 0.000 0.450 366 K N 0.902 121.311 120.400 0.014 0.000 2.113 366 K HA -0.237 4.082 4.320 -0.001 0.000 0.208 366 K C 2.040 178.644 176.600 0.008 0.000 1.047 366 K CA 1.476 57.766 56.287 0.004 0.000 0.928 366 K CB -0.060 32.442 32.500 0.004 0.000 0.716 366 K HN 0.289 nan 8.250 nan 0.000 0.446 367 A N 1.099 123.931 122.820 0.020 0.000 1.972 367 A HA -0.106 4.213 4.320 -0.001 0.000 0.219 367 A C 1.932 179.521 177.584 0.008 0.000 1.169 367 A CA 1.153 53.200 52.037 0.016 0.000 0.635 367 A CB -0.381 18.635 19.000 0.027 0.000 0.810 367 A HN 0.356 nan 8.150 nan 0.000 0.446 368 L N -1.260 119.970 121.223 0.013 0.000 2.599 368 L HA 0.165 4.505 4.340 -0.001 0.000 0.230 368 L C 1.622 178.486 176.870 -0.009 0.000 1.141 368 L CA 0.511 55.351 54.840 -0.001 0.000 0.877 368 L CB -0.186 41.876 42.059 0.005 0.000 1.009 368 L HN 0.602 nan 8.230 nan 0.000 0.447 369 G N 0.775 109.571 108.800 -0.008 0.000 2.143 369 G HA2 -0.271 3.689 3.960 -0.001 0.000 0.249 369 G HA3 -0.271 3.689 3.960 -0.001 0.000 0.249 369 G C 0.204 175.094 174.900 -0.017 0.000 0.981 369 G CA -0.276 44.817 45.100 -0.012 0.000 0.665 369 G HN 0.296 nan 8.290 nan 0.000 0.528 370 I N 1.158 121.716 120.570 -0.020 0.000 2.297 370 I HA 0.333 4.502 4.170 -0.001 0.000 0.291 370 I C 1.005 177.100 176.117 -0.038 0.000 1.033 370 I CA -0.802 60.479 61.300 -0.033 0.000 1.253 370 I CB 0.813 38.784 38.000 -0.048 0.000 1.396 370 I HN -0.085 nan 8.210 nan 0.000 0.476 371 I N 3.112 123.660 120.570 -0.037 0.000 3.812 371 I HA 0.040 4.209 4.170 -0.001 0.000 0.292 371 I C 1.266 177.355 176.117 -0.047 0.000 1.206 371 I CA 0.916 62.193 61.300 -0.038 0.000 1.370 371 I CB 0.342 38.324 38.000 -0.030 0.000 1.328 371 I HN 0.515 nan 8.210 nan 0.000 0.453 372 T N -1.754 112.772 114.554 -0.046 0.000 2.945 372 T HA 0.224 4.574 4.350 -0.001 0.000 0.286 372 T C 1.345 176.013 174.700 -0.054 0.000 1.025 372 T CA -0.402 61.665 62.100 -0.056 0.000 1.039 372 T CB 2.033 70.869 68.868 -0.054 0.000 1.068 372 T HN 0.184 nan 8.240 nan 0.000 0.497 373 C N 1.785 121.045 119.300 -0.066 0.000 2.413 373 C HA -0.058 4.401 4.460 -0.001 0.000 0.276 373 C C 2.966 177.948 174.990 -0.012 0.000 1.236 373 C CA 1.597 60.584 59.018 -0.052 0.000 1.735 373 C CB -1.523 26.171 27.740 -0.077 0.000 2.031 373 C HN 1.059 nan 8.230 nan 0.000 0.474 374 T N 0.447 114.985 114.554 -0.026 0.000 2.822 374 T HA -0.211 4.138 4.350 -0.001 0.000 0.270 374 T C 1.354 176.093 174.700 0.064 0.000 1.064 374 T CA 1.611 63.715 62.100 0.007 0.000 1.131 374 T CB -0.398 68.457 68.868 -0.022 0.000 0.858 374 T HN 0.692 nan 8.240 nan 0.000 0.483 375 E N 0.731 120.946 120.200 0.026 0.000 2.051 375 E HA 0.081 4.431 4.350 -0.001 0.000 0.189 375 E C 2.004 178.621 176.600 0.028 0.000 0.979 375 E CA 0.455 56.868 56.400 0.021 0.000 0.803 375 E CB -0.266 29.429 29.700 -0.008 0.000 0.761 375 E HN 0.288 nan 8.360 nan 0.000 0.451 376 L N 0.587 121.820 121.223 0.016 0.000 2.450 376 L HA -0.167 4.172 4.340 -0.001 0.000 0.224 376 L C 1.916 178.836 176.870 0.083 0.000 1.149 376 L CA 1.227 56.070 54.840 0.004 0.000 0.816 376 L CB -0.209 41.821 42.059 -0.048 0.000 0.932 376 L HN 0.130 nan 8.230 nan 0.000 0.449 377 Y N 0.239 120.523 120.300 -0.027 0.000 2.230 377 Y HA -0.113 4.437 4.550 -0.001 0.000 0.294 377 Y C 2.435 178.327 175.900 -0.013 0.000 1.120 377 Y CA 1.533 59.625 58.100 -0.013 0.000 1.129 377 Y CB -0.342 38.106 38.460 -0.020 0.000 1.040 377 Y HN 0.475 nan 8.280 nan 0.000 0.519 378 Q N -0.478 119.326 119.800 0.008 0.000 2.500 378 Q HA -0.106 4.233 4.340 -0.001 0.000 0.213 378 Q C 0.918 176.851 176.000 -0.112 0.000 0.974 378 Q CA 0.994 56.734 55.803 -0.105 0.000 0.918 378 Q CB -0.174 28.568 28.738 0.007 0.000 0.980 378 Q HN 0.434 nan 8.270 nan 0.000 0.505 379 Q N 1.031 120.786 119.800 -0.075 0.000 2.211 379 Q HA 0.104 4.443 4.340 -0.001 0.000 0.231 379 Q C 1.043 177.001 176.000 -0.070 0.000 0.865 379 Q CA -0.063 55.701 55.803 -0.064 0.000 0.997 379 Q CB 0.596 29.314 28.738 -0.033 0.000 1.101 379 Q HN 0.565 nan 8.270 nan 0.000 0.468 380 R N -0.367 120.058 120.500 -0.126 0.000 2.070 380 R HA -0.052 4.288 4.340 -0.001 0.000 0.233 380 R C 2.047 178.247 176.300 -0.165 0.000 1.137 380 R CA 1.284 57.315 56.100 -0.114 0.000 0.945 380 R CB -0.790 29.395 30.300 -0.191 0.000 0.845 380 R HN 0.065 nan 8.270 nan 0.000 0.430 381 A N 2.730 125.439 122.820 -0.186 0.000 1.862 381 A HA -0.238 4.081 4.320 -0.001 0.000 0.217 381 A C 2.280 179.740 177.584 -0.208 0.000 1.251 381 A CA 1.872 53.789 52.037 -0.201 0.000 0.673 381 A CB -1.136 17.773 19.000 -0.151 0.000 0.843 381 A HN 0.405 nan 8.150 nan 0.000 0.458 382 L N -0.447 120.685 121.223 -0.151 0.000 1.991 382 L HA -0.267 4.072 4.340 -0.001 0.000 0.221 382 L C 2.666 179.437 176.870 -0.166 0.000 1.079 382 L CA 2.482 57.235 54.840 -0.145 0.000 0.778 382 L CB -0.701 41.292 42.059 -0.111 0.000 0.893 382 L HN 0.567 nan 8.230 nan 0.000 0.437 383 L N -0.042 121.123 121.223 -0.097 0.000 2.089 383 L HA -0.283 4.056 4.340 -0.001 0.000 0.213 383 L C 2.703 179.536 176.870 -0.062 0.000 1.079 383 L CA 1.858 56.716 54.840 0.030 0.000 0.758 383 L CB -0.710 41.526 42.059 0.295 0.000 0.891 383 L HN 0.500 nan 8.230 nan 0.000 0.433 384 S N -0.734 114.716 115.700 -0.416 0.000 2.547 384 S HA -0.038 4.432 4.470 -0.001 0.000 0.235 384 S C 1.485 175.790 174.600 -0.491 0.000 0.980 384 S CA 0.590 58.138 58.200 -1.086 0.000 0.941 384 S CB -0.237 61.997 63.200 -1.610 0.000 0.763 384 S HN 0.483 nan 8.310 nan 0.000 0.532 385 L N -0.334 120.728 121.223 -0.269 0.000 2.858 385 L HA 0.440 4.779 4.340 -0.001 0.000 0.251 385 L C 1.195 177.983 176.870 -0.136 0.000 1.149 385 L CA 0.110 54.857 54.840 -0.156 0.000 0.955 385 L CB 0.019 41.989 42.059 -0.149 0.000 1.289 385 L HN 0.286 nan 8.230 nan 0.000 0.542 386 L N -1.289 119.810 121.223 -0.206 0.000 2.749 386 L HA 0.314 4.654 4.340 -0.001 0.000 0.242 386 L C -0.338 176.299 176.870 -0.388 0.000 1.103 386 L CA 0.196 54.812 54.840 -0.374 0.000 0.906 386 L CB 0.714 42.388 42.059 -0.642 0.000 1.228 386 L HN -0.005 nan 8.230 nan 0.000 0.517 387 F N -0.553 119.500 119.950 0.171 0.000 2.577 387 F HA 0.398 4.924 4.527 -0.001 0.000 0.318 387 F C 0.843 176.790 175.800 0.245 0.000 1.065 387 F CA -1.508 56.614 58.000 0.204 0.000 0.929 387 F CB 1.510 40.662 39.000 0.252 0.000 1.237 387 F HN -0.289 nan 8.300 nan 0.000 0.468 388 S N 0.782 116.699 115.700 0.362 0.000 2.525 388 S HA -0.133 4.337 4.470 -0.001 0.000 0.282 388 S C 1.506 176.195 174.600 0.149 0.000 1.324 388 S CA 0.525 58.833 58.200 0.180 0.000 1.025 388 S CB 0.345 63.576 63.200 0.052 0.000 0.820 388 S HN 0.850 nan 8.310 nan 0.000 0.514 389 E N 1.451 121.648 120.200 -0.003 0.000 2.085 389 E HA -0.145 4.205 4.350 -0.001 0.000 0.194 389 E C 1.687 177.958 176.600 -0.549 0.000 0.994 389 E CA 1.938 58.166 56.400 -0.287 0.000 0.801 389 E CB -0.514 29.002 29.700 -0.307 0.000 0.743 389 E HN 0.847 nan 8.360 nan 0.000 0.453 390 T N -0.172 114.184 114.554 -0.331 0.000 2.951 390 T HA -0.042 4.307 4.350 -0.001 0.000 0.268 390 T C 1.947 176.497 174.700 -0.251 0.000 1.073 390 T CA 0.920 62.849 62.100 -0.285 0.000 1.134 390 T CB -0.053 68.689 68.868 -0.209 0.000 0.884 390 T HN 0.081 nan 8.240 nan 0.000 0.479 391 S N 1.373 116.921 115.700 -0.253 0.000 2.338 391 S HA -0.069 4.400 4.470 -0.001 0.000 0.218 391 S C 1.930 176.184 174.600 -0.577 0.000 1.032 391 S CA 1.181 59.114 58.200 -0.446 0.000 0.999 391 S CB -0.459 62.540 63.200 -0.336 0.000 0.905 391 S HN 0.856 nan 8.310 nan 0.000 0.439 392 W N 1.388 122.575 121.300 -0.188 0.000 2.519 392 W HA 0.058 4.717 4.660 -0.001 0.000 0.266 392 W C 1.416 178.031 176.519 0.160 0.000 1.253 392 W CA 0.687 58.070 57.345 0.063 0.000 1.274 392 W CB -0.960 28.664 29.460 0.272 0.000 1.114 392 W HN 0.371 nan 8.180 nan 0.000 0.596 393 H N -0.487 118.300 119.070 -0.473 0.000 2.457 393 H HA -0.132 4.424 4.556 -0.001 0.000 0.294 393 H C 1.789 177.024 175.328 -0.155 0.000 1.064 393 H CA 2.251 58.027 56.048 -0.454 0.000 1.330 393 H CB -0.675 28.755 29.762 -0.554 0.000 1.395 393 H HN 0.229 nan 8.280 nan 0.000 0.541 394 Y N -0.394 119.875 120.300 -0.052 0.000 2.231 394 Y HA -0.077 4.472 4.550 -0.001 0.000 0.294 394 Y C 1.811 177.871 175.900 0.267 0.000 1.120 394 Y CA 1.062 59.215 58.100 0.088 0.000 1.141 394 Y CB -0.656 37.774 38.460 -0.051 0.000 1.022 394 Y HN 0.149 nan 8.280 nan 0.000 0.523 395 F N -0.633 119.421 119.950 0.173 0.000 2.069 395 F HA -0.289 4.237 4.527 -0.001 0.000 0.298 395 F C 2.295 178.141 175.800 0.078 0.000 1.113 395 F CA 0.836 58.892 58.000 0.092 0.000 1.214 395 F CB -0.578 38.567 39.000 0.242 0.000 0.978 395 F HN 0.198 nan 8.300 nan 0.000 0.474 396 L N -0.006 121.430 121.223 0.355 0.000 2.265 396 L HA -0.199 4.141 4.340 -0.001 0.000 0.215 396 L C 1.969 178.915 176.870 0.126 0.000 1.117 396 L CA 1.793 56.761 54.840 0.212 0.000 0.782 396 L CB -1.156 41.013 42.059 0.185 0.000 0.914 396 L HN 0.132 nan 8.230 nan 0.000 0.441 397 H N -0.912 118.184 119.070 0.044 0.000 2.299 397 H HA -0.063 4.493 4.556 -0.001 0.000 0.302 397 H C 2.248 177.539 175.328 -0.061 0.000 1.078 397 H CA 1.624 57.654 56.048 -0.029 0.000 1.323 397 H CB 0.102 29.857 29.762 -0.012 0.000 1.381 397 H HN 0.336 nan 8.280 nan 0.000 0.498 398 I N 0.539 121.118 120.570 0.014 0.000 2.226 398 I HA -0.260 3.910 4.170 -0.001 0.000 0.245 398 I C 2.533 178.640 176.117 -0.016 0.000 1.100 398 I CA 1.316 62.574 61.300 -0.070 0.000 1.374 398 I CB -0.339 37.557 38.000 -0.173 0.000 1.057 398 I HN 0.316 nan 8.210 nan 0.000 0.413 399 S N 0.853 116.576 115.700 0.039 0.000 2.469 399 S HA -0.066 4.404 4.470 -0.001 0.000 0.238 399 S C 1.679 176.273 174.600 -0.009 0.000 0.998 399 S CA 0.884 59.117 58.200 0.056 0.000 0.957 399 S CB -0.474 62.845 63.200 0.199 0.000 0.764 399 S HN 0.482 nan 8.310 nan 0.000 0.514 400 L N 0.424 121.651 121.223 0.007 0.000 2.693 400 L HA 0.391 4.730 4.340 -0.001 0.000 0.235 400 L C 1.621 178.463 176.870 -0.047 0.000 1.127 400 L CA 0.256 55.067 54.840 -0.049 0.000 0.914 400 L CB 0.037 42.099 42.059 0.005 0.000 1.193 400 L HN 0.523 nan 8.230 nan 0.000 0.502 401 G N 0.791 109.572 108.800 -0.031 0.000 2.143 401 G HA2 -0.261 3.699 3.960 -0.001 0.000 0.248 401 G HA3 -0.261 3.699 3.960 -0.001 0.000 0.248 401 G C 0.244 175.124 174.900 -0.034 0.000 0.991 401 G CA -0.071 45.017 45.100 -0.020 0.000 0.689 401 G HN 0.208 nan 8.290 nan 0.000 0.522 402 L N -0.022 121.175 121.223 -0.043 0.000 2.395 402 L HA 0.674 5.014 4.340 -0.001 0.000 0.269 402 L C 0.944 177.732 176.870 -0.138 0.000 1.133 402 L CA 0.293 55.080 54.840 -0.088 0.000 0.812 402 L CB 1.298 43.301 42.059 -0.092 0.000 1.125 402 L HN 0.406 nan 8.230 nan 0.000 0.452 403 G N 0.214 108.927 108.800 -0.146 0.000 2.616 403 G HA2 0.270 4.229 3.960 -0.001 0.000 0.294 403 G HA3 0.270 4.229 3.960 -0.001 0.000 0.294 403 G C -1.183 173.639 174.900 -0.129 0.000 1.489 403 G CA -0.650 44.365 45.100 -0.142 0.000 0.836 403 G HN 0.452 nan 8.290 nan 0.000 0.527 404 S N 0.420 116.045 115.700 -0.125 0.000 2.702 404 S HA 0.291 4.760 4.470 -0.001 0.000 0.314 404 S C 1.094 175.634 174.600 -0.101 0.000 1.244 404 S CA 0.961 59.101 58.200 -0.101 0.000 1.058 404 S CB 0.438 63.572 63.200 -0.110 0.000 0.783 404 S HN 1.452 nan 8.310 nan 0.000 0.503 405 T N -0.174 114.355 114.554 -0.041 0.000 3.584 405 T HA 0.281 4.630 4.350 -0.001 0.000 0.259 405 T C -0.361 174.343 174.700 0.008 0.000 1.009 405 T CA -0.547 61.526 62.100 -0.044 0.000 1.103 405 T CB -0.125 68.717 68.868 -0.043 0.000 1.099 405 T HN 0.739 nan 8.240 nan 0.000 0.539 406 H N 1.054 120.088 119.070 -0.060 0.000 3.225 406 H HA 0.245 4.801 4.556 -0.001 0.000 0.205 406 H C -0.305 175.007 175.328 -0.026 0.000 1.314 406 H CA -0.565 55.463 56.048 -0.033 0.000 1.336 406 H CB 0.104 29.851 29.762 -0.025 0.000 2.276 406 H HN 0.418 nan 8.280 nan 0.000 0.535 407 L N 2.410 123.667 121.223 0.056 0.000 2.776 407 L HA -0.116 4.224 4.340 -0.001 0.000 0.283 407 L C 1.018 177.959 176.870 0.118 0.000 1.194 407 L CA 0.930 55.812 54.840 0.070 0.000 0.947 407 L CB 0.261 42.364 42.059 0.073 0.000 1.255 407 L HN 0.405 nan 8.230 nan 0.000 0.481 408 T N 3.503 118.117 114.554 0.101 0.000 3.564 408 T HA 0.412 4.761 4.350 -0.001 0.000 0.266 408 T C 1.106 175.845 174.700 0.064 0.000 1.106 408 T CA -0.277 61.875 62.100 0.087 0.000 1.134 408 T CB 0.737 69.635 68.868 0.051 0.000 2.476 408 T HN 0.614 nan 8.240 nan 0.000 0.471 409 R N -0.095 120.429 120.500 0.041 0.000 4.548 409 R HA 0.167 4.506 4.340 -0.001 0.000 0.077 409 R C 1.016 177.325 176.300 0.015 0.000 0.695 409 R CA 0.558 56.673 56.100 0.025 0.000 1.570 409 R CB -0.854 29.451 30.300 0.007 0.000 1.517 409 R HN 0.678 nan 8.270 nan 0.000 0.411 410 D N 1.570 121.974 120.400 0.007 0.000 3.423 410 D HA -0.242 4.397 4.640 -0.001 0.000 0.510 410 D C 0.836 177.132 176.300 -0.007 0.000 0.603 410 D CA 1.585 55.583 54.000 -0.003 0.000 1.141 410 D CB -0.980 39.818 40.800 -0.004 0.000 0.337 410 D HN 0.519 nan 8.370 nan 0.000 0.209 411 G N -0.667 108.127 108.800 -0.009 0.000 2.349 411 G HA2 -0.211 3.748 3.960 -0.001 0.000 0.223 411 G HA3 -0.211 3.748 3.960 -0.001 0.000 0.223 411 G C 0.481 175.360 174.900 -0.035 0.000 0.736 411 G CA 0.450 45.541 45.100 -0.015 0.000 1.073 411 G HN 0.533 nan 8.290 nan 0.000 0.308 412 E N 1.157 121.325 120.200 -0.053 0.000 2.004 412 E HA 0.001 4.351 4.350 -0.001 0.000 0.193 412 E C 1.582 178.098 176.600 -0.139 0.000 0.985 412 E CA 1.246 57.593 56.400 -0.090 0.000 0.832 412 E CB 0.183 29.826 29.700 -0.095 0.000 0.787 412 E HN 0.905 nan 8.360 nan 0.000 0.466 413 R N 0.026 120.418 120.500 -0.180 0.000 2.429 413 R HA 0.016 4.355 4.340 -0.001 0.000 0.223 413 R C -0.238 175.908 176.300 -0.258 0.000 0.980 413 R CA -0.039 55.923 56.100 -0.231 0.000 0.776 413 R CB -0.241 29.856 30.300 -0.338 0.000 1.451 413 R HN -0.145 nan 8.270 nan 0.000 0.313 414 K N 0.569 120.928 120.400 -0.069 0.000 2.362 414 K HA -0.039 4.281 4.320 -0.001 0.000 0.202 414 K C 0.348 177.073 176.600 0.209 0.000 1.045 414 K CA 1.549 57.871 56.287 0.059 0.000 0.936 414 K CB -0.019 32.512 32.500 0.052 0.000 0.747 414 K HN 0.666 nan 8.250 nan 0.000 0.467 415 S N -2.345 113.438 115.700 0.138 0.000 2.688 415 S HA 0.480 4.949 4.470 -0.001 0.000 0.269 415 S C -1.302 173.394 174.600 0.160 0.000 1.060 415 S CA -1.209 57.175 58.200 0.306 0.000 0.844 415 S CB 0.812 64.141 63.200 0.215 0.000 1.095 415 S HN 0.018 nan 8.310 nan 0.000 0.466 416 M N 2.136 121.870 119.600 0.223 0.000 2.433 416 M HA 0.689 5.168 4.480 -0.001 0.000 0.290 416 M C -1.410 174.958 176.300 0.114 0.000 1.173 416 M CA -0.118 55.261 55.300 0.132 0.000 0.905 416 M CB 2.032 34.714 32.600 0.136 0.000 1.692 416 M HN 1.286 nan 8.290 nan 0.000 0.462 417 S N 2.442 118.184 115.700 0.071 0.000 2.720 417 S HA 0.945 5.415 4.470 -0.001 0.000 0.287 417 S C -1.400 173.222 174.600 0.036 0.000 1.168 417 S CA -0.790 57.443 58.200 0.054 0.000 0.832 417 S CB 2.290 65.518 63.200 0.047 0.000 1.166 417 S HN 0.623 nan 8.310 nan 0.000 0.493 418 V N 1.389 121.320 119.914 0.029 0.000 2.789 418 V HA 0.594 4.713 4.120 -0.001 0.000 0.300 418 V C -1.300 174.807 176.094 0.021 0.000 1.184 418 V CA -0.489 61.822 62.300 0.019 0.000 0.930 418 V CB 1.540 33.372 31.823 0.014 0.000 1.041 418 V HN 1.114 nan 8.190 nan 0.000 0.430 419 E N 4.767 124.979 120.200 0.020 0.000 2.383 419 E HA 0.812 5.162 4.350 -0.001 0.000 0.275 419 E C -1.471 175.150 176.600 0.035 0.000 0.918 419 E CA -1.263 55.155 56.400 0.029 0.000 0.764 419 E CB 3.310 33.021 29.700 0.017 0.000 1.252 419 E HN 0.522 nan 8.360 nan 0.000 0.449 420 R N 0.840 121.385 120.500 0.075 0.000 2.604 420 R HA 0.412 4.751 4.340 -0.001 0.000 0.281 420 R C -1.163 175.201 176.300 0.107 0.000 1.020 420 R CA -0.695 55.467 56.100 0.103 0.000 0.899 420 R CB 2.695 33.082 30.300 0.145 0.000 1.205 420 R HN 0.681 nan 8.270 nan 0.000 0.450 421 T N 2.820 117.366 114.554 -0.014 0.000 2.929 421 T HA 0.715 5.065 4.350 -0.001 0.000 0.284 421 T C -0.465 174.162 174.700 -0.122 0.000 1.014 421 T CA -0.486 61.449 62.100 -0.275 0.000 1.051 421 T CB 0.681 69.412 68.868 -0.228 0.000 1.028 421 T HN 0.464 nan 8.240 nan 0.000 0.485 422 F N -2.066 117.841 119.950 -0.071 0.000 3.052 422 F HA 0.715 5.241 4.527 -0.001 0.000 0.323 422 F C -0.379 175.381 175.800 -0.066 0.000 1.178 422 F CA -1.536 56.426 58.000 -0.063 0.000 0.892 422 F CB 0.331 39.300 39.000 -0.052 0.000 1.416 422 F HN 0.407 nan 8.300 nan 0.000 0.488 423 S N -0.249 115.615 115.700 0.273 0.000 2.600 423 S HA 0.235 4.704 4.470 -0.001 0.000 0.265 423 S C -0.241 174.504 174.600 0.241 0.000 1.325 423 S CA -0.441 57.851 58.200 0.153 0.000 1.002 423 S CB 0.638 63.895 63.200 0.095 0.000 0.921 423 S HN 0.725 nan 8.310 nan 0.000 0.554 424 E N 0.141 120.414 120.200 0.122 0.000 2.636 424 E HA -0.015 4.334 4.350 -0.001 0.000 0.278 424 E C -0.877 175.818 176.600 0.158 0.000 1.064 424 E CA 0.957 57.427 56.400 0.118 0.000 1.011 424 E CB 0.165 29.901 29.700 0.060 0.000 1.029 424 E HN 0.406 nan 8.360 nan 0.000 0.463 425 I N 2.886 123.544 120.570 0.147 0.000 2.731 425 I HA 0.151 4.321 4.170 -0.001 0.000 0.289 425 I C -0.406 175.761 176.117 0.083 0.000 1.399 425 I CA -0.502 60.858 61.300 0.100 0.000 1.048 425 I CB 1.688 39.752 38.000 0.107 0.000 1.345 425 I HN 0.740 nan 8.210 nan 0.000 0.425 426 N N 2.951 121.683 118.700 0.054 0.000 1.941 426 N HA 0.063 4.802 4.740 -0.001 0.000 0.229 426 N C -0.459 175.087 175.510 0.060 0.000 1.397 426 N CA -0.482 52.602 53.050 0.057 0.000 0.824 426 N CB 0.460 38.974 38.487 0.046 0.000 1.083 426 N HN 0.295 nan 8.380 nan 0.000 0.488 427 K N 1.544 121.975 120.400 0.052 0.000 2.312 427 K HA 0.572 4.892 4.320 -0.001 0.000 0.287 427 K C 1.131 177.790 176.600 0.098 0.000 1.062 427 K CA 0.181 56.505 56.287 0.062 0.000 0.934 427 K CB 1.315 33.840 32.500 0.041 0.000 1.027 427 K HN 0.175 nan 8.250 nan 0.000 0.478 428 A N 2.765 125.666 122.820 0.135 0.000 1.929 428 A HA -0.361 3.959 4.320 -0.001 0.000 0.221 428 A C 2.174 179.955 177.584 0.328 0.000 1.211 428 A CA 2.439 54.624 52.037 0.247 0.000 0.657 428 A CB -0.549 18.577 19.000 0.209 0.000 0.827 428 A HN 0.862 nan 8.150 nan 0.000 0.462 429 E N -0.260 120.043 120.200 0.172 0.000 2.006 429 E HA -0.211 4.139 4.350 -0.001 0.000 0.192 429 E C 2.034 178.712 176.600 0.131 0.000 0.993 429 E CA 1.783 58.266 56.400 0.139 0.000 0.808 429 E CB -0.490 29.245 29.700 0.059 0.000 0.764 429 E HN 0.670 nan 8.360 nan 0.000 0.449 430 E N -0.309 119.930 120.200 0.065 0.000 2.147 430 E HA -0.321 4.028 4.350 -0.001 0.000 0.199 430 E C 2.135 178.732 176.600 -0.006 0.000 1.005 430 E CA 1.669 58.074 56.400 0.008 0.000 0.810 430 E CB -0.065 29.620 29.700 -0.025 0.000 0.736 430 E HN 0.432 nan 8.360 nan 0.000 0.460 431 Q N -0.764 119.056 119.800 0.034 0.000 2.020 431 Q HA -0.188 4.152 4.340 -0.001 0.000 0.202 431 Q C 2.002 177.991 176.000 -0.018 0.000 0.982 431 Q CA 1.668 57.461 55.803 -0.016 0.000 0.838 431 Q CB -0.300 28.427 28.738 -0.018 0.000 0.899 431 Q HN 0.451 nan 8.270 nan 0.000 0.423 432 Y N 0.675 120.997 120.300 0.037 0.000 2.403 432 Y HA -0.179 4.371 4.550 -0.001 0.000 0.291 432 Y C 2.542 178.446 175.900 0.007 0.000 1.143 432 Y CA 1.048 59.203 58.100 0.092 0.000 1.257 432 Y CB 0.138 38.689 38.460 0.152 0.000 0.984 432 Y HN 0.056 nan 8.280 nan 0.000 0.550 433 S N -0.314 115.440 115.700 0.091 0.000 2.362 433 S HA -0.085 4.384 4.470 -0.001 0.000 0.221 433 S C 1.790 176.316 174.600 -0.123 0.000 1.032 433 S CA 0.487 58.667 58.200 -0.033 0.000 0.973 433 S CB -0.435 62.750 63.200 -0.026 0.000 0.849 433 S HN 0.392 nan 8.310 nan 0.000 0.465 434 L N 0.894 122.044 121.223 -0.121 0.000 2.633 434 L HA -0.038 4.301 4.340 -0.001 0.000 0.235 434 L C 1.947 178.734 176.870 -0.138 0.000 1.163 434 L CA 0.272 55.018 54.840 -0.156 0.000 0.859 434 L CB -0.208 41.715 42.059 -0.227 0.000 0.973 434 L HN 0.493 nan 8.230 nan 0.000 0.451 435 C N -1.237 117.967 119.300 -0.161 0.000 2.810 435 C HA -0.083 4.377 4.460 -0.001 0.000 0.283 435 C C 2.685 177.462 174.990 -0.355 0.000 1.408 435 C CA 0.561 59.479 59.018 -0.167 0.000 1.727 435 C CB -0.151 27.550 27.740 -0.064 0.000 2.089 435 C HN 0.639 nan 8.230 nan 0.000 0.608 436 Q N 0.863 120.197 119.800 -0.778 0.000 2.096 436 Q HA -0.291 4.049 4.340 -0.001 0.000 0.208 436 Q C 1.845 177.581 176.000 -0.440 0.000 0.993 436 Q CA 2.408 57.558 55.803 -1.088 0.000 0.862 436 Q CB -0.530 27.401 28.738 -1.344 0.000 0.915 436 Q HN 0.759 nan 8.270 nan 0.000 0.416 437 E N 0.301 120.323 120.200 -0.296 0.000 2.160 437 E HA -0.173 4.176 4.350 -0.001 0.000 0.195 437 E C 2.177 178.699 176.600 -0.129 0.000 0.991 437 E CA 1.051 57.349 56.400 -0.169 0.000 0.810 437 E CB -0.049 29.570 29.700 -0.134 0.000 0.742 437 E HN 0.378 nan 8.360 nan 0.000 0.466 438 L N 0.098 121.240 121.223 -0.136 0.000 1.960 438 L HA -0.206 4.133 4.340 -0.001 0.000 0.209 438 L C 2.652 179.485 176.870 -0.062 0.000 1.090 438 L CA 1.041 55.834 54.840 -0.077 0.000 0.759 438 L CB -0.536 41.489 42.059 -0.056 0.000 0.892 438 L HN 0.311 nan 8.230 nan 0.000 0.436 439 C N -0.844 118.416 119.300 -0.066 0.000 2.366 439 C HA -0.297 4.163 4.460 -0.001 0.000 0.271 439 C C 3.214 178.195 174.990 -0.016 0.000 1.152 439 C CA 1.344 60.349 59.018 -0.020 0.000 1.809 439 C CB -1.433 26.311 27.740 0.006 0.000 2.107 439 C HN 0.685 nan 8.230 nan 0.000 0.455 440 S N 0.640 116.311 115.700 -0.048 0.000 2.359 440 S HA -0.294 4.176 4.470 -0.001 0.000 0.222 440 S C 1.904 176.496 174.600 -0.013 0.000 1.038 440 S CA 2.331 60.514 58.200 -0.029 0.000 1.051 440 S CB -0.484 62.684 63.200 -0.053 0.000 0.944 440 S HN 0.783 nan 8.310 nan 0.000 0.433 441 E N 0.304 120.491 120.200 -0.021 0.000 2.070 441 E HA -0.198 4.151 4.350 -0.001 0.000 0.197 441 E C 2.033 178.637 176.600 0.007 0.000 1.004 441 E CA 1.648 58.043 56.400 -0.008 0.000 0.805 441 E CB -0.602 29.090 29.700 -0.014 0.000 0.744 441 E HN 0.443 nan 8.360 nan 0.000 0.451 442 L N 0.806 122.035 121.223 0.010 0.000 2.013 442 L HA -0.183 4.157 4.340 -0.001 0.000 0.212 442 L C 2.249 179.141 176.870 0.037 0.000 1.073 442 L CA 2.517 57.374 54.840 0.027 0.000 0.753 442 L CB -1.445 40.633 42.059 0.031 0.000 0.890 442 L HN 0.279 nan 8.230 nan 0.000 0.432 443 A N -0.859 121.981 122.820 0.032 0.000 1.842 443 A HA -0.342 3.978 4.320 -0.001 0.000 0.217 443 A C 2.114 179.720 177.584 0.036 0.000 1.206 443 A CA 2.261 54.320 52.037 0.037 0.000 0.630 443 A CB -0.968 18.051 19.000 0.032 0.000 0.839 443 A HN 0.661 nan 8.150 nan 0.000 0.447 444 Q N -0.530 119.286 119.800 0.026 0.000 2.103 444 Q HA -0.280 4.060 4.340 -0.001 0.000 0.213 444 Q C 1.743 177.761 176.000 0.030 0.000 1.008 444 Q CA 1.990 57.808 55.803 0.025 0.000 0.879 444 Q CB -0.470 28.278 28.738 0.018 0.000 0.946 444 Q HN 0.684 nan 8.270 nan 0.000 0.413 445 D N 0.155 120.574 120.400 0.032 0.000 2.178 445 D HA -0.131 4.509 4.640 -0.001 0.000 0.201 445 D C 1.903 178.230 176.300 0.044 0.000 0.980 445 D CA 0.676 54.697 54.000 0.035 0.000 0.842 445 D CB -0.144 40.676 40.800 0.034 0.000 0.948 445 D HN 0.116 nan 8.370 nan 0.000 0.472 446 L N 1.109 122.366 121.223 0.056 0.000 2.017 446 L HA -0.166 4.174 4.340 -0.001 0.000 0.208 446 L C 1.813 178.721 176.870 0.064 0.000 1.073 446 L CA 1.608 56.494 54.840 0.077 0.000 0.745 446 L CB -0.412 41.704 42.059 0.093 0.000 0.894 446 L HN -0.126 nan 8.230 nan 0.000 0.432 447 Q N -0.258 119.573 119.800 0.051 0.000 2.466 447 Q HA -0.060 4.280 4.340 -0.001 0.000 0.210 447 Q C 1.106 177.126 176.000 0.034 0.000 0.961 447 Q CA 0.574 56.403 55.803 0.043 0.000 0.953 447 Q CB -0.213 28.547 28.738 0.037 0.000 1.011 447 Q HN 0.476 nan 8.270 nan 0.000 0.516 448 K N 1.340 121.759 120.400 0.032 0.000 2.577 448 K HA 0.026 4.346 4.320 -0.001 0.000 0.210 448 K C -0.276 176.337 176.600 0.022 0.000 1.048 448 K CA 0.133 56.435 56.287 0.026 0.000 1.188 448 K CB 0.345 32.862 32.500 0.028 0.000 0.910 448 K HN 0.249 nan 8.250 nan 0.000 0.483 449 E N -0.823 119.391 120.200 0.023 0.000 2.847 449 E HA 0.013 4.362 4.350 -0.001 0.000 0.233 449 E C -0.985 175.630 176.600 0.025 0.000 1.052 449 E CA -0.388 56.021 56.400 0.015 0.000 1.179 449 E CB -0.630 29.070 29.700 0.001 0.000 1.080 449 E HN 0.016 nan 8.360 nan 0.000 0.401 450 R N 1.348 121.868 120.500 0.034 0.000 2.057 450 R HA -0.160 4.180 4.340 -0.001 0.000 0.157 450 R C -0.520 175.820 176.300 0.067 0.000 0.387 450 R CA 0.464 56.592 56.100 0.047 0.000 0.411 450 R CB -0.601 29.721 30.300 0.037 0.000 1.648 450 R HN 0.205 nan 8.270 nan 0.000 0.556 451 L N 1.608 122.892 121.223 0.101 0.000 2.344 451 L HA 0.422 4.762 4.340 -0.001 0.000 0.272 451 L C 0.182 177.187 176.870 0.226 0.000 1.035 451 L CA -0.271 54.678 54.840 0.183 0.000 0.807 451 L CB 1.611 43.787 42.059 0.195 0.000 1.237 451 L HN 0.222 nan 8.230 nan 0.000 0.442 452 K N 1.410 121.966 120.400 0.261 0.000 2.615 452 K HA 0.627 4.946 4.320 -0.001 0.000 0.249 452 K C -0.382 176.216 176.600 -0.003 0.000 0.977 452 K CA -0.595 55.757 56.287 0.108 0.000 0.833 452 K CB 2.007 34.545 32.500 0.063 0.000 1.208 452 K HN 0.755 nan 8.250 nan 0.000 0.443 453 G N 1.047 109.678 108.800 -0.281 0.000 2.613 453 G HA2 0.377 4.337 3.960 -0.001 0.000 0.303 453 G HA3 0.377 4.337 3.960 -0.001 0.000 0.303 453 G C 0.236 174.957 174.900 -0.299 0.000 1.312 453 G CA -0.660 44.087 45.100 -0.588 0.000 1.036 453 G HN 0.692 nan 8.290 nan 0.000 0.513 454 R N -1.425 118.908 120.500 -0.279 0.000 2.572 454 R HA 0.284 4.624 4.340 -0.001 0.000 0.370 454 R C -0.676 175.548 176.300 -0.126 0.000 1.005 454 R CA -0.190 55.820 56.100 -0.150 0.000 1.146 454 R CB 0.607 30.850 30.300 -0.095 0.000 1.390 454 R HN 0.266 nan 8.270 nan 0.000 0.553 455 T N 1.088 115.545 114.554 -0.162 0.000 3.109 455 T HA 0.340 4.689 4.350 -0.001 0.000 0.311 455 T C -1.375 173.265 174.700 -0.100 0.000 1.011 455 T CA -0.373 61.663 62.100 -0.106 0.000 1.026 455 T CB 2.439 71.258 68.868 -0.081 0.000 1.047 455 T HN -0.055 nan 8.240 nan 0.000 0.448 456 V N 3.935 123.813 119.914 -0.060 0.000 2.513 456 V HA 0.744 4.863 4.120 -0.001 0.000 0.299 456 V C 0.058 176.143 176.094 -0.016 0.000 1.035 456 V CA -0.399 61.880 62.300 -0.036 0.000 0.889 456 V CB 2.186 33.997 31.823 -0.020 0.000 0.988 456 V HN 1.051 nan 8.190 nan 0.000 0.440 457 T N 5.209 119.760 114.554 -0.005 0.000 2.916 457 T HA 0.773 5.122 4.350 -0.001 0.000 0.292 457 T C -0.447 174.258 174.700 0.010 0.000 1.064 457 T CA -0.484 61.617 62.100 0.002 0.000 1.011 457 T CB 2.087 70.957 68.868 0.004 0.000 1.152 457 T HN 0.703 nan 8.240 nan 0.000 0.510 458 I N -1.675 118.900 120.570 0.008 0.000 3.145 458 I HA 0.851 5.020 4.170 -0.001 0.000 0.313 458 I C -1.291 174.831 176.117 0.009 0.000 1.122 458 I CA -1.261 60.045 61.300 0.010 0.000 0.987 458 I CB 2.490 40.494 38.000 0.007 0.000 1.236 458 I HN 0.469 nan 8.210 nan 0.000 0.453 459 K N 3.635 124.041 120.400 0.011 0.000 2.541 459 K HA 0.624 4.944 4.320 -0.001 0.000 0.250 459 K C -2.018 174.586 176.600 0.006 0.000 0.950 459 K CA -0.553 55.739 56.287 0.009 0.000 0.805 459 K CB 1.954 34.460 32.500 0.011 0.000 1.166 459 K HN 0.712 nan 8.250 nan 0.000 0.430 460 L N 4.512 125.736 121.223 0.002 0.000 2.388 460 L HA 0.414 4.753 4.340 -0.001 0.000 0.267 460 L C -0.669 176.194 176.870 -0.011 0.000 0.995 460 L CA -0.757 54.083 54.840 0.000 0.000 0.864 460 L CB 1.587 43.651 42.059 0.008 0.000 1.216 460 L HN 0.451 nan 8.230 nan 0.000 0.430 461 K N 2.649 123.018 120.400 -0.051 0.000 2.234 461 K HA 0.331 4.651 4.320 -0.001 0.000 0.277 461 K C 0.182 176.713 176.600 -0.114 0.000 1.038 461 K CA -0.499 55.743 56.287 -0.075 0.000 0.888 461 K CB 0.908 33.336 32.500 -0.120 0.000 1.091 461 K HN 0.383 nan 8.250 nan 0.000 0.467 462 N N 1.254 119.920 118.700 -0.056 0.000 2.250 462 N HA -0.066 4.673 4.740 -0.001 0.000 0.256 462 N C 0.448 175.861 175.510 -0.162 0.000 1.302 462 N CA -0.119 52.902 53.050 -0.049 0.000 0.894 462 N CB 0.300 38.803 38.487 0.027 0.000 1.067 462 N HN 0.292 nan 8.380 nan 0.000 0.487 463 V N 0.577 120.428 119.914 -0.106 0.000 3.596 463 V HA 0.074 4.193 4.120 -0.001 0.000 0.289 463 V C 0.717 176.776 176.094 -0.058 0.000 1.336 463 V CA 0.371 62.578 62.300 -0.154 0.000 1.137 463 V CB -1.150 30.637 31.823 -0.060 0.000 0.966 463 V HN 0.657 nan 8.190 nan 0.000 0.428 464 N N -0.995 117.734 118.700 0.047 0.000 2.159 464 N HA 0.072 4.811 4.740 -0.001 0.000 0.217 464 N C 0.480 176.323 175.510 0.555 0.000 1.223 464 N CA -0.222 53.002 53.050 0.290 0.000 0.896 464 N CB 0.647 39.239 38.487 0.176 0.000 1.064 464 N HN 0.324 nan 8.380 nan 0.000 0.518 465 F N 0.255 120.241 119.950 0.061 0.000 2.628 465 F HA -0.166 4.361 4.527 -0.001 0.000 0.319 465 F C 0.022 175.849 175.800 0.045 0.000 0.645 465 F CA -0.101 57.935 58.000 0.059 0.000 1.499 465 F CB -2.054 37.015 39.000 0.115 0.000 1.900 465 F HN 0.023 nan 8.300 nan 0.000 0.308 466 E N 2.169 122.470 120.200 0.168 0.000 1.833 466 E HA 0.223 4.572 4.350 -0.001 0.000 0.258 466 E C 0.367 177.015 176.600 0.080 0.000 1.257 466 E CA 0.076 56.545 56.400 0.116 0.000 1.003 466 E CB 0.308 30.067 29.700 0.099 0.000 1.068 466 E HN 0.119 nan 8.360 nan 0.000 0.422 467 V N 3.414 123.377 119.914 0.083 0.000 2.963 467 V HA 0.077 4.196 4.120 -0.001 0.000 0.306 467 V C 0.683 176.799 176.094 0.037 0.000 1.077 467 V CA 0.441 62.773 62.300 0.053 0.000 1.124 467 V CB 0.747 32.606 31.823 0.060 0.000 0.987 467 V HN 0.469 nan 8.190 nan 0.000 0.487 468 K N 0.798 121.212 120.400 0.022 0.000 2.556 468 K HA 0.617 4.936 4.320 -0.001 0.000 0.274 468 K C -1.094 175.509 176.600 0.006 0.000 0.966 468 K CA -0.682 55.612 56.287 0.011 0.000 0.865 468 K CB 2.341 34.843 32.500 0.003 0.000 1.444 468 K HN 0.741 nan 8.250 nan 0.000 0.433 469 T N 1.216 115.771 114.554 0.001 0.000 3.170 469 T HA 0.414 4.764 4.350 -0.001 0.000 0.315 469 T C -1.388 173.309 174.700 -0.005 0.000 0.967 469 T CA -0.845 61.255 62.100 0.001 0.000 1.024 469 T CB 0.576 69.448 68.868 0.006 0.000 1.018 469 T HN 0.361 nan 8.240 nan 0.000 0.449 470 R N 2.463 122.958 120.500 -0.008 0.000 2.732 470 R HA 0.961 5.300 4.340 -0.001 0.000 0.278 470 R C -0.344 175.951 176.300 -0.008 0.000 0.976 470 R CA -0.682 55.411 56.100 -0.012 0.000 0.963 470 R CB 1.766 32.055 30.300 -0.018 0.000 1.150 470 R HN 0.852 nan 8.270 nan 0.000 0.478 471 A N 0.111 122.924 122.820 -0.010 0.000 2.583 471 A HA 0.735 5.054 4.320 -0.001 0.000 0.289 471 A C -1.167 176.409 177.584 -0.013 0.000 1.151 471 A CA -0.520 51.511 52.037 -0.010 0.000 0.695 471 A CB 2.125 21.119 19.000 -0.011 0.000 1.290 471 A HN 0.533 nan 8.150 nan 0.000 0.419 472 S N -1.103 114.587 115.700 -0.016 0.000 2.541 472 S HA 0.753 5.223 4.470 -0.001 0.000 0.271 472 S C -1.097 173.488 174.600 -0.026 0.000 1.133 472 S CA 0.290 58.479 58.200 -0.019 0.000 0.876 472 S CB 1.866 65.057 63.200 -0.016 0.000 1.105 472 S HN 1.716 nan 8.310 nan 0.000 0.470 473 T N 2.016 116.554 114.554 -0.027 0.000 2.881 473 T HA 0.723 5.072 4.350 -0.001 0.000 0.290 473 T C -1.061 173.621 174.700 -0.031 0.000 1.000 473 T CA -0.332 61.748 62.100 -0.034 0.000 0.978 473 T CB 0.714 69.563 68.868 -0.031 0.000 0.997 473 T HN 1.329 nan 8.240 nan 0.000 0.443 474 V N 2.171 122.064 119.914 -0.036 0.000 2.971 474 V HA 0.738 4.858 4.120 -0.001 0.000 0.309 474 V C 0.243 176.318 176.094 -0.032 0.000 1.130 474 V CA -0.719 61.564 62.300 -0.030 0.000 0.964 474 V CB 1.851 33.657 31.823 -0.027 0.000 1.029 474 V HN 0.971 nan 8.190 nan 0.000 0.427 475 S N 1.628 117.314 115.700 -0.024 0.000 4.053 475 S HA 0.260 4.730 4.470 -0.001 0.000 0.184 475 S C 0.602 175.190 174.600 -0.020 0.000 1.324 475 S CA 0.294 58.481 58.200 -0.021 0.000 0.956 475 S CB -0.398 62.792 63.200 -0.016 0.000 1.503 475 S HN 0.892 nan 8.310 nan 0.000 0.440 476 S N 0.244 115.929 115.700 -0.026 0.000 2.891 476 S HA 0.279 4.748 4.470 -0.001 0.000 0.247 476 S C 0.582 175.169 174.600 -0.022 0.000 1.063 476 S CA 0.326 58.513 58.200 -0.022 0.000 0.857 476 S CB 0.287 63.473 63.200 -0.022 0.000 0.800 476 S HN 0.788 nan 8.310 nan 0.000 0.540 477 V N 1.474 121.366 119.914 -0.037 0.000 5.714 477 V HA -0.158 3.962 4.120 -0.001 0.000 0.319 477 V C 0.162 176.234 176.094 -0.036 0.000 0.357 477 V CA -0.166 62.110 62.300 -0.040 0.000 0.723 477 V CB -2.546 29.269 31.823 -0.014 0.000 0.496 477 V HN 0.311 nan 8.190 nan 0.000 1.475 478 V N 1.219 121.109 119.914 -0.040 0.000 3.103 478 V HA 0.175 4.295 4.120 -0.001 0.000 0.292 478 V C 1.333 177.415 176.094 -0.019 0.000 1.269 478 V CA 1.898 64.182 62.300 -0.025 0.000 1.370 478 V CB 1.307 33.115 31.823 -0.026 0.000 0.945 478 V HN 1.227 nan 8.190 nan 0.000 0.521 479 S N -0.830 114.873 115.700 0.005 0.000 2.752 479 S HA 0.138 4.607 4.470 -0.001 0.000 0.242 479 S C 0.094 174.713 174.600 0.033 0.000 0.914 479 S CA 0.207 58.420 58.200 0.023 0.000 1.427 479 S CB 0.217 63.438 63.200 0.035 0.000 1.244 479 S HN 1.190 nan 8.310 nan 0.000 0.655 480 T N -1.142 113.431 114.554 0.031 0.000 2.940 480 T HA 0.852 5.202 4.350 -0.001 0.000 0.288 480 T C 1.476 176.204 174.700 0.046 0.000 1.045 480 T CA 0.083 62.206 62.100 0.037 0.000 1.018 480 T CB 1.254 70.142 68.868 0.034 0.000 1.151 480 T HN 0.653 nan 8.240 nan 0.000 0.529 481 A N 1.243 124.090 122.820 0.045 0.000 2.200 481 A HA -0.176 4.143 4.320 -0.001 0.000 0.210 481 A C 2.020 179.656 177.584 0.088 0.000 1.266 481 A CA 2.028 54.095 52.037 0.049 0.000 0.839 481 A CB -1.591 17.432 19.000 0.038 0.000 0.813 481 A HN 1.011 nan 8.150 nan 0.000 0.520 482 E N -0.506 119.761 120.200 0.110 0.000 2.265 482 E HA -0.200 4.150 4.350 -0.001 0.000 0.196 482 E C 1.865 178.554 176.600 0.148 0.000 0.996 482 E CA 1.106 57.621 56.400 0.192 0.000 0.832 482 E CB -0.266 29.537 29.700 0.172 0.000 0.756 482 E HN 0.579 nan 8.360 nan 0.000 0.491 483 E N 0.654 120.907 120.200 0.088 0.000 2.048 483 E HA -0.225 4.124 4.350 -0.001 0.000 0.202 483 E C 2.268 178.908 176.600 0.066 0.000 1.021 483 E CA 1.538 57.972 56.400 0.056 0.000 0.825 483 E CB -0.351 29.372 29.700 0.039 0.000 0.756 483 E HN 0.429 nan 8.360 nan 0.000 0.454 484 I N 0.346 120.967 120.570 0.086 0.000 2.179 484 I HA -0.255 3.914 4.170 -0.001 0.000 0.242 484 I C 2.344 178.563 176.117 0.169 0.000 1.088 484 I CA 0.636 61.992 61.300 0.093 0.000 1.357 484 I CB -0.350 37.697 38.000 0.079 0.000 1.051 484 I HN 0.040 nan 8.210 nan 0.000 0.409 485 F N 2.193 122.151 119.950 0.013 0.000 2.411 485 F HA -0.194 4.332 4.527 -0.001 0.000 0.299 485 F C 2.073 177.890 175.800 0.029 0.000 1.077 485 F CA 0.415 58.429 58.000 0.024 0.000 1.439 485 F CB -0.816 38.202 39.000 0.030 0.000 1.085 485 F HN 0.024 nan 8.300 nan 0.000 0.564 486 A N 1.177 124.013 122.820 0.027 0.000 1.994 486 A HA -0.122 4.197 4.320 -0.001 0.000 0.202 486 A C 2.157 179.706 177.584 -0.058 0.000 1.286 486 A CA 1.463 53.451 52.037 -0.081 0.000 0.653 486 A CB -1.212 17.768 19.000 -0.033 0.000 0.926 486 A HN 0.167 nan 8.150 nan 0.000 0.494 487 I N 0.260 120.819 120.570 -0.018 0.000 2.300 487 I HA -0.311 3.858 4.170 -0.001 0.000 0.252 487 I C 2.857 178.982 176.117 0.014 0.000 1.119 487 I CA 1.778 63.072 61.300 -0.009 0.000 1.384 487 I CB -1.733 36.263 38.000 -0.008 0.000 1.062 487 I HN 0.461 nan 8.210 nan 0.000 0.426 488 A N 0.378 123.230 122.820 0.053 0.000 1.930 488 A HA -0.237 4.082 4.320 -0.001 0.000 0.217 488 A C 2.466 180.121 177.584 0.117 0.000 1.175 488 A CA 1.692 53.786 52.037 0.094 0.000 0.627 488 A CB -0.511 18.579 19.000 0.151 0.000 0.815 488 A HN 0.393 nan 8.150 nan 0.000 0.443 489 K N -0.261 120.195 120.400 0.093 0.000 2.009 489 K HA -0.203 4.116 4.320 -0.001 0.000 0.210 489 K C 1.973 178.623 176.600 0.083 0.000 1.049 489 K CA 1.855 58.170 56.287 0.046 0.000 0.929 489 K CB -0.191 32.068 32.500 -0.401 0.000 0.714 489 K HN 0.611 nan 8.250 nan 0.000 0.440 490 E N 0.428 120.641 120.200 0.022 0.000 2.107 490 E HA -0.124 4.226 4.350 -0.001 0.000 0.191 490 E C 2.146 178.762 176.600 0.028 0.000 0.982 490 E CA 0.652 57.072 56.400 0.034 0.000 0.809 490 E CB 0.012 29.712 29.700 0.000 0.000 0.756 490 E HN 0.298 nan 8.360 nan 0.000 0.459 491 L N 0.742 121.974 121.223 0.015 0.000 2.043 491 L HA -0.232 4.108 4.340 -0.001 0.000 0.212 491 L C 2.529 179.395 176.870 -0.007 0.000 1.075 491 L CA 0.692 55.533 54.840 0.003 0.000 0.752 491 L CB -0.353 41.709 42.059 0.004 0.000 0.891 491 L HN 0.244 nan 8.230 nan 0.000 0.432 492 L N -0.037 121.176 121.223 -0.017 0.000 2.217 492 L HA -0.164 4.175 4.340 -0.001 0.000 0.211 492 L C 2.344 179.170 176.870 -0.073 0.000 1.107 492 L CA 1.658 56.449 54.840 -0.082 0.000 0.783 492 L CB -0.727 41.226 42.059 -0.176 0.000 0.919 492 L HN 0.147 nan 8.230 nan 0.000 0.442 493 K N -1.168 119.247 120.400 0.025 0.000 2.044 493 K HA -0.112 4.208 4.320 -0.001 0.000 0.204 493 K C 1.765 178.398 176.600 0.055 0.000 1.049 493 K CA 1.568 57.927 56.287 0.119 0.000 0.945 493 K CB -0.126 32.478 32.500 0.174 0.000 0.724 493 K HN 0.362 nan 8.250 nan 0.000 0.440 494 T N 1.764 116.332 114.554 0.022 0.000 2.721 494 T HA -0.163 4.186 4.350 -0.001 0.000 0.268 494 T C 1.449 176.135 174.700 -0.023 0.000 1.038 494 T CA 1.500 63.598 62.100 -0.003 0.000 1.145 494 T CB -0.204 68.656 68.868 -0.014 0.000 0.858 494 T HN 0.307 nan 8.240 nan 0.000 0.459 495 E N 1.151 121.334 120.200 -0.029 0.000 1.999 495 E HA 0.018 4.368 4.350 -0.001 0.000 0.194 495 E C 2.394 178.972 176.600 -0.038 0.000 0.995 495 E CA 0.776 57.143 56.400 -0.054 0.000 0.825 495 E CB -0.757 28.915 29.700 -0.046 0.000 0.777 495 E HN 0.483 nan 8.360 nan 0.000 0.459 496 I N 1.749 122.327 120.570 0.015 0.000 2.229 496 I HA -0.328 3.842 4.170 -0.001 0.000 0.250 496 I C 1.764 177.922 176.117 0.068 0.000 1.096 496 I CA 1.378 62.721 61.300 0.072 0.000 1.358 496 I CB -0.446 37.615 38.000 0.102 0.000 1.047 496 I HN 0.032 nan 8.210 nan 0.000 0.422 497 D N 1.121 121.545 120.400 0.041 0.000 2.191 497 D HA 0.016 4.655 4.640 -0.001 0.000 0.221 497 D C 2.227 178.521 176.300 -0.010 0.000 1.006 497 D CA 1.399 55.418 54.000 0.031 0.000 0.910 497 D CB -0.618 40.203 40.800 0.034 0.000 1.031 497 D HN 0.209 nan 8.370 nan 0.000 0.447 498 A N -0.014 122.784 122.820 -0.036 0.000 2.287 498 A HA -0.173 4.146 4.320 -0.001 0.000 0.221 498 A C 0.524 178.044 177.584 -0.107 0.000 1.184 498 A CA 1.812 53.811 52.037 -0.064 0.000 0.679 498 A CB -0.290 18.666 19.000 -0.074 0.000 0.802 498 A HN 0.325 nan 8.150 nan 0.000 0.493 499 D N -3.996 116.323 120.400 -0.135 0.000 2.783 499 D HA 0.352 4.991 4.640 -0.001 0.000 0.253 499 D C -0.671 175.577 176.300 -0.086 0.000 1.206 499 D CA -0.389 53.491 54.000 -0.201 0.000 0.740 499 D CB 0.119 40.633 40.800 -0.475 0.000 1.313 499 D HN 0.344 nan 8.370 nan 0.000 0.427 500 F N -0.067 119.801 119.950 -0.137 0.000 2.444 500 F HA -0.112 4.414 4.527 -0.001 0.000 0.447 500 F C -1.780 173.989 175.800 -0.053 0.000 1.176 500 F CA -0.294 57.589 58.000 -0.194 0.000 1.427 500 F CB -0.567 38.367 39.000 -0.109 0.000 2.142 500 F HN 0.263 nan 8.300 nan 0.000 0.763 501 P HA -0.037 nan 4.420 nan 0.000 0.256 501 P C -0.284 177.220 177.300 0.339 0.000 1.335 501 P CA 1.075 64.317 63.100 0.236 0.000 0.808 501 P CB -0.077 31.748 31.700 0.209 0.000 1.305 502 H N 0.433 119.537 119.070 0.057 0.000 2.457 502 H HA 0.387 4.942 4.556 -0.001 0.000 0.335 502 H C -2.193 173.122 175.328 -0.022 0.000 1.115 502 H CA -2.832 53.192 56.048 -0.041 0.000 1.219 502 H CB 0.965 30.616 29.762 -0.185 0.000 1.471 502 H HN -0.026 nan 8.280 nan 0.000 0.491 503 P HA -0.074 nan 4.420 nan 0.000 0.269 503 P C -0.992 176.342 177.300 0.057 0.000 1.217 503 P CA -0.404 62.747 63.100 0.085 0.000 0.783 503 P CB 0.499 32.233 31.700 0.057 0.000 0.898 504 L N 0.326 121.613 121.223 0.106 0.000 2.265 504 L HA 0.550 4.889 4.340 -0.001 0.000 0.289 504 L C 0.064 176.980 176.870 0.076 0.000 1.033 504 L CA -0.822 54.093 54.840 0.126 0.000 0.814 504 L CB 0.188 42.367 42.059 0.201 0.000 1.203 504 L HN 0.107 nan 8.230 nan 0.000 0.423 505 R N 3.469 123.995 120.500 0.044 0.000 2.248 505 R HA 0.571 4.911 4.340 -0.001 0.000 0.337 505 R C -0.580 175.738 176.300 0.030 0.000 1.106 505 R CA -0.138 55.983 56.100 0.035 0.000 0.959 505 R CB -0.016 30.290 30.300 0.011 0.000 1.075 505 R HN 0.511 nan 8.270 nan 0.000 0.480 506 L N 2.318 123.577 121.223 0.060 0.000 2.416 506 L HA 0.532 4.871 4.340 -0.001 0.000 0.262 506 L C 1.508 178.368 176.870 -0.016 0.000 1.093 506 L CA -0.014 54.850 54.840 0.040 0.000 0.801 506 L CB 0.987 43.127 42.059 0.135 0.000 1.191 506 L HN 0.660 nan 8.230 nan 0.000 0.459 507 R N 0.586 120.911 120.500 -0.292 0.000 2.532 507 R HA 0.392 4.731 4.340 -0.001 0.000 0.312 507 R C -0.942 174.567 176.300 -1.319 0.000 0.923 507 R CA -0.287 55.410 56.100 -0.671 0.000 1.115 507 R CB 0.641 30.647 30.300 -0.489 0.000 1.703 507 R HN 0.373 nan 8.270 nan 0.000 0.498 508 L N 1.458 122.155 121.223 -0.877 0.000 2.506 508 L HA 0.660 4.999 4.340 -0.001 0.000 0.257 508 L C -2.119 174.652 176.870 -0.165 0.000 0.964 508 L CA -0.650 53.814 54.840 -0.627 0.000 0.836 508 L CB 2.393 44.236 42.059 -0.360 0.000 1.384 508 L HN 0.319 nan 8.230 nan 0.000 0.410 509 M N 2.731 122.348 119.600 0.028 0.000 2.471 509 M HA 0.677 5.156 4.480 -0.001 0.000 0.284 509 M C -1.419 174.931 176.300 0.082 0.000 1.203 509 M CA -0.211 55.151 55.300 0.104 0.000 0.915 509 M CB 2.567 35.290 32.600 0.205 0.000 1.734 509 M HN 0.838 nan 8.290 nan 0.000 0.485 510 G N 2.050 110.877 108.800 0.045 0.000 2.632 510 G HA2 0.615 4.574 3.960 -0.001 0.000 0.292 510 G HA3 0.615 4.574 3.960 -0.001 0.000 0.292 510 G C -2.050 172.865 174.900 0.025 0.000 1.465 510 G CA -0.553 44.567 45.100 0.034 0.000 0.824 510 G HN 0.942 nan 8.290 nan 0.000 0.509 511 V N -1.385 118.544 119.914 0.024 0.000 2.735 511 V HA 0.899 5.018 4.120 -0.001 0.000 0.310 511 V C -0.250 175.861 176.094 0.029 0.000 1.061 511 V CA -1.266 61.048 62.300 0.024 0.000 0.913 511 V CB 1.937 33.775 31.823 0.026 0.000 1.005 511 V HN 0.967 nan 8.190 nan 0.000 0.428 512 R N 3.204 123.721 120.500 0.028 0.000 2.514 512 R HA 0.638 4.977 4.340 -0.001 0.000 0.296 512 R C -1.592 174.724 176.300 0.027 0.000 1.012 512 R CA -0.651 55.473 56.100 0.038 0.000 0.897 512 R CB 1.987 32.311 30.300 0.041 0.000 1.184 512 R HN 1.007 nan 8.270 nan 0.000 0.440 513 I N 4.274 124.865 120.570 0.035 0.000 2.331 513 I HA 0.368 4.537 4.170 -0.001 0.000 0.292 513 I C -0.729 175.359 176.117 -0.047 0.000 0.998 513 I CA 0.080 61.359 61.300 -0.036 0.000 1.267 513 I CB 1.151 39.122 38.000 -0.048 0.000 1.386 513 I HN 0.875 nan 8.210 nan 0.000 0.476 514 S N 3.245 118.837 115.700 -0.180 0.000 2.794 514 S HA 0.617 5.087 4.470 -0.001 0.000 0.299 514 S C -0.407 173.974 174.600 -0.364 0.000 1.179 514 S CA -0.583 57.539 58.200 -0.130 0.000 0.838 514 S CB 1.559 64.797 63.200 0.064 0.000 1.206 514 S HN 0.763 nan 8.310 nan 0.000 0.523 515 S N 0.212 115.862 115.700 -0.084 0.000 3.688 515 S HA -0.078 4.391 4.470 -0.001 0.000 0.561 515 S C -0.756 173.738 174.600 -0.177 0.000 0.708 515 S CA 0.132 58.302 58.200 -0.050 0.000 1.405 515 S CB -2.062 61.089 63.200 -0.082 0.000 0.887 515 S HN 0.604 nan 8.310 nan 0.000 0.801 516 F N 2.571 122.524 119.950 0.004 0.000 2.457 516 F HA 0.652 5.178 4.527 -0.001 0.000 0.330 516 F C -1.216 174.586 175.800 0.003 0.000 1.069 516 F CA -2.197 55.806 58.000 0.005 0.000 1.009 516 F CB -0.149 38.855 39.000 0.006 0.000 1.276 516 F HN 0.128 nan 8.300 nan 0.000 0.492 517 P HA -0.074 nan 4.420 nan 0.000 0.266 517 P C -0.809 176.543 177.300 0.086 0.000 1.193 517 P CA 0.009 63.170 63.100 0.101 0.000 0.770 517 P CB 0.554 32.303 31.700 0.083 0.000 0.836 518 N N 2.337 121.070 118.700 0.054 0.000 2.949 518 N HA 0.101 4.841 4.740 -0.001 0.000 0.243 518 N C -0.378 175.148 175.510 0.027 0.000 1.113 518 N CA 0.005 53.078 53.050 0.039 0.000 0.980 518 N CB 0.129 38.633 38.487 0.029 0.000 1.256 518 N HN 0.429 nan 8.380 nan 0.000 0.508 519 E N 0.596 120.811 120.200 0.026 0.000 3.956 519 E HA 0.111 4.461 4.350 -0.001 0.000 0.177 519 E C -0.988 175.620 176.600 0.014 0.000 1.028 519 E CA -0.230 56.181 56.400 0.019 0.000 1.463 519 E CB 0.514 30.226 29.700 0.021 0.000 1.145 519 E HN 0.321 nan 8.360 nan 0.000 0.423 520 E N 1.082 121.288 120.200 0.011 0.000 2.231 520 E HA 0.611 4.961 4.350 -0.001 0.000 0.277 520 E C 0.008 176.608 176.600 0.001 0.000 0.999 520 E CA 0.369 56.771 56.400 0.004 0.000 0.827 520 E CB 1.290 30.989 29.700 -0.000 0.000 1.101 520 E HN 0.353 nan 8.360 nan 0.000 0.393 521 D N 0.000 120.399 120.400 -0.001 0.000 6.856 521 D HA 0.000 4.639 4.640 -0.001 0.000 0.175 521 D CA 0.000 nan 54.000 nan 0.000 0.868 521 D CB 0.000 nan 40.800 nan 0.000 0.688 521 D HN 0.000 nan 8.370 nan 0.000 0.683