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 3gxf_1_C DATA FIRST_RESID 1 DATA SEQUENCE ARPcIPKSFG YSSVVcVcNA TYcDSFDPPT FPALGTFSRY ESTRSGRRME DATA SEQUENCE LSMGPIQANH TGTGLLLTLQ PEQKFQKVKG FGGAMTDAAA LNILALSPPA DATA SEQUENCE QNLLLKSYFS EEGIGYNIIR VPMASCDFSI RTYTYADTPD DFQLHNFSLP DATA SEQUENCE EEDTKLKIPL IHRALQLAQR PVSLLASPWT SPTWLKTNGA VNGKGSLKGQ DATA SEQUENCE PGDIYHQTWA RYFVKFLDAY AEHKLQFWAV TAENEPSAGL LSGYPFQCLG DATA SEQUENCE FTPEHQRDFI ARDLGPTLAN STHHNVRLLM LDDQRLLLPH WAKVVLTDPE DATA SEQUENCE AAKYVHGIAV HWYLDFLAPA KATLGETHRL FPNTMLFASE ACVGSKFWEQ DATA SEQUENCE SVRLGSWDRG MQYSHSIITN LLYHVVGWTD WNLALNPEGG PNWVRNFVDS DATA SEQUENCE PIIVDITKDT FYKQPMFYHL GHFSKFIPEG SQRVGLVASQ KNDLDAVALM DATA SEQUENCE HPDGSAVVVV LNRSSKDVPL TIKDPAVGFL ETISPGYSIH TYLWHRQ VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.547 177.584 -0.061 0.000 1.274 1 A CA 0.000 52.018 52.037 -0.032 0.000 0.836 1 A CB 0.000 18.980 19.000 -0.034 0.000 0.831 2 R N 1.093 121.521 120.500 -0.120 0.000 2.437 2 R HA 0.561 4.902 4.340 0.001 0.000 0.310 2 R C -2.858 173.397 176.300 -0.075 0.000 0.955 2 R CA -1.845 54.182 56.100 -0.122 0.000 0.851 2 R CB 2.107 32.204 30.300 -0.339 0.000 1.161 2 R HN 0.386 nan 8.270 nan 0.000 0.446 3 P HA 0.037 nan 4.420 nan 0.000 0.276 3 P C -0.051 177.306 177.300 0.095 0.000 1.252 3 P CA -0.617 62.502 63.100 0.032 0.000 0.802 3 P CB 0.768 32.489 31.700 0.035 0.000 1.035 4 c N 2.964 121.582 118.600 0.030 0.000 2.563 4 c HA 0.059 4.630 4.570 0.001 0.000 0.411 4 c C 0.560 174.679 174.090 0.049 0.000 1.386 4 c CA -0.160 56.196 56.329 0.046 0.000 1.703 4 c CB -1.817 40.673 42.510 -0.034 0.000 2.596 4 c HN 0.263 nan 8.230 nan 0.000 0.605 5 I N 9.129 129.729 120.570 0.050 0.000 2.307 5 I HA 0.316 4.487 4.170 0.001 0.000 0.287 5 I C -1.590 174.527 176.117 -0.000 0.000 1.054 5 I CA -2.692 58.587 61.300 -0.035 0.000 1.218 5 I CB 0.571 38.495 38.000 -0.126 0.000 1.398 5 I HN 0.578 nan 8.210 nan 0.000 0.475 6 P HA 0.304 nan 4.420 nan 0.000 0.277 6 P C -0.660 176.637 177.300 -0.006 0.000 1.240 6 P CA -0.567 62.537 63.100 0.007 0.000 0.798 6 P CB 1.763 33.455 31.700 -0.012 0.000 0.979 7 K N 0.594 121.004 120.400 0.017 0.000 2.513 7 K HA 0.399 4.720 4.320 0.001 0.000 0.251 7 K C -1.028 175.537 176.600 -0.058 0.000 0.939 7 K CA -0.561 55.685 56.287 -0.068 0.000 0.793 7 K CB 1.798 34.257 32.500 -0.069 0.000 1.241 7 K HN 0.361 nan 8.250 nan 0.000 0.431 8 S N 3.014 118.611 115.700 -0.171 0.000 2.508 8 S HA 0.475 4.945 4.470 0.001 0.000 0.284 8 S C -0.469 173.942 174.600 -0.315 0.000 1.192 8 S CA -0.498 57.635 58.200 -0.112 0.000 1.070 8 S CB 0.286 63.428 63.200 -0.098 0.000 1.004 8 S HN 0.515 nan 8.310 nan 0.000 0.493 9 F N 2.781 122.703 119.950 -0.046 0.000 2.735 9 F HA 0.384 4.911 4.527 0.001 0.000 0.304 9 F C 1.629 177.318 175.800 -0.185 0.000 1.119 9 F CA 0.037 57.998 58.000 -0.065 0.000 1.280 9 F CB 0.557 39.560 39.000 0.005 0.000 0.994 9 F HN 0.906 nan 8.300 nan 0.000 0.520 10 G N -0.574 108.167 108.800 -0.099 0.000 2.136 10 G HA2 -0.325 3.636 3.960 0.001 0.000 0.242 10 G HA3 -0.325 3.636 3.960 0.001 0.000 0.242 10 G C -0.016 174.637 174.900 -0.412 0.000 0.989 10 G CA -0.159 44.789 45.100 -0.253 0.000 0.682 10 G HN 0.381 nan 8.290 nan 0.000 0.522 11 Y N 0.211 120.554 120.300 0.071 0.000 2.534 11 Y HA 0.470 5.021 4.550 0.001 0.000 0.338 11 Y C 2.166 178.092 175.900 0.045 0.000 1.279 11 Y CA 0.072 58.208 58.100 0.060 0.000 1.436 11 Y CB 0.629 39.131 38.460 0.070 0.000 1.573 11 Y HN 0.216 nan 8.280 nan 0.000 0.567 12 S N -1.331 114.506 115.700 0.227 0.000 2.474 12 S HA -0.021 4.450 4.470 0.001 0.000 0.235 12 S C 0.678 175.318 174.600 0.067 0.000 0.997 12 S CA 0.880 59.139 58.200 0.099 0.000 0.949 12 S CB -0.162 63.079 63.200 0.068 0.000 0.766 12 S HN 0.469 nan 8.310 nan 0.000 0.517 13 S N -0.461 115.329 115.700 0.150 0.000 2.840 13 S HA 0.669 5.140 4.470 0.001 0.000 0.307 13 S C -0.706 173.986 174.600 0.154 0.000 1.180 13 S CA -0.296 57.974 58.200 0.117 0.000 0.846 13 S CB 1.089 64.415 63.200 0.209 0.000 1.233 13 S HN 0.750 nan 8.310 nan 0.000 0.548 14 V N 1.061 121.056 119.914 0.135 0.000 2.837 14 V HA 0.897 5.018 4.120 0.001 0.000 0.310 14 V C 0.324 176.538 176.094 0.200 0.000 1.059 14 V CA -0.397 61.986 62.300 0.138 0.000 1.004 14 V CB 0.872 32.735 31.823 0.067 0.000 1.045 14 V HN 0.905 nan 8.190 nan 0.000 0.465 15 V N -0.039 120.000 119.914 0.208 0.000 2.973 15 V HA 0.648 4.768 4.120 0.001 0.000 0.314 15 V C 0.116 176.338 176.094 0.213 0.000 1.066 15 V CA -0.544 61.896 62.300 0.234 0.000 1.021 15 V CB 1.121 33.066 31.823 0.203 0.000 1.076 15 V HN 1.078 nan 8.190 nan 0.000 0.462 16 c N 2.555 121.301 118.600 0.243 0.000 2.303 16 c HA 0.678 5.249 4.570 0.001 0.000 0.326 16 c C 0.224 174.403 174.090 0.149 0.000 1.285 16 c CA -0.577 55.858 56.329 0.176 0.000 1.675 16 c CB 0.368 42.998 42.510 0.201 0.000 2.289 16 c HN 0.764 nan 8.230 nan 0.000 0.512 17 V N 3.365 123.347 119.914 0.113 0.000 2.383 17 V HA 0.371 4.491 4.120 0.001 0.000 0.275 17 V C 0.183 176.195 176.094 -0.137 0.000 1.036 17 V CA -0.147 62.202 62.300 0.081 0.000 0.889 17 V CB 0.631 32.536 31.823 0.137 0.000 0.985 17 V HN 1.064 nan 8.190 nan 0.000 0.459 18 c N 5.343 123.651 118.600 -0.486 0.000 2.529 18 c HA 0.813 5.384 4.570 0.001 0.000 0.329 18 c C 0.326 174.000 174.090 -0.693 0.000 1.194 18 c CA -0.700 55.194 56.329 -0.724 0.000 1.779 18 c CB 1.432 43.001 42.510 -1.568 0.000 2.322 18 c HN 1.075 nan 8.230 nan 0.000 0.500 19 N N 0.428 118.913 118.700 -0.359 0.000 3.600 19 N HA 0.547 5.287 4.740 0.001 0.000 0.348 19 N C 0.377 175.882 175.510 -0.009 0.000 1.649 19 N CA -0.103 52.852 53.050 -0.158 0.000 0.710 19 N CB -0.051 38.386 38.487 -0.083 0.000 2.380 19 N HN 0.483 nan 8.380 nan 0.000 0.631 20 A N -1.122 121.716 122.820 0.029 0.000 2.014 20 A HA 0.020 4.340 4.320 0.001 0.000 0.218 20 A C 1.572 179.187 177.584 0.051 0.000 1.163 20 A CA 2.296 54.367 52.037 0.057 0.000 0.652 20 A CB -1.169 17.855 19.000 0.040 0.000 0.808 20 A HN 0.865 nan 8.150 nan 0.000 0.449 21 T N -6.059 108.525 114.554 0.050 0.000 3.003 21 T HA 0.350 4.701 4.350 0.001 0.000 0.261 21 T C -0.116 174.644 174.700 0.100 0.000 1.003 21 T CA -0.151 61.986 62.100 0.061 0.000 0.917 21 T CB -0.115 68.787 68.868 0.056 0.000 1.084 21 T HN 0.283 nan 8.240 nan 0.000 0.522 22 Y N 0.031 120.296 120.300 -0.058 0.000 2.470 22 Y HA 0.598 5.148 4.550 0.001 0.000 0.341 22 Y C -1.491 174.333 175.900 -0.127 0.000 1.021 22 Y CA -1.371 56.684 58.100 -0.076 0.000 1.025 22 Y CB 1.986 40.397 38.460 -0.080 0.000 1.266 22 Y HN 0.313 nan 8.280 nan 0.000 0.448 23 c N 6.279 124.629 118.600 -0.416 0.000 3.082 23 c HA 0.357 4.928 4.570 0.001 0.000 0.324 23 c C -1.422 172.394 174.090 -0.457 0.000 1.210 23 c CA -0.855 55.309 56.329 -0.275 0.000 1.366 23 c CB 0.810 43.243 42.510 -0.129 0.000 1.756 23 c HN 0.933 nan 8.230 nan 0.000 0.485 24 D N 3.152 123.426 120.400 -0.210 0.000 2.443 24 D HA 0.394 5.034 4.640 0.001 0.000 0.239 24 D C -0.034 176.132 176.300 -0.222 0.000 1.136 24 D CA 0.366 54.253 54.000 -0.188 0.000 0.879 24 D CB 1.050 41.824 40.800 -0.044 0.000 1.195 24 D HN 0.794 nan 8.370 nan 0.000 0.443 25 S N -0.143 115.390 115.700 -0.278 0.000 2.705 25 S HA 0.684 5.155 4.470 0.001 0.000 0.280 25 S C -0.946 173.415 174.600 -0.400 0.000 1.174 25 S CA -1.047 56.999 58.200 -0.258 0.000 0.823 25 S CB 0.871 64.005 63.200 -0.110 0.000 1.162 25 S HN 0.376 nan 8.310 nan 0.000 0.487 26 F N 1.019 120.987 119.950 0.030 0.000 2.483 26 F HA 0.515 5.042 4.527 0.001 0.000 0.329 26 F C 0.683 176.496 175.800 0.022 0.000 1.064 26 F CA -0.655 57.372 58.000 0.044 0.000 0.986 26 F CB 0.827 39.850 39.000 0.040 0.000 1.218 26 F HN 0.482 nan 8.300 nan 0.000 0.484 27 D N 1.790 122.324 120.400 0.223 0.000 2.357 27 D HA 0.188 4.829 4.640 0.001 0.000 0.242 27 D C -2.290 174.079 176.300 0.115 0.000 1.153 27 D CA -1.134 52.937 54.000 0.119 0.000 0.918 27 D CB 0.331 41.176 40.800 0.074 0.000 1.181 27 D HN 0.079 nan 8.370 nan 0.000 0.435 28 P HA 0.102 nan 4.420 nan 0.000 0.265 28 P C -2.362 174.942 177.300 0.005 0.000 1.187 28 P CA -0.719 62.407 63.100 0.043 0.000 0.766 28 P CB -0.320 31.401 31.700 0.035 0.000 0.820 29 P HA 0.245 nan 4.420 nan 0.000 0.279 29 P C -0.928 176.206 177.300 -0.276 0.000 1.239 29 P CA 0.032 63.046 63.100 -0.144 0.000 0.789 29 P CB 0.839 32.553 31.700 0.024 0.000 0.933 30 T N 2.272 116.405 114.554 -0.701 0.000 3.105 30 T HA 0.541 4.892 4.350 0.001 0.000 0.321 30 T C -1.198 173.050 174.700 -0.754 0.000 1.135 30 T CA -0.112 61.715 62.100 -0.456 0.000 1.053 30 T CB 0.449 69.187 68.868 -0.217 0.000 1.133 30 T HN 0.126 nan 8.240 nan 0.000 0.463 31 F N 3.386 123.363 119.950 0.045 0.000 2.547 31 F HA 0.590 5.117 4.527 0.001 0.000 0.316 31 F C -1.956 173.760 175.800 -0.140 0.000 1.121 31 F CA -1.939 56.034 58.000 -0.045 0.000 0.911 31 F CB 1.417 40.391 39.000 -0.043 0.000 1.179 31 F HN 0.300 nan 8.300 nan 0.000 0.443 32 P HA 0.417 nan 4.420 nan 0.000 0.276 32 P C -0.604 176.633 177.300 -0.105 0.000 1.261 32 P CA -0.443 62.623 63.100 -0.057 0.000 0.800 32 P CB 0.852 32.516 31.700 -0.059 0.000 1.066 33 A N 1.103 123.936 122.820 0.022 0.000 2.536 33 A HA 0.063 4.384 4.320 0.001 0.000 0.234 33 A C 0.410 178.063 177.584 0.114 0.000 1.076 33 A CA -0.301 51.803 52.037 0.112 0.000 0.769 33 A CB -0.609 18.440 19.000 0.082 0.000 1.020 33 A HN 0.659 nan 8.150 nan 0.000 0.508 34 L N 1.379 122.718 121.223 0.193 0.000 2.559 34 L HA 0.389 4.730 4.340 0.001 0.000 0.282 34 L C 1.319 178.250 176.870 0.101 0.000 1.232 34 L CA 2.236 57.180 54.840 0.173 0.000 0.885 34 L CB 0.088 42.238 42.059 0.153 0.000 1.131 34 L HN 1.688 nan 8.230 nan 0.000 0.498 35 G N 2.046 110.897 108.800 0.086 0.000 2.218 35 G HA2 -0.212 3.749 3.960 0.001 0.000 0.216 35 G HA3 -0.212 3.749 3.960 0.001 0.000 0.216 35 G C 0.362 175.283 174.900 0.035 0.000 0.994 35 G CA 0.086 45.211 45.100 0.043 0.000 0.637 35 G HN 0.872 nan 8.290 nan 0.000 0.505 36 T N 1.233 115.811 114.554 0.039 0.000 2.863 36 T HA 0.672 5.022 4.350 0.001 0.000 0.285 36 T C -0.476 174.275 174.700 0.085 0.000 1.009 36 T CA -0.037 62.055 62.100 -0.014 0.000 0.989 36 T CB 1.783 70.605 68.868 -0.077 0.000 1.004 36 T HN 0.911 nan 8.240 nan 0.000 0.455 37 F N -0.353 119.608 119.950 0.019 0.000 2.575 37 F HA 0.897 5.425 4.527 0.001 0.000 0.330 37 F C -0.264 175.588 175.800 0.086 0.000 1.056 37 F CA -1.095 56.970 58.000 0.107 0.000 0.964 37 F CB 1.190 40.238 39.000 0.080 0.000 1.258 37 F HN 0.354 nan 8.300 nan 0.000 0.484 38 S N 1.167 117.074 115.700 0.345 0.000 2.501 38 S HA 0.617 5.087 4.470 0.001 0.000 0.301 38 S C -1.000 173.740 174.600 0.233 0.000 1.096 38 S CA -0.838 57.444 58.200 0.136 0.000 1.063 38 S CB 1.484 64.794 63.200 0.184 0.000 1.042 38 S HN 0.769 nan 8.310 nan 0.000 0.494 39 R N 2.105 122.571 120.500 -0.056 0.000 2.513 39 R HA 0.430 4.770 4.340 0.001 0.000 0.301 39 R C -1.982 174.040 176.300 -0.464 0.000 0.968 39 R CA -0.475 55.439 56.100 -0.311 0.000 0.872 39 R CB 0.759 30.887 30.300 -0.285 0.000 1.177 39 R HN 0.630 nan 8.270 nan 0.000 0.444 40 Y N 2.120 122.216 120.300 -0.340 0.000 2.331 40 Y HA 0.268 4.818 4.550 0.001 0.000 0.338 40 Y C 0.025 175.891 175.900 -0.058 0.000 0.992 40 Y CA -0.400 57.596 58.100 -0.173 0.000 1.121 40 Y CB 1.734 40.063 38.460 -0.220 0.000 1.184 40 Y HN 0.559 nan 8.280 nan 0.000 0.469 41 E N 2.019 122.303 120.200 0.140 0.000 2.210 41 E HA 0.649 5.000 4.350 0.001 0.000 0.266 41 E C -1.420 175.384 176.600 0.340 0.000 0.883 41 E CA -0.614 55.917 56.400 0.218 0.000 0.761 41 E CB 1.252 30.975 29.700 0.038 0.000 1.156 41 E HN 0.552 nan 8.360 nan 0.000 0.412 42 S N 2.126 118.053 115.700 0.378 0.000 2.521 42 S HA 0.548 5.018 4.470 0.001 0.000 0.295 42 S C -0.908 173.877 174.600 0.308 0.000 1.098 42 S CA -0.745 57.673 58.200 0.362 0.000 0.999 42 S CB 1.749 65.243 63.200 0.491 0.000 1.034 42 S HN 0.652 nan 8.310 nan 0.000 0.483 43 T N -0.614 113.986 114.554 0.075 0.000 2.907 43 T HA 0.489 4.839 4.350 0.001 0.000 0.292 43 T C 0.838 175.004 174.700 -0.891 0.000 1.043 43 T CA -0.969 60.986 62.100 -0.242 0.000 1.003 43 T CB 1.650 70.446 68.868 -0.120 0.000 1.084 43 T HN 0.434 nan 8.240 nan 0.000 0.483 44 R N 0.966 120.623 120.500 -1.404 0.000 2.127 44 R HA -0.120 4.221 4.340 0.001 0.000 0.238 44 R C 2.113 178.043 176.300 -0.618 0.000 1.134 44 R CA 2.048 57.203 56.100 -1.575 0.000 0.975 44 R CB -0.710 28.784 30.300 -1.343 0.000 0.865 44 R HN 0.847 nan 8.270 nan 0.000 0.447 45 S N -1.752 113.719 115.700 -0.382 0.000 2.555 45 S HA 0.056 4.527 4.470 0.001 0.000 0.230 45 S C 1.261 175.773 174.600 -0.147 0.000 0.978 45 S CA 0.776 58.856 58.200 -0.200 0.000 0.934 45 S CB 0.528 63.651 63.200 -0.127 0.000 0.766 45 S HN 0.550 nan 8.310 nan 0.000 0.533 46 G N 0.602 109.304 108.800 -0.164 0.000 2.425 46 G HA2 -0.123 3.837 3.960 0.001 0.000 0.177 46 G HA3 -0.123 3.837 3.960 0.001 0.000 0.177 46 G C 0.000 174.864 174.900 -0.061 0.000 0.999 46 G CA -0.778 44.270 45.100 -0.087 0.000 0.723 46 G HN 0.449 nan 8.290 nan 0.000 0.491 47 R N 0.763 121.233 120.500 -0.051 0.000 2.442 47 R HA 0.510 4.851 4.340 0.001 0.000 0.291 47 R C -0.273 176.042 176.300 0.025 0.000 1.069 47 R CA -0.015 56.082 56.100 -0.005 0.000 1.022 47 R CB 0.433 30.747 30.300 0.024 0.000 0.976 47 R HN -0.020 nan 8.270 nan 0.000 0.443 48 R N 4.096 124.594 120.500 -0.004 0.000 2.412 48 R HA 0.184 4.524 4.340 0.001 0.000 0.304 48 R C 0.066 176.429 176.300 0.105 0.000 1.066 48 R CA -0.513 55.540 56.100 -0.078 0.000 0.923 48 R CB 1.168 31.224 30.300 -0.407 0.000 1.156 48 R HN 0.797 nan 8.270 nan 0.000 0.513 49 M N 0.631 120.413 119.600 0.305 0.000 2.253 49 M HA -0.263 4.218 4.480 0.001 0.000 0.199 49 M C -0.467 176.090 176.300 0.428 0.000 0.342 49 M CA 1.280 56.837 55.300 0.429 0.000 0.417 49 M CB -1.315 31.646 32.600 0.602 0.000 1.338 49 M HN 0.436 nan 8.290 nan 0.000 0.920 50 E N 0.967 121.305 120.200 0.230 0.000 2.360 50 E HA 0.352 4.702 4.350 0.001 0.000 0.269 50 E C -0.277 176.303 176.600 -0.032 0.000 1.022 50 E CA -0.466 55.996 56.400 0.103 0.000 0.887 50 E CB 1.043 30.768 29.700 0.041 0.000 0.990 50 E HN 0.276 nan 8.360 nan 0.000 0.426 51 L N 2.916 124.057 121.223 -0.137 0.000 2.307 51 L HA 0.344 4.685 4.340 0.001 0.000 0.282 51 L C -0.538 176.168 176.870 -0.273 0.000 1.051 51 L CA 0.207 54.797 54.840 -0.416 0.000 0.804 51 L CB 1.188 42.946 42.059 -0.501 0.000 1.197 51 L HN 0.571 nan 8.230 nan 0.000 0.431 52 S N 4.472 119.989 115.700 -0.305 0.000 2.607 52 S HA 0.826 5.297 4.470 0.001 0.000 0.273 52 S C -0.806 173.623 174.600 -0.285 0.000 1.148 52 S CA -1.017 57.047 58.200 -0.227 0.000 0.833 52 S CB 1.430 64.542 63.200 -0.147 0.000 1.130 52 S HN 0.627 nan 8.310 nan 0.000 0.470 53 M N 0.842 120.247 119.600 -0.325 0.000 2.591 53 M HA 0.771 5.251 4.480 0.001 0.000 0.306 53 M C 0.146 176.036 176.300 -0.683 0.000 1.190 53 M CA -0.455 54.529 55.300 -0.528 0.000 0.889 53 M CB 2.590 34.975 32.600 -0.358 0.000 1.728 53 M HN 1.095 nan 8.290 nan 0.000 0.458 54 G N 0.878 108.907 108.800 -1.286 0.000 2.749 54 G HA2 0.802 4.763 3.960 0.001 0.000 0.300 54 G HA3 0.802 4.763 3.960 0.001 0.000 0.300 54 G C -3.332 171.242 174.900 -0.543 0.000 1.352 54 G CA -0.953 43.667 45.100 -0.799 0.000 0.789 54 G HN 0.363 nan 8.290 nan 0.000 0.509 55 P HA 0.500 nan 4.420 nan 0.000 0.281 55 P C -0.735 176.705 177.300 0.233 0.000 1.249 55 P CA -0.369 62.769 63.100 0.063 0.000 0.810 55 P CB 1.824 33.551 31.700 0.044 0.000 1.008 56 I N 2.185 122.825 120.570 0.117 0.000 2.354 56 I HA 0.270 4.441 4.170 0.001 0.000 0.286 56 I C 0.548 176.667 176.117 0.003 0.000 1.007 56 I CA -0.483 60.814 61.300 -0.004 0.000 1.167 56 I CB 1.187 39.091 38.000 -0.160 0.000 1.320 56 I HN 0.237 nan 8.210 nan 0.000 0.458 57 Q N 3.367 123.193 119.800 0.043 0.000 2.195 57 Q HA 0.590 4.931 4.340 0.001 0.000 0.250 57 Q C 0.797 176.884 176.000 0.147 0.000 0.988 57 Q CA -0.601 55.250 55.803 0.081 0.000 0.911 57 Q CB 1.980 30.770 28.738 0.087 0.000 1.258 57 Q HN 0.762 nan 8.270 nan 0.000 0.475 58 A N 1.301 124.199 122.820 0.130 0.000 1.975 58 A HA 0.003 4.324 4.320 0.001 0.000 0.215 58 A C 0.079 177.799 177.584 0.227 0.000 1.170 58 A CA 0.667 52.809 52.037 0.175 0.000 0.656 58 A CB -0.301 18.759 19.000 0.099 0.000 0.821 58 A HN 0.775 nan 8.150 nan 0.000 0.449 59 N N -0.261 118.503 118.700 0.107 0.000 2.455 59 N HA 0.323 5.064 4.740 0.001 0.000 0.280 59 N C -0.663 174.767 175.510 -0.133 0.000 1.055 59 N CA -0.276 52.765 53.050 -0.015 0.000 0.961 59 N CB 0.716 39.194 38.487 -0.014 0.000 1.121 59 N HN 0.475 nan 8.380 nan 0.000 0.476 60 H N 1.220 119.956 119.070 -0.556 0.000 2.741 60 H HA 0.083 4.640 4.556 0.001 0.000 0.282 60 H C 0.735 175.851 175.328 -0.353 0.000 1.122 60 H CA -0.509 55.090 56.048 -0.748 0.000 1.293 60 H CB 0.663 29.705 29.762 -1.201 0.000 1.415 60 H HN 0.765 nan 8.280 nan 0.000 0.472 61 T N 0.675 115.216 114.554 -0.022 0.000 3.057 61 T HA 0.134 4.484 4.350 0.001 0.000 0.254 61 T C 1.202 175.843 174.700 -0.098 0.000 1.094 61 T CA 0.092 62.144 62.100 -0.081 0.000 1.088 61 T CB 0.200 69.045 68.868 -0.037 0.000 0.934 61 T HN 0.521 nan 8.240 nan 0.000 0.497 62 G N 1.232 110.043 108.800 0.018 0.000 2.441 62 G HA2 0.404 4.365 3.960 0.001 0.000 0.243 62 G HA3 0.404 4.365 3.960 0.001 0.000 0.243 62 G C 0.690 175.475 174.900 -0.192 0.000 1.281 62 G CA 0.181 45.283 45.100 0.004 0.000 0.854 62 G HN 0.438 nan 8.290 nan 0.000 0.560 63 T N -0.504 113.986 114.554 -0.106 0.000 3.043 63 T HA 0.407 4.758 4.350 0.001 0.000 0.272 63 T C 1.150 175.821 174.700 -0.048 0.000 0.990 63 T CA 0.361 62.388 62.100 -0.122 0.000 0.897 63 T CB 0.665 69.468 68.868 -0.110 0.000 1.111 63 T HN 0.703 nan 8.240 nan 0.000 0.529 64 G N 1.736 110.532 108.800 -0.007 0.000 2.630 64 G HA2 0.560 4.520 3.960 0.001 0.000 0.223 64 G HA3 0.560 4.520 3.960 0.001 0.000 0.223 64 G C -0.403 174.516 174.900 0.032 0.000 1.434 64 G CA -1.046 44.059 45.100 0.010 0.000 1.057 64 G HN 0.437 nan 8.290 nan 0.000 0.570 65 L N -0.222 121.017 121.223 0.027 0.000 2.601 65 L HA 0.340 4.681 4.340 0.001 0.000 0.277 65 L C -0.362 176.536 176.870 0.047 0.000 1.219 65 L CA -0.111 54.749 54.840 0.032 0.000 0.915 65 L CB 0.384 42.455 42.059 0.019 0.000 1.160 65 L HN 0.275 nan 8.230 nan 0.000 0.494 66 L N 6.555 127.814 121.223 0.060 0.000 2.307 66 L HA 0.565 4.906 4.340 0.001 0.000 0.284 66 L C -1.121 175.764 176.870 0.025 0.000 1.023 66 L CA -0.177 54.698 54.840 0.058 0.000 0.810 66 L CB 1.318 43.449 42.059 0.121 0.000 1.231 66 L HN 0.586 nan 8.230 nan 0.000 0.423 67 L N 4.824 126.041 121.223 -0.009 0.000 2.319 67 L HA 0.545 4.885 4.340 0.001 0.000 0.281 67 L C -0.409 176.447 176.870 -0.023 0.000 1.005 67 L CA -0.425 54.410 54.840 -0.009 0.000 0.828 67 L CB 1.767 43.817 42.059 -0.015 0.000 1.227 67 L HN 0.560 nan 8.230 nan 0.000 0.415 68 T N 3.924 118.477 114.554 -0.002 0.000 2.758 68 T HA 0.335 4.686 4.350 0.001 0.000 0.285 68 T C 0.080 174.791 174.700 0.018 0.000 0.981 68 T CA -0.505 61.586 62.100 -0.015 0.000 0.965 68 T CB 1.548 70.411 68.868 -0.009 0.000 0.927 68 T HN 0.316 nan 8.240 nan 0.000 0.448 69 L N 3.495 124.740 121.223 0.037 0.000 2.514 69 L HA 0.097 4.438 4.340 0.001 0.000 0.280 69 L C 0.065 176.959 176.870 0.040 0.000 1.223 69 L CA 0.578 55.460 54.840 0.071 0.000 0.864 69 L CB 0.508 42.649 42.059 0.137 0.000 1.118 69 L HN 0.664 nan 8.230 nan 0.000 0.494 70 Q N 5.624 125.450 119.800 0.044 0.000 3.300 70 Q HA 0.229 4.569 4.340 0.001 0.000 0.271 70 Q C -1.784 174.225 176.000 0.016 0.000 0.926 70 Q CA -1.460 54.361 55.803 0.030 0.000 0.788 70 Q CB 1.331 30.096 28.738 0.045 0.000 1.385 70 Q HN 0.488 nan 8.270 nan 0.000 0.424 71 P HA -0.154 nan 4.420 nan 0.000 0.221 71 P C 0.632 177.910 177.300 -0.038 0.000 1.145 71 P CA 1.145 64.237 63.100 -0.014 0.000 0.795 71 P CB 0.594 32.286 31.700 -0.013 0.000 0.775 72 E N -0.507 119.669 120.200 -0.040 0.000 2.435 72 E HA -0.018 4.333 4.350 0.001 0.000 0.195 72 E C 0.993 177.528 176.600 -0.108 0.000 1.029 72 E CA 0.299 56.663 56.400 -0.059 0.000 0.865 72 E CB -0.071 29.606 29.700 -0.039 0.000 0.833 72 E HN 0.456 nan 8.360 nan 0.000 0.510 73 Q N 1.476 121.198 119.800 -0.129 0.000 2.377 73 Q HA 0.160 4.500 4.340 0.001 0.000 0.249 73 Q C -0.784 174.907 176.000 -0.516 0.000 1.005 73 Q CA 0.058 55.701 55.803 -0.266 0.000 0.912 73 Q CB 0.462 29.144 28.738 -0.092 0.000 1.223 73 Q HN -0.134 nan 8.270 nan 0.000 0.459 74 K N 3.559 123.536 120.400 -0.705 0.000 2.345 74 K HA 0.424 4.744 4.320 0.001 0.000 0.255 74 K C -0.991 175.198 176.600 -0.684 0.000 0.934 74 K CA -0.322 55.661 56.287 -0.507 0.000 0.801 74 K CB 1.399 33.767 32.500 -0.221 0.000 1.137 74 K HN 0.374 nan 8.250 nan 0.000 0.424 75 F N 0.398 120.371 119.950 0.037 0.000 3.036 75 F HA 0.192 4.720 4.527 0.001 0.000 0.274 75 F C 0.795 176.635 175.800 0.066 0.000 1.474 75 F CA -0.789 57.245 58.000 0.057 0.000 0.987 75 F CB 0.080 39.099 39.000 0.031 0.000 1.877 75 F HN 0.370 nan 8.300 nan 0.000 0.421 76 Q N 2.329 122.314 119.800 0.309 0.000 2.394 76 Q HA 0.223 4.563 4.340 0.001 0.000 0.248 76 Q C -1.319 174.768 176.000 0.144 0.000 0.992 76 Q CA -0.090 55.831 55.803 0.196 0.000 0.888 76 Q CB 0.967 29.811 28.738 0.177 0.000 1.257 76 Q HN 0.504 nan 8.270 nan 0.000 0.462 77 K N 1.095 121.564 120.400 0.116 0.000 2.098 77 K HA 0.440 4.761 4.320 0.001 0.000 0.261 77 K C -0.615 176.030 176.600 0.075 0.000 0.987 77 K CA -0.802 55.536 56.287 0.086 0.000 0.916 77 K CB 1.655 34.197 32.500 0.071 0.000 1.039 77 K HN 0.414 nan 8.250 nan 0.000 0.455 78 V N 3.141 123.085 119.914 0.050 0.000 2.465 78 V HA 0.042 4.163 4.120 0.001 0.000 0.279 78 V C 1.071 177.148 176.094 -0.028 0.000 1.045 78 V CA -0.189 62.117 62.300 0.010 0.000 0.938 78 V CB 1.339 33.185 31.823 0.039 0.000 0.986 78 V HN 0.741 nan 8.190 nan 0.000 0.467 79 K N 3.410 123.773 120.400 -0.062 0.000 2.099 79 K HA 0.390 4.710 4.320 0.001 0.000 0.203 79 K C 0.641 177.128 176.600 -0.188 0.000 1.047 79 K CA 1.429 57.634 56.287 -0.137 0.000 0.963 79 K CB -0.008 32.419 32.500 -0.122 0.000 0.759 79 K HN 0.999 nan 8.250 nan 0.000 0.451 80 G N -1.894 106.753 108.800 -0.255 0.000 2.343 80 G HA2 0.294 4.254 3.960 0.001 0.000 0.289 80 G HA3 0.294 4.254 3.960 0.001 0.000 0.289 80 G C -1.628 172.913 174.900 -0.598 0.000 1.295 80 G CA -0.914 44.028 45.100 -0.263 0.000 0.869 80 G HN 0.000 nan 8.290 nan 0.000 0.522 81 F N -0.086 119.814 119.950 -0.083 0.000 2.569 81 F HA 0.827 5.354 4.527 0.001 0.000 0.312 81 F C 0.767 176.295 175.800 -0.454 0.000 1.109 81 F CA 0.493 58.386 58.000 -0.179 0.000 0.919 81 F CB 2.500 41.430 39.000 -0.116 0.000 1.211 81 F HN 1.141 nan 8.300 nan 0.000 0.446 82 G N 0.256 108.746 108.800 -0.517 0.000 2.500 82 G HA2 0.632 4.593 3.960 0.001 0.000 0.299 82 G HA3 0.632 4.593 3.960 0.001 0.000 0.299 82 G C -1.237 173.254 174.900 -0.681 0.000 1.242 82 G CA -0.066 44.372 45.100 -1.102 0.000 0.859 82 G HN 1.012 nan 8.290 nan 0.000 0.481 83 G N -1.627 107.010 108.800 -0.271 0.000 2.870 83 G HA2 0.767 4.727 3.960 0.001 0.000 0.299 83 G HA3 0.767 4.727 3.960 0.001 0.000 0.299 83 G C -1.150 173.813 174.900 0.106 0.000 1.324 83 G CA 0.403 45.499 45.100 -0.005 0.000 0.808 83 G HN 1.680 nan 8.290 nan 0.000 0.535 84 A N -0.253 122.655 122.820 0.145 0.000 2.276 84 A HA 0.614 4.935 4.320 0.001 0.000 0.316 84 A C -0.127 177.493 177.584 0.060 0.000 1.229 84 A CA -0.561 51.587 52.037 0.186 0.000 0.851 84 A CB 1.085 20.316 19.000 0.385 0.000 1.165 84 A HN 0.634 nan 8.150 nan 0.000 0.513 85 M N 4.244 123.912 119.600 0.114 0.000 3.237 85 M HA 0.178 4.658 4.480 0.001 0.000 0.266 85 M C 0.736 177.070 176.300 0.057 0.000 1.456 85 M CA 0.040 55.389 55.300 0.082 0.000 1.593 85 M CB -0.960 31.714 32.600 0.124 0.000 1.129 85 M HN 0.770 nan 8.290 nan 0.000 0.547 86 T N -1.193 113.320 114.554 -0.068 0.000 2.788 86 T HA 0.297 4.648 4.350 0.001 0.000 0.280 86 T C 0.825 175.504 174.700 -0.035 0.000 0.984 86 T CA -0.745 61.288 62.100 -0.112 0.000 0.972 86 T CB 0.703 69.346 68.868 -0.375 0.000 1.039 86 T HN 0.468 nan 8.240 nan 0.000 0.530 87 D N 0.572 120.975 120.400 0.005 0.000 2.117 87 D HA -0.047 4.594 4.640 0.001 0.000 0.197 87 D C 2.375 178.687 176.300 0.020 0.000 0.987 87 D CA 1.656 55.685 54.000 0.048 0.000 0.829 87 D CB -0.862 39.997 40.800 0.098 0.000 0.961 87 D HN 0.707 nan 8.370 nan 0.000 0.460 88 A N 1.330 124.155 122.820 0.008 0.000 1.865 88 A HA -0.100 4.221 4.320 0.001 0.000 0.217 88 A C 2.366 179.927 177.584 -0.038 0.000 1.191 88 A CA 2.590 54.638 52.037 0.018 0.000 0.623 88 A CB -0.958 18.110 19.000 0.113 0.000 0.826 88 A HN 0.238 nan 8.150 nan 0.000 0.444 89 A N -0.107 122.648 122.820 -0.108 0.000 1.873 89 A HA 0.033 4.354 4.320 0.001 0.000 0.218 89 A C 2.563 180.131 177.584 -0.026 0.000 1.193 89 A CA 2.737 54.726 52.037 -0.080 0.000 0.629 89 A CB -1.246 17.695 19.000 -0.099 0.000 0.826 89 A HN 1.222 nan 8.150 nan 0.000 0.447 90 A N -0.570 122.245 122.820 -0.009 0.000 1.908 90 A HA -0.076 4.244 4.320 0.001 0.000 0.218 90 A C 2.211 179.797 177.584 0.003 0.000 1.181 90 A CA 1.629 53.671 52.037 0.008 0.000 0.627 90 A CB -0.650 18.364 19.000 0.024 0.000 0.818 90 A HN 0.491 nan 8.150 nan 0.000 0.445 91 L N -0.223 121.003 121.223 0.005 0.000 2.046 91 L HA -0.218 4.122 4.340 0.001 0.000 0.208 91 L C 2.474 179.345 176.870 0.002 0.000 1.077 91 L CA 1.323 56.167 54.840 0.007 0.000 0.747 91 L CB -0.605 41.464 42.059 0.016 0.000 0.896 91 L HN 0.429 nan 8.230 nan 0.000 0.432 92 N N 0.305 119.003 118.700 -0.003 0.000 2.058 92 N HA -0.150 4.591 4.740 0.001 0.000 0.191 92 N C 1.954 177.451 175.510 -0.022 0.000 1.037 92 N CA 1.549 54.593 53.050 -0.009 0.000 0.848 92 N CB -0.230 38.249 38.487 -0.014 0.000 1.021 92 N HN 0.301 nan 8.380 nan 0.000 0.422 93 I N 1.330 121.882 120.570 -0.030 0.000 2.208 93 I HA -0.235 3.936 4.170 0.001 0.000 0.245 93 I C 1.855 177.952 176.117 -0.032 0.000 1.097 93 I CA 1.030 62.300 61.300 -0.050 0.000 1.363 93 I CB -0.204 37.776 38.000 -0.034 0.000 1.051 93 I HN 0.040 nan 8.210 nan 0.000 0.413 94 L N 0.276 121.491 121.223 -0.014 0.000 2.554 94 L HA 0.048 4.389 4.340 0.001 0.000 0.226 94 L C 2.198 179.067 176.870 -0.002 0.000 1.137 94 L CA 0.234 55.070 54.840 -0.007 0.000 0.863 94 L CB -0.389 41.668 42.059 -0.003 0.000 0.985 94 L HN 0.165 nan 8.230 nan 0.000 0.451 95 A N -0.286 122.534 122.820 -0.001 0.000 2.278 95 A HA 0.300 4.621 4.320 0.001 0.000 0.212 95 A C 0.751 178.340 177.584 0.009 0.000 1.213 95 A CA -0.003 52.037 52.037 0.006 0.000 0.840 95 A CB -0.198 18.807 19.000 0.009 0.000 0.866 95 A HN 0.238 nan 8.150 nan 0.000 0.489 96 L N 0.479 121.706 121.223 0.006 0.000 2.375 96 L HA 0.345 4.685 4.340 0.001 0.000 0.268 96 L C 0.990 177.871 176.870 0.018 0.000 1.058 96 L CA -0.685 54.166 54.840 0.019 0.000 0.803 96 L CB 1.711 43.781 42.059 0.020 0.000 1.212 96 L HN 0.338 nan 8.230 nan 0.000 0.451 97 S N 0.848 116.564 115.700 0.027 0.000 2.579 97 S HA 0.157 4.628 4.470 0.001 0.000 0.275 97 S C -1.951 172.663 174.600 0.024 0.000 1.345 97 S CA -0.915 57.299 58.200 0.024 0.000 1.031 97 S CB 0.853 64.068 63.200 0.026 0.000 0.892 97 S HN 0.407 nan 8.310 nan 0.000 0.529 98 P HA -0.082 nan 4.420 nan 0.000 0.216 98 P C -1.493 175.822 177.300 0.025 0.000 1.157 98 P CA 1.583 64.693 63.100 0.016 0.000 0.880 98 P CB -1.142 30.566 31.700 0.013 0.000 0.791 99 P HA -0.136 nan 4.420 nan 0.000 0.216 99 P C 1.336 178.677 177.300 0.067 0.000 1.150 99 P CA 1.923 65.048 63.100 0.041 0.000 0.837 99 P CB -0.629 31.093 31.700 0.038 0.000 0.786 100 A N -0.398 122.474 122.820 0.085 0.000 1.968 100 A HA -0.195 4.125 4.320 0.001 0.000 0.217 100 A C 2.206 179.840 177.584 0.084 0.000 1.169 100 A CA 1.171 53.310 52.037 0.171 0.000 0.638 100 A CB -1.129 17.990 19.000 0.199 0.000 0.812 100 A HN 0.178 nan 8.150 nan 0.000 0.446 101 Q N 0.048 119.853 119.800 0.008 0.000 2.096 101 Q HA -0.185 4.155 4.340 0.001 0.000 0.204 101 Q C 1.670 177.644 176.000 -0.043 0.000 0.982 101 Q CA 1.505 57.276 55.803 -0.053 0.000 0.850 101 Q CB -0.283 28.441 28.738 -0.023 0.000 0.901 101 Q HN 0.603 nan 8.270 nan 0.000 0.422 102 N N 0.648 119.351 118.700 0.006 0.000 2.188 102 N HA -0.085 4.655 4.740 0.001 0.000 0.184 102 N C 1.836 177.366 175.510 0.033 0.000 1.018 102 N CA 0.937 54.000 53.050 0.022 0.000 0.858 102 N CB -0.148 38.357 38.487 0.030 0.000 0.989 102 N HN 0.234 nan 8.380 nan 0.000 0.426 103 L N 0.498 121.760 121.223 0.065 0.000 2.141 103 L HA -0.067 4.274 4.340 0.001 0.000 0.209 103 L C 2.346 179.254 176.870 0.065 0.000 1.094 103 L CA 0.512 55.427 54.840 0.124 0.000 0.763 103 L CB -0.356 41.840 42.059 0.229 0.000 0.908 103 L HN 0.119 nan 8.230 nan 0.000 0.437 104 L N -0.296 120.768 121.223 -0.266 0.000 2.056 104 L HA -0.205 4.136 4.340 0.001 0.000 0.207 104 L C 2.400 179.147 176.870 -0.206 0.000 1.078 104 L CA 1.370 55.814 54.840 -0.659 0.000 0.749 104 L CB -0.036 41.418 42.059 -1.008 0.000 0.901 104 L HN 0.174 nan 8.230 nan 0.000 0.433 105 L N -0.751 120.464 121.223 -0.013 0.000 2.156 105 L HA -0.164 4.177 4.340 0.001 0.000 0.208 105 L C 2.507 179.535 176.870 0.265 0.000 1.095 105 L CA 1.000 55.977 54.840 0.228 0.000 0.770 105 L CB -0.421 41.749 42.059 0.185 0.000 0.914 105 L HN 0.200 nan 8.230 nan 0.000 0.439 106 K N -0.411 120.066 120.400 0.127 0.000 2.103 106 K HA -0.066 4.254 4.320 0.001 0.000 0.204 106 K C 2.314 178.968 176.600 0.090 0.000 1.052 106 K CA 1.136 57.497 56.287 0.123 0.000 0.945 106 K CB -0.083 32.465 32.500 0.081 0.000 0.722 106 K HN 0.117 nan 8.250 nan 0.000 0.443 107 S N 0.691 116.401 115.700 0.017 0.000 2.368 107 S HA -0.198 4.272 4.470 0.001 0.000 0.226 107 S C 1.850 176.442 174.600 -0.013 0.000 1.044 107 S CA 1.539 59.725 58.200 -0.024 0.000 1.062 107 S CB -0.382 62.650 63.200 -0.280 0.000 0.931 107 S HN 0.342 nan 8.310 nan 0.000 0.440 108 Y N -0.928 119.266 120.300 -0.177 0.000 2.206 108 Y HA 0.040 4.590 4.550 0.001 0.000 0.292 108 Y C 1.828 177.295 175.900 -0.722 0.000 1.123 108 Y CA 0.821 58.486 58.100 -0.726 0.000 1.142 108 Y CB -0.021 37.762 38.460 -1.129 0.000 1.006 108 Y HN 0.218 nan 8.280 nan 0.000 0.518 109 F N -1.286 118.742 119.950 0.129 0.000 2.694 109 F HA 0.098 4.625 4.527 0.001 0.000 0.292 109 F C 1.361 177.208 175.800 0.078 0.000 1.121 109 F CA -0.235 57.837 58.000 0.121 0.000 1.352 109 F CB -0.094 38.979 39.000 0.122 0.000 1.107 109 F HN -0.234 nan 8.300 nan 0.000 0.597 110 S N 0.460 116.284 115.700 0.207 0.000 2.617 110 S HA 0.110 4.580 4.470 0.001 0.000 0.269 110 S C 1.066 175.711 174.600 0.074 0.000 1.292 110 S CA -0.615 57.665 58.200 0.134 0.000 1.010 110 S CB 1.014 64.285 63.200 0.117 0.000 0.944 110 S HN 0.179 nan 8.310 nan 0.000 0.536 111 E N 0.942 121.173 120.200 0.053 0.000 2.418 111 E HA -0.067 4.284 4.350 0.001 0.000 0.197 111 E C 0.859 177.478 176.600 0.032 0.000 1.026 111 E CA 0.687 57.090 56.400 0.004 0.000 0.862 111 E CB -0.162 29.549 29.700 0.018 0.000 0.799 111 E HN 0.718 nan 8.360 nan 0.000 0.518 112 E N 0.206 120.467 120.200 0.102 0.000 2.489 112 E HA 0.077 4.427 4.350 0.001 0.000 0.193 112 E C 0.896 177.678 176.600 0.303 0.000 1.057 112 E CA 0.299 56.811 56.400 0.187 0.000 0.866 112 E CB 0.396 30.165 29.700 0.114 0.000 0.916 112 E HN 0.252 nan 8.360 nan 0.000 0.500 113 G N 0.147 109.074 108.800 0.212 0.000 3.341 113 G HA2 0.346 4.306 3.960 0.001 0.000 0.177 113 G HA3 0.346 4.306 3.960 0.001 0.000 0.177 113 G C 0.565 175.478 174.900 0.021 0.000 1.236 113 G CA -0.194 45.051 45.100 0.242 0.000 0.888 113 G HN 0.202 nan 8.290 nan 0.000 0.644 114 I N -2.450 118.047 120.570 -0.121 0.000 4.025 114 I HA 0.507 4.677 4.170 0.001 0.000 0.336 114 I C 1.118 177.090 176.117 -0.243 0.000 1.390 114 I CA 0.361 61.459 61.300 -0.337 0.000 1.099 114 I CB 0.650 38.350 38.000 -0.499 0.000 1.049 114 I HN 0.832 nan 8.210 nan 0.000 0.394 115 G N 1.633 110.361 108.800 -0.120 0.000 2.295 115 G HA2 -0.313 3.647 3.960 0.001 0.000 0.287 115 G HA3 -0.313 3.647 3.960 0.001 0.000 0.287 115 G C -0.018 174.966 174.900 0.141 0.000 1.055 115 G CA -0.085 45.012 45.100 -0.006 0.000 0.922 115 G HN 0.631 nan 8.290 nan 0.000 0.503 116 Y N 0.080 120.322 120.300 -0.096 0.000 2.788 116 Y HA 0.040 4.591 4.550 0.001 0.000 0.341 116 Y C 1.678 177.657 175.900 0.131 0.000 1.258 116 Y CA 0.699 58.766 58.100 -0.055 0.000 1.503 116 Y CB 0.509 38.729 38.460 -0.399 0.000 1.325 116 Y HN 0.532 nan 8.280 nan 0.000 0.614 117 N N 1.954 120.791 118.700 0.229 0.000 2.073 117 N HA 0.143 4.884 4.740 0.001 0.000 0.227 117 N C -1.100 174.464 175.510 0.089 0.000 1.367 117 N CA 0.115 53.263 53.050 0.164 0.000 0.775 117 N CB 0.016 38.559 38.487 0.093 0.000 1.234 117 N HN 0.523 nan 8.380 nan 0.000 0.512 118 I N 1.515 122.145 120.570 0.102 0.000 2.548 118 I HA 0.443 4.614 4.170 0.001 0.000 0.287 118 I C -1.080 175.130 176.117 0.155 0.000 1.103 118 I CA -0.670 60.687 61.300 0.095 0.000 1.049 118 I CB 2.242 40.289 38.000 0.078 0.000 1.232 118 I HN -0.105 nan 8.210 nan 0.000 0.429 119 I N 5.847 126.536 120.570 0.199 0.000 2.389 119 I HA 0.431 4.602 4.170 0.001 0.000 0.288 119 I C -0.033 176.229 176.117 0.242 0.000 0.999 119 I CA -0.562 60.869 61.300 0.218 0.000 1.129 119 I CB 1.806 39.924 38.000 0.197 0.000 1.288 119 I HN 0.499 nan 8.210 nan 0.000 0.444 120 R N 5.590 126.244 120.500 0.257 0.000 2.357 120 R HA 0.638 4.979 4.340 0.001 0.000 0.296 120 R C -1.467 175.025 176.300 0.321 0.000 1.052 120 R CA -0.347 55.937 56.100 0.307 0.000 0.988 120 R CB 1.177 31.662 30.300 0.308 0.000 1.025 120 R HN 0.468 nan 8.270 nan 0.000 0.469 121 V N 7.303 127.430 119.914 0.355 0.000 2.378 121 V HA 0.359 4.480 4.120 0.001 0.000 0.288 121 V C -2.211 174.061 176.094 0.296 0.000 1.016 121 V CA -2.242 60.265 62.300 0.345 0.000 0.840 121 V CB 1.554 33.647 31.823 0.449 0.000 0.994 121 V HN 0.860 nan 8.190 nan 0.000 0.431 122 P HA 0.244 nan 4.420 nan 0.000 0.268 122 P C -0.430 176.970 177.300 0.167 0.000 1.205 122 P CA -0.058 63.211 63.100 0.280 0.000 0.771 122 P CB 0.412 32.133 31.700 0.036 0.000 0.858 123 M N 3.139 122.762 119.600 0.037 0.000 2.094 123 M HA 0.466 4.947 4.480 0.001 0.000 0.348 123 M C 0.635 176.888 176.300 -0.078 0.000 1.267 123 M CA 0.176 55.453 55.300 -0.038 0.000 1.125 123 M CB -0.176 32.178 32.600 -0.410 0.000 1.527 123 M HN 0.588 nan 8.290 nan 0.000 0.447 124 A N 1.886 124.541 122.820 -0.277 0.000 6.226 124 A HA -0.158 4.162 4.320 0.001 0.000 0.254 124 A C 0.337 177.593 177.584 -0.547 0.000 2.160 124 A CA 0.377 52.018 52.037 -0.661 0.000 0.705 124 A CB -1.735 16.677 19.000 -0.981 0.000 1.036 124 A HN 0.948 nan 8.150 nan 0.000 0.366 125 S N -0.446 114.613 115.700 -1.067 0.000 2.603 125 S HA 0.608 5.079 4.470 0.001 0.000 0.268 125 S C 0.536 174.889 174.600 -0.411 0.000 1.317 125 S CA 0.273 58.018 58.200 -0.758 0.000 1.012 125 S CB 0.558 63.184 63.200 -0.958 0.000 0.926 125 S HN 2.546 nan 8.310 nan 0.000 0.539 126 C N 0.336 119.417 119.300 -0.365 0.000 3.321 126 C HA 0.641 5.101 4.460 0.001 0.000 0.363 126 C C 1.457 176.432 174.990 -0.024 0.000 1.705 126 C CA -0.020 58.709 59.018 -0.482 0.000 1.298 126 C CB 0.662 27.468 27.740 -1.557 0.000 2.086 126 C HN 0.896 nan 8.230 nan 0.000 0.438 127 D N 0.851 121.202 120.400 -0.082 0.000 2.190 127 D HA -0.201 4.439 4.640 0.001 0.000 0.200 127 D C 0.598 176.687 176.300 -0.351 0.000 0.992 127 D CA 1.489 55.289 54.000 -0.334 0.000 0.854 127 D CB -0.526 39.751 40.800 -0.871 0.000 0.936 127 D HN 0.620 nan 8.370 nan 0.000 0.462 128 F N 1.057 120.924 119.950 -0.138 0.000 2.733 128 F HA 0.335 4.863 4.527 0.001 0.000 0.344 128 F C 0.445 176.193 175.800 -0.085 0.000 1.179 128 F CA -0.066 57.833 58.000 -0.169 0.000 1.316 128 F CB 0.071 38.837 39.000 -0.390 0.000 1.577 128 F HN -0.226 nan 8.300 nan 0.000 0.591 129 S N 0.305 116.089 115.700 0.140 0.000 2.618 129 S HA 0.493 4.963 4.470 0.001 0.000 0.277 129 S C 0.608 175.330 174.600 0.203 0.000 1.138 129 S CA -0.728 57.571 58.200 0.166 0.000 0.844 129 S CB 1.724 65.012 63.200 0.146 0.000 1.127 129 S HN 0.379 nan 8.310 nan 0.000 0.474 130 I N -0.546 120.099 120.570 0.126 0.000 3.976 130 I HA 0.477 4.647 4.170 0.001 0.000 0.337 130 I C 0.332 176.456 176.117 0.012 0.000 1.359 130 I CA -0.220 61.138 61.300 0.096 0.000 1.098 130 I CB -0.126 37.907 38.000 0.055 0.000 1.027 130 I HN 0.505 nan 8.210 nan 0.000 0.394 131 R N 0.924 121.374 120.500 -0.084 0.000 2.728 131 R HA 0.413 4.754 4.340 0.001 0.000 0.274 131 R C -1.283 174.827 176.300 -0.317 0.000 1.032 131 R CA -0.268 55.706 56.100 -0.210 0.000 0.866 131 R CB 0.935 31.186 30.300 -0.081 0.000 1.263 131 R HN 0.097 nan 8.270 nan 0.000 0.475 132 T N -0.599 113.710 114.554 -0.408 0.000 2.928 132 T HA 0.732 5.082 4.350 0.001 0.000 0.284 132 T C -0.535 174.136 174.700 -0.049 0.000 1.008 132 T CA -0.426 61.425 62.100 -0.416 0.000 1.057 132 T CB 0.802 69.357 68.868 -0.522 0.000 1.018 132 T HN 0.791 nan 8.240 nan 0.000 0.493 133 Y N -1.934 118.242 120.300 -0.206 0.000 2.755 133 Y HA 0.509 5.059 4.550 0.001 0.000 0.368 133 Y C -0.724 175.085 175.900 -0.151 0.000 1.177 133 Y CA -0.853 57.160 58.100 -0.144 0.000 1.290 133 Y CB 0.145 38.529 38.460 -0.127 0.000 1.415 133 Y HN 1.079 nan 8.280 nan 0.000 0.501 134 T N -1.790 112.732 114.554 -0.053 0.000 2.724 134 T HA 0.481 4.831 4.350 0.001 0.000 0.274 134 T C -0.464 174.274 174.700 0.064 0.000 0.984 134 T CA -0.525 61.503 62.100 -0.120 0.000 1.024 134 T CB 1.113 69.964 68.868 -0.028 0.000 1.320 134 T HN 0.790 nan 8.240 nan 0.000 0.555 135 Y N -0.116 120.305 120.300 0.202 0.000 2.466 135 Y HA 0.551 5.102 4.550 0.001 0.000 0.272 135 Y C 1.440 177.269 175.900 -0.118 0.000 1.169 135 Y CA -0.327 57.656 58.100 -0.196 0.000 1.285 135 Y CB 0.541 38.441 38.460 -0.934 0.000 1.078 135 Y HN 0.773 nan 8.280 nan 0.000 0.523 136 A N -0.242 122.791 122.820 0.355 0.000 3.409 136 A HA 0.258 4.578 4.320 0.001 0.000 0.282 136 A C -0.305 177.569 177.584 0.483 0.000 1.064 136 A CA -0.445 51.861 52.037 0.449 0.000 0.889 136 A CB -0.151 19.251 19.000 0.670 0.000 1.251 136 A HN 0.151 nan 8.150 nan 0.000 0.538 137 D N 0.317 120.923 120.400 0.344 0.000 2.346 137 D HA 0.015 4.656 4.640 0.001 0.000 0.206 137 D C 0.334 176.809 176.300 0.293 0.000 1.001 137 D CA 0.852 55.051 54.000 0.331 0.000 0.871 137 D CB 0.391 41.300 40.800 0.181 0.000 0.943 137 D HN 0.420 nan 8.370 nan 0.000 0.518 138 T N 4.009 118.678 114.554 0.192 0.000 2.792 138 T HA 0.074 4.425 4.350 0.001 0.000 0.286 138 T C -2.380 172.153 174.700 -0.278 0.000 0.970 138 T CA -0.786 61.319 62.100 0.009 0.000 1.187 138 T CB 0.879 69.759 68.868 0.021 0.000 0.915 138 T HN -0.013 nan 8.240 nan 0.000 0.529 139 P HA 0.103 nan 4.420 nan 0.000 0.268 139 P C -0.022 176.543 177.300 -1.225 0.000 1.205 139 P CA -0.072 62.447 63.100 -0.969 0.000 0.771 139 P CB 0.313 31.777 31.700 -0.393 0.000 0.858 140 D N -0.092 118.990 120.400 -2.196 0.000 2.697 140 D HA -0.202 4.439 4.640 0.001 0.000 0.238 140 D C -0.337 175.377 176.300 -0.976 0.000 1.152 140 D CA 0.926 54.024 54.000 -1.504 0.000 0.666 140 D CB -1.496 39.050 40.800 -0.425 0.000 1.037 140 D HN 0.459 nan 8.370 nan 0.000 0.423 141 D N -0.578 119.162 120.400 -1.100 0.000 2.638 141 D HA 0.198 4.838 4.640 0.001 0.000 0.245 141 D C 0.733 177.097 176.300 0.107 0.000 1.176 141 D CA -0.631 53.244 54.000 -0.208 0.000 0.996 141 D CB -0.562 40.243 40.800 0.008 0.000 1.012 141 D HN 0.114 nan 8.370 nan 0.000 0.515 142 F N 0.419 120.488 119.950 0.199 0.000 2.407 142 F HA -0.044 4.483 4.527 0.001 0.000 0.299 142 F C 2.136 178.070 175.800 0.224 0.000 1.097 142 F CA 0.557 58.740 58.000 0.304 0.000 1.422 142 F CB 0.411 39.518 39.000 0.179 0.000 1.067 142 F HN 0.253 nan 8.300 nan 0.000 0.539 143 Q N 0.085 120.055 119.800 0.284 0.000 2.360 143 Q HA 0.173 4.513 4.340 0.001 0.000 0.202 143 Q C 0.553 176.525 176.000 -0.047 0.000 0.915 143 Q CA 0.135 55.980 55.803 0.069 0.000 0.943 143 Q CB -0.077 28.626 28.738 -0.057 0.000 1.064 143 Q HN 0.422 nan 8.270 nan 0.000 0.511 144 L N 1.065 122.377 121.223 0.148 0.000 3.746 144 L HA -0.287 4.053 4.340 0.001 0.000 0.542 144 L C 0.458 177.396 176.870 0.115 0.000 1.268 144 L CA 0.049 55.032 54.840 0.237 0.000 0.818 144 L CB -1.702 40.539 42.059 0.302 0.000 1.472 144 L HN 0.349 nan 8.230 nan 0.000 0.843 145 H N -0.903 118.291 119.070 0.206 0.000 2.497 145 H HA 0.100 4.656 4.556 0.001 0.000 0.282 145 H C 1.481 176.912 175.328 0.172 0.000 1.003 145 H CA 0.851 56.994 56.048 0.158 0.000 1.307 145 H CB 0.338 30.166 29.762 0.111 0.000 1.437 145 H HN 0.432 nan 8.280 nan 0.000 0.544 146 N N 0.564 119.443 118.700 0.299 0.000 2.346 146 N HA 0.000 4.741 4.740 0.001 0.000 0.225 146 N C -0.857 174.817 175.510 0.273 0.000 1.144 146 N CA -0.065 53.130 53.050 0.242 0.000 0.837 146 N CB -0.279 38.316 38.487 0.179 0.000 1.069 146 N HN 0.211 nan 8.380 nan 0.000 0.487 147 F N 2.101 122.154 119.950 0.172 0.000 2.472 147 F HA 0.269 4.796 4.527 0.001 0.000 0.364 147 F C 0.260 176.121 175.800 0.101 0.000 1.090 147 F CA -0.337 57.754 58.000 0.153 0.000 1.188 147 F CB 0.437 39.488 39.000 0.085 0.000 1.105 147 F HN -0.062 nan 8.300 nan 0.000 0.536 148 S N 5.815 121.368 115.700 -0.245 0.000 2.550 148 S HA 0.578 5.048 4.470 0.001 0.000 0.270 148 S C -1.244 173.238 174.600 -0.197 0.000 1.145 148 S CA -1.172 56.978 58.200 -0.083 0.000 0.852 148 S CB 1.444 64.661 63.200 0.029 0.000 1.119 148 S HN 0.629 nan 8.310 nan 0.000 0.465 149 L N 2.590 123.764 121.223 -0.082 0.000 2.290 149 L HA 0.480 4.820 4.340 0.001 0.000 0.284 149 L C -1.838 175.054 176.870 0.036 0.000 1.078 149 L CA -1.687 53.137 54.840 -0.028 0.000 0.815 149 L CB 0.565 42.575 42.059 -0.082 0.000 1.162 149 L HN 0.536 nan 8.230 nan 0.000 0.435 150 P HA 0.048 nan 4.420 nan 0.000 0.289 150 P C 0.302 177.568 177.300 -0.057 0.000 1.299 150 P CA -0.520 62.556 63.100 -0.039 0.000 0.766 150 P CB 0.654 32.237 31.700 -0.195 0.000 1.226 151 E N 0.012 120.152 120.200 -0.100 0.000 2.204 151 E HA -0.218 4.132 4.350 0.001 0.000 0.194 151 E C 1.280 177.841 176.600 -0.065 0.000 0.989 151 E CA 1.102 57.457 56.400 -0.076 0.000 0.824 151 E CB -0.252 29.404 29.700 -0.073 0.000 0.756 151 E HN 0.287 nan 8.360 nan 0.000 0.477 152 E N 1.151 121.298 120.200 -0.090 0.000 2.097 152 E HA -0.210 4.141 4.350 0.001 0.000 0.196 152 E C 1.439 178.075 176.600 0.061 0.000 1.000 152 E CA 2.158 58.550 56.400 -0.013 0.000 0.804 152 E CB -0.046 29.654 29.700 0.001 0.000 0.740 152 E HN 0.472 nan 8.360 nan 0.000 0.454 153 D N -1.367 119.084 120.400 0.083 0.000 2.106 153 D HA -0.093 4.547 4.640 0.001 0.000 0.203 153 D C 2.027 178.247 176.300 -0.132 0.000 0.977 153 D CA 1.953 55.985 54.000 0.055 0.000 0.844 153 D CB -0.228 40.635 40.800 0.106 0.000 1.002 153 D HN 0.264 nan 8.370 nan 0.000 0.461 154 T N -1.733 112.722 114.554 -0.164 0.000 3.023 154 T HA -0.010 4.340 4.350 0.001 0.000 0.266 154 T C 1.650 176.284 174.700 -0.110 0.000 1.093 154 T CA 0.725 62.692 62.100 -0.223 0.000 1.129 154 T CB 0.141 68.928 68.868 -0.134 0.000 0.899 154 T HN -0.039 nan 8.240 nan 0.000 0.491 155 K N 0.149 120.510 120.400 -0.066 0.000 2.262 155 K HA 0.292 4.613 4.320 0.001 0.000 0.200 155 K C 1.913 178.498 176.600 -0.024 0.000 1.058 155 K CA 0.235 56.500 56.287 -0.037 0.000 0.974 155 K CB 0.129 32.611 32.500 -0.031 0.000 0.910 155 K HN 0.351 nan 8.250 nan 0.000 0.484 156 L N 0.223 121.436 121.223 -0.017 0.000 2.327 156 L HA 0.105 4.445 4.340 0.001 0.000 0.192 156 L C 2.307 179.183 176.870 0.011 0.000 1.158 156 L CA 0.381 55.222 54.840 0.002 0.000 0.813 156 L CB -0.597 41.469 42.059 0.011 0.000 1.021 156 L HN -0.120 nan 8.230 nan 0.000 0.481 157 K N 0.745 121.167 120.400 0.037 0.000 2.009 157 K HA -0.130 4.190 4.320 0.001 0.000 0.210 157 K C 2.076 178.688 176.600 0.020 0.000 1.049 157 K CA 1.666 57.997 56.287 0.073 0.000 0.929 157 K CB -0.266 32.341 32.500 0.179 0.000 0.714 157 K HN 0.199 nan 8.250 nan 0.000 0.440 158 I N 0.641 121.171 120.570 -0.065 0.000 2.202 158 I HA -0.175 3.995 4.170 0.001 0.000 0.242 158 I C -0.963 175.096 176.117 -0.097 0.000 1.091 158 I CA 1.001 62.190 61.300 -0.185 0.000 1.368 158 I CB -1.096 36.659 38.000 -0.409 0.000 1.058 158 I HN 0.085 nan 8.210 nan 0.000 0.410 159 P HA -0.135 nan 4.420 nan 0.000 0.217 159 P C 1.992 179.318 177.300 0.043 0.000 1.150 159 P CA 1.366 64.521 63.100 0.092 0.000 0.832 159 P CB 0.028 31.756 31.700 0.046 0.000 0.787 160 L N -1.388 119.833 121.223 -0.002 0.000 2.046 160 L HA -0.157 4.184 4.340 0.001 0.000 0.208 160 L C 2.388 179.209 176.870 -0.081 0.000 1.077 160 L CA 1.381 56.208 54.840 -0.022 0.000 0.747 160 L CB -0.740 41.318 42.059 -0.002 0.000 0.896 160 L HN -0.066 nan 8.230 nan 0.000 0.432 161 I N -1.179 119.328 120.570 -0.105 0.000 2.179 161 I HA -0.331 3.840 4.170 0.001 0.000 0.242 161 I C 2.636 178.634 176.117 -0.198 0.000 1.088 161 I CA 1.093 62.282 61.300 -0.185 0.000 1.357 161 I CB -0.596 37.303 38.000 -0.168 0.000 1.051 161 I HN 0.289 nan 8.210 nan 0.000 0.409 162 H N 1.214 120.233 119.070 -0.084 0.000 2.357 162 H HA -0.170 4.387 4.556 0.001 0.000 0.296 162 H C 2.489 177.761 175.328 -0.093 0.000 1.108 162 H CA 1.682 57.685 56.048 -0.076 0.000 1.273 162 H CB -0.298 29.433 29.762 -0.050 0.000 1.367 162 H HN 0.345 nan 8.280 nan 0.000 0.498 163 R N 0.174 120.691 120.500 0.028 0.000 2.148 163 R HA 0.051 4.391 4.340 0.001 0.000 0.223 163 R C 2.571 178.809 176.300 -0.103 0.000 1.088 163 R CA 0.785 56.874 56.100 -0.019 0.000 0.985 163 R CB -0.060 30.235 30.300 -0.008 0.000 0.880 163 R HN 0.212 nan 8.270 nan 0.000 0.451 164 A N 1.501 124.162 122.820 -0.266 0.000 1.877 164 A HA -0.097 4.224 4.320 0.001 0.000 0.216 164 A C 2.118 179.475 177.584 -0.378 0.000 1.186 164 A CA 1.088 52.754 52.037 -0.619 0.000 0.620 164 A CB -0.488 17.683 19.000 -1.383 0.000 0.822 164 A HN 0.151 nan 8.150 nan 0.000 0.443 165 L N -1.024 120.057 121.223 -0.236 0.000 2.141 165 L HA -0.206 4.135 4.340 0.001 0.000 0.209 165 L C 2.724 179.579 176.870 -0.024 0.000 1.094 165 L CA 1.378 56.164 54.840 -0.091 0.000 0.763 165 L CB -0.962 41.064 42.059 -0.055 0.000 0.908 165 L HN 0.509 nan 8.230 nan 0.000 0.437 166 Q N 0.267 120.057 119.800 -0.017 0.000 2.124 166 Q HA -0.156 4.185 4.340 0.001 0.000 0.202 166 Q C 2.392 178.405 176.000 0.021 0.000 0.977 166 Q CA 1.283 57.090 55.803 0.007 0.000 0.850 166 Q CB -0.043 28.700 28.738 0.008 0.000 0.901 166 Q HN 0.511 nan 8.270 nan 0.000 0.429 167 L N 0.047 121.285 121.223 0.026 0.000 2.179 167 L HA 0.037 4.378 4.340 0.001 0.000 0.208 167 L C 0.946 177.880 176.870 0.106 0.000 1.096 167 L CA -0.190 54.693 54.840 0.072 0.000 0.779 167 L CB -0.205 41.918 42.059 0.108 0.000 0.922 167 L HN 0.027 nan 8.230 nan 0.000 0.443 168 A N -0.035 122.854 122.820 0.114 0.000 2.488 168 A HA 0.003 4.323 4.320 0.001 0.000 0.249 168 A C 1.114 178.750 177.584 0.087 0.000 1.083 168 A CA -0.035 52.087 52.037 0.141 0.000 0.768 168 A CB 0.578 19.675 19.000 0.162 0.000 1.017 168 A HN 0.386 nan 8.150 nan 0.000 0.496 169 Q N 2.369 122.218 119.800 0.081 0.000 2.134 169 Q HA 0.004 4.345 4.340 0.001 0.000 0.195 169 Q C 0.468 176.498 176.000 0.051 0.000 0.958 169 Q CA 0.334 56.171 55.803 0.057 0.000 0.840 169 Q CB 0.020 28.790 28.738 0.053 0.000 0.918 169 Q HN 0.807 nan 8.270 nan 0.000 0.467 170 R N 2.284 122.818 120.500 0.057 0.000 2.585 170 R HA 0.073 4.414 4.340 0.001 0.000 0.275 170 R C -2.276 174.052 176.300 0.046 0.000 1.018 170 R CA -1.153 54.975 56.100 0.047 0.000 1.072 170 R CB -0.042 30.291 30.300 0.054 0.000 0.953 170 R HN 0.255 nan 8.270 nan 0.000 0.419 171 P HA 0.004 nan 4.420 nan 0.000 0.268 171 P C -0.779 176.528 177.300 0.011 0.000 1.204 171 P CA -0.040 63.067 63.100 0.012 0.000 0.768 171 P CB 0.673 32.369 31.700 -0.006 0.000 0.842 172 V N 3.300 123.225 119.914 0.017 0.000 2.427 172 V HA 0.301 4.422 4.120 0.001 0.000 0.286 172 V C 0.288 176.377 176.094 -0.009 0.000 1.034 172 V CA -0.161 62.157 62.300 0.030 0.000 0.893 172 V CB 1.580 33.434 31.823 0.051 0.000 0.982 172 V HN 0.493 nan 8.190 nan 0.000 0.452 173 S N 5.617 121.306 115.700 -0.018 0.000 2.475 173 S HA 0.703 5.174 4.470 0.001 0.000 0.298 173 S C -0.511 174.162 174.600 0.122 0.000 1.119 173 S CA -0.552 57.660 58.200 0.019 0.000 1.085 173 S CB 1.152 64.235 63.200 -0.196 0.000 1.028 173 S HN 0.488 nan 8.310 nan 0.000 0.489 174 L N 3.102 124.391 121.223 0.110 0.000 2.309 174 L HA 0.602 4.942 4.340 0.001 0.000 0.282 174 L C -0.830 176.289 176.870 0.414 0.000 1.036 174 L CA -0.939 53.934 54.840 0.055 0.000 0.806 174 L CB 1.144 42.821 42.059 -0.635 0.000 1.220 174 L HN 0.412 nan 8.230 nan 0.000 0.429 175 L N 3.292 124.807 121.223 0.487 0.000 2.325 175 L HA 0.780 5.120 4.340 0.001 0.000 0.281 175 L C -0.336 176.747 176.870 0.355 0.000 1.004 175 L CA -0.205 54.871 54.840 0.393 0.000 0.823 175 L CB 1.408 43.657 42.059 0.317 0.000 1.236 175 L HN 0.655 nan 8.230 nan 0.000 0.415 176 A N 3.439 126.314 122.820 0.092 0.000 2.317 176 A HA 0.884 5.205 4.320 0.001 0.000 0.327 176 A C -0.608 176.870 177.584 -0.177 0.000 1.178 176 A CA -0.432 51.489 52.037 -0.193 0.000 0.817 176 A CB 0.889 19.378 19.000 -0.852 0.000 1.189 176 A HN 0.718 nan 8.150 nan 0.000 0.489 177 S N 3.221 118.867 115.700 -0.091 0.000 2.571 177 S HA 0.709 5.179 4.470 0.001 0.000 0.284 177 S C -3.009 171.584 174.600 -0.012 0.000 1.128 177 S CA -0.997 57.160 58.200 -0.072 0.000 0.970 177 S CB 2.068 65.233 63.200 -0.058 0.000 1.039 177 S HN 0.649 nan 8.310 nan 0.000 0.485 178 P HA 0.282 nan 4.420 nan 0.000 0.286 178 P C 0.053 177.441 177.300 0.146 0.000 1.261 178 P CA -0.655 62.490 63.100 0.075 0.000 0.821 178 P CB 1.127 32.830 31.700 0.005 0.000 1.013 179 W N 0.813 122.130 121.300 0.027 0.000 2.678 179 W HA 0.072 4.732 4.660 0.001 0.000 0.282 179 W C 0.525 177.037 176.519 -0.011 0.000 1.137 179 W CA 0.768 58.137 57.345 0.040 0.000 1.515 179 W CB 0.411 29.913 29.460 0.071 0.000 1.101 179 W HN 0.233 nan 8.180 nan 0.000 0.564 180 T N 0.045 114.676 114.554 0.129 0.000 2.900 180 T HA 0.294 4.644 4.350 0.001 0.000 0.303 180 T C -0.268 174.183 174.700 -0.414 0.000 1.142 180 T CA -0.408 61.604 62.100 -0.147 0.000 1.007 180 T CB 1.544 70.350 68.868 -0.103 0.000 1.156 180 T HN -0.083 nan 8.240 nan 0.000 0.490 181 S N 3.550 118.718 115.700 -0.886 0.000 2.669 181 S HA 0.662 5.132 4.470 0.001 0.000 0.270 181 S C -2.709 171.447 174.600 -0.740 0.000 1.225 181 S CA -1.266 56.164 58.200 -1.283 0.000 0.991 181 S CB 0.339 62.404 63.200 -1.892 0.000 0.987 181 S HN 0.521 nan 8.310 nan 0.000 0.552 182 P HA -0.015 nan 4.420 nan 0.000 0.265 182 P C 1.092 177.978 177.300 -0.689 0.000 1.167 182 P CA 0.408 63.153 63.100 -0.592 0.000 0.760 182 P CB 0.092 31.262 31.700 -0.884 0.000 0.783 183 T N -1.448 112.892 114.554 -0.358 0.000 3.088 183 T HA -0.047 4.303 4.350 0.001 0.000 0.259 183 T C 1.092 175.707 174.700 -0.141 0.000 1.122 183 T CA 0.044 62.004 62.100 -0.233 0.000 1.095 183 T CB -0.570 68.246 68.868 -0.088 0.000 0.930 183 T HN 0.591 nan 8.240 nan 0.000 0.508 184 W N 1.350 122.591 121.300 -0.097 0.000 3.391 184 W HA 0.393 5.053 4.660 0.001 0.000 0.275 184 W C 0.012 176.517 176.519 -0.024 0.000 1.318 184 W CA -0.640 56.672 57.345 -0.054 0.000 1.665 184 W CB -0.847 28.585 29.460 -0.047 0.000 1.078 184 W HN 0.264 nan 8.180 nan 0.000 0.732 185 L N 0.869 121.862 121.223 -0.384 0.000 2.906 185 L HA 0.295 4.636 4.340 0.001 0.000 0.255 185 L C 0.397 177.030 176.870 -0.395 0.000 1.166 185 L CA 0.204 54.850 54.840 -0.324 0.000 0.977 185 L CB -0.039 41.688 42.059 -0.553 0.000 1.313 185 L HN -0.279 nan 8.230 nan 0.000 0.549 186 K N 0.229 120.434 120.400 -0.325 0.000 2.244 186 K HA 0.255 4.576 4.320 0.001 0.000 0.260 186 K C 1.152 177.605 176.600 -0.244 0.000 0.951 186 K CA -0.066 56.025 56.287 -0.328 0.000 0.826 186 K CB 2.146 34.461 32.500 -0.309 0.000 1.108 186 K HN -0.001 nan 8.250 nan 0.000 0.433 187 T N -0.450 113.954 114.554 -0.251 0.000 2.653 187 T HA -0.269 4.081 4.350 0.001 0.000 0.267 187 T C 1.274 175.895 174.700 -0.131 0.000 1.037 187 T CA 2.115 64.104 62.100 -0.185 0.000 1.159 187 T CB -0.326 68.445 68.868 -0.162 0.000 0.859 187 T HN 0.693 nan 8.240 nan 0.000 0.449 188 N N 1.734 120.356 118.700 -0.129 0.000 2.336 188 N HA 0.183 4.924 4.740 0.001 0.000 0.189 188 N C 1.520 176.991 175.510 -0.066 0.000 1.113 188 N CA 0.613 53.611 53.050 -0.087 0.000 0.858 188 N CB -0.811 37.627 38.487 -0.080 0.000 0.970 188 N HN 0.750 nan 8.380 nan 0.000 0.471 189 G N -0.410 108.345 108.800 -0.075 0.000 2.361 189 G HA2 -0.128 3.832 3.960 0.001 0.000 0.294 189 G HA3 -0.128 3.832 3.960 0.001 0.000 0.294 189 G C 0.083 174.963 174.900 -0.033 0.000 1.004 189 G CA 0.711 45.788 45.100 -0.038 0.000 0.870 189 G HN 0.895 nan 8.290 nan 0.000 0.510 190 A N -1.469 121.318 122.820 -0.055 0.000 2.413 190 A HA 0.836 5.157 4.320 0.001 0.000 0.307 190 A C 1.250 178.806 177.584 -0.047 0.000 1.087 190 A CA 0.195 52.213 52.037 -0.032 0.000 0.750 190 A CB 1.514 20.505 19.000 -0.014 0.000 1.296 190 A HN 1.414 nan 8.150 nan 0.000 0.423 191 V N -0.517 119.387 119.914 -0.016 0.000 2.809 191 V HA -0.007 4.114 4.120 0.001 0.000 0.256 191 V C 0.737 176.871 176.094 0.066 0.000 1.080 191 V CA 1.880 64.175 62.300 -0.008 0.000 1.102 191 V CB -1.713 30.102 31.823 -0.013 0.000 0.705 191 V HN 0.914 nan 8.190 nan 0.000 0.475 192 N N 0.358 119.118 118.700 0.102 0.000 3.357 192 N HA 0.643 5.383 4.740 0.001 0.000 0.359 192 N C 0.627 176.175 175.510 0.064 0.000 1.477 192 N CA 0.165 53.296 53.050 0.134 0.000 0.645 192 N CB -0.155 38.437 38.487 0.174 0.000 1.703 192 N HN 0.846 nan 8.380 nan 0.000 0.597 193 G N -0.538 108.305 108.800 0.070 0.000 2.916 193 G HA2 -0.201 3.759 3.960 0.001 0.000 0.533 193 G HA3 -0.201 3.759 3.960 0.001 0.000 0.533 193 G C -0.680 174.217 174.900 -0.005 0.000 1.516 193 G CA -0.236 44.880 45.100 0.028 0.000 0.944 193 G HN 0.723 nan 8.290 nan 0.000 0.555 194 K N 1.268 121.651 120.400 -0.027 0.000 2.351 194 K HA 0.489 4.810 4.320 0.001 0.000 0.287 194 K C 0.580 177.127 176.600 -0.088 0.000 1.068 194 K CA 1.020 57.270 56.287 -0.062 0.000 0.998 194 K CB -0.306 32.163 32.500 -0.052 0.000 0.968 194 K HN 1.560 nan 8.250 nan 0.000 0.464 195 G N 1.738 110.462 108.800 -0.128 0.000 2.733 195 G HA2 0.358 4.318 3.960 0.001 0.000 0.297 195 G HA3 0.358 4.318 3.960 0.001 0.000 0.297 195 G C -1.243 173.508 174.900 -0.248 0.000 1.452 195 G CA -0.508 44.491 45.100 -0.168 0.000 0.940 195 G HN 0.481 nan 8.290 nan 0.000 0.547 196 S N -0.322 115.204 115.700 -0.290 0.000 2.837 196 S HA 0.710 5.180 4.470 0.001 0.000 0.314 196 S C 0.124 174.436 174.600 -0.480 0.000 1.098 196 S CA -0.826 57.115 58.200 -0.433 0.000 0.903 196 S CB 0.842 63.866 63.200 -0.294 0.000 1.310 196 S HN 0.616 nan 8.310 nan 0.000 0.581 197 L N 1.302 122.177 121.223 -0.580 0.000 2.464 197 L HA 0.294 4.634 4.340 0.001 0.000 0.264 197 L C 0.484 177.173 176.870 -0.301 0.000 1.199 197 L CA -0.118 54.411 54.840 -0.519 0.000 0.818 197 L CB 0.191 41.807 42.059 -0.739 0.000 1.102 197 L HN 0.461 nan 8.230 nan 0.000 0.473 198 K N 0.804 120.961 120.400 -0.405 0.000 2.237 198 K HA 0.407 4.728 4.320 0.001 0.000 0.270 198 K C 0.577 177.080 176.600 -0.163 0.000 1.015 198 K CA 0.609 56.617 56.287 -0.466 0.000 0.949 198 K CB 0.876 32.696 32.500 -1.134 0.000 0.976 198 K HN 0.800 nan 8.250 nan 0.000 0.472 199 G N 1.091 109.853 108.800 -0.063 0.000 2.509 199 G HA2 -0.255 3.706 3.960 0.001 0.000 0.259 199 G HA3 -0.255 3.706 3.960 0.001 0.000 0.259 199 G C -1.047 173.889 174.900 0.060 0.000 1.169 199 G CA 0.144 45.299 45.100 0.091 0.000 0.953 199 G HN 0.642 nan 8.290 nan 0.000 0.563 200 Q N 0.437 120.223 119.800 -0.023 0.000 2.377 200 Q HA 0.624 4.965 4.340 0.001 0.000 0.279 200 Q C -3.174 172.438 176.000 -0.646 0.000 1.049 200 Q CA -1.753 53.881 55.803 -0.281 0.000 0.825 200 Q CB 1.900 30.547 28.738 -0.152 0.000 1.401 200 Q HN 0.401 nan 8.270 nan 0.000 0.404 201 P HA 0.106 nan 4.420 nan 0.000 0.266 201 P C 0.675 177.878 177.300 -0.162 0.000 1.186 201 P CA 2.382 65.227 63.100 -0.426 0.000 0.767 201 P CB 0.267 31.963 31.700 -0.005 0.000 0.820 202 G N 1.516 110.314 108.800 -0.003 0.000 2.336 202 G HA2 -0.240 3.721 3.960 0.001 0.000 0.233 202 G HA3 -0.240 3.721 3.960 0.001 0.000 0.233 202 G C 0.343 175.280 174.900 0.062 0.000 1.053 202 G CA 0.465 45.584 45.100 0.030 0.000 0.625 202 G HN 0.738 nan 8.290 nan 0.000 0.511 203 D N 0.740 121.174 120.400 0.057 0.000 2.274 203 D HA 0.398 5.039 4.640 0.001 0.000 0.256 203 D C 1.947 178.337 176.300 0.150 0.000 1.274 203 D CA 0.227 54.287 54.000 0.100 0.000 0.998 203 D CB -0.143 40.736 40.800 0.131 0.000 1.139 203 D HN 0.298 nan 8.370 nan 0.000 0.540 204 I N -1.341 119.247 120.570 0.031 0.000 2.406 204 I HA -0.192 3.979 4.170 0.001 0.000 0.249 204 I C 2.017 178.156 176.117 0.037 0.000 1.122 204 I CA 0.632 61.859 61.300 -0.122 0.000 1.431 204 I CB -0.356 37.364 38.000 -0.466 0.000 1.087 204 I HN 0.319 nan 8.210 nan 0.000 0.424 205 Y N 0.428 120.918 120.300 0.317 0.000 2.114 205 Y HA -0.269 4.282 4.550 0.001 0.000 0.284 205 Y C 2.765 178.885 175.900 0.368 0.000 1.143 205 Y CA 1.718 60.059 58.100 0.402 0.000 1.135 205 Y CB -0.855 37.773 38.460 0.280 0.000 0.980 205 Y HN 0.142 nan 8.280 nan 0.000 0.499 206 H N -0.610 118.730 119.070 0.452 0.000 2.387 206 H HA -0.136 4.420 4.556 0.001 0.000 0.299 206 H C 2.061 177.690 175.328 0.501 0.000 1.090 206 H CA 1.553 57.899 56.048 0.498 0.000 1.332 206 H CB -0.151 29.899 29.762 0.481 0.000 1.386 206 H HN 0.250 nan 8.280 nan 0.000 0.516 207 Q N -0.293 119.782 119.800 0.459 0.000 2.167 207 Q HA -0.065 4.276 4.340 0.001 0.000 0.202 207 Q C 2.110 178.313 176.000 0.338 0.000 0.970 207 Q CA 1.305 57.297 55.803 0.316 0.000 0.855 207 Q CB -0.244 28.616 28.738 0.203 0.000 0.911 207 Q HN 0.481 nan 8.270 nan 0.000 0.438 208 T N 0.281 115.085 114.554 0.415 0.000 2.770 208 T HA -0.129 4.221 4.350 0.001 0.000 0.263 208 T C 1.247 176.259 174.700 0.519 0.000 1.039 208 T CA 0.715 63.087 62.100 0.453 0.000 1.142 208 T CB -0.341 68.859 68.868 0.555 0.000 0.868 208 T HN 0.494 nan 8.240 nan 0.000 0.435 209 W N 1.705 123.165 121.300 0.267 0.000 2.333 209 W HA -0.205 4.456 4.660 0.001 0.000 0.316 209 W C 2.625 179.475 176.519 0.553 0.000 1.215 209 W CA 0.946 58.454 57.345 0.273 0.000 1.278 209 W CB -0.250 29.254 29.460 0.073 0.000 1.154 209 W HN 0.289 nan 8.180 nan 0.000 0.486 210 A N 0.784 123.919 122.820 0.525 0.000 1.892 210 A HA -0.295 4.026 4.320 0.001 0.000 0.218 210 A C 1.919 179.612 177.584 0.182 0.000 1.188 210 A CA 2.187 54.343 52.037 0.199 0.000 0.631 210 A CB -1.136 17.880 19.000 0.027 0.000 0.822 210 A HN 0.430 nan 8.150 nan 0.000 0.447 211 R N -2.267 118.367 120.500 0.223 0.000 2.148 211 R HA -0.151 4.190 4.340 0.001 0.000 0.227 211 R C 1.979 178.366 176.300 0.144 0.000 1.103 211 R CA 1.500 57.691 56.100 0.151 0.000 0.983 211 R CB -0.446 29.947 30.300 0.156 0.000 0.874 211 R HN 0.694 nan 8.270 nan 0.000 0.451 212 Y N 0.015 120.384 120.300 0.116 0.000 2.128 212 Y HA -0.275 4.275 4.550 0.001 0.000 0.284 212 Y C 1.503 177.368 175.900 -0.059 0.000 1.154 212 Y CA 1.900 60.050 58.100 0.084 0.000 1.149 212 Y CB -0.319 38.280 38.460 0.233 0.000 0.976 212 Y HN -0.011 nan 8.280 nan 0.000 0.505 213 F N -0.787 119.121 119.950 -0.070 0.000 2.120 213 F HA -0.295 4.233 4.527 0.001 0.000 0.300 213 F C 2.347 178.068 175.800 -0.132 0.000 1.095 213 F CA 1.773 59.679 58.000 -0.156 0.000 1.249 213 F CB -1.035 37.817 39.000 -0.247 0.000 0.995 213 F HN -0.075 nan 8.300 nan 0.000 0.480 214 V N -0.748 119.196 119.914 0.050 0.000 2.488 214 V HA -0.188 3.933 4.120 0.001 0.000 0.246 214 V C 2.369 178.375 176.094 -0.147 0.000 1.046 214 V CA 1.273 63.577 62.300 0.007 0.000 1.053 214 V CB -0.445 31.406 31.823 0.047 0.000 0.679 214 V HN 0.116 nan 8.190 nan 0.000 0.458 215 K N 0.147 120.322 120.400 -0.375 0.000 2.032 215 K HA -0.181 4.139 4.320 0.001 0.000 0.209 215 K C 1.957 178.024 176.600 -0.887 0.000 1.048 215 K CA 1.743 57.526 56.287 -0.839 0.000 0.927 215 K CB -1.009 30.552 32.500 -1.564 0.000 0.712 215 K HN 0.496 nan 8.250 nan 0.000 0.441 216 F N 1.475 120.949 119.950 -0.794 0.000 2.069 216 F HA -0.191 4.336 4.527 0.001 0.000 0.298 216 F C 1.879 177.553 175.800 -0.210 0.000 1.113 216 F CA 1.480 59.297 58.000 -0.305 0.000 1.214 216 F CB -0.383 38.460 39.000 -0.262 0.000 0.978 216 F HN -0.082 nan 8.300 nan 0.000 0.474 217 L N 0.158 121.204 121.223 -0.294 0.000 2.083 217 L HA -0.230 4.110 4.340 0.001 0.000 0.209 217 L C 2.213 178.852 176.870 -0.386 0.000 1.083 217 L CA 1.349 55.902 54.840 -0.479 0.000 0.752 217 L CB -0.949 40.711 42.059 -0.665 0.000 0.899 217 L HN 0.168 nan 8.230 nan 0.000 0.433 218 D N 0.386 120.703 120.400 -0.138 0.000 2.097 218 D HA -0.178 4.463 4.640 0.001 0.000 0.195 218 D C 2.264 178.559 176.300 -0.008 0.000 0.989 218 D CA 1.648 55.680 54.000 0.052 0.000 0.827 218 D CB -0.099 40.707 40.800 0.011 0.000 0.966 218 D HN 0.330 nan 8.370 nan 0.000 0.456 219 A N 0.306 123.090 122.820 -0.060 0.000 1.865 219 A HA -0.220 4.100 4.320 0.001 0.000 0.217 219 A C 2.165 179.799 177.584 0.084 0.000 1.191 219 A CA 1.257 53.312 52.037 0.031 0.000 0.623 219 A CB -1.157 17.907 19.000 0.106 0.000 0.826 219 A HN 0.216 nan 8.150 nan 0.000 0.444 220 Y N -0.085 120.090 120.300 -0.209 0.000 2.293 220 Y HA -0.055 4.495 4.550 0.001 0.000 0.291 220 Y C 2.881 178.789 175.900 0.013 0.000 1.137 220 Y CA 0.679 58.720 58.100 -0.098 0.000 1.202 220 Y CB -0.523 37.821 38.460 -0.194 0.000 0.990 220 Y HN 0.340 nan 8.280 nan 0.000 0.537 221 A N 0.067 122.964 122.820 0.129 0.000 1.940 221 A HA -0.237 4.083 4.320 0.001 0.000 0.219 221 A C 1.966 179.587 177.584 0.061 0.000 1.176 221 A CA 1.902 54.006 52.037 0.112 0.000 0.631 221 A CB -0.621 18.479 19.000 0.166 0.000 0.814 221 A HN 0.502 nan 8.150 nan 0.000 0.446 222 E N -0.828 119.375 120.200 0.004 0.000 2.409 222 E HA -0.124 4.226 4.350 0.001 0.000 0.198 222 E C 0.906 177.372 176.600 -0.223 0.000 1.024 222 E CA 0.791 57.119 56.400 -0.120 0.000 0.861 222 E CB -0.110 29.476 29.700 -0.191 0.000 0.788 222 E HN 0.716 nan 8.360 nan 0.000 0.521 223 H N 0.185 119.240 119.070 -0.025 0.000 2.505 223 H HA 0.164 4.720 4.556 0.001 0.000 0.289 223 H C -0.082 175.321 175.328 0.126 0.000 1.052 223 H CA 0.134 56.189 56.048 0.011 0.000 1.156 223 H CB 0.548 30.251 29.762 -0.100 0.000 1.507 223 H HN -0.056 nan 8.280 nan 0.000 0.548 224 K N 0.370 120.858 120.400 0.148 0.000 3.125 224 K HA -0.150 4.170 4.320 0.001 0.000 0.268 224 K C -0.612 176.086 176.600 0.163 0.000 1.078 224 K CA 0.303 56.676 56.287 0.143 0.000 0.775 224 K CB -2.065 30.506 32.500 0.119 0.000 1.253 224 K HN 0.382 nan 8.250 nan 0.000 0.486 225 L N 0.964 122.253 121.223 0.109 0.000 2.409 225 L HA 0.328 4.669 4.340 0.001 0.000 0.272 225 L C 0.144 177.025 176.870 0.018 0.000 0.980 225 L CA -0.731 54.123 54.840 0.023 0.000 0.826 225 L CB 2.037 44.102 42.059 0.011 0.000 1.268 225 L HN -0.020 nan 8.230 nan 0.000 0.407 226 Q N 2.319 122.081 119.800 -0.062 0.000 2.345 226 Q HA 0.528 4.868 4.340 0.001 0.000 0.268 226 Q C -1.175 174.729 176.000 -0.161 0.000 1.054 226 Q CA -0.641 55.156 55.803 -0.010 0.000 0.835 226 Q CB 3.005 31.769 28.738 0.043 0.000 1.339 226 Q HN 0.313 nan 8.270 nan 0.000 0.447 227 F N 0.594 120.553 119.950 0.013 0.000 2.394 227 F HA 0.112 4.639 4.527 0.001 0.000 0.340 227 F C 1.085 176.925 175.800 0.068 0.000 1.105 227 F CA -0.616 57.406 58.000 0.036 0.000 1.124 227 F CB 0.666 39.664 39.000 -0.004 0.000 1.145 227 F HN 0.716 nan 8.300 nan 0.000 0.505 228 W N 3.990 125.324 121.300 0.056 0.000 2.354 228 W HA 0.205 4.866 4.660 0.001 0.000 0.315 228 W C -0.003 176.519 176.519 0.004 0.000 1.206 228 W CA 1.426 58.771 57.345 -0.000 0.000 1.290 228 W CB -0.212 29.221 29.460 -0.044 0.000 1.152 228 W HN 0.457 nan 8.180 nan 0.000 0.489 229 A N -0.396 122.180 122.820 -0.407 0.000 2.602 229 A HA 0.606 4.926 4.320 0.001 0.000 0.290 229 A C -1.260 176.139 177.584 -0.308 0.000 1.114 229 A CA -0.234 51.390 52.037 -0.688 0.000 0.683 229 A CB 0.939 19.021 19.000 -1.529 0.000 1.281 229 A HN 0.658 nan 8.150 nan 0.000 0.416 230 V N -1.441 118.288 119.914 -0.308 0.000 2.962 230 V HA 0.940 5.061 4.120 0.001 0.000 0.313 230 V C -0.112 175.867 176.094 -0.193 0.000 1.099 230 V CA 0.133 62.309 62.300 -0.206 0.000 0.971 230 V CB 1.418 33.173 31.823 -0.113 0.000 1.028 230 V HN 1.802 nan 8.190 nan 0.000 0.430 231 T N 0.628 115.106 114.554 -0.126 0.000 2.934 231 T HA 0.720 5.071 4.350 0.001 0.000 0.283 231 T C 1.073 175.756 174.700 -0.028 0.000 1.005 231 T CA -0.013 62.017 62.100 -0.117 0.000 1.041 231 T CB 1.640 70.431 68.868 -0.129 0.000 1.042 231 T HN 1.741 nan 8.240 nan 0.000 0.505 232 A N 0.805 123.562 122.820 -0.104 0.000 2.168 232 A HA 0.361 4.681 4.320 0.001 0.000 0.215 232 A C 0.759 178.340 177.584 -0.004 0.000 1.152 232 A CA 0.998 52.969 52.037 -0.109 0.000 0.716 232 A CB -0.815 18.064 19.000 -0.202 0.000 0.794 232 A HN 1.065 nan 8.150 nan 0.000 0.465 233 E N -1.582 118.584 120.200 -0.057 0.000 3.260 233 E HA 0.069 4.419 4.350 0.001 0.000 0.328 233 E C -1.287 175.159 176.600 -0.256 0.000 1.112 233 E CA -0.265 56.099 56.400 -0.060 0.000 0.898 233 E CB -0.561 29.104 29.700 -0.057 0.000 1.191 233 E HN 0.211 nan 8.360 nan 0.000 0.480 234 N N 3.177 121.630 118.700 -0.412 0.000 2.475 234 N HA 0.182 4.923 4.740 0.001 0.000 0.267 234 N C -0.780 174.363 175.510 -0.612 0.000 1.169 234 N CA 0.541 53.172 53.050 -0.698 0.000 0.947 234 N CB 0.443 38.037 38.487 -1.488 0.000 1.061 234 N HN 0.608 nan 8.380 nan 0.000 0.466 235 E N 1.806 121.632 120.200 -0.623 0.000 2.272 235 E HA -0.191 4.159 4.350 0.001 0.000 0.160 235 E C -1.695 174.654 176.600 -0.418 0.000 1.627 235 E CA -0.070 55.995 56.400 -0.558 0.000 0.641 235 E CB -0.206 29.225 29.700 -0.448 0.000 1.060 235 E HN 0.671 nan 8.360 nan 0.000 0.324 236 P HA -0.238 nan 4.420 nan 0.000 0.218 236 P C 1.404 178.648 177.300 -0.094 0.000 1.149 236 P CA 1.784 64.824 63.100 -0.099 0.000 0.817 236 P CB 0.070 31.804 31.700 0.057 0.000 0.785 237 S N -0.261 115.305 115.700 -0.223 0.000 2.447 237 S HA -0.004 4.467 4.470 0.001 0.000 0.233 237 S C 2.150 176.595 174.600 -0.259 0.000 1.006 237 S CA 0.872 58.985 58.200 -0.144 0.000 0.957 237 S CB -1.166 61.929 63.200 -0.174 0.000 0.773 237 S HN 0.128 nan 8.310 nan 0.000 0.507 238 A N 1.808 124.369 122.820 -0.432 0.000 1.930 238 A HA 0.265 4.585 4.320 0.001 0.000 0.217 238 A C 2.197 179.318 177.584 -0.772 0.000 1.175 238 A CA 1.219 52.776 52.037 -0.801 0.000 0.627 238 A CB -1.474 16.804 19.000 -1.203 0.000 0.815 238 A HN 0.688 nan 8.150 nan 0.000 0.443 239 G N -0.932 107.582 108.800 -0.476 0.000 3.210 239 G HA2 0.308 4.268 3.960 0.001 0.000 0.220 239 G HA3 0.308 4.268 3.960 0.001 0.000 0.220 239 G C 0.860 175.648 174.900 -0.187 0.000 1.200 239 G CA 0.123 45.050 45.100 -0.288 0.000 0.834 239 G HN 0.421 nan 8.290 nan 0.000 0.524 240 L N -0.383 120.741 121.223 -0.165 0.000 2.693 240 L HA 0.401 4.741 4.340 0.001 0.000 0.235 240 L C 0.294 177.113 176.870 -0.084 0.000 1.127 240 L CA -0.031 54.751 54.840 -0.097 0.000 0.914 240 L CB 0.234 42.265 42.059 -0.047 0.000 1.193 240 L HN 0.068 nan 8.230 nan 0.000 0.502 241 L N -0.398 120.765 121.223 -0.101 0.000 2.295 241 L HA 0.315 4.656 4.340 0.001 0.000 0.285 241 L C 0.650 177.512 176.870 -0.014 0.000 1.035 241 L CA -0.232 54.578 54.840 -0.050 0.000 0.806 241 L CB 1.747 43.788 42.059 -0.030 0.000 1.214 241 L HN -0.103 nan 8.230 nan 0.000 0.426 242 S N 1.904 117.591 115.700 -0.022 0.000 2.546 242 S HA 0.200 4.670 4.470 0.001 0.000 0.290 242 S C 1.117 175.705 174.600 -0.019 0.000 1.290 242 S CA 0.377 58.563 58.200 -0.024 0.000 1.069 242 S CB 0.272 63.454 63.200 -0.030 0.000 0.846 242 S HN 0.995 nan 8.310 nan 0.000 0.495 243 G N 4.038 112.827 108.800 -0.019 0.000 2.424 243 G HA2 -0.301 3.660 3.960 0.001 0.000 0.294 243 G HA3 -0.301 3.660 3.960 0.001 0.000 0.294 243 G C -0.135 174.740 174.900 -0.041 0.000 0.939 243 G CA 0.508 45.593 45.100 -0.025 0.000 1.143 243 G HN 0.866 nan 8.290 nan 0.000 0.507 244 Y N 1.009 121.223 120.300 -0.143 0.000 2.721 244 Y HA 0.221 4.772 4.550 0.001 0.000 0.329 244 Y C -0.140 175.628 175.900 -0.219 0.000 1.211 244 Y CA -0.876 57.091 58.100 -0.221 0.000 1.512 244 Y CB 1.023 39.358 38.460 -0.208 0.000 1.249 244 Y HN 0.169 nan 8.280 nan 0.000 0.549 245 P HA -0.124 nan 4.420 nan 0.000 0.218 245 P C -0.330 176.791 177.300 -0.297 0.000 1.152 245 P CA 1.210 63.981 63.100 -0.547 0.000 0.826 245 P CB 0.151 31.411 31.700 -0.733 0.000 0.790 246 F N -0.298 119.432 119.950 -0.366 0.000 2.408 246 F HA 0.382 4.910 4.527 0.001 0.000 0.325 246 F C 0.928 176.894 175.800 0.278 0.000 1.082 246 F CA -1.816 56.162 58.000 -0.038 0.000 1.032 246 F CB 0.039 39.102 39.000 0.106 0.000 1.259 246 F HN -0.342 nan 8.300 nan 0.000 0.503 247 Q N 1.240 121.382 119.800 0.570 0.000 2.436 247 Q HA 0.106 4.447 4.340 0.001 0.000 0.326 247 Q C -0.441 175.853 176.000 0.490 0.000 1.079 247 Q CA 0.273 56.348 55.803 0.453 0.000 1.049 247 Q CB 0.039 29.002 28.738 0.374 0.000 1.047 247 Q HN 0.679 nan 8.270 nan 0.000 0.386 248 C N 0.450 119.895 119.300 0.242 0.000 3.336 248 C HA 0.920 5.381 4.460 0.001 0.000 0.352 248 C C -1.265 173.680 174.990 -0.074 0.000 1.567 248 C CA -1.223 57.832 59.018 0.061 0.000 1.328 248 C CB 0.973 28.678 27.740 -0.057 0.000 1.922 248 C HN 0.747 nan 8.230 nan 0.000 0.439 249 L N 1.451 122.587 121.223 -0.145 0.000 2.845 249 L HA 0.616 4.957 4.340 0.001 0.000 0.253 249 L C 0.045 176.771 176.870 -0.240 0.000 0.959 249 L CA 0.327 55.008 54.840 -0.264 0.000 1.001 249 L CB 0.696 42.595 42.059 -0.268 0.000 1.374 249 L HN 1.310 nan 8.230 nan 0.000 0.469 250 G N 3.234 111.840 108.800 -0.324 0.000 2.378 250 G HA2 0.460 4.420 3.960 0.001 0.000 0.255 250 G HA3 0.460 4.420 3.960 0.001 0.000 0.255 250 G C -0.992 173.681 174.900 -0.378 0.000 1.270 250 G CA 0.028 44.993 45.100 -0.226 0.000 0.876 250 G HN 0.342 nan 8.290 nan 0.000 0.521 251 F N 0.526 120.440 119.950 -0.060 0.000 2.540 251 F HA 0.448 4.976 4.527 0.001 0.000 0.317 251 F C 0.982 176.871 175.800 0.148 0.000 1.104 251 F CA -0.893 57.097 58.000 -0.016 0.000 0.913 251 F CB 2.138 41.100 39.000 -0.062 0.000 1.170 251 F HN 0.582 nan 8.300 nan 0.000 0.450 252 T N -0.458 114.233 114.554 0.227 0.000 2.828 252 T HA 0.238 4.589 4.350 0.001 0.000 0.290 252 T C -1.922 172.562 174.700 -0.361 0.000 1.019 252 T CA -1.689 60.436 62.100 0.041 0.000 1.031 252 T CB 1.250 70.124 68.868 0.010 0.000 1.001 252 T HN 0.322 nan 8.240 nan 0.000 0.531 253 P HA -0.109 nan 4.420 nan 0.000 0.216 253 P C 1.098 177.996 177.300 -0.670 0.000 1.150 253 P CA 1.176 63.292 63.100 -1.639 0.000 0.843 253 P CB 0.075 30.795 31.700 -1.633 0.000 0.787 254 E N -1.302 118.685 120.200 -0.355 0.000 2.077 254 E HA -0.208 4.143 4.350 0.001 0.000 0.193 254 E C 2.215 178.826 176.600 0.020 0.000 0.989 254 E CA 1.149 57.461 56.400 -0.147 0.000 0.800 254 E CB -1.104 28.539 29.700 -0.095 0.000 0.746 254 E HN 0.523 nan 8.360 nan 0.000 0.452 255 H N -0.429 118.637 119.070 -0.007 0.000 2.428 255 H HA -0.044 4.513 4.556 0.001 0.000 0.296 255 H C 2.203 177.730 175.328 0.332 0.000 1.062 255 H CA 1.047 57.203 56.048 0.181 0.000 1.350 255 H CB 0.345 30.230 29.762 0.205 0.000 1.403 255 H HN 0.147 nan 8.280 nan 0.000 0.533 256 Q N 0.965 120.913 119.800 0.247 0.000 2.020 256 Q HA -0.196 4.144 4.340 0.001 0.000 0.202 256 Q C 2.581 178.608 176.000 0.044 0.000 0.982 256 Q CA 1.623 57.454 55.803 0.046 0.000 0.838 256 Q CB -0.098 28.617 28.738 -0.040 0.000 0.899 256 Q HN 0.338 nan 8.270 nan 0.000 0.423 257 R N 0.037 120.515 120.500 -0.037 0.000 2.113 257 R HA -0.213 4.128 4.340 0.001 0.000 0.244 257 R C 1.220 177.535 176.300 0.024 0.000 1.142 257 R CA 2.151 58.224 56.100 -0.044 0.000 0.953 257 R CB -0.302 29.940 30.300 -0.097 0.000 0.860 257 R HN 0.435 nan 8.270 nan 0.000 0.438 258 D N -0.391 120.071 120.400 0.103 0.000 2.194 258 D HA -0.134 4.507 4.640 0.001 0.000 0.204 258 D C 1.624 178.044 176.300 0.200 0.000 0.964 258 D CA 0.772 54.848 54.000 0.127 0.000 0.846 258 D CB -0.374 40.493 40.800 0.112 0.000 0.962 258 D HN 0.221 nan 8.370 nan 0.000 0.490 259 F N 1.952 122.012 119.950 0.183 0.000 2.102 259 F HA -0.116 4.412 4.527 0.001 0.000 0.298 259 F C 2.118 177.911 175.800 -0.011 0.000 1.105 259 F CA 0.987 59.105 58.000 0.196 0.000 1.239 259 F CB -0.476 38.710 39.000 0.311 0.000 0.991 259 F HN -0.191 nan 8.300 nan 0.000 0.474 260 I N 0.574 120.976 120.570 -0.279 0.000 2.127 260 I HA -0.359 3.812 4.170 0.001 0.000 0.241 260 I C 2.763 178.705 176.117 -0.292 0.000 1.075 260 I CA 1.490 62.543 61.300 -0.411 0.000 1.334 260 I CB -1.192 36.671 38.000 -0.228 0.000 1.040 260 I HN 0.269 nan 8.210 nan 0.000 0.405 261 A N 0.969 123.744 122.820 -0.075 0.000 1.841 261 A HA -0.214 4.106 4.320 0.001 0.000 0.216 261 A C 2.424 179.993 177.584 -0.025 0.000 1.199 261 A CA 1.739 53.799 52.037 0.037 0.000 0.621 261 A CB -0.557 18.469 19.000 0.044 0.000 0.835 261 A HN 0.264 nan 8.150 nan 0.000 0.445 262 R N -0.232 120.247 120.500 -0.036 0.000 2.062 262 R HA -0.038 4.303 4.340 0.001 0.000 0.229 262 R C 1.317 177.564 176.300 -0.090 0.000 1.128 262 R CA 1.679 57.764 56.100 -0.024 0.000 0.960 262 R CB -0.719 29.596 30.300 0.025 0.000 0.855 262 R HN 0.661 nan 8.270 nan 0.000 0.432 263 D N -0.327 119.963 120.400 -0.184 0.000 2.943 263 D HA -0.027 4.613 4.640 0.001 0.000 0.282 263 D C 1.941 177.952 176.300 -0.483 0.000 1.148 263 D CA 0.013 53.884 54.000 -0.214 0.000 1.006 263 D CB -0.329 40.518 40.800 0.078 0.000 1.168 263 D HN -0.052 nan 8.370 nan 0.000 0.450 264 L N 1.883 122.545 121.223 -0.935 0.000 2.044 264 L HA 0.104 4.444 4.340 0.001 0.000 0.205 264 L C 2.189 178.582 176.870 -0.796 0.000 1.075 264 L CA 2.097 56.336 54.840 -1.003 0.000 0.747 264 L CB -1.040 40.111 42.059 -1.514 0.000 0.903 264 L HN 0.079 nan 8.230 nan 0.000 0.435 265 G N -0.428 107.797 108.800 -0.958 0.000 2.453 265 G HA2 -0.190 3.770 3.960 0.001 0.000 0.215 265 G HA3 -0.190 3.770 3.960 0.001 0.000 0.215 265 G C -0.540 173.651 174.900 -1.181 0.000 1.201 265 G CA 0.892 45.130 45.100 -1.436 0.000 0.784 265 G HN 0.350 nan 8.290 nan 0.000 0.545 266 P HA -0.125 nan 4.420 nan 0.000 0.215 266 P C 2.113 179.278 177.300 -0.224 0.000 1.163 266 P CA 2.289 65.186 63.100 -0.340 0.000 0.894 266 P CB -0.320 31.257 31.700 -0.204 0.000 0.791 267 T N -0.694 113.713 114.554 -0.245 0.000 2.746 267 T HA -0.120 4.231 4.350 0.001 0.000 0.267 267 T C 1.819 176.447 174.700 -0.120 0.000 1.039 267 T CA 1.071 63.083 62.100 -0.147 0.000 1.142 267 T CB -0.928 67.860 68.868 -0.133 0.000 0.866 267 T HN 0.040 nan 8.240 nan 0.000 0.444 268 L N 0.512 121.627 121.223 -0.181 0.000 2.056 268 L HA -0.041 4.299 4.340 0.001 0.000 0.207 268 L C 2.985 179.844 176.870 -0.018 0.000 1.078 268 L CA 1.145 55.925 54.840 -0.101 0.000 0.749 268 L CB -0.574 41.379 42.059 -0.177 0.000 0.901 268 L HN 0.253 nan 8.230 nan 0.000 0.433 269 A N 0.017 122.812 122.820 -0.042 0.000 1.908 269 A HA -0.281 4.040 4.320 0.001 0.000 0.218 269 A C 1.957 179.547 177.584 0.011 0.000 1.181 269 A CA 2.181 54.245 52.037 0.045 0.000 0.627 269 A CB -0.754 18.309 19.000 0.107 0.000 0.818 269 A HN 0.486 nan 8.150 nan 0.000 0.445 270 N N -0.110 118.578 118.700 -0.020 0.000 2.571 270 N HA -0.034 4.706 4.740 0.001 0.000 0.189 270 N C 0.540 176.040 175.510 -0.016 0.000 1.154 270 N CA 0.882 53.916 53.050 -0.026 0.000 0.907 270 N CB -0.286 38.184 38.487 -0.028 0.000 0.977 270 N HN 0.567 nan 8.380 nan 0.000 0.449 271 S N -2.419 113.287 115.700 0.010 0.000 2.739 271 S HA 0.270 4.741 4.470 0.001 0.000 0.306 271 S C 1.275 175.883 174.600 0.013 0.000 1.115 271 S CA -0.092 58.106 58.200 -0.004 0.000 0.985 271 S CB 0.801 64.007 63.200 0.010 0.000 1.133 271 S HN 0.218 nan 8.310 nan 0.000 0.541 272 T N -1.555 112.909 114.554 -0.151 0.000 3.113 272 T HA 0.016 4.367 4.350 0.001 0.000 0.263 272 T C 0.581 175.089 174.700 -0.321 0.000 1.143 272 T CA 0.738 62.727 62.100 -0.186 0.000 1.090 272 T CB -0.723 67.969 68.868 -0.294 0.000 0.922 272 T HN 0.740 nan 8.240 nan 0.000 0.521 273 H N 1.290 120.362 119.070 0.004 0.000 2.605 273 H HA 0.201 4.757 4.556 0.001 0.000 0.308 273 H C 1.364 176.640 175.328 -0.086 0.000 1.080 273 H CA 0.230 56.240 56.048 -0.062 0.000 1.119 273 H CB -0.496 29.253 29.762 -0.021 0.000 1.479 273 H HN 0.842 nan 8.280 nan 0.000 0.537 274 H N -1.134 117.954 119.070 0.029 0.000 2.462 274 H HA -0.003 4.553 4.556 0.001 0.000 0.292 274 H C 1.294 176.629 175.328 0.010 0.000 1.049 274 H CA 0.718 56.771 56.048 0.009 0.000 1.334 274 H CB 0.137 29.896 29.762 -0.006 0.000 1.404 274 H HN 0.030 nan 8.280 nan 0.000 0.544 275 N N 1.068 119.556 118.700 -0.352 0.000 2.381 275 N HA -0.042 4.698 4.740 0.001 0.000 0.182 275 N C -0.020 175.434 175.510 -0.094 0.000 1.025 275 N CA 0.528 53.475 53.050 -0.172 0.000 0.888 275 N CB -0.063 38.298 38.487 -0.209 0.000 0.965 275 N HN 0.204 nan 8.380 nan 0.000 0.438 276 V N 3.476 123.347 119.914 -0.071 0.000 2.540 276 V HA -0.042 4.078 4.120 0.001 0.000 0.297 276 V C 0.859 176.852 176.094 -0.167 0.000 1.024 276 V CA -0.061 62.184 62.300 -0.091 0.000 1.105 276 V CB 0.239 32.041 31.823 -0.035 0.000 0.938 276 V HN 0.141 nan 8.190 nan 0.000 0.482 277 R N 3.517 123.829 120.500 -0.314 0.000 2.582 277 R HA 0.480 4.820 4.340 0.001 0.000 0.271 277 R C -0.501 175.609 176.300 -0.316 0.000 1.078 277 R CA -0.840 55.053 56.100 -0.345 0.000 1.127 277 R CB 0.669 30.605 30.300 -0.607 0.000 1.038 277 R HN 0.512 nan 8.270 nan 0.000 0.500 278 L N 2.793 123.897 121.223 -0.199 0.000 2.305 278 L HA 0.412 4.753 4.340 0.001 0.000 0.284 278 L C -1.052 175.718 176.870 -0.168 0.000 1.013 278 L CA -0.238 54.480 54.840 -0.203 0.000 0.819 278 L CB 1.074 43.020 42.059 -0.187 0.000 1.227 278 L HN 0.416 nan 8.230 nan 0.000 0.417 279 L N 5.867 126.966 121.223 -0.207 0.000 2.309 279 L HA 0.575 4.916 4.340 0.001 0.000 0.282 279 L C 0.304 177.089 176.870 -0.141 0.000 1.036 279 L CA -0.699 54.046 54.840 -0.159 0.000 0.806 279 L CB 1.616 43.565 42.059 -0.184 0.000 1.220 279 L HN 0.754 nan 8.230 nan 0.000 0.429 280 M N 1.854 121.387 119.600 -0.111 0.000 2.527 280 M HA 0.541 5.022 4.480 0.001 0.000 0.283 280 M C 0.606 176.836 176.300 -0.117 0.000 1.188 280 M CA -0.354 54.889 55.300 -0.094 0.000 0.941 280 M CB 1.291 33.860 32.600 -0.052 0.000 1.498 280 M HN 0.471 nan 8.290 nan 0.000 0.510 281 L N 0.386 121.535 121.223 -0.125 0.000 4.155 281 L HA -0.364 3.976 4.340 0.001 0.000 0.053 281 L C 0.255 176.833 176.870 -0.486 0.000 4.015 281 L CA 3.106 57.715 54.840 -0.385 0.000 0.957 281 L CB -1.821 40.049 42.059 -0.315 0.000 3.356 281 L HN 1.212 nan 8.230 nan 0.000 0.924 282 D N 0.314 120.475 120.400 -0.397 0.000 2.718 282 D HA -0.068 4.572 4.640 0.001 0.000 0.242 282 D C -0.482 175.247 176.300 -0.952 0.000 1.123 282 D CA 1.367 55.083 54.000 -0.472 0.000 0.690 282 D CB -0.874 39.713 40.800 -0.355 0.000 1.059 282 D HN 0.764 nan 8.370 nan 0.000 0.429 283 D N -0.826 119.046 120.400 -0.881 0.000 2.692 283 D HA 0.163 4.804 4.640 0.001 0.000 0.303 283 D C -0.358 175.609 176.300 -0.554 0.000 1.278 283 D CA -0.441 53.031 54.000 -0.881 0.000 0.852 283 D CB 0.737 41.054 40.800 -0.805 0.000 1.375 283 D HN -0.087 nan 8.370 nan 0.000 0.453 284 Q N 0.559 120.116 119.800 -0.404 0.000 2.414 284 Q HA 0.026 4.367 4.340 0.001 0.000 0.288 284 Q C 1.132 176.955 176.000 -0.294 0.000 1.086 284 Q CA 0.453 56.098 55.803 -0.262 0.000 0.943 284 Q CB 0.321 28.941 28.738 -0.196 0.000 1.282 284 Q HN 0.506 nan 8.270 nan 0.000 0.438 285 R N 1.774 122.091 120.500 -0.304 0.000 2.275 285 R HA 0.008 4.348 4.340 0.001 0.000 0.199 285 R C 1.649 177.833 176.300 -0.193 0.000 0.989 285 R CA 0.313 56.246 56.100 -0.278 0.000 1.016 285 R CB -0.463 29.616 30.300 -0.369 0.000 0.918 285 R HN 0.620 nan 8.270 nan 0.000 0.473 286 L N -0.224 120.895 121.223 -0.174 0.000 2.450 286 L HA -0.018 4.323 4.340 0.001 0.000 0.224 286 L C 1.209 178.040 176.870 -0.065 0.000 1.149 286 L CA 1.474 56.249 54.840 -0.108 0.000 0.816 286 L CB -0.499 41.501 42.059 -0.098 0.000 0.932 286 L HN 0.241 nan 8.230 nan 0.000 0.449 287 L N 0.249 121.409 121.223 -0.106 0.000 2.591 287 L HA 0.216 4.557 4.340 0.001 0.000 0.228 287 L C 0.765 177.696 176.870 0.102 0.000 1.133 287 L CA -0.032 54.789 54.840 -0.031 0.000 0.880 287 L CB 0.082 41.946 42.059 -0.325 0.000 1.033 287 L HN 0.220 nan 8.230 nan 0.000 0.450 288 L N 0.003 121.247 121.223 0.035 0.000 2.325 288 L HA 0.284 4.625 4.340 0.001 0.000 0.278 288 L C -1.508 175.413 176.870 0.085 0.000 1.023 288 L CA -1.671 53.213 54.840 0.073 0.000 0.811 288 L CB 1.617 43.687 42.059 0.018 0.000 1.249 288 L HN -0.212 nan 8.230 nan 0.000 0.431 289 P HA -0.081 nan 4.420 nan 0.000 0.225 289 P C 1.130 178.542 177.300 0.187 0.000 1.156 289 P CA 0.708 63.906 63.100 0.164 0.000 0.787 289 P CB 0.159 31.957 31.700 0.163 0.000 0.802 290 H N -1.009 118.133 119.070 0.121 0.000 2.255 290 H HA -0.222 4.335 4.556 0.001 0.000 0.290 290 H C 1.555 176.952 175.328 0.115 0.000 1.087 290 H CA 2.215 58.330 56.048 0.111 0.000 1.213 290 H CB -1.034 28.785 29.762 0.095 0.000 1.349 290 H HN 0.038 nan 8.280 nan 0.000 0.487 291 W N 0.496 121.687 121.300 -0.181 0.000 2.321 291 W HA -0.210 4.450 4.660 0.001 0.000 0.306 291 W C 2.971 179.335 176.519 -0.258 0.000 1.217 291 W CA 2.490 59.694 57.345 -0.235 0.000 1.257 291 W CB -0.930 28.450 29.460 -0.133 0.000 1.145 291 W HN 0.425 nan 8.180 nan 0.000 0.509 292 A N -0.178 122.646 122.820 0.007 0.000 1.902 292 A HA -0.223 4.098 4.320 0.001 0.000 0.217 292 A C 1.915 179.263 177.584 -0.393 0.000 1.181 292 A CA 1.999 53.898 52.037 -0.231 0.000 0.623 292 A CB -0.668 18.207 19.000 -0.208 0.000 0.818 292 A HN 0.322 nan 8.150 nan 0.000 0.443 293 K N -0.445 119.891 120.400 -0.107 0.000 2.057 293 K HA -0.077 4.244 4.320 0.001 0.000 0.207 293 K C 1.886 178.413 176.600 -0.122 0.000 1.049 293 K CA 1.447 57.762 56.287 0.046 0.000 0.931 293 K CB -0.386 32.191 32.500 0.129 0.000 0.714 293 K HN 0.310 nan 8.250 nan 0.000 0.440 294 V N 0.821 120.561 119.914 -0.289 0.000 2.237 294 V HA -0.242 3.879 4.120 0.001 0.000 0.245 294 V C 2.242 178.193 176.094 -0.239 0.000 1.046 294 V CA 1.701 63.818 62.300 -0.305 0.000 1.007 294 V CB -0.421 31.103 31.823 -0.499 0.000 0.638 294 V HN 0.087 nan 8.190 nan 0.000 0.445 295 V N -0.463 119.292 119.914 -0.266 0.000 2.358 295 V HA -0.167 3.954 4.120 0.001 0.000 0.246 295 V C 2.145 178.118 176.094 -0.201 0.000 1.047 295 V CA 1.791 63.966 62.300 -0.209 0.000 1.035 295 V CB -0.451 31.268 31.823 -0.174 0.000 0.658 295 V HN 0.430 nan 8.190 nan 0.000 0.452 296 L N 0.275 121.311 121.223 -0.311 0.000 2.375 296 L HA -0.008 4.332 4.340 0.001 0.000 0.215 296 L C 2.467 179.273 176.870 -0.108 0.000 1.108 296 L CA 1.286 55.919 54.840 -0.346 0.000 0.830 296 L CB -0.590 40.964 42.059 -0.841 0.000 0.959 296 L HN 0.511 nan 8.230 nan 0.000 0.457 297 T N -4.245 110.300 114.554 -0.015 0.000 3.160 297 T HA -0.073 4.278 4.350 0.001 0.000 0.257 297 T C 0.634 175.338 174.700 0.006 0.000 1.147 297 T CA -0.043 62.103 62.100 0.077 0.000 1.064 297 T CB -0.300 68.629 68.868 0.103 0.000 0.949 297 T HN 0.031 nan 8.240 nan 0.000 0.526 298 D N 2.144 122.523 120.400 -0.035 0.000 2.396 298 D HA 0.285 4.925 4.640 0.001 0.000 0.225 298 D C -1.934 174.340 176.300 -0.044 0.000 1.121 298 D CA -2.609 51.368 54.000 -0.038 0.000 0.853 298 D CB 1.954 42.724 40.800 -0.050 0.000 1.043 298 D HN 0.004 nan 8.370 nan 0.000 0.500 299 P HA -0.106 nan 4.420 nan 0.000 0.218 299 P C 0.950 178.195 177.300 -0.091 0.000 1.149 299 P CA 0.787 63.851 63.100 -0.060 0.000 0.817 299 P CB 0.465 32.135 31.700 -0.050 0.000 0.785 300 E N -0.363 119.797 120.200 -0.066 0.000 2.153 300 E HA -0.108 4.242 4.350 0.001 0.000 0.194 300 E C 1.956 178.551 176.600 -0.009 0.000 0.988 300 E CA 1.398 57.764 56.400 -0.057 0.000 0.811 300 E CB -0.995 28.700 29.700 -0.009 0.000 0.746 300 E HN 0.236 nan 8.360 nan 0.000 0.466 301 A N 1.373 124.190 122.820 -0.005 0.000 1.861 301 A HA 0.183 4.504 4.320 0.001 0.000 0.212 301 A C 2.421 180.003 177.584 -0.004 0.000 1.199 301 A CA 1.419 53.474 52.037 0.029 0.000 0.613 301 A CB -0.642 18.343 19.000 -0.025 0.000 0.846 301 A HN 0.243 nan 8.150 nan 0.000 0.446 302 A N 1.474 124.254 122.820 -0.067 0.000 1.948 302 A HA -0.228 4.093 4.320 0.001 0.000 0.220 302 A C 2.051 179.572 177.584 -0.105 0.000 1.177 302 A CA 2.081 54.068 52.037 -0.084 0.000 0.636 302 A CB -0.693 18.260 19.000 -0.078 0.000 0.815 302 A HN 0.683 nan 8.150 nan 0.000 0.449 303 K N -1.576 118.702 120.400 -0.203 0.000 2.286 303 K HA -0.209 4.112 4.320 0.001 0.000 0.203 303 K C 1.345 177.774 176.600 -0.284 0.000 1.045 303 K CA 1.933 58.031 56.287 -0.315 0.000 0.935 303 K CB -0.506 31.685 32.500 -0.515 0.000 0.737 303 K HN 0.681 nan 8.250 nan 0.000 0.460 304 Y N 0.938 121.191 120.300 -0.078 0.000 2.458 304 Y HA 0.152 4.703 4.550 0.001 0.000 0.254 304 Y C 0.443 176.282 175.900 -0.102 0.000 1.120 304 Y CA -0.791 57.250 58.100 -0.099 0.000 1.282 304 Y CB 1.292 39.668 38.460 -0.140 0.000 1.109 304 Y HN -0.214 nan 8.280 nan 0.000 0.526 305 V N 0.612 120.555 119.914 0.047 0.000 2.328 305 V HA 0.040 4.161 4.120 0.001 0.000 0.278 305 V C 0.496 176.596 176.094 0.009 0.000 1.021 305 V CA -0.405 61.889 62.300 -0.009 0.000 0.838 305 V CB 0.995 32.781 31.823 -0.061 0.000 0.999 305 V HN 0.306 nan 8.190 nan 0.000 0.447 306 H N 4.091 123.121 119.070 -0.067 0.000 2.436 306 H HA 0.365 4.921 4.556 0.001 0.000 0.294 306 H C 0.823 176.138 175.328 -0.021 0.000 1.048 306 H CA 1.249 57.271 56.048 -0.044 0.000 1.353 306 H CB 0.552 30.275 29.762 -0.064 0.000 1.414 306 H HN 0.744 nan 8.280 nan 0.000 0.536 307 G N -0.822 107.881 108.800 -0.162 0.000 2.645 307 G HA2 0.448 4.409 3.960 0.001 0.000 0.292 307 G HA3 0.448 4.409 3.960 0.001 0.000 0.292 307 G C -1.610 173.247 174.900 -0.070 0.000 1.415 307 G CA -0.744 44.262 45.100 -0.157 0.000 0.785 307 G HN 0.136 nan 8.290 nan 0.000 0.483 308 I N 1.309 121.871 120.570 -0.014 0.000 2.355 308 I HA 0.555 4.726 4.170 0.001 0.000 0.288 308 I C 0.586 176.733 176.117 0.050 0.000 0.999 308 I CA -0.605 60.690 61.300 -0.008 0.000 1.163 308 I CB 1.860 39.857 38.000 -0.004 0.000 1.316 308 I HN 0.607 nan 8.210 nan 0.000 0.454 309 A N 6.701 129.531 122.820 0.016 0.000 2.331 309 A HA 0.729 5.049 4.320 0.001 0.000 0.283 309 A C -0.242 177.345 177.584 0.006 0.000 1.142 309 A CA -0.451 51.644 52.037 0.097 0.000 0.812 309 A CB 0.793 19.844 19.000 0.086 0.000 1.074 309 A HN 0.634 nan 8.150 nan 0.000 0.497 310 V N 1.040 120.993 119.914 0.064 0.000 2.680 310 V HA 0.573 4.694 4.120 0.001 0.000 0.309 310 V C -0.405 175.747 176.094 0.098 0.000 1.052 310 V CA -0.747 61.540 62.300 -0.022 0.000 0.908 310 V CB 1.211 32.986 31.823 -0.080 0.000 1.001 310 V HN 0.899 nan 8.190 nan 0.000 0.431 311 H N 2.365 121.295 119.070 -0.232 0.000 2.502 311 H HA 0.355 4.912 4.556 0.001 0.000 0.327 311 H C -1.503 173.692 175.328 -0.222 0.000 1.099 311 H CA -0.338 55.582 56.048 -0.215 0.000 1.323 311 H CB 1.564 31.178 29.762 -0.248 0.000 1.450 311 H HN 0.749 nan 8.280 nan 0.000 0.502 312 W N 3.710 124.944 121.300 -0.110 0.000 2.291 312 W HA 0.201 4.861 4.660 0.001 0.000 0.312 312 W C -0.789 175.833 176.519 0.171 0.000 1.061 312 W CA -0.493 56.838 57.345 -0.023 0.000 1.296 312 W CB 0.390 29.746 29.460 -0.174 0.000 1.223 312 W HN 0.543 nan 8.180 nan 0.000 0.421 313 Y N 5.984 126.383 120.300 0.164 0.000 2.662 313 Y HA 0.358 4.909 4.550 0.001 0.000 0.358 313 Y C -0.027 176.107 175.900 0.390 0.000 1.041 313 Y CA -0.401 57.845 58.100 0.243 0.000 1.184 313 Y CB 0.319 38.902 38.460 0.203 0.000 1.114 313 Y HN 0.430 nan 8.280 nan 0.000 0.650 314 L N 1.560 122.788 121.223 0.008 0.000 4.379 314 L HA 0.204 4.545 4.340 0.001 0.000 0.437 314 L C -0.353 176.533 176.870 0.027 0.000 0.984 314 L CA 0.547 55.496 54.840 0.181 0.000 1.693 314 L CB 0.548 42.754 42.059 0.245 0.000 1.966 314 L HN 0.404 nan 8.230 nan 0.000 0.629 315 D N -0.669 119.598 120.400 -0.221 0.000 2.722 315 D HA 0.255 4.896 4.640 0.001 0.000 0.239 315 D C 0.667 176.487 176.300 -0.800 0.000 1.249 315 D CA -0.029 53.738 54.000 -0.388 0.000 0.830 315 D CB -0.035 40.516 40.800 -0.415 0.000 1.025 315 D HN 0.266 nan 8.370 nan 0.000 0.486 316 F N -0.306 119.628 119.950 -0.027 0.000 2.376 316 F HA 0.404 4.931 4.527 0.001 0.000 0.234 316 F C 0.633 176.458 175.800 0.043 0.000 1.010 316 F CA -0.726 57.277 58.000 0.005 0.000 1.100 316 F CB -0.148 38.845 39.000 -0.012 0.000 1.360 316 F HN -0.052 nan 8.300 nan 0.000 0.649 317 L N -0.475 120.871 121.223 0.205 0.000 2.260 317 L HA 0.789 5.129 4.340 0.001 0.000 0.265 317 L C -0.271 176.616 176.870 0.029 0.000 1.015 317 L CA -1.139 53.783 54.840 0.137 0.000 0.826 317 L CB 1.256 43.320 42.059 0.008 0.000 1.373 317 L HN 0.249 nan 8.230 nan 0.000 0.450 318 A N 1.788 124.572 122.820 -0.059 0.000 2.507 318 A HA 0.399 4.720 4.320 0.001 0.000 0.235 318 A C -2.303 175.231 177.584 -0.084 0.000 1.070 318 A CA -0.684 51.313 52.037 -0.067 0.000 0.768 318 A CB -1.186 17.756 19.000 -0.097 0.000 1.011 318 A HN 0.516 nan 8.150 nan 0.000 0.502 319 P HA 0.148 nan 4.420 nan 0.000 0.266 319 P C 0.627 177.839 177.300 -0.146 0.000 1.195 319 P CA 0.662 63.727 63.100 -0.058 0.000 0.768 319 P CB 0.849 32.531 31.700 -0.031 0.000 0.838 320 A N 3.934 126.630 122.820 -0.207 0.000 1.898 320 A HA -0.175 4.145 4.320 0.001 0.000 0.216 320 A C 2.187 179.392 177.584 -0.633 0.000 1.181 320 A CA 1.640 53.430 52.037 -0.410 0.000 0.620 320 A CB -0.879 17.830 19.000 -0.484 0.000 0.819 320 A HN 0.600 nan 8.150 nan 0.000 0.442 321 K N -0.282 119.749 120.400 -0.615 0.000 2.057 321 K HA -0.016 4.305 4.320 0.001 0.000 0.206 321 K C 1.897 178.416 176.600 -0.135 0.000 1.050 321 K CA 1.165 57.204 56.287 -0.413 0.000 0.935 321 K CB -0.269 32.156 32.500 -0.125 0.000 0.715 321 K HN 0.344 nan 8.250 nan 0.000 0.439 322 A N 0.290 123.050 122.820 -0.101 0.000 2.167 322 A HA -0.030 4.291 4.320 0.001 0.000 0.214 322 A C 1.748 179.320 177.584 -0.020 0.000 1.151 322 A CA 1.463 53.481 52.037 -0.032 0.000 0.735 322 A CB -0.331 18.656 19.000 -0.022 0.000 0.802 322 A HN 0.621 nan 8.150 nan 0.000 0.467 323 T N -2.850 111.670 114.554 -0.057 0.000 3.391 323 T HA 0.206 4.557 4.350 0.001 0.000 0.233 323 T C 1.762 176.467 174.700 0.008 0.000 0.960 323 T CA 0.551 62.629 62.100 -0.037 0.000 1.342 323 T CB -0.617 68.191 68.868 -0.100 0.000 1.124 323 T HN 0.099 nan 8.240 nan 0.000 0.396 324 L N 1.306 122.520 121.223 -0.016 0.000 2.093 324 L HA 0.200 4.540 4.340 0.001 0.000 0.208 324 L C 3.045 180.053 176.870 0.230 0.000 1.085 324 L CA 1.480 56.383 54.840 0.104 0.000 0.755 324 L CB -0.829 41.303 42.059 0.122 0.000 0.904 324 L HN 0.583 nan 8.230 nan 0.000 0.435 325 G N -0.588 108.308 108.800 0.159 0.000 2.396 325 G HA2 -0.239 3.721 3.960 0.001 0.000 0.214 325 G HA3 -0.239 3.721 3.960 0.001 0.000 0.214 325 G C 1.474 176.532 174.900 0.263 0.000 1.166 325 G CA 0.456 45.766 45.100 0.351 0.000 0.793 325 G HN 0.268 nan 8.290 nan 0.000 0.533 326 E N 0.393 120.681 120.200 0.148 0.000 2.152 326 E HA -0.031 4.319 4.350 0.001 0.000 0.192 326 E C 2.523 179.197 176.600 0.123 0.000 0.983 326 E CA 1.352 57.820 56.400 0.112 0.000 0.818 326 E CB -0.377 29.367 29.700 0.074 0.000 0.758 326 E HN 0.287 nan 8.360 nan 0.000 0.467 327 T N -0.181 114.473 114.554 0.167 0.000 2.821 327 T HA -0.145 4.206 4.350 0.001 0.000 0.267 327 T C 1.562 176.395 174.700 0.223 0.000 1.046 327 T CA 1.235 63.469 62.100 0.223 0.000 1.139 327 T CB -0.404 68.584 68.868 0.199 0.000 0.871 327 T HN 0.364 nan 8.240 nan 0.000 0.454 328 H N 1.271 120.406 119.070 0.109 0.000 2.357 328 H HA 0.043 4.600 4.556 0.001 0.000 0.301 328 H C 2.628 177.928 175.328 -0.048 0.000 1.082 328 H CA 1.392 57.439 56.048 -0.001 0.000 1.342 328 H CB -0.004 29.638 29.762 -0.201 0.000 1.389 328 H HN 0.211 nan 8.280 nan 0.000 0.511 329 R N 0.259 120.741 120.500 -0.031 0.000 2.091 329 R HA -0.104 4.237 4.340 0.001 0.000 0.238 329 R C 2.666 178.834 176.300 -0.220 0.000 1.136 329 R CA 1.423 57.461 56.100 -0.102 0.000 0.959 329 R CB -0.061 30.241 30.300 0.002 0.000 0.856 329 R HN 0.314 nan 8.270 nan 0.000 0.437 330 L N -0.940 120.132 121.223 -0.251 0.000 2.179 330 L HA -0.005 4.336 4.340 0.001 0.000 0.208 330 L C 0.279 176.528 176.870 -1.035 0.000 1.096 330 L CA 0.760 55.236 54.840 -0.607 0.000 0.779 330 L CB 0.163 41.847 42.059 -0.624 0.000 0.922 330 L HN 0.086 nan 8.230 nan 0.000 0.443 331 F N -0.836 119.047 119.950 -0.111 0.000 2.646 331 F HA 0.299 4.827 4.527 0.001 0.000 0.336 331 F C -1.750 173.933 175.800 -0.195 0.000 1.437 331 F CA -1.502 56.429 58.000 -0.115 0.000 1.142 331 F CB 0.365 39.325 39.000 -0.066 0.000 1.530 331 F HN -0.191 nan 8.300 nan 0.000 0.591 332 P HA -0.094 nan 4.420 nan 0.000 0.228 332 P C 0.477 177.671 177.300 -0.177 0.000 1.151 332 P CA 1.228 64.030 63.100 -0.497 0.000 0.770 332 P CB 0.405 31.839 31.700 -0.442 0.000 0.786 333 N N -0.972 117.704 118.700 -0.041 0.000 2.203 333 N HA 0.057 4.797 4.740 0.001 0.000 0.207 333 N C -0.159 175.361 175.510 0.016 0.000 1.130 333 N CA 0.398 53.454 53.050 0.011 0.000 0.861 333 N CB 0.492 38.986 38.487 0.012 0.000 1.005 333 N HN 0.049 nan 8.380 nan 0.000 0.507 334 T N 2.275 116.845 114.554 0.028 0.000 2.772 334 T HA 0.338 4.689 4.350 0.001 0.000 0.288 334 T C 0.467 175.175 174.700 0.015 0.000 0.994 334 T CA -0.702 61.386 62.100 -0.020 0.000 0.951 334 T CB 1.053 69.907 68.868 -0.023 0.000 0.933 334 T HN 0.088 nan 8.240 nan 0.000 0.447 335 M N 3.394 122.963 119.600 -0.052 0.000 2.248 335 M HA 0.447 4.927 4.480 0.001 0.000 0.337 335 M C -0.875 175.495 176.300 0.117 0.000 1.121 335 M CA 0.200 55.533 55.300 0.055 0.000 1.155 335 M CB -0.190 32.429 32.600 0.032 0.000 1.514 335 M HN 0.343 nan 8.290 nan 0.000 0.452 336 L N 3.192 124.534 121.223 0.198 0.000 2.322 336 L HA 0.700 5.041 4.340 0.001 0.000 0.279 336 L C -0.997 176.052 176.870 0.298 0.000 1.036 336 L CA -0.314 54.657 54.840 0.219 0.000 0.807 336 L CB 1.220 43.413 42.059 0.223 0.000 1.226 336 L HN 0.817 nan 8.230 nan 0.000 0.433 337 F N 1.987 122.003 119.950 0.110 0.000 2.581 337 F HA 0.686 5.213 4.527 0.001 0.000 0.311 337 F C -0.478 175.377 175.800 0.093 0.000 1.113 337 F CA -0.705 57.364 58.000 0.115 0.000 0.935 337 F CB 1.543 40.648 39.000 0.175 0.000 1.232 337 F HN 0.423 nan 8.300 nan 0.000 0.445 338 A N 3.289 125.825 122.820 -0.473 0.000 2.279 338 A HA 0.457 4.777 4.320 0.001 0.000 0.306 338 A C 0.443 177.711 177.584 -0.527 0.000 1.300 338 A CA 0.240 52.080 52.037 -0.328 0.000 0.925 338 A CB 0.007 18.814 19.000 -0.321 0.000 1.152 338 A HN 0.976 nan 8.150 nan 0.000 0.544 339 S N 1.249 116.884 115.700 -0.109 0.000 2.517 339 S HA 0.238 4.709 4.470 0.001 0.000 0.214 339 S C 0.314 174.788 174.600 -0.210 0.000 0.991 339 S CA 0.254 58.495 58.200 0.069 0.000 0.906 339 S CB 0.163 63.535 63.200 0.287 0.000 0.789 339 S HN 0.769 nan 8.310 nan 0.000 0.513 340 E N -0.168 119.743 120.200 -0.482 0.000 2.406 340 E HA 0.576 4.926 4.350 0.001 0.000 0.297 340 E C -1.838 174.387 176.600 -0.625 0.000 0.917 340 E CA -0.332 55.667 56.400 -0.669 0.000 0.795 340 E CB 1.791 30.776 29.700 -1.191 0.000 1.285 340 E HN 0.365 nan 8.360 nan 0.000 0.400 341 A N 2.221 124.709 122.820 -0.553 0.000 2.413 341 A HA 0.927 5.247 4.320 0.001 0.000 0.307 341 A C -0.789 176.783 177.584 -0.020 0.000 1.087 341 A CA -0.452 51.380 52.037 -0.343 0.000 0.750 341 A CB 1.085 19.678 19.000 -0.678 0.000 1.296 341 A HN 0.832 nan 8.150 nan 0.000 0.423 342 C N -0.426 118.994 119.300 0.200 0.000 3.312 342 C HA 0.889 5.350 4.460 0.001 0.000 0.332 342 C C -0.870 174.348 174.990 0.381 0.000 1.340 342 C CA -0.272 58.971 59.018 0.376 0.000 1.265 342 C CB 0.727 28.706 27.740 0.399 0.000 1.563 342 C HN 1.830 nan 8.230 nan 0.000 0.471 343 V N -0.644 119.473 119.914 0.339 0.000 2.925 343 V HA 1.084 5.204 4.120 0.001 0.000 0.311 343 V C -0.063 176.098 176.094 0.112 0.000 1.104 343 V CA 0.282 62.694 62.300 0.187 0.000 0.954 343 V CB 1.116 33.042 31.823 0.171 0.000 1.022 343 V HN 2.286 nan 8.190 nan 0.000 0.427 344 G N 0.704 109.534 108.800 0.049 0.000 2.579 344 G HA2 0.558 4.518 3.960 0.001 0.000 0.292 344 G HA3 0.558 4.518 3.960 0.001 0.000 0.292 344 G C -0.705 174.196 174.900 0.001 0.000 1.484 344 G CA -0.108 45.005 45.100 0.022 0.000 0.813 344 G HN 0.854 nan 8.290 nan 0.000 0.515 345 S N -0.549 115.157 115.700 0.010 0.000 2.629 345 S HA 0.304 4.775 4.470 0.001 0.000 0.250 345 S C 1.014 175.400 174.600 -0.356 0.000 1.318 345 S CA -0.157 57.983 58.200 -0.101 0.000 0.970 345 S CB 0.251 63.454 63.200 0.005 0.000 0.996 345 S HN 0.518 nan 8.310 nan 0.000 0.563 346 K N 0.343 120.333 120.400 -0.684 0.000 2.318 346 K HA 0.175 4.495 4.320 0.001 0.000 0.243 346 K C 1.329 177.607 176.600 -0.536 0.000 1.047 346 K CA -0.135 55.747 56.287 -0.675 0.000 0.937 346 K CB -0.126 31.730 32.500 -1.074 0.000 1.225 346 K HN 0.620 nan 8.250 nan 0.000 0.506 347 F N -0.685 119.162 119.950 -0.172 0.000 2.449 347 F HA -0.114 4.413 4.527 0.001 0.000 0.299 347 F C 1.350 177.232 175.800 0.136 0.000 1.092 347 F CA 0.491 58.528 58.000 0.062 0.000 1.446 347 F CB -0.480 38.627 39.000 0.178 0.000 1.084 347 F HN 0.587 nan 8.300 nan 0.000 0.567 348 W N 0.984 121.936 121.300 -0.580 0.000 3.127 348 W HA 0.494 5.154 4.660 0.001 0.000 0.344 348 W C -0.477 175.930 176.519 -0.187 0.000 1.151 348 W CA -0.763 56.290 57.345 -0.487 0.000 1.765 348 W CB -0.687 28.328 29.460 -0.741 0.000 1.085 348 W HN -0.107 nan 8.180 nan 0.000 0.596 349 E N 1.526 121.517 120.200 -0.349 0.000 2.227 349 E HA 0.174 4.525 4.350 0.001 0.000 0.268 349 E C -0.443 176.097 176.600 -0.100 0.000 0.907 349 E CA -1.067 55.206 56.400 -0.211 0.000 0.786 349 E CB 1.787 31.264 29.700 -0.372 0.000 1.191 349 E HN -0.010 nan 8.360 nan 0.000 0.411 350 Q N 1.038 120.816 119.800 -0.037 0.000 2.304 350 Q HA -0.028 4.313 4.340 0.001 0.000 0.301 350 Q C 0.855 176.828 176.000 -0.045 0.000 1.063 350 Q CA 0.200 55.994 55.803 -0.015 0.000 0.947 350 Q CB 0.643 29.377 28.738 -0.008 0.000 1.201 350 Q HN 0.614 nan 8.270 nan 0.000 0.389 351 S N 1.033 116.738 115.700 0.009 0.000 2.390 351 S HA -0.174 4.297 4.470 0.001 0.000 0.234 351 S C 0.731 175.307 174.600 -0.040 0.000 1.063 351 S CA 1.086 59.295 58.200 0.016 0.000 1.108 351 S CB 0.019 63.253 63.200 0.057 0.000 0.975 351 S HN 0.481 nan 8.310 nan 0.000 0.442 352 V N 2.079 121.958 119.914 -0.059 0.000 2.417 352 V HA 0.442 4.562 4.120 0.001 0.000 0.291 352 V C -0.103 175.867 176.094 -0.205 0.000 1.024 352 V CA -0.571 61.664 62.300 -0.108 0.000 0.861 352 V CB 1.507 33.286 31.823 -0.074 0.000 0.985 352 V HN 0.236 nan 8.190 nan 0.000 0.436 353 R N 4.754 125.052 120.500 -0.336 0.000 2.422 353 R HA 0.511 4.852 4.340 0.001 0.000 0.307 353 R C -1.205 174.817 176.300 -0.463 0.000 1.004 353 R CA -0.668 55.001 56.100 -0.718 0.000 0.882 353 R CB 1.729 31.425 30.300 -1.008 0.000 1.164 353 R HN 0.597 nan 8.270 nan 0.000 0.489 354 L N 2.595 123.676 121.223 -0.236 0.000 2.385 354 L HA 0.207 4.548 4.340 0.001 0.000 0.281 354 L C 1.162 178.118 176.870 0.143 0.000 1.106 354 L CA 0.665 55.437 54.840 -0.114 0.000 0.856 354 L CB 0.951 42.711 42.059 -0.498 0.000 1.186 354 L HN 1.053 nan 8.230 nan 0.000 0.453 355 G N 1.932 110.799 108.800 0.110 0.000 2.131 355 G HA2 -0.269 3.691 3.960 0.001 0.000 0.223 355 G HA3 -0.269 3.691 3.960 0.001 0.000 0.223 355 G C 0.364 175.392 174.900 0.212 0.000 0.990 355 G CA 0.134 45.362 45.100 0.213 0.000 0.671 355 G HN 0.619 nan 8.290 nan 0.000 0.521 356 S N 0.302 116.048 115.700 0.077 0.000 2.465 356 S HA 0.198 4.669 4.470 0.001 0.000 0.307 356 S C 1.347 176.006 174.600 0.099 0.000 1.187 356 S CA 0.475 58.704 58.200 0.049 0.000 1.141 356 S CB -0.336 62.786 63.200 -0.128 0.000 1.108 356 S HN 0.460 nan 8.310 nan 0.000 0.525 357 W N 4.604 125.900 121.300 -0.007 0.000 2.342 357 W HA -0.202 4.458 4.660 0.001 0.000 0.297 357 W C 1.396 177.866 176.519 -0.082 0.000 1.213 357 W CA 1.911 59.245 57.345 -0.018 0.000 1.251 357 W CB -0.399 29.048 29.460 -0.021 0.000 1.136 357 W HN 0.905 nan 8.180 nan 0.000 0.526 358 D N -0.115 120.296 120.400 0.018 0.000 2.149 358 D HA -0.213 4.427 4.640 0.001 0.000 0.198 358 D C 2.192 178.395 176.300 -0.162 0.000 0.990 358 D CA 1.680 55.646 54.000 -0.057 0.000 0.839 358 D CB -0.160 40.646 40.800 0.010 0.000 0.948 358 D HN 0.048 nan 8.370 nan 0.000 0.460 359 R N -0.539 119.860 120.500 -0.169 0.000 2.115 359 R HA 0.071 4.412 4.340 0.001 0.000 0.226 359 R C 2.393 178.538 176.300 -0.259 0.000 1.100 359 R CA 0.968 56.976 56.100 -0.152 0.000 0.980 359 R CB -0.239 29.978 30.300 -0.139 0.000 0.875 359 R HN 0.248 nan 8.270 nan 0.000 0.445 360 G N 1.079 109.572 108.800 -0.512 0.000 2.434 360 G HA2 -0.254 3.707 3.960 0.001 0.000 0.214 360 G HA3 -0.254 3.707 3.960 0.001 0.000 0.214 360 G C 1.436 175.631 174.900 -1.176 0.000 1.202 360 G CA 0.532 45.089 45.100 -0.905 0.000 0.788 360 G HN 0.102 nan 8.290 nan 0.000 0.539 361 M N 0.182 119.046 119.600 -1.226 0.000 2.103 361 M HA -0.254 4.227 4.480 0.001 0.000 0.255 361 M C 2.778 178.988 176.300 -0.150 0.000 1.074 361 M CA 1.908 56.910 55.300 -0.498 0.000 1.090 361 M CB -0.615 31.847 32.600 -0.230 0.000 1.325 361 M HN 0.321 nan 8.290 nan 0.000 0.403 362 Q N -0.777 118.965 119.800 -0.096 0.000 2.096 362 Q HA -0.210 4.131 4.340 0.001 0.000 0.204 362 Q C 1.937 177.996 176.000 0.099 0.000 0.982 362 Q CA 1.722 57.563 55.803 0.063 0.000 0.850 362 Q CB -0.309 28.489 28.738 0.100 0.000 0.901 362 Q HN 0.488 nan 8.270 nan 0.000 0.422 363 Y N 0.728 120.945 120.300 -0.139 0.000 2.097 363 Y HA -0.267 4.283 4.550 0.001 0.000 0.282 363 Y C 2.906 178.559 175.900 -0.411 0.000 1.152 363 Y CA 1.527 59.510 58.100 -0.195 0.000 1.136 363 Y CB -0.735 37.670 38.460 -0.092 0.000 0.975 363 Y HN 0.212 nan 8.280 nan 0.000 0.498 364 S N -1.226 114.466 115.700 -0.013 0.000 2.371 364 S HA -0.239 4.232 4.470 0.001 0.000 0.224 364 S C 2.052 176.607 174.600 -0.075 0.000 1.029 364 S CA 1.320 59.560 58.200 0.067 0.000 0.978 364 S CB -1.056 62.444 63.200 0.501 0.000 0.833 364 S HN 0.623 nan 8.310 nan 0.000 0.466 365 H N 1.293 120.312 119.070 -0.086 0.000 2.353 365 H HA -0.109 4.448 4.556 0.001 0.000 0.298 365 H C 2.358 177.548 175.328 -0.230 0.000 1.103 365 H CA 1.928 57.924 56.048 -0.087 0.000 1.293 365 H CB -0.337 29.414 29.762 -0.019 0.000 1.372 365 H HN 0.609 nan 8.280 nan 0.000 0.501 366 S N -0.361 115.042 115.700 -0.494 0.000 2.446 366 S HA 0.015 4.485 4.470 0.001 0.000 0.225 366 S C 2.340 176.253 174.600 -1.145 0.000 1.016 366 S CA 0.400 58.129 58.200 -0.785 0.000 0.943 366 S CB -0.156 62.718 63.200 -0.544 0.000 0.786 366 S HN 0.410 nan 8.310 nan 0.000 0.508 367 I N 1.481 121.247 120.570 -1.340 0.000 2.179 367 I HA -0.157 4.014 4.170 0.001 0.000 0.242 367 I C 2.207 177.841 176.117 -0.804 0.000 1.088 367 I CA 1.360 61.832 61.300 -1.380 0.000 1.357 367 I CB -0.380 36.525 38.000 -1.825 0.000 1.051 367 I HN 0.332 nan 8.210 nan 0.000 0.409 368 I N 0.240 120.437 120.570 -0.621 0.000 2.163 368 I HA -0.306 3.864 4.170 0.001 0.000 0.243 368 I C 2.579 178.544 176.117 -0.254 0.000 1.085 368 I CA 1.653 62.780 61.300 -0.288 0.000 1.347 368 I CB -0.862 37.083 38.000 -0.092 0.000 1.044 368 I HN 0.233 nan 8.210 nan 0.000 0.408 369 T N 0.627 114.993 114.554 -0.313 0.000 2.665 369 T HA -0.219 4.132 4.350 0.001 0.000 0.268 369 T C 1.745 176.488 174.700 0.072 0.000 1.035 369 T CA 1.704 63.749 62.100 -0.091 0.000 1.151 369 T CB -0.526 68.301 68.868 -0.069 0.000 0.862 369 T HN 0.373 nan 8.240 nan 0.000 0.438 370 N N 0.735 119.397 118.700 -0.063 0.000 2.021 370 N HA -0.107 4.634 4.740 0.001 0.000 0.198 370 N C 1.957 177.473 175.510 0.010 0.000 1.041 370 N CA 1.419 54.514 53.050 0.075 0.000 0.862 370 N CB -0.355 38.094 38.487 -0.064 0.000 1.048 370 N HN 0.314 nan 8.380 nan 0.000 0.427 371 L N 1.317 122.479 121.223 -0.102 0.000 2.013 371 L HA -0.212 4.129 4.340 0.001 0.000 0.212 371 L C 2.359 179.100 176.870 -0.214 0.000 1.073 371 L CA 1.169 55.944 54.840 -0.108 0.000 0.753 371 L CB -0.608 41.406 42.059 -0.075 0.000 0.890 371 L HN 0.244 nan 8.230 nan 0.000 0.432 372 L N -1.667 119.392 121.223 -0.273 0.000 2.353 372 L HA -0.199 4.142 4.340 0.001 0.000 0.220 372 L C 0.705 177.025 176.870 -0.917 0.000 1.133 372 L CA 0.976 55.493 54.840 -0.538 0.000 0.798 372 L CB -0.281 41.496 42.059 -0.471 0.000 0.922 372 L HN 0.274 nan 8.230 nan 0.000 0.445 373 Y N -1.132 118.969 120.300 -0.332 0.000 2.669 373 Y HA 0.235 4.786 4.550 0.001 0.000 0.302 373 Y C 0.423 176.139 175.900 -0.307 0.000 1.000 373 Y CA -0.709 57.144 58.100 -0.412 0.000 1.222 373 Y CB -0.326 38.091 38.460 -0.072 0.000 1.209 373 Y HN 0.153 nan 8.280 nan 0.000 0.571 374 H N -2.954 116.077 119.070 -0.065 0.000 3.641 374 H HA -0.152 4.404 4.556 0.001 0.000 0.193 374 H C 0.113 175.460 175.328 0.031 0.000 1.013 374 H CA 0.582 56.575 56.048 -0.092 0.000 1.212 374 H CB -1.727 27.854 29.762 -0.302 0.000 1.089 374 H HN 0.129 nan 8.280 nan 0.000 0.339 375 V N 2.841 122.843 119.914 0.146 0.000 2.585 375 V HA 0.031 4.152 4.120 0.001 0.000 0.296 375 V C 2.076 178.210 176.094 0.067 0.000 1.035 375 V CA 0.713 63.091 62.300 0.131 0.000 1.084 375 V CB 1.426 33.333 31.823 0.141 0.000 0.953 375 V HN 0.352 nan 8.190 nan 0.000 0.483 376 V N 1.564 121.538 119.914 0.100 0.000 3.608 376 V HA 0.617 4.738 4.120 0.001 0.000 0.269 376 V C 0.753 176.819 176.094 -0.046 0.000 1.245 376 V CA 0.925 63.275 62.300 0.084 0.000 1.138 376 V CB -0.248 31.692 31.823 0.194 0.000 0.841 376 V HN 0.987 nan 8.190 nan 0.000 0.451 377 G N -1.344 107.323 108.800 -0.222 0.000 2.632 377 G HA2 0.462 4.423 3.960 0.001 0.000 0.292 377 G HA3 0.462 4.423 3.960 0.001 0.000 0.292 377 G C -2.534 171.875 174.900 -0.818 0.000 1.465 377 G CA -0.413 44.328 45.100 -0.598 0.000 0.824 377 G HN 0.374 nan 8.290 nan 0.000 0.509 378 W N 1.758 122.450 121.300 -1.013 0.000 2.968 378 W HA 0.629 5.289 4.660 0.001 0.000 0.337 378 W C -1.457 174.774 176.519 -0.481 0.000 1.060 378 W CA -0.718 56.215 57.345 -0.686 0.000 1.240 378 W CB 1.832 31.023 29.460 -0.449 0.000 1.370 378 W HN 0.841 nan 8.180 nan 0.000 0.459 379 T N 3.893 118.060 114.554 -0.645 0.000 2.840 379 T HA 0.237 4.588 4.350 0.001 0.000 0.287 379 T C -0.577 173.889 174.700 -0.389 0.000 0.991 379 T CA -0.269 61.630 62.100 -0.335 0.000 0.964 379 T CB 1.248 70.072 68.868 -0.074 0.000 0.954 379 T HN 0.420 nan 8.240 nan 0.000 0.438 380 D N 3.126 123.457 120.400 -0.114 0.000 2.363 380 D HA 0.167 4.808 4.640 0.001 0.000 0.240 380 D C 0.539 176.928 176.300 0.149 0.000 1.236 380 D CA -0.484 53.557 54.000 0.069 0.000 0.927 380 D CB 0.592 41.596 40.800 0.341 0.000 1.150 380 D HN 0.689 nan 8.370 nan 0.000 0.458 381 W N 0.989 122.254 121.300 -0.059 0.000 1.645 381 W HA 0.073 4.733 4.660 0.001 0.000 0.602 381 W C 0.448 176.906 176.519 -0.101 0.000 1.821 381 W CA -0.790 56.492 57.345 -0.105 0.000 2.025 381 W CB 0.059 29.428 29.460 -0.151 0.000 2.869 381 W HN 0.241 nan 8.180 nan 0.000 0.806 382 N N 2.584 120.926 118.700 -0.596 0.000 2.217 382 N HA -0.139 4.602 4.740 0.001 0.000 0.268 382 N C 0.874 176.250 175.510 -0.223 0.000 1.290 382 N CA 0.632 53.291 53.050 -0.652 0.000 0.831 382 N CB 0.721 38.634 38.487 -0.956 0.000 1.057 382 N HN 0.354 nan 8.380 nan 0.000 0.481 383 L N 1.097 122.247 121.223 -0.122 0.000 2.131 383 L HA -0.094 4.247 4.340 0.001 0.000 0.210 383 L C 1.023 177.965 176.870 0.120 0.000 1.092 383 L CA 0.952 55.794 54.840 0.003 0.000 0.759 383 L CB -0.096 41.950 42.059 -0.021 0.000 0.903 383 L HN 0.597 nan 8.230 nan 0.000 0.435 384 A N -0.735 122.081 122.820 -0.007 0.000 2.520 384 A HA 0.742 5.063 4.320 0.001 0.000 0.298 384 A C -1.162 176.377 177.584 -0.075 0.000 1.051 384 A CA -0.466 51.571 52.037 -0.000 0.000 0.690 384 A CB 1.496 20.498 19.000 0.003 0.000 1.281 384 A HN 0.009 nan 8.150 nan 0.000 0.402 385 L N 1.065 122.259 121.223 -0.048 0.000 2.341 385 L HA 0.496 4.837 4.340 0.001 0.000 0.254 385 L C 0.015 176.886 176.870 0.002 0.000 1.040 385 L CA -1.245 53.569 54.840 -0.042 0.000 0.837 385 L CB 2.202 44.224 42.059 -0.061 0.000 1.425 385 L HN 0.969 nan 8.230 nan 0.000 0.414 386 N N -0.028 118.685 118.700 0.020 0.000 2.381 386 N HA 0.228 4.968 4.740 0.001 0.000 0.254 386 N C -2.354 173.177 175.510 0.035 0.000 1.264 386 N CA -1.532 51.538 53.050 0.034 0.000 0.942 386 N CB -0.032 38.478 38.487 0.039 0.000 1.190 386 N HN 0.187 nan 8.380 nan 0.000 0.495 387 P HA -0.036 nan 4.420 nan 0.000 0.228 387 P C 0.145 177.454 177.300 0.016 0.000 1.151 387 P CA 1.137 64.251 63.100 0.022 0.000 0.770 387 P CB 0.195 31.917 31.700 0.036 0.000 0.786 388 E N -1.506 118.714 120.200 0.033 0.000 2.447 388 E HA 0.242 4.592 4.350 0.001 0.000 0.195 388 E C 1.363 177.990 176.600 0.046 0.000 1.028 388 E CA 0.622 57.046 56.400 0.039 0.000 0.876 388 E CB -0.558 29.170 29.700 0.046 0.000 0.885 388 E HN 0.112 nan 8.360 nan 0.000 0.500 389 G N -0.361 108.468 108.800 0.047 0.000 2.140 389 G HA2 -0.130 3.831 3.960 0.001 0.000 0.211 389 G HA3 -0.130 3.831 3.960 0.001 0.000 0.211 389 G C 0.386 175.378 174.900 0.153 0.000 1.013 389 G CA -0.140 45.003 45.100 0.071 0.000 0.705 389 G HN 0.542 nan 8.290 nan 0.000 0.508 390 G N -0.858 108.010 108.800 0.112 0.000 3.105 390 G HA2 0.882 4.842 3.960 0.001 0.000 0.277 390 G HA3 0.882 4.842 3.960 0.001 0.000 0.277 390 G C -3.018 171.945 174.900 0.105 0.000 1.375 390 G CA -0.944 44.225 45.100 0.114 0.000 0.962 390 G HN 0.189 nan 8.290 nan 0.000 0.541 391 P HA 0.177 nan 4.420 nan 0.000 0.279 391 P C -1.083 176.221 177.300 0.007 0.000 1.239 391 P CA -0.355 62.780 63.100 0.058 0.000 0.789 391 P CB 1.276 33.011 31.700 0.058 0.000 0.933 392 N N 3.031 121.663 118.700 -0.114 0.000 2.480 392 N HA 0.069 4.810 4.740 0.001 0.000 0.289 392 N C 1.075 176.481 175.510 -0.173 0.000 1.073 392 N CA -0.623 52.212 53.050 -0.359 0.000 0.885 392 N CB 1.122 39.206 38.487 -0.672 0.000 1.421 392 N HN 0.547 nan 8.380 nan 0.000 0.503 393 W N 4.525 125.718 121.300 -0.179 0.000 2.538 393 W HA -0.001 4.659 4.660 0.000 0.000 0.254 393 W C -0.468 176.010 176.519 -0.068 0.000 1.249 393 W CA 0.281 57.570 57.345 -0.092 0.000 1.253 393 W CB -0.413 29.012 29.460 -0.058 0.000 1.130 393 W HN 0.221 nan 8.180 nan 0.000 0.618 394 V N 0.485 119.997 119.914 -0.670 0.000 2.948 394 V HA 0.324 4.444 4.120 0.001 0.000 0.234 394 V C 0.508 176.433 176.094 -0.281 0.000 1.205 394 V CA 0.589 62.519 62.300 -0.616 0.000 1.234 394 V CB -0.047 31.300 31.823 -0.793 0.000 1.020 394 V HN 0.004 nan 8.190 nan 0.000 0.491 395 R N 0.817 121.175 120.500 -0.236 0.000 2.979 395 R HA 0.198 4.539 4.340 0.001 0.000 0.245 395 R C -1.786 174.566 176.300 0.087 0.000 1.104 395 R CA -0.528 55.540 56.100 -0.052 0.000 1.056 395 R CB 1.013 31.311 30.300 -0.004 0.000 1.265 395 R HN 0.339 nan 8.270 nan 0.000 0.470 396 N N 4.324 123.081 118.700 0.094 0.000 2.483 396 N HA 0.153 4.894 4.740 0.001 0.000 0.264 396 N C 0.160 175.876 175.510 0.344 0.000 1.197 396 N CA 0.225 53.368 53.050 0.155 0.000 0.927 396 N CB 0.132 38.677 38.487 0.096 0.000 1.065 396 N HN 0.548 nan 8.380 nan 0.000 0.461 397 F N -1.642 118.402 119.950 0.157 0.000 3.064 397 F HA 0.267 4.794 4.527 0.001 0.000 0.384 397 F C -0.358 175.577 175.800 0.224 0.000 1.083 397 F CA -0.773 57.336 58.000 0.181 0.000 1.037 397 F CB -0.299 38.833 39.000 0.219 0.000 1.322 397 F HN 0.160 nan 8.300 nan 0.000 0.535 398 V N -1.356 118.463 119.914 -0.158 0.000 2.914 398 V HA 0.669 4.790 4.120 0.001 0.000 0.314 398 V C -0.870 175.196 176.094 -0.046 0.000 1.084 398 V CA -0.586 61.655 62.300 -0.097 0.000 0.963 398 V CB 2.074 33.790 31.823 -0.178 0.000 1.025 398 V HN 0.055 nan 8.190 nan 0.000 0.432 399 D N 0.930 121.320 120.400 -0.017 0.000 2.451 399 D HA 0.686 5.327 4.640 0.001 0.000 0.259 399 D C -0.457 175.820 176.300 -0.038 0.000 1.201 399 D CA 0.116 54.093 54.000 -0.038 0.000 1.028 399 D CB 2.034 42.802 40.800 -0.053 0.000 1.095 399 D HN 0.931 nan 8.370 nan 0.000 0.539 400 S N -0.984 114.692 115.700 -0.041 0.000 2.533 400 S HA 0.430 4.900 4.470 0.001 0.000 0.271 400 S C -2.337 172.273 174.600 0.016 0.000 1.143 400 S CA -1.172 57.021 58.200 -0.012 0.000 0.891 400 S CB 1.726 64.897 63.200 -0.048 0.000 1.105 400 S HN 0.110 nan 8.310 nan 0.000 0.468 401 P HA 0.147 nan 4.420 nan 0.000 0.220 401 P C -0.315 177.054 177.300 0.115 0.000 1.148 401 P CA 1.022 64.199 63.100 0.128 0.000 0.803 401 P CB 0.045 31.923 31.700 0.296 0.000 0.782 402 I N -0.073 120.559 120.570 0.103 0.000 2.418 402 I HA 0.244 4.414 4.170 0.001 0.000 0.287 402 I C -0.371 175.780 176.117 0.056 0.000 1.008 402 I CA -0.929 60.389 61.300 0.030 0.000 1.104 402 I CB 1.996 39.946 38.000 -0.085 0.000 1.264 402 I HN -0.281 nan 8.210 nan 0.000 0.438 403 I N 7.049 127.678 120.570 0.100 0.000 2.378 403 I HA 0.357 4.527 4.170 0.001 0.000 0.291 403 I C -0.064 176.114 176.117 0.102 0.000 0.992 403 I CA -0.729 60.633 61.300 0.102 0.000 1.154 403 I CB 1.851 39.921 38.000 0.117 0.000 1.315 403 I HN 0.132 nan 8.210 nan 0.000 0.448 404 V N 5.490 125.435 119.914 0.052 0.000 2.394 404 V HA 0.254 4.375 4.120 0.001 0.000 0.282 404 V C -0.040 176.069 176.094 0.024 0.000 1.031 404 V CA -0.520 61.792 62.300 0.021 0.000 0.881 404 V CB 1.851 33.678 31.823 0.006 0.000 0.982 404 V HN 0.596 nan 8.190 nan 0.000 0.451 405 D N 4.334 124.720 120.400 -0.023 0.000 2.505 405 D HA 0.272 4.913 4.640 0.001 0.000 0.242 405 D C 1.262 177.569 176.300 0.011 0.000 1.136 405 D CA -0.418 53.597 54.000 0.025 0.000 0.954 405 D CB 0.701 41.544 40.800 0.072 0.000 1.002 405 D HN 0.532 nan 8.370 nan 0.000 0.512 406 I N 0.436 121.020 120.570 0.023 0.000 2.194 406 I HA -0.245 3.925 4.170 0.001 0.000 0.246 406 I C 2.116 178.248 176.117 0.025 0.000 1.093 406 I CA 1.606 62.920 61.300 0.022 0.000 1.355 406 I CB -1.246 36.768 38.000 0.023 0.000 1.046 406 I HN 0.249 nan 8.210 nan 0.000 0.413 407 T N -0.625 113.950 114.554 0.034 0.000 2.869 407 T HA -0.161 4.190 4.350 0.001 0.000 0.270 407 T C 1.435 176.156 174.700 0.035 0.000 1.082 407 T CA 1.534 63.656 62.100 0.036 0.000 1.123 407 T CB -0.431 68.464 68.868 0.045 0.000 0.856 407 T HN 0.590 nan 8.240 nan 0.000 0.499 408 K N 0.316 120.735 120.400 0.032 0.000 2.438 408 K HA 0.171 4.491 4.320 0.001 0.000 0.205 408 K C 0.156 176.758 176.600 0.004 0.000 1.033 408 K CA 0.198 56.501 56.287 0.026 0.000 1.089 408 K CB 0.427 32.953 32.500 0.044 0.000 0.857 408 K HN 0.163 nan 8.250 nan 0.000 0.522 409 D N 2.553 122.958 120.400 0.008 0.000 2.733 409 D HA -0.166 4.475 4.640 0.001 0.000 0.232 409 D C -0.641 175.654 176.300 -0.009 0.000 1.161 409 D CA 1.389 55.396 54.000 0.012 0.000 0.653 409 D CB -0.695 40.115 40.800 0.018 0.000 1.052 409 D HN 0.437 nan 8.370 nan 0.000 0.424 410 T N -1.566 112.949 114.554 -0.065 0.000 2.908 410 T HA 0.708 5.059 4.350 0.001 0.000 0.290 410 T C -0.240 174.307 174.700 -0.255 0.000 1.034 410 T CA -0.924 61.057 62.100 -0.198 0.000 1.010 410 T CB 1.450 70.151 68.868 -0.277 0.000 1.068 410 T HN 0.293 nan 8.240 nan 0.000 0.481 411 F N 0.248 119.938 119.950 -0.433 0.000 2.577 411 F HA 0.805 5.332 4.527 0.001 0.000 0.318 411 F C -1.851 173.638 175.800 -0.518 0.000 1.065 411 F CA -1.755 55.966 58.000 -0.465 0.000 0.929 411 F CB 1.252 40.103 39.000 -0.247 0.000 1.237 411 F HN 0.585 nan 8.300 nan 0.000 0.468 412 Y N 1.327 121.692 120.300 0.107 0.000 2.328 412 Y HA 0.451 5.002 4.550 0.001 0.000 0.336 412 Y C -0.417 175.493 175.900 0.016 0.000 0.960 412 Y CA -1.110 57.001 58.100 0.020 0.000 1.134 412 Y CB 1.920 40.383 38.460 0.005 0.000 1.166 412 Y HN 0.481 nan 8.280 nan 0.000 0.464 413 K N 4.266 124.737 120.400 0.118 0.000 2.310 413 K HA 0.159 4.480 4.320 0.001 0.000 0.290 413 K C -0.202 176.530 176.600 0.221 0.000 1.077 413 K CA -0.525 55.739 56.287 -0.039 0.000 0.922 413 K CB 0.553 32.838 32.500 -0.359 0.000 1.057 413 K HN 0.541 nan 8.250 nan 0.000 0.479 414 Q N 2.819 122.728 119.800 0.181 0.000 2.421 414 Q HA 0.010 4.350 4.340 0.001 0.000 0.255 414 Q C -1.651 174.588 176.000 0.398 0.000 1.013 414 Q CA -1.468 54.469 55.803 0.224 0.000 0.895 414 Q CB 0.214 29.005 28.738 0.088 0.000 1.271 414 Q HN 0.319 nan 8.270 nan 0.000 0.460 415 P HA -0.240 nan 4.420 nan 0.000 0.218 415 P C 1.349 178.825 177.300 0.294 0.000 1.154 415 P CA 1.772 65.124 63.100 0.420 0.000 0.872 415 P CB 0.035 31.869 31.700 0.223 0.000 0.790 416 M N -2.986 116.630 119.600 0.026 0.000 2.106 416 M HA -0.207 4.274 4.480 0.001 0.000 0.259 416 M C 2.030 178.325 176.300 -0.008 0.000 1.068 416 M CA 1.810 57.001 55.300 -0.180 0.000 1.100 416 M CB -0.763 31.549 32.600 -0.480 0.000 1.351 416 M HN -0.091 nan 8.290 nan 0.000 0.404 417 F N 0.150 120.056 119.950 -0.073 0.000 2.095 417 F HA -0.290 4.237 4.527 0.001 0.000 0.298 417 F C 1.796 177.495 175.800 -0.168 0.000 1.104 417 F CA 1.778 59.685 58.000 -0.155 0.000 1.232 417 F CB -0.531 38.240 39.000 -0.383 0.000 0.987 417 F HN 0.051 nan 8.300 nan 0.000 0.475 418 Y N -0.594 119.850 120.300 0.241 0.000 2.200 418 Y HA -0.202 4.349 4.550 0.001 0.000 0.290 418 Y C 2.829 178.838 175.900 0.182 0.000 1.137 418 Y CA 1.787 60.013 58.100 0.211 0.000 1.163 418 Y CB -1.102 37.579 38.460 0.367 0.000 0.988 418 Y HN 0.149 nan 8.280 nan 0.000 0.518 419 H N -0.231 118.963 119.070 0.207 0.000 2.352 419 H HA -0.176 4.380 4.556 0.001 0.000 0.299 419 H C 2.259 177.717 175.328 0.216 0.000 1.097 419 H CA 1.879 58.006 56.048 0.130 0.000 1.311 419 H CB -0.344 29.400 29.762 -0.030 0.000 1.377 419 H HN 0.343 nan 8.280 nan 0.000 0.504 420 L N -0.201 121.155 121.223 0.221 0.000 2.046 420 L HA -0.103 4.237 4.340 0.001 0.000 0.208 420 L C 2.871 179.750 176.870 0.014 0.000 1.077 420 L CA 1.282 56.213 54.840 0.150 0.000 0.747 420 L CB -0.516 41.649 42.059 0.177 0.000 0.896 420 L HN 0.276 nan 8.230 nan 0.000 0.432 421 G N -2.176 106.517 108.800 -0.178 0.000 2.471 421 G HA2 -0.224 3.736 3.960 0.001 0.000 0.219 421 G HA3 -0.224 3.736 3.960 0.001 0.000 0.219 421 G C 1.360 176.073 174.900 -0.311 0.000 1.125 421 G CA 0.240 45.134 45.100 -0.343 0.000 0.775 421 G HN 0.436 nan 8.290 nan 0.000 0.548 422 H N -0.862 118.106 119.070 -0.171 0.000 2.518 422 H HA 0.001 4.558 4.556 0.001 0.000 0.289 422 H C 1.631 176.690 175.328 -0.448 0.000 1.051 422 H CA 1.017 56.941 56.048 -0.207 0.000 1.280 422 H CB 0.159 29.718 29.762 -0.338 0.000 1.380 422 H HN 0.493 nan 8.280 nan 0.000 0.566 423 F N -0.378 119.449 119.950 -0.205 0.000 2.479 423 F HA -0.057 4.471 4.527 0.001 0.000 0.280 423 F C 2.818 178.146 175.800 -0.787 0.000 0.982 423 F CA 0.609 58.309 58.000 -0.499 0.000 1.276 423 F CB -0.617 37.914 39.000 -0.783 0.000 1.137 423 F HN -0.019 nan 8.300 nan 0.000 0.660 424 S N 0.535 115.787 115.700 -0.746 0.000 2.399 424 S HA -0.240 4.231 4.470 0.001 0.000 0.231 424 S C 1.954 176.327 174.600 -0.379 0.000 1.022 424 S CA 1.464 59.303 58.200 -0.601 0.000 0.983 424 S CB -0.603 62.499 63.200 -0.164 0.000 0.803 424 S HN 0.383 nan 8.310 nan 0.000 0.480 425 K N -0.048 119.992 120.400 -0.600 0.000 2.217 425 K HA 0.092 4.413 4.320 0.001 0.000 0.202 425 K C 0.631 176.716 176.600 -0.857 0.000 1.051 425 K CA 1.075 56.819 56.287 -0.904 0.000 0.952 425 K CB -0.083 31.492 32.500 -1.543 0.000 0.736 425 K HN 0.585 nan 8.250 nan 0.000 0.453 426 F N -0.336 119.480 119.950 -0.224 0.000 2.746 426 F HA 0.304 4.832 4.527 0.001 0.000 0.320 426 F C 0.141 175.914 175.800 -0.044 0.000 1.097 426 F CA -0.664 57.262 58.000 -0.124 0.000 1.195 426 F CB 0.957 39.860 39.000 -0.161 0.000 1.056 426 F HN -0.198 nan 8.300 nan 0.000 0.562 427 I N 3.569 124.163 120.570 0.041 0.000 2.557 427 I HA 0.256 4.427 4.170 0.001 0.000 0.277 427 I C -2.443 173.701 176.117 0.044 0.000 1.106 427 I CA -1.997 59.345 61.300 0.070 0.000 1.180 427 I CB 0.319 38.458 38.000 0.232 0.000 1.392 427 I HN -0.244 nan 8.210 nan 0.000 0.506 428 P HA 0.021 nan 4.420 nan 0.000 0.272 428 P C -0.056 177.213 177.300 -0.051 0.000 1.230 428 P CA -0.181 62.855 63.100 -0.107 0.000 0.788 428 P CB 0.834 32.396 31.700 -0.230 0.000 0.949 429 E N 0.442 120.625 120.200 -0.028 0.000 2.568 429 E HA 0.111 4.461 4.350 0.001 0.000 0.262 429 E C 1.199 177.778 176.600 -0.036 0.000 0.961 429 E CA 1.124 57.502 56.400 -0.037 0.000 0.945 429 E CB -0.612 29.052 29.700 -0.060 0.000 0.924 429 E HN 0.783 nan 8.360 nan 0.000 0.467 430 G N 2.916 111.706 108.800 -0.018 0.000 2.225 430 G HA2 -0.311 3.649 3.960 0.001 0.000 0.254 430 G HA3 -0.311 3.649 3.960 0.001 0.000 0.254 430 G C 0.317 175.222 174.900 0.009 0.000 0.988 430 G CA 0.253 45.352 45.100 -0.002 0.000 0.625 430 G HN 0.616 nan 8.290 nan 0.000 0.527 431 S N 0.273 115.975 115.700 0.002 0.000 2.558 431 S HA 0.382 4.852 4.470 0.001 0.000 0.287 431 S C 0.270 174.906 174.600 0.061 0.000 1.321 431 S CA 0.676 58.897 58.200 0.035 0.000 1.048 431 S CB 1.388 64.620 63.200 0.053 0.000 0.844 431 S HN 0.712 nan 8.310 nan 0.000 0.512 432 Q N 1.526 121.367 119.800 0.069 0.000 2.337 432 Q HA 0.370 4.710 4.340 0.001 0.000 0.266 432 Q C -0.476 175.586 176.000 0.103 0.000 1.023 432 Q CA -0.816 55.035 55.803 0.079 0.000 0.829 432 Q CB 1.087 29.858 28.738 0.056 0.000 1.306 432 Q HN 0.572 nan 8.270 nan 0.000 0.449 433 R N 2.165 122.751 120.500 0.143 0.000 2.491 433 R HA 0.318 4.659 4.340 0.001 0.000 0.283 433 R C -0.544 175.919 176.300 0.272 0.000 1.072 433 R CA 0.047 56.256 56.100 0.182 0.000 1.048 433 R CB 0.579 30.975 30.300 0.159 0.000 0.983 433 R HN 0.536 nan 8.270 nan 0.000 0.450 434 V N 0.608 120.664 119.914 0.236 0.000 3.126 434 V HA 0.728 4.848 4.120 0.001 0.000 0.314 434 V C 0.237 176.508 176.094 0.294 0.000 1.138 434 V CA -0.825 61.610 62.300 0.224 0.000 1.034 434 V CB 1.548 33.412 31.823 0.069 0.000 1.075 434 V HN 0.835 nan 8.190 nan 0.000 0.442 435 G N 0.677 109.646 108.800 0.281 0.000 2.491 435 G HA2 0.497 4.458 3.960 0.001 0.000 0.238 435 G HA3 0.497 4.458 3.960 0.001 0.000 0.238 435 G C -0.957 174.021 174.900 0.129 0.000 1.277 435 G CA 0.062 45.325 45.100 0.271 0.000 0.851 435 G HN 1.479 nan 8.290 nan 0.000 0.573 436 L N 2.414 123.691 121.223 0.090 0.000 2.611 436 L HA 0.448 4.788 4.340 0.001 0.000 0.263 436 L C -0.847 176.048 176.870 0.040 0.000 0.969 436 L CA -0.495 54.380 54.840 0.057 0.000 0.894 436 L CB 2.119 44.208 42.059 0.050 0.000 1.229 436 L HN 0.336 nan 8.230 nan 0.000 0.416 437 V N 4.531 124.468 119.914 0.039 0.000 2.370 437 V HA 0.764 4.884 4.120 0.001 0.000 0.279 437 V C 0.749 176.860 176.094 0.029 0.000 1.029 437 V CA -0.179 62.142 62.300 0.035 0.000 0.870 437 V CB 1.346 33.193 31.823 0.040 0.000 0.984 437 V HN 0.911 nan 8.190 nan 0.000 0.451 438 A N 3.714 126.550 122.820 0.027 0.000 2.409 438 A HA 0.438 4.759 4.320 0.001 0.000 0.262 438 A C 1.373 178.976 177.584 0.033 0.000 1.113 438 A CA 0.283 52.337 52.037 0.028 0.000 0.790 438 A CB 0.514 19.530 19.000 0.026 0.000 1.046 438 A HN 1.148 nan 8.150 nan 0.000 0.496 439 S N 1.467 117.189 115.700 0.037 0.000 2.481 439 S HA 0.027 4.498 4.470 0.001 0.000 0.231 439 S C 0.546 175.167 174.600 0.035 0.000 0.996 439 S CA 0.939 59.165 58.200 0.042 0.000 0.942 439 S CB -0.470 62.764 63.200 0.056 0.000 0.768 439 S HN 0.968 nan 8.310 nan 0.000 0.520 440 Q N -0.960 118.859 119.800 0.031 0.000 2.633 440 Q HA 0.427 4.768 4.340 0.001 0.000 0.289 440 Q C -1.511 174.505 176.000 0.027 0.000 0.940 440 Q CA -1.190 54.629 55.803 0.027 0.000 0.785 440 Q CB 0.816 29.568 28.738 0.023 0.000 1.467 440 Q HN -0.018 nan 8.270 nan 0.000 0.401 441 K N 1.204 121.620 120.400 0.026 0.000 2.489 441 K HA 0.072 4.393 4.320 0.001 0.000 0.278 441 K C -0.802 175.812 176.600 0.025 0.000 1.000 441 K CA 0.942 57.246 56.287 0.027 0.000 1.012 441 K CB 0.151 32.667 32.500 0.027 0.000 0.903 441 K HN 0.821 nan 8.250 nan 0.000 0.485 442 N N 0.603 119.319 118.700 0.027 0.000 3.039 442 N HA 0.180 4.920 4.740 0.001 0.000 0.257 442 N C -0.845 174.682 175.510 0.028 0.000 1.497 442 N CA -0.764 52.300 53.050 0.023 0.000 0.861 442 N CB 0.865 39.365 38.487 0.022 0.000 1.479 442 N HN 0.217 nan 8.380 nan 0.000 0.547 443 D N -0.490 119.923 120.400 0.021 0.000 2.367 443 D HA 0.205 4.846 4.640 0.001 0.000 0.207 443 D C 0.130 176.451 176.300 0.036 0.000 1.034 443 D CA 0.247 54.261 54.000 0.023 0.000 0.861 443 D CB 0.219 41.021 40.800 0.003 0.000 0.943 443 D HN 0.367 nan 8.370 nan 0.000 0.515 444 L N 1.247 122.493 121.223 0.039 0.000 2.453 444 L HA 0.213 4.553 4.340 0.001 0.000 0.261 444 L C 0.373 177.294 176.870 0.084 0.000 1.179 444 L CA -0.135 54.737 54.840 0.054 0.000 0.813 444 L CB 0.731 42.814 42.059 0.040 0.000 1.110 444 L HN -0.247 nan 8.230 nan 0.000 0.466 445 D N 1.754 122.223 120.400 0.115 0.000 2.256 445 D HA 0.567 5.207 4.640 0.001 0.000 0.240 445 D C -0.629 175.735 176.300 0.107 0.000 1.062 445 D CA -0.118 53.961 54.000 0.131 0.000 0.832 445 D CB 2.277 43.207 40.800 0.216 0.000 1.135 445 D HN 0.568 nan 8.370 nan 0.000 0.484 446 A N 1.799 124.666 122.820 0.079 0.000 2.449 446 A HA 0.659 4.980 4.320 0.001 0.000 0.302 446 A C -1.218 176.401 177.584 0.058 0.000 1.048 446 A CA -0.768 51.314 52.037 0.076 0.000 0.708 446 A CB 2.181 21.217 19.000 0.060 0.000 1.274 446 A HN 0.362 nan 8.150 nan 0.000 0.410 447 V N 0.860 120.822 119.914 0.080 0.000 2.888 447 V HA 0.861 4.982 4.120 0.001 0.000 0.309 447 V C -0.524 175.613 176.094 0.071 0.000 1.114 447 V CA 0.169 62.507 62.300 0.063 0.000 0.940 447 V CB 1.952 33.826 31.823 0.085 0.000 1.021 447 V HN 1.958 nan 8.190 nan 0.000 0.426 448 A N 5.902 128.754 122.820 0.053 0.000 2.374 448 A HA 1.011 5.332 4.320 0.001 0.000 0.317 448 A C -1.617 175.993 177.584 0.044 0.000 1.094 448 A CA -0.543 51.514 52.037 0.035 0.000 0.765 448 A CB 1.610 20.631 19.000 0.034 0.000 1.268 448 A HN 0.898 nan 8.150 nan 0.000 0.438 449 L N 0.527 121.757 121.223 0.012 0.000 2.403 449 L HA 0.673 5.014 4.340 0.001 0.000 0.253 449 L C -0.402 176.455 176.870 -0.022 0.000 1.045 449 L CA -0.184 54.680 54.840 0.040 0.000 0.845 449 L CB 2.021 44.139 42.059 0.097 0.000 1.447 449 L HN 0.773 nan 8.230 nan 0.000 0.411 450 M N 0.320 119.929 119.600 0.015 0.000 2.321 450 M HA 0.442 4.922 4.480 0.001 0.000 0.315 450 M C -0.666 175.695 176.300 0.102 0.000 1.052 450 M CA -0.420 54.873 55.300 -0.013 0.000 0.936 450 M CB 1.513 34.093 32.600 -0.033 0.000 1.639 450 M HN 0.552 nan 8.290 nan 0.000 0.433 451 H N 3.531 122.544 119.070 -0.095 0.000 2.836 451 H HA 0.015 4.571 4.556 0.001 0.000 0.368 451 H C -1.645 173.656 175.328 -0.045 0.000 1.164 451 H CA -1.179 54.830 56.048 -0.065 0.000 1.425 451 H CB 0.318 30.025 29.762 -0.092 0.000 1.414 451 H HN 0.465 nan 8.280 nan 0.000 0.614 452 P HA -0.198 nan 4.420 nan 0.000 0.217 452 P C 0.755 178.074 177.300 0.033 0.000 1.148 452 P CA 1.620 64.738 63.100 0.031 0.000 0.834 452 P CB 0.048 31.752 31.700 0.006 0.000 0.783 453 D N -2.337 118.093 120.400 0.050 0.000 2.319 453 D HA 0.121 4.762 4.640 0.001 0.000 0.230 453 D C 1.404 177.695 176.300 -0.015 0.000 1.094 453 D CA 0.408 54.417 54.000 0.015 0.000 0.856 453 D CB -0.740 40.070 40.800 0.018 0.000 0.915 453 D HN 0.243 nan 8.370 nan 0.000 0.517 454 G N 0.072 108.863 108.800 -0.014 0.000 2.234 454 G HA2 -0.285 3.675 3.960 0.001 0.000 0.235 454 G HA3 -0.285 3.675 3.960 0.001 0.000 0.235 454 G C 0.476 175.307 174.900 -0.114 0.000 0.997 454 G CA 0.242 45.311 45.100 -0.052 0.000 0.623 454 G HN 0.784 nan 8.290 nan 0.000 0.514 455 S N 0.441 116.047 115.700 -0.156 0.000 2.593 455 S HA 0.743 5.214 4.470 0.001 0.000 0.269 455 S C 0.489 174.788 174.600 -0.502 0.000 1.334 455 S CA 0.494 58.517 58.200 -0.294 0.000 1.015 455 S CB 1.953 64.998 63.200 -0.259 0.000 0.912 455 S HN 1.897 nan 8.310 nan 0.000 0.541 456 A N 0.781 123.140 122.820 -0.767 0.000 2.295 456 A HA 0.774 5.095 4.320 0.001 0.000 0.318 456 A C -0.416 176.618 177.584 -0.917 0.000 1.134 456 A CA -0.842 50.607 52.037 -0.980 0.000 0.827 456 A CB 1.100 19.104 19.000 -1.659 0.000 1.136 456 A HN 1.532 nan 8.150 nan 0.000 0.493 457 V N 2.455 122.004 119.914 -0.609 0.000 2.668 457 V HA 0.638 4.759 4.120 0.001 0.000 0.304 457 V C -1.439 174.553 176.094 -0.170 0.000 1.071 457 V CA -0.319 61.788 62.300 -0.322 0.000 0.894 457 V CB 1.799 33.563 31.823 -0.100 0.000 1.008 457 V HN 0.848 nan 8.190 nan 0.000 0.425 458 V N 6.560 126.462 119.914 -0.020 0.000 2.709 458 V HA 0.655 4.775 4.120 0.001 0.000 0.308 458 V C -0.540 175.648 176.094 0.157 0.000 1.062 458 V CA -0.631 61.730 62.300 0.103 0.000 0.901 458 V CB 2.146 34.087 31.823 0.197 0.000 1.003 458 V HN 0.729 nan 8.190 nan 0.000 0.425 459 V N 4.334 124.302 119.914 0.089 0.000 2.495 459 V HA 0.650 4.771 4.120 0.001 0.000 0.298 459 V C -0.514 175.638 176.094 0.098 0.000 1.031 459 V CA -0.656 61.655 62.300 0.018 0.000 0.871 459 V CB 1.955 33.623 31.823 -0.258 0.000 0.988 459 V HN 0.603 nan 8.190 nan 0.000 0.432 460 V N 5.547 125.539 119.914 0.129 0.000 2.447 460 V HA 0.420 4.541 4.120 0.001 0.000 0.292 460 V C -0.678 175.461 176.094 0.074 0.000 1.021 460 V CA -0.487 61.892 62.300 0.132 0.000 0.850 460 V CB 1.663 33.609 31.823 0.204 0.000 1.005 460 V HN 0.657 nan 8.190 nan 0.000 0.426 461 L N 4.679 125.956 121.223 0.090 0.000 2.275 461 L HA 0.608 4.948 4.340 0.001 0.000 0.288 461 L C -0.067 176.859 176.870 0.093 0.000 1.046 461 L CA 0.143 55.049 54.840 0.110 0.000 0.805 461 L CB 1.271 43.437 42.059 0.178 0.000 1.193 461 L HN 0.640 nan 8.230 nan 0.000 0.426 462 N N 4.184 122.934 118.700 0.085 0.000 2.546 462 N HA 0.286 5.027 4.740 0.001 0.000 0.238 462 N C 0.436 176.012 175.510 0.111 0.000 0.984 462 N CA -0.143 52.935 53.050 0.047 0.000 0.935 462 N CB 0.732 39.199 38.487 -0.034 0.000 1.122 462 N HN 0.611 nan 8.380 nan 0.000 0.510 463 R N 0.464 121.024 120.500 0.100 0.000 2.313 463 R HA 0.053 4.394 4.340 0.001 0.000 0.199 463 R C 0.686 177.018 176.300 0.054 0.000 0.958 463 R CA 0.102 56.297 56.100 0.159 0.000 1.047 463 R CB 0.167 30.524 30.300 0.096 0.000 0.955 463 R HN 0.559 nan 8.270 nan 0.000 0.481 464 S N -0.734 114.884 115.700 -0.138 0.000 2.730 464 S HA 0.113 4.583 4.470 0.001 0.000 0.284 464 S C 1.145 175.290 174.600 -0.758 0.000 1.153 464 S CA -0.388 57.640 58.200 -0.286 0.000 0.995 464 S CB 1.822 64.933 63.200 -0.149 0.000 1.058 464 S HN 0.111 nan 8.310 nan 0.000 0.552 465 S N -0.326 114.999 115.700 -0.625 0.000 2.528 465 S HA 0.205 4.676 4.470 0.001 0.000 0.219 465 S C -0.070 174.356 174.600 -0.289 0.000 0.985 465 S CA -0.339 57.481 58.200 -0.632 0.000 0.914 465 S CB -0.557 62.538 63.200 -0.175 0.000 0.776 465 S HN 0.693 nan 8.310 nan 0.000 0.526 466 K N 2.514 122.790 120.400 -0.206 0.000 2.172 466 K HA 0.444 4.764 4.320 0.001 0.000 0.276 466 K C -1.009 175.525 176.600 -0.111 0.000 1.013 466 K CA -0.603 55.614 56.287 -0.116 0.000 0.913 466 K CB 0.338 32.794 32.500 -0.074 0.000 1.055 466 K HN 0.005 nan 8.250 nan 0.000 0.461 467 D N 1.380 121.736 120.400 -0.074 0.000 2.493 467 D HA 0.023 4.663 4.640 0.001 0.000 0.240 467 D C -0.514 175.760 176.300 -0.042 0.000 1.142 467 D CA 0.046 54.014 54.000 -0.054 0.000 0.872 467 D CB 0.617 41.400 40.800 -0.028 0.000 1.173 467 D HN 0.066 nan 8.370 nan 0.000 0.467 468 V N 5.327 125.217 119.914 -0.040 0.000 2.334 468 V HA 0.242 4.362 4.120 0.001 0.000 0.281 468 V C -2.104 173.984 176.094 -0.009 0.000 1.016 468 V CA -1.766 60.520 62.300 -0.025 0.000 0.832 468 V CB 1.588 33.395 31.823 -0.026 0.000 0.999 468 V HN 0.391 nan 8.190 nan 0.000 0.439 469 P HA 0.223 nan 4.420 nan 0.000 0.266 469 P C -0.919 176.385 177.300 0.007 0.000 1.195 469 P CA -0.064 63.040 63.100 0.008 0.000 0.768 469 P CB 0.610 32.313 31.700 0.005 0.000 0.838 470 L N 3.121 124.348 121.223 0.006 0.000 2.526 470 L HA 0.484 4.825 4.340 0.001 0.000 0.263 470 L C -1.029 175.816 176.870 -0.041 0.000 0.943 470 L CA -0.002 54.829 54.840 -0.015 0.000 0.859 470 L CB 1.922 43.965 42.059 -0.026 0.000 1.313 470 L HN 0.243 nan 8.230 nan 0.000 0.406 471 T N 5.815 120.349 114.554 -0.034 0.000 2.829 471 T HA 0.681 5.032 4.350 0.001 0.000 0.280 471 T C -0.241 174.369 174.700 -0.150 0.000 0.999 471 T CA -0.207 61.848 62.100 -0.075 0.000 0.983 471 T CB 1.241 70.112 68.868 0.006 0.000 0.968 471 T HN 0.431 nan 8.240 nan 0.000 0.446 472 I N 2.836 123.242 120.570 -0.275 0.000 2.355 472 I HA 0.390 4.561 4.170 0.001 0.000 0.288 472 I C 0.164 176.061 176.117 -0.367 0.000 0.999 472 I CA -0.809 60.301 61.300 -0.317 0.000 1.163 472 I CB 1.516 39.242 38.000 -0.456 0.000 1.316 472 I HN 0.353 nan 8.210 nan 0.000 0.454 473 K N 5.510 125.734 120.400 -0.294 0.000 2.211 473 K HA 0.219 4.539 4.320 0.001 0.000 0.275 473 K C -0.992 175.429 176.600 -0.299 0.000 1.024 473 K CA -0.475 55.537 56.287 -0.458 0.000 0.887 473 K CB 1.133 33.338 32.500 -0.492 0.000 1.084 473 K HN 0.452 nan 8.250 nan 0.000 0.463 474 D N 5.821 126.015 120.400 -0.343 0.000 2.349 474 D HA 0.222 4.863 4.640 0.001 0.000 0.232 474 D C -1.879 174.303 176.300 -0.197 0.000 1.071 474 D CA -2.454 51.479 54.000 -0.112 0.000 0.832 474 D CB 1.958 42.804 40.800 0.077 0.000 1.086 474 D HN 0.287 nan 8.370 nan 0.000 0.504 475 P HA -0.154 nan 4.420 nan 0.000 0.217 475 P C 0.753 178.005 177.300 -0.080 0.000 1.148 475 P CA 1.346 64.379 63.100 -0.113 0.000 0.834 475 P CB 0.298 31.968 31.700 -0.049 0.000 0.783 476 A N -1.946 120.853 122.820 -0.034 0.000 2.169 476 A HA 0.078 4.399 4.320 0.001 0.000 0.212 476 A C 1.810 179.388 177.584 -0.010 0.000 1.153 476 A CA 1.138 53.172 52.037 -0.005 0.000 0.756 476 A CB -0.442 18.577 19.000 0.032 0.000 0.813 476 A HN 0.110 nan 8.150 nan 0.000 0.471 477 V N -2.967 116.913 119.914 -0.057 0.000 3.141 477 V HA 0.533 4.654 4.120 0.001 0.000 0.225 477 V C 1.115 177.124 176.094 -0.142 0.000 1.352 477 V CA 0.526 62.789 62.300 -0.063 0.000 1.316 477 V CB -0.224 31.579 31.823 -0.033 0.000 1.126 477 V HN 0.989 nan 8.190 nan 0.000 0.493 478 G N 0.397 109.021 108.800 -0.295 0.000 2.260 478 G HA2 0.127 4.087 3.960 0.001 0.000 0.250 478 G HA3 0.127 4.087 3.960 0.001 0.000 0.250 478 G C -1.714 172.793 174.900 -0.655 0.000 1.340 478 G CA -0.625 44.234 45.100 -0.403 0.000 1.056 478 G HN 0.089 nan 8.290 nan 0.000 0.471 479 F N 0.433 120.251 119.950 -0.221 0.000 2.458 479 F HA 0.717 5.245 4.527 0.001 0.000 0.336 479 F C 0.428 176.052 175.800 -0.292 0.000 1.114 479 F CA -0.744 57.078 58.000 -0.298 0.000 0.987 479 F CB 2.136 40.947 39.000 -0.315 0.000 1.130 479 F HN 0.415 nan 8.300 nan 0.000 0.458 480 L N 4.501 125.559 121.223 -0.275 0.000 2.301 480 L HA 0.461 4.802 4.340 0.001 0.000 0.278 480 L C -0.583 176.104 176.870 -0.305 0.000 1.022 480 L CA -0.516 54.082 54.840 -0.404 0.000 0.854 480 L CB 0.397 41.944 42.059 -0.854 0.000 1.226 480 L HN 0.524 nan 8.230 nan 0.000 0.429 481 E N 3.241 123.368 120.200 -0.121 0.000 2.313 481 E HA 0.386 4.736 4.350 0.001 0.000 0.276 481 E C -0.375 176.203 176.600 -0.035 0.000 1.031 481 E CA 0.010 56.379 56.400 -0.051 0.000 0.857 481 E CB 2.002 31.717 29.700 0.024 0.000 1.040 481 E HN 0.582 nan 8.360 nan 0.000 0.408 482 T N 1.467 116.010 114.554 -0.019 0.000 2.693 482 T HA 0.592 4.943 4.350 0.001 0.000 0.304 482 T C -1.547 173.196 174.700 0.072 0.000 1.471 482 T CA -0.549 61.581 62.100 0.050 0.000 0.993 482 T CB 0.788 69.665 68.868 0.015 0.000 1.554 482 T HN 0.323 nan 8.240 nan 0.000 0.496 483 I N 1.714 122.367 120.570 0.137 0.000 2.582 483 I HA 0.505 4.676 4.170 0.001 0.000 0.292 483 I C -0.358 175.813 176.117 0.090 0.000 1.066 483 I CA -0.718 60.638 61.300 0.093 0.000 1.053 483 I CB 2.303 40.350 38.000 0.079 0.000 1.241 483 I HN 0.500 nan 8.210 nan 0.000 0.421 484 S N 7.250 122.941 115.700 -0.014 0.000 2.466 484 S HA 0.506 4.976 4.470 0.001 0.000 0.313 484 S C -2.455 172.065 174.600 -0.134 0.000 1.078 484 S CA -1.616 56.486 58.200 -0.162 0.000 1.115 484 S CB 0.304 63.442 63.200 -0.104 0.000 1.006 484 S HN 0.183 nan 8.310 nan 0.000 0.487 485 P HA 0.138 nan 4.420 nan 0.000 0.269 485 P C 0.453 177.698 177.300 -0.092 0.000 1.217 485 P CA -0.011 63.047 63.100 -0.070 0.000 0.783 485 P CB 0.237 31.923 31.700 -0.022 0.000 0.898 486 G N 0.805 109.541 108.800 -0.106 0.000 2.414 486 G HA2 0.005 3.966 3.960 0.001 0.000 0.236 486 G HA3 0.005 3.966 3.960 0.001 0.000 0.236 486 G C -0.642 174.187 174.900 -0.118 0.000 1.293 486 G CA -0.212 44.751 45.100 -0.228 0.000 0.869 486 G HN 0.590 nan 8.290 nan 0.000 0.556 487 Y N -0.164 120.178 120.300 0.070 0.000 3.037 487 Y HA -0.256 4.294 4.550 0.001 0.000 0.204 487 Y C 1.301 177.287 175.900 0.144 0.000 1.275 487 Y CA 0.493 58.689 58.100 0.160 0.000 1.066 487 Y CB -1.849 36.586 38.460 -0.042 0.000 1.305 487 Y HN 0.886 nan 8.280 nan 0.000 0.499 488 S N -0.104 115.766 115.700 0.284 0.000 2.671 488 S HA 0.896 5.367 4.470 0.001 0.000 0.299 488 S C -0.727 174.005 174.600 0.220 0.000 1.116 488 S CA -0.928 57.411 58.200 0.230 0.000 0.912 488 S CB 3.272 66.468 63.200 -0.007 0.000 1.130 488 S HN 0.418 nan 8.310 nan 0.000 0.501 489 I N 0.809 121.446 120.570 0.112 0.000 2.619 489 I HA 0.492 4.663 4.170 0.001 0.000 0.292 489 I C -1.464 174.616 176.117 -0.063 0.000 1.100 489 I CA -0.601 60.618 61.300 -0.134 0.000 1.043 489 I CB 1.769 39.466 38.000 -0.505 0.000 1.239 489 I HN 0.881 nan 8.210 nan 0.000 0.420 490 H N 4.655 123.630 119.070 -0.158 0.000 2.529 490 H HA 0.437 4.993 4.556 0.001 0.000 0.348 490 H C -1.048 174.238 175.328 -0.070 0.000 1.079 490 H CA -0.869 55.123 56.048 -0.094 0.000 1.198 490 H CB 2.131 31.862 29.762 -0.051 0.000 1.521 490 H HN 0.431 nan 8.280 nan 0.000 0.514 491 T N 3.781 118.340 114.554 0.007 0.000 2.786 491 T HA 0.233 4.583 4.350 0.001 0.000 0.283 491 T C -0.816 173.690 174.700 -0.325 0.000 0.992 491 T CA -0.675 61.340 62.100 -0.141 0.000 0.954 491 T CB 0.306 69.000 68.868 -0.290 0.000 0.934 491 T HN 0.311 nan 8.240 nan 0.000 0.440 492 Y N 2.576 122.886 120.300 0.017 0.000 2.342 492 Y HA 0.666 5.217 4.550 0.001 0.000 0.334 492 Y C -0.090 175.869 175.900 0.098 0.000 1.067 492 Y CA -1.200 56.980 58.100 0.133 0.000 1.128 492 Y CB 0.980 39.577 38.460 0.228 0.000 1.200 492 Y HN 0.428 nan 8.280 nan 0.000 0.464 493 L N 3.371 124.785 121.223 0.318 0.000 2.408 493 L HA 0.597 4.937 4.340 0.001 0.000 0.268 493 L C -1.331 175.731 176.870 0.321 0.000 0.986 493 L CA -0.580 54.299 54.840 0.066 0.000 0.820 493 L CB 1.673 43.629 42.059 -0.171 0.000 1.303 493 L HN 0.772 nan 8.230 nan 0.000 0.411 494 W N 0.559 121.816 121.300 -0.072 0.000 3.296 494 W HA 0.575 5.235 4.660 0.001 0.000 0.314 494 W C -1.077 175.433 176.519 -0.014 0.000 1.238 494 W CA -0.766 56.562 57.345 -0.028 0.000 1.193 494 W CB 0.368 29.865 29.460 0.060 0.000 1.383 494 W HN 0.315 nan 8.180 nan 0.000 0.545 495 H N 2.318 121.481 119.070 0.154 0.000 2.815 495 H HA 0.258 4.815 4.556 0.001 0.000 0.350 495 H C 0.914 176.346 175.328 0.174 0.000 1.080 495 H CA 0.001 56.093 56.048 0.073 0.000 1.433 495 H CB 1.232 31.051 29.762 0.094 0.000 1.432 495 H HN 0.533 nan 8.280 nan 0.000 0.592 496 R N 1.099 121.714 120.500 0.192 0.000 2.362 496 R HA 0.160 4.501 4.340 0.001 0.000 0.227 496 R C 0.226 176.599 176.300 0.122 0.000 0.905 496 R CA 0.209 56.417 56.100 0.180 0.000 1.067 496 R CB 0.793 31.135 30.300 0.069 0.000 1.078 496 R HN 0.624 nan 8.270 nan 0.000 0.516 497 Q N 0.000 119.859 119.800 0.099 0.000 2.315 497 Q HA 0.000 4.341 4.340 0.001 0.000 0.214 497 Q CA 0.000 55.833 55.803 0.050 0.000 1.022 497 Q CB 0.000 28.738 28.738 0.000 0.000 1.108 497 Q HN 0.000 nan 8.270 nan 0.000 0.481