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 2nt0_1_B 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 0.000 177.563 177.584 -0.035 0.000 1.274 1 A CA 0.000 52.036 52.037 -0.001 0.000 0.836 1 A CB 0.000 19.025 19.000 0.041 0.000 0.831 2 R N 2.547 122.993 120.500 -0.091 0.000 2.347 2 R HA 0.431 4.787 4.340 0.026 0.000 0.304 2 R C -2.446 173.831 176.300 -0.038 0.000 1.072 2 R CA -1.316 54.728 56.100 -0.092 0.000 0.980 2 R CB 0.904 31.005 30.300 -0.331 0.000 0.986 2 R HN 0.435 nan 8.270 nan 0.000 0.448 3 P HA 0.009 nan 4.420 nan 0.000 0.276 3 P C 0.085 177.449 177.300 0.107 0.000 1.252 3 P CA -0.701 62.426 63.100 0.046 0.000 0.802 3 P CB 0.689 32.415 31.700 0.043 0.000 1.035 4 c N 2.163 120.781 118.600 0.030 0.000 2.597 4 c HA 0.112 4.698 4.570 0.026 0.000 0.412 4 c C 0.637 174.733 174.090 0.011 0.000 1.348 4 c CA -0.008 56.337 56.329 0.026 0.000 1.769 4 c CB -2.097 40.382 42.510 -0.052 0.000 2.641 4 c HN 0.305 nan 8.230 nan 0.000 0.612 5 I N 8.784 129.348 120.570 -0.010 0.000 2.330 5 I HA 0.307 4.493 4.170 0.026 0.000 0.286 5 I C -1.849 174.247 176.117 -0.035 0.000 1.025 5 I CA -1.533 59.715 61.300 -0.088 0.000 1.197 5 I CB 1.068 38.944 38.000 -0.208 0.000 1.358 5 I HN 0.576 nan 8.210 nan 0.000 0.467 6 P HA 0.253 nan 4.420 nan 0.000 0.284 6 P C -1.081 176.206 177.300 -0.023 0.000 1.253 6 P CA -0.637 62.456 63.100 -0.011 0.000 0.800 6 P CB 1.483 33.167 31.700 -0.027 0.000 0.961 7 K N 1.210 121.611 120.400 0.001 0.000 2.482 7 K HA 0.452 4.788 4.320 0.026 0.000 0.251 7 K C -0.916 175.627 176.600 -0.095 0.000 0.936 7 K CA -0.582 55.649 56.287 -0.093 0.000 0.791 7 K CB 1.679 34.126 32.500 -0.088 0.000 1.213 7 K HN 0.335 nan 8.250 nan 0.000 0.428 8 S N 3.057 118.635 115.700 -0.205 0.000 2.541 8 S HA 0.499 4.985 4.470 0.026 0.000 0.283 8 S C -0.529 173.862 174.600 -0.349 0.000 1.196 8 S CA -0.499 57.620 58.200 -0.134 0.000 1.062 8 S CB 0.315 63.451 63.200 -0.108 0.000 1.009 8 S HN 0.557 nan 8.310 nan 0.000 0.502 9 F N 2.267 122.207 119.950 -0.018 0.000 2.791 9 F HA 0.384 4.926 4.527 0.025 0.000 0.316 9 F C 1.538 177.305 175.800 -0.055 0.000 1.134 9 F CA 0.084 58.075 58.000 -0.016 0.000 1.222 9 F CB 0.736 39.749 39.000 0.022 0.000 1.034 9 F HN 0.894 nan 8.300 nan 0.000 0.516 10 G N -0.554 108.246 108.800 -0.000 0.000 2.141 10 G HA2 -0.317 3.658 3.960 0.026 0.000 0.242 10 G HA3 -0.317 3.658 3.960 0.026 0.000 0.242 10 G C -0.031 174.661 174.900 -0.347 0.000 0.982 10 G CA -0.185 44.809 45.100 -0.176 0.000 0.662 10 G HN 0.350 nan 8.290 nan 0.000 0.527 11 Y N 0.358 120.700 120.300 0.069 0.000 2.534 11 Y HA 0.481 5.046 4.550 0.025 0.000 0.338 11 Y C 2.167 178.095 175.900 0.047 0.000 1.279 11 Y CA 0.160 58.296 58.100 0.060 0.000 1.436 11 Y CB 0.625 39.128 38.460 0.071 0.000 1.573 11 Y HN 0.219 nan 8.280 nan 0.000 0.567 12 S N -1.362 114.480 115.700 0.236 0.000 2.474 12 S HA 0.002 4.487 4.470 0.026 0.000 0.235 12 S C 0.648 175.302 174.600 0.089 0.000 0.997 12 S CA 0.885 59.153 58.200 0.112 0.000 0.949 12 S CB -0.155 63.097 63.200 0.087 0.000 0.766 12 S HN 0.450 nan 8.310 nan 0.000 0.517 13 S N -0.584 115.218 115.700 0.170 0.000 2.819 13 S HA 0.667 5.153 4.470 0.026 0.000 0.299 13 S C -0.859 173.839 174.600 0.163 0.000 1.192 13 S CA -0.289 57.995 58.200 0.140 0.000 0.847 13 S CB 1.145 64.488 63.200 0.239 0.000 1.224 13 S HN 0.738 nan 8.310 nan 0.000 0.537 14 V N 0.985 120.983 119.914 0.139 0.000 2.837 14 V HA 0.917 5.053 4.120 0.026 0.000 0.310 14 V C 0.278 176.485 176.094 0.187 0.000 1.059 14 V CA -0.486 61.893 62.300 0.132 0.000 1.004 14 V CB 0.928 32.785 31.823 0.057 0.000 1.045 14 V HN 0.881 nan 8.190 nan 0.000 0.465 15 V N -0.120 119.912 119.914 0.197 0.000 2.973 15 V HA 0.636 4.772 4.120 0.026 0.000 0.314 15 V C 0.129 176.340 176.094 0.196 0.000 1.066 15 V CA -0.545 61.890 62.300 0.225 0.000 1.021 15 V CB 1.146 33.101 31.823 0.219 0.000 1.076 15 V HN 1.075 nan 8.190 nan 0.000 0.462 16 c N 2.636 121.366 118.600 0.216 0.000 2.273 16 c HA 0.634 5.220 4.570 0.026 0.000 0.328 16 c C 0.307 174.461 174.090 0.108 0.000 1.275 16 c CA -0.644 55.768 56.329 0.139 0.000 1.704 16 c CB 0.127 42.732 42.510 0.159 0.000 2.326 16 c HN 0.752 nan 8.230 nan 0.000 0.517 17 V N 3.511 123.472 119.914 0.078 0.000 2.461 17 V HA 0.310 4.446 4.120 0.026 0.000 0.275 17 V C 0.326 176.300 176.094 -0.199 0.000 1.047 17 V CA -0.028 62.287 62.300 0.024 0.000 0.955 17 V CB 0.328 32.204 31.823 0.088 0.000 0.988 17 V HN 1.065 nan 8.190 nan 0.000 0.471 18 c N 5.238 123.512 118.600 -0.544 0.000 2.667 18 c HA 0.862 5.448 4.570 0.026 0.000 0.323 18 c C 0.217 173.912 174.090 -0.658 0.000 1.214 18 c CA -0.679 55.214 56.329 -0.728 0.000 1.721 18 c CB 1.589 43.210 42.510 -1.482 0.000 2.275 18 c HN 1.083 nan 8.230 nan 0.000 0.491 19 N N -0.207 118.295 118.700 -0.330 0.000 3.522 19 N HA 0.500 5.255 4.740 0.026 0.000 0.328 19 N C 0.123 175.641 175.510 0.013 0.000 1.623 19 N CA -0.097 52.883 53.050 -0.118 0.000 0.812 19 N CB 0.247 38.688 38.487 -0.077 0.000 2.008 19 N HN 0.513 nan 8.380 nan 0.000 0.601 20 A N -1.079 121.765 122.820 0.041 0.000 2.014 20 A HA 0.019 4.355 4.320 0.026 0.000 0.218 20 A C 1.467 179.083 177.584 0.052 0.000 1.163 20 A CA 2.295 54.368 52.037 0.061 0.000 0.652 20 A CB -1.223 17.803 19.000 0.044 0.000 0.808 20 A HN 0.875 nan 8.150 nan 0.000 0.449 21 T N -5.958 108.628 114.554 0.054 0.000 3.010 21 T HA 0.353 4.719 4.350 0.026 0.000 0.257 21 T C -0.091 174.664 174.700 0.092 0.000 1.020 21 T CA -0.082 62.054 62.100 0.060 0.000 0.938 21 T CB -0.163 68.741 68.868 0.060 0.000 1.049 21 T HN 0.288 nan 8.240 nan 0.000 0.522 22 Y N 0.147 120.414 120.300 -0.055 0.000 2.401 22 Y HA 0.563 5.128 4.550 0.025 0.000 0.330 22 Y C -1.505 174.318 175.900 -0.127 0.000 1.071 22 Y CA -1.452 56.602 58.100 -0.076 0.000 1.049 22 Y CB 1.813 40.222 38.460 -0.085 0.000 1.239 22 Y HN 0.286 nan 8.280 nan 0.000 0.437 23 c N 6.635 125.013 118.600 -0.370 0.000 2.880 23 c HA 0.383 4.968 4.570 0.026 0.000 0.320 23 c C -1.314 172.570 174.090 -0.343 0.000 1.176 23 c CA -0.838 55.366 56.329 -0.209 0.000 1.390 23 c CB 0.776 43.220 42.510 -0.110 0.000 1.846 23 c HN 0.922 nan 8.230 nan 0.000 0.478 24 D N 3.162 123.488 120.400 -0.122 0.000 2.455 24 D HA 0.376 5.032 4.640 0.026 0.000 0.241 24 D C -0.179 176.006 176.300 -0.192 0.000 1.138 24 D CA 0.439 54.367 54.000 -0.121 0.000 0.877 24 D CB 1.019 41.813 40.800 -0.011 0.000 1.187 24 D HN 0.800 nan 8.370 nan 0.000 0.451 25 S N 0.395 115.950 115.700 -0.242 0.000 2.596 25 S HA 0.622 5.107 4.470 0.026 0.000 0.270 25 S C -0.932 173.505 174.600 -0.272 0.000 1.155 25 S CA -1.076 56.986 58.200 -0.229 0.000 0.827 25 S CB 0.776 63.916 63.200 -0.101 0.000 1.130 25 S HN 0.349 nan 8.310 nan 0.000 0.467 26 F N 1.369 121.347 119.950 0.046 0.000 2.399 26 F HA 0.442 4.982 4.527 0.023 0.000 0.328 26 F C 0.998 176.823 175.800 0.043 0.000 1.084 26 F CA -0.554 57.486 58.000 0.068 0.000 1.053 26 F CB 0.698 39.741 39.000 0.071 0.000 1.209 26 F HN 0.522 nan 8.300 nan 0.000 0.502 27 D N 1.691 122.246 120.400 0.259 0.000 2.361 27 D HA 0.139 4.795 4.640 0.026 0.000 0.239 27 D C -2.217 174.170 176.300 0.145 0.000 1.200 27 D CA -0.779 53.314 54.000 0.154 0.000 0.915 27 D CB 0.160 41.031 40.800 0.118 0.000 1.170 27 D HN 0.124 nan 8.370 nan 0.000 0.444 28 P HA 0.080 nan 4.420 nan 0.000 0.265 28 P C -2.293 175.021 177.300 0.024 0.000 1.187 28 P CA -0.636 62.489 63.100 0.043 0.000 0.766 28 P CB -0.384 31.331 31.700 0.025 0.000 0.820 29 P HA 0.071 nan 4.420 nan 0.000 0.266 29 P C -0.750 176.474 177.300 -0.127 0.000 1.195 29 P CA 0.394 63.454 63.100 -0.067 0.000 0.768 29 P CB 0.379 31.997 31.700 -0.137 0.000 0.838 30 T N 1.768 116.256 114.554 -0.110 0.000 2.906 30 T HA 0.514 4.879 4.350 0.026 0.000 0.295 30 T C -0.259 174.347 174.700 -0.157 0.000 1.061 30 T CA -0.334 61.676 62.100 -0.149 0.000 1.000 30 T CB 0.707 69.569 68.868 -0.010 0.000 1.103 30 T HN 0.043 nan 8.240 nan 0.000 0.486 31 F N 2.892 122.920 119.950 0.131 0.000 2.399 31 F HA 0.415 4.957 4.527 0.025 0.000 0.342 31 F C -1.452 174.408 175.800 0.100 0.000 1.106 31 F CA -2.120 55.983 58.000 0.172 0.000 1.196 31 F CB 0.025 39.124 39.000 0.164 0.000 1.163 31 F HN 0.274 nan 8.300 nan 0.000 0.547 32 P HA 0.211 nan 4.420 nan 0.000 0.271 32 P C -0.806 176.582 177.300 0.148 0.000 1.216 32 P CA -0.395 62.828 63.100 0.204 0.000 0.776 32 P CB 0.728 32.570 31.700 0.237 0.000 0.881 33 A N 3.466 126.329 122.820 0.071 0.000 2.520 33 A HA 0.092 4.427 4.320 0.026 0.000 0.235 33 A C 0.368 177.987 177.584 0.059 0.000 1.065 33 A CA -0.362 51.693 52.037 0.030 0.000 0.764 33 A CB -0.402 18.607 19.000 0.016 0.000 1.002 33 A HN 0.650 nan 8.150 nan 0.000 0.502 34 L N 2.349 123.594 121.223 0.036 0.000 2.578 34 L HA 0.363 4.719 4.340 0.026 0.000 0.279 34 L C 1.384 178.301 176.870 0.080 0.000 1.227 34 L CA 2.247 57.138 54.840 0.084 0.000 0.900 34 L CB 0.029 42.121 42.059 0.055 0.000 1.144 34 L HN 1.629 nan 8.230 nan 0.000 0.496 35 G N 1.791 110.655 108.800 0.106 0.000 2.194 35 G HA2 -0.237 3.739 3.960 0.026 0.000 0.236 35 G HA3 -0.237 3.739 3.960 0.026 0.000 0.236 35 G C 0.303 175.249 174.900 0.076 0.000 0.987 35 G CA 0.429 45.575 45.100 0.077 0.000 0.635 35 G HN 1.124 nan 8.290 nan 0.000 0.520 36 T N -1.131 113.480 114.554 0.095 0.000 2.930 36 T HA 0.835 5.200 4.350 0.026 0.000 0.290 36 T C -0.442 174.365 174.700 0.179 0.000 1.052 36 T CA -0.322 61.805 62.100 0.044 0.000 1.017 36 T CB 2.509 71.353 68.868 -0.040 0.000 1.137 36 T HN 1.537 nan 8.240 nan 0.000 0.511 37 F N -0.908 119.102 119.950 0.100 0.000 2.588 37 F HA 0.849 5.384 4.527 0.014 0.000 0.314 37 F C -0.593 175.289 175.800 0.136 0.000 1.069 37 F CA -1.167 56.943 58.000 0.183 0.000 0.931 37 F CB 1.453 40.544 39.000 0.152 0.000 1.260 37 F HN 0.573 nan 8.300 nan 0.000 0.465 38 S N 2.282 118.191 115.700 0.348 0.000 2.578 38 S HA 0.585 5.071 4.470 0.026 0.000 0.283 38 S C -0.737 173.987 174.600 0.207 0.000 1.195 38 S CA -0.821 57.448 58.200 0.116 0.000 1.050 38 S CB 1.160 64.405 63.200 0.076 0.000 1.012 38 S HN 0.753 nan 8.310 nan 0.000 0.511 39 R N 2.024 122.476 120.500 -0.080 0.000 2.561 39 R HA 0.393 4.749 4.340 0.026 0.000 0.297 39 R C -2.012 173.997 176.300 -0.485 0.000 0.969 39 R CA -0.453 55.479 56.100 -0.280 0.000 0.879 39 R CB 0.866 31.058 30.300 -0.181 0.000 1.178 39 R HN 0.641 nan 8.270 nan 0.000 0.445 40 Y N 1.679 121.775 120.300 -0.339 0.000 2.352 40 Y HA 0.305 4.872 4.550 0.029 0.000 0.339 40 Y C -0.037 175.852 175.900 -0.018 0.000 0.992 40 Y CA -0.479 57.532 58.100 -0.149 0.000 1.100 40 Y CB 1.946 40.294 38.460 -0.187 0.000 1.192 40 Y HN 0.545 nan 8.280 nan 0.000 0.458 41 E N 1.962 122.269 120.200 0.178 0.000 2.224 41 E HA 0.621 4.987 4.350 0.026 0.000 0.265 41 E C -1.468 175.340 176.600 0.347 0.000 0.878 41 E CA -0.540 55.974 56.400 0.190 0.000 0.759 41 E CB 1.161 30.825 29.700 -0.060 0.000 1.164 41 E HN 0.606 nan 8.360 nan 0.000 0.414 42 S N 2.080 118.033 115.700 0.422 0.000 2.536 42 S HA 0.649 5.134 4.470 0.026 0.000 0.298 42 S C -0.782 174.031 174.600 0.354 0.000 1.083 42 S CA -0.765 57.678 58.200 0.405 0.000 0.995 42 S CB 1.802 65.343 63.200 0.568 0.000 1.058 42 S HN 0.654 nan 8.310 nan 0.000 0.488 43 T N -1.277 113.350 114.554 0.121 0.000 2.903 43 T HA 0.476 4.841 4.350 0.026 0.000 0.299 43 T C 0.696 174.813 174.700 -0.972 0.000 1.093 43 T CA -0.961 60.988 62.100 -0.253 0.000 1.002 43 T CB 1.667 70.469 68.868 -0.111 0.000 1.127 43 T HN 0.456 nan 8.240 nan 0.000 0.488 44 R N 1.015 120.564 120.500 -1.584 0.000 2.127 44 R HA -0.123 4.232 4.340 0.026 0.000 0.238 44 R C 2.165 178.117 176.300 -0.581 0.000 1.134 44 R CA 2.198 57.399 56.100 -1.498 0.000 0.975 44 R CB -0.763 28.771 30.300 -1.277 0.000 0.865 44 R HN 0.845 nan 8.270 nan 0.000 0.447 45 S N -1.667 113.813 115.700 -0.367 0.000 2.500 45 S HA 0.003 4.489 4.470 0.026 0.000 0.239 45 S C 1.367 175.881 174.600 -0.142 0.000 0.989 45 S CA 1.036 59.124 58.200 -0.186 0.000 0.951 45 S CB 0.310 63.442 63.200 -0.113 0.000 0.759 45 S HN 0.591 nan 8.310 nan 0.000 0.523 46 G N 0.434 109.135 108.800 -0.164 0.000 2.485 46 G HA2 -0.114 3.861 3.960 0.026 0.000 0.181 46 G HA3 -0.114 3.861 3.960 0.026 0.000 0.181 46 G C 0.050 174.911 174.900 -0.065 0.000 0.999 46 G CA -0.640 44.405 45.100 -0.091 0.000 0.721 46 G HN 0.486 nan 8.290 nan 0.000 0.486 47 R N 0.610 121.081 120.500 -0.048 0.000 2.543 47 R HA 0.585 4.940 4.340 0.026 0.000 0.277 47 R C -0.189 176.120 176.300 0.016 0.000 1.074 47 R CA 0.011 56.108 56.100 -0.004 0.000 1.076 47 R CB 0.413 30.733 30.300 0.032 0.000 0.993 47 R HN -0.019 nan 8.270 nan 0.000 0.459 48 R N 3.611 124.101 120.500 -0.017 0.000 2.472 48 R HA 0.170 4.526 4.340 0.026 0.000 0.294 48 R C -0.236 176.120 176.300 0.093 0.000 1.243 48 R CA -0.512 55.515 56.100 -0.122 0.000 1.023 48 R CB 1.125 31.143 30.300 -0.469 0.000 1.157 48 R HN 0.802 nan 8.270 nan 0.000 0.530 49 M N 0.867 120.646 119.600 0.299 0.000 2.175 49 M HA -0.256 4.240 4.480 0.026 0.000 0.192 49 M C -0.437 176.148 176.300 0.475 0.000 0.473 49 M CA 1.292 56.857 55.300 0.442 0.000 0.414 49 M CB -1.158 31.781 32.600 0.565 0.000 1.069 49 M HN 0.402 nan 8.290 nan 0.000 0.933 50 E N 0.886 121.238 120.200 0.254 0.000 2.316 50 E HA 0.337 4.703 4.350 0.026 0.000 0.275 50 E C -0.324 176.266 176.600 -0.016 0.000 1.029 50 E CA -0.554 55.919 56.400 0.121 0.000 0.871 50 E CB 1.100 30.827 29.700 0.045 0.000 1.022 50 E HN 0.279 nan 8.360 nan 0.000 0.418 51 L N 3.110 124.262 121.223 -0.119 0.000 2.292 51 L HA 0.249 4.604 4.340 0.026 0.000 0.284 51 L C -0.432 176.279 176.870 -0.265 0.000 1.065 51 L CA 0.278 54.858 54.840 -0.433 0.000 0.806 51 L CB 0.960 42.786 42.059 -0.387 0.000 1.175 51 L HN 0.549 nan 8.230 nan 0.000 0.431 52 S N 5.484 121.005 115.700 -0.298 0.000 2.697 52 S HA 0.824 5.310 4.470 0.026 0.000 0.289 52 S C -0.717 173.737 174.600 -0.243 0.000 1.149 52 S CA -0.959 57.118 58.200 -0.204 0.000 0.850 52 S CB 1.753 64.869 63.200 -0.140 0.000 1.151 52 S HN 0.810 nan 8.310 nan 0.000 0.491 53 M N 0.876 120.320 119.600 -0.260 0.000 2.550 53 M HA 0.732 5.227 4.480 0.026 0.000 0.292 53 M C -0.818 175.137 176.300 -0.576 0.000 1.221 53 M CA -0.044 55.009 55.300 -0.411 0.000 0.873 53 M CB 1.593 34.031 32.600 -0.270 0.000 1.727 53 M HN 1.155 nan 8.290 nan 0.000 0.459 54 G N 2.862 110.951 108.800 -1.185 0.000 2.766 54 G HA2 0.827 4.803 3.960 0.026 0.000 0.288 54 G HA3 0.827 4.803 3.960 0.026 0.000 0.288 54 G C -3.326 171.178 174.900 -0.660 0.000 1.408 54 G CA -0.900 43.679 45.100 -0.868 0.000 0.852 54 G HN 0.469 nan 8.290 nan 0.000 0.487 55 P HA 0.439 nan 4.420 nan 0.000 0.286 55 P C -0.483 176.934 177.300 0.195 0.000 1.261 55 P CA -0.403 62.700 63.100 0.006 0.000 0.821 55 P CB 1.791 33.507 31.700 0.027 0.000 1.013 56 I N 2.857 123.517 120.570 0.151 0.000 2.325 56 I HA 0.135 4.320 4.170 0.026 0.000 0.291 56 I C 0.994 177.163 176.117 0.086 0.000 1.019 56 I CA -0.446 60.917 61.300 0.105 0.000 1.302 56 I CB 0.535 38.542 38.000 0.012 0.000 1.401 56 I HN 0.150 nan 8.210 nan 0.000 0.485 57 Q N 4.438 124.305 119.800 0.113 0.000 2.259 57 Q HA 0.286 4.642 4.340 0.026 0.000 0.249 57 Q C 0.795 176.914 176.000 0.197 0.000 0.914 57 Q CA -0.213 55.667 55.803 0.129 0.000 0.904 57 Q CB 1.803 30.611 28.738 0.118 0.000 1.213 57 Q HN 0.827 nan 8.270 nan 0.000 0.428 58 A N 3.454 126.362 122.820 0.147 0.000 2.014 58 A HA -0.044 4.292 4.320 0.026 0.000 0.218 58 A C 0.588 178.326 177.584 0.257 0.000 1.163 58 A CA 0.946 53.086 52.037 0.172 0.000 0.652 58 A CB 0.238 19.296 19.000 0.096 0.000 0.808 58 A HN 0.660 nan 8.150 nan 0.000 0.449 59 N N -1.448 117.331 118.700 0.131 0.000 2.405 59 N HA 0.338 5.093 4.740 0.026 0.000 0.285 59 N C -1.676 173.596 175.510 -0.396 0.000 1.262 59 N CA -0.412 52.600 53.050 -0.063 0.000 0.773 59 N CB 1.509 39.963 38.487 -0.055 0.000 1.490 59 N HN 0.424 nan 8.380 nan 0.000 0.486 60 H N 0.235 118.767 119.070 -0.898 0.000 2.947 60 H HA 0.249 4.817 4.556 0.021 0.000 0.354 60 H C -0.514 174.512 175.328 -0.504 0.000 1.085 60 H CA -0.295 55.238 56.048 -0.859 0.000 1.253 60 H CB 1.576 30.392 29.762 -1.577 0.000 1.757 60 H HN 0.664 nan 8.280 nan 0.000 0.523 61 T N 1.645 115.708 114.554 -0.819 0.000 3.225 61 T HA 0.389 4.754 4.350 0.026 0.000 0.347 61 T C 1.133 175.464 174.700 -0.615 0.000 1.254 61 T CA -0.080 61.688 62.100 -0.555 0.000 0.950 61 T CB 0.190 68.854 68.868 -0.340 0.000 1.873 61 T HN 0.580 nan 8.240 nan 0.000 0.563 62 G N -0.466 108.144 108.800 -0.317 0.000 2.531 62 G HA2 0.468 4.444 3.960 0.026 0.000 0.281 62 G HA3 0.468 4.444 3.960 0.026 0.000 0.281 62 G C 0.410 175.214 174.900 -0.161 0.000 1.382 62 G CA -0.019 44.986 45.100 -0.157 0.000 1.045 62 G HN 0.957 nan 8.290 nan 0.000 0.533 63 T N -3.248 111.282 114.554 -0.040 0.000 3.144 63 T HA 0.404 4.769 4.350 0.026 0.000 0.290 63 T C 1.086 175.813 174.700 0.044 0.000 0.966 63 T CA 0.510 62.618 62.100 0.015 0.000 0.907 63 T CB 0.182 69.048 68.868 -0.004 0.000 1.152 63 T HN 0.847 nan 8.240 nan 0.000 0.532 64 G N 2.023 110.859 108.800 0.060 0.000 2.661 64 G HA2 0.394 4.369 3.960 0.026 0.000 0.272 64 G HA3 0.394 4.369 3.960 0.026 0.000 0.272 64 G C 0.002 174.930 174.900 0.048 0.000 1.296 64 G CA -0.696 44.434 45.100 0.050 0.000 0.998 64 G HN 0.488 nan 8.290 nan 0.000 0.553 65 L N -0.622 120.613 121.223 0.020 0.000 2.559 65 L HA 0.352 4.708 4.340 0.026 0.000 0.274 65 L C -0.222 176.640 176.870 -0.014 0.000 1.205 65 L CA -0.084 54.759 54.840 0.005 0.000 0.907 65 L CB 0.497 42.552 42.059 -0.006 0.000 1.153 65 L HN 0.328 nan 8.230 nan 0.000 0.490 66 L N 6.447 127.665 121.223 -0.009 0.000 2.325 66 L HA 0.535 4.891 4.340 0.026 0.000 0.281 66 L C -1.198 175.653 176.870 -0.031 0.000 1.004 66 L CA -0.242 54.578 54.840 -0.033 0.000 0.823 66 L CB 1.376 43.440 42.059 0.010 0.000 1.236 66 L HN 0.560 nan 8.230 nan 0.000 0.415 67 L N 4.925 126.112 121.223 -0.060 0.000 2.280 67 L HA 0.504 4.859 4.340 0.026 0.000 0.287 67 L C -0.225 176.614 176.870 -0.051 0.000 1.023 67 L CA -0.425 54.389 54.840 -0.044 0.000 0.819 67 L CB 1.323 43.354 42.059 -0.045 0.000 1.212 67 L HN 0.553 nan 8.230 nan 0.000 0.420 68 T N 4.052 118.591 114.554 -0.025 0.000 2.749 68 T HA 0.335 4.700 4.350 0.026 0.000 0.287 68 T C -0.080 174.619 174.700 -0.000 0.000 0.970 68 T CA -0.460 61.621 62.100 -0.032 0.000 0.980 68 T CB 1.415 70.271 68.868 -0.021 0.000 0.924 68 T HN 0.239 nan 8.240 nan 0.000 0.456 69 L N 4.023 125.253 121.223 0.012 0.000 2.490 69 L HA 0.131 4.487 4.340 0.026 0.000 0.274 69 L C 0.251 177.140 176.870 0.030 0.000 1.201 69 L CA 0.770 55.641 54.840 0.052 0.000 0.869 69 L CB 0.287 42.415 42.059 0.114 0.000 1.123 69 L HN 0.629 nan 8.230 nan 0.000 0.484 70 Q N 7.020 126.845 119.800 0.041 0.000 2.700 70 Q HA 0.264 4.620 4.340 0.026 0.000 0.249 70 Q C -1.737 174.271 176.000 0.013 0.000 1.033 70 Q CA -1.544 54.274 55.803 0.025 0.000 0.804 70 Q CB 1.038 29.798 28.738 0.036 0.000 1.164 70 Q HN 0.539 nan 8.270 nan 0.000 0.500 71 P HA -0.154 nan 4.420 nan 0.000 0.222 71 P C 0.446 177.728 177.300 -0.030 0.000 1.147 71 P CA 1.107 64.201 63.100 -0.010 0.000 0.790 71 P CB 0.555 32.249 31.700 -0.009 0.000 0.780 72 E N -0.538 119.640 120.200 -0.037 0.000 2.474 72 E HA -0.001 4.364 4.350 0.026 0.000 0.194 72 E C 0.958 177.498 176.600 -0.101 0.000 1.041 72 E CA 0.190 56.556 56.400 -0.056 0.000 0.874 72 E CB -0.199 29.477 29.700 -0.041 0.000 0.914 72 E HN 0.432 nan 8.360 nan 0.000 0.498 73 Q N 2.111 121.841 119.800 -0.117 0.000 2.389 73 Q HA 0.072 4.427 4.340 0.026 0.000 0.244 73 Q C -0.757 175.002 176.000 -0.401 0.000 1.056 73 Q CA -0.250 55.403 55.803 -0.250 0.000 0.908 73 Q CB 0.285 28.936 28.738 -0.145 0.000 1.273 73 Q HN -0.298 nan 8.270 nan 0.000 0.471 74 K N 4.131 124.244 120.400 -0.478 0.000 2.206 74 K HA 0.360 4.696 4.320 0.026 0.000 0.264 74 K C -0.828 175.460 176.600 -0.520 0.000 0.967 74 K CA -0.222 55.857 56.287 -0.347 0.000 0.844 74 K CB 1.161 33.570 32.500 -0.152 0.000 1.099 74 K HN 0.424 nan 8.250 nan 0.000 0.441 75 F N 0.410 120.370 119.950 0.017 0.000 3.114 75 F HA 0.176 4.718 4.527 0.026 0.000 0.195 75 F C 1.222 177.044 175.800 0.037 0.000 1.540 75 F CA -0.620 57.394 58.000 0.023 0.000 0.910 75 F CB -0.091 38.897 39.000 -0.021 0.000 1.972 75 F HN 0.337 nan 8.300 nan 0.000 0.385 76 Q N 2.118 122.078 119.800 0.265 0.000 2.312 76 Q HA 0.306 4.661 4.340 0.026 0.000 0.236 76 Q C -1.432 174.645 176.000 0.128 0.000 0.965 76 Q CA -0.287 55.615 55.803 0.165 0.000 0.894 76 Q CB 1.273 30.092 28.738 0.135 0.000 1.225 76 Q HN 0.490 nan 8.270 nan 0.000 0.478 77 K N 0.800 121.265 120.400 0.108 0.000 2.123 77 K HA 0.460 4.796 4.320 0.026 0.000 0.259 77 K C -0.784 175.862 176.600 0.076 0.000 0.960 77 K CA -0.832 55.508 56.287 0.088 0.000 0.872 77 K CB 1.988 34.534 32.500 0.077 0.000 1.079 77 K HN 0.390 nan 8.250 nan 0.000 0.440 78 V N 3.538 123.488 119.914 0.061 0.000 2.461 78 V HA 0.022 4.158 4.120 0.026 0.000 0.275 78 V C 1.138 177.224 176.094 -0.014 0.000 1.047 78 V CA -0.047 62.267 62.300 0.024 0.000 0.955 78 V CB 1.256 33.119 31.823 0.066 0.000 0.988 78 V HN 0.734 nan 8.190 nan 0.000 0.471 79 K N 3.943 124.317 120.400 -0.043 0.000 2.044 79 K HA 0.309 4.645 4.320 0.026 0.000 0.204 79 K C 0.704 177.193 176.600 -0.185 0.000 1.049 79 K CA 1.503 57.717 56.287 -0.122 0.000 0.945 79 K CB -0.128 32.306 32.500 -0.111 0.000 0.724 79 K HN 0.980 nan 8.250 nan 0.000 0.440 80 G N -2.213 106.432 108.800 -0.259 0.000 2.345 80 G HA2 0.298 4.274 3.960 0.026 0.000 0.285 80 G HA3 0.298 4.274 3.960 0.026 0.000 0.285 80 G C -1.598 172.924 174.900 -0.630 0.000 1.297 80 G CA -0.859 44.081 45.100 -0.266 0.000 0.875 80 G HN 0.014 nan 8.290 nan 0.000 0.506 81 F N -0.275 119.633 119.950 -0.070 0.000 2.601 81 F HA 0.840 5.384 4.527 0.028 0.000 0.309 81 F C 0.757 176.314 175.800 -0.405 0.000 1.089 81 F CA 0.479 58.384 58.000 -0.158 0.000 0.940 81 F CB 2.377 41.312 39.000 -0.108 0.000 1.273 81 F HN 1.254 nan 8.300 nan 0.000 0.450 82 G N 0.073 108.590 108.800 -0.473 0.000 2.450 82 G HA2 0.606 4.582 3.960 0.026 0.000 0.273 82 G HA3 0.606 4.582 3.960 0.026 0.000 0.273 82 G C -1.193 173.309 174.900 -0.664 0.000 1.221 82 G CA 0.003 44.478 45.100 -1.042 0.000 0.900 82 G HN 1.108 nan 8.290 nan 0.000 0.483 83 G N -1.626 107.006 108.800 -0.280 0.000 2.663 83 G HA2 0.761 4.736 3.960 0.026 0.000 0.299 83 G HA3 0.761 4.736 3.960 0.026 0.000 0.299 83 G C -1.226 173.723 174.900 0.081 0.000 1.372 83 G CA 0.487 45.564 45.100 -0.038 0.000 0.781 83 G HN 1.756 nan 8.290 nan 0.000 0.491 84 A N -0.231 122.654 122.820 0.108 0.000 2.276 84 A HA 0.628 4.963 4.320 0.026 0.000 0.316 84 A C -0.097 177.517 177.584 0.050 0.000 1.229 84 A CA -0.586 51.544 52.037 0.154 0.000 0.851 84 A CB 1.180 20.377 19.000 0.329 0.000 1.165 84 A HN 0.737 nan 8.150 nan 0.000 0.513 85 M N 4.173 123.837 119.600 0.106 0.000 3.422 85 M HA 0.181 4.677 4.480 0.026 0.000 0.248 85 M C 0.754 177.080 176.300 0.043 0.000 1.433 85 M CA -0.022 55.322 55.300 0.075 0.000 1.592 85 M CB -0.937 31.732 32.600 0.116 0.000 1.078 85 M HN 0.769 nan 8.290 nan 0.000 0.578 86 T N -1.366 113.139 114.554 -0.081 0.000 2.788 86 T HA 0.231 4.597 4.350 0.026 0.000 0.287 86 T C 0.856 175.538 174.700 -0.031 0.000 1.007 86 T CA -0.622 61.407 62.100 -0.119 0.000 1.005 86 T CB 0.674 69.318 68.868 -0.374 0.000 1.012 86 T HN 0.476 nan 8.240 nan 0.000 0.530 87 D N 0.882 121.286 120.400 0.006 0.000 2.133 87 D HA -0.090 4.565 4.640 0.026 0.000 0.195 87 D C 2.342 178.661 176.300 0.032 0.000 0.997 87 D CA 1.856 55.887 54.000 0.050 0.000 0.840 87 D CB -0.862 39.993 40.800 0.091 0.000 0.947 87 D HN 0.738 nan 8.370 nan 0.000 0.452 88 A N 0.849 123.685 122.820 0.027 0.000 1.902 88 A HA -0.020 4.316 4.320 0.026 0.000 0.217 88 A C 2.308 179.893 177.584 0.003 0.000 1.181 88 A CA 2.288 54.360 52.037 0.058 0.000 0.623 88 A CB -0.776 18.334 19.000 0.183 0.000 0.818 88 A HN 0.242 nan 8.150 nan 0.000 0.443 89 A N -0.141 122.642 122.820 -0.061 0.000 1.877 89 A HA 0.172 4.508 4.320 0.026 0.000 0.216 89 A C 2.527 180.105 177.584 -0.011 0.000 1.186 89 A CA 2.158 54.163 52.037 -0.053 0.000 0.620 89 A CB -1.070 17.880 19.000 -0.083 0.000 0.822 89 A HN 1.042 nan 8.150 nan 0.000 0.443 90 A N -0.538 122.283 122.820 0.001 0.000 1.877 90 A HA -0.019 4.317 4.320 0.026 0.000 0.216 90 A C 2.139 179.729 177.584 0.009 0.000 1.186 90 A CA 1.704 53.749 52.037 0.013 0.000 0.620 90 A CB -0.708 18.309 19.000 0.028 0.000 0.822 90 A HN 0.677 nan 8.150 nan 0.000 0.443 91 L N 0.730 121.962 121.223 0.014 0.000 1.990 91 L HA -0.247 4.109 4.340 0.026 0.000 0.213 91 L C 2.017 178.892 176.870 0.009 0.000 1.072 91 L CA 2.451 57.300 54.840 0.015 0.000 0.755 91 L CB -0.772 41.303 42.059 0.027 0.000 0.889 91 L HN 0.390 nan 8.230 nan 0.000 0.432 92 N N -0.168 118.536 118.700 0.007 0.000 2.084 92 N HA -0.185 4.571 4.740 0.026 0.000 0.190 92 N C 1.996 177.495 175.510 -0.018 0.000 1.030 92 N CA 2.092 55.141 53.050 -0.001 0.000 0.849 92 N CB -0.340 38.146 38.487 -0.002 0.000 1.012 92 N HN 0.440 nan 8.380 nan 0.000 0.423 93 I N 1.190 121.744 120.570 -0.027 0.000 2.163 93 I HA -0.233 3.953 4.170 0.026 0.000 0.243 93 I C 1.965 178.060 176.117 -0.037 0.000 1.085 93 I CA 0.989 62.257 61.300 -0.054 0.000 1.347 93 I CB -0.176 37.800 38.000 -0.039 0.000 1.044 93 I HN 0.048 nan 8.210 nan 0.000 0.408 94 L N 0.220 121.433 121.223 -0.017 0.000 2.478 94 L HA -0.024 4.332 4.340 0.026 0.000 0.223 94 L C 2.402 179.269 176.870 -0.004 0.000 1.140 94 L CA 0.388 55.222 54.840 -0.009 0.000 0.842 94 L CB -0.375 41.682 42.059 -0.003 0.000 0.953 94 L HN 0.202 nan 8.230 nan 0.000 0.452 95 A N -0.452 122.366 122.820 -0.003 0.000 2.208 95 A HA 0.176 4.511 4.320 0.026 0.000 0.209 95 A C 1.063 178.650 177.584 0.005 0.000 1.161 95 A CA 0.058 52.096 52.037 0.003 0.000 0.782 95 A CB -0.142 18.862 19.000 0.006 0.000 0.816 95 A HN 0.229 nan 8.150 nan 0.000 0.477 96 L N 0.783 122.006 121.223 0.001 0.000 2.466 96 L HA 0.235 4.591 4.340 0.026 0.000 0.257 96 L C 1.142 178.021 176.870 0.015 0.000 1.189 96 L CA -0.450 54.398 54.840 0.014 0.000 0.813 96 L CB 0.951 43.018 42.059 0.014 0.000 1.118 96 L HN 0.367 nan 8.230 nan 0.000 0.471 97 S N 0.446 116.161 115.700 0.026 0.000 2.584 97 S HA 0.151 4.636 4.470 0.026 0.000 0.270 97 S C -1.942 172.671 174.600 0.023 0.000 1.346 97 S CA -1.008 57.206 58.200 0.023 0.000 1.018 97 S CB 0.827 64.042 63.200 0.026 0.000 0.899 97 S HN 0.402 nan 8.310 nan 0.000 0.542 98 P HA -0.030 nan 4.420 nan 0.000 0.216 98 P C -1.561 175.753 177.300 0.023 0.000 1.153 98 P CA 1.328 64.437 63.100 0.015 0.000 0.858 98 P CB -1.098 30.609 31.700 0.011 0.000 0.789 99 P HA -0.101 nan 4.420 nan 0.000 0.217 99 P C 1.437 178.779 177.300 0.069 0.000 1.151 99 P CA 1.691 64.815 63.100 0.040 0.000 0.828 99 P CB -0.619 31.102 31.700 0.036 0.000 0.788 100 A N 0.068 122.943 122.820 0.091 0.000 1.883 100 A HA -0.291 4.044 4.320 0.026 0.000 0.217 100 A C 2.256 179.893 177.584 0.088 0.000 1.186 100 A CA 1.820 53.964 52.037 0.178 0.000 0.624 100 A CB -1.488 17.628 19.000 0.193 0.000 0.822 100 A HN 0.187 nan 8.150 nan 0.000 0.444 101 Q N -0.202 119.599 119.800 0.002 0.000 2.062 101 Q HA -0.233 4.123 4.340 0.026 0.000 0.209 101 Q C 1.895 177.867 176.000 -0.047 0.000 0.996 101 Q CA 1.666 57.432 55.803 -0.061 0.000 0.859 101 Q CB -0.369 28.353 28.738 -0.026 0.000 0.920 101 Q HN 0.663 nan 8.270 nan 0.000 0.415 102 N N 0.518 119.221 118.700 0.005 0.000 2.166 102 N HA -0.117 4.639 4.740 0.026 0.000 0.186 102 N C 1.852 177.385 175.510 0.039 0.000 1.019 102 N CA 1.013 54.077 53.050 0.023 0.000 0.856 102 N CB -0.190 38.315 38.487 0.029 0.000 0.993 102 N HN 0.251 nan 8.380 nan 0.000 0.426 103 L N 0.650 121.917 121.223 0.075 0.000 2.093 103 L HA -0.060 4.296 4.340 0.026 0.000 0.208 103 L C 2.416 179.349 176.870 0.106 0.000 1.085 103 L CA 0.506 55.432 54.840 0.144 0.000 0.755 103 L CB -0.345 41.871 42.059 0.263 0.000 0.904 103 L HN 0.133 nan 8.230 nan 0.000 0.435 104 L N -0.284 120.819 121.223 -0.200 0.000 2.017 104 L HA -0.226 4.130 4.340 0.026 0.000 0.208 104 L C 2.472 179.235 176.870 -0.177 0.000 1.073 104 L CA 1.387 55.839 54.840 -0.647 0.000 0.745 104 L CB -0.059 41.314 42.059 -1.143 0.000 0.894 104 L HN 0.184 nan 8.230 nan 0.000 0.432 105 L N -0.434 120.786 121.223 -0.006 0.000 2.093 105 L HA -0.224 4.132 4.340 0.026 0.000 0.208 105 L C 2.628 179.666 176.870 0.280 0.000 1.085 105 L CA 1.322 56.304 54.840 0.237 0.000 0.755 105 L CB -0.483 41.675 42.059 0.166 0.000 0.904 105 L HN 0.233 nan 8.230 nan 0.000 0.435 106 K N -0.389 120.097 120.400 0.143 0.000 2.097 106 K HA -0.121 4.215 4.320 0.026 0.000 0.206 106 K C 2.309 178.971 176.600 0.103 0.000 1.049 106 K CA 1.441 57.807 56.287 0.131 0.000 0.933 106 K CB -0.111 32.440 32.500 0.086 0.000 0.717 106 K HN 0.148 nan 8.250 nan 0.000 0.442 107 S N 0.326 116.047 115.700 0.036 0.000 2.359 107 S HA -0.165 4.321 4.470 0.026 0.000 0.224 107 S C 1.806 176.419 174.600 0.022 0.000 1.035 107 S CA 1.336 59.536 58.200 0.001 0.000 1.018 107 S CB -0.318 62.743 63.200 -0.231 0.000 0.876 107 S HN 0.332 nan 8.310 nan 0.000 0.448 108 Y N -0.833 119.392 120.300 -0.125 0.000 2.243 108 Y HA 0.012 4.578 4.550 0.026 0.000 0.293 108 Y C 1.740 177.198 175.900 -0.736 0.000 1.124 108 Y CA 0.904 58.590 58.100 -0.689 0.000 1.159 108 Y CB -0.007 37.844 38.460 -1.016 0.000 1.008 108 Y HN 0.221 nan 8.280 nan 0.000 0.527 109 F N -2.079 117.945 119.950 0.123 0.000 2.694 109 F HA 0.139 4.683 4.527 0.027 0.000 0.292 109 F C 1.309 177.149 175.800 0.067 0.000 1.121 109 F CA -0.195 57.873 58.000 0.112 0.000 1.352 109 F CB 0.164 39.234 39.000 0.117 0.000 1.107 109 F HN -0.281 nan 8.300 nan 0.000 0.597 110 S N 0.183 116.000 115.700 0.196 0.000 2.652 110 S HA 0.102 4.588 4.470 0.026 0.000 0.270 110 S C 1.345 175.981 174.600 0.060 0.000 1.243 110 S CA -0.555 57.720 58.200 0.126 0.000 0.999 110 S CB 0.853 64.123 63.200 0.116 0.000 0.973 110 S HN 0.120 nan 8.310 nan 0.000 0.544 111 E N 1.839 122.060 120.200 0.034 0.000 2.268 111 E HA -0.096 4.270 4.350 0.026 0.000 0.195 111 E C 1.367 177.981 176.600 0.023 0.000 0.995 111 E CA 0.974 57.363 56.400 -0.018 0.000 0.836 111 E CB -0.168 29.519 29.700 -0.022 0.000 0.763 111 E HN 0.747 nan 8.360 nan 0.000 0.491 112 E N 0.342 120.600 120.200 0.097 0.000 2.478 112 E HA 0.030 4.396 4.350 0.026 0.000 0.198 112 E C 1.116 177.912 176.600 0.327 0.000 1.046 112 E CA 0.423 56.941 56.400 0.196 0.000 0.870 112 E CB 0.284 30.056 29.700 0.119 0.000 0.818 112 E HN 0.138 nan 8.360 nan 0.000 0.527 113 G N 0.938 109.875 108.800 0.228 0.000 3.175 113 G HA2 0.350 4.326 3.960 0.026 0.000 0.153 113 G HA3 0.350 4.326 3.960 0.026 0.000 0.153 113 G C 0.498 175.450 174.900 0.087 0.000 1.216 113 G CA -0.532 44.717 45.100 0.248 0.000 0.943 113 G HN 0.186 nan 8.290 nan 0.000 0.611 114 I N -2.291 118.228 120.570 -0.084 0.000 3.941 114 I HA 0.497 4.683 4.170 0.026 0.000 0.335 114 I C 1.193 177.150 176.117 -0.267 0.000 1.402 114 I CA 0.308 61.418 61.300 -0.317 0.000 1.112 114 I CB 0.410 38.102 38.000 -0.514 0.000 1.043 114 I HN 0.826 nan 8.210 nan 0.000 0.395 115 G N 1.160 109.867 108.800 -0.155 0.000 2.225 115 G HA2 -0.328 3.648 3.960 0.026 0.000 0.267 115 G HA3 -0.328 3.648 3.960 0.026 0.000 0.267 115 G C 0.096 175.052 174.900 0.093 0.000 1.024 115 G CA -0.040 45.026 45.100 -0.057 0.000 0.784 115 G HN 0.656 nan 8.290 nan 0.000 0.507 116 Y N 0.411 120.627 120.300 -0.140 0.000 2.904 116 Y HA -0.019 4.546 4.550 0.025 0.000 0.336 116 Y C 1.676 177.634 175.900 0.096 0.000 1.263 116 Y CA 0.638 58.675 58.100 -0.104 0.000 1.547 116 Y CB 0.479 38.654 38.460 -0.475 0.000 1.272 116 Y HN 0.478 nan 8.280 nan 0.000 0.596 117 N N 3.081 121.906 118.700 0.208 0.000 2.240 117 N HA 0.178 4.934 4.740 0.026 0.000 0.240 117 N C -0.921 174.644 175.510 0.092 0.000 1.277 117 N CA 0.118 53.266 53.050 0.162 0.000 0.873 117 N CB 0.317 38.851 38.487 0.078 0.000 1.222 117 N HN 0.456 nan 8.380 nan 0.000 0.507 118 I N 1.251 121.879 120.570 0.096 0.000 2.498 118 I HA 0.466 4.652 4.170 0.026 0.000 0.290 118 I C -0.771 175.450 176.117 0.174 0.000 1.032 118 I CA -0.866 60.491 61.300 0.095 0.000 1.073 118 I CB 2.248 40.298 38.000 0.083 0.000 1.251 118 I HN -0.162 nan 8.210 nan 0.000 0.426 119 I N 5.549 126.240 120.570 0.202 0.000 2.418 119 I HA 0.422 4.608 4.170 0.026 0.000 0.287 119 I C -0.088 176.176 176.117 0.245 0.000 1.008 119 I CA -0.585 60.848 61.300 0.221 0.000 1.104 119 I CB 1.886 39.996 38.000 0.184 0.000 1.264 119 I HN 0.522 nan 8.210 nan 0.000 0.438 120 R N 5.322 125.977 120.500 0.258 0.000 2.357 120 R HA 0.653 5.009 4.340 0.026 0.000 0.296 120 R C -1.423 175.071 176.300 0.324 0.000 1.052 120 R CA -0.354 55.935 56.100 0.314 0.000 0.988 120 R CB 1.219 31.711 30.300 0.320 0.000 1.025 120 R HN 0.466 nan 8.270 nan 0.000 0.469 121 V N 7.182 127.317 119.914 0.369 0.000 2.409 121 V HA 0.330 4.466 4.120 0.026 0.000 0.290 121 V C -2.261 174.010 176.094 0.296 0.000 1.017 121 V CA -2.157 60.355 62.300 0.353 0.000 0.841 121 V CB 1.629 33.742 31.823 0.483 0.000 1.003 121 V HN 0.847 nan 8.190 nan 0.000 0.426 122 P HA 0.220 nan 4.420 nan 0.000 0.268 122 P C -0.268 177.097 177.300 0.108 0.000 1.204 122 P CA 0.012 63.246 63.100 0.223 0.000 0.768 122 P CB 0.390 32.063 31.700 -0.045 0.000 0.842 123 M N 3.377 122.951 119.600 -0.044 0.000 2.264 123 M HA 0.399 4.895 4.480 0.026 0.000 0.340 123 M C 0.792 177.023 176.300 -0.114 0.000 1.420 123 M CA 0.293 55.483 55.300 -0.183 0.000 1.254 123 M CB -0.640 31.606 32.600 -0.590 0.000 1.575 123 M HN 0.602 nan 8.290 nan 0.000 0.452 124 A N 1.856 124.548 122.820 -0.214 0.000 5.950 124 A HA -0.168 4.167 4.320 0.026 0.000 0.259 124 A C 0.299 177.599 177.584 -0.475 0.000 2.176 124 A CA 0.417 52.124 52.037 -0.551 0.000 0.709 124 A CB -1.727 16.686 19.000 -0.978 0.000 1.054 124 A HN 0.906 nan 8.150 nan 0.000 0.357 125 S N -0.232 114.913 115.700 -0.926 0.000 2.601 125 S HA 0.650 5.136 4.470 0.026 0.000 0.271 125 S C 0.495 174.816 174.600 -0.465 0.000 1.305 125 S CA 0.273 57.980 58.200 -0.821 0.000 1.022 125 S CB 0.721 63.210 63.200 -1.185 0.000 0.940 125 S HN 2.544 nan 8.310 nan 0.000 0.525 126 C N 0.745 119.787 119.300 -0.430 0.000 3.312 126 C HA 0.658 5.134 4.460 0.026 0.000 0.368 126 C C 1.392 176.310 174.990 -0.121 0.000 2.465 126 C CA 0.072 58.790 59.018 -0.501 0.000 1.359 126 C CB 0.496 27.349 27.740 -1.477 0.000 2.896 126 C HN 0.878 nan 8.230 nan 0.000 0.470 127 D N 0.796 121.027 120.400 -0.282 0.000 2.144 127 D HA -0.103 4.552 4.640 0.026 0.000 0.200 127 D C 0.708 176.736 176.300 -0.454 0.000 0.978 127 D CA 1.148 54.842 54.000 -0.509 0.000 0.833 127 D CB -0.590 39.362 40.800 -1.412 0.000 0.961 127 D HN 0.585 nan 8.370 nan 0.000 0.470 128 F N 1.392 121.227 119.950 -0.191 0.000 2.668 128 F HA 0.274 4.816 4.527 0.027 0.000 0.365 128 F C 0.364 176.089 175.800 -0.124 0.000 1.165 128 F CA 0.087 57.976 58.000 -0.185 0.000 1.344 128 F CB -0.169 38.601 39.000 -0.383 0.000 1.658 128 F HN -0.243 nan 8.300 nan 0.000 0.620 129 S N 0.171 115.892 115.700 0.035 0.000 2.588 129 S HA 0.408 4.894 4.470 0.026 0.000 0.275 129 S C 0.900 175.569 174.600 0.115 0.000 1.130 129 S CA -0.782 57.457 58.200 0.066 0.000 0.855 129 S CB 1.685 64.876 63.200 -0.014 0.000 1.116 129 S HN 0.405 nan 8.310 nan 0.000 0.472 130 I N -0.482 120.142 120.570 0.089 0.000 3.419 130 I HA 0.311 4.497 4.170 0.026 0.000 0.286 130 I C 0.654 176.784 176.117 0.022 0.000 1.268 130 I CA 0.260 61.613 61.300 0.088 0.000 1.414 130 I CB -0.096 37.945 38.000 0.068 0.000 1.074 130 I HN 0.503 nan 8.210 nan 0.000 0.457 131 R N 0.889 121.338 120.500 -0.085 0.000 2.733 131 R HA 0.484 4.840 4.340 0.026 0.000 0.272 131 R C -1.027 175.026 176.300 -0.412 0.000 1.029 131 R CA -0.407 55.546 56.100 -0.244 0.000 0.888 131 R CB 0.672 30.933 30.300 -0.064 0.000 1.251 131 R HN 0.080 nan 8.270 nan 0.000 0.464 132 T N -0.746 113.489 114.554 -0.532 0.000 2.907 132 T HA 0.693 5.059 4.350 0.026 0.000 0.284 132 T C -0.543 174.040 174.700 -0.194 0.000 1.004 132 T CA -0.547 61.233 62.100 -0.534 0.000 1.063 132 T CB 0.719 69.213 68.868 -0.623 0.000 0.992 132 T HN 0.671 nan 8.240 nan 0.000 0.483 133 Y N -1.600 118.568 120.300 -0.220 0.000 2.687 133 Y HA 0.648 5.214 4.550 0.026 0.000 0.338 133 Y C -0.550 175.245 175.900 -0.174 0.000 1.189 133 Y CA -1.082 56.924 58.100 -0.157 0.000 1.097 133 Y CB 0.561 38.945 38.460 -0.127 0.000 1.342 133 Y HN 1.005 nan 8.280 nan 0.000 0.461 134 T N -2.508 112.043 114.554 -0.005 0.000 2.773 134 T HA 0.434 4.800 4.350 0.026 0.000 0.278 134 T C -0.335 174.395 174.700 0.051 0.000 1.011 134 T CA -0.665 61.385 62.100 -0.084 0.000 1.014 134 T CB 1.037 69.897 68.868 -0.014 0.000 1.293 134 T HN 0.769 nan 8.240 nan 0.000 0.554 135 Y N -0.056 120.339 120.300 0.158 0.000 2.546 135 Y HA 0.465 5.030 4.550 0.026 0.000 0.287 135 Y C 1.586 177.340 175.900 -0.243 0.000 1.158 135 Y CA -0.145 57.761 58.100 -0.324 0.000 1.307 135 Y CB 0.341 38.080 38.460 -1.201 0.000 1.036 135 Y HN 0.774 nan 8.280 nan 0.000 0.532 136 A N -0.321 122.691 122.820 0.319 0.000 3.409 136 A HA 0.248 4.584 4.320 0.026 0.000 0.282 136 A C -0.245 177.656 177.584 0.529 0.000 1.064 136 A CA -0.463 51.850 52.037 0.460 0.000 0.889 136 A CB -0.167 19.286 19.000 0.754 0.000 1.251 136 A HN 0.133 nan 8.150 nan 0.000 0.538 137 D N 0.467 121.070 120.400 0.339 0.000 2.349 137 D HA 0.013 4.668 4.640 0.026 0.000 0.215 137 D C 0.269 176.724 176.300 0.258 0.000 1.016 137 D CA 0.851 55.038 54.000 0.312 0.000 0.870 137 D CB 0.398 41.302 40.800 0.173 0.000 0.917 137 D HN 0.411 nan 8.370 nan 0.000 0.524 138 T N 3.692 118.348 114.554 0.169 0.000 2.784 138 T HA 0.130 4.496 4.350 0.026 0.000 0.291 138 T C -2.399 172.089 174.700 -0.354 0.000 0.942 138 T CA -1.063 61.018 62.100 -0.032 0.000 1.161 138 T CB 1.067 69.917 68.868 -0.030 0.000 0.885 138 T HN -0.041 nan 8.240 nan 0.000 0.534 139 P HA 0.070 nan 4.420 nan 0.000 0.264 139 P C 0.197 176.882 177.300 -1.026 0.000 1.183 139 P CA 0.268 62.953 63.100 -0.693 0.000 0.763 139 P CB 0.250 31.812 31.700 -0.231 0.000 0.807 140 D N 0.102 119.470 120.400 -1.719 0.000 2.945 140 D HA -0.189 4.467 4.640 0.026 0.000 0.225 140 D C -0.020 175.459 176.300 -1.368 0.000 1.158 140 D CA 0.981 54.138 54.000 -1.404 0.000 0.805 140 D CB -1.683 38.856 40.800 -0.436 0.000 1.098 140 D HN 0.474 nan 8.370 nan 0.000 0.426 141 D N -0.607 118.775 120.400 -1.696 0.000 2.934 141 D HA 0.096 4.751 4.640 0.026 0.000 0.237 141 D C 1.170 177.300 176.300 -0.285 0.000 1.158 141 D CA -0.251 53.340 54.000 -0.681 0.000 0.971 141 D CB -0.856 39.765 40.800 -0.298 0.000 1.123 141 D HN 0.184 nan 8.370 nan 0.000 0.467 142 F N 0.087 120.024 119.950 -0.021 0.000 2.250 142 F HA -0.158 4.385 4.527 0.026 0.000 0.301 142 F C 2.390 178.339 175.800 0.248 0.000 1.077 142 F CA 0.794 58.944 58.000 0.249 0.000 1.348 142 F CB 0.021 39.100 39.000 0.131 0.000 1.040 142 F HN 0.251 nan 8.300 nan 0.000 0.509 143 Q N 0.024 120.021 119.800 0.328 0.000 2.451 143 Q HA 0.061 4.417 4.340 0.026 0.000 0.206 143 Q C 1.109 177.282 176.000 0.288 0.000 0.947 143 Q CA 0.334 56.300 55.803 0.273 0.000 0.937 143 Q CB 0.064 28.929 28.738 0.211 0.000 1.025 143 Q HN 0.523 nan 8.270 nan 0.000 0.511 144 L N 0.333 121.762 121.223 0.345 0.000 3.717 144 L HA -0.307 4.049 4.340 0.026 0.000 0.414 144 L C 1.109 178.174 176.870 0.324 0.000 1.228 144 L CA 0.298 55.377 54.840 0.398 0.000 0.918 144 L CB -1.795 40.511 42.059 0.411 0.000 1.865 144 L HN 0.321 nan 8.230 nan 0.000 0.922 145 H N 0.661 119.841 119.070 0.183 0.000 2.423 145 H HA -0.001 4.571 4.556 0.026 0.000 0.297 145 H C 1.600 177.020 175.328 0.154 0.000 1.075 145 H CA 2.060 58.190 56.048 0.137 0.000 1.342 145 H CB 0.306 30.120 29.762 0.087 0.000 1.395 145 H HN 0.424 nan 8.280 nan 0.000 0.530 146 N N 0.128 118.985 118.700 0.261 0.000 2.320 146 N HA -0.019 4.736 4.740 0.026 0.000 0.237 146 N C -0.851 174.802 175.510 0.239 0.000 1.129 146 N CA -0.137 53.031 53.050 0.196 0.000 0.854 146 N CB -0.019 38.572 38.487 0.172 0.000 1.083 146 N HN 0.200 nan 8.380 nan 0.000 0.504 147 F N 2.702 122.732 119.950 0.134 0.000 2.495 147 F HA 0.129 4.672 4.527 0.026 0.000 0.365 147 F C 0.583 176.424 175.800 0.069 0.000 1.090 147 F CA -0.015 58.068 58.000 0.138 0.000 1.235 147 F CB 0.494 39.547 39.000 0.089 0.000 1.119 147 F HN -0.023 nan 8.300 nan 0.000 0.562 148 S N 5.679 121.272 115.700 -0.179 0.000 2.578 148 S HA 0.502 4.987 4.470 0.026 0.000 0.272 148 S C -1.450 173.052 174.600 -0.164 0.000 1.145 148 S CA -1.270 56.908 58.200 -0.037 0.000 0.835 148 S CB 0.905 64.128 63.200 0.039 0.000 1.104 148 S HN 0.677 nan 8.310 nan 0.000 0.458 149 L N 2.557 123.724 121.223 -0.095 0.000 2.319 149 L HA 0.489 4.844 4.340 0.026 0.000 0.280 149 L C -1.679 175.191 176.870 0.001 0.000 1.099 149 L CA -1.599 53.206 54.840 -0.058 0.000 0.828 149 L CB 0.552 42.539 42.059 -0.119 0.000 1.150 149 L HN 0.607 nan 8.230 nan 0.000 0.442 150 P HA 0.144 nan 4.420 nan 0.000 0.293 150 P C 0.142 177.382 177.300 -0.101 0.000 1.304 150 P CA -0.487 62.553 63.100 -0.100 0.000 0.767 150 P CB 0.946 32.464 31.700 -0.303 0.000 1.247 151 E N -0.327 119.799 120.200 -0.124 0.000 2.209 151 E HA -0.209 4.157 4.350 0.026 0.000 0.196 151 E C 1.632 178.184 176.600 -0.079 0.000 0.993 151 E CA 1.267 57.613 56.400 -0.090 0.000 0.819 151 E CB -0.119 29.533 29.700 -0.080 0.000 0.745 151 E HN 0.468 nan 8.360 nan 0.000 0.477 152 E N 0.759 120.891 120.200 -0.114 0.000 2.160 152 E HA -0.192 4.174 4.350 0.026 0.000 0.195 152 E C 1.260 177.889 176.600 0.047 0.000 0.991 152 E CA 1.569 57.948 56.400 -0.035 0.000 0.810 152 E CB -0.002 29.674 29.700 -0.039 0.000 0.742 152 E HN 0.311 nan 8.360 nan 0.000 0.466 153 D N -1.502 118.931 120.400 0.055 0.000 2.202 153 D HA -0.074 4.582 4.640 0.026 0.000 0.214 153 D C 1.967 178.188 176.300 -0.132 0.000 0.967 153 D CA 1.815 55.843 54.000 0.047 0.000 0.871 153 D CB -0.180 40.681 40.800 0.103 0.000 1.020 153 D HN 0.246 nan 8.370 nan 0.000 0.474 154 T N -1.498 112.961 114.554 -0.159 0.000 2.985 154 T HA 0.029 4.394 4.350 0.026 0.000 0.266 154 T C 1.569 176.218 174.700 -0.085 0.000 1.076 154 T CA 0.591 62.576 62.100 -0.192 0.000 1.135 154 T CB 0.116 68.920 68.868 -0.107 0.000 0.890 154 T HN -0.127 nan 8.240 nan 0.000 0.480 155 K N 0.355 120.723 120.400 -0.055 0.000 2.335 155 K HA 0.441 4.777 4.320 0.026 0.000 0.195 155 K C 1.835 178.423 176.600 -0.019 0.000 1.058 155 K CA 0.237 56.507 56.287 -0.028 0.000 0.988 155 K CB 0.214 32.699 32.500 -0.025 0.000 0.880 155 K HN 0.390 nan 8.250 nan 0.000 0.513 156 L N -0.060 121.153 121.223 -0.016 0.000 2.783 156 L HA 0.144 4.499 4.340 0.026 0.000 0.174 156 L C 2.055 178.930 176.870 0.008 0.000 1.235 156 L CA 0.175 55.016 54.840 0.001 0.000 0.862 156 L CB -0.288 41.778 42.059 0.013 0.000 1.249 156 L HN -0.124 nan 8.230 nan 0.000 0.518 157 K N 0.729 121.148 120.400 0.031 0.000 2.025 157 K HA -0.055 4.281 4.320 0.026 0.000 0.207 157 K C 2.010 178.615 176.600 0.008 0.000 1.049 157 K CA 1.405 57.729 56.287 0.062 0.000 0.933 157 K CB -0.140 32.458 32.500 0.164 0.000 0.714 157 K HN 0.149 nan 8.250 nan 0.000 0.438 158 I N 0.980 121.508 120.570 -0.070 0.000 2.142 158 I HA -0.202 3.984 4.170 0.026 0.000 0.240 158 I C -1.005 175.043 176.117 -0.115 0.000 1.078 158 I CA 1.137 62.317 61.300 -0.200 0.000 1.343 158 I CB -0.947 36.795 38.000 -0.430 0.000 1.046 158 I HN 0.069 nan 8.210 nan 0.000 0.405 159 P HA -0.167 nan 4.420 nan 0.000 0.215 159 P C 1.900 179.217 177.300 0.028 0.000 1.153 159 P CA 1.506 64.645 63.100 0.064 0.000 0.853 159 P CB 0.002 31.722 31.700 0.033 0.000 0.788 160 L N -1.706 119.510 121.223 -0.012 0.000 2.109 160 L HA -0.113 4.243 4.340 0.026 0.000 0.207 160 L C 2.395 179.210 176.870 -0.091 0.000 1.086 160 L CA 1.093 55.915 54.840 -0.030 0.000 0.760 160 L CB -0.657 41.395 42.059 -0.012 0.000 0.910 160 L HN -0.070 nan 8.230 nan 0.000 0.437 161 I N -0.822 119.679 120.570 -0.116 0.000 2.179 161 I HA -0.326 3.859 4.170 0.026 0.000 0.242 161 I C 2.403 178.403 176.117 -0.196 0.000 1.088 161 I CA 1.421 62.605 61.300 -0.194 0.000 1.357 161 I CB -0.357 37.538 38.000 -0.175 0.000 1.051 161 I HN 0.257 nan 8.210 nan 0.000 0.409 162 H N 0.202 119.213 119.070 -0.099 0.000 2.319 162 H HA -0.145 4.427 4.556 0.026 0.000 0.299 162 H C 2.496 177.763 175.328 -0.102 0.000 1.092 162 H CA 1.415 57.410 56.048 -0.088 0.000 1.302 162 H CB 0.051 29.777 29.762 -0.059 0.000 1.373 162 H HN 0.176 nan 8.280 nan 0.000 0.497 163 R N 0.202 120.720 120.500 0.030 0.000 2.081 163 R HA -0.105 4.250 4.340 0.026 0.000 0.235 163 R C 2.603 178.845 176.300 -0.097 0.000 1.131 163 R CA 0.931 57.018 56.100 -0.021 0.000 0.960 163 R CB -0.218 30.075 30.300 -0.013 0.000 0.856 163 R HN 0.283 nan 8.270 nan 0.000 0.436 164 A N 1.304 123.975 122.820 -0.249 0.000 1.883 164 A HA -0.139 4.197 4.320 0.026 0.000 0.217 164 A C 2.163 179.525 177.584 -0.369 0.000 1.186 164 A CA 1.232 52.926 52.037 -0.572 0.000 0.624 164 A CB -0.584 17.618 19.000 -1.330 0.000 0.822 164 A HN 0.178 nan 8.150 nan 0.000 0.444 165 L N -0.964 120.116 121.223 -0.239 0.000 2.141 165 L HA -0.209 4.147 4.340 0.026 0.000 0.209 165 L C 2.851 179.704 176.870 -0.028 0.000 1.094 165 L CA 1.699 56.478 54.840 -0.101 0.000 0.763 165 L CB -0.660 41.364 42.059 -0.058 0.000 0.908 165 L HN 0.610 nan 8.230 nan 0.000 0.437 166 Q N 0.568 120.356 119.800 -0.020 0.000 2.170 166 Q HA -0.172 4.184 4.340 0.026 0.000 0.203 166 Q C 2.254 178.263 176.000 0.016 0.000 0.976 166 Q CA 1.267 57.071 55.803 0.001 0.000 0.858 166 Q CB 0.104 28.841 28.738 -0.000 0.000 0.907 166 Q HN 0.533 nan 8.270 nan 0.000 0.433 167 L N 0.119 121.356 121.223 0.023 0.000 2.375 167 L HA 0.185 4.541 4.340 0.026 0.000 0.215 167 L C 0.862 177.792 176.870 0.101 0.000 1.108 167 L CA -0.133 54.747 54.840 0.066 0.000 0.830 167 L CB -0.030 42.089 42.059 0.100 0.000 0.959 167 L HN 0.085 nan 8.230 nan 0.000 0.457 168 A N -0.380 122.503 122.820 0.105 0.000 2.401 168 A HA 0.156 4.491 4.320 0.026 0.000 0.259 168 A C 0.869 178.502 177.584 0.080 0.000 1.103 168 A CA -0.304 51.816 52.037 0.137 0.000 0.789 168 A CB 0.694 19.798 19.000 0.172 0.000 1.035 168 A HN 0.165 nan 8.150 nan 0.000 0.491 169 Q N 0.954 120.796 119.800 0.070 0.000 2.204 169 Q HA -0.001 4.355 4.340 0.026 0.000 0.198 169 Q C 0.256 176.281 176.000 0.041 0.000 0.946 169 Q CA 0.890 56.720 55.803 0.045 0.000 0.859 169 Q CB 0.056 28.812 28.738 0.031 0.000 0.946 169 Q HN 0.779 nan 8.270 nan 0.000 0.474 170 R N 1.742 122.270 120.500 0.048 0.000 2.490 170 R HA 0.195 4.550 4.340 0.026 0.000 0.280 170 R C -2.248 174.078 176.300 0.043 0.000 1.077 170 R CA -1.608 54.515 56.100 0.039 0.000 1.065 170 R CB -0.273 30.051 30.300 0.041 0.000 1.003 170 R HN -0.021 nan 8.270 nan 0.000 0.470 171 P HA -0.051 nan 4.420 nan 0.000 0.262 171 P C -0.764 176.544 177.300 0.012 0.000 1.182 171 P CA 0.121 63.228 63.100 0.012 0.000 0.761 171 P CB 0.500 32.197 31.700 -0.005 0.000 0.795 172 V N 3.498 123.423 119.914 0.019 0.000 2.427 172 V HA 0.251 4.387 4.120 0.026 0.000 0.286 172 V C 0.454 176.543 176.094 -0.008 0.000 1.034 172 V CA -0.198 62.123 62.300 0.035 0.000 0.893 172 V CB 1.590 33.450 31.823 0.061 0.000 0.982 172 V HN 0.452 nan 8.190 nan 0.000 0.452 173 S N 5.559 121.243 115.700 -0.027 0.000 2.457 173 S HA 0.628 5.114 4.470 0.026 0.000 0.289 173 S C -0.350 174.319 174.600 0.115 0.000 1.163 173 S CA -0.474 57.720 58.200 -0.010 0.000 1.078 173 S CB 0.626 63.648 63.200 -0.296 0.000 0.987 173 S HN 0.484 nan 8.310 nan 0.000 0.482 174 L N 3.751 125.041 121.223 0.112 0.000 2.307 174 L HA 0.605 4.961 4.340 0.026 0.000 0.282 174 L C -0.627 176.501 176.870 0.430 0.000 1.051 174 L CA -0.859 54.018 54.840 0.062 0.000 0.804 174 L CB 0.945 42.657 42.059 -0.579 0.000 1.197 174 L HN 0.414 nan 8.230 nan 0.000 0.431 175 L N 3.344 124.876 121.223 0.516 0.000 2.376 175 L HA 0.824 5.180 4.340 0.026 0.000 0.275 175 L C -0.563 176.557 176.870 0.417 0.000 0.987 175 L CA -0.144 54.968 54.840 0.454 0.000 0.828 175 L CB 1.572 43.849 42.059 0.364 0.000 1.249 175 L HN 0.657 nan 8.230 nan 0.000 0.409 176 A N 3.194 126.121 122.820 0.178 0.000 2.340 176 A HA 0.931 5.266 4.320 0.026 0.000 0.331 176 A C -0.755 176.774 177.584 -0.092 0.000 1.140 176 A CA -0.469 51.526 52.037 -0.071 0.000 0.801 176 A CB 1.314 19.934 19.000 -0.634 0.000 1.234 176 A HN 0.697 nan 8.150 nan 0.000 0.469 177 S N 2.608 118.290 115.700 -0.031 0.000 2.619 177 S HA 0.693 5.179 4.470 0.026 0.000 0.280 177 S C -3.088 171.579 174.600 0.112 0.000 1.150 177 S CA -0.831 57.380 58.200 0.018 0.000 0.978 177 S CB 2.286 65.522 63.200 0.059 0.000 1.041 177 S HN 0.637 nan 8.310 nan 0.000 0.485 178 P HA 0.314 nan 4.420 nan 0.000 0.292 178 P C 0.100 177.594 177.300 0.323 0.000 1.283 178 P CA -0.688 62.520 63.100 0.180 0.000 0.835 178 P CB 1.119 32.860 31.700 0.067 0.000 1.017 179 W N 0.953 122.281 121.300 0.046 0.000 2.601 179 W HA 0.031 4.707 4.660 0.026 0.000 0.292 179 W C 0.837 177.357 176.519 0.000 0.000 1.153 179 W CA 0.689 58.080 57.345 0.077 0.000 1.448 179 W CB 0.133 29.686 29.460 0.155 0.000 1.113 179 W HN 0.241 nan 8.180 nan 0.000 0.548 180 T N 0.202 114.854 114.554 0.164 0.000 2.908 180 T HA 0.329 4.694 4.350 0.026 0.000 0.290 180 T C 0.019 174.516 174.700 -0.340 0.000 1.034 180 T CA -0.467 61.562 62.100 -0.119 0.000 1.010 180 T CB 1.506 70.307 68.868 -0.112 0.000 1.068 180 T HN -0.056 nan 8.240 nan 0.000 0.481 181 S N 3.645 118.846 115.700 -0.831 0.000 2.645 181 S HA 0.596 5.082 4.470 0.026 0.000 0.266 181 S C -2.685 171.481 174.600 -0.724 0.000 1.258 181 S CA -1.203 56.234 58.200 -1.271 0.000 0.990 181 S CB 0.144 62.204 63.200 -1.900 0.000 0.967 181 S HN 0.538 nan 8.310 nan 0.000 0.556 182 P HA 0.020 nan 4.420 nan 0.000 0.266 182 P C 1.201 178.066 177.300 -0.724 0.000 1.186 182 P CA 0.275 62.997 63.100 -0.630 0.000 0.767 182 P CB 0.162 31.281 31.700 -0.968 0.000 0.820 183 T N -1.196 113.119 114.554 -0.400 0.000 2.915 183 T HA -0.134 4.232 4.350 0.026 0.000 0.269 183 T C 1.348 175.939 174.700 -0.182 0.000 1.071 183 T CA 0.674 62.628 62.100 -0.243 0.000 1.132 183 T CB -0.752 68.075 68.868 -0.070 0.000 0.878 183 T HN 0.582 nan 8.240 nan 0.000 0.479 184 W N 1.131 122.376 121.300 -0.091 0.000 2.825 184 W HA 0.312 4.988 4.660 0.026 0.000 0.243 184 W C 0.858 177.371 176.519 -0.010 0.000 1.293 184 W CA -0.380 56.933 57.345 -0.054 0.000 1.403 184 W CB -0.845 28.573 29.460 -0.070 0.000 1.134 184 W HN 0.255 nan 8.180 nan 0.000 0.666 185 L N 0.815 121.781 121.223 -0.428 0.000 2.592 185 L HA 0.174 4.530 4.340 0.026 0.000 0.227 185 L C 0.673 177.321 176.870 -0.370 0.000 1.127 185 L CA 0.617 55.271 54.840 -0.310 0.000 0.884 185 L CB -0.212 41.484 42.059 -0.606 0.000 1.065 185 L HN -0.249 nan 8.230 nan 0.000 0.457 186 K N -0.682 119.510 120.400 -0.348 0.000 2.156 186 K HA 0.247 4.583 4.320 0.026 0.000 0.254 186 K C 1.180 177.627 176.600 -0.256 0.000 0.950 186 K CA -0.063 56.015 56.287 -0.348 0.000 0.849 186 K CB 1.738 34.036 32.500 -0.336 0.000 1.100 186 K HN -0.099 nan 8.250 nan 0.000 0.434 187 T N -1.794 112.605 114.554 -0.259 0.000 2.833 187 T HA -0.170 4.196 4.350 0.026 0.000 0.269 187 T C 1.228 175.846 174.700 -0.136 0.000 1.054 187 T CA 1.482 63.465 62.100 -0.195 0.000 1.135 187 T CB -0.245 68.513 68.868 -0.184 0.000 0.869 187 T HN 0.679 nan 8.240 nan 0.000 0.466 188 N N 1.346 119.965 118.700 -0.135 0.000 2.280 188 N HA 0.163 4.918 4.740 0.026 0.000 0.192 188 N C 1.513 176.979 175.510 -0.074 0.000 1.109 188 N CA 0.614 53.607 53.050 -0.094 0.000 0.855 188 N CB -0.473 37.960 38.487 -0.090 0.000 0.974 188 N HN 0.627 nan 8.380 nan 0.000 0.482 189 G N -0.073 108.675 108.800 -0.086 0.000 2.283 189 G HA2 -0.070 3.906 3.960 0.026 0.000 0.280 189 G HA3 -0.070 3.906 3.960 0.026 0.000 0.280 189 G C 0.034 174.905 174.900 -0.048 0.000 1.029 189 G CA 0.572 45.641 45.100 -0.052 0.000 0.840 189 G HN 0.906 nan 8.290 nan 0.000 0.505 190 A N -1.728 121.048 122.820 -0.074 0.000 2.539 190 A HA 0.874 5.210 4.320 0.026 0.000 0.296 190 A C 1.174 178.715 177.584 -0.072 0.000 1.073 190 A CA 0.291 52.297 52.037 -0.051 0.000 0.700 190 A CB 1.136 20.122 19.000 -0.024 0.000 1.296 190 A HN 1.488 nan 8.150 nan 0.000 0.405 191 V N -0.692 119.194 119.914 -0.048 0.000 2.548 191 V HA 0.014 4.149 4.120 0.026 0.000 0.249 191 V C 0.767 176.879 176.094 0.031 0.000 1.055 191 V CA 1.832 64.106 62.300 -0.044 0.000 1.065 191 V CB -1.474 30.322 31.823 -0.046 0.000 0.681 191 V HN 0.930 nan 8.190 nan 0.000 0.462 192 N N 0.695 119.442 118.700 0.078 0.000 2.879 192 N HA 0.617 5.372 4.740 0.026 0.000 0.329 192 N C 0.533 176.070 175.510 0.046 0.000 1.337 192 N CA 0.251 53.371 53.050 0.117 0.000 0.844 192 N CB 0.453 39.056 38.487 0.193 0.000 1.236 192 N HN 0.913 nan 8.380 nan 0.000 0.601 193 G N -0.565 108.267 108.800 0.055 0.000 2.877 193 G HA2 -0.239 3.736 3.960 0.026 0.000 0.279 193 G HA3 -0.239 3.736 3.960 0.026 0.000 0.279 193 G C -0.785 174.105 174.900 -0.015 0.000 1.431 193 G CA -0.039 45.072 45.100 0.020 0.000 0.883 193 G HN 0.911 nan 8.290 nan 0.000 0.547 194 K N 0.558 120.936 120.400 -0.036 0.000 2.349 194 K HA 0.548 4.884 4.320 0.026 0.000 0.289 194 K C 0.541 177.079 176.600 -0.104 0.000 1.064 194 K CA 0.487 56.731 56.287 -0.072 0.000 0.947 194 K CB -0.114 32.351 32.500 -0.058 0.000 1.007 194 K HN 1.739 nan 8.250 nan 0.000 0.478 195 G N 1.764 110.476 108.800 -0.148 0.000 2.473 195 G HA2 0.296 4.272 3.960 0.026 0.000 0.298 195 G HA3 0.296 4.272 3.960 0.026 0.000 0.298 195 G C -1.425 173.310 174.900 -0.275 0.000 1.575 195 G CA -0.631 44.355 45.100 -0.190 0.000 0.846 195 G HN 0.644 nan 8.290 nan 0.000 0.585 196 S N 0.071 115.584 115.700 -0.312 0.000 2.810 196 S HA 0.808 5.293 4.470 0.026 0.000 0.315 196 S C -0.065 174.252 174.600 -0.470 0.000 1.138 196 S CA -0.991 56.941 58.200 -0.448 0.000 0.889 196 S CB 1.178 64.189 63.200 -0.315 0.000 1.236 196 S HN 0.754 nan 8.310 nan 0.000 0.548 197 L N 1.525 122.391 121.223 -0.595 0.000 2.485 197 L HA 0.205 4.561 4.340 0.026 0.000 0.275 197 L C 0.722 177.373 176.870 -0.365 0.000 1.207 197 L CA -0.111 54.382 54.840 -0.580 0.000 0.855 197 L CB 0.176 41.722 42.059 -0.854 0.000 1.114 197 L HN 0.659 nan 8.230 nan 0.000 0.485 198 K N 1.982 122.103 120.400 -0.465 0.000 2.380 198 K HA 0.321 4.657 4.320 0.026 0.000 0.267 198 K C 0.762 177.199 176.600 -0.271 0.000 0.990 198 K CA 0.547 56.506 56.287 -0.546 0.000 0.946 198 K CB 0.389 32.170 32.500 -1.199 0.000 0.937 198 K HN 0.837 nan 8.250 nan 0.000 0.491 199 G N 0.967 109.687 108.800 -0.134 0.000 2.539 199 G HA2 -0.275 3.701 3.960 0.026 0.000 0.256 199 G HA3 -0.275 3.701 3.960 0.026 0.000 0.256 199 G C -0.944 174.035 174.900 0.131 0.000 1.233 199 G CA -0.221 44.941 45.100 0.104 0.000 0.936 199 G HN 0.491 nan 8.290 nan 0.000 0.571 200 Q N 0.554 120.400 119.800 0.078 0.000 2.389 200 Q HA 0.640 4.996 4.340 0.026 0.000 0.277 200 Q C -2.519 173.131 176.000 -0.583 0.000 1.082 200 Q CA -1.389 54.281 55.803 -0.223 0.000 0.810 200 Q CB 2.195 30.866 28.738 -0.111 0.000 1.374 200 Q HN 0.450 nan 8.270 nan 0.000 0.422 201 P HA 0.025 nan 4.420 nan 0.000 0.264 201 P C 0.432 177.662 177.300 -0.116 0.000 1.179 201 P CA 1.775 64.617 63.100 -0.430 0.000 0.763 201 P CB 0.507 32.155 31.700 -0.085 0.000 0.806 202 G N 1.453 110.276 108.800 0.039 0.000 2.268 202 G HA2 -0.211 3.765 3.960 0.026 0.000 0.240 202 G HA3 -0.211 3.765 3.960 0.026 0.000 0.240 202 G C 0.204 175.168 174.900 0.107 0.000 1.010 202 G CA 0.383 45.525 45.100 0.069 0.000 0.618 202 G HN 0.726 nan 8.290 nan 0.000 0.516 203 D N 0.137 120.625 120.400 0.147 0.000 2.478 203 D HA 0.453 5.109 4.640 0.026 0.000 0.269 203 D C 1.805 178.223 176.300 0.196 0.000 1.232 203 D CA -0.374 53.725 54.000 0.164 0.000 1.059 203 D CB 0.272 41.196 40.800 0.207 0.000 1.104 203 D HN 0.301 nan 8.370 nan 0.000 0.566 204 I N -0.743 119.858 120.570 0.052 0.000 2.361 204 I HA -0.284 3.901 4.170 0.026 0.000 0.251 204 I C 1.506 177.676 176.117 0.089 0.000 1.133 204 I CA 1.109 62.373 61.300 -0.060 0.000 1.413 204 I CB -0.078 37.667 38.000 -0.424 0.000 1.073 204 I HN 0.302 nan 8.210 nan 0.000 0.424 205 Y N -0.126 120.343 120.300 0.282 0.000 2.242 205 Y HA -0.228 4.337 4.550 0.026 0.000 0.291 205 Y C 2.453 178.492 175.900 0.232 0.000 1.137 205 Y CA 1.829 60.106 58.100 0.295 0.000 1.181 205 Y CB -0.724 37.835 38.460 0.165 0.000 0.989 205 Y HN 0.270 nan 8.280 nan 0.000 0.527 206 H N -1.205 118.116 119.070 0.417 0.000 2.403 206 H HA -0.063 4.509 4.556 0.026 0.000 0.298 206 H C 2.048 177.671 175.328 0.491 0.000 1.059 206 H CA 1.222 57.540 56.048 0.450 0.000 1.363 206 H CB 0.066 30.090 29.762 0.438 0.000 1.410 206 H HN 0.169 nan 8.280 nan 0.000 0.528 207 Q N -0.146 119.926 119.800 0.454 0.000 2.119 207 Q HA -0.078 4.278 4.340 0.026 0.000 0.201 207 Q C 2.103 178.313 176.000 0.351 0.000 0.972 207 Q CA 1.461 57.463 55.803 0.331 0.000 0.847 207 Q CB -0.317 28.551 28.738 0.217 0.000 0.903 207 Q HN 0.452 nan 8.270 nan 0.000 0.433 208 T N 0.725 115.522 114.554 0.405 0.000 2.708 208 T HA -0.162 4.203 4.350 0.026 0.000 0.266 208 T C 1.222 176.231 174.700 0.515 0.000 1.037 208 T CA 0.947 63.326 62.100 0.464 0.000 1.146 208 T CB -0.378 68.842 68.868 0.586 0.000 0.865 208 T HN 0.508 nan 8.240 nan 0.000 0.435 209 W N 1.638 123.102 121.300 0.274 0.000 2.338 209 W HA -0.158 4.517 4.660 0.026 0.000 0.304 209 W C 2.473 179.312 176.519 0.533 0.000 1.212 209 W CA 0.967 58.467 57.345 0.259 0.000 1.264 209 W CB -0.204 29.283 29.460 0.045 0.000 1.142 209 W HN 0.286 nan 8.180 nan 0.000 0.512 210 A N 0.830 123.904 122.820 0.422 0.000 1.969 210 A HA -0.158 4.178 4.320 0.026 0.000 0.218 210 A C 1.968 179.657 177.584 0.174 0.000 1.169 210 A CA 1.337 53.479 52.037 0.174 0.000 0.635 210 A CB -0.787 18.238 19.000 0.042 0.000 0.810 210 A HN 0.329 nan 8.150 nan 0.000 0.445 211 R N -2.217 118.420 120.500 0.227 0.000 2.115 211 R HA -0.132 4.224 4.340 0.026 0.000 0.230 211 R C 2.031 178.440 176.300 0.180 0.000 1.111 211 R CA 1.482 57.691 56.100 0.182 0.000 0.976 211 R CB -0.456 29.965 30.300 0.201 0.000 0.870 211 R HN 0.730 nan 8.270 nan 0.000 0.445 212 Y N 0.487 120.860 120.300 0.123 0.000 2.165 212 Y HA -0.283 4.282 4.550 0.026 0.000 0.286 212 Y C 1.740 177.625 175.900 -0.026 0.000 1.155 212 Y CA 1.572 59.727 58.100 0.091 0.000 1.164 212 Y CB -0.208 38.358 38.460 0.178 0.000 0.978 212 Y HN -0.099 nan 8.280 nan 0.000 0.513 213 F N -0.871 119.052 119.950 -0.044 0.000 2.095 213 F HA -0.273 4.270 4.527 0.026 0.000 0.298 213 F C 2.378 178.129 175.800 -0.081 0.000 1.104 213 F CA 1.762 59.697 58.000 -0.110 0.000 1.232 213 F CB -1.117 37.759 39.000 -0.207 0.000 0.987 213 F HN -0.129 nan 8.300 nan 0.000 0.475 214 V N 0.021 120.006 119.914 0.118 0.000 2.295 214 V HA -0.284 3.852 4.120 0.026 0.000 0.246 214 V C 2.447 178.484 176.094 -0.095 0.000 1.049 214 V CA 1.654 63.984 62.300 0.049 0.000 1.024 214 V CB -0.582 31.289 31.823 0.081 0.000 0.648 214 V HN 0.221 nan 8.190 nan 0.000 0.447 215 K N -0.377 119.845 120.400 -0.296 0.000 2.097 215 K HA -0.177 4.159 4.320 0.026 0.000 0.206 215 K C 2.061 178.247 176.600 -0.690 0.000 1.049 215 K CA 1.715 57.570 56.287 -0.719 0.000 0.933 215 K CB -0.725 30.851 32.500 -1.540 0.000 0.717 215 K HN 0.547 nan 8.250 nan 0.000 0.442 216 F N 1.887 121.483 119.950 -0.591 0.000 2.102 216 F HA -0.156 4.386 4.527 0.026 0.000 0.298 216 F C 2.000 177.689 175.800 -0.185 0.000 1.105 216 F CA 1.255 59.111 58.000 -0.239 0.000 1.239 216 F CB -0.345 38.526 39.000 -0.215 0.000 0.991 216 F HN -0.133 nan 8.300 nan 0.000 0.474 217 L N 0.104 121.133 121.223 -0.324 0.000 2.083 217 L HA -0.217 4.138 4.340 0.026 0.000 0.209 217 L C 2.177 178.795 176.870 -0.420 0.000 1.083 217 L CA 1.350 55.870 54.840 -0.534 0.000 0.752 217 L CB -0.890 40.722 42.059 -0.746 0.000 0.899 217 L HN 0.127 nan 8.230 nan 0.000 0.433 218 D N 0.294 120.571 120.400 -0.204 0.000 2.104 218 D HA -0.178 4.477 4.640 0.026 0.000 0.194 218 D C 2.233 178.520 176.300 -0.021 0.000 0.994 218 D CA 1.625 55.641 54.000 0.026 0.000 0.830 218 D CB -0.083 40.723 40.800 0.010 0.000 0.959 218 D HN 0.317 nan 8.370 nan 0.000 0.452 219 A N 0.024 122.799 122.820 -0.075 0.000 1.877 219 A HA -0.205 4.131 4.320 0.026 0.000 0.216 219 A C 2.131 179.726 177.584 0.018 0.000 1.186 219 A CA 1.122 53.158 52.037 -0.002 0.000 0.620 219 A CB -1.111 17.913 19.000 0.041 0.000 0.822 219 A HN 0.207 nan 8.150 nan 0.000 0.443 220 Y N 0.060 120.199 120.300 -0.268 0.000 2.165 220 Y HA -0.167 4.399 4.550 0.026 0.000 0.286 220 Y C 2.922 178.815 175.900 -0.012 0.000 1.155 220 Y CA 0.971 58.973 58.100 -0.164 0.000 1.164 220 Y CB -0.604 37.722 38.460 -0.223 0.000 0.978 220 Y HN 0.339 nan 8.280 nan 0.000 0.513 221 A N -0.025 122.857 122.820 0.104 0.000 1.933 221 A HA -0.216 4.120 4.320 0.026 0.000 0.218 221 A C 2.029 179.646 177.584 0.055 0.000 1.175 221 A CA 1.743 53.841 52.037 0.102 0.000 0.628 221 A CB -0.657 18.442 19.000 0.164 0.000 0.814 221 A HN 0.534 nan 8.150 nan 0.000 0.444 222 E N -0.784 119.430 120.200 0.022 0.000 2.209 222 E HA -0.187 4.179 4.350 0.026 0.000 0.196 222 E C 1.001 177.496 176.600 -0.175 0.000 0.993 222 E CA 1.078 57.435 56.400 -0.070 0.000 0.819 222 E CB -0.202 29.443 29.700 -0.091 0.000 0.745 222 E HN 0.717 nan 8.360 nan 0.000 0.477 223 H N 0.115 119.146 119.070 -0.066 0.000 2.519 223 H HA 0.168 4.739 4.556 0.026 0.000 0.289 223 H C -0.088 175.290 175.328 0.083 0.000 1.040 223 H CA 0.216 56.242 56.048 -0.036 0.000 1.165 223 H CB 0.266 29.921 29.762 -0.179 0.000 1.462 223 H HN 0.056 nan 8.280 nan 0.000 0.555 224 K N 0.550 121.020 120.400 0.117 0.000 3.071 224 K HA -0.167 4.168 4.320 0.026 0.000 0.265 224 K C -0.700 175.995 176.600 0.158 0.000 1.060 224 K CA 0.302 56.667 56.287 0.131 0.000 0.767 224 K CB -1.565 30.999 32.500 0.107 0.000 1.241 224 K HN 0.270 nan 8.250 nan 0.000 0.486 225 L N 1.162 122.435 121.223 0.083 0.000 2.362 225 L HA 0.348 4.704 4.340 0.026 0.000 0.275 225 L C 0.140 177.016 176.870 0.010 0.000 0.998 225 L CA -0.903 53.931 54.840 -0.011 0.000 0.820 225 L CB 1.772 43.787 42.059 -0.074 0.000 1.270 225 L HN 0.022 nan 8.230 nan 0.000 0.415 226 Q N 2.396 122.160 119.800 -0.061 0.000 2.345 226 Q HA 0.547 4.903 4.340 0.026 0.000 0.268 226 Q C -1.273 174.634 176.000 -0.156 0.000 1.054 226 Q CA -0.631 55.171 55.803 -0.001 0.000 0.835 226 Q CB 3.045 31.809 28.738 0.043 0.000 1.339 226 Q HN 0.323 nan 8.270 nan 0.000 0.447 227 F N 0.258 120.231 119.950 0.039 0.000 2.422 227 F HA 0.177 4.720 4.527 0.026 0.000 0.333 227 F C 0.936 176.791 175.800 0.092 0.000 1.095 227 F CA -0.699 57.340 58.000 0.065 0.000 1.038 227 F CB 0.883 39.896 39.000 0.022 0.000 1.156 227 F HN 0.715 nan 8.300 nan 0.000 0.483 228 W N 3.486 124.841 121.300 0.091 0.000 2.407 228 W HA 0.402 5.078 4.660 0.027 0.000 0.305 228 W C -0.193 176.339 176.519 0.021 0.000 1.196 228 W CA 1.070 58.427 57.345 0.020 0.000 1.311 228 W CB -0.094 29.351 29.460 -0.025 0.000 1.135 228 W HN 0.435 nan 8.180 nan 0.000 0.514 229 A N 0.191 122.786 122.820 -0.374 0.000 2.606 229 A HA 0.597 4.933 4.320 0.026 0.000 0.293 229 A C -1.300 176.126 177.584 -0.264 0.000 1.082 229 A CA -0.220 51.412 52.037 -0.676 0.000 0.685 229 A CB 0.957 19.018 19.000 -1.564 0.000 1.284 229 A HN 0.549 nan 8.150 nan 0.000 0.408 230 V N -1.072 118.688 119.914 -0.257 0.000 2.914 230 V HA 0.936 5.072 4.120 0.026 0.000 0.314 230 V C 0.058 176.069 176.094 -0.138 0.000 1.084 230 V CA 0.033 62.249 62.300 -0.139 0.000 0.963 230 V CB 1.324 33.133 31.823 -0.023 0.000 1.025 230 V HN 1.597 nan 8.190 nan 0.000 0.432 231 T N 0.498 115.014 114.554 -0.063 0.000 2.928 231 T HA 0.688 5.053 4.350 0.026 0.000 0.284 231 T C 1.158 175.875 174.700 0.028 0.000 1.008 231 T CA 0.008 62.071 62.100 -0.061 0.000 1.057 231 T CB 1.618 70.442 68.868 -0.073 0.000 1.018 231 T HN 1.608 nan 8.240 nan 0.000 0.493 232 A N 0.793 123.578 122.820 -0.058 0.000 2.121 232 A HA 0.290 4.625 4.320 0.026 0.000 0.218 232 A C 0.822 178.442 177.584 0.060 0.000 1.154 232 A CA 1.253 53.254 52.037 -0.060 0.000 0.679 232 A CB -0.817 18.085 19.000 -0.162 0.000 0.795 232 A HN 1.061 nan 8.150 nan 0.000 0.458 233 E N -1.733 118.467 120.200 -0.000 0.000 3.260 233 E HA 0.089 4.455 4.350 0.026 0.000 0.328 233 E C -1.259 175.221 176.600 -0.200 0.000 1.112 233 E CA -0.294 56.099 56.400 -0.012 0.000 0.898 233 E CB -0.486 29.174 29.700 -0.066 0.000 1.191 233 E HN 0.199 nan 8.360 nan 0.000 0.480 234 N N 3.344 121.845 118.700 -0.332 0.000 2.468 234 N HA 0.107 4.862 4.740 0.026 0.000 0.265 234 N C -0.691 174.484 175.510 -0.558 0.000 1.199 234 N CA 0.813 53.477 53.050 -0.644 0.000 0.928 234 N CB 0.383 37.968 38.487 -1.504 0.000 1.059 234 N HN 0.570 nan 8.380 nan 0.000 0.467 235 E N 1.774 121.637 120.200 -0.562 0.000 2.197 235 E HA -0.196 4.170 4.350 0.026 0.000 0.184 235 E C -1.640 174.735 176.600 -0.375 0.000 1.439 235 E CA 0.130 56.231 56.400 -0.497 0.000 0.688 235 E CB -0.600 28.863 29.700 -0.394 0.000 1.090 235 E HN 0.700 nan 8.360 nan 0.000 0.341 236 P HA -0.261 nan 4.420 nan 0.000 0.218 236 P C 1.490 178.775 177.300 -0.024 0.000 1.146 236 P CA 1.896 64.986 63.100 -0.016 0.000 0.813 236 P CB 0.047 31.842 31.700 0.159 0.000 0.778 237 S N -0.212 115.393 115.700 -0.159 0.000 2.447 237 S HA -0.011 4.474 4.470 0.026 0.000 0.233 237 S C 2.188 176.646 174.600 -0.237 0.000 1.006 237 S CA 0.869 59.012 58.200 -0.094 0.000 0.957 237 S CB -1.179 61.949 63.200 -0.120 0.000 0.773 237 S HN 0.142 nan 8.310 nan 0.000 0.507 238 A N 1.781 124.335 122.820 -0.443 0.000 1.933 238 A HA 0.219 4.555 4.320 0.026 0.000 0.218 238 A C 2.267 179.407 177.584 -0.739 0.000 1.175 238 A CA 1.340 52.855 52.037 -0.871 0.000 0.628 238 A CB -1.553 16.577 19.000 -1.449 0.000 0.814 238 A HN 0.690 nan 8.150 nan 0.000 0.444 239 G N -0.892 107.639 108.800 -0.448 0.000 2.848 239 G HA2 0.194 4.170 3.960 0.026 0.000 0.208 239 G HA3 0.194 4.170 3.960 0.026 0.000 0.208 239 G C 1.082 175.864 174.900 -0.196 0.000 1.152 239 G CA 0.404 45.326 45.100 -0.297 0.000 0.789 239 G HN 0.450 nan 8.290 nan 0.000 0.531 240 L N -0.250 120.874 121.223 -0.165 0.000 2.607 240 L HA 0.366 4.722 4.340 0.026 0.000 0.228 240 L C 0.383 177.205 176.870 -0.079 0.000 1.123 240 L CA -0.045 54.739 54.840 -0.092 0.000 0.890 240 L CB 0.110 42.148 42.059 -0.035 0.000 1.103 240 L HN 0.066 nan 8.230 nan 0.000 0.468 241 L N 0.794 121.959 121.223 -0.098 0.000 2.264 241 L HA 0.255 4.611 4.340 0.026 0.000 0.289 241 L C 0.708 177.578 176.870 0.000 0.000 1.044 241 L CA -0.425 54.395 54.840 -0.033 0.000 0.807 241 L CB 1.450 43.513 42.059 0.008 0.000 1.192 241 L HN 0.093 nan 8.230 nan 0.000 0.425 242 S N 1.717 117.411 115.700 -0.011 0.000 2.549 242 S HA 0.346 4.831 4.470 0.026 0.000 0.286 242 S C 1.194 175.792 174.600 -0.005 0.000 1.314 242 S CA 0.076 58.268 58.200 -0.013 0.000 1.062 242 S CB 1.086 64.274 63.200 -0.022 0.000 0.865 242 S HN 1.064 nan 8.310 nan 0.000 0.498 243 G N 1.309 110.103 108.800 -0.009 0.000 2.162 243 G HA2 -0.317 3.658 3.960 0.026 0.000 0.260 243 G HA3 -0.317 3.658 3.960 0.026 0.000 0.260 243 G C -0.100 174.771 174.900 -0.048 0.000 0.976 243 G CA 0.293 45.376 45.100 -0.029 0.000 0.655 243 G HN 1.119 nan 8.290 nan 0.000 0.533 244 Y N 2.231 122.452 120.300 -0.132 0.000 2.805 244 Y HA 0.253 4.819 4.550 0.026 0.000 0.331 244 Y C -0.135 175.642 175.900 -0.204 0.000 1.241 244 Y CA -0.320 57.659 58.100 -0.202 0.000 1.546 244 Y CB 0.960 39.273 38.460 -0.244 0.000 1.248 244 Y HN 0.100 nan 8.280 nan 0.000 0.559 245 P HA -0.068 nan 4.420 nan 0.000 0.227 245 P C -0.545 176.622 177.300 -0.222 0.000 1.161 245 P CA 1.091 63.937 63.100 -0.424 0.000 0.788 245 P CB 0.051 31.491 31.700 -0.434 0.000 0.822 246 F N -2.374 117.458 119.950 -0.196 0.000 2.790 246 F HA 0.683 5.226 4.527 0.026 0.000 0.337 246 F C -0.481 175.534 175.800 0.358 0.000 1.163 246 F CA -2.071 55.990 58.000 0.101 0.000 0.997 246 F CB -0.294 38.646 39.000 -0.101 0.000 1.437 246 F HN -0.470 nan 8.300 nan 0.000 0.512 247 Q N 1.078 121.344 119.800 0.777 0.000 2.286 247 Q HA 0.426 4.781 4.340 0.026 0.000 0.290 247 Q C -0.307 175.969 176.000 0.460 0.000 1.049 247 Q CA 0.596 56.697 55.803 0.496 0.000 0.923 247 Q CB 0.350 29.326 28.738 0.396 0.000 1.183 247 Q HN 0.875 nan 8.270 nan 0.000 0.383 248 C N 0.455 119.861 119.300 0.176 0.000 3.320 248 C HA 0.877 5.353 4.460 0.026 0.000 0.335 248 C C -1.748 173.174 174.990 -0.112 0.000 1.430 248 C CA -1.225 57.791 59.018 -0.004 0.000 1.271 248 C CB 0.783 28.409 27.740 -0.190 0.000 1.609 248 C HN 0.807 nan 8.230 nan 0.000 0.457 249 L N 1.728 122.850 121.223 -0.167 0.000 2.661 249 L HA 0.689 5.045 4.340 0.026 0.000 0.263 249 L C 0.169 176.901 176.870 -0.231 0.000 0.956 249 L CA 0.501 55.187 54.840 -0.257 0.000 0.918 249 L CB 1.200 43.093 42.059 -0.275 0.000 1.280 249 L HN 1.416 nan 8.230 nan 0.000 0.416 250 G N 3.358 111.956 108.800 -0.335 0.000 2.378 250 G HA2 0.453 4.428 3.960 0.026 0.000 0.255 250 G HA3 0.453 4.428 3.960 0.026 0.000 0.255 250 G C -1.113 173.541 174.900 -0.410 0.000 1.270 250 G CA 0.068 45.021 45.100 -0.246 0.000 0.876 250 G HN 0.388 nan 8.290 nan 0.000 0.521 251 F N 0.605 120.538 119.950 -0.028 0.000 2.557 251 F HA 0.335 4.878 4.527 0.026 0.000 0.316 251 F C 0.924 176.803 175.800 0.132 0.000 1.141 251 F CA -0.829 57.178 58.000 0.011 0.000 0.922 251 F CB 2.031 41.017 39.000 -0.022 0.000 1.194 251 F HN 0.657 nan 8.300 nan 0.000 0.443 252 T N 0.397 115.075 114.554 0.206 0.000 2.802 252 T HA 0.138 4.503 4.350 0.026 0.000 0.305 252 T C -1.715 172.764 174.700 -0.369 0.000 1.053 252 T CA -1.269 60.831 62.100 0.000 0.000 1.058 252 T CB 0.931 69.789 68.868 -0.017 0.000 0.988 252 T HN 0.358 nan 8.240 nan 0.000 0.539 253 P HA -0.117 nan 4.420 nan 0.000 0.216 253 P C 1.085 178.048 177.300 -0.561 0.000 1.150 253 P CA 1.266 63.510 63.100 -1.426 0.000 0.837 253 P CB 0.094 30.830 31.700 -1.606 0.000 0.786 254 E N -1.312 118.696 120.200 -0.321 0.000 2.072 254 E HA -0.188 4.178 4.350 0.026 0.000 0.191 254 E C 2.250 178.866 176.600 0.027 0.000 0.985 254 E CA 0.997 57.318 56.400 -0.133 0.000 0.801 254 E CB -1.146 28.498 29.700 -0.093 0.000 0.750 254 E HN 0.515 nan 8.360 nan 0.000 0.452 255 H N -0.058 118.995 119.070 -0.028 0.000 2.357 255 H HA -0.122 4.450 4.556 0.026 0.000 0.301 255 H C 2.238 177.747 175.328 0.302 0.000 1.082 255 H CA 1.356 57.492 56.048 0.148 0.000 1.342 255 H CB 0.296 30.160 29.762 0.170 0.000 1.389 255 H HN 0.169 nan 8.280 nan 0.000 0.511 256 Q N 0.902 120.847 119.800 0.241 0.000 2.084 256 Q HA -0.209 4.147 4.340 0.026 0.000 0.202 256 Q C 2.570 178.604 176.000 0.056 0.000 0.978 256 Q CA 1.646 57.490 55.803 0.068 0.000 0.844 256 Q CB -0.117 28.614 28.738 -0.011 0.000 0.898 256 Q HN 0.365 nan 8.270 nan 0.000 0.426 257 R N 0.042 120.536 120.500 -0.010 0.000 2.094 257 R HA -0.202 4.153 4.340 0.026 0.000 0.239 257 R C 1.333 177.645 176.300 0.021 0.000 1.137 257 R CA 2.121 58.201 56.100 -0.033 0.000 0.943 257 R CB -0.307 29.945 30.300 -0.080 0.000 0.850 257 R HN 0.386 nan 8.270 nan 0.000 0.433 258 D N -0.159 120.296 120.400 0.091 0.000 2.144 258 D HA -0.148 4.508 4.640 0.026 0.000 0.200 258 D C 1.616 178.023 176.300 0.179 0.000 0.978 258 D CA 0.889 54.956 54.000 0.111 0.000 0.833 258 D CB -0.394 40.472 40.800 0.109 0.000 0.961 258 D HN 0.212 nan 8.370 nan 0.000 0.470 259 F N 1.726 121.768 119.950 0.153 0.000 2.134 259 F HA -0.125 4.418 4.527 0.026 0.000 0.299 259 F C 2.058 177.855 175.800 -0.005 0.000 1.097 259 F CA 0.977 59.078 58.000 0.168 0.000 1.264 259 F CB -0.438 38.735 39.000 0.288 0.000 1.001 259 F HN -0.132 nan 8.300 nan 0.000 0.479 260 I N 0.195 120.576 120.570 -0.316 0.000 2.142 260 I HA -0.279 3.907 4.170 0.026 0.000 0.240 260 I C 2.728 178.647 176.117 -0.330 0.000 1.078 260 I CA 1.296 62.326 61.300 -0.450 0.000 1.343 260 I CB -1.106 36.744 38.000 -0.250 0.000 1.046 260 I HN 0.203 nan 8.210 nan 0.000 0.405 261 A N 0.739 123.493 122.820 -0.109 0.000 1.877 261 A HA -0.154 4.182 4.320 0.026 0.000 0.216 261 A C 2.389 179.946 177.584 -0.045 0.000 1.186 261 A CA 1.436 53.482 52.037 0.015 0.000 0.620 261 A CB -0.348 18.675 19.000 0.038 0.000 0.822 261 A HN 0.265 nan 8.150 nan 0.000 0.443 262 R N -0.676 119.786 120.500 -0.063 0.000 2.140 262 R HA 0.071 4.426 4.340 0.026 0.000 0.213 262 R C 0.714 176.967 176.300 -0.077 0.000 1.059 262 R CA 1.310 57.389 56.100 -0.034 0.000 1.000 262 R CB -0.272 30.039 30.300 0.019 0.000 0.910 262 R HN 0.602 nan 8.270 nan 0.000 0.455 263 D N -0.328 119.973 120.400 -0.166 0.000 3.234 263 D HA -0.023 4.632 4.640 0.026 0.000 0.281 263 D C 1.810 177.838 176.300 -0.453 0.000 1.405 263 D CA -0.124 53.772 54.000 -0.173 0.000 1.115 263 D CB -0.300 40.587 40.800 0.145 0.000 1.198 263 D HN -0.089 nan 8.370 nan 0.000 0.388 264 L N 2.069 122.751 121.223 -0.901 0.000 2.017 264 L HA 0.038 4.394 4.340 0.026 0.000 0.208 264 L C 2.194 178.606 176.870 -0.764 0.000 1.073 264 L CA 2.264 56.522 54.840 -0.972 0.000 0.745 264 L CB -1.067 40.134 42.059 -1.430 0.000 0.894 264 L HN 0.118 nan 8.230 nan 0.000 0.432 265 G N -0.321 107.927 108.800 -0.921 0.000 2.433 265 G HA2 -0.172 3.803 3.960 0.026 0.000 0.216 265 G HA3 -0.172 3.803 3.960 0.026 0.000 0.216 265 G C -0.693 173.529 174.900 -1.131 0.000 1.186 265 G CA 0.839 45.115 45.100 -1.373 0.000 0.779 265 G HN 0.403 nan 8.290 nan 0.000 0.543 266 P HA -0.040 nan 4.420 nan 0.000 0.217 266 P C 1.922 179.095 177.300 -0.211 0.000 1.150 266 P CA 1.599 64.492 63.100 -0.344 0.000 0.832 266 P CB -0.320 31.271 31.700 -0.181 0.000 0.787 267 T N 0.176 114.588 114.554 -0.236 0.000 2.708 267 T HA -0.084 4.281 4.350 0.026 0.000 0.266 267 T C 1.867 176.502 174.700 -0.107 0.000 1.037 267 T CA 1.079 63.099 62.100 -0.134 0.000 1.146 267 T CB -0.894 67.906 68.868 -0.115 0.000 0.865 267 T HN 0.050 nan 8.240 nan 0.000 0.435 268 L N 0.713 121.832 121.223 -0.173 0.000 2.017 268 L HA -0.075 4.280 4.340 0.026 0.000 0.208 268 L C 3.069 179.936 176.870 -0.004 0.000 1.073 268 L CA 1.246 56.032 54.840 -0.090 0.000 0.745 268 L CB -0.681 41.282 42.059 -0.161 0.000 0.894 268 L HN 0.246 nan 8.230 nan 0.000 0.432 269 A N -0.103 122.701 122.820 -0.025 0.000 1.978 269 A HA -0.266 4.069 4.320 0.026 0.000 0.220 269 A C 1.957 179.566 177.584 0.041 0.000 1.170 269 A CA 2.299 54.376 52.037 0.066 0.000 0.636 269 A CB -0.692 18.385 19.000 0.128 0.000 0.810 269 A HN 0.482 nan 8.150 nan 0.000 0.448 270 N N -0.635 118.068 118.700 0.005 0.000 2.398 270 N HA 0.017 4.772 4.740 0.026 0.000 0.188 270 N C 0.641 176.156 175.510 0.008 0.000 1.122 270 N CA 0.695 53.741 53.050 -0.006 0.000 0.866 270 N CB -0.005 38.474 38.487 -0.015 0.000 0.970 270 N HN 0.534 nan 8.380 nan 0.000 0.462 271 S N -1.940 113.782 115.700 0.037 0.000 2.730 271 S HA 0.144 4.629 4.470 0.026 0.000 0.284 271 S C 1.489 176.107 174.600 0.031 0.000 1.153 271 S CA -0.120 58.092 58.200 0.021 0.000 0.995 271 S CB 0.894 64.123 63.200 0.050 0.000 1.058 271 S HN 0.261 nan 8.310 nan 0.000 0.552 272 T N -1.700 112.771 114.554 -0.138 0.000 3.025 272 T HA -0.093 4.273 4.350 0.026 0.000 0.270 272 T C 0.723 175.204 174.700 -0.366 0.000 1.126 272 T CA 0.990 62.957 62.100 -0.222 0.000 1.105 272 T CB -0.794 67.857 68.868 -0.361 0.000 0.884 272 T HN 0.768 nan 8.240 nan 0.000 0.522 273 H N 0.909 119.973 119.070 -0.011 0.000 2.568 273 H HA 0.191 4.763 4.556 0.026 0.000 0.302 273 H C 1.497 176.750 175.328 -0.124 0.000 1.065 273 H CA 0.403 56.402 56.048 -0.082 0.000 1.140 273 H CB -0.463 29.284 29.762 -0.025 0.000 1.474 273 H HN 0.847 nan 8.280 nan 0.000 0.545 274 H N -0.771 118.318 119.070 0.033 0.000 2.489 274 H HA -0.034 4.538 4.556 0.026 0.000 0.293 274 H C 1.246 176.579 175.328 0.008 0.000 1.066 274 H CA 0.947 57.002 56.048 0.012 0.000 1.305 274 H CB 0.053 29.813 29.762 -0.003 0.000 1.386 274 H HN 0.044 nan 8.280 nan 0.000 0.551 275 N N 0.914 119.400 118.700 -0.356 0.000 2.515 275 N HA 0.003 4.758 4.740 0.026 0.000 0.185 275 N C -0.206 175.245 175.510 -0.099 0.000 1.109 275 N CA 0.253 53.210 53.050 -0.156 0.000 0.903 275 N CB 0.284 38.662 38.487 -0.182 0.000 0.969 275 N HN 0.188 nan 8.380 nan 0.000 0.450 276 V N 3.204 123.070 119.914 -0.080 0.000 2.585 276 V HA -0.005 4.131 4.120 0.026 0.000 0.296 276 V C 0.807 176.790 176.094 -0.184 0.000 1.035 276 V CA -0.173 62.069 62.300 -0.098 0.000 1.084 276 V CB 0.448 32.248 31.823 -0.037 0.000 0.953 276 V HN 0.106 nan 8.190 nan 0.000 0.483 277 R N 3.565 123.859 120.500 -0.345 0.000 2.490 277 R HA 0.495 4.851 4.340 0.026 0.000 0.278 277 R C -0.538 175.568 176.300 -0.324 0.000 1.069 277 R CA -0.824 55.038 56.100 -0.398 0.000 1.080 277 R CB 0.682 30.572 30.300 -0.683 0.000 1.030 277 R HN 0.515 nan 8.270 nan 0.000 0.491 278 L N 2.873 123.976 121.223 -0.200 0.000 2.313 278 L HA 0.449 4.804 4.340 0.026 0.000 0.283 278 L C -1.077 175.701 176.870 -0.153 0.000 1.013 278 L CA -0.298 54.427 54.840 -0.192 0.000 0.816 278 L CB 1.149 43.101 42.059 -0.179 0.000 1.236 278 L HN 0.444 nan 8.230 nan 0.000 0.419 279 L N 5.896 127.008 121.223 -0.184 0.000 2.322 279 L HA 0.581 4.937 4.340 0.026 0.000 0.281 279 L C 0.194 176.990 176.870 -0.122 0.000 1.014 279 L CA -0.726 54.029 54.840 -0.142 0.000 0.815 279 L CB 1.710 43.669 42.059 -0.165 0.000 1.247 279 L HN 0.762 nan 8.230 nan 0.000 0.421 280 M N 1.890 121.431 119.600 -0.099 0.000 2.527 280 M HA 0.554 5.050 4.480 0.026 0.000 0.283 280 M C 0.671 176.912 176.300 -0.097 0.000 1.188 280 M CA -0.288 54.960 55.300 -0.087 0.000 0.941 280 M CB 1.406 33.969 32.600 -0.063 0.000 1.498 280 M HN 0.512 nan 8.290 nan 0.000 0.510 281 L N 0.162 121.325 121.223 -0.099 0.000 3.782 281 L HA -0.358 3.997 4.340 0.026 0.000 0.053 281 L C 0.318 176.954 176.870 -0.389 0.000 4.256 281 L CA 2.949 57.625 54.840 -0.272 0.000 0.725 281 L CB -1.808 40.106 42.059 -0.242 0.000 3.466 281 L HN 1.174 nan 8.230 nan 0.000 0.901 282 D N 0.442 120.649 120.400 -0.322 0.000 2.697 282 D HA -0.087 4.568 4.640 0.026 0.000 0.238 282 D C -0.432 175.309 176.300 -0.932 0.000 1.152 282 D CA 1.457 55.206 54.000 -0.419 0.000 0.666 282 D CB -0.743 39.889 40.800 -0.281 0.000 1.037 282 D HN 0.730 nan 8.370 nan 0.000 0.423 283 D N -0.908 119.006 120.400 -0.811 0.000 2.692 283 D HA 0.203 4.859 4.640 0.026 0.000 0.303 283 D C -0.593 175.471 176.300 -0.393 0.000 1.278 283 D CA -0.403 53.140 54.000 -0.760 0.000 0.852 283 D CB 0.634 41.001 40.800 -0.721 0.000 1.375 283 D HN 0.241 nan 8.370 nan 0.000 0.453 284 Q N 0.105 119.789 119.800 -0.195 0.000 2.395 284 Q HA 0.157 4.512 4.340 0.026 0.000 0.271 284 Q C 0.962 176.937 176.000 -0.042 0.000 1.026 284 Q CA -0.021 55.834 55.803 0.087 0.000 0.900 284 Q CB 1.048 29.921 28.738 0.224 0.000 1.266 284 Q HN 0.454 nan 8.270 nan 0.000 0.430 285 R N 2.426 122.899 120.500 -0.045 0.000 2.237 285 R HA -0.055 4.301 4.340 0.026 0.000 0.219 285 R C 1.279 177.467 176.300 -0.187 0.000 1.080 285 R CA 1.169 57.158 56.100 -0.185 0.000 0.995 285 R CB -0.395 29.738 30.300 -0.278 0.000 0.875 285 R HN 0.737 nan 8.270 nan 0.000 0.462 286 L N 1.022 122.143 121.223 -0.171 0.000 2.549 286 L HA -0.027 4.328 4.340 0.026 0.000 0.230 286 L C 1.642 178.494 176.870 -0.029 0.000 1.162 286 L CA 0.634 55.416 54.840 -0.095 0.000 0.834 286 L CB -0.213 41.819 42.059 -0.044 0.000 0.947 286 L HN 0.277 nan 8.230 nan 0.000 0.452 287 L N -0.558 120.626 121.223 -0.064 0.000 2.554 287 L HA 0.045 4.400 4.340 0.026 0.000 0.226 287 L C 0.551 177.489 176.870 0.114 0.000 1.137 287 L CA 0.170 55.001 54.840 -0.014 0.000 0.863 287 L CB -0.079 41.750 42.059 -0.383 0.000 0.985 287 L HN 0.193 nan 8.230 nan 0.000 0.451 288 L N 0.505 121.754 121.223 0.044 0.000 2.334 288 L HA 0.303 4.659 4.340 0.026 0.000 0.275 288 L C -1.388 175.533 176.870 0.086 0.000 1.036 288 L CA -1.525 53.367 54.840 0.086 0.000 0.807 288 L CB 1.323 43.400 42.059 0.030 0.000 1.231 288 L HN -0.228 nan 8.230 nan 0.000 0.438 289 P HA -0.061 nan 4.420 nan 0.000 0.249 289 P C 0.979 178.414 177.300 0.225 0.000 1.229 289 P CA 0.610 63.812 63.100 0.170 0.000 0.788 289 P CB 0.124 31.915 31.700 0.152 0.000 1.072 290 H N -0.406 118.753 119.070 0.150 0.000 2.319 290 H HA -0.173 4.399 4.556 0.026 0.000 0.297 290 H C 1.506 176.933 175.328 0.165 0.000 1.097 290 H CA 2.140 58.273 56.048 0.141 0.000 1.285 290 H CB -0.879 28.960 29.762 0.129 0.000 1.368 290 H HN 0.024 nan 8.280 nan 0.000 0.495 291 W N 0.530 121.762 121.300 -0.114 0.000 2.358 291 W HA -0.062 4.614 4.660 0.027 0.000 0.303 291 W C 2.925 179.325 176.519 -0.198 0.000 1.208 291 W CA 2.103 59.328 57.345 -0.200 0.000 1.274 291 W CB -0.835 28.561 29.460 -0.106 0.000 1.138 291 W HN 0.380 nan 8.180 nan 0.000 0.515 292 A N 0.108 122.986 122.820 0.097 0.000 1.902 292 A HA -0.229 4.107 4.320 0.026 0.000 0.217 292 A C 1.916 179.379 177.584 -0.202 0.000 1.181 292 A CA 1.991 53.968 52.037 -0.101 0.000 0.623 292 A CB -0.655 18.340 19.000 -0.009 0.000 0.818 292 A HN 0.307 nan 8.150 nan 0.000 0.443 293 K N -0.482 119.957 120.400 0.065 0.000 2.026 293 K HA -0.085 4.251 4.320 0.026 0.000 0.208 293 K C 1.888 178.454 176.600 -0.056 0.000 1.048 293 K CA 1.494 57.872 56.287 0.151 0.000 0.929 293 K CB -0.407 32.196 32.500 0.171 0.000 0.713 293 K HN 0.303 nan 8.250 nan 0.000 0.439 294 V N 0.877 120.660 119.914 -0.218 0.000 2.261 294 V HA -0.243 3.893 4.120 0.026 0.000 0.246 294 V C 2.257 178.230 176.094 -0.201 0.000 1.047 294 V CA 1.674 63.820 62.300 -0.257 0.000 1.015 294 V CB -0.409 31.145 31.823 -0.449 0.000 0.642 294 V HN 0.093 nan 8.190 nan 0.000 0.446 295 V N -0.297 119.483 119.914 -0.224 0.000 2.307 295 V HA -0.182 3.954 4.120 0.026 0.000 0.245 295 V C 2.131 178.101 176.094 -0.207 0.000 1.045 295 V CA 1.881 64.068 62.300 -0.189 0.000 1.024 295 V CB -0.506 31.222 31.823 -0.157 0.000 0.651 295 V HN 0.441 nan 8.190 nan 0.000 0.449 296 L N 0.508 121.526 121.223 -0.342 0.000 2.509 296 L HA -0.009 4.347 4.340 0.026 0.000 0.222 296 L C 2.468 179.236 176.870 -0.171 0.000 1.123 296 L CA 1.196 55.778 54.840 -0.431 0.000 0.856 296 L CB -0.704 40.701 42.059 -1.089 0.000 0.985 296 L HN 0.534 nan 8.230 nan 0.000 0.456 297 T N -4.438 110.087 114.554 -0.048 0.000 3.118 297 T HA -0.086 4.280 4.350 0.026 0.000 0.260 297 T C 0.693 175.395 174.700 0.003 0.000 1.139 297 T CA 0.041 62.176 62.100 0.060 0.000 1.085 297 T CB -0.256 68.670 68.868 0.097 0.000 0.934 297 T HN 0.053 nan 8.240 nan 0.000 0.518 298 D N 2.305 122.682 120.400 -0.039 0.000 2.428 298 D HA 0.305 4.961 4.640 0.026 0.000 0.221 298 D C -1.876 174.397 176.300 -0.045 0.000 1.123 298 D CA -2.811 51.166 54.000 -0.038 0.000 0.869 298 D CB 1.765 42.537 40.800 -0.046 0.000 1.032 298 D HN -0.002 nan 8.370 nan 0.000 0.506 299 P HA -0.125 nan 4.420 nan 0.000 0.219 299 P C 1.030 178.282 177.300 -0.079 0.000 1.146 299 P CA 0.764 63.831 63.100 -0.056 0.000 0.808 299 P CB 0.331 32.004 31.700 -0.045 0.000 0.779 300 E N -0.560 119.610 120.200 -0.050 0.000 2.208 300 E HA -0.119 4.247 4.350 0.026 0.000 0.193 300 E C 1.767 178.380 176.600 0.022 0.000 0.988 300 E CA 0.908 57.290 56.400 -0.030 0.000 0.828 300 E CB -0.216 29.488 29.700 0.007 0.000 0.763 300 E HN 0.119 nan 8.360 nan 0.000 0.478 301 A N 0.898 123.722 122.820 0.007 0.000 1.911 301 A HA 0.165 4.501 4.320 0.026 0.000 0.212 301 A C 2.332 179.909 177.584 -0.012 0.000 1.189 301 A CA 1.018 53.077 52.037 0.036 0.000 0.639 301 A CB -0.459 18.525 19.000 -0.027 0.000 0.839 301 A HN 0.327 nan 8.150 nan 0.000 0.449 302 A N 1.395 124.166 122.820 -0.083 0.000 1.978 302 A HA -0.196 4.139 4.320 0.026 0.000 0.220 302 A C 2.052 179.558 177.584 -0.130 0.000 1.170 302 A CA 1.920 53.890 52.037 -0.111 0.000 0.636 302 A CB -0.600 18.337 19.000 -0.106 0.000 0.810 302 A HN 0.688 nan 8.150 nan 0.000 0.448 303 K N -1.667 118.598 120.400 -0.226 0.000 2.360 303 K HA -0.130 4.206 4.320 0.026 0.000 0.201 303 K C 1.053 177.414 176.600 -0.397 0.000 1.046 303 K CA 1.589 57.669 56.287 -0.346 0.000 0.945 303 K CB -0.405 31.800 32.500 -0.492 0.000 0.750 303 K HN 0.619 nan 8.250 nan 0.000 0.464 304 Y N 0.900 121.150 120.300 -0.083 0.000 2.449 304 Y HA 0.189 4.754 4.550 0.026 0.000 0.254 304 Y C 0.410 176.249 175.900 -0.101 0.000 1.140 304 Y CA -0.784 57.257 58.100 -0.100 0.000 1.272 304 Y CB 1.152 39.526 38.460 -0.143 0.000 1.114 304 Y HN -0.217 nan 8.280 nan 0.000 0.525 305 V N 0.885 120.816 119.914 0.028 0.000 2.364 305 V HA 0.032 4.168 4.120 0.026 0.000 0.272 305 V C 0.611 176.707 176.094 0.004 0.000 1.036 305 V CA -0.301 61.988 62.300 -0.018 0.000 0.880 305 V CB 0.947 32.725 31.823 -0.074 0.000 0.991 305 V HN 0.318 nan 8.190 nan 0.000 0.460 306 H N 3.969 122.989 119.070 -0.082 0.000 2.448 306 H HA 0.395 4.966 4.556 0.026 0.000 0.292 306 H C 0.742 176.047 175.328 -0.038 0.000 1.035 306 H CA 0.997 57.009 56.048 -0.061 0.000 1.349 306 H CB 0.588 30.294 29.762 -0.092 0.000 1.425 306 H HN 0.739 nan 8.280 nan 0.000 0.539 307 G N -0.687 108.039 108.800 -0.123 0.000 2.623 307 G HA2 0.447 4.423 3.960 0.026 0.000 0.290 307 G HA3 0.447 4.423 3.960 0.026 0.000 0.290 307 G C -1.641 173.221 174.900 -0.064 0.000 1.437 307 G CA -0.741 44.280 45.100 -0.132 0.000 0.798 307 G HN 0.142 nan 8.290 nan 0.000 0.488 308 I N 1.255 121.817 120.570 -0.014 0.000 2.382 308 I HA 0.554 4.740 4.170 0.026 0.000 0.286 308 I C 0.554 176.702 176.117 0.052 0.000 1.002 308 I CA -0.732 60.564 61.300 -0.007 0.000 1.135 308 I CB 1.911 39.909 38.000 -0.003 0.000 1.288 308 I HN 0.621 nan 8.210 nan 0.000 0.448 309 A N 6.733 129.569 122.820 0.027 0.000 2.309 309 A HA 0.753 5.089 4.320 0.026 0.000 0.298 309 A C -0.303 177.287 177.584 0.010 0.000 1.165 309 A CA -0.454 51.644 52.037 0.101 0.000 0.821 309 A CB 0.923 19.982 19.000 0.098 0.000 1.102 309 A HN 0.634 nan 8.150 nan 0.000 0.500 310 V N 0.980 120.921 119.914 0.044 0.000 2.735 310 V HA 0.641 4.777 4.120 0.026 0.000 0.310 310 V C -0.573 175.581 176.094 0.099 0.000 1.061 310 V CA -0.700 61.597 62.300 -0.005 0.000 0.913 310 V CB 1.258 33.060 31.823 -0.035 0.000 1.005 310 V HN 0.934 nan 8.190 nan 0.000 0.428 311 H N 3.393 122.387 119.070 -0.128 0.000 2.499 311 H HA 0.498 5.070 4.556 0.026 0.000 0.340 311 H C -1.456 173.913 175.328 0.068 0.000 1.148 311 H CA -0.570 55.377 56.048 -0.170 0.000 1.215 311 H CB 2.297 31.938 29.762 -0.201 0.000 1.529 311 H HN 0.827 nan 8.280 nan 0.000 0.510 312 W N 2.839 123.973 121.300 -0.278 0.000 3.032 312 W HA 0.247 4.922 4.660 0.025 0.000 0.335 312 W C -1.897 174.463 176.519 -0.265 0.000 1.154 312 W CA -0.796 56.464 57.345 -0.141 0.000 1.204 312 W CB 2.015 31.454 29.460 -0.034 0.000 1.416 312 W HN 0.578 nan 8.180 nan 0.000 0.521 313 Y N 4.912 124.544 120.300 -1.114 0.000 2.402 313 Y HA 0.208 4.773 4.550 0.026 0.000 0.332 313 Y C 1.093 176.500 175.900 -0.822 0.000 0.960 313 Y CA -0.345 57.292 58.100 -0.772 0.000 1.228 313 Y CB 1.020 39.064 38.460 -0.695 0.000 1.120 313 Y HN 0.244 nan 8.280 nan 0.000 0.491 314 L N 1.655 122.750 121.223 -0.213 0.000 2.465 314 L HA -0.086 4.270 4.340 0.026 0.000 0.224 314 L C 0.855 177.762 176.870 0.061 0.000 1.145 314 L CA 0.683 55.532 54.840 0.014 0.000 0.834 314 L CB 0.010 42.158 42.059 0.148 0.000 0.944 314 L HN 0.617 nan 8.230 nan 0.000 0.451 315 D N -0.163 120.226 120.400 -0.019 0.000 2.363 315 D HA 0.036 4.692 4.640 0.026 0.000 0.220 315 D C 0.289 176.382 176.300 -0.345 0.000 0.994 315 D CA 0.768 54.651 54.000 -0.194 0.000 0.890 315 D CB 0.183 40.758 40.800 -0.374 0.000 0.906 315 D HN 0.124 nan 8.370 nan 0.000 0.530 316 F N -0.080 119.852 119.950 -0.030 0.000 2.523 316 F HA 0.403 4.946 4.527 0.026 0.000 0.329 316 F C 0.472 176.609 175.800 0.561 0.000 1.061 316 F CA -1.077 57.015 58.000 0.154 0.000 0.967 316 F CB 1.255 40.220 39.000 -0.059 0.000 1.218 316 F HN -0.394 nan 8.300 nan 0.000 0.480 317 L N 2.082 123.722 121.223 0.696 0.000 2.312 317 L HA 0.719 5.074 4.340 0.026 0.000 0.281 317 L C -0.218 176.903 176.870 0.418 0.000 1.070 317 L CA -0.739 54.407 54.840 0.511 0.000 0.805 317 L CB 1.189 43.420 42.059 0.287 0.000 1.174 317 L HN 0.757 nan 8.230 nan 0.000 0.434 318 A N 4.010 126.843 122.820 0.021 0.000 2.893 318 A HA 0.500 4.836 4.320 0.026 0.000 0.298 318 A C -2.569 174.834 177.584 -0.302 0.000 1.227 318 A CA -1.007 50.830 52.037 -0.334 0.000 0.845 318 A CB 0.269 18.624 19.000 -1.075 0.000 1.430 318 A HN 0.428 nan 8.150 nan 0.000 0.493 319 P HA 0.014 nan 4.420 nan 0.000 0.255 319 P C 1.192 178.332 177.300 -0.266 0.000 1.151 319 P CA 1.218 64.222 63.100 -0.160 0.000 0.767 319 P CB 0.803 32.448 31.700 -0.092 0.000 0.736 320 A N 4.979 127.576 122.820 -0.373 0.000 1.970 320 A HA -0.149 4.186 4.320 0.026 0.000 0.216 320 A C 2.088 179.269 177.584 -0.670 0.000 1.170 320 A CA 1.332 53.035 52.037 -0.558 0.000 0.645 320 A CB -0.622 17.936 19.000 -0.738 0.000 0.816 320 A HN 0.481 nan 8.150 nan 0.000 0.447 321 K N 0.036 120.059 120.400 -0.628 0.000 2.009 321 K HA -0.112 4.224 4.320 0.026 0.000 0.210 321 K C 2.057 178.566 176.600 -0.152 0.000 1.049 321 K CA 1.394 57.467 56.287 -0.358 0.000 0.929 321 K CB -0.356 32.075 32.500 -0.114 0.000 0.714 321 K HN 0.333 nan 8.250 nan 0.000 0.440 322 A N 0.189 122.933 122.820 -0.126 0.000 2.070 322 A HA -0.133 4.203 4.320 0.026 0.000 0.220 322 A C 1.939 179.487 177.584 -0.059 0.000 1.159 322 A CA 2.117 54.115 52.037 -0.065 0.000 0.656 322 A CB -0.660 18.306 19.000 -0.056 0.000 0.800 322 A HN 0.691 nan 8.150 nan 0.000 0.453 323 T N -2.809 111.681 114.554 -0.108 0.000 3.480 323 T HA 0.199 4.565 4.350 0.026 0.000 0.229 323 T C 1.785 176.462 174.700 -0.039 0.000 0.944 323 T CA 0.598 62.648 62.100 -0.083 0.000 1.388 323 T CB -0.711 68.066 68.868 -0.153 0.000 1.180 323 T HN 0.129 nan 8.240 nan 0.000 0.414 324 L N 1.521 122.700 121.223 -0.073 0.000 2.046 324 L HA 0.158 4.514 4.340 0.026 0.000 0.208 324 L C 3.150 180.116 176.870 0.161 0.000 1.077 324 L CA 1.537 56.401 54.840 0.040 0.000 0.747 324 L CB -1.169 40.907 42.059 0.028 0.000 0.896 324 L HN 0.578 nan 8.230 nan 0.000 0.432 325 G N -0.131 108.740 108.800 0.119 0.000 2.433 325 G HA2 -0.325 3.651 3.960 0.026 0.000 0.216 325 G HA3 -0.325 3.651 3.960 0.026 0.000 0.216 325 G C 1.501 176.500 174.900 0.165 0.000 1.186 325 G CA 0.972 46.239 45.100 0.277 0.000 0.779 325 G HN 0.333 nan 8.290 nan 0.000 0.543 326 E N 0.344 120.592 120.200 0.080 0.000 2.106 326 E HA -0.045 4.320 4.350 0.026 0.000 0.192 326 E C 2.606 179.227 176.600 0.036 0.000 0.984 326 E CA 1.522 57.948 56.400 0.043 0.000 0.806 326 E CB -0.576 29.140 29.700 0.027 0.000 0.750 326 E HN 0.321 nan 8.360 nan 0.000 0.458 327 T N 0.105 114.712 114.554 0.090 0.000 2.746 327 T HA -0.186 4.180 4.350 0.026 0.000 0.267 327 T C 1.638 176.415 174.700 0.128 0.000 1.039 327 T CA 1.426 63.620 62.100 0.157 0.000 1.142 327 T CB -0.525 68.447 68.868 0.174 0.000 0.866 327 T HN 0.397 nan 8.240 nan 0.000 0.444 328 H N 1.421 120.487 119.070 -0.008 0.000 2.353 328 H HA -0.010 4.562 4.556 0.027 0.000 0.300 328 H C 2.636 177.872 175.328 -0.154 0.000 1.090 328 H CA 1.603 57.568 56.048 -0.138 0.000 1.327 328 H CB -0.082 29.362 29.762 -0.529 0.000 1.383 328 H HN 0.237 nan 8.280 nan 0.000 0.508 329 R N 0.411 120.787 120.500 -0.207 0.000 2.083 329 R HA -0.128 4.228 4.340 0.026 0.000 0.237 329 R C 2.732 178.839 176.300 -0.322 0.000 1.137 329 R CA 1.625 57.585 56.100 -0.233 0.000 0.951 329 R CB -0.205 30.043 30.300 -0.087 0.000 0.851 329 R HN 0.324 nan 8.270 nan 0.000 0.434 330 L N -0.646 120.353 121.223 -0.373 0.000 2.056 330 L HA -0.085 4.271 4.340 0.026 0.000 0.207 330 L C 0.532 176.820 176.870 -0.970 0.000 1.078 330 L CA 1.113 55.502 54.840 -0.752 0.000 0.749 330 L CB -0.000 41.451 42.059 -1.013 0.000 0.901 330 L HN 0.127 nan 8.230 nan 0.000 0.433 331 F N -0.858 119.011 119.950 -0.135 0.000 2.584 331 F HA 0.290 4.833 4.527 0.026 0.000 0.328 331 F C -1.654 174.039 175.800 -0.178 0.000 1.407 331 F CA -1.516 56.410 58.000 -0.122 0.000 1.145 331 F CB 0.341 39.299 39.000 -0.069 0.000 1.440 331 F HN -0.150 nan 8.300 nan 0.000 0.580 332 P HA -0.093 nan 4.420 nan 0.000 0.226 332 P C 0.398 177.674 177.300 -0.040 0.000 1.153 332 P CA 1.176 64.054 63.100 -0.369 0.000 0.777 332 P CB 0.396 31.843 31.700 -0.422 0.000 0.794 333 N N -0.602 118.103 118.700 0.009 0.000 2.268 333 N HA 0.046 4.801 4.740 0.026 0.000 0.204 333 N C -0.115 175.409 175.510 0.023 0.000 1.124 333 N CA 0.460 53.531 53.050 0.035 0.000 0.838 333 N CB 0.255 38.758 38.487 0.028 0.000 0.994 333 N HN 0.057 nan 8.380 nan 0.000 0.489 334 T N 2.491 117.068 114.554 0.039 0.000 2.893 334 T HA 0.275 4.641 4.350 0.026 0.000 0.324 334 T C 0.448 175.150 174.700 0.004 0.000 1.082 334 T CA -0.750 61.338 62.100 -0.020 0.000 0.983 334 T CB 0.691 69.550 68.868 -0.015 0.000 1.005 334 T HN 0.108 nan 8.240 nan 0.000 0.475 335 M N 3.468 123.027 119.600 -0.068 0.000 2.250 335 M HA 0.307 4.802 4.480 0.026 0.000 0.337 335 M C -0.860 175.489 176.300 0.081 0.000 1.161 335 M CA 0.371 55.685 55.300 0.024 0.000 1.088 335 M CB -0.344 32.251 32.600 -0.009 0.000 1.639 335 M HN 0.337 nan 8.290 nan 0.000 0.447 336 L N 4.092 125.404 121.223 0.147 0.000 2.307 336 L HA 0.667 5.023 4.340 0.026 0.000 0.282 336 L C -0.952 176.053 176.870 0.225 0.000 1.051 336 L CA -0.215 54.721 54.840 0.159 0.000 0.804 336 L CB 0.974 43.122 42.059 0.148 0.000 1.197 336 L HN 0.841 nan 8.230 nan 0.000 0.431 337 F N 2.639 122.610 119.950 0.035 0.000 2.573 337 F HA 0.648 5.191 4.527 0.027 0.000 0.316 337 F C -0.416 175.376 175.800 -0.013 0.000 1.148 337 F CA -0.710 57.312 58.000 0.037 0.000 0.940 337 F CB 1.358 40.427 39.000 0.115 0.000 1.214 337 F HN 0.425 nan 8.300 nan 0.000 0.448 338 A N 3.656 126.125 122.820 -0.585 0.000 2.343 338 A HA 0.445 4.781 4.320 0.026 0.000 0.305 338 A C 0.566 177.695 177.584 -0.758 0.000 1.308 338 A CA 0.264 51.968 52.037 -0.554 0.000 0.949 338 A CB -0.065 18.585 19.000 -0.583 0.000 1.148 338 A HN 0.991 nan 8.150 nan 0.000 0.545 339 S N 1.237 116.760 115.700 -0.294 0.000 2.517 339 S HA 0.236 4.722 4.470 0.026 0.000 0.214 339 S C 0.320 174.699 174.600 -0.368 0.000 0.991 339 S CA 0.308 58.460 58.200 -0.081 0.000 0.906 339 S CB 0.093 63.440 63.200 0.245 0.000 0.789 339 S HN 0.806 nan 8.310 nan 0.000 0.513 340 E N -0.398 119.393 120.200 -0.682 0.000 2.381 340 E HA 0.596 4.961 4.350 0.026 0.000 0.286 340 E C -2.036 174.028 176.600 -0.893 0.000 0.960 340 E CA -0.539 55.342 56.400 -0.864 0.000 0.793 340 E CB 1.792 30.650 29.700 -1.402 0.000 1.225 340 E HN 0.315 nan 8.360 nan 0.000 0.420 341 A N 2.017 124.362 122.820 -0.792 0.000 2.549 341 A HA 0.851 5.187 4.320 0.026 0.000 0.297 341 A C -0.999 176.351 177.584 -0.389 0.000 1.061 341 A CA -0.379 51.234 52.037 -0.706 0.000 0.690 341 A CB 0.960 19.352 19.000 -1.014 0.000 1.287 341 A HN 0.936 nan 8.150 nan 0.000 0.402 342 C N 0.140 119.265 119.300 -0.292 0.000 3.311 342 C HA 0.927 5.403 4.460 0.026 0.000 0.325 342 C C -0.570 174.486 174.990 0.111 0.000 1.352 342 C CA -0.116 58.926 59.018 0.039 0.000 1.308 342 C CB 0.753 28.564 27.740 0.119 0.000 1.619 342 C HN 1.965 nan 8.230 nan 0.000 0.469 343 V N -0.873 119.176 119.914 0.226 0.000 3.046 343 V HA 1.004 5.140 4.120 0.026 0.000 0.316 343 V C 0.779 176.929 176.094 0.093 0.000 1.104 343 V CA 0.148 62.536 62.300 0.147 0.000 1.006 343 V CB 0.867 32.789 31.823 0.164 0.000 1.058 343 V HN 2.893 nan 8.190 nan 0.000 0.440 344 G N 1.304 110.105 108.800 0.003 0.000 2.132 344 G HA2 -0.212 3.764 3.960 0.026 0.000 0.234 344 G HA3 -0.212 3.764 3.960 0.026 0.000 0.234 344 G C 0.744 175.641 174.900 -0.005 0.000 0.989 344 G CA 1.024 46.099 45.100 -0.043 0.000 0.676 344 G HN 2.069 nan 8.290 nan 0.000 0.522 345 S N -1.067 114.662 115.700 0.048 0.000 2.548 345 S HA 0.328 4.813 4.470 0.026 0.000 0.215 345 S C 0.948 175.593 174.600 0.075 0.000 0.976 345 S CA 0.572 58.859 58.200 0.145 0.000 0.908 345 S CB 0.435 63.833 63.200 0.330 0.000 0.781 345 S HN 0.517 nan 8.310 nan 0.000 0.519 346 K N 1.224 121.534 120.400 -0.151 0.000 2.295 346 K HA 0.213 4.549 4.320 0.026 0.000 0.270 346 K C 0.924 177.333 176.600 -0.318 0.000 1.011 346 K CA -0.122 55.983 56.287 -0.303 0.000 0.953 346 K CB 0.343 32.322 32.500 -0.868 0.000 0.956 346 K HN 0.370 nan 8.250 nan 0.000 0.477 347 F N 2.676 122.553 119.950 -0.123 0.000 2.192 347 F HA -0.193 4.350 4.527 0.027 0.000 0.301 347 F C 1.416 177.237 175.800 0.035 0.000 1.079 347 F CA 0.806 58.801 58.000 -0.009 0.000 1.303 347 F CB -0.356 38.691 39.000 0.078 0.000 1.024 347 F HN 0.653 nan 8.300 nan 0.000 0.494 348 W N 1.448 122.259 121.300 -0.814 0.000 3.077 348 W HA 0.337 5.012 4.660 0.025 0.000 0.266 348 W C -0.255 176.125 176.519 -0.232 0.000 1.300 348 W CA -0.337 56.673 57.345 -0.557 0.000 1.586 348 W CB -1.005 27.982 29.460 -0.788 0.000 1.103 348 W HN 0.075 nan 8.180 nan 0.000 0.652 349 E N 2.456 122.275 120.200 -0.635 0.000 2.366 349 E HA 0.047 4.413 4.350 0.026 0.000 0.266 349 E C -0.401 176.117 176.600 -0.137 0.000 1.051 349 E CA -0.372 55.747 56.400 -0.468 0.000 0.884 349 E CB 1.138 30.401 29.700 -0.729 0.000 1.006 349 E HN -0.018 nan 8.360 nan 0.000 0.417 350 Q N 1.390 121.170 119.800 -0.032 0.000 2.263 350 Q HA -0.033 4.322 4.340 0.026 0.000 0.289 350 Q C 0.454 176.432 176.000 -0.037 0.000 1.061 350 Q CA 0.047 55.853 55.803 0.004 0.000 0.927 350 Q CB 0.628 29.387 28.738 0.036 0.000 1.154 350 Q HN 0.508 nan 8.270 nan 0.000 0.378 351 S N 2.137 117.845 115.700 0.014 0.000 2.359 351 S HA -0.075 4.410 4.470 0.026 0.000 0.224 351 S C 0.262 174.854 174.600 -0.014 0.000 1.035 351 S CA 0.766 58.993 58.200 0.045 0.000 1.018 351 S CB 0.340 63.625 63.200 0.142 0.000 0.876 351 S HN 0.510 nan 8.310 nan 0.000 0.448 352 V N 2.051 121.926 119.914 -0.065 0.000 2.444 352 V HA 0.421 4.556 4.120 0.026 0.000 0.294 352 V C -0.424 175.517 176.094 -0.255 0.000 1.022 352 V CA -0.670 61.551 62.300 -0.133 0.000 0.850 352 V CB 1.651 33.404 31.823 -0.117 0.000 0.992 352 V HN 0.189 nan 8.190 nan 0.000 0.426 353 R N 4.774 125.024 120.500 -0.417 0.000 2.335 353 R HA 0.481 4.836 4.340 0.026 0.000 0.302 353 R C -0.880 174.986 176.300 -0.723 0.000 1.147 353 R CA -0.591 54.924 56.100 -0.975 0.000 1.111 353 R CB 1.221 30.864 30.300 -1.095 0.000 1.122 353 R HN 0.608 nan 8.270 nan 0.000 0.557 354 L N 2.438 123.385 121.223 -0.460 0.000 2.597 354 L HA 0.035 4.391 4.340 0.026 0.000 0.271 354 L C 1.238 178.125 176.870 0.029 0.000 1.157 354 L CA 0.902 55.603 54.840 -0.233 0.000 0.928 354 L CB 0.504 42.243 42.059 -0.534 0.000 1.216 354 L HN 1.030 nan 8.230 nan 0.000 0.481 355 G N 2.016 110.843 108.800 0.046 0.000 2.159 355 G HA2 -0.274 3.701 3.960 0.026 0.000 0.227 355 G HA3 -0.274 3.701 3.960 0.026 0.000 0.227 355 G C 0.433 175.447 174.900 0.190 0.000 0.986 355 G CA 0.147 45.354 45.100 0.178 0.000 0.651 355 G HN 0.630 nan 8.290 nan 0.000 0.523 356 S N 0.170 115.901 115.700 0.052 0.000 2.714 356 S HA 0.111 4.597 4.470 0.026 0.000 0.318 356 S C 1.306 175.972 174.600 0.111 0.000 1.219 356 S CA 0.637 58.870 58.200 0.054 0.000 1.175 356 S CB -0.305 62.830 63.200 -0.109 0.000 0.961 356 S HN 0.446 nan 8.310 nan 0.000 0.518 357 W N 4.577 125.876 121.300 -0.000 0.000 2.418 357 W HA -0.125 4.554 4.660 0.031 0.000 0.292 357 W C 1.506 177.983 176.519 -0.069 0.000 1.213 357 W CA 1.385 58.721 57.345 -0.014 0.000 1.283 357 W CB -0.374 29.079 29.460 -0.011 0.000 1.119 357 W HN 0.844 nan 8.180 nan 0.000 0.542 358 D N 0.249 120.679 120.400 0.049 0.000 2.106 358 D HA -0.234 4.422 4.640 0.026 0.000 0.191 358 D C 2.204 178.438 176.300 -0.110 0.000 0.997 358 D CA 2.053 56.045 54.000 -0.013 0.000 0.834 358 D CB -0.208 40.617 40.800 0.043 0.000 0.956 358 D HN 0.062 nan 8.370 nan 0.000 0.448 359 R N -0.538 119.892 120.500 -0.117 0.000 2.092 359 R HA 0.023 4.379 4.340 0.026 0.000 0.231 359 R C 2.489 178.633 176.300 -0.260 0.000 1.119 359 R CA 1.074 57.099 56.100 -0.125 0.000 0.970 359 R CB -0.485 29.742 30.300 -0.121 0.000 0.864 359 R HN 0.244 nan 8.270 nan 0.000 0.440 360 G N 1.083 109.583 108.800 -0.501 0.000 2.459 360 G HA2 -0.287 3.689 3.960 0.026 0.000 0.217 360 G HA3 -0.287 3.689 3.960 0.026 0.000 0.217 360 G C 1.432 175.658 174.900 -1.124 0.000 1.183 360 G CA 0.812 45.330 45.100 -0.971 0.000 0.776 360 G HN 0.164 nan 8.290 nan 0.000 0.552 361 M N 0.015 119.052 119.600 -0.939 0.000 2.149 361 M HA -0.125 4.371 4.480 0.026 0.000 0.261 361 M C 2.779 179.064 176.300 -0.025 0.000 1.064 361 M CA 1.350 56.442 55.300 -0.347 0.000 1.102 361 M CB -0.408 32.104 32.600 -0.146 0.000 1.369 361 M HN 0.309 nan 8.290 nan 0.000 0.408 362 Q N -0.611 119.194 119.800 0.008 0.000 2.096 362 Q HA -0.215 4.141 4.340 0.026 0.000 0.204 362 Q C 1.911 178.051 176.000 0.232 0.000 0.982 362 Q CA 1.696 57.600 55.803 0.168 0.000 0.850 362 Q CB -0.249 28.601 28.738 0.186 0.000 0.901 362 Q HN 0.488 nan 8.270 nan 0.000 0.422 363 Y N 0.675 120.956 120.300 -0.032 0.000 2.133 363 Y HA -0.234 4.331 4.550 0.025 0.000 0.287 363 Y C 2.907 178.665 175.900 -0.236 0.000 1.134 363 Y CA 1.514 59.564 58.100 -0.084 0.000 1.133 363 Y CB -0.652 37.769 38.460 -0.066 0.000 0.987 363 Y HN 0.185 nan 8.280 nan 0.000 0.502 364 S N -1.173 114.596 115.700 0.116 0.000 2.383 364 S HA -0.247 4.238 4.470 0.026 0.000 0.227 364 S C 2.032 176.671 174.600 0.065 0.000 1.026 364 S CA 1.408 59.703 58.200 0.158 0.000 0.981 364 S CB -1.021 62.509 63.200 0.550 0.000 0.818 364 S HN 0.629 nan 8.310 nan 0.000 0.472 365 H N 1.128 120.231 119.070 0.055 0.000 2.387 365 H HA -0.059 4.512 4.556 0.025 0.000 0.299 365 H C 2.333 177.658 175.328 -0.006 0.000 1.099 365 H CA 1.660 57.742 56.048 0.056 0.000 1.315 365 H CB -0.319 29.496 29.762 0.088 0.000 1.380 365 H HN 0.553 nan 8.280 nan 0.000 0.513 366 S N -0.024 115.624 115.700 -0.086 0.000 2.371 366 S HA -0.053 4.433 4.470 0.026 0.000 0.224 366 S C 2.355 176.791 174.600 -0.273 0.000 1.029 366 S CA 0.928 59.082 58.200 -0.077 0.000 0.978 366 S CB -0.235 63.067 63.200 0.170 0.000 0.833 366 S HN 0.441 nan 8.310 nan 0.000 0.466 367 I N 1.142 121.285 120.570 -0.712 0.000 2.286 367 I HA -0.146 4.039 4.170 0.026 0.000 0.248 367 I C 2.119 177.909 176.117 -0.544 0.000 1.115 367 I CA 1.075 61.772 61.300 -1.005 0.000 1.392 367 I CB -0.371 36.615 38.000 -1.690 0.000 1.065 367 I HN 0.330 nan 8.210 nan 0.000 0.418 368 I N 0.360 120.698 120.570 -0.387 0.000 2.163 368 I HA -0.266 3.919 4.170 0.026 0.000 0.240 368 I C 2.596 178.627 176.117 -0.144 0.000 1.081 368 I CA 1.577 62.790 61.300 -0.144 0.000 1.353 368 I CB -0.674 37.332 38.000 0.009 0.000 1.054 368 I HN 0.202 nan 8.210 nan 0.000 0.407 369 T N 0.787 115.223 114.554 -0.197 0.000 2.624 369 T HA -0.221 4.144 4.350 0.026 0.000 0.268 369 T C 1.751 176.471 174.700 0.033 0.000 1.041 369 T CA 1.749 63.803 62.100 -0.078 0.000 1.159 369 T CB -0.494 68.284 68.868 -0.151 0.000 0.863 369 T HN 0.351 nan 8.240 nan 0.000 0.434 370 N N 0.924 119.618 118.700 -0.010 0.000 2.069 370 N HA -0.036 4.720 4.740 0.026 0.000 0.191 370 N C 1.936 177.438 175.510 -0.015 0.000 1.031 370 N CA 1.117 54.191 53.050 0.039 0.000 0.852 370 N CB -0.326 38.233 38.487 0.120 0.000 1.018 370 N HN 0.346 nan 8.380 nan 0.000 0.423 371 L N 1.013 122.193 121.223 -0.070 0.000 2.201 371 L HA -0.057 4.299 4.340 0.026 0.000 0.212 371 L C 2.146 178.887 176.870 -0.214 0.000 1.105 371 L CA 0.485 55.274 54.840 -0.085 0.000 0.775 371 L CB -0.202 41.845 42.059 -0.021 0.000 0.913 371 L HN 0.150 nan 8.230 nan 0.000 0.440 372 L N -1.661 119.398 121.223 -0.274 0.000 2.478 372 L HA -0.130 4.225 4.340 0.026 0.000 0.223 372 L C 0.520 176.803 176.870 -0.979 0.000 1.140 372 L CA 0.733 55.238 54.840 -0.558 0.000 0.842 372 L CB -0.030 41.739 42.059 -0.483 0.000 0.953 372 L HN 0.246 nan 8.230 nan 0.000 0.452 373 Y N -0.832 119.225 120.300 -0.406 0.000 2.617 373 Y HA 0.233 4.798 4.550 0.026 0.000 0.328 373 Y C 0.391 176.080 175.900 -0.351 0.000 0.946 373 Y CA -0.663 57.150 58.100 -0.480 0.000 1.241 373 Y CB -0.286 38.076 38.460 -0.163 0.000 1.226 373 Y HN 0.159 nan 8.280 nan 0.000 0.582 374 H N -3.008 115.979 119.070 -0.138 0.000 3.642 374 H HA -0.155 4.417 4.556 0.027 0.000 0.185 374 H C 0.133 175.438 175.328 -0.037 0.000 0.992 374 H CA 0.591 56.545 56.048 -0.156 0.000 1.216 374 H CB -1.596 27.970 29.762 -0.328 0.000 1.055 374 H HN 0.127 nan 8.280 nan 0.000 0.351 375 V N 2.893 122.847 119.914 0.066 0.000 2.637 375 V HA 0.057 4.193 4.120 0.026 0.000 0.296 375 V C 1.998 178.110 176.094 0.030 0.000 1.046 375 V CA 0.692 63.029 62.300 0.061 0.000 1.066 375 V CB 1.570 33.413 31.823 0.033 0.000 0.968 375 V HN 0.348 nan 8.190 nan 0.000 0.483 376 V N 1.538 121.491 119.914 0.065 0.000 3.647 376 V HA 0.655 4.790 4.120 0.026 0.000 0.279 376 V C 0.677 176.736 176.094 -0.058 0.000 1.314 376 V CA 0.852 63.188 62.300 0.061 0.000 1.125 376 V CB -0.180 31.739 31.823 0.160 0.000 0.907 376 V HN 0.974 nan 8.190 nan 0.000 0.434 377 G N -1.335 107.328 108.800 -0.228 0.000 2.632 377 G HA2 0.464 4.440 3.960 0.026 0.000 0.292 377 G HA3 0.464 4.440 3.960 0.026 0.000 0.292 377 G C -2.602 171.847 174.900 -0.752 0.000 1.465 377 G CA -0.637 44.102 45.100 -0.602 0.000 0.824 377 G HN 0.281 nan 8.290 nan 0.000 0.509 378 W N 1.231 121.973 121.300 -0.930 0.000 2.968 378 W HA 0.615 5.293 4.660 0.030 0.000 0.337 378 W C -0.629 175.615 176.519 -0.459 0.000 1.060 378 W CA -0.421 56.558 57.345 -0.610 0.000 1.240 378 W CB 2.399 31.665 29.460 -0.323 0.000 1.370 378 W HN 0.561 nan 8.180 nan 0.000 0.459 379 T N 4.181 118.403 114.554 -0.553 0.000 2.792 379 T HA 0.163 4.529 4.350 0.026 0.000 0.280 379 T C -0.628 173.767 174.700 -0.508 0.000 0.990 379 T CA -0.504 61.387 62.100 -0.348 0.000 0.960 379 T CB 1.523 70.282 68.868 -0.182 0.000 0.939 379 T HN 0.355 nan 8.240 nan 0.000 0.439 380 D N 0.874 121.158 120.400 -0.194 0.000 2.398 380 D HA 0.223 4.878 4.640 0.026 0.000 0.247 380 D C 0.276 176.604 176.300 0.048 0.000 1.227 380 D CA -0.663 53.291 54.000 -0.077 0.000 0.980 380 D CB 0.879 41.860 40.800 0.302 0.000 1.106 380 D HN 0.556 nan 8.370 nan 0.000 0.493 381 W N 0.520 121.725 121.300 -0.159 0.000 1.705 381 W HA 0.132 4.807 4.660 0.025 0.000 0.634 381 W C 0.284 176.735 176.519 -0.114 0.000 1.570 381 W CA -0.737 56.508 57.345 -0.167 0.000 1.631 381 W CB 0.061 29.388 29.460 -0.222 0.000 3.266 381 W HN 0.220 nan 8.180 nan 0.000 0.778 382 N N 2.614 120.971 118.700 -0.572 0.000 2.217 382 N HA -0.144 4.612 4.740 0.026 0.000 0.268 382 N C 0.846 176.243 175.510 -0.189 0.000 1.290 382 N CA 0.668 53.355 53.050 -0.605 0.000 0.831 382 N CB 0.745 38.706 38.487 -0.877 0.000 1.057 382 N HN 0.344 nan 8.380 nan 0.000 0.481 383 L N 1.239 122.400 121.223 -0.104 0.000 2.131 383 L HA -0.090 4.265 4.340 0.026 0.000 0.210 383 L C 1.045 178.012 176.870 0.162 0.000 1.092 383 L CA 0.988 55.835 54.840 0.012 0.000 0.759 383 L CB -0.086 41.960 42.059 -0.022 0.000 0.903 383 L HN 0.613 nan 8.230 nan 0.000 0.435 384 A N -0.916 121.926 122.820 0.037 0.000 2.574 384 A HA 0.752 5.087 4.320 0.026 0.000 0.297 384 A C -1.157 176.407 177.584 -0.033 0.000 1.062 384 A CA -0.471 51.590 52.037 0.040 0.000 0.686 384 A CB 1.485 20.507 19.000 0.038 0.000 1.285 384 A HN -0.009 nan 8.150 nan 0.000 0.403 385 L N 0.820 122.034 121.223 -0.014 0.000 2.322 385 L HA 0.499 4.855 4.340 0.026 0.000 0.252 385 L C -0.152 176.723 176.870 0.009 0.000 1.055 385 L CA -1.239 53.597 54.840 -0.007 0.000 0.849 385 L CB 2.243 44.296 42.059 -0.010 0.000 1.446 385 L HN 0.984 nan 8.230 nan 0.000 0.416 386 N N -0.481 118.223 118.700 0.007 0.000 2.413 386 N HA 0.309 5.065 4.740 0.026 0.000 0.266 386 N C -2.416 173.069 175.510 -0.041 0.000 1.238 386 N CA -1.692 51.350 53.050 -0.012 0.000 0.972 386 N CB -0.076 38.399 38.487 -0.020 0.000 1.210 386 N HN 0.154 nan 8.380 nan 0.000 0.547 387 P HA -0.111 nan 4.420 nan 0.000 0.225 387 P C 0.668 177.889 177.300 -0.132 0.000 1.148 387 P CA 1.149 64.203 63.100 -0.076 0.000 0.779 387 P CB 0.150 31.819 31.700 -0.052 0.000 0.780 388 E N -0.516 119.562 120.200 -0.204 0.000 2.371 388 E HA 0.035 4.400 4.350 0.026 0.000 0.194 388 E C 0.876 177.219 176.600 -0.427 0.000 1.012 388 E CA 0.636 56.803 56.400 -0.389 0.000 0.860 388 E CB -0.492 28.850 29.700 -0.597 0.000 0.811 388 E HN 0.119 nan 8.360 nan 0.000 0.502 389 G N -0.198 108.492 108.800 -0.183 0.000 2.164 389 G HA2 -0.169 3.807 3.960 0.026 0.000 0.212 389 G HA3 -0.169 3.807 3.960 0.026 0.000 0.212 389 G C 0.130 175.206 174.900 0.293 0.000 1.031 389 G CA 0.009 45.139 45.100 0.049 0.000 0.730 389 G HN 0.603 nan 8.290 nan 0.000 0.501 390 G N -0.796 108.082 108.800 0.130 0.000 3.135 390 G HA2 0.888 4.864 3.960 0.026 0.000 0.278 390 G HA3 0.888 4.864 3.960 0.026 0.000 0.278 390 G C -2.901 172.120 174.900 0.202 0.000 1.302 390 G CA -0.518 44.780 45.100 0.329 0.000 0.880 390 G HN 0.238 nan 8.290 nan 0.000 0.574 391 P HA 0.185 nan 4.420 nan 0.000 0.274 391 P C -1.118 176.280 177.300 0.163 0.000 1.237 391 P CA -0.214 63.019 63.100 0.221 0.000 0.793 391 P CB 1.349 33.133 31.700 0.140 0.000 0.977 392 N N 1.473 120.215 118.700 0.071 0.000 2.537 392 N HA 0.044 4.799 4.740 0.026 0.000 0.281 392 N C 0.733 176.071 175.510 -0.286 0.000 1.097 392 N CA -0.611 52.204 53.050 -0.392 0.000 0.964 392 N CB 0.977 38.918 38.487 -0.911 0.000 1.588 392 N HN 0.557 nan 8.380 nan 0.000 0.511 393 W N 3.549 124.664 121.300 -0.308 0.000 2.595 393 W HA 0.153 4.829 4.660 0.026 0.000 0.257 393 W C -0.253 176.143 176.519 -0.206 0.000 1.267 393 W CA 0.197 57.428 57.345 -0.190 0.000 1.300 393 W CB -0.311 29.071 29.460 -0.130 0.000 1.120 393 W HN 0.250 nan 8.180 nan 0.000 0.618 394 V N 2.172 121.519 119.914 -0.945 0.000 3.427 394 V HA 0.198 4.334 4.120 0.026 0.000 0.305 394 V C 1.058 176.736 176.094 -0.694 0.000 1.412 394 V CA -0.062 61.687 62.300 -0.918 0.000 1.086 394 V CB -0.689 30.351 31.823 -1.305 0.000 0.964 394 V HN 0.150 nan 8.190 nan 0.000 0.439 395 R N 0.814 120.812 120.500 -0.837 0.000 3.651 395 R HA -0.213 4.143 4.340 0.026 0.000 0.292 395 R C 0.642 176.217 176.300 -1.210 0.000 1.161 395 R CA 1.016 56.322 56.100 -1.324 0.000 0.787 395 R CB -2.385 27.510 30.300 -0.675 0.000 1.249 395 R HN 0.628 nan 8.270 nan 0.000 0.476 396 N N 1.097 119.227 118.700 -0.951 0.000 3.250 396 N HA 0.054 4.810 4.740 0.026 0.000 0.307 396 N C -0.639 174.708 175.510 -0.272 0.000 1.355 396 N CA -0.232 52.514 53.050 -0.506 0.000 1.192 396 N CB 0.170 38.407 38.487 -0.416 0.000 1.478 396 N HN -0.002 nan 8.380 nan 0.000 0.543 397 F N 0.776 120.714 119.950 -0.020 0.000 2.471 397 F HA 0.157 4.699 4.527 0.026 0.000 0.353 397 F C 1.062 176.993 175.800 0.219 0.000 1.113 397 F CA -0.538 57.532 58.000 0.117 0.000 1.262 397 F CB 0.672 39.706 39.000 0.056 0.000 1.146 397 F HN -0.072 nan 8.300 nan 0.000 0.578 398 V N -1.331 118.894 119.914 0.519 0.000 3.084 398 V HA 0.635 4.770 4.120 0.026 0.000 0.311 398 V C -0.866 175.328 176.094 0.166 0.000 1.311 398 V CA -0.948 61.533 62.300 0.302 0.000 1.062 398 V CB 1.793 33.819 31.823 0.338 0.000 1.113 398 V HN 0.524 nan 8.190 nan 0.000 0.468 399 D N 0.010 120.469 120.400 0.098 0.000 2.388 399 D HA 0.700 5.355 4.640 0.026 0.000 0.254 399 D C -0.646 175.669 176.300 0.024 0.000 1.111 399 D CA 0.241 54.258 54.000 0.028 0.000 0.993 399 D CB 1.965 42.755 40.800 -0.016 0.000 1.118 399 D HN 0.929 nan 8.370 nan 0.000 0.502 400 S N -0.066 115.633 115.700 -0.002 0.000 2.541 400 S HA 0.462 4.948 4.470 0.026 0.000 0.271 400 S C -2.318 172.304 174.600 0.037 0.000 1.133 400 S CA -1.225 56.989 58.200 0.023 0.000 0.876 400 S CB 1.771 64.969 63.200 -0.005 0.000 1.105 400 S HN 0.110 nan 8.310 nan 0.000 0.470 401 P HA 0.169 nan 4.420 nan 0.000 0.220 401 P C -0.335 177.053 177.300 0.148 0.000 1.148 401 P CA 0.990 64.169 63.100 0.131 0.000 0.803 401 P CB 0.050 31.932 31.700 0.304 0.000 0.782 402 I N 0.021 120.682 120.570 0.152 0.000 2.418 402 I HA 0.242 4.428 4.170 0.026 0.000 0.287 402 I C -0.474 175.694 176.117 0.086 0.000 1.008 402 I CA -0.918 60.433 61.300 0.085 0.000 1.104 402 I CB 2.053 40.048 38.000 -0.007 0.000 1.264 402 I HN -0.282 nan 8.210 nan 0.000 0.438 403 I N 7.212 127.851 120.570 0.116 0.000 2.362 403 I HA 0.309 4.495 4.170 0.026 0.000 0.289 403 I C -0.007 176.170 176.117 0.099 0.000 0.994 403 I CA -0.725 60.641 61.300 0.110 0.000 1.158 403 I CB 1.732 39.808 38.000 0.126 0.000 1.315 403 I HN 0.127 nan 8.210 nan 0.000 0.451 404 V N 5.629 125.569 119.914 0.045 0.000 2.383 404 V HA 0.229 4.364 4.120 0.026 0.000 0.275 404 V C 0.104 176.203 176.094 0.008 0.000 1.036 404 V CA -0.512 61.796 62.300 0.013 0.000 0.889 404 V CB 1.634 33.457 31.823 -0.001 0.000 0.985 404 V HN 0.598 nan 8.190 nan 0.000 0.459 405 D N 4.483 124.862 120.400 -0.034 0.000 2.467 405 D HA 0.337 4.993 4.640 0.026 0.000 0.220 405 D C 0.962 177.265 176.300 0.006 0.000 1.103 405 D CA -0.259 53.751 54.000 0.018 0.000 0.886 405 D CB 1.081 41.930 40.800 0.080 0.000 1.025 405 D HN 0.444 nan 8.370 nan 0.000 0.514 406 I N 1.733 122.312 120.570 0.015 0.000 2.264 406 I HA -0.279 3.906 4.170 0.026 0.000 0.248 406 I C 2.419 178.547 176.117 0.019 0.000 1.111 406 I CA 1.489 62.798 61.300 0.015 0.000 1.382 406 I CB -0.161 37.847 38.000 0.014 0.000 1.060 406 I HN 0.453 nan 8.210 nan 0.000 0.418 407 T N -1.822 112.748 114.554 0.026 0.000 2.962 407 T HA -0.134 4.232 4.350 0.026 0.000 0.270 407 T C 1.585 176.303 174.700 0.029 0.000 1.088 407 T CA 0.973 63.091 62.100 0.029 0.000 1.127 407 T CB -0.208 68.682 68.868 0.036 0.000 0.883 407 T HN 0.342 nan 8.240 nan 0.000 0.493 408 K N 0.521 120.938 120.400 0.029 0.000 2.358 408 K HA 0.134 4.470 4.320 0.026 0.000 0.200 408 K C 0.228 176.829 176.600 0.001 0.000 1.030 408 K CA 0.222 56.523 56.287 0.023 0.000 1.097 408 K CB 0.248 32.776 32.500 0.045 0.000 0.862 408 K HN 0.169 nan 8.250 nan 0.000 0.534 409 D N 2.490 122.893 120.400 0.006 0.000 2.692 409 D HA -0.154 4.502 4.640 0.026 0.000 0.233 409 D C -0.944 175.357 176.300 0.002 0.000 1.172 409 D CA 1.230 55.238 54.000 0.015 0.000 0.636 409 D CB -0.797 40.015 40.800 0.020 0.000 1.028 409 D HN 0.421 nan 8.370 nan 0.000 0.419 410 T N -1.550 112.975 114.554 -0.047 0.000 2.906 410 T HA 0.731 5.097 4.350 0.026 0.000 0.295 410 T C -0.164 174.408 174.700 -0.213 0.000 1.061 410 T CA -1.051 60.941 62.100 -0.179 0.000 1.000 410 T CB 1.621 70.314 68.868 -0.291 0.000 1.103 410 T HN 0.313 nan 8.240 nan 0.000 0.486 411 F N -0.549 119.136 119.950 -0.441 0.000 2.588 411 F HA 0.823 5.366 4.527 0.026 0.000 0.314 411 F C -1.839 173.648 175.800 -0.521 0.000 1.069 411 F CA -1.822 55.893 58.000 -0.475 0.000 0.931 411 F CB 1.362 40.216 39.000 -0.242 0.000 1.260 411 F HN 0.613 nan 8.300 nan 0.000 0.465 412 Y N 1.048 121.398 120.300 0.084 0.000 2.341 412 Y HA 0.497 5.063 4.550 0.026 0.000 0.338 412 Y C -0.575 175.335 175.900 0.016 0.000 0.965 412 Y CA -1.117 56.987 58.100 0.007 0.000 1.108 412 Y CB 2.101 40.563 38.460 0.003 0.000 1.180 412 Y HN 0.456 nan 8.280 nan 0.000 0.458 413 K N 4.243 124.715 120.400 0.120 0.000 2.264 413 K HA 0.253 4.588 4.320 0.026 0.000 0.277 413 K C -0.357 176.379 176.600 0.227 0.000 1.067 413 K CA -0.593 55.678 56.287 -0.026 0.000 0.900 413 K CB 0.894 33.124 32.500 -0.449 0.000 1.124 413 K HN 0.587 nan 8.250 nan 0.000 0.469 414 Q N 2.558 122.479 119.800 0.202 0.000 2.396 414 Q HA 0.072 4.428 4.340 0.026 0.000 0.221 414 Q C -1.682 174.551 176.000 0.388 0.000 1.025 414 Q CA -1.816 54.127 55.803 0.233 0.000 0.946 414 Q CB 0.215 29.006 28.738 0.087 0.000 1.224 414 Q HN 0.262 nan 8.270 nan 0.000 0.539 415 P HA -0.214 nan 4.420 nan 0.000 0.217 415 P C 1.255 178.709 177.300 0.258 0.000 1.151 415 P CA 1.732 65.063 63.100 0.385 0.000 0.849 415 P CB 0.054 31.853 31.700 0.165 0.000 0.787 416 M N -2.745 116.846 119.600 -0.015 0.000 2.108 416 M HA -0.220 4.275 4.480 0.026 0.000 0.257 416 M C 2.039 178.367 176.300 0.047 0.000 1.071 416 M CA 1.903 57.088 55.300 -0.192 0.000 1.093 416 M CB -0.985 31.278 32.600 -0.563 0.000 1.345 416 M HN -0.081 nan 8.290 nan 0.000 0.403 417 F N 0.316 120.244 119.950 -0.036 0.000 2.065 417 F HA -0.302 4.239 4.527 0.024 0.000 0.298 417 F C 1.929 177.630 175.800 -0.165 0.000 1.112 417 F CA 1.825 59.731 58.000 -0.157 0.000 1.212 417 F CB -0.537 38.197 39.000 -0.443 0.000 0.975 417 F HN 0.031 nan 8.300 nan 0.000 0.476 418 Y N -0.616 119.882 120.300 0.331 0.000 2.220 418 Y HA -0.195 4.373 4.550 0.029 0.000 0.291 418 Y C 2.816 178.868 175.900 0.253 0.000 1.129 418 Y CA 1.811 60.072 58.100 0.269 0.000 1.161 418 Y CB -1.128 37.571 38.460 0.399 0.000 0.997 418 Y HN 0.165 nan 8.280 nan 0.000 0.522 419 H N -0.339 118.893 119.070 0.271 0.000 2.352 419 H HA -0.201 4.371 4.556 0.027 0.000 0.299 419 H C 2.365 177.870 175.328 0.294 0.000 1.097 419 H CA 1.765 57.950 56.048 0.227 0.000 1.311 419 H CB -0.385 29.410 29.762 0.054 0.000 1.377 419 H HN 0.335 nan 8.280 nan 0.000 0.504 420 L N 0.176 121.576 121.223 0.295 0.000 2.012 420 L HA -0.136 4.220 4.340 0.026 0.000 0.210 420 L C 2.812 179.736 176.870 0.090 0.000 1.073 420 L CA 1.332 56.297 54.840 0.208 0.000 0.748 420 L CB -0.592 41.622 42.059 0.258 0.000 0.891 420 L HN 0.299 nan 8.230 nan 0.000 0.431 421 G N -2.053 106.673 108.800 -0.122 0.000 2.432 421 G HA2 -0.278 3.697 3.960 0.026 0.000 0.219 421 G HA3 -0.278 3.697 3.960 0.026 0.000 0.219 421 G C 1.333 176.072 174.900 -0.269 0.000 1.135 421 G CA 0.483 45.397 45.100 -0.311 0.000 0.767 421 G HN 0.464 nan 8.290 nan 0.000 0.550 422 H N -0.531 118.486 119.070 -0.087 0.000 2.489 422 H HA -0.061 4.510 4.556 0.025 0.000 0.295 422 H C 2.044 177.168 175.328 -0.339 0.000 1.082 422 H CA 1.349 57.321 56.048 -0.126 0.000 1.295 422 H CB 0.011 29.602 29.762 -0.284 0.000 1.380 422 H HN 0.501 nan 8.280 nan 0.000 0.548 423 F N -0.051 119.813 119.950 -0.143 0.000 2.298 423 F HA -0.074 4.470 4.527 0.029 0.000 0.282 423 F C 2.887 178.243 175.800 -0.740 0.000 1.045 423 F CA 0.717 58.445 58.000 -0.454 0.000 1.280 423 F CB -0.590 37.971 39.000 -0.733 0.000 1.114 423 F HN 0.021 nan 8.300 nan 0.000 0.546 424 S N 0.421 115.779 115.700 -0.571 0.000 2.382 424 S HA -0.239 4.246 4.470 0.026 0.000 0.228 424 S C 1.963 176.337 174.600 -0.376 0.000 1.027 424 S CA 1.383 59.309 58.200 -0.456 0.000 0.991 424 S CB -0.637 62.538 63.200 -0.042 0.000 0.823 424 S HN 0.372 nan 8.310 nan 0.000 0.469 425 K N 0.217 120.239 120.400 -0.630 0.000 2.217 425 K HA 0.086 4.422 4.320 0.026 0.000 0.202 425 K C 0.600 176.606 176.600 -0.989 0.000 1.051 425 K CA 1.026 56.722 56.287 -0.986 0.000 0.952 425 K CB -0.126 31.393 32.500 -1.635 0.000 0.736 425 K HN 0.569 nan 8.250 nan 0.000 0.453 426 F N -0.174 119.625 119.950 -0.252 0.000 2.682 426 F HA 0.311 4.855 4.527 0.029 0.000 0.308 426 F C 0.061 175.845 175.800 -0.027 0.000 1.093 426 F CA -0.521 57.396 58.000 -0.137 0.000 1.244 426 F CB 0.898 39.804 39.000 -0.157 0.000 1.052 426 F HN -0.184 nan 8.300 nan 0.000 0.573 427 I N 2.638 123.220 120.570 0.019 0.000 2.714 427 I HA 0.243 4.429 4.170 0.026 0.000 0.276 427 I C -2.527 173.621 176.117 0.051 0.000 1.196 427 I CA -1.968 59.383 61.300 0.084 0.000 1.068 427 I CB 0.877 39.020 38.000 0.239 0.000 1.291 427 I HN -0.233 nan 8.210 nan 0.000 0.530 428 P HA 0.037 nan 4.420 nan 0.000 0.272 428 P C -0.106 177.191 177.300 -0.005 0.000 1.240 428 P CA -0.219 62.836 63.100 -0.076 0.000 0.791 428 P CB 0.733 32.333 31.700 -0.167 0.000 0.978 429 E N 0.040 120.241 120.200 0.001 0.000 2.529 429 E HA 0.153 4.519 4.350 0.026 0.000 0.259 429 E C 1.006 177.601 176.600 -0.008 0.000 0.966 429 E CA 1.010 57.401 56.400 -0.013 0.000 0.937 429 E CB -0.691 28.980 29.700 -0.048 0.000 0.923 429 E HN 0.776 nan 8.360 nan 0.000 0.468 430 G N 3.029 111.834 108.800 0.009 0.000 2.194 430 G HA2 -0.261 3.715 3.960 0.026 0.000 0.236 430 G HA3 -0.261 3.715 3.960 0.026 0.000 0.236 430 G C 0.203 175.128 174.900 0.041 0.000 0.987 430 G CA 0.119 45.233 45.100 0.024 0.000 0.635 430 G HN 0.592 nan 8.290 nan 0.000 0.520 431 S N 0.064 115.793 115.700 0.048 0.000 2.573 431 S HA 0.456 4.942 4.470 0.026 0.000 0.277 431 S C 0.178 174.835 174.600 0.094 0.000 1.346 431 S CA 0.481 58.732 58.200 0.085 0.000 1.034 431 S CB 1.583 64.854 63.200 0.118 0.000 0.879 431 S HN 0.662 nan 8.310 nan 0.000 0.528 432 Q N 1.365 121.223 119.800 0.096 0.000 2.321 432 Q HA 0.325 4.681 4.340 0.026 0.000 0.270 432 Q C -0.590 175.479 176.000 0.116 0.000 1.032 432 Q CA -0.721 55.140 55.803 0.097 0.000 0.784 432 Q CB 1.146 29.926 28.738 0.071 0.000 1.264 432 Q HN 0.604 nan 8.270 nan 0.000 0.448 433 R N 2.738 123.326 120.500 0.146 0.000 2.489 433 R HA 0.249 4.604 4.340 0.026 0.000 0.287 433 R C -0.432 176.028 176.300 0.266 0.000 1.053 433 R CA 0.163 56.364 56.100 0.168 0.000 1.036 433 R CB 0.341 30.714 30.300 0.122 0.000 0.966 433 R HN 0.521 nan 8.270 nan 0.000 0.432 434 V N 1.077 121.122 119.914 0.218 0.000 3.158 434 V HA 0.777 4.913 4.120 0.026 0.000 0.315 434 V C 0.302 176.570 176.094 0.290 0.000 1.148 434 V CA -0.748 61.682 62.300 0.218 0.000 1.042 434 V CB 1.444 33.310 31.823 0.072 0.000 1.101 434 V HN 0.811 nan 8.190 nan 0.000 0.448 435 G N 0.054 109.013 108.800 0.264 0.000 2.503 435 G HA2 0.566 4.541 3.960 0.026 0.000 0.257 435 G HA3 0.566 4.541 3.960 0.026 0.000 0.257 435 G C -1.153 173.822 174.900 0.125 0.000 1.214 435 G CA -0.265 44.997 45.100 0.269 0.000 0.839 435 G HN 1.267 nan 8.290 nan 0.000 0.559 436 L N 1.898 123.172 121.223 0.085 0.000 2.596 436 L HA 0.491 4.846 4.340 0.026 0.000 0.265 436 L C -0.891 175.997 176.870 0.031 0.000 0.962 436 L CA -0.456 54.414 54.840 0.050 0.000 0.891 436 L CB 2.061 44.146 42.059 0.044 0.000 1.248 436 L HN 0.351 nan 8.230 nan 0.000 0.410 437 V N 3.998 123.929 119.914 0.027 0.000 2.483 437 V HA 0.876 5.011 4.120 0.026 0.000 0.295 437 V C 0.477 176.578 176.094 0.012 0.000 1.035 437 V CA -0.236 62.076 62.300 0.021 0.000 0.896 437 V CB 1.622 33.461 31.823 0.027 0.000 0.986 437 V HN 0.906 nan 8.190 nan 0.000 0.447 438 A N 2.892 125.719 122.820 0.012 0.000 2.310 438 A HA 0.560 4.895 4.320 0.026 0.000 0.299 438 A C 1.140 178.732 177.584 0.015 0.000 1.147 438 A CA 0.199 52.242 52.037 0.009 0.000 0.818 438 A CB 0.953 19.959 19.000 0.010 0.000 1.096 438 A HN 1.127 nan 8.150 nan 0.000 0.495 439 S N 0.733 116.441 115.700 0.015 0.000 2.489 439 S HA 0.091 4.577 4.470 0.026 0.000 0.228 439 S C 0.550 175.163 174.600 0.021 0.000 0.995 439 S CA 0.787 59.000 58.200 0.022 0.000 0.934 439 S CB -0.361 62.856 63.200 0.029 0.000 0.771 439 S HN 1.046 nan 8.310 nan 0.000 0.522 440 Q N -0.552 119.259 119.800 0.018 0.000 2.687 440 Q HA 0.432 4.787 4.340 0.026 0.000 0.295 440 Q C -1.845 174.166 176.000 0.017 0.000 0.920 440 Q CA -1.093 54.721 55.803 0.018 0.000 0.766 440 Q CB 0.672 29.421 28.738 0.017 0.000 1.467 440 Q HN 0.029 nan 8.270 nan 0.000 0.415 441 K N 1.122 121.533 120.400 0.018 0.000 2.401 441 K HA 0.212 4.547 4.320 0.026 0.000 0.278 441 K C -0.672 175.938 176.600 0.018 0.000 1.018 441 K CA 0.659 56.958 56.287 0.020 0.000 0.981 441 K CB 0.324 32.837 32.500 0.021 0.000 0.933 441 K HN 0.733 nan 8.250 nan 0.000 0.477 442 N N 0.021 118.734 118.700 0.021 0.000 2.853 442 N HA 0.219 4.975 4.740 0.026 0.000 0.258 442 N C -1.109 174.416 175.510 0.024 0.000 1.444 442 N CA -0.818 52.243 53.050 0.018 0.000 0.837 442 N CB 1.155 39.650 38.487 0.013 0.000 1.489 442 N HN 0.188 nan 8.380 nan 0.000 0.529 443 D N -0.310 120.101 120.400 0.019 0.000 2.368 443 D HA 0.253 4.908 4.640 0.026 0.000 0.218 443 D C -0.236 176.086 176.300 0.036 0.000 1.112 443 D CA 0.151 54.165 54.000 0.024 0.000 0.834 443 D CB 0.078 40.883 40.800 0.008 0.000 0.953 443 D HN 0.370 nan 8.370 nan 0.000 0.505 444 L N 0.560 121.806 121.223 0.038 0.000 2.375 444 L HA 0.360 4.716 4.340 0.026 0.000 0.268 444 L C 0.310 177.228 176.870 0.080 0.000 1.058 444 L CA -0.735 54.136 54.840 0.051 0.000 0.803 444 L CB 1.400 43.477 42.059 0.031 0.000 1.212 444 L HN -0.272 nan 8.230 nan 0.000 0.451 445 D N 1.650 122.116 120.400 0.111 0.000 2.217 445 D HA 0.630 5.286 4.640 0.026 0.000 0.243 445 D C -0.655 175.710 176.300 0.110 0.000 1.054 445 D CA -0.092 53.988 54.000 0.133 0.000 0.838 445 D CB 2.403 43.333 40.800 0.216 0.000 1.162 445 D HN 0.592 nan 8.370 nan 0.000 0.472 446 A N 1.467 124.338 122.820 0.085 0.000 2.587 446 A HA 0.701 5.036 4.320 0.026 0.000 0.293 446 A C -1.458 176.169 177.584 0.072 0.000 1.087 446 A CA -0.756 51.332 52.037 0.085 0.000 0.692 446 A CB 2.272 21.310 19.000 0.063 0.000 1.291 446 A HN 0.356 nan 8.150 nan 0.000 0.407 447 V N 0.085 120.056 119.914 0.095 0.000 2.932 447 V HA 0.814 4.950 4.120 0.026 0.000 0.307 447 V C -0.595 175.552 176.094 0.089 0.000 1.147 447 V CA 0.196 62.543 62.300 0.078 0.000 0.951 447 V CB 1.876 33.764 31.823 0.108 0.000 1.031 447 V HN 2.080 nan 8.190 nan 0.000 0.426 448 A N 6.195 129.056 122.820 0.068 0.000 2.350 448 A HA 0.999 5.334 4.320 0.026 0.000 0.324 448 A C -1.512 176.109 177.584 0.061 0.000 1.118 448 A CA -0.514 51.559 52.037 0.061 0.000 0.783 448 A CB 1.404 20.441 19.000 0.061 0.000 1.236 448 A HN 0.899 nan 8.150 nan 0.000 0.457 449 L N 0.958 122.201 121.223 0.034 0.000 2.409 449 L HA 0.650 5.006 4.340 0.026 0.000 0.255 449 L C -0.351 176.512 176.870 -0.012 0.000 1.027 449 L CA -0.146 54.730 54.840 0.059 0.000 0.834 449 L CB 2.052 44.188 42.059 0.128 0.000 1.426 449 L HN 0.734 nan 8.230 nan 0.000 0.411 450 M N 0.463 120.071 119.600 0.014 0.000 2.243 450 M HA 0.437 4.933 4.480 0.026 0.000 0.324 450 M C -0.608 175.747 176.300 0.093 0.000 1.031 450 M CA -0.466 54.813 55.300 -0.036 0.000 0.949 450 M CB 1.588 34.154 32.600 -0.057 0.000 1.615 450 M HN 0.535 nan 8.290 nan 0.000 0.430 451 H N 2.555 121.578 119.070 -0.079 0.000 2.836 451 H HA 0.014 4.586 4.556 0.026 0.000 0.368 451 H C -1.573 173.735 175.328 -0.033 0.000 1.164 451 H CA -1.386 54.642 56.048 -0.035 0.000 1.425 451 H CB 0.371 30.109 29.762 -0.040 0.000 1.414 451 H HN 0.433 nan 8.280 nan 0.000 0.614 452 P HA -0.197 nan 4.420 nan 0.000 0.217 452 P C 0.824 178.148 177.300 0.039 0.000 1.148 452 P CA 1.598 64.729 63.100 0.052 0.000 0.828 452 P CB 0.052 31.774 31.700 0.036 0.000 0.783 453 D N -2.018 118.411 120.400 0.049 0.000 2.363 453 D HA 0.051 4.707 4.640 0.026 0.000 0.226 453 D C 1.430 177.693 176.300 -0.061 0.000 1.020 453 D CA 0.774 54.770 54.000 -0.006 0.000 0.892 453 D CB -0.970 39.817 40.800 -0.021 0.000 0.900 453 D HN 0.240 nan 8.370 nan 0.000 0.531 454 G N -0.090 108.674 108.800 -0.059 0.000 2.175 454 G HA2 -0.285 3.691 3.960 0.026 0.000 0.244 454 G HA3 -0.285 3.691 3.960 0.026 0.000 0.244 454 G C 0.444 175.219 174.900 -0.207 0.000 0.982 454 G CA 0.390 45.431 45.100 -0.099 0.000 0.641 454 G HN 0.849 nan 8.290 nan 0.000 0.527 455 S N 0.036 115.542 115.700 -0.323 0.000 2.600 455 S HA 0.787 5.273 4.470 0.026 0.000 0.265 455 S C 0.455 174.673 174.600 -0.637 0.000 1.325 455 S CA 0.576 58.433 58.200 -0.572 0.000 1.002 455 S CB 1.998 64.691 63.200 -0.845 0.000 0.921 455 S HN 1.923 nan 8.310 nan 0.000 0.554 456 A N 0.521 122.804 122.820 -0.895 0.000 2.320 456 A HA 0.803 5.138 4.320 0.026 0.000 0.334 456 A C -0.570 176.448 177.584 -0.944 0.000 1.147 456 A CA -0.859 50.562 52.037 -1.025 0.000 0.820 456 A CB 1.371 19.362 19.000 -1.681 0.000 1.218 456 A HN 1.510 nan 8.150 nan 0.000 0.482 457 V N 2.267 121.831 119.914 -0.584 0.000 2.733 457 V HA 0.646 4.782 4.120 0.026 0.000 0.306 457 V C -1.467 174.571 176.094 -0.092 0.000 1.084 457 V CA -0.342 61.801 62.300 -0.262 0.000 0.905 457 V CB 1.922 33.723 31.823 -0.037 0.000 1.010 457 V HN 0.831 nan 8.190 nan 0.000 0.424 458 V N 6.738 126.697 119.914 0.075 0.000 2.531 458 V HA 0.564 4.700 4.120 0.026 0.000 0.301 458 V C -0.397 175.798 176.094 0.168 0.000 1.034 458 V CA -0.635 61.761 62.300 0.161 0.000 0.865 458 V CB 2.059 34.044 31.823 0.270 0.000 0.995 458 V HN 0.699 nan 8.190 nan 0.000 0.424 459 V N 5.213 125.175 119.914 0.080 0.000 2.427 459 V HA 0.568 4.704 4.120 0.026 0.000 0.286 459 V C -0.264 175.874 176.094 0.073 0.000 1.034 459 V CA -0.538 61.750 62.300 -0.020 0.000 0.893 459 V CB 1.804 33.430 31.823 -0.329 0.000 0.982 459 V HN 0.607 nan 8.190 nan 0.000 0.452 460 V N 6.032 125.998 119.914 0.088 0.000 2.483 460 V HA 0.474 4.610 4.120 0.026 0.000 0.297 460 V C -0.603 175.509 176.094 0.029 0.000 1.027 460 V CA -0.527 61.829 62.300 0.093 0.000 0.855 460 V CB 1.667 33.581 31.823 0.153 0.000 0.995 460 V HN 0.683 nan 8.190 nan 0.000 0.424 461 L N 4.697 125.960 121.223 0.067 0.000 2.322 461 L HA 0.698 5.053 4.340 0.026 0.000 0.281 461 L C -0.430 176.498 176.870 0.096 0.000 1.014 461 L CA 0.068 54.964 54.840 0.095 0.000 0.815 461 L CB 1.666 43.836 42.059 0.184 0.000 1.247 461 L HN 0.632 nan 8.230 nan 0.000 0.421 462 N N 3.863 122.623 118.700 0.100 0.000 2.564 462 N HA 0.362 5.118 4.740 0.026 0.000 0.248 462 N C 0.116 175.714 175.510 0.147 0.000 0.986 462 N CA -0.291 52.802 53.050 0.072 0.000 0.921 462 N CB 1.038 39.520 38.487 -0.007 0.000 1.136 462 N HN 0.690 nan 8.380 nan 0.000 0.509 463 R N 0.501 121.083 120.500 0.137 0.000 2.300 463 R HA 0.092 4.447 4.340 0.026 0.000 0.199 463 R C 0.644 177.011 176.300 0.111 0.000 0.920 463 R CA 0.012 56.236 56.100 0.208 0.000 1.046 463 R CB 0.172 30.561 30.300 0.148 0.000 0.984 463 R HN 0.581 nan 8.270 nan 0.000 0.493 464 S N -0.200 115.458 115.700 -0.069 0.000 2.632 464 S HA 0.057 4.543 4.470 0.026 0.000 0.267 464 S C 1.234 175.463 174.600 -0.618 0.000 1.276 464 S CA -0.402 57.676 58.200 -0.203 0.000 0.998 464 S CB 1.773 64.906 63.200 -0.112 0.000 0.953 464 S HN 0.165 nan 8.310 nan 0.000 0.547 465 S N 0.243 115.600 115.700 -0.571 0.000 2.561 465 S HA 0.098 4.584 4.470 0.026 0.000 0.225 465 S C 0.329 174.734 174.600 -0.324 0.000 0.977 465 S CA -0.089 57.720 58.200 -0.651 0.000 0.926 465 S CB -0.506 62.575 63.200 -0.198 0.000 0.769 465 S HN 0.693 nan 8.310 nan 0.000 0.533 466 K N 2.168 122.433 120.400 -0.225 0.000 2.183 466 K HA 0.344 4.680 4.320 0.026 0.000 0.274 466 K C -1.290 175.250 176.600 -0.101 0.000 1.009 466 K CA -0.690 55.525 56.287 -0.120 0.000 0.888 466 K CB 0.721 33.175 32.500 -0.076 0.000 1.078 466 K HN 0.101 nan 8.250 nan 0.000 0.459 467 D N 1.586 121.946 120.400 -0.066 0.000 2.455 467 D HA 0.065 4.721 4.640 0.026 0.000 0.241 467 D C -0.451 175.828 176.300 -0.034 0.000 1.138 467 D CA 0.083 54.057 54.000 -0.043 0.000 0.877 467 D CB 0.885 41.674 40.800 -0.018 0.000 1.187 467 D HN 0.037 nan 8.370 nan 0.000 0.451 468 V N 5.135 125.031 119.914 -0.030 0.000 2.380 468 V HA 0.263 4.399 4.120 0.026 0.000 0.286 468 V C -2.165 173.922 176.094 -0.011 0.000 1.015 468 V CA -1.608 60.679 62.300 -0.022 0.000 0.834 468 V CB 1.668 33.475 31.823 -0.027 0.000 1.009 468 V HN 0.447 nan 8.190 nan 0.000 0.428 469 P HA 0.342 nan 4.420 nan 0.000 0.268 469 P C -0.833 176.461 177.300 -0.011 0.000 1.205 469 P CA 0.082 63.185 63.100 0.004 0.000 0.771 469 P CB 1.085 32.793 31.700 0.012 0.000 0.858 470 L N -0.959 120.246 121.223 -0.031 0.000 2.622 470 L HA 0.743 5.098 4.340 0.026 0.000 0.258 470 L C -1.203 175.588 176.870 -0.132 0.000 0.996 470 L CA -0.710 54.089 54.840 -0.069 0.000 0.858 470 L CB 1.958 43.971 42.059 -0.077 0.000 1.449 470 L HN 0.092 nan 8.230 nan 0.000 0.411 471 T N 1.975 116.422 114.554 -0.179 0.000 2.841 471 T HA 0.679 5.045 4.350 0.026 0.000 0.283 471 T C -0.410 174.132 174.700 -0.263 0.000 1.000 471 T CA -0.227 61.710 62.100 -0.272 0.000 0.977 471 T CB 1.599 70.162 68.868 -0.509 0.000 0.979 471 T HN 0.486 nan 8.240 nan 0.000 0.446 472 I N 2.819 123.181 120.570 -0.347 0.000 2.339 472 I HA 0.395 4.580 4.170 0.026 0.000 0.290 472 I C 0.223 176.122 176.117 -0.363 0.000 0.994 472 I CA -0.740 60.357 61.300 -0.337 0.000 1.191 472 I CB 1.361 39.092 38.000 -0.448 0.000 1.343 472 I HN 0.350 nan 8.210 nan 0.000 0.458 473 K N 5.448 125.669 120.400 -0.299 0.000 2.234 473 K HA 0.253 4.588 4.320 0.026 0.000 0.277 473 K C -1.093 175.309 176.600 -0.329 0.000 1.038 473 K CA -0.463 55.528 56.287 -0.493 0.000 0.888 473 K CB 0.998 33.226 32.500 -0.455 0.000 1.091 473 K HN 0.451 nan 8.250 nan 0.000 0.467 474 D N 6.288 126.470 120.400 -0.363 0.000 2.440 474 D HA 0.218 4.874 4.640 0.026 0.000 0.239 474 D C -1.708 174.481 176.300 -0.184 0.000 1.084 474 D CA -2.480 51.449 54.000 -0.119 0.000 0.843 474 D CB 1.879 42.751 40.800 0.120 0.000 1.097 474 D HN 0.331 nan 8.370 nan 0.000 0.531 475 P HA -0.102 nan 4.420 nan 0.000 0.222 475 P C 1.068 178.329 177.300 -0.065 0.000 1.147 475 P CA 0.587 63.612 63.100 -0.125 0.000 0.790 475 P CB 0.295 31.953 31.700 -0.069 0.000 0.780 476 A N 0.211 123.022 122.820 -0.015 0.000 1.933 476 A HA -0.101 4.235 4.320 0.026 0.000 0.218 476 A C 2.187 179.784 177.584 0.021 0.000 1.175 476 A CA 2.619 54.668 52.037 0.020 0.000 0.628 476 A CB -1.123 17.913 19.000 0.059 0.000 0.814 476 A HN 0.253 nan 8.150 nan 0.000 0.444 477 V N -6.252 113.660 119.914 -0.003 0.000 3.368 477 V HA 0.633 4.769 4.120 0.026 0.000 0.255 477 V C 1.044 177.099 176.094 -0.065 0.000 1.466 477 V CA 0.826 63.127 62.300 0.001 0.000 1.095 477 V CB -0.410 31.450 31.823 0.061 0.000 0.899 477 V HN 1.633 nan 8.190 nan 0.000 0.440 478 G N 0.727 109.412 108.800 -0.191 0.000 2.255 478 G HA2 0.115 4.090 3.960 0.026 0.000 0.216 478 G HA3 0.115 4.090 3.960 0.026 0.000 0.216 478 G C -1.323 173.278 174.900 -0.498 0.000 1.307 478 G CA -0.298 44.657 45.100 -0.240 0.000 1.162 478 G HN 0.386 nan 8.290 nan 0.000 0.494 479 F N 1.098 120.951 119.950 -0.163 0.000 2.495 479 F HA 0.705 5.247 4.527 0.025 0.000 0.327 479 F C 0.558 176.178 175.800 -0.300 0.000 1.103 479 F CA -0.823 57.032 58.000 -0.242 0.000 0.949 479 F CB 1.949 40.846 39.000 -0.171 0.000 1.142 479 F HN 0.355 nan 8.300 nan 0.000 0.457 480 L N 2.863 123.888 121.223 -0.331 0.000 2.262 480 L HA 0.482 4.838 4.340 0.026 0.000 0.288 480 L C -0.466 176.181 176.870 -0.373 0.000 1.035 480 L CA -0.574 53.972 54.840 -0.491 0.000 0.820 480 L CB 0.757 42.183 42.059 -1.055 0.000 1.204 480 L HN 0.614 nan 8.230 nan 0.000 0.424 481 E N 2.433 122.537 120.200 -0.160 0.000 2.167 481 E HA 0.436 4.802 4.350 0.026 0.000 0.284 481 E C -0.277 176.287 176.600 -0.061 0.000 1.016 481 E CA -0.068 56.283 56.400 -0.081 0.000 0.817 481 E CB 1.980 31.702 29.700 0.036 0.000 1.080 481 E HN 0.536 nan 8.360 nan 0.000 0.397 482 T N 2.376 116.879 114.554 -0.086 0.000 2.754 482 T HA 0.613 4.979 4.350 0.026 0.000 0.296 482 T C -1.487 173.240 174.700 0.045 0.000 1.205 482 T CA -0.534 61.568 62.100 0.003 0.000 1.009 482 T CB 0.913 69.731 68.868 -0.085 0.000 1.368 482 T HN 0.323 nan 8.240 nan 0.000 0.509 483 I N 1.597 122.246 120.570 0.132 0.000 2.582 483 I HA 0.437 4.623 4.170 0.026 0.000 0.292 483 I C -0.269 175.920 176.117 0.121 0.000 1.066 483 I CA -0.827 60.533 61.300 0.100 0.000 1.053 483 I CB 2.268 40.322 38.000 0.091 0.000 1.241 483 I HN 0.464 nan 8.210 nan 0.000 0.421 484 S N 7.123 122.823 115.700 0.001 0.000 2.464 484 S HA 0.439 4.924 4.470 0.026 0.000 0.313 484 S C -2.400 172.145 174.600 -0.092 0.000 1.078 484 S CA -1.522 56.597 58.200 -0.136 0.000 1.096 484 S CB 0.187 63.322 63.200 -0.108 0.000 1.032 484 S HN 0.215 nan 8.310 nan 0.000 0.498 485 P HA 0.164 nan 4.420 nan 0.000 0.269 485 P C 0.346 177.612 177.300 -0.057 0.000 1.215 485 P CA -0.100 62.983 63.100 -0.027 0.000 0.780 485 P CB 0.317 32.035 31.700 0.029 0.000 0.898 486 G N 1.501 110.248 108.800 -0.087 0.000 2.414 486 G HA2 0.007 3.982 3.960 0.026 0.000 0.236 486 G HA3 0.007 3.982 3.960 0.026 0.000 0.236 486 G C -0.603 174.240 174.900 -0.094 0.000 1.293 486 G CA -0.200 44.778 45.100 -0.205 0.000 0.869 486 G HN 0.601 nan 8.290 nan 0.000 0.556 487 Y N -0.220 120.141 120.300 0.101 0.000 3.078 487 Y HA -0.257 4.310 4.550 0.028 0.000 0.202 487 Y C 1.272 177.288 175.900 0.193 0.000 1.322 487 Y CA 0.456 58.674 58.100 0.197 0.000 1.118 487 Y CB -1.915 36.527 38.460 -0.029 0.000 1.343 487 Y HN 0.895 nan 8.280 nan 0.000 0.499 488 S N -0.117 115.790 115.700 0.345 0.000 2.667 488 S HA 0.904 5.390 4.470 0.026 0.000 0.292 488 S C -0.767 173.973 174.600 0.233 0.000 1.126 488 S CA -0.878 57.491 58.200 0.282 0.000 0.881 488 S CB 3.346 66.581 63.200 0.058 0.000 1.132 488 S HN 0.446 nan 8.310 nan 0.000 0.492 489 I N 0.701 121.336 120.570 0.107 0.000 2.656 489 I HA 0.525 4.711 4.170 0.026 0.000 0.292 489 I C -1.603 174.418 176.117 -0.159 0.000 1.144 489 I CA -0.534 60.667 61.300 -0.166 0.000 1.038 489 I CB 1.791 39.522 38.000 -0.449 0.000 1.244 489 I HN 0.925 nan 8.210 nan 0.000 0.420 490 H N 4.223 123.142 119.070 -0.251 0.000 2.637 490 H HA 0.462 5.026 4.556 0.013 0.000 0.363 490 H C -1.044 174.176 175.328 -0.180 0.000 1.131 490 H CA -0.995 54.935 56.048 -0.198 0.000 1.183 490 H CB 2.335 31.977 29.762 -0.199 0.000 1.637 490 H HN 0.405 nan 8.280 nan 0.000 0.531 491 T N 2.922 117.478 114.554 0.002 0.000 2.779 491 T HA 0.243 4.609 4.350 0.026 0.000 0.280 491 T C -0.861 173.650 174.700 -0.316 0.000 0.987 491 T CA -0.619 61.411 62.100 -0.116 0.000 0.966 491 T CB 0.354 69.109 68.868 -0.188 0.000 0.933 491 T HN 0.297 nan 8.240 nan 0.000 0.442 492 Y N 2.543 122.883 120.300 0.066 0.000 2.342 492 Y HA 0.650 5.209 4.550 0.015 0.000 0.334 492 Y C -0.116 175.890 175.900 0.176 0.000 1.067 492 Y CA -1.060 57.142 58.100 0.171 0.000 1.128 492 Y CB 1.020 39.614 38.460 0.224 0.000 1.200 492 Y HN 0.407 nan 8.280 nan 0.000 0.464 493 L N 3.373 124.829 121.223 0.389 0.000 2.401 493 L HA 0.616 4.972 4.340 0.026 0.000 0.266 493 L C -1.324 175.844 176.870 0.497 0.000 0.991 493 L CA -0.571 54.403 54.840 0.222 0.000 0.818 493 L CB 1.710 43.825 42.059 0.094 0.000 1.321 493 L HN 0.783 nan 8.230 nan 0.000 0.413 494 W N 0.235 121.582 121.300 0.077 0.000 3.248 494 W HA 0.598 5.276 4.660 0.030 0.000 0.311 494 W C -1.289 175.244 176.519 0.024 0.000 1.258 494 W CA -0.815 56.611 57.345 0.134 0.000 1.191 494 W CB 0.334 29.890 29.460 0.160 0.000 1.389 494 W HN 0.327 nan 8.180 nan 0.000 0.561 495 H N 1.517 120.704 119.070 0.195 0.000 2.615 495 H HA 0.420 4.991 4.556 0.025 0.000 0.363 495 H C 1.035 176.458 175.328 0.158 0.000 1.148 495 H CA 0.104 56.184 56.048 0.052 0.000 1.401 495 H CB 1.448 31.217 29.762 0.012 0.000 1.461 495 H HN 0.467 nan 8.280 nan 0.000 0.588 496 R N 1.023 121.589 120.500 0.111 0.000 2.365 496 R HA 0.102 4.457 4.340 0.026 0.000 0.223 496 R C -0.238 176.124 176.300 0.104 0.000 0.899 496 R CA 0.100 56.274 56.100 0.123 0.000 1.059 496 R CB 0.563 30.872 30.300 0.015 0.000 1.086 496 R HN 0.761 nan 8.270 nan 0.000 0.522 497 Q N 0.000 119.866 119.800 0.110 0.000 2.315 497 Q HA 0.000 4.356 4.340 0.026 0.000 0.214 497 Q CA 0.000 55.851 55.803 0.080 0.000 1.022 497 Q CB 0.000 28.766 28.738 0.046 0.000 1.108 497 Q HN 0.000 nan 8.270 nan 0.000 0.481