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 2v3f_1_B DATA FIRST_RESID 1 DATA SEQUENCE ARPcIPKSFG YSSVVcVcNA TYcDSFXXXX XXALGTFSRY 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 0.000 177.593 177.584 0.015 0.000 1.274 1 A CA 0.000 52.050 52.037 0.022 0.000 0.836 1 A CB 0.000 19.015 19.000 0.025 0.000 0.831 2 R N 1.637 122.124 120.500 -0.021 0.000 2.352 2 R HA 0.418 4.756 4.340 -0.003 0.000 0.304 2 R C -2.973 173.326 176.300 -0.001 0.000 1.104 2 R CA -1.608 54.474 56.100 -0.031 0.000 0.991 2 R CB 1.967 32.117 30.300 -0.250 0.000 1.140 2 R HN 0.253 nan 8.270 nan 0.000 0.540 3 P HA 0.020 nan 4.420 nan 0.000 0.274 3 P C 0.256 177.620 177.300 0.106 0.000 1.246 3 P CA -0.608 62.524 63.100 0.054 0.000 0.795 3 P CB 0.758 32.483 31.700 0.042 0.000 1.006 4 c N 2.534 121.152 118.600 0.030 0.000 2.538 4 c HA 0.062 4.630 4.570 -0.003 0.000 0.408 4 c C 0.631 174.744 174.090 0.038 0.000 1.421 4 c CA -0.290 56.059 56.329 0.032 0.000 1.642 4 c CB -1.913 40.564 42.510 -0.055 0.000 2.553 4 c HN 0.245 nan 8.230 nan 0.000 0.604 5 I N 9.426 130.023 120.570 0.045 0.000 2.281 5 I HA 0.290 4.458 4.170 -0.003 0.000 0.293 5 I C -1.652 174.459 176.117 -0.010 0.000 1.085 5 I CA -2.600 58.678 61.300 -0.038 0.000 1.257 5 I CB 0.482 38.408 38.000 -0.123 0.000 1.430 5 I HN 0.575 nan 8.210 nan 0.000 0.489 6 P HA 0.308 nan 4.420 nan 0.000 0.285 6 P C -0.697 176.591 177.300 -0.020 0.000 1.259 6 P CA -0.587 62.507 63.100 -0.009 0.000 0.794 6 P CB 1.722 33.405 31.700 -0.029 0.000 0.940 7 K N 1.432 121.833 120.400 0.002 0.000 2.513 7 K HA 0.404 4.722 4.320 -0.003 0.000 0.251 7 K C -0.909 175.650 176.600 -0.069 0.000 0.939 7 K CA -0.561 55.678 56.287 -0.081 0.000 0.793 7 K CB 1.720 34.157 32.500 -0.106 0.000 1.241 7 K HN 0.360 nan 8.250 nan 0.000 0.431 8 S N 3.130 118.736 115.700 -0.158 0.000 2.541 8 S HA 0.453 4.921 4.470 -0.003 0.000 0.283 8 S C -0.297 174.136 174.600 -0.278 0.000 1.196 8 S CA -0.488 57.658 58.200 -0.090 0.000 1.062 8 S CB 0.330 63.484 63.200 -0.076 0.000 1.009 8 S HN 0.548 nan 8.310 nan 0.000 0.502 9 F N 2.401 122.336 119.950 -0.025 0.000 2.683 9 F HA 0.397 4.922 4.527 -0.003 0.000 0.306 9 F C 1.669 177.371 175.800 -0.162 0.000 1.102 9 F CA 0.156 58.133 58.000 -0.039 0.000 1.244 9 F CB 0.742 39.771 39.000 0.048 0.000 1.029 9 F HN 0.902 nan 8.300 nan 0.000 0.545 10 G N -0.788 107.963 108.800 -0.082 0.000 2.159 10 G HA2 -0.282 3.676 3.960 -0.003 0.000 0.227 10 G HA3 -0.282 3.676 3.960 -0.003 0.000 0.227 10 G C -0.041 174.624 174.900 -0.391 0.000 0.986 10 G CA -0.403 44.535 45.100 -0.269 0.000 0.651 10 G HN 0.333 nan 8.290 nan 0.000 0.523 11 Y N 0.460 120.807 120.300 0.078 0.000 2.612 11 Y HA 0.496 5.044 4.550 -0.003 0.000 0.334 11 Y C 2.165 178.101 175.900 0.061 0.000 1.227 11 Y CA 0.084 58.226 58.100 0.070 0.000 1.356 11 Y CB 0.657 39.166 38.460 0.082 0.000 1.534 11 Y HN 0.196 nan 8.280 nan 0.000 0.576 12 S N -1.393 114.453 115.700 0.244 0.000 2.474 12 S HA 0.008 4.476 4.470 -0.003 0.000 0.235 12 S C 0.683 175.346 174.600 0.105 0.000 0.997 12 S CA 0.886 59.166 58.200 0.133 0.000 0.949 12 S CB -0.113 63.159 63.200 0.119 0.000 0.766 12 S HN 0.455 nan 8.310 nan 0.000 0.517 13 S N -0.526 115.279 115.700 0.175 0.000 2.903 13 S HA 0.690 5.158 4.470 -0.003 0.000 0.314 13 S C -0.931 173.763 174.600 0.157 0.000 1.177 13 S CA -0.249 58.028 58.200 0.128 0.000 0.859 13 S CB 1.057 64.374 63.200 0.196 0.000 1.265 13 S HN 0.704 nan 8.310 nan 0.000 0.584 14 V N 1.026 121.020 119.914 0.133 0.000 2.834 14 V HA 0.926 5.044 4.120 -0.003 0.000 0.313 14 V C 0.261 176.465 176.094 0.182 0.000 1.060 14 V CA -0.537 61.839 62.300 0.126 0.000 0.989 14 V CB 0.927 32.780 31.823 0.050 0.000 1.041 14 V HN 0.868 nan 8.190 nan 0.000 0.459 15 V N -0.268 119.763 119.914 0.196 0.000 3.109 15 V HA 0.668 4.786 4.120 -0.003 0.000 0.317 15 V C 0.088 176.292 176.094 0.183 0.000 1.074 15 V CA -0.518 61.912 62.300 0.217 0.000 1.033 15 V CB 1.240 33.191 31.823 0.215 0.000 1.111 15 V HN 1.075 nan 8.190 nan 0.000 0.458 16 c N 2.221 120.945 118.600 0.206 0.000 2.281 16 c HA 0.696 5.265 4.570 -0.003 0.000 0.325 16 c C 0.195 174.351 174.090 0.110 0.000 1.282 16 c CA -0.598 55.814 56.329 0.137 0.000 1.640 16 c CB 0.258 42.860 42.510 0.153 0.000 2.288 16 c HN 0.760 nan 8.230 nan 0.000 0.507 17 V N 3.053 123.017 119.914 0.084 0.000 2.439 17 V HA 0.441 4.559 4.120 -0.003 0.000 0.282 17 V C 0.179 176.170 176.094 -0.171 0.000 1.039 17 V CA -0.165 62.162 62.300 0.045 0.000 0.913 17 V CB 0.838 32.740 31.823 0.131 0.000 0.983 17 V HN 1.059 nan 8.190 nan 0.000 0.460 18 c N 5.037 123.326 118.600 -0.518 0.000 2.707 18 c HA 0.834 5.402 4.570 -0.003 0.000 0.313 18 c C 0.156 173.897 174.090 -0.582 0.000 1.209 18 c CA -0.683 55.235 56.329 -0.684 0.000 1.635 18 c CB 1.625 43.262 42.510 -1.455 0.000 2.206 18 c HN 1.095 nan 8.230 nan 0.000 0.485 19 N N 0.286 118.837 118.700 -0.249 0.000 3.574 19 N HA 0.510 5.248 4.740 -0.003 0.000 0.340 19 N C 0.337 175.872 175.510 0.041 0.000 1.650 19 N CA -0.071 52.935 53.050 -0.075 0.000 0.762 19 N CB 0.046 38.506 38.487 -0.046 0.000 2.206 19 N HN 0.499 nan 8.380 nan 0.000 0.621 20 A N -1.116 121.736 122.820 0.053 0.000 2.067 20 A HA 0.004 4.322 4.320 -0.003 0.000 0.219 20 A C 1.475 179.095 177.584 0.060 0.000 1.158 20 A CA 2.446 54.522 52.037 0.066 0.000 0.661 20 A CB -1.217 17.812 19.000 0.048 0.000 0.801 20 A HN 0.882 nan 8.150 nan 0.000 0.452 21 T N -6.377 108.215 114.554 0.064 0.000 3.004 21 T HA 0.355 4.703 4.350 -0.003 0.000 0.266 21 T C -0.111 174.653 174.700 0.106 0.000 0.986 21 T CA -0.121 62.021 62.100 0.071 0.000 0.902 21 T CB -0.111 68.798 68.868 0.068 0.000 1.118 21 T HN 0.271 nan 8.240 nan 0.000 0.522 22 Y N 0.250 120.525 120.300 -0.041 0.000 2.433 22 Y HA 0.603 5.151 4.550 -0.003 0.000 0.337 22 Y C -1.445 174.392 175.900 -0.105 0.000 1.026 22 Y CA -1.435 56.628 58.100 -0.061 0.000 1.037 22 Y CB 1.905 40.324 38.460 -0.068 0.000 1.245 22 Y HN 0.321 nan 8.280 nan 0.000 0.443 23 c N 6.604 124.908 118.600 -0.493 0.000 3.082 23 c HA 0.384 4.952 4.570 -0.003 0.000 0.324 23 c C -1.305 172.507 174.090 -0.463 0.000 1.210 23 c CA -0.825 55.311 56.329 -0.322 0.000 1.366 23 c CB 0.829 43.244 42.510 -0.158 0.000 1.756 23 c HN 0.940 nan 8.230 nan 0.000 0.485 24 D N 2.901 123.170 120.400 -0.218 0.000 2.423 24 D HA 0.399 5.037 4.640 -0.003 0.000 0.238 24 D C -0.109 176.069 176.300 -0.203 0.000 1.142 24 D CA 0.404 54.300 54.000 -0.172 0.000 0.884 24 D CB 1.164 41.947 40.800 -0.029 0.000 1.199 24 D HN 0.827 nan 8.370 nan 0.000 0.438 25 S N -0.068 115.490 115.700 -0.236 0.000 2.656 25 S HA 0.636 5.104 4.470 -0.003 0.000 0.273 25 S C -0.843 173.565 174.600 -0.320 0.000 1.168 25 S CA -0.997 57.069 58.200 -0.224 0.000 0.817 25 S CB 0.733 63.879 63.200 -0.090 0.000 1.146 25 S HN 0.345 nan 8.310 nan 0.000 0.475 34 L N 0.581 121.860 121.223 0.093 0.000 2.334 34 L HA 0.598 4.936 4.340 -0.003 0.000 0.275 34 L C 1.311 178.232 176.870 0.086 0.000 1.036 34 L CA 1.384 56.291 54.840 0.110 0.000 0.807 34 L CB 0.933 43.036 42.059 0.074 0.000 1.231 34 L HN 2.165 nan 8.230 nan 0.000 0.438 35 G N 2.067 110.930 108.800 0.105 0.000 2.175 35 G HA2 -0.283 3.675 3.960 -0.003 0.000 0.265 35 G HA3 -0.283 3.675 3.960 -0.003 0.000 0.265 35 G C 0.261 175.208 174.900 0.078 0.000 0.979 35 G CA 0.770 45.921 45.100 0.084 0.000 0.663 35 G HN 0.990 nan 8.290 nan 0.000 0.533 36 T N -1.596 113.011 114.554 0.088 0.000 2.930 36 T HA 0.799 5.147 4.350 -0.003 0.000 0.290 36 T C -0.232 174.551 174.700 0.138 0.000 1.052 36 T CA -0.468 61.650 62.100 0.029 0.000 1.017 36 T CB 2.369 71.195 68.868 -0.071 0.000 1.137 36 T HN 1.355 nan 8.240 nan 0.000 0.511 37 F N -0.552 119.427 119.950 0.048 0.000 2.538 37 F HA 0.858 5.383 4.527 -0.003 0.000 0.325 37 F C -0.344 175.494 175.800 0.063 0.000 1.066 37 F CA -1.149 56.916 58.000 0.108 0.000 0.946 37 F CB 1.371 40.436 39.000 0.109 0.000 1.199 37 F HN 0.555 nan 8.300 nan 0.000 0.473 38 S N 1.736 117.573 115.700 0.227 0.000 2.578 38 S HA 0.563 5.032 4.470 -0.003 0.000 0.283 38 S C -0.746 173.923 174.600 0.115 0.000 1.195 38 S CA -0.842 57.373 58.200 0.025 0.000 1.050 38 S CB 1.213 64.394 63.200 -0.031 0.000 1.012 38 S HN 0.734 nan 8.310 nan 0.000 0.511 39 R N 2.006 122.406 120.500 -0.168 0.000 2.532 39 R HA 0.378 4.716 4.340 -0.003 0.000 0.297 39 R C -2.033 173.963 176.300 -0.507 0.000 0.984 39 R CA -0.444 55.448 56.100 -0.347 0.000 0.884 39 R CB 0.804 30.943 30.300 -0.268 0.000 1.182 39 R HN 0.645 nan 8.270 nan 0.000 0.442 40 Y N 1.892 121.967 120.300 -0.375 0.000 2.341 40 Y HA 0.296 4.844 4.550 -0.003 0.000 0.337 40 Y C 0.000 175.869 175.900 -0.052 0.000 1.014 40 Y CA -0.428 57.561 58.100 -0.185 0.000 1.111 40 Y CB 1.900 40.228 38.460 -0.220 0.000 1.194 40 Y HN 0.545 nan 8.280 nan 0.000 0.462 41 E N 1.915 122.201 120.200 0.144 0.000 2.234 41 E HA 0.639 4.987 4.350 -0.003 0.000 0.266 41 E C -1.484 175.312 176.600 0.327 0.000 0.877 41 E CA -0.567 55.931 56.400 0.165 0.000 0.758 41 E CB 1.188 30.845 29.700 -0.072 0.000 1.170 41 E HN 0.584 nan 8.360 nan 0.000 0.415 42 S N 2.111 118.047 115.700 0.393 0.000 2.526 42 S HA 0.617 5.085 4.470 -0.003 0.000 0.293 42 S C -0.843 173.969 174.600 0.353 0.000 1.092 42 S CA -0.771 57.657 58.200 0.381 0.000 0.980 42 S CB 1.787 65.305 63.200 0.529 0.000 1.048 42 S HN 0.656 nan 8.310 nan 0.000 0.483 43 T N -1.106 113.508 114.554 0.100 0.000 2.896 43 T HA 0.506 4.854 4.350 -0.003 0.000 0.297 43 T C 0.708 174.782 174.700 -1.044 0.000 1.108 43 T CA -0.984 60.956 62.100 -0.266 0.000 1.004 43 T CB 1.744 70.532 68.868 -0.133 0.000 1.159 43 T HN 0.458 nan 8.240 nan 0.000 0.499 44 R N 0.765 120.352 120.500 -1.522 0.000 2.105 44 R HA -0.112 4.226 4.340 -0.003 0.000 0.239 44 R C 2.340 178.276 176.300 -0.607 0.000 1.135 44 R CA 2.045 57.233 56.100 -1.521 0.000 0.967 44 R CB -0.576 29.034 30.300 -1.150 0.000 0.861 44 R HN 0.812 nan 8.270 nan 0.000 0.442 45 S N -1.638 113.830 115.700 -0.386 0.000 2.507 45 S HA 0.028 4.496 4.470 -0.003 0.000 0.235 45 S C 1.267 175.771 174.600 -0.160 0.000 0.988 45 S CA 0.898 58.979 58.200 -0.199 0.000 0.944 45 S CB 0.427 63.551 63.200 -0.127 0.000 0.762 45 S HN 0.598 nan 8.310 nan 0.000 0.526 46 G N 0.385 109.068 108.800 -0.195 0.000 2.227 46 G HA2 -0.135 3.823 3.960 -0.003 0.000 0.168 46 G HA3 -0.135 3.823 3.960 -0.003 0.000 0.168 46 G C -0.000 174.848 174.900 -0.087 0.000 1.006 46 G CA -0.595 44.435 45.100 -0.118 0.000 0.684 46 G HN 0.496 nan 8.290 nan 0.000 0.489 47 R N 0.607 121.064 120.500 -0.072 0.000 2.491 47 R HA 0.518 4.856 4.340 -0.003 0.000 0.283 47 R C -0.142 176.160 176.300 0.005 0.000 1.072 47 R CA 0.006 56.093 56.100 -0.020 0.000 1.048 47 R CB 0.404 30.714 30.300 0.016 0.000 0.983 47 R HN 0.001 nan 8.270 nan 0.000 0.450 48 R N 4.046 124.532 120.500 -0.023 0.000 2.472 48 R HA 0.175 4.514 4.340 -0.003 0.000 0.294 48 R C -0.104 176.250 176.300 0.091 0.000 1.243 48 R CA -0.508 55.535 56.100 -0.094 0.000 1.023 48 R CB 1.094 31.111 30.300 -0.472 0.000 1.157 48 R HN 0.811 nan 8.270 nan 0.000 0.530 49 M N 0.551 120.324 119.600 0.288 0.000 2.253 49 M HA -0.248 4.230 4.480 -0.003 0.000 0.199 49 M C -0.434 176.106 176.300 0.400 0.000 0.342 49 M CA 1.244 56.785 55.300 0.401 0.000 0.417 49 M CB -1.165 31.739 32.600 0.507 0.000 1.338 49 M HN 0.432 nan 8.290 nan 0.000 0.920 50 E N 0.880 121.203 120.200 0.206 0.000 2.360 50 E HA 0.335 4.683 4.350 -0.003 0.000 0.269 50 E C -0.316 176.249 176.600 -0.059 0.000 1.022 50 E CA -0.444 56.004 56.400 0.080 0.000 0.887 50 E CB 1.004 30.715 29.700 0.018 0.000 0.990 50 E HN 0.290 nan 8.360 nan 0.000 0.426 51 L N 2.988 124.117 121.223 -0.156 0.000 2.289 51 L HA 0.310 4.648 4.340 -0.003 0.000 0.285 51 L C -0.476 176.220 176.870 -0.290 0.000 1.049 51 L CA 0.250 54.818 54.840 -0.454 0.000 0.804 51 L CB 1.098 42.883 42.059 -0.456 0.000 1.195 51 L HN 0.574 nan 8.230 nan 0.000 0.428 52 S N 4.205 119.707 115.700 -0.331 0.000 2.720 52 S HA 0.874 5.342 4.470 -0.003 0.000 0.287 52 S C -0.696 173.737 174.600 -0.278 0.000 1.168 52 S CA -1.027 57.032 58.200 -0.236 0.000 0.832 52 S CB 1.540 64.636 63.200 -0.172 0.000 1.166 52 S HN 0.617 nan 8.310 nan 0.000 0.493 53 M N -0.064 119.364 119.600 -0.288 0.000 2.575 53 M HA 0.731 5.209 4.480 -0.003 0.000 0.284 53 M C -0.262 175.688 176.300 -0.583 0.000 1.253 53 M CA -0.331 54.705 55.300 -0.441 0.000 0.861 53 M CB 2.856 35.274 32.600 -0.304 0.000 1.733 53 M HN 1.110 nan 8.290 nan 0.000 0.462 54 G N 0.898 109.021 108.800 -1.128 0.000 2.695 54 G HA2 0.840 4.798 3.960 -0.003 0.000 0.290 54 G HA3 0.840 4.798 3.960 -0.003 0.000 0.290 54 G C -3.384 171.119 174.900 -0.662 0.000 1.410 54 G CA -1.131 43.417 45.100 -0.920 0.000 0.844 54 G HN 0.343 nan 8.290 nan 0.000 0.478 55 P HA 0.470 nan 4.420 nan 0.000 0.286 55 P C -0.502 176.930 177.300 0.219 0.000 1.261 55 P CA -0.441 62.678 63.100 0.031 0.000 0.821 55 P CB 1.791 33.510 31.700 0.031 0.000 1.013 56 I N 3.009 123.674 120.570 0.159 0.000 2.342 56 I HA 0.153 4.321 4.170 -0.003 0.000 0.291 56 I C 0.982 177.150 176.117 0.085 0.000 1.010 56 I CA -0.440 60.920 61.300 0.100 0.000 1.308 56 I CB 0.652 38.665 38.000 0.021 0.000 1.400 56 I HN 0.156 nan 8.210 nan 0.000 0.488 57 Q N 5.135 125.000 119.800 0.107 0.000 2.214 57 Q HA 0.427 4.765 4.340 -0.003 0.000 0.251 57 Q C 0.703 176.820 176.000 0.194 0.000 0.936 57 Q CA -0.560 55.316 55.803 0.120 0.000 0.894 57 Q CB 1.624 30.417 28.738 0.092 0.000 1.252 57 Q HN 0.791 nan 8.270 nan 0.000 0.448 58 A N 2.721 125.629 122.820 0.146 0.000 1.930 58 A HA -0.089 4.229 4.320 -0.003 0.000 0.217 58 A C 0.628 178.366 177.584 0.258 0.000 1.175 58 A CA 1.097 53.242 52.037 0.179 0.000 0.627 58 A CB 0.062 19.120 19.000 0.098 0.000 0.815 58 A HN 0.716 nan 8.150 nan 0.000 0.443 59 N N -1.706 117.034 118.700 0.066 0.000 2.328 59 N HA 0.497 5.235 4.740 -0.003 0.000 0.299 59 N C -1.501 173.704 175.510 -0.509 0.000 1.179 59 N CA -0.368 52.585 53.050 -0.161 0.000 0.793 59 N CB 1.647 40.076 38.487 -0.096 0.000 1.366 59 N HN 0.449 nan 8.380 nan 0.000 0.493 60 H N -0.773 117.777 119.070 -0.867 0.000 2.947 60 H HA 0.445 4.999 4.556 -0.003 0.000 0.354 60 H C -1.600 173.475 175.328 -0.422 0.000 1.085 60 H CA -0.203 55.378 56.048 -0.779 0.000 1.253 60 H CB 1.190 30.145 29.762 -1.345 0.000 1.757 60 H HN 0.351 nan 8.280 nan 0.000 0.523 61 T N 3.313 117.362 114.554 -0.841 0.000 2.876 61 T HA 0.771 5.119 4.350 -0.003 0.000 0.289 61 T C -0.193 174.074 174.700 -0.723 0.000 1.014 61 T CA -0.157 61.549 62.100 -0.656 0.000 0.986 61 T CB 1.558 70.235 68.868 -0.318 0.000 1.021 61 T HN 1.103 nan 8.240 nan 0.000 0.458 62 G N 0.679 109.210 108.800 -0.449 0.000 2.359 62 G HA2 0.287 4.245 3.960 -0.003 0.000 0.314 62 G HA3 0.287 4.245 3.960 -0.003 0.000 0.314 62 G C 0.206 175.060 174.900 -0.078 0.000 1.364 62 G CA -0.038 44.928 45.100 -0.223 0.000 0.978 62 G HN 0.918 nan 8.290 nan 0.000 0.615 63 T N -1.646 112.895 114.554 -0.022 0.000 3.069 63 T HA 0.524 4.872 4.350 -0.003 0.000 0.252 63 T C 1.373 176.097 174.700 0.041 0.000 1.053 63 T CA 1.183 63.291 62.100 0.013 0.000 0.964 63 T CB 0.323 69.192 68.868 0.000 0.000 1.005 63 T HN 1.605 nan 8.240 nan 0.000 0.532 64 G N 1.695 110.533 108.800 0.064 0.000 2.653 64 G HA2 0.462 4.420 3.960 -0.003 0.000 0.265 64 G HA3 0.462 4.420 3.960 -0.003 0.000 0.265 64 G C -0.257 174.678 174.900 0.057 0.000 1.237 64 G CA -0.866 44.269 45.100 0.058 0.000 0.946 64 G HN 0.479 nan 8.290 nan 0.000 0.522 65 L N -0.496 120.744 121.223 0.028 0.000 2.499 65 L HA 0.460 4.798 4.340 -0.003 0.000 0.273 65 L C -0.328 176.535 176.870 -0.011 0.000 1.195 65 L CA -0.061 54.786 54.840 0.011 0.000 0.882 65 L CB 0.719 42.778 42.059 -0.001 0.000 1.133 65 L HN 0.359 nan 8.230 nan 0.000 0.483 66 L N 6.060 127.275 121.223 -0.013 0.000 2.385 66 L HA 0.589 4.927 4.340 -0.003 0.000 0.273 66 L C -1.510 175.336 176.870 -0.039 0.000 0.990 66 L CA -0.287 54.524 54.840 -0.049 0.000 0.821 66 L CB 1.685 43.735 42.059 -0.016 0.000 1.279 66 L HN 0.561 nan 8.230 nan 0.000 0.412 67 L N 4.738 125.920 121.223 -0.069 0.000 2.298 67 L HA 0.551 4.889 4.340 -0.003 0.000 0.284 67 L C -0.461 176.374 176.870 -0.058 0.000 1.013 67 L CA -0.426 54.385 54.840 -0.050 0.000 0.824 67 L CB 1.770 43.797 42.059 -0.054 0.000 1.221 67 L HN 0.589 nan 8.230 nan 0.000 0.418 68 T N 3.982 118.518 114.554 -0.030 0.000 2.758 68 T HA 0.464 4.812 4.350 -0.003 0.000 0.285 68 T C -0.011 174.686 174.700 -0.004 0.000 0.981 68 T CA -0.512 61.567 62.100 -0.036 0.000 0.965 68 T CB 1.366 70.221 68.868 -0.022 0.000 0.927 68 T HN 0.164 nan 8.240 nan 0.000 0.448 69 L N 3.540 124.767 121.223 0.007 0.000 2.456 69 L HA 0.205 4.543 4.340 -0.003 0.000 0.272 69 L C 0.799 177.691 176.870 0.037 0.000 1.189 69 L CA 0.566 55.435 54.840 0.048 0.000 0.846 69 L CB 0.411 42.530 42.059 0.099 0.000 1.111 69 L HN 0.603 nan 8.230 nan 0.000 0.475 70 Q N 4.924 124.757 119.800 0.055 0.000 2.700 70 Q HA 0.245 4.583 4.340 -0.003 0.000 0.249 70 Q C -1.848 174.182 176.000 0.050 0.000 1.033 70 Q CA -1.589 54.244 55.803 0.051 0.000 0.804 70 Q CB 1.086 29.863 28.738 0.065 0.000 1.164 70 Q HN 0.413 nan 8.270 nan 0.000 0.500 71 P HA -0.203 nan 4.420 nan 0.000 0.226 71 P C 1.104 178.411 177.300 0.010 0.000 1.153 71 P CA 1.098 64.216 63.100 0.030 0.000 0.777 71 P CB 0.341 32.059 31.700 0.030 0.000 0.794 72 E N -0.500 119.700 120.200 0.001 0.000 2.385 72 E HA -0.067 4.281 4.350 -0.003 0.000 0.194 72 E C 0.263 176.826 176.600 -0.061 0.000 1.013 72 E CA 0.626 57.013 56.400 -0.021 0.000 0.866 72 E CB -0.500 29.192 29.700 -0.013 0.000 0.832 72 E HN 0.211 nan 8.360 nan 0.000 0.500 73 Q N 1.954 121.716 119.800 -0.064 0.000 2.323 73 Q HA 0.210 4.548 4.340 -0.003 0.000 0.257 73 Q C -0.432 175.384 176.000 -0.305 0.000 1.022 73 Q CA 0.192 55.884 55.803 -0.184 0.000 0.919 73 Q CB 1.049 29.752 28.738 -0.058 0.000 1.220 73 Q HN 0.048 nan 8.270 nan 0.000 0.427 74 K N 3.361 123.489 120.400 -0.453 0.000 2.244 74 K HA 0.496 4.814 4.320 -0.003 0.000 0.260 74 K C -0.249 176.035 176.600 -0.526 0.000 0.951 74 K CA -0.340 55.757 56.287 -0.316 0.000 0.826 74 K CB 1.166 33.581 32.500 -0.142 0.000 1.108 74 K HN 0.274 nan 8.250 nan 0.000 0.433 75 F N 0.455 120.425 119.950 0.034 0.000 3.114 75 F HA 0.187 4.712 4.527 -0.003 0.000 0.195 75 F C 1.111 176.945 175.800 0.057 0.000 1.540 75 F CA -0.577 57.455 58.000 0.053 0.000 0.910 75 F CB -0.099 38.907 39.000 0.009 0.000 1.972 75 F HN 0.319 nan 8.300 nan 0.000 0.385 76 Q N 2.152 122.116 119.800 0.274 0.000 2.306 76 Q HA 0.271 4.609 4.340 -0.003 0.000 0.241 76 Q C -1.304 174.768 176.000 0.121 0.000 0.948 76 Q CA -0.324 55.581 55.803 0.170 0.000 0.886 76 Q CB 1.187 30.014 28.738 0.147 0.000 1.227 76 Q HN 0.451 nan 8.270 nan 0.000 0.457 77 K N 1.195 121.652 120.400 0.095 0.000 2.174 77 K HA 0.379 4.697 4.320 -0.003 0.000 0.275 77 K C -0.539 176.093 176.600 0.053 0.000 1.015 77 K CA -0.727 55.599 56.287 0.066 0.000 0.933 77 K CB 1.623 34.155 32.500 0.053 0.000 1.025 77 K HN 0.422 nan 8.250 nan 0.000 0.463 78 V N 3.573 123.507 119.914 0.033 0.000 2.583 78 V HA 0.006 4.124 4.120 -0.003 0.000 0.287 78 V C 1.259 177.329 176.094 -0.040 0.000 1.051 78 V CA -0.015 62.285 62.300 0.001 0.000 1.010 78 V CB 1.268 33.113 31.823 0.037 0.000 0.988 78 V HN 0.750 nan 8.190 nan 0.000 0.478 79 K N 3.457 123.812 120.400 -0.074 0.000 2.044 79 K HA 0.376 4.694 4.320 -0.003 0.000 0.204 79 K C 0.667 177.141 176.600 -0.211 0.000 1.045 79 K CA 1.453 57.644 56.287 -0.159 0.000 0.951 79 K CB -0.081 32.318 32.500 -0.168 0.000 0.738 79 K HN 1.004 nan 8.250 nan 0.000 0.443 80 G N -2.053 106.589 108.800 -0.264 0.000 2.352 80 G HA2 0.277 4.235 3.960 -0.003 0.000 0.283 80 G HA3 0.277 4.235 3.960 -0.003 0.000 0.283 80 G C -1.541 173.009 174.900 -0.583 0.000 1.308 80 G CA -0.828 44.111 45.100 -0.269 0.000 0.892 80 G HN 0.026 nan 8.290 nan 0.000 0.504 81 F N -0.335 119.574 119.950 -0.068 0.000 2.599 81 F HA 0.882 5.408 4.527 -0.003 0.000 0.311 81 F C 0.807 176.345 175.800 -0.437 0.000 1.076 81 F CA 0.443 58.338 58.000 -0.176 0.000 0.937 81 F CB 2.329 41.251 39.000 -0.131 0.000 1.282 81 F HN 1.309 nan 8.300 nan 0.000 0.460 82 G N -0.258 108.221 108.800 -0.534 0.000 2.393 82 G HA2 0.571 4.529 3.960 -0.003 0.000 0.264 82 G HA3 0.571 4.529 3.960 -0.003 0.000 0.264 82 G C -1.233 173.239 174.900 -0.714 0.000 1.221 82 G CA 0.019 44.456 45.100 -1.105 0.000 0.912 82 G HN 1.147 nan 8.290 nan 0.000 0.483 83 G N -1.623 106.987 108.800 -0.317 0.000 2.663 83 G HA2 0.787 4.745 3.960 -0.003 0.000 0.299 83 G HA3 0.787 4.745 3.960 -0.003 0.000 0.299 83 G C -1.215 173.705 174.900 0.034 0.000 1.372 83 G CA 0.504 45.546 45.100 -0.097 0.000 0.781 83 G HN 1.814 nan 8.290 nan 0.000 0.491 84 A N -0.336 122.511 122.820 0.045 0.000 2.304 84 A HA 0.649 4.967 4.320 -0.003 0.000 0.323 84 A C -0.209 177.361 177.584 -0.024 0.000 1.195 84 A CA -0.624 51.462 52.037 0.083 0.000 0.826 84 A CB 1.360 20.472 19.000 0.187 0.000 1.184 84 A HN 0.742 nan 8.150 nan 0.000 0.496 85 M N 3.918 123.550 119.600 0.053 0.000 3.396 85 M HA 0.197 4.675 4.480 -0.003 0.000 0.255 85 M C 0.720 177.018 176.300 -0.003 0.000 1.398 85 M CA -0.108 55.212 55.300 0.033 0.000 1.554 85 M CB -0.867 31.791 32.600 0.096 0.000 1.070 85 M HN 0.770 nan 8.290 nan 0.000 0.587 86 T N -1.501 112.960 114.554 -0.154 0.000 2.766 86 T HA 0.190 4.538 4.350 -0.003 0.000 0.295 86 T C 0.882 175.548 174.700 -0.056 0.000 1.024 86 T CA -0.587 61.404 62.100 -0.182 0.000 1.018 86 T CB 0.647 69.235 68.868 -0.467 0.000 1.002 86 T HN 0.485 nan 8.240 nan 0.000 0.532 87 D N 1.090 121.493 120.400 0.004 0.000 2.116 87 D HA -0.138 4.500 4.640 -0.003 0.000 0.193 87 D C 2.383 178.709 176.300 0.044 0.000 0.998 87 D CA 1.900 55.937 54.000 0.061 0.000 0.836 87 D CB -0.935 39.935 40.800 0.116 0.000 0.951 87 D HN 0.753 nan 8.370 nan 0.000 0.449 88 A N 1.023 123.872 122.820 0.048 0.000 1.908 88 A HA -0.092 4.226 4.320 -0.003 0.000 0.218 88 A C 2.340 179.926 177.584 0.002 0.000 1.181 88 A CA 2.561 54.641 52.037 0.072 0.000 0.627 88 A CB -0.787 18.335 19.000 0.204 0.000 0.818 88 A HN 0.262 nan 8.150 nan 0.000 0.445 89 A N -0.291 122.484 122.820 -0.074 0.000 1.898 89 A HA 0.196 4.514 4.320 -0.003 0.000 0.216 89 A C 2.516 180.090 177.584 -0.017 0.000 1.181 89 A CA 2.043 54.038 52.037 -0.070 0.000 0.620 89 A CB -1.021 17.909 19.000 -0.118 0.000 0.819 89 A HN 1.053 nan 8.150 nan 0.000 0.442 90 A N -0.162 122.656 122.820 -0.003 0.000 1.877 90 A HA -0.063 4.256 4.320 -0.003 0.000 0.216 90 A C 2.171 179.763 177.584 0.014 0.000 1.186 90 A CA 1.552 53.599 52.037 0.016 0.000 0.620 90 A CB -0.679 18.340 19.000 0.031 0.000 0.822 90 A HN 0.463 nan 8.150 nan 0.000 0.443 91 L N -0.169 121.067 121.223 0.021 0.000 2.046 91 L HA -0.223 4.115 4.340 -0.003 0.000 0.208 91 L C 2.467 179.346 176.870 0.014 0.000 1.077 91 L CA 1.290 56.144 54.840 0.023 0.000 0.747 91 L CB -0.612 41.470 42.059 0.038 0.000 0.896 91 L HN 0.418 nan 8.230 nan 0.000 0.432 92 N N 0.273 118.979 118.700 0.010 0.000 2.080 92 N HA -0.135 4.603 4.740 -0.003 0.000 0.189 92 N C 1.961 177.459 175.510 -0.021 0.000 1.036 92 N CA 1.492 54.541 53.050 -0.001 0.000 0.846 92 N CB -0.175 38.312 38.487 -0.000 0.000 1.015 92 N HN 0.291 nan 8.380 nan 0.000 0.423 93 I N 1.425 121.977 120.570 -0.029 0.000 2.163 93 I HA -0.250 3.918 4.170 -0.003 0.000 0.243 93 I C 1.930 178.025 176.117 -0.036 0.000 1.085 93 I CA 1.017 62.285 61.300 -0.054 0.000 1.347 93 I CB -0.266 37.714 38.000 -0.033 0.000 1.044 93 I HN 0.054 nan 8.210 nan 0.000 0.408 94 L N 0.441 121.656 121.223 -0.013 0.000 2.549 94 L HA -0.078 4.260 4.340 -0.003 0.000 0.229 94 L C 2.487 179.356 176.870 -0.002 0.000 1.158 94 L CA 0.436 55.273 54.840 -0.005 0.000 0.842 94 L CB -0.534 41.527 42.059 0.003 0.000 0.952 94 L HN 0.236 nan 8.230 nan 0.000 0.452 95 A N -0.350 122.468 122.820 -0.003 0.000 2.119 95 A HA 0.123 4.441 4.320 -0.003 0.000 0.216 95 A C 1.176 178.763 177.584 0.005 0.000 1.152 95 A CA 0.249 52.288 52.037 0.003 0.000 0.708 95 A CB -0.128 18.876 19.000 0.006 0.000 0.805 95 A HN 0.247 nan 8.150 nan 0.000 0.460 96 L N 0.793 122.015 121.223 -0.002 0.000 2.456 96 L HA 0.230 4.568 4.340 -0.003 0.000 0.257 96 L C 1.072 177.950 176.870 0.014 0.000 1.162 96 L CA -0.477 54.370 54.840 0.011 0.000 0.808 96 L CB 0.997 43.056 42.059 0.000 0.000 1.136 96 L HN 0.374 nan 8.230 nan 0.000 0.466 97 S N 0.425 116.141 115.700 0.026 0.000 2.579 97 S HA 0.157 4.625 4.470 -0.003 0.000 0.275 97 S C -1.947 172.666 174.600 0.022 0.000 1.345 97 S CA -1.057 57.157 58.200 0.023 0.000 1.031 97 S CB 0.849 64.066 63.200 0.028 0.000 0.892 97 S HN 0.398 nan 8.310 nan 0.000 0.529 98 P HA -0.052 nan 4.420 nan 0.000 0.216 98 P C -1.545 175.768 177.300 0.022 0.000 1.153 98 P CA 1.424 64.533 63.100 0.014 0.000 0.858 98 P CB -1.183 30.524 31.700 0.012 0.000 0.789 99 P HA -0.126 nan 4.420 nan 0.000 0.217 99 P C 1.394 178.731 177.300 0.062 0.000 1.150 99 P CA 1.868 64.991 63.100 0.039 0.000 0.832 99 P CB -0.594 31.128 31.700 0.038 0.000 0.787 100 A N -0.378 122.489 122.820 0.078 0.000 1.929 100 A HA -0.217 4.102 4.320 -0.003 0.000 0.216 100 A C 2.219 179.839 177.584 0.061 0.000 1.176 100 A CA 1.283 53.410 52.037 0.150 0.000 0.628 100 A CB -1.231 17.873 19.000 0.173 0.000 0.816 100 A HN 0.152 nan 8.150 nan 0.000 0.444 101 Q N -0.056 119.740 119.800 -0.007 0.000 2.112 101 Q HA -0.215 4.123 4.340 -0.003 0.000 0.206 101 Q C 1.716 177.688 176.000 -0.046 0.000 0.987 101 Q CA 1.649 57.415 55.803 -0.063 0.000 0.858 101 Q CB -0.285 28.437 28.738 -0.027 0.000 0.905 101 Q HN 0.606 nan 8.270 nan 0.000 0.420 102 N N 0.310 119.013 118.700 0.004 0.000 2.270 102 N HA -0.065 4.673 4.740 -0.003 0.000 0.181 102 N C 1.765 177.297 175.510 0.036 0.000 1.016 102 N CA 0.832 53.896 53.050 0.024 0.000 0.870 102 N CB -0.070 38.435 38.487 0.030 0.000 0.979 102 N HN 0.225 nan 8.380 nan 0.000 0.431 103 L N 0.412 121.671 121.223 0.059 0.000 2.072 103 L HA -0.057 4.281 4.340 -0.003 0.000 0.205 103 L C 2.342 179.260 176.870 0.080 0.000 1.079 103 L CA 0.520 55.429 54.840 0.114 0.000 0.752 103 L CB -0.380 41.803 42.059 0.205 0.000 0.906 103 L HN 0.122 nan 8.230 nan 0.000 0.436 104 L N -0.151 120.957 121.223 -0.192 0.000 1.989 104 L HA -0.267 4.071 4.340 -0.003 0.000 0.211 104 L C 2.519 179.291 176.870 -0.164 0.000 1.071 104 L CA 1.571 56.076 54.840 -0.558 0.000 0.749 104 L CB -0.161 41.317 42.059 -0.968 0.000 0.890 104 L HN 0.167 nan 8.230 nan 0.000 0.431 105 L N -0.461 120.764 121.223 0.004 0.000 2.079 105 L HA -0.256 4.082 4.340 -0.003 0.000 0.210 105 L C 2.689 179.719 176.870 0.266 0.000 1.081 105 L CA 1.428 56.411 54.840 0.238 0.000 0.752 105 L CB -0.609 41.560 42.059 0.183 0.000 0.896 105 L HN 0.274 nan 8.230 nan 0.000 0.433 106 K N -0.538 119.942 120.400 0.135 0.000 2.097 106 K HA -0.080 4.238 4.320 -0.003 0.000 0.205 106 K C 2.314 178.970 176.600 0.093 0.000 1.050 106 K CA 1.208 57.571 56.287 0.127 0.000 0.938 106 K CB -0.145 32.406 32.500 0.085 0.000 0.718 106 K HN 0.154 nan 8.250 nan 0.000 0.442 107 S N 0.698 116.415 115.700 0.027 0.000 2.372 107 S HA -0.186 4.282 4.470 -0.003 0.000 0.227 107 S C 1.872 176.478 174.600 0.010 0.000 1.044 107 S CA 1.515 59.707 58.200 -0.014 0.000 1.050 107 S CB -0.348 62.707 63.200 -0.242 0.000 0.901 107 S HN 0.346 nan 8.310 nan 0.000 0.447 108 Y N -1.110 119.100 120.300 -0.150 0.000 2.206 108 Y HA 0.040 4.588 4.550 -0.003 0.000 0.292 108 Y C 1.785 177.267 175.900 -0.697 0.000 1.123 108 Y CA 0.847 58.532 58.100 -0.692 0.000 1.142 108 Y CB -0.010 37.812 38.460 -1.063 0.000 1.006 108 Y HN 0.220 nan 8.280 nan 0.000 0.518 109 F N -2.097 117.922 119.950 0.115 0.000 2.694 109 F HA 0.145 4.670 4.527 -0.003 0.000 0.292 109 F C 1.316 177.157 175.800 0.068 0.000 1.121 109 F CA -0.172 57.892 58.000 0.107 0.000 1.352 109 F CB 0.223 39.290 39.000 0.111 0.000 1.107 109 F HN -0.269 nan 8.300 nan 0.000 0.597 110 S N 0.086 115.905 115.700 0.199 0.000 2.669 110 S HA 0.105 4.573 4.470 -0.003 0.000 0.270 110 S C 1.526 176.172 174.600 0.077 0.000 1.225 110 S CA 0.192 58.473 58.200 0.135 0.000 0.991 110 S CB 1.034 64.306 63.200 0.119 0.000 0.987 110 S HN 0.247 nan 8.310 nan 0.000 0.552 111 E N 1.018 121.253 120.200 0.057 0.000 2.160 111 E HA -0.152 4.196 4.350 -0.003 0.000 0.195 111 E C 1.437 178.065 176.600 0.046 0.000 0.991 111 E CA 1.567 57.979 56.400 0.020 0.000 0.810 111 E CB -0.954 28.762 29.700 0.027 0.000 0.742 111 E HN 0.849 nan 8.360 nan 0.000 0.466 112 E N 0.508 120.771 120.200 0.106 0.000 2.482 112 E HA 0.155 4.504 4.350 -0.003 0.000 0.196 112 E C 1.225 177.997 176.600 0.286 0.000 1.047 112 E CA 0.480 56.994 56.400 0.189 0.000 0.869 112 E CB 0.145 29.917 29.700 0.120 0.000 0.836 112 E HN 0.521 nan 8.360 nan 0.000 0.520 113 G N 0.478 109.394 108.800 0.193 0.000 3.194 113 G HA2 0.263 4.221 3.960 -0.003 0.000 0.160 113 G HA3 0.263 4.221 3.960 -0.003 0.000 0.160 113 G C 0.632 175.590 174.900 0.097 0.000 1.267 113 G CA -0.296 44.936 45.100 0.218 0.000 0.962 113 G HN 0.216 nan 8.290 nan 0.000 0.612 114 I N -2.404 118.130 120.570 -0.061 0.000 3.941 114 I HA 0.496 4.664 4.170 -0.003 0.000 0.335 114 I C 1.163 177.145 176.117 -0.224 0.000 1.402 114 I CA 0.283 61.424 61.300 -0.265 0.000 1.112 114 I CB 0.425 38.144 38.000 -0.470 0.000 1.043 114 I HN 0.779 nan 8.210 nan 0.000 0.395 115 G N 1.326 110.057 108.800 -0.115 0.000 2.246 115 G HA2 -0.316 3.642 3.960 -0.003 0.000 0.273 115 G HA3 -0.316 3.642 3.960 -0.003 0.000 0.273 115 G C 0.022 175.000 174.900 0.131 0.000 1.055 115 G CA -0.124 44.969 45.100 -0.012 0.000 0.851 115 G HN 0.639 nan 8.290 nan 0.000 0.500 116 Y N 0.273 120.516 120.300 -0.095 0.000 2.805 116 Y HA 0.029 4.578 4.550 -0.003 0.000 0.337 116 Y C 1.674 177.656 175.900 0.136 0.000 1.252 116 Y CA 0.570 58.635 58.100 -0.059 0.000 1.515 116 Y CB 0.515 38.728 38.460 -0.411 0.000 1.305 116 Y HN 0.487 nan 8.280 nan 0.000 0.600 117 N N 2.817 121.657 118.700 0.234 0.000 2.232 117 N HA 0.178 4.917 4.740 -0.003 0.000 0.240 117 N C -0.970 174.591 175.510 0.084 0.000 1.307 117 N CA 0.139 53.291 53.050 0.169 0.000 0.859 117 N CB 0.298 38.830 38.487 0.076 0.000 1.260 117 N HN 0.465 nan 8.380 nan 0.000 0.501 118 I N 1.250 121.876 120.570 0.093 0.000 2.582 118 I HA 0.480 4.648 4.170 -0.003 0.000 0.292 118 I C -0.834 175.373 176.117 0.149 0.000 1.066 118 I CA -0.844 60.500 61.300 0.073 0.000 1.053 118 I CB 2.433 40.463 38.000 0.051 0.000 1.241 118 I HN -0.147 nan 8.210 nan 0.000 0.421 119 I N 5.338 126.011 120.570 0.172 0.000 2.447 119 I HA 0.425 4.593 4.170 -0.003 0.000 0.287 119 I C -0.262 175.986 176.117 0.219 0.000 1.023 119 I CA -0.613 60.801 61.300 0.189 0.000 1.083 119 I CB 2.097 40.185 38.000 0.147 0.000 1.245 119 I HN 0.518 nan 8.210 nan 0.000 0.434 120 R N 5.248 125.889 120.500 0.236 0.000 2.349 120 R HA 0.675 5.013 4.340 -0.003 0.000 0.299 120 R C -1.456 175.033 176.300 0.315 0.000 1.027 120 R CA -0.370 55.913 56.100 0.304 0.000 0.958 120 R CB 1.373 31.866 30.300 0.322 0.000 1.047 120 R HN 0.454 nan 8.270 nan 0.000 0.468 121 V N 7.207 127.341 119.914 0.367 0.000 2.409 121 V HA 0.341 4.460 4.120 -0.003 0.000 0.290 121 V C -2.262 174.016 176.094 0.305 0.000 1.017 121 V CA -2.138 60.374 62.300 0.353 0.000 0.841 121 V CB 1.653 33.772 31.823 0.494 0.000 1.003 121 V HN 0.842 nan 8.190 nan 0.000 0.426 122 P HA 0.251 nan 4.420 nan 0.000 0.271 122 P C -0.305 177.056 177.300 0.102 0.000 1.216 122 P CA -0.118 63.115 63.100 0.221 0.000 0.776 122 P CB 0.438 32.079 31.700 -0.097 0.000 0.881 123 M N 3.085 122.666 119.600 -0.031 0.000 2.319 123 M HA 0.404 4.882 4.480 -0.003 0.000 0.343 123 M C 0.723 176.910 176.300 -0.188 0.000 1.364 123 M CA 0.282 55.453 55.300 -0.215 0.000 1.292 123 M CB -0.719 31.539 32.600 -0.569 0.000 1.432 123 M HN 0.601 nan 8.290 nan 0.000 0.448 124 A N 1.684 124.321 122.820 -0.306 0.000 5.950 124 A HA -0.170 4.148 4.320 -0.003 0.000 0.259 124 A C 0.305 177.598 177.584 -0.486 0.000 2.176 124 A CA 0.406 52.103 52.037 -0.566 0.000 0.709 124 A CB -1.738 16.681 19.000 -0.970 0.000 1.054 124 A HN 0.890 nan 8.150 nan 0.000 0.357 125 S N -0.119 115.043 115.700 -0.896 0.000 2.580 125 S HA 0.584 5.052 4.470 -0.003 0.000 0.274 125 S C 0.531 174.863 174.600 -0.446 0.000 1.329 125 S CA 0.178 57.900 58.200 -0.795 0.000 1.036 125 S CB 0.524 63.061 63.200 -1.105 0.000 0.919 125 S HN 2.484 nan 8.310 nan 0.000 0.515 126 C N 1.025 120.090 119.300 -0.392 0.000 3.292 126 C HA 0.656 5.114 4.460 -0.003 0.000 0.369 126 C C 1.433 176.437 174.990 0.023 0.000 2.360 126 C CA 0.014 58.770 59.018 -0.435 0.000 1.526 126 C CB 0.547 27.519 27.740 -1.281 0.000 2.784 126 C HN 0.886 nan 8.230 nan 0.000 0.490 127 D N 0.498 120.926 120.400 0.047 0.000 2.224 127 D HA -0.092 4.546 4.640 -0.003 0.000 0.205 127 D C 0.619 176.800 176.300 -0.198 0.000 0.965 127 D CA 0.999 54.969 54.000 -0.051 0.000 0.852 127 D CB -0.470 40.039 40.800 -0.485 0.000 0.947 127 D HN 0.577 nan 8.370 nan 0.000 0.494 128 F N 1.478 121.415 119.950 -0.022 0.000 2.733 128 F HA 0.289 4.814 4.527 -0.003 0.000 0.344 128 F C 0.346 176.132 175.800 -0.024 0.000 1.179 128 F CA -0.049 57.919 58.000 -0.053 0.000 1.316 128 F CB 0.004 38.878 39.000 -0.210 0.000 1.577 128 F HN -0.258 nan 8.300 nan 0.000 0.591 129 S N 0.275 116.071 115.700 0.161 0.000 2.595 129 S HA 0.458 4.926 4.470 -0.003 0.000 0.281 129 S C 0.804 175.530 174.600 0.209 0.000 1.117 129 S CA -0.732 57.562 58.200 0.157 0.000 0.873 129 S CB 1.790 65.034 63.200 0.074 0.000 1.108 129 S HN 0.402 nan 8.310 nan 0.000 0.477 130 I N -0.772 119.896 120.570 0.163 0.000 3.860 130 I HA 0.378 4.547 4.170 -0.003 0.000 0.319 130 I C 0.449 176.625 176.117 0.098 0.000 1.279 130 I CA -0.127 61.268 61.300 0.158 0.000 1.220 130 I CB -0.040 38.031 38.000 0.118 0.000 1.027 130 I HN 0.471 nan 8.210 nan 0.000 0.428 131 R N 0.623 121.145 120.500 0.038 0.000 2.764 131 R HA 0.584 4.922 4.340 -0.003 0.000 0.270 131 R C -0.740 175.418 176.300 -0.237 0.000 1.014 131 R CA -0.495 55.547 56.100 -0.097 0.000 0.904 131 R CB 0.665 30.966 30.300 0.001 0.000 1.236 131 R HN 0.084 nan 8.270 nan 0.000 0.466 132 T N -0.570 113.720 114.554 -0.440 0.000 2.799 132 T HA 0.618 4.966 4.350 -0.003 0.000 0.286 132 T C -0.607 173.982 174.700 -0.185 0.000 0.973 132 T CA -0.536 61.246 62.100 -0.530 0.000 1.035 132 T CB 0.481 68.897 68.868 -0.753 0.000 0.932 132 T HN 0.659 nan 8.240 nan 0.000 0.469 133 Y N -0.743 119.420 120.300 -0.228 0.000 2.604 133 Y HA 0.694 5.242 4.550 -0.003 0.000 0.331 133 Y C -0.397 175.401 175.900 -0.171 0.000 1.158 133 Y CA -1.129 56.877 58.100 -0.157 0.000 1.056 133 Y CB 0.705 39.092 38.460 -0.120 0.000 1.330 133 Y HN 0.923 nan 8.280 nan 0.000 0.457 134 T N -2.477 112.063 114.554 -0.024 0.000 2.807 134 T HA 0.419 4.767 4.350 -0.003 0.000 0.277 134 T C -0.247 174.486 174.700 0.055 0.000 1.006 134 T CA -0.639 61.408 62.100 -0.088 0.000 1.006 134 T CB 0.920 69.777 68.868 -0.018 0.000 1.274 134 T HN 0.759 nan 8.240 nan 0.000 0.569 135 Y N -0.141 120.249 120.300 0.150 0.000 2.546 135 Y HA 0.478 5.026 4.550 -0.003 0.000 0.287 135 Y C 1.605 177.351 175.900 -0.256 0.000 1.158 135 Y CA -0.204 57.715 58.100 -0.302 0.000 1.307 135 Y CB 0.343 38.129 38.460 -1.123 0.000 1.036 135 Y HN 0.758 nan 8.280 nan 0.000 0.532 136 A N -0.347 122.643 122.820 0.283 0.000 3.410 136 A HA 0.259 4.577 4.320 -0.003 0.000 0.276 136 A C -0.223 177.654 177.584 0.488 0.000 0.995 136 A CA -0.444 51.842 52.037 0.415 0.000 0.934 136 A CB -0.197 19.217 19.000 0.689 0.000 1.191 136 A HN 0.112 nan 8.150 nan 0.000 0.511 137 D N 0.464 121.058 120.400 0.324 0.000 2.349 137 D HA 0.017 4.655 4.640 -0.003 0.000 0.215 137 D C 0.334 176.800 176.300 0.276 0.000 1.016 137 D CA 0.858 55.048 54.000 0.316 0.000 0.870 137 D CB 0.337 41.241 40.800 0.173 0.000 0.917 137 D HN 0.399 nan 8.370 nan 0.000 0.524 138 T N 3.505 118.172 114.554 0.187 0.000 2.784 138 T HA 0.133 4.481 4.350 -0.003 0.000 0.291 138 T C -2.379 172.145 174.700 -0.295 0.000 0.942 138 T CA -1.013 61.086 62.100 -0.001 0.000 1.161 138 T CB 1.102 69.969 68.868 -0.002 0.000 0.885 138 T HN -0.033 nan 8.240 nan 0.000 0.534 139 P HA 0.107 nan 4.420 nan 0.000 0.266 139 P C 0.165 176.851 177.300 -1.022 0.000 1.195 139 P CA 0.050 62.717 63.100 -0.721 0.000 0.768 139 P CB 0.286 31.833 31.700 -0.255 0.000 0.838 140 D N -0.205 119.171 120.400 -1.706 0.000 2.837 140 D HA -0.203 4.435 4.640 -0.003 0.000 0.230 140 D C -0.062 175.557 176.300 -1.134 0.000 1.152 140 D CA 1.037 54.272 54.000 -1.275 0.000 0.736 140 D CB -1.596 39.033 40.800 -0.285 0.000 1.084 140 D HN 0.482 nan 8.370 nan 0.000 0.429 141 D N -0.609 118.877 120.400 -1.523 0.000 2.688 141 D HA 0.100 4.739 4.640 -0.003 0.000 0.228 141 D C 1.034 177.206 176.300 -0.213 0.000 1.116 141 D CA -0.314 53.346 54.000 -0.566 0.000 1.023 141 D CB -0.779 39.874 40.800 -0.245 0.000 1.100 141 D HN 0.133 nan 8.370 nan 0.000 0.487 142 F N 0.422 120.351 119.950 -0.034 0.000 2.269 142 F HA -0.131 4.394 4.527 -0.003 0.000 0.301 142 F C 2.287 178.166 175.800 0.130 0.000 1.082 142 F CA 0.891 59.009 58.000 0.196 0.000 1.360 142 F CB -0.096 38.969 39.000 0.108 0.000 1.041 142 F HN 0.309 nan 8.300 nan 0.000 0.512 143 Q N 0.048 119.915 119.800 0.113 0.000 2.369 143 Q HA -0.002 4.336 4.340 -0.003 0.000 0.206 143 Q C 0.847 176.847 176.000 0.000 0.000 0.963 143 Q CA 0.433 56.179 55.803 -0.095 0.000 0.894 143 Q CB 0.049 28.419 28.738 -0.612 0.000 0.965 143 Q HN 0.396 nan 8.270 nan 0.000 0.475 144 L N 0.453 121.769 121.223 0.155 0.000 3.717 144 L HA -0.325 4.013 4.340 -0.003 0.000 0.414 144 L C 0.638 177.688 176.870 0.300 0.000 1.228 144 L CA 0.195 55.218 54.840 0.306 0.000 0.918 144 L CB -2.035 40.241 42.059 0.360 0.000 1.865 144 L HN 0.480 nan 8.230 nan 0.000 0.922 145 H N -0.452 118.730 119.070 0.188 0.000 2.495 145 H HA -0.038 4.517 4.556 -0.003 0.000 0.287 145 H C 1.274 176.696 175.328 0.157 0.000 1.033 145 H CA 1.402 57.536 56.048 0.143 0.000 1.307 145 H CB 0.177 29.998 29.762 0.097 0.000 1.401 145 H HN 0.603 nan 8.280 nan 0.000 0.555 146 N N 0.125 119.005 118.700 0.301 0.000 2.275 146 N HA 0.055 4.793 4.740 -0.003 0.000 0.236 146 N C -0.814 174.858 175.510 0.269 0.000 1.154 146 N CA -0.297 52.892 53.050 0.233 0.000 0.866 146 N CB 0.303 38.886 38.487 0.160 0.000 1.093 146 N HN 0.139 nan 8.380 nan 0.000 0.515 147 F N 2.813 122.877 119.950 0.189 0.000 2.571 147 F HA 0.104 4.629 4.527 -0.003 0.000 0.384 147 F C 0.535 176.405 175.800 0.116 0.000 1.058 147 F CA -0.038 58.062 58.000 0.166 0.000 1.200 147 F CB 0.313 39.381 39.000 0.114 0.000 1.077 147 F HN 0.026 nan 8.300 nan 0.000 0.558 148 S N 6.349 121.978 115.700 -0.119 0.000 2.537 148 S HA 0.569 5.037 4.470 -0.003 0.000 0.270 148 S C -1.252 173.273 174.600 -0.124 0.000 1.142 148 S CA -1.227 56.969 58.200 -0.006 0.000 0.870 148 S CB 1.160 64.396 63.200 0.060 0.000 1.112 148 S HN 0.645 nan 8.310 nan 0.000 0.466 149 L N 3.107 124.293 121.223 -0.061 0.000 2.319 149 L HA 0.457 4.795 4.340 -0.003 0.000 0.280 149 L C -1.662 175.220 176.870 0.021 0.000 1.099 149 L CA -1.556 53.264 54.840 -0.032 0.000 0.828 149 L CB 0.285 42.290 42.059 -0.091 0.000 1.150 149 L HN 0.593 nan 8.230 nan 0.000 0.442 150 P HA 0.146 nan 4.420 nan 0.000 0.293 150 P C 0.155 177.409 177.300 -0.077 0.000 1.304 150 P CA -0.478 62.579 63.100 -0.072 0.000 0.767 150 P CB 0.939 32.495 31.700 -0.242 0.000 1.247 151 E N -0.374 119.765 120.200 -0.101 0.000 2.204 151 E HA -0.194 4.154 4.350 -0.003 0.000 0.195 151 E C 1.640 178.203 176.600 -0.062 0.000 0.990 151 E CA 1.161 57.517 56.400 -0.072 0.000 0.821 151 E CB -0.100 29.562 29.700 -0.063 0.000 0.750 151 E HN 0.456 nan 8.360 nan 0.000 0.477 152 E N 0.969 121.115 120.200 -0.091 0.000 2.097 152 E HA -0.209 4.140 4.350 -0.003 0.000 0.196 152 E C 1.433 178.068 176.600 0.058 0.000 1.000 152 E CA 1.780 58.172 56.400 -0.015 0.000 0.804 152 E CB -0.064 29.629 29.700 -0.012 0.000 0.740 152 E HN 0.301 nan 8.360 nan 0.000 0.454 153 D N -1.206 119.241 120.400 0.078 0.000 2.110 153 D HA -0.096 4.543 4.640 -0.003 0.000 0.202 153 D C 2.045 178.271 176.300 -0.124 0.000 0.975 153 D CA 1.967 56.005 54.000 0.063 0.000 0.839 153 D CB -0.299 40.583 40.800 0.137 0.000 0.996 153 D HN 0.286 nan 8.370 nan 0.000 0.464 154 T N -1.735 112.727 114.554 -0.153 0.000 2.942 154 T HA -0.023 4.325 4.350 -0.003 0.000 0.265 154 T C 1.842 176.489 174.700 -0.089 0.000 1.062 154 T CA 0.637 62.616 62.100 -0.202 0.000 1.139 154 T CB 0.044 68.845 68.868 -0.111 0.000 0.883 154 T HN -0.106 nan 8.240 nan 0.000 0.468 155 K N 0.174 120.544 120.400 -0.050 0.000 2.313 155 K HA 0.493 4.811 4.320 -0.003 0.000 0.197 155 K C 2.149 178.742 176.600 -0.012 0.000 1.061 155 K CA 0.255 56.528 56.287 -0.024 0.000 0.980 155 K CB -0.388 32.101 32.500 -0.018 0.000 0.888 155 K HN 0.476 nan 8.250 nan 0.000 0.502 156 L N -0.105 121.113 121.223 -0.007 0.000 2.416 156 L HA 0.232 4.570 4.340 -0.003 0.000 0.188 156 L C 2.319 179.202 176.870 0.022 0.000 1.145 156 L CA 0.799 55.647 54.840 0.012 0.000 0.826 156 L CB -0.322 41.752 42.059 0.025 0.000 1.064 156 L HN 0.042 nan 8.230 nan 0.000 0.490 157 K N 0.593 121.019 120.400 0.043 0.000 2.031 157 K HA -0.024 4.294 4.320 -0.003 0.000 0.205 157 K C 2.042 178.661 176.600 0.031 0.000 1.049 157 K CA 1.259 57.592 56.287 0.076 0.000 0.939 157 K CB -0.080 32.526 32.500 0.176 0.000 0.717 157 K HN 0.138 nan 8.250 nan 0.000 0.438 158 I N 1.016 121.559 120.570 -0.045 0.000 2.179 158 I HA -0.186 3.982 4.170 -0.003 0.000 0.242 158 I C -1.022 175.090 176.117 -0.009 0.000 1.088 158 I CA 1.057 62.276 61.300 -0.134 0.000 1.357 158 I CB -0.872 36.908 38.000 -0.366 0.000 1.051 158 I HN 0.066 nan 8.210 nan 0.000 0.409 159 P HA -0.157 nan 4.420 nan 0.000 0.216 159 P C 1.935 179.268 177.300 0.055 0.000 1.150 159 P CA 1.428 64.578 63.100 0.082 0.000 0.837 159 P CB 0.027 31.748 31.700 0.035 0.000 0.786 160 L N -1.488 119.745 121.223 0.017 0.000 2.093 160 L HA -0.129 4.209 4.340 -0.003 0.000 0.208 160 L C 2.354 179.194 176.870 -0.050 0.000 1.085 160 L CA 1.209 56.048 54.840 -0.001 0.000 0.755 160 L CB -0.634 41.431 42.059 0.011 0.000 0.904 160 L HN -0.057 nan 8.230 nan 0.000 0.435 161 I N -1.220 119.306 120.570 -0.073 0.000 2.226 161 I HA -0.312 3.856 4.170 -0.003 0.000 0.245 161 I C 2.602 178.603 176.117 -0.194 0.000 1.100 161 I CA 0.989 62.190 61.300 -0.165 0.000 1.374 161 I CB -0.470 37.435 38.000 -0.159 0.000 1.057 161 I HN 0.310 nan 8.210 nan 0.000 0.413 162 H N 1.005 120.017 119.070 -0.096 0.000 2.353 162 H HA -0.088 4.466 4.556 -0.003 0.000 0.300 162 H C 2.477 177.748 175.328 -0.095 0.000 1.090 162 H CA 1.465 57.461 56.048 -0.087 0.000 1.327 162 H CB -0.123 29.604 29.762 -0.059 0.000 1.383 162 H HN 0.284 nan 8.280 nan 0.000 0.508 163 R N 0.226 120.750 120.500 0.040 0.000 2.096 163 R HA -0.065 4.273 4.340 -0.003 0.000 0.235 163 R C 2.562 178.818 176.300 -0.073 0.000 1.127 163 R CA 1.027 57.124 56.100 -0.006 0.000 0.968 163 R CB -0.177 30.124 30.300 0.002 0.000 0.861 163 R HN 0.218 nan 8.270 nan 0.000 0.440 164 A N 1.183 123.885 122.820 -0.198 0.000 1.877 164 A HA -0.141 4.177 4.320 -0.003 0.000 0.216 164 A C 2.156 179.518 177.584 -0.370 0.000 1.186 164 A CA 1.203 52.954 52.037 -0.477 0.000 0.620 164 A CB -0.571 17.804 19.000 -1.042 0.000 0.822 164 A HN 0.187 nan 8.150 nan 0.000 0.443 165 L N -1.027 120.040 121.223 -0.260 0.000 2.083 165 L HA -0.250 4.089 4.340 -0.003 0.000 0.209 165 L C 2.835 179.677 176.870 -0.046 0.000 1.083 165 L CA 1.530 56.289 54.840 -0.135 0.000 0.752 165 L CB -0.565 41.435 42.059 -0.098 0.000 0.899 165 L HN 0.481 nan 8.230 nan 0.000 0.433 166 Q N -0.250 119.535 119.800 -0.024 0.000 2.226 166 Q HA -0.155 4.183 4.340 -0.003 0.000 0.204 166 Q C 2.061 178.070 176.000 0.015 0.000 0.975 166 Q CA 1.204 57.009 55.803 0.004 0.000 0.866 166 Q CB 0.004 28.747 28.738 0.008 0.000 0.915 166 Q HN 0.515 nan 8.270 nan 0.000 0.440 167 L N -0.416 120.818 121.223 0.018 0.000 2.567 167 L HA 0.226 4.564 4.340 -0.003 0.000 0.225 167 L C 0.529 177.455 176.870 0.092 0.000 1.119 167 L CA -0.602 54.274 54.840 0.060 0.000 0.871 167 L CB 0.194 42.306 42.059 0.089 0.000 1.036 167 L HN -0.007 nan 8.230 nan 0.000 0.459 168 A N -0.001 122.867 122.820 0.079 0.000 2.409 168 A HA 0.069 4.388 4.320 -0.003 0.000 0.262 168 A C 1.209 178.850 177.584 0.095 0.000 1.113 168 A CA -0.208 51.907 52.037 0.130 0.000 0.790 168 A CB 0.684 19.749 19.000 0.107 0.000 1.046 168 A HN 0.346 nan 8.150 nan 0.000 0.496 169 Q N 1.395 121.256 119.800 0.103 0.000 2.112 169 Q HA -0.165 4.173 4.340 -0.003 0.000 0.206 169 Q C 0.413 176.447 176.000 0.057 0.000 0.987 169 Q CA 1.563 57.406 55.803 0.067 0.000 0.858 169 Q CB 0.069 28.838 28.738 0.052 0.000 0.905 169 Q HN 0.778 nan 8.270 nan 0.000 0.420 170 R N -0.182 120.360 120.500 0.070 0.000 2.888 170 R HA 0.441 4.779 4.340 -0.003 0.000 0.266 170 R C -2.600 173.725 176.300 0.041 0.000 1.020 170 R CA -2.223 53.906 56.100 0.049 0.000 0.963 170 R CB 1.293 31.624 30.300 0.051 0.000 1.197 170 R HN 0.014 nan 8.270 nan 0.000 0.481 171 P HA 0.026 nan 4.420 nan 0.000 0.267 171 P C -0.928 176.367 177.300 -0.007 0.000 1.205 171 P CA -0.094 63.004 63.100 -0.003 0.000 0.765 171 P CB 0.535 32.222 31.700 -0.020 0.000 0.828 172 V N 3.557 123.466 119.914 -0.008 0.000 2.427 172 V HA 0.240 4.358 4.120 -0.003 0.000 0.286 172 V C 0.428 176.497 176.094 -0.041 0.000 1.034 172 V CA -0.191 62.109 62.300 -0.000 0.000 0.893 172 V CB 1.529 33.351 31.823 -0.001 0.000 0.982 172 V HN 0.468 nan 8.190 nan 0.000 0.452 173 S N 5.746 121.410 115.700 -0.060 0.000 2.457 173 S HA 0.627 5.095 4.470 -0.003 0.000 0.289 173 S C -0.321 174.330 174.600 0.086 0.000 1.163 173 S CA -0.484 57.698 58.200 -0.030 0.000 1.078 173 S CB 0.695 63.716 63.200 -0.299 0.000 0.987 173 S HN 0.485 nan 8.310 nan 0.000 0.482 174 L N 3.612 124.883 121.223 0.079 0.000 2.312 174 L HA 0.578 4.916 4.340 -0.003 0.000 0.281 174 L C -0.589 176.533 176.870 0.421 0.000 1.070 174 L CA -0.849 54.014 54.840 0.037 0.000 0.805 174 L CB 0.852 42.531 42.059 -0.632 0.000 1.174 174 L HN 0.409 nan 8.230 nan 0.000 0.434 175 L N 3.272 124.790 121.223 0.491 0.000 2.356 175 L HA 0.797 5.135 4.340 -0.003 0.000 0.277 175 L C -0.403 176.725 176.870 0.430 0.000 0.996 175 L CA -0.185 54.923 54.840 0.447 0.000 0.822 175 L CB 1.529 43.805 42.059 0.362 0.000 1.256 175 L HN 0.654 nan 8.230 nan 0.000 0.413 176 A N 3.278 126.223 122.820 0.208 0.000 2.324 176 A HA 0.912 5.230 4.320 -0.003 0.000 0.330 176 A C -0.648 176.904 177.584 -0.054 0.000 1.165 176 A CA -0.427 51.585 52.037 -0.041 0.000 0.813 176 A CB 1.006 19.682 19.000 -0.541 0.000 1.197 176 A HN 0.726 nan 8.150 nan 0.000 0.484 177 S N 2.649 118.350 115.700 0.002 0.000 2.575 177 S HA 0.686 5.155 4.470 -0.003 0.000 0.278 177 S C -3.076 171.578 174.600 0.089 0.000 1.139 177 S CA -0.868 57.338 58.200 0.010 0.000 0.954 177 S CB 2.214 65.428 63.200 0.024 0.000 1.054 177 S HN 0.636 nan 8.310 nan 0.000 0.483 178 P HA 0.302 nan 4.420 nan 0.000 0.286 178 P C 0.089 177.535 177.300 0.244 0.000 1.261 178 P CA -0.659 62.526 63.100 0.142 0.000 0.821 178 P CB 1.065 32.804 31.700 0.066 0.000 1.013 179 W N 0.713 122.017 121.300 0.006 0.000 2.601 179 W HA 0.042 4.700 4.660 -0.003 0.000 0.292 179 W C 0.781 177.284 176.519 -0.026 0.000 1.153 179 W CA 0.686 58.045 57.345 0.023 0.000 1.448 179 W CB 0.138 29.629 29.460 0.051 0.000 1.113 179 W HN 0.236 nan 8.180 nan 0.000 0.548 180 T N 0.238 114.875 114.554 0.138 0.000 2.907 180 T HA 0.323 4.671 4.350 -0.003 0.000 0.292 180 T C -0.012 174.479 174.700 -0.347 0.000 1.043 180 T CA -0.454 61.570 62.100 -0.127 0.000 1.003 180 T CB 1.501 70.296 68.868 -0.123 0.000 1.084 180 T HN -0.035 nan 8.240 nan 0.000 0.483 181 S N 4.017 119.222 115.700 -0.825 0.000 2.624 181 S HA 0.544 5.012 4.470 -0.003 0.000 0.263 181 S C -2.639 171.533 174.600 -0.713 0.000 1.287 181 S CA -1.081 56.383 58.200 -1.226 0.000 0.990 181 S CB 0.021 62.134 63.200 -1.813 0.000 0.950 181 S HN 0.555 nan 8.310 nan 0.000 0.561 182 P HA 0.002 nan 4.420 nan 0.000 0.264 182 P C 1.204 178.076 177.300 -0.714 0.000 1.173 182 P CA 0.376 63.083 63.100 -0.654 0.000 0.761 182 P CB 0.153 31.213 31.700 -1.066 0.000 0.794 183 T N -0.717 113.594 114.554 -0.404 0.000 2.962 183 T HA -0.137 4.211 4.350 -0.003 0.000 0.270 183 T C 1.283 175.857 174.700 -0.211 0.000 1.088 183 T CA 0.659 62.603 62.100 -0.261 0.000 1.127 183 T CB -0.710 68.099 68.868 -0.099 0.000 0.883 183 T HN 0.584 nan 8.240 nan 0.000 0.493 184 W N 1.013 122.240 121.300 -0.122 0.000 3.077 184 W HA 0.352 5.010 4.660 -0.004 0.000 0.245 184 W C 0.712 177.182 176.519 -0.081 0.000 1.316 184 W CA -0.472 56.819 57.345 -0.090 0.000 1.537 184 W CB -0.812 28.594 29.460 -0.090 0.000 1.131 184 W HN 0.255 nan 8.180 nan 0.000 0.695 185 L N 0.876 121.802 121.223 -0.495 0.000 2.607 185 L HA 0.202 4.540 4.340 -0.003 0.000 0.228 185 L C 0.583 177.201 176.870 -0.420 0.000 1.123 185 L CA 0.621 55.227 54.840 -0.390 0.000 0.890 185 L CB -0.227 41.446 42.059 -0.643 0.000 1.103 185 L HN -0.258 nan 8.230 nan 0.000 0.468 186 K N -0.670 119.511 120.400 -0.365 0.000 2.259 186 K HA 0.253 4.571 4.320 -0.003 0.000 0.252 186 K C 1.131 177.573 176.600 -0.263 0.000 0.936 186 K CA -0.085 55.985 56.287 -0.361 0.000 0.810 186 K CB 1.943 34.234 32.500 -0.347 0.000 1.143 186 K HN -0.095 nan 8.250 nan 0.000 0.427 187 T N -1.564 112.835 114.554 -0.259 0.000 2.803 187 T HA -0.181 4.167 4.350 -0.003 0.000 0.269 187 T C 1.198 175.818 174.700 -0.133 0.000 1.052 187 T CA 1.636 63.622 62.100 -0.190 0.000 1.136 187 T CB -0.236 68.528 68.868 -0.173 0.000 0.864 187 T HN 0.678 nan 8.240 nan 0.000 0.467 188 N N 1.243 119.863 118.700 -0.133 0.000 2.236 188 N HA 0.166 4.904 4.740 -0.003 0.000 0.196 188 N C 1.503 176.966 175.510 -0.077 0.000 1.114 188 N CA 0.582 53.576 53.050 -0.093 0.000 0.859 188 N CB -0.571 37.864 38.487 -0.087 0.000 0.982 188 N HN 0.629 nan 8.380 nan 0.000 0.493 189 G N 0.009 108.754 108.800 -0.093 0.000 2.341 189 G HA2 -0.052 3.906 3.960 -0.003 0.000 0.292 189 G HA3 -0.052 3.906 3.960 -0.003 0.000 0.292 189 G C 0.057 174.920 174.900 -0.061 0.000 1.021 189 G CA 0.647 45.707 45.100 -0.065 0.000 0.905 189 G HN 0.903 nan 8.290 nan 0.000 0.508 190 A N -1.769 121.001 122.820 -0.084 0.000 2.556 190 A HA 0.869 5.187 4.320 -0.003 0.000 0.294 190 A C 1.165 178.699 177.584 -0.083 0.000 1.091 190 A CA 0.272 52.271 52.037 -0.064 0.000 0.704 190 A CB 1.077 20.057 19.000 -0.033 0.000 1.300 190 A HN 1.491 nan 8.150 nan 0.000 0.406 191 V N -1.002 118.875 119.914 -0.062 0.000 2.809 191 V HA 0.077 4.195 4.120 -0.003 0.000 0.256 191 V C 0.579 176.689 176.094 0.026 0.000 1.080 191 V CA 1.796 64.061 62.300 -0.059 0.000 1.102 191 V CB -1.607 30.167 31.823 -0.081 0.000 0.705 191 V HN 0.955 nan 8.190 nan 0.000 0.475 192 N N -0.070 118.668 118.700 0.064 0.000 3.201 192 N HA 0.681 5.419 4.740 -0.003 0.000 0.344 192 N C 0.358 175.902 175.510 0.057 0.000 1.465 192 N CA 0.138 53.260 53.050 0.119 0.000 0.731 192 N CB 0.680 39.270 38.487 0.173 0.000 1.677 192 N HN 0.918 nan 8.380 nan 0.000 0.631 193 G N -0.417 108.429 108.800 0.076 0.000 2.782 193 G HA2 -0.195 3.763 3.960 -0.003 0.000 0.228 193 G HA3 -0.195 3.763 3.960 -0.003 0.000 0.228 193 G C -0.936 173.974 174.900 0.017 0.000 1.372 193 G CA -0.122 45.000 45.100 0.036 0.000 0.862 193 G HN 0.883 nan 8.290 nan 0.000 0.547 194 K N 0.448 120.842 120.400 -0.010 0.000 2.349 194 K HA 0.562 4.880 4.320 -0.003 0.000 0.289 194 K C 0.486 177.041 176.600 -0.076 0.000 1.064 194 K CA 0.454 56.717 56.287 -0.040 0.000 0.947 194 K CB 0.034 32.514 32.500 -0.033 0.000 1.007 194 K HN 1.743 nan 8.250 nan 0.000 0.478 195 G N 1.810 110.541 108.800 -0.115 0.000 2.633 195 G HA2 0.297 4.255 3.960 -0.003 0.000 0.299 195 G HA3 0.297 4.255 3.960 -0.003 0.000 0.299 195 G C -1.377 173.377 174.900 -0.242 0.000 1.501 195 G CA -0.605 44.397 45.100 -0.163 0.000 0.887 195 G HN 0.641 nan 8.290 nan 0.000 0.561 196 S N 0.788 116.319 115.700 -0.281 0.000 2.745 196 S HA 0.811 5.279 4.470 -0.003 0.000 0.306 196 S C 0.010 174.338 174.600 -0.453 0.000 1.137 196 S CA -0.964 56.988 58.200 -0.414 0.000 0.900 196 S CB 1.175 64.201 63.200 -0.290 0.000 1.176 196 S HN 0.758 nan 8.310 nan 0.000 0.520 197 L N 1.663 122.533 121.223 -0.588 0.000 2.525 197 L HA 0.181 4.519 4.340 -0.003 0.000 0.278 197 L C 0.764 177.402 176.870 -0.386 0.000 1.218 197 L CA -0.102 54.390 54.840 -0.579 0.000 0.878 197 L CB 0.101 41.663 42.059 -0.828 0.000 1.127 197 L HN 0.684 nan 8.230 nan 0.000 0.492 198 K N 2.130 122.216 120.400 -0.523 0.000 2.397 198 K HA 0.251 4.569 4.320 -0.003 0.000 0.265 198 K C 0.883 177.304 176.600 -0.299 0.000 0.982 198 K CA 0.635 56.559 56.287 -0.604 0.000 0.931 198 K CB 0.179 31.940 32.500 -1.233 0.000 0.943 198 K HN 0.840 nan 8.250 nan 0.000 0.501 199 G N 0.871 109.602 108.800 -0.115 0.000 2.527 199 G HA2 -0.313 3.645 3.960 -0.003 0.000 0.268 199 G HA3 -0.313 3.645 3.960 -0.003 0.000 0.268 199 G C -0.916 174.053 174.900 0.115 0.000 1.175 199 G CA 0.431 45.610 45.100 0.132 0.000 0.962 199 G HN 0.779 nan 8.290 nan 0.000 0.560 200 Q N -0.811 119.047 119.800 0.096 0.000 2.418 200 Q HA 0.660 4.998 4.340 -0.003 0.000 0.282 200 Q C -3.235 172.411 176.000 -0.589 0.000 1.044 200 Q CA -2.011 53.660 55.803 -0.221 0.000 0.813 200 Q CB 2.625 31.275 28.738 -0.147 0.000 1.428 200 Q HN 0.441 nan 8.270 nan 0.000 0.402 201 P HA 0.027 nan 4.420 nan 0.000 0.265 201 P C 0.589 177.804 177.300 -0.142 0.000 1.187 201 P CA 2.128 64.930 63.100 -0.497 0.000 0.766 201 P CB 0.397 32.047 31.700 -0.082 0.000 0.820 202 G N 1.165 109.973 108.800 0.014 0.000 2.213 202 G HA2 -0.188 3.771 3.960 -0.003 0.000 0.236 202 G HA3 -0.188 3.771 3.960 -0.003 0.000 0.236 202 G C 0.105 175.052 174.900 0.078 0.000 0.991 202 G CA 0.349 45.477 45.100 0.046 0.000 0.629 202 G HN 0.727 nan 8.290 nan 0.000 0.517 203 D N -0.219 120.252 120.400 0.119 0.000 2.529 203 D HA 0.527 5.165 4.640 -0.003 0.000 0.273 203 D C 1.731 178.140 176.300 0.182 0.000 1.197 203 D CA -0.507 53.576 54.000 0.138 0.000 1.070 203 D CB 0.353 41.247 40.800 0.156 0.000 1.134 203 D HN 0.251 nan 8.370 nan 0.000 0.590 204 I N -0.682 119.910 120.570 0.036 0.000 2.286 204 I HA -0.278 3.890 4.170 -0.003 0.000 0.248 204 I C 1.566 177.767 176.117 0.140 0.000 1.115 204 I CA 1.100 62.380 61.300 -0.034 0.000 1.392 204 I CB -0.087 37.708 38.000 -0.343 0.000 1.065 204 I HN 0.348 nan 8.210 nan 0.000 0.418 205 Y N -0.027 120.466 120.300 0.322 0.000 2.181 205 Y HA -0.287 4.260 4.550 -0.004 0.000 0.288 205 Y C 2.506 178.556 175.900 0.250 0.000 1.146 205 Y CA 1.936 60.229 58.100 0.322 0.000 1.164 205 Y CB -0.636 37.935 38.460 0.185 0.000 0.982 205 Y HN 0.270 nan 8.280 nan 0.000 0.515 206 H N -1.005 118.320 119.070 0.425 0.000 2.436 206 H HA -0.114 4.441 4.556 -0.003 0.000 0.294 206 H C 2.177 177.797 175.328 0.487 0.000 1.048 206 H CA 1.365 57.692 56.048 0.466 0.000 1.353 206 H CB -0.159 29.878 29.762 0.458 0.000 1.414 206 H HN 0.340 nan 8.280 nan 0.000 0.536 207 Q N 0.365 120.438 119.800 0.453 0.000 2.084 207 Q HA -0.169 4.169 4.340 -0.003 0.000 0.202 207 Q C 1.521 177.726 176.000 0.342 0.000 0.978 207 Q CA 2.084 58.077 55.803 0.316 0.000 0.844 207 Q CB 0.008 28.875 28.738 0.214 0.000 0.898 207 Q HN 0.412 nan 8.270 nan 0.000 0.426 208 T N 0.488 115.283 114.554 0.402 0.000 2.708 208 T HA -0.192 4.156 4.350 -0.003 0.000 0.266 208 T C 1.133 176.133 174.700 0.499 0.000 1.037 208 T CA 1.251 63.616 62.100 0.442 0.000 1.146 208 T CB -0.621 68.566 68.868 0.532 0.000 0.865 208 T HN 0.516 nan 8.240 nan 0.000 0.435 209 W N 1.744 123.195 121.300 0.252 0.000 2.335 209 W HA -0.203 4.455 4.660 -0.003 0.000 0.311 209 W C 2.591 179.420 176.519 0.517 0.000 1.213 209 W CA 0.999 58.494 57.345 0.250 0.000 1.274 209 W CB -0.260 29.238 29.460 0.063 0.000 1.148 209 W HN 0.302 nan 8.180 nan 0.000 0.498 210 A N 0.895 123.974 122.820 0.431 0.000 1.908 210 A HA -0.247 4.071 4.320 -0.003 0.000 0.218 210 A C 1.815 179.486 177.584 0.145 0.000 1.181 210 A CA 1.948 54.062 52.037 0.129 0.000 0.627 210 A CB -0.809 18.197 19.000 0.010 0.000 0.818 210 A HN 0.220 nan 8.150 nan 0.000 0.445 211 R N -1.590 119.036 120.500 0.210 0.000 2.096 211 R HA -0.097 4.241 4.340 -0.003 0.000 0.235 211 R C 1.894 178.300 176.300 0.177 0.000 1.127 211 R CA 1.442 57.643 56.100 0.169 0.000 0.968 211 R CB -1.252 29.163 30.300 0.192 0.000 0.861 211 R HN 0.768 nan 8.270 nan 0.000 0.440 212 Y N -0.254 120.120 120.300 0.124 0.000 2.207 212 Y HA -0.254 4.294 4.550 -0.003 0.000 0.287 212 Y C 1.565 177.457 175.900 -0.014 0.000 1.156 212 Y CA 1.424 59.589 58.100 0.109 0.000 1.182 212 Y CB -0.185 38.412 38.460 0.228 0.000 0.979 212 Y HN -0.034 nan 8.280 nan 0.000 0.521 213 F N -0.903 119.033 119.950 -0.024 0.000 2.102 213 F HA -0.245 4.280 4.527 -0.003 0.000 0.298 213 F C 2.359 178.092 175.800 -0.112 0.000 1.105 213 F CA 1.722 59.655 58.000 -0.112 0.000 1.239 213 F CB -0.963 37.908 39.000 -0.216 0.000 0.991 213 F HN -0.136 nan 8.300 nan 0.000 0.474 214 V N -0.015 119.951 119.914 0.087 0.000 2.407 214 V HA -0.262 3.856 4.120 -0.003 0.000 0.248 214 V C 2.365 178.384 176.094 -0.125 0.000 1.055 214 V CA 1.597 63.907 62.300 0.016 0.000 1.049 214 V CB -0.535 31.333 31.823 0.075 0.000 0.662 214 V HN 0.255 nan 8.190 nan 0.000 0.455 215 K N -0.645 119.578 120.400 -0.296 0.000 2.097 215 K HA -0.158 4.160 4.320 -0.003 0.000 0.205 215 K C 2.116 178.272 176.600 -0.739 0.000 1.050 215 K CA 1.554 57.429 56.287 -0.688 0.000 0.938 215 K CB -0.454 31.248 32.500 -1.330 0.000 0.718 215 K HN 0.495 nan 8.250 nan 0.000 0.442 216 F N 2.296 121.853 119.950 -0.655 0.000 2.095 216 F HA -0.206 4.320 4.527 -0.003 0.000 0.298 216 F C 1.941 177.605 175.800 -0.228 0.000 1.104 216 F CA 1.391 59.227 58.000 -0.274 0.000 1.232 216 F CB -0.367 38.487 39.000 -0.244 0.000 0.987 216 F HN -0.128 nan 8.300 nan 0.000 0.475 217 L N -0.064 120.911 121.223 -0.414 0.000 2.056 217 L HA -0.207 4.132 4.340 -0.003 0.000 0.207 217 L C 2.209 178.855 176.870 -0.374 0.000 1.078 217 L CA 1.319 55.794 54.840 -0.609 0.000 0.749 217 L CB -0.982 40.488 42.059 -0.983 0.000 0.901 217 L HN 0.082 nan 8.230 nan 0.000 0.433 218 D N 0.565 120.861 120.400 -0.173 0.000 2.116 218 D HA -0.215 4.423 4.640 -0.003 0.000 0.193 218 D C 2.237 178.540 176.300 0.005 0.000 0.998 218 D CA 1.758 55.788 54.000 0.051 0.000 0.836 218 D CB -0.135 40.676 40.800 0.019 0.000 0.951 218 D HN 0.341 nan 8.370 nan 0.000 0.449 219 A N -0.187 122.604 122.820 -0.048 0.000 1.898 219 A HA -0.189 4.129 4.320 -0.003 0.000 0.216 219 A C 2.126 179.773 177.584 0.105 0.000 1.181 219 A CA 1.068 53.134 52.037 0.049 0.000 0.620 219 A CB -0.998 18.063 19.000 0.102 0.000 0.819 219 A HN 0.211 nan 8.150 nan 0.000 0.442 220 Y N 0.008 120.184 120.300 -0.207 0.000 2.224 220 Y HA -0.085 4.463 4.550 -0.003 0.000 0.289 220 Y C 2.911 178.824 175.900 0.021 0.000 1.146 220 Y CA 0.716 58.749 58.100 -0.110 0.000 1.182 220 Y CB -0.606 37.737 38.460 -0.195 0.000 0.983 220 Y HN 0.332 nan 8.280 nan 0.000 0.524 221 A N 0.051 122.959 122.820 0.147 0.000 1.940 221 A HA -0.240 4.078 4.320 -0.003 0.000 0.219 221 A C 2.062 179.688 177.584 0.070 0.000 1.176 221 A CA 1.908 54.021 52.037 0.126 0.000 0.631 221 A CB -0.655 18.452 19.000 0.178 0.000 0.814 221 A HN 0.541 nan 8.150 nan 0.000 0.446 222 E N -1.207 119.017 120.200 0.039 0.000 2.209 222 E HA -0.207 4.142 4.350 -0.003 0.000 0.196 222 E C 1.036 177.537 176.600 -0.165 0.000 0.993 222 E CA 1.285 57.648 56.400 -0.062 0.000 0.819 222 E CB -0.194 29.447 29.700 -0.099 0.000 0.745 222 E HN 0.850 nan 8.360 nan 0.000 0.477 223 H N -0.179 118.865 119.070 -0.044 0.000 2.524 223 H HA 0.140 4.694 4.556 -0.003 0.000 0.280 223 H C -0.257 175.124 175.328 0.088 0.000 1.018 223 H CA 0.070 56.102 56.048 -0.026 0.000 1.165 223 H CB 0.461 30.136 29.762 -0.145 0.000 1.411 223 H HN -0.095 nan 8.280 nan 0.000 0.569 224 K N -0.207 120.271 120.400 0.129 0.000 3.192 224 K HA -0.150 4.169 4.320 -0.003 0.000 0.278 224 K C -1.007 175.671 176.600 0.131 0.000 1.164 224 K CA 0.367 56.736 56.287 0.137 0.000 0.816 224 K CB -2.235 30.353 32.500 0.146 0.000 1.256 224 K HN 0.376 nan 8.250 nan 0.000 0.497 225 L N 0.313 121.572 121.223 0.060 0.000 2.365 225 L HA 0.442 4.780 4.340 -0.003 0.000 0.273 225 L C 0.288 177.168 176.870 0.017 0.000 1.000 225 L CA -0.624 54.191 54.840 -0.041 0.000 0.819 225 L CB 2.165 44.150 42.059 -0.123 0.000 1.284 225 L HN 0.083 nan 8.230 nan 0.000 0.418 226 Q N 1.790 121.550 119.800 -0.066 0.000 2.365 226 Q HA 0.540 4.878 4.340 -0.003 0.000 0.269 226 Q C -1.696 174.234 176.000 -0.117 0.000 1.061 226 Q CA -0.689 55.126 55.803 0.020 0.000 0.816 226 Q CB 2.191 30.950 28.738 0.035 0.000 1.325 226 Q HN 0.410 nan 8.270 nan 0.000 0.446 227 F N 1.745 121.719 119.950 0.040 0.000 2.399 227 F HA 0.219 4.745 4.527 -0.003 0.000 0.334 227 F C 0.600 176.454 175.800 0.090 0.000 1.097 227 F CA -0.557 57.480 58.000 0.062 0.000 1.076 227 F CB 0.740 39.751 39.000 0.018 0.000 1.162 227 F HN 0.765 nan 8.300 nan 0.000 0.495 228 W N 3.596 124.952 121.300 0.094 0.000 2.407 228 W HA 0.352 5.010 4.660 -0.003 0.000 0.305 228 W C -0.134 176.399 176.519 0.023 0.000 1.196 228 W CA 1.150 58.508 57.345 0.022 0.000 1.311 228 W CB -0.097 29.344 29.460 -0.032 0.000 1.135 228 W HN 0.432 nan 8.180 nan 0.000 0.514 229 A N 0.138 122.702 122.820 -0.426 0.000 2.606 229 A HA 0.609 4.927 4.320 -0.003 0.000 0.293 229 A C -1.258 176.166 177.584 -0.268 0.000 1.082 229 A CA -0.215 51.390 52.037 -0.720 0.000 0.685 229 A CB 1.027 19.086 19.000 -1.568 0.000 1.284 229 A HN 0.560 nan 8.150 nan 0.000 0.408 230 V N -1.177 118.591 119.914 -0.243 0.000 2.914 230 V HA 0.942 5.060 4.120 -0.003 0.000 0.314 230 V C -0.009 176.018 176.094 -0.111 0.000 1.084 230 V CA 0.023 62.249 62.300 -0.123 0.000 0.963 230 V CB 1.377 33.188 31.823 -0.020 0.000 1.025 230 V HN 1.580 nan 8.190 nan 0.000 0.432 231 T N 0.318 114.846 114.554 -0.044 0.000 2.928 231 T HA 0.709 5.057 4.350 -0.003 0.000 0.284 231 T C 1.126 175.854 174.700 0.047 0.000 1.008 231 T CA -0.023 62.050 62.100 -0.044 0.000 1.057 231 T CB 1.636 70.464 68.868 -0.066 0.000 1.018 231 T HN 1.606 nan 8.240 nan 0.000 0.493 232 A N 0.727 123.530 122.820 -0.028 0.000 2.067 232 A HA 0.291 4.609 4.320 -0.003 0.000 0.219 232 A C 0.836 178.468 177.584 0.080 0.000 1.158 232 A CA 1.244 53.270 52.037 -0.019 0.000 0.661 232 A CB -0.767 18.156 19.000 -0.128 0.000 0.801 232 A HN 1.015 nan 8.150 nan 0.000 0.452 233 E N -1.761 118.434 120.200 -0.009 0.000 2.857 233 E HA 0.159 4.507 4.350 -0.003 0.000 0.309 233 E C -1.331 175.140 176.600 -0.215 0.000 1.113 233 E CA -0.393 55.992 56.400 -0.025 0.000 0.906 233 E CB -0.202 29.461 29.700 -0.061 0.000 1.191 233 E HN 0.182 nan 8.360 nan 0.000 0.449 234 N N 2.877 121.346 118.700 -0.385 0.000 2.497 234 N HA 0.147 4.885 4.740 -0.003 0.000 0.268 234 N C -0.762 174.420 175.510 -0.546 0.000 1.171 234 N CA 0.570 53.214 53.050 -0.676 0.000 0.948 234 N CB 0.418 37.982 38.487 -1.538 0.000 1.069 234 N HN 0.580 nan 8.380 nan 0.000 0.460 235 E N 1.714 121.592 120.200 -0.538 0.000 2.160 235 E HA -0.194 4.154 4.350 -0.003 0.000 0.180 235 E C -1.655 174.750 176.600 -0.325 0.000 1.452 235 E CA 0.031 56.159 56.400 -0.454 0.000 0.683 235 E CB -0.505 28.980 29.700 -0.357 0.000 1.072 235 E HN 0.686 nan 8.360 nan 0.000 0.332 236 P HA -0.255 nan 4.420 nan 0.000 0.218 236 P C 1.485 178.783 177.300 -0.004 0.000 1.148 236 P CA 1.828 64.929 63.100 0.002 0.000 0.822 236 P CB 0.040 31.833 31.700 0.154 0.000 0.784 237 S N 0.004 115.632 115.700 -0.120 0.000 2.419 237 S HA -0.076 4.392 4.470 -0.003 0.000 0.233 237 S C 2.196 176.688 174.600 -0.179 0.000 1.016 237 S CA 1.030 59.189 58.200 -0.068 0.000 0.974 237 S CB -1.271 61.867 63.200 -0.104 0.000 0.786 237 S HN 0.151 nan 8.310 nan 0.000 0.492 238 A N 1.901 124.508 122.820 -0.356 0.000 1.902 238 A HA 0.213 4.531 4.320 -0.003 0.000 0.217 238 A C 2.283 179.511 177.584 -0.594 0.000 1.181 238 A CA 1.371 52.959 52.037 -0.749 0.000 0.623 238 A CB -1.574 16.718 19.000 -1.179 0.000 0.818 238 A HN 0.695 nan 8.150 nan 0.000 0.443 239 G N -0.788 107.815 108.800 -0.329 0.000 2.956 239 G HA2 0.216 4.174 3.960 -0.003 0.000 0.207 239 G HA3 0.216 4.174 3.960 -0.003 0.000 0.207 239 G C 1.035 175.858 174.900 -0.129 0.000 1.162 239 G CA 0.334 45.319 45.100 -0.192 0.000 0.796 239 G HN 0.451 nan 8.290 nan 0.000 0.527 240 L N -0.466 120.692 121.223 -0.107 0.000 2.592 240 L HA 0.356 4.694 4.340 -0.003 0.000 0.227 240 L C 0.315 177.165 176.870 -0.034 0.000 1.127 240 L CA -0.232 54.578 54.840 -0.049 0.000 0.884 240 L CB 0.148 42.206 42.059 -0.001 0.000 1.065 240 L HN 0.113 nan 8.230 nan 0.000 0.457 241 L N -0.019 121.179 121.223 -0.041 0.000 2.305 241 L HA 0.342 4.680 4.340 -0.003 0.000 0.284 241 L C 0.492 177.385 176.870 0.039 0.000 1.013 241 L CA -0.213 54.634 54.840 0.013 0.000 0.819 241 L CB 1.661 43.750 42.059 0.049 0.000 1.227 241 L HN -0.118 nan 8.230 nan 0.000 0.417 242 S N 4.156 119.867 115.700 0.019 0.000 2.575 242 S HA 0.369 4.837 4.470 -0.003 0.000 0.295 242 S C 1.310 175.915 174.600 0.007 0.000 1.267 242 S CA 0.736 58.939 58.200 0.006 0.000 1.074 242 S CB -0.344 62.853 63.200 -0.005 0.000 0.829 242 S HN 1.712 nan 8.310 nan 0.000 0.497 243 G N 3.502 112.298 108.800 -0.006 0.000 2.184 243 G HA2 -0.320 3.638 3.960 -0.003 0.000 0.264 243 G HA3 -0.320 3.638 3.960 -0.003 0.000 0.264 243 G C 0.042 174.898 174.900 -0.073 0.000 0.975 243 G CA 0.354 45.428 45.100 -0.044 0.000 0.642 243 G HN 1.070 nan 8.290 nan 0.000 0.536 244 Y N 2.477 122.699 120.300 -0.131 0.000 2.865 244 Y HA 0.239 4.788 4.550 -0.003 0.000 0.338 244 Y C -0.225 175.514 175.900 -0.270 0.000 1.269 244 Y CA -0.221 57.767 58.100 -0.186 0.000 1.585 244 Y CB 0.932 39.325 38.460 -0.111 0.000 1.224 244 Y HN 0.113 nan 8.280 nan 0.000 0.554 245 P HA -0.039 nan 4.420 nan 0.000 0.231 245 P C -0.576 176.300 177.300 -0.708 0.000 1.168 245 P CA 0.940 63.496 63.100 -0.907 0.000 0.779 245 P CB 0.188 31.168 31.700 -1.200 0.000 0.844 246 F N -0.444 119.326 119.950 -0.299 0.000 2.509 246 F HA 0.447 4.972 4.527 -0.003 0.000 0.334 246 F C 0.953 176.938 175.800 0.308 0.000 1.060 246 F CA -1.717 56.293 58.000 0.018 0.000 0.997 246 F CB 0.332 39.367 39.000 0.059 0.000 1.271 246 F HN -0.405 nan 8.300 nan 0.000 0.488 247 Q N 1.035 121.187 119.800 0.588 0.000 2.315 247 Q HA 0.317 4.655 4.340 -0.003 0.000 0.289 247 Q C -0.525 175.742 176.000 0.445 0.000 1.044 247 Q CA 0.228 56.284 55.803 0.420 0.000 0.920 247 Q CB 0.545 29.472 28.738 0.315 0.000 1.214 247 Q HN 0.721 nan 8.270 nan 0.000 0.392 248 C N 0.367 119.804 119.300 0.228 0.000 3.306 248 C HA 0.873 5.331 4.460 -0.003 0.000 0.335 248 C C -1.785 173.170 174.990 -0.058 0.000 1.382 248 C CA -1.230 57.845 59.018 0.095 0.000 1.254 248 C CB 0.709 28.487 27.740 0.064 0.000 1.555 248 C HN 0.803 nan 8.230 nan 0.000 0.463 249 L N 1.630 122.781 121.223 -0.120 0.000 2.580 249 L HA 0.720 5.058 4.340 -0.003 0.000 0.266 249 L C 0.067 176.800 176.870 -0.229 0.000 0.955 249 L CA 0.388 55.085 54.840 -0.239 0.000 0.886 249 L CB 1.360 43.250 42.059 -0.283 0.000 1.263 249 L HN 1.397 nan 8.230 nan 0.000 0.406 250 G N 3.544 112.146 108.800 -0.331 0.000 2.370 250 G HA2 0.517 4.475 3.960 -0.003 0.000 0.272 250 G HA3 0.517 4.475 3.960 -0.003 0.000 0.272 250 G C -1.205 173.457 174.900 -0.397 0.000 1.208 250 G CA -0.060 44.904 45.100 -0.226 0.000 0.856 250 G HN 0.366 nan 8.290 nan 0.000 0.500 251 F N 0.632 120.538 119.950 -0.074 0.000 2.547 251 F HA 0.406 4.931 4.527 -0.003 0.000 0.316 251 F C 0.979 176.850 175.800 0.118 0.000 1.121 251 F CA -0.850 57.114 58.000 -0.060 0.000 0.911 251 F CB 2.181 41.111 39.000 -0.117 0.000 1.179 251 F HN 0.618 nan 8.300 nan 0.000 0.443 252 T N -0.201 114.495 114.554 0.238 0.000 2.813 252 T HA 0.183 4.531 4.350 -0.003 0.000 0.297 252 T C -1.765 172.736 174.700 -0.332 0.000 1.036 252 T CA -1.398 60.736 62.100 0.057 0.000 1.044 252 T CB 1.078 69.961 68.868 0.025 0.000 0.993 252 T HN 0.387 nan 8.240 nan 0.000 0.535 253 P HA -0.056 nan 4.420 nan 0.000 0.218 253 P C 0.992 177.935 177.300 -0.595 0.000 1.149 253 P CA 1.074 63.272 63.100 -1.505 0.000 0.817 253 P CB 0.110 30.681 31.700 -1.881 0.000 0.785 254 E N -1.157 118.845 120.200 -0.329 0.000 2.072 254 E HA -0.179 4.170 4.350 -0.003 0.000 0.191 254 E C 2.218 178.826 176.600 0.013 0.000 0.985 254 E CA 0.979 57.294 56.400 -0.141 0.000 0.801 254 E CB -1.102 28.540 29.700 -0.096 0.000 0.750 254 E HN 0.500 nan 8.360 nan 0.000 0.452 255 H N -0.039 119.012 119.070 -0.031 0.000 2.321 255 H HA -0.125 4.429 4.556 -0.002 0.000 0.300 255 H C 2.244 177.733 175.328 0.269 0.000 1.087 255 H CA 1.426 57.556 56.048 0.136 0.000 1.319 255 H CB 0.280 30.148 29.762 0.177 0.000 1.379 255 H HN 0.140 nan 8.280 nan 0.000 0.501 256 Q N 0.740 120.678 119.800 0.230 0.000 2.050 256 Q HA -0.209 4.129 4.340 -0.003 0.000 0.202 256 Q C 2.571 178.605 176.000 0.057 0.000 0.980 256 Q CA 1.595 57.427 55.803 0.048 0.000 0.840 256 Q CB -0.074 28.625 28.738 -0.066 0.000 0.898 256 Q HN 0.362 nan 8.270 nan 0.000 0.424 257 R N 0.092 120.578 120.500 -0.024 0.000 2.097 257 R HA -0.213 4.125 4.340 -0.003 0.000 0.236 257 R C 1.405 177.721 176.300 0.027 0.000 1.135 257 R CA 2.227 58.304 56.100 -0.038 0.000 0.934 257 R CB -0.324 29.922 30.300 -0.090 0.000 0.846 257 R HN 0.389 nan 8.270 nan 0.000 0.431 258 D N -0.248 120.202 120.400 0.084 0.000 2.144 258 D HA -0.149 4.489 4.640 -0.003 0.000 0.200 258 D C 1.648 178.045 176.300 0.162 0.000 0.978 258 D CA 0.862 54.917 54.000 0.092 0.000 0.833 258 D CB -0.444 40.396 40.800 0.067 0.000 0.961 258 D HN 0.200 nan 8.370 nan 0.000 0.470 259 F N 1.821 121.847 119.950 0.127 0.000 2.095 259 F HA -0.173 4.352 4.527 -0.004 0.000 0.298 259 F C 2.146 177.943 175.800 -0.004 0.000 1.104 259 F CA 1.102 59.195 58.000 0.155 0.000 1.232 259 F CB -0.535 38.647 39.000 0.303 0.000 0.987 259 F HN -0.136 nan 8.300 nan 0.000 0.475 260 I N 0.077 120.522 120.570 -0.208 0.000 2.179 260 I HA -0.319 3.849 4.170 -0.003 0.000 0.242 260 I C 2.681 178.632 176.117 -0.277 0.000 1.088 260 I CA 1.352 62.428 61.300 -0.373 0.000 1.357 260 I CB -0.955 36.930 38.000 -0.192 0.000 1.051 260 I HN 0.243 nan 8.210 nan 0.000 0.409 261 A N 0.688 123.460 122.820 -0.079 0.000 1.898 261 A HA -0.171 4.147 4.320 -0.003 0.000 0.216 261 A C 2.382 179.943 177.584 -0.039 0.000 1.181 261 A CA 1.515 53.570 52.037 0.030 0.000 0.620 261 A CB -0.449 18.579 19.000 0.048 0.000 0.819 261 A HN 0.326 nan 8.150 nan 0.000 0.442 262 R N -1.148 119.313 120.500 -0.064 0.000 2.112 262 R HA 0.053 4.391 4.340 -0.003 0.000 0.216 262 R C 0.940 177.182 176.300 -0.096 0.000 1.080 262 R CA 1.318 57.392 56.100 -0.043 0.000 0.996 262 R CB 0.033 30.338 30.300 0.009 0.000 0.902 262 R HN 0.544 nan 8.270 nan 0.000 0.449 263 D N -0.499 119.786 120.400 -0.191 0.000 3.208 263 D HA -0.034 4.605 4.640 -0.003 0.000 0.281 263 D C 1.629 177.649 176.300 -0.466 0.000 1.328 263 D CA 0.064 53.945 54.000 -0.198 0.000 1.102 263 D CB -0.275 40.573 40.800 0.080 0.000 1.267 263 D HN -0.062 nan 8.370 nan 0.000 0.405 264 L N 2.064 122.751 121.223 -0.895 0.000 2.005 264 L HA 0.096 4.434 4.340 -0.003 0.000 0.207 264 L C 2.215 178.630 176.870 -0.759 0.000 1.072 264 L CA 2.293 56.547 54.840 -0.977 0.000 0.744 264 L CB -1.062 40.132 42.059 -1.443 0.000 0.895 264 L HN 0.110 nan 8.230 nan 0.000 0.433 265 G N -0.324 107.947 108.800 -0.881 0.000 2.480 265 G HA2 -0.225 3.733 3.960 -0.003 0.000 0.216 265 G HA3 -0.225 3.733 3.960 -0.003 0.000 0.216 265 G C -0.594 173.581 174.900 -1.208 0.000 1.200 265 G CA 1.006 45.308 45.100 -1.330 0.000 0.782 265 G HN 0.370 nan 8.290 nan 0.000 0.554 266 P HA -0.048 nan 4.420 nan 0.000 0.215 266 P C 2.060 179.214 177.300 -0.244 0.000 1.153 266 P CA 1.840 64.700 63.100 -0.401 0.000 0.853 266 P CB -0.222 31.337 31.700 -0.235 0.000 0.788 267 T N -0.564 113.832 114.554 -0.263 0.000 2.777 267 T HA -0.070 4.279 4.350 -0.003 0.000 0.266 267 T C 1.759 176.388 174.700 -0.118 0.000 1.040 267 T CA 1.006 63.015 62.100 -0.151 0.000 1.141 267 T CB -0.852 67.933 68.868 -0.137 0.000 0.868 267 T HN 0.050 nan 8.240 nan 0.000 0.444 268 L N 0.658 121.771 121.223 -0.184 0.000 2.056 268 L HA -0.038 4.300 4.340 -0.003 0.000 0.207 268 L C 3.010 179.875 176.870 -0.009 0.000 1.078 268 L CA 1.094 55.880 54.840 -0.090 0.000 0.749 268 L CB -0.589 41.377 42.059 -0.154 0.000 0.901 268 L HN 0.243 nan 8.230 nan 0.000 0.433 269 A N -0.013 122.783 122.820 -0.040 0.000 1.972 269 A HA -0.239 4.079 4.320 -0.003 0.000 0.219 269 A C 1.863 179.465 177.584 0.029 0.000 1.169 269 A CA 1.982 54.052 52.037 0.055 0.000 0.635 269 A CB -0.626 18.441 19.000 0.112 0.000 0.810 269 A HN 0.467 nan 8.150 nan 0.000 0.446 270 N N -0.312 118.385 118.700 -0.006 0.000 2.362 270 N HA 0.037 4.775 4.740 -0.003 0.000 0.204 270 N C 0.195 175.704 175.510 -0.001 0.000 1.166 270 N CA 0.682 53.723 53.050 -0.016 0.000 0.831 270 N CB -0.082 38.392 38.487 -0.022 0.000 1.008 270 N HN 0.500 nan 8.380 nan 0.000 0.472 271 S N -2.613 113.106 115.700 0.032 0.000 2.715 271 S HA 0.271 4.739 4.470 -0.003 0.000 0.307 271 S C 1.256 175.873 174.600 0.027 0.000 1.119 271 S CA -0.127 58.084 58.200 0.018 0.000 0.937 271 S CB 0.675 63.909 63.200 0.056 0.000 1.150 271 S HN 0.188 nan 8.310 nan 0.000 0.521 272 T N -1.533 112.927 114.554 -0.156 0.000 3.025 272 T HA -0.059 4.289 4.350 -0.003 0.000 0.270 272 T C 0.742 175.225 174.700 -0.361 0.000 1.126 272 T CA 1.003 62.961 62.100 -0.237 0.000 1.105 272 T CB -0.795 67.859 68.868 -0.355 0.000 0.884 272 T HN 0.753 nan 8.240 nan 0.000 0.522 273 H N 1.110 120.185 119.070 0.007 0.000 2.519 273 H HA 0.141 4.695 4.556 -0.003 0.000 0.289 273 H C 1.893 177.162 175.328 -0.098 0.000 1.040 273 H CA 0.446 56.459 56.048 -0.058 0.000 1.165 273 H CB -0.523 29.227 29.762 -0.020 0.000 1.462 273 H HN 0.751 nan 8.280 nan 0.000 0.555 274 H N -0.204 118.881 119.070 0.025 0.000 2.518 274 H HA -0.035 4.519 4.556 -0.003 0.000 0.289 274 H C 0.584 175.915 175.328 0.005 0.000 1.051 274 H CA 0.622 56.675 56.048 0.010 0.000 1.280 274 H CB 0.122 29.881 29.762 -0.005 0.000 1.380 274 H HN 0.134 nan 8.280 nan 0.000 0.566 275 N N 1.059 119.506 118.700 -0.422 0.000 2.422 275 N HA 0.031 4.769 4.740 -0.003 0.000 0.181 275 N C 0.157 175.592 175.510 -0.126 0.000 1.080 275 N CA 0.097 53.010 53.050 -0.228 0.000 0.893 275 N CB 0.540 38.866 38.487 -0.268 0.000 0.973 275 N HN 0.097 nan 8.380 nan 0.000 0.456 276 V N 3.173 123.032 119.914 -0.092 0.000 2.585 276 V HA 0.043 4.161 4.120 -0.003 0.000 0.296 276 V C 0.812 176.795 176.094 -0.185 0.000 1.035 276 V CA -0.344 61.896 62.300 -0.100 0.000 1.084 276 V CB 0.509 32.314 31.823 -0.031 0.000 0.953 276 V HN 0.081 nan 8.190 nan 0.000 0.483 277 R N 3.309 123.604 120.500 -0.343 0.000 2.594 277 R HA 0.405 4.743 4.340 -0.003 0.000 0.272 277 R C -0.479 175.642 176.300 -0.299 0.000 1.074 277 R CA -0.725 55.141 56.100 -0.390 0.000 1.105 277 R CB 0.496 30.395 30.300 -0.668 0.000 1.008 277 R HN 0.524 nan 8.270 nan 0.000 0.472 278 L N 3.328 124.448 121.223 -0.172 0.000 2.296 278 L HA 0.424 4.762 4.340 -0.003 0.000 0.286 278 L C -1.017 175.779 176.870 -0.124 0.000 1.023 278 L CA -0.229 54.514 54.840 -0.161 0.000 0.812 278 L CB 1.074 43.046 42.059 -0.145 0.000 1.223 278 L HN 0.430 nan 8.230 nan 0.000 0.421 279 L N 5.997 127.126 121.223 -0.157 0.000 2.307 279 L HA 0.569 4.908 4.340 -0.003 0.000 0.284 279 L C 0.279 177.091 176.870 -0.097 0.000 1.023 279 L CA -0.680 54.089 54.840 -0.118 0.000 0.810 279 L CB 1.619 43.594 42.059 -0.139 0.000 1.231 279 L HN 0.755 nan 8.230 nan 0.000 0.423 280 M N 1.992 121.548 119.600 -0.074 0.000 2.513 280 M HA 0.537 5.015 4.480 -0.003 0.000 0.291 280 M C 0.538 176.797 176.300 -0.068 0.000 1.190 280 M CA -0.321 54.945 55.300 -0.057 0.000 0.960 280 M CB 1.597 34.181 32.600 -0.028 0.000 1.517 280 M HN 0.512 nan 8.290 nan 0.000 0.499 281 L N 0.267 121.454 121.223 -0.061 0.000 3.838 281 L HA -0.334 4.004 4.340 -0.003 0.000 0.053 281 L C 0.270 176.929 176.870 -0.352 0.000 4.244 281 L CA 2.946 57.641 54.840 -0.241 0.000 0.724 281 L CB -1.855 40.068 42.059 -0.227 0.000 3.466 281 L HN 1.170 nan 8.230 nan 0.000 0.932 282 D N 0.676 120.896 120.400 -0.300 0.000 2.697 282 D HA -0.095 4.543 4.640 -0.003 0.000 0.238 282 D C -0.370 175.446 176.300 -0.808 0.000 1.152 282 D CA 1.439 55.201 54.000 -0.397 0.000 0.666 282 D CB -0.739 39.889 40.800 -0.287 0.000 1.037 282 D HN 0.692 nan 8.370 nan 0.000 0.423 283 D N -0.899 119.065 120.400 -0.726 0.000 2.677 283 D HA 0.149 4.788 4.640 -0.003 0.000 0.298 283 D C -0.424 175.633 176.300 -0.406 0.000 1.250 283 D CA -0.444 53.138 54.000 -0.697 0.000 0.888 283 D CB 0.741 41.135 40.800 -0.676 0.000 1.397 283 D HN -0.115 nan 8.370 nan 0.000 0.461 284 Q N 0.791 120.435 119.800 -0.260 0.000 2.315 284 Q HA 0.040 4.378 4.340 -0.003 0.000 0.289 284 Q C 1.090 177.003 176.000 -0.144 0.000 1.044 284 Q CA 0.359 56.096 55.803 -0.111 0.000 0.920 284 Q CB 0.298 29.003 28.738 -0.055 0.000 1.214 284 Q HN 0.515 nan 8.270 nan 0.000 0.392 285 R N 1.553 122.005 120.500 -0.079 0.000 2.235 285 R HA -0.121 4.218 4.340 -0.003 0.000 0.213 285 R C 1.614 177.875 176.300 -0.065 0.000 1.059 285 R CA 1.074 57.131 56.100 -0.071 0.000 0.997 285 R CB -0.641 29.638 30.300 -0.035 0.000 0.884 285 R HN 0.498 nan 8.270 nan 0.000 0.462 286 L N -0.685 120.492 121.223 -0.076 0.000 2.349 286 L HA -0.013 4.325 4.340 -0.003 0.000 0.220 286 L C 1.669 178.521 176.870 -0.031 0.000 1.130 286 L CA 1.450 56.252 54.840 -0.063 0.000 0.791 286 L CB -0.456 41.551 42.059 -0.087 0.000 0.918 286 L HN 0.114 nan 8.230 nan 0.000 0.444 287 L N -0.382 120.795 121.223 -0.077 0.000 2.552 287 L HA 0.143 4.481 4.340 -0.003 0.000 0.227 287 L C 0.692 177.627 176.870 0.108 0.000 1.146 287 L CA 0.061 54.874 54.840 -0.044 0.000 0.858 287 L CB -0.220 41.574 42.059 -0.441 0.000 0.969 287 L HN 0.259 nan 8.230 nan 0.000 0.451 288 L N 0.541 121.802 121.223 0.064 0.000 2.334 288 L HA 0.286 4.624 4.340 -0.003 0.000 0.275 288 L C -1.364 175.580 176.870 0.124 0.000 1.036 288 L CA -1.553 53.360 54.840 0.121 0.000 0.807 288 L CB 1.171 43.277 42.059 0.078 0.000 1.231 288 L HN -0.218 nan 8.230 nan 0.000 0.438 289 P HA -0.065 nan 4.420 nan 0.000 0.249 289 P C 0.970 178.420 177.300 0.250 0.000 1.229 289 P CA 0.595 63.819 63.100 0.206 0.000 0.788 289 P CB 0.112 31.932 31.700 0.199 0.000 1.072 290 H N -0.317 118.856 119.070 0.171 0.000 2.289 290 H HA -0.177 4.376 4.556 -0.004 0.000 0.294 290 H C 1.443 176.884 175.328 0.189 0.000 1.095 290 H CA 2.182 58.332 56.048 0.169 0.000 1.256 290 H CB -0.835 29.031 29.762 0.173 0.000 1.359 290 H HN 0.030 nan 8.280 nan 0.000 0.487 291 W N 0.516 121.761 121.300 -0.091 0.000 2.358 291 W HA -0.013 4.646 4.660 -0.002 0.000 0.303 291 W C 2.937 179.341 176.519 -0.191 0.000 1.208 291 W CA 1.966 59.201 57.345 -0.182 0.000 1.274 291 W CB -0.968 28.438 29.460 -0.091 0.000 1.138 291 W HN 0.378 nan 8.180 nan 0.000 0.515 292 A N 0.319 123.190 122.820 0.085 0.000 1.883 292 A HA -0.256 4.062 4.320 -0.003 0.000 0.217 292 A C 1.964 179.387 177.584 -0.268 0.000 1.186 292 A CA 2.173 54.124 52.037 -0.143 0.000 0.624 292 A CB -0.731 18.223 19.000 -0.077 0.000 0.822 292 A HN 0.313 nan 8.150 nan 0.000 0.444 293 K N -0.548 119.858 120.400 0.009 0.000 2.009 293 K HA -0.107 4.211 4.320 -0.003 0.000 0.210 293 K C 1.907 178.457 176.600 -0.085 0.000 1.049 293 K CA 1.573 57.917 56.287 0.096 0.000 0.929 293 K CB -0.502 32.088 32.500 0.150 0.000 0.714 293 K HN 0.299 nan 8.250 nan 0.000 0.440 294 V N 1.012 120.787 119.914 -0.232 0.000 2.287 294 V HA -0.237 3.881 4.120 -0.003 0.000 0.248 294 V C 2.270 178.237 176.094 -0.212 0.000 1.053 294 V CA 1.662 63.799 62.300 -0.272 0.000 1.027 294 V CB -0.343 31.196 31.823 -0.473 0.000 0.646 294 V HN 0.110 nan 8.190 nan 0.000 0.447 295 V N -0.556 119.222 119.914 -0.227 0.000 2.302 295 V HA -0.114 4.004 4.120 -0.003 0.000 0.243 295 V C 2.091 178.074 176.094 -0.185 0.000 1.036 295 V CA 1.595 63.785 62.300 -0.184 0.000 1.020 295 V CB -0.421 31.311 31.823 -0.152 0.000 0.657 295 V HN 0.422 nan 8.190 nan 0.000 0.453 296 L N 0.766 121.815 121.223 -0.290 0.000 2.492 296 L HA -0.024 4.314 4.340 -0.003 0.000 0.223 296 L C 2.333 179.110 176.870 -0.155 0.000 1.132 296 L CA 1.344 55.977 54.840 -0.345 0.000 0.850 296 L CB -0.685 40.881 42.059 -0.822 0.000 0.966 296 L HN 0.551 nan 8.230 nan 0.000 0.454 297 T N -5.114 109.399 114.554 -0.068 0.000 3.129 297 T HA -0.020 4.329 4.350 -0.003 0.000 0.251 297 T C 0.644 175.337 174.700 -0.012 0.000 1.117 297 T CA -0.271 61.845 62.100 0.026 0.000 1.034 297 T CB -0.138 68.772 68.868 0.070 0.000 0.968 297 T HN 0.011 nan 8.240 nan 0.000 0.526 298 D N 2.537 122.909 120.400 -0.046 0.000 2.347 298 D HA 0.264 4.903 4.640 -0.003 0.000 0.235 298 D C -1.784 174.488 176.300 -0.046 0.000 1.149 298 D CA -2.527 51.449 54.000 -0.041 0.000 0.850 298 D CB 1.953 42.725 40.800 -0.047 0.000 1.061 298 D HN 0.004 nan 8.370 nan 0.000 0.487 299 P HA -0.103 nan 4.420 nan 0.000 0.218 299 P C 1.015 178.265 177.300 -0.083 0.000 1.148 299 P CA 0.761 63.827 63.100 -0.058 0.000 0.822 299 P CB 0.476 32.148 31.700 -0.047 0.000 0.784 300 E N -0.708 119.459 120.200 -0.054 0.000 2.204 300 E HA -0.064 4.284 4.350 -0.003 0.000 0.194 300 E C 1.939 178.549 176.600 0.017 0.000 0.989 300 E CA 1.151 57.531 56.400 -0.034 0.000 0.824 300 E CB -0.484 29.224 29.700 0.013 0.000 0.756 300 E HN 0.191 nan 8.360 nan 0.000 0.477 301 A N 1.145 123.969 122.820 0.007 0.000 1.878 301 A HA 0.141 4.459 4.320 -0.003 0.000 0.213 301 A C 2.388 179.965 177.584 -0.013 0.000 1.192 301 A CA 1.259 53.321 52.037 0.041 0.000 0.619 301 A CB -0.435 18.555 19.000 -0.017 0.000 0.837 301 A HN 0.227 nan 8.150 nan 0.000 0.446 302 A N 1.268 124.039 122.820 -0.081 0.000 1.978 302 A HA -0.211 4.107 4.320 -0.003 0.000 0.220 302 A C 2.029 179.532 177.584 -0.135 0.000 1.170 302 A CA 2.042 54.014 52.037 -0.107 0.000 0.636 302 A CB -0.612 18.328 19.000 -0.099 0.000 0.810 302 A HN 0.720 nan 8.150 nan 0.000 0.448 303 K N -1.832 118.422 120.400 -0.243 0.000 2.362 303 K HA -0.085 4.233 4.320 -0.003 0.000 0.200 303 K C 1.122 177.475 176.600 -0.412 0.000 1.046 303 K CA 1.501 57.569 56.287 -0.365 0.000 0.952 303 K CB -0.408 31.786 32.500 -0.509 0.000 0.753 303 K HN 0.583 nan 8.250 nan 0.000 0.466 304 Y N 0.739 120.994 120.300 -0.075 0.000 2.458 304 Y HA 0.198 4.746 4.550 -0.004 0.000 0.254 304 Y C 0.277 176.126 175.900 -0.086 0.000 1.120 304 Y CA -0.815 57.231 58.100 -0.090 0.000 1.282 304 Y CB 1.077 39.458 38.460 -0.132 0.000 1.109 304 Y HN -0.202 nan 8.280 nan 0.000 0.526 305 V N 0.807 120.741 119.914 0.034 0.000 2.364 305 V HA 0.039 4.157 4.120 -0.003 0.000 0.272 305 V C 0.614 176.723 176.094 0.024 0.000 1.036 305 V CA -0.354 61.946 62.300 -0.000 0.000 0.880 305 V CB 1.030 32.821 31.823 -0.054 0.000 0.991 305 V HN 0.296 nan 8.190 nan 0.000 0.460 306 H N 4.026 123.054 119.070 -0.069 0.000 2.415 306 H HA 0.379 4.933 4.556 -0.003 0.000 0.297 306 H C 0.783 176.093 175.328 -0.029 0.000 1.048 306 H CA 1.102 57.119 56.048 -0.052 0.000 1.365 306 H CB 0.575 30.285 29.762 -0.086 0.000 1.421 306 H HN 0.746 nan 8.280 nan 0.000 0.533 307 G N -0.905 107.815 108.800 -0.134 0.000 2.600 307 G HA2 0.467 4.425 3.960 -0.003 0.000 0.293 307 G HA3 0.467 4.425 3.960 -0.003 0.000 0.293 307 G C -1.639 173.225 174.900 -0.060 0.000 1.408 307 G CA -0.660 44.352 45.100 -0.147 0.000 0.782 307 G HN 0.131 nan 8.290 nan 0.000 0.482 308 I N 0.911 121.476 120.570 -0.009 0.000 2.447 308 I HA 0.580 4.748 4.170 -0.003 0.000 0.287 308 I C 0.309 176.458 176.117 0.054 0.000 1.023 308 I CA -0.780 60.522 61.300 0.002 0.000 1.083 308 I CB 2.075 40.079 38.000 0.007 0.000 1.245 308 I HN 0.662 nan 8.210 nan 0.000 0.434 309 A N 6.590 129.427 122.820 0.029 0.000 2.301 309 A HA 0.829 5.147 4.320 -0.003 0.000 0.312 309 A C -0.415 177.156 177.584 -0.021 0.000 1.182 309 A CA -0.491 51.600 52.037 0.089 0.000 0.826 309 A CB 1.076 20.140 19.000 0.107 0.000 1.134 309 A HN 0.603 nan 8.150 nan 0.000 0.501 310 V N 0.547 120.456 119.914 -0.009 0.000 2.823 310 V HA 0.666 4.785 4.120 -0.003 0.000 0.312 310 V C -0.503 175.614 176.094 0.039 0.000 1.072 310 V CA -0.720 61.549 62.300 -0.052 0.000 0.937 310 V CB 1.280 33.072 31.823 -0.052 0.000 1.013 310 V HN 0.952 nan 8.190 nan 0.000 0.430 311 H N 2.653 121.618 119.070 -0.176 0.000 2.616 311 H HA 0.354 4.908 4.556 -0.003 0.000 0.353 311 H C -0.465 174.798 175.328 -0.108 0.000 1.170 311 H CA -0.359 55.569 56.048 -0.199 0.000 1.212 311 H CB 2.283 32.019 29.762 -0.044 0.000 1.653 311 H HN 0.979 nan 8.280 nan 0.000 0.537 312 W N 2.435 123.464 121.300 -0.453 0.000 3.278 312 W HA 0.063 4.721 4.660 -0.003 0.000 0.308 312 W C -0.203 176.181 176.519 -0.225 0.000 1.253 312 W CA -0.310 56.827 57.345 -0.346 0.000 1.759 312 W CB -1.063 28.170 29.460 -0.379 0.000 1.093 312 W HN 0.636 nan 8.180 nan 0.000 0.648 313 Y N 1.282 121.720 120.300 0.230 0.000 2.439 313 Y HA 0.063 4.611 4.550 -0.003 0.000 0.292 313 Y C 1.842 177.760 175.900 0.031 0.000 1.130 313 Y CA 1.183 59.316 58.100 0.056 0.000 1.254 313 Y CB -0.110 38.452 38.460 0.171 0.000 1.000 313 Y HN -0.176 nan 8.280 nan 0.000 0.554 314 L N -0.131 121.205 121.223 0.190 0.000 3.141 314 L HA 0.154 4.492 4.340 -0.003 0.000 0.267 314 L C 0.436 177.311 176.870 0.008 0.000 1.281 314 L CA -0.167 54.772 54.840 0.166 0.000 1.037 314 L CB 0.169 42.276 42.059 0.081 0.000 1.407 314 L HN 0.046 nan 8.230 nan 0.000 0.566 315 D N 1.043 121.457 120.400 0.023 0.000 2.221 315 D HA -0.224 4.414 4.640 -0.003 0.000 0.204 315 D C 1.987 178.286 176.300 -0.001 0.000 0.982 315 D CA 1.366 55.359 54.000 -0.012 0.000 0.857 315 D CB 0.017 40.809 40.800 -0.013 0.000 0.934 315 D HN 0.514 nan 8.370 nan 0.000 0.475 316 F N -0.167 119.749 119.950 -0.056 0.000 2.269 316 F HA -0.047 4.479 4.527 -0.003 0.000 0.301 316 F C 1.667 177.460 175.800 -0.012 0.000 1.082 316 F CA 0.742 58.725 58.000 -0.029 0.000 1.360 316 F CB -0.605 38.382 39.000 -0.022 0.000 1.041 316 F HN -0.098 nan 8.300 nan 0.000 0.512 317 L N 0.423 121.132 121.223 -0.858 0.000 2.558 317 L HA 0.297 4.635 4.340 -0.003 0.000 0.225 317 L C 0.903 177.602 176.870 -0.285 0.000 1.128 317 L CA 0.275 54.724 54.840 -0.652 0.000 0.868 317 L CB -0.258 41.374 42.059 -0.711 0.000 1.006 317 L HN 0.300 nan 8.230 nan 0.000 0.454 318 A N 0.672 123.374 122.820 -0.197 0.000 2.763 318 A HA 0.517 4.835 4.320 -0.003 0.000 0.325 318 A C -2.534 174.991 177.584 -0.099 0.000 1.209 318 A CA -1.244 50.719 52.037 -0.124 0.000 0.764 318 A CB -0.009 18.928 19.000 -0.105 0.000 1.120 318 A HN -0.173 nan 8.150 nan 0.000 0.463 319 P HA 0.119 nan 4.420 nan 0.000 0.265 319 P C 1.163 178.349 177.300 -0.189 0.000 1.193 319 P CA 0.631 63.663 63.100 -0.113 0.000 0.765 319 P CB 1.031 32.677 31.700 -0.090 0.000 0.823 320 A N 4.398 127.035 122.820 -0.304 0.000 1.908 320 A HA -0.241 4.077 4.320 -0.003 0.000 0.218 320 A C 2.183 179.379 177.584 -0.647 0.000 1.181 320 A CA 2.060 53.800 52.037 -0.494 0.000 0.627 320 A CB -1.049 17.525 19.000 -0.710 0.000 0.818 320 A HN 0.595 nan 8.150 nan 0.000 0.445 321 K N -0.324 119.628 120.400 -0.747 0.000 2.063 321 K HA -0.085 4.233 4.320 -0.003 0.000 0.208 321 K C 1.956 178.496 176.600 -0.099 0.000 1.048 321 K CA 1.382 57.443 56.287 -0.378 0.000 0.928 321 K CB -0.334 32.092 32.500 -0.123 0.000 0.713 321 K HN 0.360 nan 8.250 nan 0.000 0.442 322 A N 0.070 122.833 122.820 -0.096 0.000 2.119 322 A HA -0.057 4.261 4.320 -0.003 0.000 0.217 322 A C 1.828 179.409 177.584 -0.005 0.000 1.153 322 A CA 1.684 53.704 52.037 -0.028 0.000 0.692 322 A CB -0.403 18.578 19.000 -0.032 0.000 0.799 322 A HN 0.653 nan 8.150 nan 0.000 0.458 323 T N -3.044 111.493 114.554 -0.027 0.000 3.397 323 T HA 0.213 4.561 4.350 -0.003 0.000 0.233 323 T C 1.779 176.512 174.700 0.055 0.000 0.969 323 T CA 0.522 62.628 62.100 0.010 0.000 1.316 323 T CB -0.684 68.171 68.868 -0.022 0.000 1.175 323 T HN 0.092 nan 8.240 nan 0.000 0.381 324 L N 1.566 122.813 121.223 0.040 0.000 2.017 324 L HA 0.117 4.455 4.340 -0.003 0.000 0.208 324 L C 3.139 180.154 176.870 0.243 0.000 1.073 324 L CA 1.773 56.693 54.840 0.133 0.000 0.745 324 L CB -1.116 41.024 42.059 0.134 0.000 0.894 324 L HN 0.586 nan 8.230 nan 0.000 0.432 325 G N -0.451 108.493 108.800 0.240 0.000 2.402 325 G HA2 -0.303 3.655 3.960 -0.003 0.000 0.216 325 G HA3 -0.303 3.655 3.960 -0.003 0.000 0.216 325 G C 1.486 176.541 174.900 0.257 0.000 1.162 325 G CA 0.871 46.210 45.100 0.397 0.000 0.777 325 G HN 0.344 nan 8.290 nan 0.000 0.539 326 E N 0.408 120.702 120.200 0.157 0.000 2.106 326 E HA -0.061 4.287 4.350 -0.003 0.000 0.192 326 E C 2.549 179.210 176.600 0.102 0.000 0.984 326 E CA 1.594 58.056 56.400 0.105 0.000 0.806 326 E CB -0.494 29.251 29.700 0.075 0.000 0.750 326 E HN 0.319 nan 8.360 nan 0.000 0.458 327 T N -0.837 113.812 114.554 0.158 0.000 2.777 327 T HA -0.163 4.185 4.350 -0.003 0.000 0.266 327 T C 1.500 176.317 174.700 0.196 0.000 1.040 327 T CA 1.538 63.771 62.100 0.221 0.000 1.141 327 T CB -0.537 68.470 68.868 0.232 0.000 0.868 327 T HN 0.406 nan 8.240 nan 0.000 0.444 328 H N 1.182 120.295 119.070 0.071 0.000 2.389 328 H HA 0.112 4.666 4.556 -0.003 0.000 0.299 328 H C 2.476 177.749 175.328 -0.092 0.000 1.081 328 H CA 1.444 57.465 56.048 -0.046 0.000 1.345 328 H CB -0.056 29.537 29.762 -0.282 0.000 1.393 328 H HN 0.149 nan 8.280 nan 0.000 0.520 329 R N -0.093 120.352 120.500 -0.091 0.000 2.073 329 R HA -0.095 4.244 4.340 -0.003 0.000 0.234 329 R C 2.054 178.200 176.300 -0.258 0.000 1.134 329 R CA 1.763 57.771 56.100 -0.152 0.000 0.952 329 R CB -0.161 30.121 30.300 -0.030 0.000 0.850 329 R HN 0.400 nan 8.270 nan 0.000 0.433 330 L N -0.916 120.122 121.223 -0.308 0.000 2.179 330 L HA 0.020 4.358 4.340 -0.003 0.000 0.208 330 L C 0.403 176.711 176.870 -0.936 0.000 1.096 330 L CA 0.752 55.203 54.840 -0.650 0.000 0.779 330 L CB 0.187 41.765 42.059 -0.801 0.000 0.922 330 L HN 0.087 nan 8.230 nan 0.000 0.443 331 F N -0.606 119.282 119.950 -0.104 0.000 2.564 331 F HA 0.295 4.820 4.527 -0.004 0.000 0.329 331 F C -1.677 174.031 175.800 -0.154 0.000 1.458 331 F CA -1.420 56.521 58.000 -0.097 0.000 1.117 331 F CB 0.391 39.364 39.000 -0.046 0.000 1.383 331 F HN -0.156 nan 8.300 nan 0.000 0.571 332 P HA -0.090 nan 4.420 nan 0.000 0.226 332 P C 0.546 177.811 177.300 -0.059 0.000 1.153 332 P CA 1.175 64.051 63.100 -0.373 0.000 0.777 332 P CB 0.364 31.763 31.700 -0.503 0.000 0.794 333 N N -0.713 117.990 118.700 0.006 0.000 2.336 333 N HA 0.028 4.766 4.740 -0.003 0.000 0.189 333 N C -0.018 175.508 175.510 0.026 0.000 1.113 333 N CA 0.528 53.598 53.050 0.033 0.000 0.858 333 N CB -0.022 38.482 38.487 0.028 0.000 0.970 333 N HN 0.088 nan 8.380 nan 0.000 0.471 334 T N 2.487 117.067 114.554 0.042 0.000 2.770 334 T HA 0.317 4.665 4.350 -0.003 0.000 0.297 334 T C 0.560 175.267 174.700 0.011 0.000 0.997 334 T CA -0.748 61.344 62.100 -0.014 0.000 0.949 334 T CB 0.690 69.548 68.868 -0.016 0.000 0.941 334 T HN 0.092 nan 8.240 nan 0.000 0.457 335 M N 3.327 122.885 119.600 -0.069 0.000 2.248 335 M HA 0.439 4.917 4.480 -0.003 0.000 0.337 335 M C -0.897 175.447 176.300 0.073 0.000 1.121 335 M CA 0.208 55.519 55.300 0.018 0.000 1.155 335 M CB -0.208 32.375 32.600 -0.027 0.000 1.514 335 M HN 0.337 nan 8.290 nan 0.000 0.452 336 L N 2.995 124.304 121.223 0.143 0.000 2.325 336 L HA 0.735 5.073 4.340 -0.003 0.000 0.278 336 L C -1.083 175.918 176.870 0.220 0.000 1.023 336 L CA -0.380 54.554 54.840 0.157 0.000 0.811 336 L CB 1.370 43.520 42.059 0.152 0.000 1.249 336 L HN 0.828 nan 8.230 nan 0.000 0.431 337 F N 2.105 122.068 119.950 0.021 0.000 2.588 337 F HA 0.667 5.192 4.527 -0.003 0.000 0.318 337 F C -0.498 175.278 175.800 -0.040 0.000 1.155 337 F CA -0.714 57.293 58.000 0.012 0.000 0.967 337 F CB 1.421 40.471 39.000 0.084 0.000 1.236 337 F HN 0.442 nan 8.300 nan 0.000 0.455 338 A N 3.516 125.925 122.820 -0.686 0.000 2.310 338 A HA 0.468 4.786 4.320 -0.003 0.000 0.300 338 A C 0.489 177.539 177.584 -0.889 0.000 1.269 338 A CA 0.298 51.938 52.037 -0.661 0.000 0.909 338 A CB -0.034 18.552 19.000 -0.689 0.000 1.144 338 A HN 1.020 nan 8.150 nan 0.000 0.540 339 S N 1.187 116.627 115.700 -0.434 0.000 2.523 339 S HA 0.277 4.745 4.470 -0.003 0.000 0.217 339 S C 0.256 174.614 174.600 -0.404 0.000 0.996 339 S CA 0.140 58.221 58.200 -0.198 0.000 0.921 339 S CB 0.162 63.475 63.200 0.187 0.000 0.829 339 S HN 0.782 nan 8.310 nan 0.000 0.495 340 E N -0.206 119.546 120.200 -0.747 0.000 2.388 340 E HA 0.605 4.953 4.350 -0.003 0.000 0.289 340 E C -2.024 173.889 176.600 -1.146 0.000 0.944 340 E CA -0.444 55.403 56.400 -0.922 0.000 0.792 340 E CB 1.939 30.883 29.700 -1.260 0.000 1.239 340 E HN 0.348 nan 8.360 nan 0.000 0.412 341 A N 2.179 124.289 122.820 -1.183 0.000 2.547 341 A HA 0.800 5.118 4.320 -0.003 0.000 0.297 341 A C -1.086 176.011 177.584 -0.812 0.000 1.056 341 A CA -0.494 50.534 52.037 -1.681 0.000 0.688 341 A CB 0.831 18.301 19.000 -2.550 0.000 1.282 341 A HN 0.851 nan 8.150 nan 0.000 0.400 342 C N 0.395 119.513 119.300 -0.302 0.000 3.285 342 C HA 0.897 5.355 4.460 -0.003 0.000 0.325 342 C C -0.249 175.165 174.990 0.707 0.000 1.304 342 C CA -0.193 59.008 59.018 0.305 0.000 1.319 342 C CB 0.664 28.660 27.740 0.426 0.000 1.640 342 C HN 1.896 nan 8.230 nan 0.000 0.477 343 V N 0.205 120.493 119.914 0.623 0.000 2.973 343 V HA 0.954 5.072 4.120 -0.003 0.000 0.314 343 V C 1.012 177.278 176.094 0.286 0.000 1.066 343 V CA 0.500 63.102 62.300 0.503 0.000 1.021 343 V CB 0.725 32.782 31.823 0.390 0.000 1.076 343 V HN 2.896 nan 8.190 nan 0.000 0.462 344 G N 1.622 110.518 108.800 0.161 0.000 2.141 344 G HA2 -0.236 3.722 3.960 -0.003 0.000 0.242 344 G HA3 -0.236 3.722 3.960 -0.003 0.000 0.242 344 G C 0.771 175.703 174.900 0.053 0.000 0.982 344 G CA 1.021 46.164 45.100 0.073 0.000 0.662 344 G HN 2.015 nan 8.290 nan 0.000 0.527 345 S N -0.922 114.820 115.700 0.069 0.000 2.535 345 S HA 0.360 4.828 4.470 -0.003 0.000 0.214 345 S C 0.952 175.474 174.600 -0.130 0.000 0.980 345 S CA 0.240 58.461 58.200 0.035 0.000 0.907 345 S CB 0.453 63.717 63.200 0.105 0.000 0.790 345 S HN 0.366 nan 8.310 nan 0.000 0.510 346 K N 1.894 122.071 120.400 -0.372 0.000 2.154 346 K HA 0.225 4.543 4.320 -0.003 0.000 0.264 346 K C 0.860 177.036 176.600 -0.706 0.000 1.008 346 K CA -0.425 55.387 56.287 -0.792 0.000 0.937 346 K CB 0.314 31.793 32.500 -1.701 0.000 1.002 346 K HN 0.364 nan 8.250 nan 0.000 0.469 347 F N -0.229 119.480 119.950 -0.402 0.000 2.333 347 F HA -0.093 4.432 4.527 -0.003 0.000 0.300 347 F C 1.502 177.305 175.800 0.005 0.000 1.083 347 F CA 0.275 58.213 58.000 -0.102 0.000 1.395 347 F CB -0.648 38.373 39.000 0.035 0.000 1.056 347 F HN 0.674 nan 8.300 nan 0.000 0.529 348 W N 1.182 122.302 121.300 -0.299 0.000 3.290 348 W HA 0.408 5.066 4.660 -0.003 0.000 0.287 348 W C -0.105 176.386 176.519 -0.047 0.000 1.288 348 W CA -0.768 56.505 57.345 -0.121 0.000 1.725 348 W CB -0.920 28.366 29.460 -0.289 0.000 1.103 348 W HN -0.089 nan 8.180 nan 0.000 0.670 349 E N 1.965 121.992 120.200 -0.289 0.000 2.266 349 E HA 0.084 4.432 4.350 -0.003 0.000 0.277 349 E C -0.367 176.223 176.600 -0.017 0.000 1.018 349 E CA -0.810 55.495 56.400 -0.158 0.000 0.840 349 E CB 1.148 30.668 29.700 -0.300 0.000 1.082 349 E HN 0.060 nan 8.360 nan 0.000 0.395 350 Q N 1.422 121.241 119.800 0.031 0.000 2.337 350 Q HA 0.014 4.352 4.340 -0.003 0.000 0.270 350 Q C 0.268 176.284 176.000 0.027 0.000 1.002 350 Q CA 0.019 55.848 55.803 0.044 0.000 0.888 350 Q CB 0.785 29.546 28.738 0.038 0.000 1.222 350 Q HN 0.548 nan 8.270 nan 0.000 0.400 351 S N 2.115 117.853 115.700 0.063 0.000 2.345 351 S HA -0.031 4.437 4.470 -0.003 0.000 0.220 351 S C 0.240 174.866 174.600 0.043 0.000 1.031 351 S CA 0.572 58.828 58.200 0.094 0.000 0.996 351 S CB 0.370 63.682 63.200 0.186 0.000 0.882 351 S HN 0.514 nan 8.310 nan 0.000 0.445 352 V N 2.264 122.172 119.914 -0.011 0.000 2.409 352 V HA 0.429 4.547 4.120 -0.003 0.000 0.291 352 V C -0.422 175.542 176.094 -0.217 0.000 1.020 352 V CA -0.630 61.622 62.300 -0.081 0.000 0.848 352 V CB 1.513 33.294 31.823 -0.070 0.000 0.990 352 V HN 0.206 nan 8.190 nan 0.000 0.430 353 R N 4.725 125.017 120.500 -0.346 0.000 2.335 353 R HA 0.482 4.820 4.340 -0.003 0.000 0.302 353 R C -0.863 175.076 176.300 -0.602 0.000 1.147 353 R CA -0.556 55.047 56.100 -0.829 0.000 1.111 353 R CB 1.022 30.810 30.300 -0.853 0.000 1.122 353 R HN 0.622 nan 8.270 nan 0.000 0.557 354 L N 2.336 123.316 121.223 -0.405 0.000 2.654 354 L HA 0.027 4.365 4.340 -0.003 0.000 0.271 354 L C 1.287 178.208 176.870 0.086 0.000 1.169 354 L CA 0.927 55.655 54.840 -0.188 0.000 0.947 354 L CB 0.418 42.155 42.059 -0.537 0.000 1.232 354 L HN 1.002 nan 8.230 nan 0.000 0.486 355 G N 1.950 110.804 108.800 0.089 0.000 2.144 355 G HA2 -0.267 3.691 3.960 -0.003 0.000 0.218 355 G HA3 -0.267 3.691 3.960 -0.003 0.000 0.218 355 G C 0.355 175.385 174.900 0.216 0.000 0.988 355 G CA 0.104 45.329 45.100 0.207 0.000 0.659 355 G HN 0.645 nan 8.290 nan 0.000 0.522 356 S N 0.054 115.814 115.700 0.101 0.000 2.466 356 S HA 0.234 4.702 4.470 -0.003 0.000 0.286 356 S C 1.270 175.956 174.600 0.143 0.000 1.221 356 S CA 0.474 58.730 58.200 0.094 0.000 1.091 356 S CB -0.110 63.060 63.200 -0.049 0.000 0.956 356 S HN 0.438 nan 8.310 nan 0.000 0.501 357 W N 4.597 125.897 121.300 -0.000 0.000 2.388 357 W HA -0.147 4.511 4.660 -0.003 0.000 0.294 357 W C 1.494 177.958 176.519 -0.093 0.000 1.212 357 W CA 1.641 58.972 57.345 -0.023 0.000 1.271 357 W CB -0.386 29.062 29.460 -0.019 0.000 1.126 357 W HN 0.953 nan 8.180 nan 0.000 0.535 358 D N 0.190 120.587 120.400 -0.004 0.000 2.116 358 D HA -0.253 4.385 4.640 -0.003 0.000 0.193 358 D C 2.140 178.352 176.300 -0.146 0.000 0.998 358 D CA 2.146 56.096 54.000 -0.083 0.000 0.836 358 D CB -0.239 40.554 40.800 -0.012 0.000 0.951 358 D HN 0.039 nan 8.370 nan 0.000 0.449 359 R N -0.385 120.040 120.500 -0.124 0.000 2.092 359 R HA 0.031 4.369 4.340 -0.003 0.000 0.231 359 R C 2.569 178.706 176.300 -0.271 0.000 1.119 359 R CA 1.133 57.165 56.100 -0.112 0.000 0.970 359 R CB -0.513 29.729 30.300 -0.095 0.000 0.864 359 R HN 0.301 nan 8.270 nan 0.000 0.440 360 G N 1.089 109.596 108.800 -0.490 0.000 2.446 360 G HA2 -0.280 3.679 3.960 -0.003 0.000 0.217 360 G HA3 -0.280 3.679 3.960 -0.003 0.000 0.217 360 G C 1.436 175.674 174.900 -1.105 0.000 1.168 360 G CA 0.803 45.373 45.100 -0.884 0.000 0.771 360 G HN 0.164 nan 8.290 nan 0.000 0.551 361 M N 0.013 119.015 119.600 -0.997 0.000 2.202 361 M HA -0.114 4.364 4.480 -0.003 0.000 0.262 361 M C 2.745 179.016 176.300 -0.048 0.000 1.063 361 M CA 1.301 56.337 55.300 -0.440 0.000 1.097 361 M CB -0.378 32.077 32.600 -0.242 0.000 1.382 361 M HN 0.291 nan 8.290 nan 0.000 0.413 362 Q N -0.565 119.252 119.800 0.027 0.000 2.096 362 Q HA -0.201 4.137 4.340 -0.003 0.000 0.204 362 Q C 1.948 178.235 176.000 0.478 0.000 0.982 362 Q CA 1.585 57.552 55.803 0.274 0.000 0.850 362 Q CB -0.204 28.745 28.738 0.351 0.000 0.901 362 Q HN 0.478 nan 8.270 nan 0.000 0.422 363 Y N 0.720 121.084 120.300 0.107 0.000 2.114 363 Y HA -0.236 4.312 4.550 -0.003 0.000 0.284 363 Y C 2.885 178.632 175.900 -0.256 0.000 1.143 363 Y CA 1.441 59.484 58.100 -0.095 0.000 1.135 363 Y CB -0.840 37.525 38.460 -0.159 0.000 0.980 363 Y HN 0.186 nan 8.280 nan 0.000 0.499 364 S N -1.176 114.600 115.700 0.127 0.000 2.383 364 S HA -0.259 4.209 4.470 -0.003 0.000 0.227 364 S C 1.872 176.533 174.600 0.101 0.000 1.026 364 S CA 1.439 59.750 58.200 0.185 0.000 0.981 364 S CB -0.966 62.556 63.200 0.536 0.000 0.818 364 S HN 0.640 nan 8.310 nan 0.000 0.472 365 H N 1.783 120.902 119.070 0.081 0.000 2.353 365 H HA 0.017 4.571 4.556 -0.003 0.000 0.300 365 H C 2.373 177.725 175.328 0.040 0.000 1.090 365 H CA 1.841 57.937 56.048 0.079 0.000 1.327 365 H CB -0.703 29.115 29.762 0.094 0.000 1.383 365 H HN 0.425 nan 8.280 nan 0.000 0.508 366 S N -0.653 115.056 115.700 0.015 0.000 2.356 366 S HA -0.114 4.354 4.470 -0.003 0.000 0.223 366 S C 2.245 176.694 174.600 -0.252 0.000 1.032 366 S CA 1.461 59.671 58.200 0.016 0.000 1.005 366 S CB -0.427 63.050 63.200 0.462 0.000 0.867 366 S HN 0.497 nan 8.310 nan 0.000 0.449 367 I N 1.101 121.256 120.570 -0.693 0.000 2.179 367 I HA -0.174 3.994 4.170 -0.003 0.000 0.242 367 I C 2.197 178.011 176.117 -0.506 0.000 1.088 367 I CA 1.304 62.029 61.300 -0.960 0.000 1.357 367 I CB -0.388 36.623 38.000 -1.648 0.000 1.051 367 I HN 0.327 nan 8.210 nan 0.000 0.409 368 I N 0.221 120.585 120.570 -0.344 0.000 2.226 368 I HA -0.281 3.887 4.170 -0.003 0.000 0.245 368 I C 2.528 178.579 176.117 -0.111 0.000 1.100 368 I CA 1.579 62.822 61.300 -0.094 0.000 1.374 368 I CB -0.559 37.474 38.000 0.055 0.000 1.057 368 I HN 0.232 nan 8.210 nan 0.000 0.413 369 T N 0.407 114.858 114.554 -0.171 0.000 2.746 369 T HA -0.137 4.211 4.350 -0.003 0.000 0.267 369 T C 1.759 176.486 174.700 0.046 0.000 1.039 369 T CA 1.261 63.315 62.100 -0.077 0.000 1.142 369 T CB -0.343 68.411 68.868 -0.190 0.000 0.866 369 T HN 0.343 nan 8.240 nan 0.000 0.444 370 N N 1.183 119.883 118.700 0.001 0.000 2.043 370 N HA -0.036 4.703 4.740 -0.003 0.000 0.193 370 N C 1.970 177.480 175.510 -0.001 0.000 1.037 370 N CA 1.134 54.212 53.050 0.047 0.000 0.851 370 N CB -0.370 38.174 38.487 0.096 0.000 1.027 370 N HN 0.325 nan 8.380 nan 0.000 0.422 371 L N 1.247 122.438 121.223 -0.053 0.000 2.079 371 L HA -0.150 4.188 4.340 -0.003 0.000 0.210 371 L C 2.251 179.007 176.870 -0.191 0.000 1.081 371 L CA 0.855 55.651 54.840 -0.074 0.000 0.752 371 L CB -0.418 41.630 42.059 -0.018 0.000 0.896 371 L HN 0.172 nan 8.230 nan 0.000 0.433 372 L N -1.726 119.361 121.223 -0.226 0.000 2.376 372 L HA -0.162 4.176 4.340 -0.003 0.000 0.219 372 L C 0.695 177.031 176.870 -0.890 0.000 1.133 372 L CA 0.793 55.336 54.840 -0.496 0.000 0.816 372 L CB -0.163 41.651 42.059 -0.408 0.000 0.933 372 L HN 0.247 nan 8.230 nan 0.000 0.449 373 Y N -1.096 118.988 120.300 -0.361 0.000 2.722 373 Y HA 0.246 4.794 4.550 -0.003 0.000 0.314 373 Y C 0.432 176.183 175.900 -0.248 0.000 1.008 373 Y CA -0.657 57.219 58.100 -0.373 0.000 1.294 373 Y CB -0.367 38.032 38.460 -0.101 0.000 1.231 373 Y HN 0.142 nan 8.280 nan 0.000 0.558 374 H N -3.143 115.865 119.070 -0.103 0.000 3.636 374 H HA -0.148 4.406 4.556 -0.003 0.000 0.179 374 H C 0.110 175.426 175.328 -0.020 0.000 0.968 374 H CA 0.542 56.511 56.048 -0.131 0.000 1.220 374 H CB -1.536 28.040 29.762 -0.309 0.000 1.023 374 H HN 0.104 nan 8.280 nan 0.000 0.366 375 V N 2.953 122.911 119.914 0.074 0.000 2.585 375 V HA 0.035 4.153 4.120 -0.003 0.000 0.296 375 V C 2.017 178.131 176.094 0.033 0.000 1.035 375 V CA 0.803 63.142 62.300 0.065 0.000 1.084 375 V CB 1.498 33.342 31.823 0.034 0.000 0.953 375 V HN 0.346 nan 8.190 nan 0.000 0.483 376 V N 1.711 121.668 119.914 0.072 0.000 3.650 376 V HA 0.643 4.761 4.120 -0.003 0.000 0.271 376 V C 0.699 176.766 176.094 -0.045 0.000 1.281 376 V CA 0.908 63.247 62.300 0.065 0.000 1.120 376 V CB -0.214 31.698 31.823 0.149 0.000 0.856 376 V HN 0.978 nan 8.190 nan 0.000 0.443 377 G N -1.400 107.291 108.800 -0.181 0.000 2.601 377 G HA2 0.469 4.427 3.960 -0.003 0.000 0.291 377 G HA3 0.469 4.427 3.960 -0.003 0.000 0.291 377 G C -2.613 171.838 174.900 -0.748 0.000 1.456 377 G CA -0.584 44.204 45.100 -0.520 0.000 0.804 377 G HN 0.324 nan 8.290 nan 0.000 0.499 378 W N 0.855 121.588 121.300 -0.944 0.000 3.211 378 W HA 0.620 5.278 4.660 -0.003 0.000 0.335 378 W C -0.815 175.398 176.519 -0.511 0.000 1.113 378 W CA -0.431 56.509 57.345 -0.674 0.000 1.235 378 W CB 2.397 31.621 29.460 -0.394 0.000 1.365 378 W HN 0.581 nan 8.180 nan 0.000 0.476 379 T N 4.213 118.358 114.554 -0.681 0.000 2.812 379 T HA 0.150 4.498 4.350 -0.003 0.000 0.282 379 T C -0.723 173.574 174.700 -0.670 0.000 0.990 379 T CA -0.511 61.311 62.100 -0.462 0.000 0.960 379 T CB 1.479 70.185 68.868 -0.270 0.000 0.948 379 T HN 0.347 nan 8.240 nan 0.000 0.438 380 D N 0.989 121.189 120.400 -0.333 0.000 2.360 380 D HA 0.157 4.795 4.640 -0.003 0.000 0.242 380 D C 0.260 176.529 176.300 -0.052 0.000 1.184 380 D CA -0.506 53.364 54.000 -0.217 0.000 0.930 380 D CB 0.848 41.723 40.800 0.124 0.000 1.161 380 D HN 0.542 nan 8.370 nan 0.000 0.447 381 W N 1.378 122.532 121.300 -0.243 0.000 1.692 381 W HA 0.121 4.780 4.660 -0.003 0.000 0.644 381 W C 0.192 176.631 176.519 -0.134 0.000 1.365 381 W CA -0.690 56.546 57.345 -0.182 0.000 1.159 381 W CB 0.041 29.396 29.460 -0.175 0.000 3.497 381 W HN 0.216 nan 8.180 nan 0.000 0.768 382 N N 2.765 121.033 118.700 -0.718 0.000 2.294 382 N HA -0.123 4.615 4.740 -0.003 0.000 0.263 382 N C 0.906 176.280 175.510 -0.226 0.000 1.281 382 N CA 0.625 53.270 53.050 -0.675 0.000 0.846 382 N CB 0.821 38.808 38.487 -0.833 0.000 1.061 382 N HN 0.336 nan 8.380 nan 0.000 0.478 383 L N 1.230 122.369 121.223 -0.140 0.000 2.131 383 L HA -0.115 4.223 4.340 -0.003 0.000 0.210 383 L C 1.061 178.020 176.870 0.149 0.000 1.092 383 L CA 1.031 55.874 54.840 0.006 0.000 0.759 383 L CB -0.109 41.943 42.059 -0.012 0.000 0.903 383 L HN 0.607 nan 8.230 nan 0.000 0.435 384 A N -1.022 121.814 122.820 0.027 0.000 2.594 384 A HA 0.756 5.074 4.320 -0.003 0.000 0.295 384 A C -1.173 176.396 177.584 -0.024 0.000 1.071 384 A CA -0.479 51.580 52.037 0.036 0.000 0.685 384 A CB 1.516 20.529 19.000 0.022 0.000 1.285 384 A HN -0.010 nan 8.150 nan 0.000 0.405 385 L N 0.767 121.992 121.223 0.003 0.000 2.322 385 L HA 0.497 4.835 4.340 -0.003 0.000 0.252 385 L C -0.237 176.648 176.870 0.025 0.000 1.055 385 L CA -1.225 53.623 54.840 0.014 0.000 0.849 385 L CB 2.279 44.354 42.059 0.026 0.000 1.446 385 L HN 0.984 nan 8.230 nan 0.000 0.416 386 N N -0.489 118.224 118.700 0.021 0.000 2.413 386 N HA 0.329 5.067 4.740 -0.003 0.000 0.266 386 N C -2.436 173.063 175.510 -0.018 0.000 1.238 386 N CA -1.817 51.233 53.050 0.002 0.000 0.972 386 N CB -0.087 38.391 38.487 -0.015 0.000 1.210 386 N HN 0.153 nan 8.380 nan 0.000 0.547 387 P HA -0.086 nan 4.420 nan 0.000 0.228 387 P C 0.638 177.883 177.300 -0.092 0.000 1.151 387 P CA 1.045 64.119 63.100 -0.043 0.000 0.770 387 P CB 0.159 31.848 31.700 -0.020 0.000 0.786 388 E N -0.331 119.771 120.200 -0.163 0.000 2.371 388 E HA 0.041 4.389 4.350 -0.003 0.000 0.194 388 E C 0.949 177.356 176.600 -0.322 0.000 1.012 388 E CA 0.689 56.898 56.400 -0.317 0.000 0.860 388 E CB -0.432 28.944 29.700 -0.540 0.000 0.811 388 E HN 0.128 nan 8.360 nan 0.000 0.502 389 G N -0.128 108.591 108.800 -0.135 0.000 2.130 389 G HA2 -0.174 3.784 3.960 -0.003 0.000 0.216 389 G HA3 -0.174 3.784 3.960 -0.003 0.000 0.216 389 G C 0.177 175.250 174.900 0.288 0.000 0.999 389 G CA 0.030 45.183 45.100 0.089 0.000 0.686 389 G HN 0.610 nan 8.290 nan 0.000 0.515 390 G N -0.680 108.183 108.800 0.105 0.000 3.247 390 G HA2 0.880 4.838 3.960 -0.003 0.000 0.226 390 G HA3 0.880 4.838 3.960 -0.003 0.000 0.226 390 G C -2.847 172.173 174.900 0.200 0.000 1.220 390 G CA -0.453 44.839 45.100 0.321 0.000 0.875 390 G HN 0.239 nan 8.290 nan 0.000 0.606 391 P HA 0.189 nan 4.420 nan 0.000 0.274 391 P C -1.127 176.298 177.300 0.210 0.000 1.246 391 P CA -0.215 63.022 63.100 0.228 0.000 0.795 391 P CB 1.320 33.113 31.700 0.155 0.000 1.006 392 N N 1.483 120.265 118.700 0.136 0.000 2.578 392 N HA 0.028 4.766 4.740 -0.003 0.000 0.282 392 N C 0.891 176.294 175.510 -0.178 0.000 1.119 392 N CA -0.548 52.345 53.050 -0.263 0.000 0.948 392 N CB 0.871 38.908 38.487 -0.750 0.000 1.546 392 N HN 0.555 nan 8.380 nan 0.000 0.525 393 W N 3.916 125.118 121.300 -0.164 0.000 2.421 393 W HA 0.038 4.695 4.660 -0.004 0.000 0.270 393 W C -0.262 176.188 176.519 -0.116 0.000 1.233 393 W CA 0.455 57.744 57.345 -0.093 0.000 1.226 393 W CB -0.628 28.800 29.460 -0.054 0.000 1.121 393 W HN 0.233 nan 8.180 nan 0.000 0.579 394 V N 2.028 121.365 119.914 -0.962 0.000 3.647 394 V HA 0.122 4.240 4.120 -0.003 0.000 0.279 394 V C 1.277 177.013 176.094 -0.597 0.000 1.314 394 V CA 0.272 62.059 62.300 -0.854 0.000 1.125 394 V CB -1.069 30.243 31.823 -0.852 0.000 0.907 394 V HN 0.142 nan 8.190 nan 0.000 0.434 395 R N 0.609 120.686 120.500 -0.705 0.000 3.758 395 R HA -0.214 4.124 4.340 -0.003 0.000 0.299 395 R C 0.531 176.066 176.300 -1.276 0.000 1.182 395 R CA 0.840 56.218 56.100 -1.203 0.000 0.809 395 R CB -2.093 27.822 30.300 -0.643 0.000 1.249 395 R HN 0.567 nan 8.270 nan 0.000 0.497 396 N N 1.109 119.271 118.700 -0.898 0.000 3.245 396 N HA 0.084 4.822 4.740 -0.003 0.000 0.296 396 N C -0.489 174.792 175.510 -0.381 0.000 1.254 396 N CA 0.009 52.743 53.050 -0.527 0.000 1.190 396 N CB 0.105 38.372 38.487 -0.366 0.000 1.460 396 N HN 0.100 nan 8.380 nan 0.000 0.538 397 F N 0.744 120.673 119.950 -0.034 0.000 2.459 397 F HA 0.173 4.698 4.527 -0.003 0.000 0.346 397 F C 1.166 177.069 175.800 0.172 0.000 1.128 397 F CA -0.619 57.431 58.000 0.083 0.000 1.268 397 F CB 0.813 39.844 39.000 0.051 0.000 1.161 397 F HN -0.026 nan 8.300 nan 0.000 0.583 398 V N -1.435 118.764 119.914 0.475 0.000 3.076 398 V HA 0.593 4.711 4.120 -0.003 0.000 0.311 398 V C -1.314 174.908 176.094 0.213 0.000 1.346 398 V CA -0.888 61.602 62.300 0.316 0.000 1.056 398 V CB 1.842 33.882 31.823 0.362 0.000 1.093 398 V HN 0.572 nan 8.190 nan 0.000 0.468 399 D N 0.065 120.561 120.400 0.161 0.000 2.326 399 D HA 0.732 5.370 4.640 -0.003 0.000 0.251 399 D C -0.810 175.541 176.300 0.085 0.000 1.023 399 D CA 0.149 54.205 54.000 0.092 0.000 0.966 399 D CB 2.099 42.934 40.800 0.059 0.000 1.156 399 D HN 0.916 nan 8.370 nan 0.000 0.494 400 S N 0.485 116.218 115.700 0.056 0.000 2.546 400 S HA 0.483 4.951 4.470 -0.003 0.000 0.274 400 S C -2.252 172.404 174.600 0.095 0.000 1.121 400 S CA -1.345 56.900 58.200 0.075 0.000 0.887 400 S CB 1.772 64.996 63.200 0.039 0.000 1.094 400 S HN 0.114 nan 8.310 nan 0.000 0.474 401 P HA 0.139 nan 4.420 nan 0.000 0.221 401 P C -0.399 177.014 177.300 0.190 0.000 1.145 401 P CA 1.070 64.290 63.100 0.199 0.000 0.795 401 P CB 0.045 31.965 31.700 0.367 0.000 0.775 402 I N -0.384 120.291 120.570 0.175 0.000 2.498 402 I HA 0.263 4.431 4.170 -0.003 0.000 0.290 402 I C -0.504 175.677 176.117 0.106 0.000 1.032 402 I CA -0.972 60.392 61.300 0.107 0.000 1.073 402 I CB 2.390 40.395 38.000 0.008 0.000 1.251 402 I HN -0.305 nan 8.210 nan 0.000 0.426 403 I N 6.612 127.266 120.570 0.140 0.000 2.406 403 I HA 0.362 4.530 4.170 -0.003 0.000 0.290 403 I C -0.089 176.091 176.117 0.106 0.000 0.999 403 I CA -0.761 60.614 61.300 0.126 0.000 1.124 403 I CB 1.933 40.025 38.000 0.154 0.000 1.289 403 I HN 0.129 nan 8.210 nan 0.000 0.441 404 V N 5.401 125.346 119.914 0.051 0.000 2.407 404 V HA 0.249 4.367 4.120 -0.003 0.000 0.278 404 V C -0.005 176.093 176.094 0.006 0.000 1.037 404 V CA -0.464 61.845 62.300 0.015 0.000 0.900 404 V CB 1.776 33.597 31.823 -0.003 0.000 0.983 404 V HN 0.597 nan 8.190 nan 0.000 0.459 405 D N 4.211 124.585 120.400 -0.043 0.000 2.493 405 D HA 0.226 4.864 4.640 -0.003 0.000 0.235 405 D C 0.987 177.292 176.300 0.007 0.000 1.117 405 D CA -0.251 53.754 54.000 0.008 0.000 0.930 405 D CB 1.031 41.851 40.800 0.033 0.000 1.010 405 D HN 0.543 nan 8.370 nan 0.000 0.514 406 I N 2.418 122.998 120.570 0.017 0.000 2.335 406 I HA -0.282 3.886 4.170 -0.003 0.000 0.251 406 I C 1.886 178.016 176.117 0.021 0.000 1.129 406 I CA 1.659 62.969 61.300 0.016 0.000 1.402 406 I CB 0.217 38.226 38.000 0.016 0.000 1.069 406 I HN 0.358 nan 8.210 nan 0.000 0.424 407 T N -2.399 112.172 114.554 0.029 0.000 3.035 407 T HA -0.069 4.279 4.350 -0.003 0.000 0.268 407 T C 1.523 176.242 174.700 0.032 0.000 1.109 407 T CA 0.710 62.829 62.100 0.032 0.000 1.119 407 T CB -0.188 68.704 68.868 0.039 0.000 0.900 407 T HN 0.418 nan 8.240 nan 0.000 0.503 408 K N 0.632 121.051 120.400 0.031 0.000 2.374 408 K HA 0.144 4.462 4.320 -0.003 0.000 0.202 408 K C 0.180 176.784 176.600 0.006 0.000 1.040 408 K CA 0.278 56.581 56.287 0.026 0.000 1.085 408 K CB 0.286 32.815 32.500 0.049 0.000 0.873 408 K HN 0.209 nan 8.250 nan 0.000 0.539 409 D N 2.070 122.476 120.400 0.009 0.000 2.692 409 D HA -0.144 4.494 4.640 -0.003 0.000 0.233 409 D C -1.199 175.105 176.300 0.007 0.000 1.172 409 D CA 1.056 55.066 54.000 0.017 0.000 0.636 409 D CB -0.868 39.946 40.800 0.023 0.000 1.028 409 D HN 0.084 nan 8.370 nan 0.000 0.419 410 T N 0.563 115.090 114.554 -0.045 0.000 2.893 410 T HA 0.689 5.037 4.350 -0.003 0.000 0.291 410 T C -0.373 174.196 174.700 -0.218 0.000 1.028 410 T CA -0.637 61.357 62.100 -0.176 0.000 0.995 410 T CB 1.044 69.766 68.868 -0.242 0.000 1.051 410 T HN 0.210 nan 8.240 nan 0.000 0.470 411 F N 0.212 119.907 119.950 -0.425 0.000 2.588 411 F HA 0.814 5.339 4.527 -0.003 0.000 0.314 411 F C -1.837 173.676 175.800 -0.478 0.000 1.069 411 F CA -1.566 56.146 58.000 -0.480 0.000 0.931 411 F CB 1.207 40.059 39.000 -0.246 0.000 1.260 411 F HN 0.490 nan 8.300 nan 0.000 0.465 412 Y N 1.357 121.716 120.300 0.099 0.000 2.328 412 Y HA 0.443 4.991 4.550 -0.003 0.000 0.336 412 Y C -0.429 175.494 175.900 0.038 0.000 0.960 412 Y CA -1.189 56.921 58.100 0.017 0.000 1.134 412 Y CB 1.902 40.378 38.460 0.027 0.000 1.166 412 Y HN 0.407 nan 8.280 nan 0.000 0.464 413 K N 4.677 125.146 120.400 0.116 0.000 2.276 413 K HA 0.260 4.578 4.320 -0.003 0.000 0.285 413 K C -0.407 176.344 176.600 0.252 0.000 1.062 413 K CA -0.528 55.760 56.287 0.001 0.000 0.918 413 K CB 1.126 33.378 32.500 -0.412 0.000 1.055 413 K HN 0.671 nan 8.250 nan 0.000 0.477 414 Q N 2.358 122.302 119.800 0.241 0.000 2.199 414 Q HA 0.123 4.461 4.340 -0.003 0.000 0.232 414 Q C -1.754 174.493 176.000 0.412 0.000 0.969 414 Q CA -2.023 53.940 55.803 0.268 0.000 0.925 414 Q CB 0.567 29.387 28.738 0.137 0.000 1.198 414 Q HN 0.232 nan 8.270 nan 0.000 0.494 415 P HA -0.214 nan 4.420 nan 0.000 0.217 415 P C 1.178 178.645 177.300 0.278 0.000 1.151 415 P CA 1.732 65.077 63.100 0.408 0.000 0.849 415 P CB 0.105 31.948 31.700 0.239 0.000 0.787 416 M N -2.900 116.718 119.600 0.031 0.000 2.144 416 M HA -0.197 4.282 4.480 -0.003 0.000 0.260 416 M C 2.016 178.390 176.300 0.123 0.000 1.067 416 M CA 1.807 57.018 55.300 -0.149 0.000 1.095 416 M CB -0.877 31.411 32.600 -0.520 0.000 1.365 416 M HN -0.066 nan 8.290 nan 0.000 0.406 417 F N 0.238 120.213 119.950 0.042 0.000 2.095 417 F HA -0.282 4.243 4.527 -0.003 0.000 0.298 417 F C 1.875 177.621 175.800 -0.089 0.000 1.104 417 F CA 1.747 59.706 58.000 -0.068 0.000 1.232 417 F CB -0.410 38.390 39.000 -0.333 0.000 0.987 417 F HN 0.011 nan 8.300 nan 0.000 0.475 418 Y N -0.703 119.817 120.300 0.368 0.000 2.263 418 Y HA -0.177 4.372 4.550 -0.003 0.000 0.292 418 Y C 2.786 178.848 175.900 0.269 0.000 1.130 418 Y CA 1.742 60.025 58.100 0.305 0.000 1.179 418 Y CB -1.015 37.697 38.460 0.419 0.000 0.998 418 Y HN 0.162 nan 8.280 nan 0.000 0.532 419 H N -0.462 118.772 119.070 0.274 0.000 2.353 419 H HA -0.168 4.386 4.556 -0.003 0.000 0.300 419 H C 2.328 177.816 175.328 0.268 0.000 1.090 419 H CA 1.696 57.862 56.048 0.197 0.000 1.327 419 H CB -0.284 29.500 29.762 0.037 0.000 1.383 419 H HN 0.332 nan 8.280 nan 0.000 0.508 420 L N 0.073 121.467 121.223 0.286 0.000 2.046 420 L HA -0.096 4.242 4.340 -0.003 0.000 0.208 420 L C 2.730 179.634 176.870 0.057 0.000 1.077 420 L CA 1.109 56.063 54.840 0.189 0.000 0.747 420 L CB -0.459 41.737 42.059 0.229 0.000 0.896 420 L HN 0.281 nan 8.230 nan 0.000 0.432 421 G N -2.131 106.594 108.800 -0.126 0.000 2.448 421 G HA2 -0.251 3.707 3.960 -0.003 0.000 0.219 421 G HA3 -0.251 3.707 3.960 -0.003 0.000 0.219 421 G C 1.321 176.084 174.900 -0.230 0.000 1.127 421 G CA 0.260 45.190 45.100 -0.283 0.000 0.766 421 G HN 0.455 nan 8.290 nan 0.000 0.552 422 H N -0.867 118.138 119.070 -0.108 0.000 2.518 422 H HA -0.002 4.552 4.556 -0.003 0.000 0.289 422 H C 1.725 176.834 175.328 -0.365 0.000 1.051 422 H CA 1.048 57.006 56.048 -0.151 0.000 1.280 422 H CB 0.134 29.710 29.762 -0.309 0.000 1.380 422 H HN 0.491 nan 8.280 nan 0.000 0.566 423 F N -0.306 119.551 119.950 -0.154 0.000 2.390 423 F HA -0.068 4.458 4.527 -0.003 0.000 0.281 423 F C 2.839 178.240 175.800 -0.666 0.000 1.016 423 F CA 0.636 58.375 58.000 -0.436 0.000 1.286 423 F CB -0.539 37.997 39.000 -0.774 0.000 1.134 423 F HN -0.007 nan 8.300 nan 0.000 0.597 424 S N 0.454 115.814 115.700 -0.566 0.000 2.382 424 S HA -0.239 4.229 4.470 -0.003 0.000 0.228 424 S C 1.961 176.371 174.600 -0.317 0.000 1.027 424 S CA 1.436 59.377 58.200 -0.431 0.000 0.991 424 S CB -0.610 62.535 63.200 -0.092 0.000 0.823 424 S HN 0.356 nan 8.310 nan 0.000 0.469 425 K N 0.149 120.207 120.400 -0.571 0.000 2.148 425 K HA 0.061 4.379 4.320 -0.003 0.000 0.204 425 K C 0.856 176.941 176.600 -0.858 0.000 1.050 425 K CA 1.295 57.037 56.287 -0.909 0.000 0.942 425 K CB -0.146 31.399 32.500 -1.591 0.000 0.724 425 K HN 0.581 nan 8.250 nan 0.000 0.446 426 F N -0.457 119.362 119.950 -0.218 0.000 2.706 426 F HA 0.297 4.822 4.527 -0.003 0.000 0.308 426 F C 0.278 176.063 175.800 -0.025 0.000 1.095 426 F CA -0.490 57.419 58.000 -0.150 0.000 1.244 426 F CB 0.893 39.762 39.000 -0.219 0.000 1.063 426 F HN -0.191 nan 8.300 nan 0.000 0.582 427 I N 3.244 123.876 120.570 0.103 0.000 2.621 427 I HA 0.240 4.408 4.170 -0.003 0.000 0.276 427 I C -2.453 173.756 176.117 0.154 0.000 1.118 427 I CA -1.951 59.445 61.300 0.160 0.000 1.159 427 I CB 0.642 38.795 38.000 0.255 0.000 1.357 427 I HN -0.238 nan 8.210 nan 0.000 0.513 428 P HA 0.067 nan 4.420 nan 0.000 0.274 428 P C -0.143 177.149 177.300 -0.015 0.000 1.256 428 P CA -0.345 62.757 63.100 0.002 0.000 0.795 428 P CB 0.778 32.428 31.700 -0.084 0.000 1.038 429 E N -0.152 120.034 120.200 -0.022 0.000 2.608 429 E HA 0.122 4.470 4.350 -0.003 0.000 0.259 429 E C 1.010 177.568 176.600 -0.070 0.000 0.951 429 E CA 1.167 57.534 56.400 -0.055 0.000 0.945 429 E CB -0.782 28.868 29.700 -0.084 0.000 0.916 429 E HN 0.784 nan 8.360 nan 0.000 0.477 430 G N 3.002 111.771 108.800 -0.051 0.000 2.176 430 G HA2 -0.264 3.694 3.960 -0.003 0.000 0.232 430 G HA3 -0.264 3.694 3.960 -0.003 0.000 0.232 430 G C 0.228 175.100 174.900 -0.045 0.000 0.986 430 G CA 0.135 45.209 45.100 -0.044 0.000 0.643 430 G HN 0.594 nan 8.290 nan 0.000 0.522 431 S N -0.164 115.507 115.700 -0.049 0.000 2.584 431 S HA 0.486 4.954 4.470 -0.003 0.000 0.270 431 S C 0.181 174.797 174.600 0.026 0.000 1.346 431 S CA 0.459 58.645 58.200 -0.022 0.000 1.018 431 S CB 1.598 64.806 63.200 0.014 0.000 0.899 431 S HN 0.670 nan 8.310 nan 0.000 0.542 432 Q N 0.962 120.787 119.800 0.040 0.000 2.337 432 Q HA 0.362 4.700 4.340 -0.003 0.000 0.270 432 Q C -0.621 175.431 176.000 0.087 0.000 1.043 432 Q CA -0.730 55.111 55.803 0.064 0.000 0.794 432 Q CB 1.244 30.012 28.738 0.051 0.000 1.281 432 Q HN 0.632 nan 8.270 nan 0.000 0.446 433 R N 2.473 123.045 120.500 0.120 0.000 2.537 433 R HA 0.301 4.639 4.340 -0.003 0.000 0.280 433 R C -0.419 176.025 176.300 0.240 0.000 1.058 433 R CA 0.049 56.233 56.100 0.141 0.000 1.057 433 R CB 0.419 30.774 30.300 0.091 0.000 0.973 433 R HN 0.509 nan 8.270 nan 0.000 0.438 434 V N 1.055 121.092 119.914 0.205 0.000 3.181 434 V HA 0.764 4.883 4.120 -0.003 0.000 0.314 434 V C 0.337 176.612 176.094 0.301 0.000 1.173 434 V CA -0.678 61.771 62.300 0.248 0.000 1.052 434 V CB 1.338 33.225 31.823 0.107 0.000 1.123 434 V HN 0.843 nan 8.190 nan 0.000 0.454 435 G N 0.055 109.046 108.800 0.318 0.000 2.527 435 G HA2 0.544 4.502 3.960 -0.003 0.000 0.248 435 G HA3 0.544 4.502 3.960 -0.003 0.000 0.248 435 G C -1.119 173.847 174.900 0.110 0.000 1.231 435 G CA -0.113 45.154 45.100 0.278 0.000 0.838 435 G HN 1.257 nan 8.290 nan 0.000 0.570 436 L N 1.755 123.007 121.223 0.049 0.000 2.588 436 L HA 0.598 4.936 4.340 -0.003 0.000 0.263 436 L C -0.479 176.394 176.870 0.004 0.000 0.935 436 L CA -0.723 54.131 54.840 0.023 0.000 0.891 436 L CB 2.214 44.281 42.059 0.012 0.000 1.318 436 L HN 0.764 nan 8.230 nan 0.000 0.409 437 V N 1.793 121.712 119.914 0.010 0.000 2.823 437 V HA 1.061 5.179 4.120 -0.003 0.000 0.312 437 V C -0.337 175.760 176.094 0.005 0.000 1.072 437 V CA -0.198 62.107 62.300 0.008 0.000 0.937 437 V CB 1.526 33.361 31.823 0.020 0.000 1.013 437 V HN 1.100 nan 8.190 nan 0.000 0.430 438 A N 2.274 125.099 122.820 0.007 0.000 2.337 438 A HA 0.735 5.053 4.320 -0.003 0.000 0.329 438 A C 0.983 178.576 177.584 0.015 0.000 1.146 438 A CA -0.023 52.018 52.037 0.007 0.000 0.800 438 A CB 1.699 20.704 19.000 0.009 0.000 1.220 438 A HN 1.881 nan 8.150 nan 0.000 0.472 439 S N 0.815 116.524 115.700 0.016 0.000 2.489 439 S HA 0.072 4.540 4.470 -0.003 0.000 0.228 439 S C 0.554 175.169 174.600 0.024 0.000 0.995 439 S CA 0.926 59.141 58.200 0.025 0.000 0.934 439 S CB -0.423 62.797 63.200 0.033 0.000 0.771 439 S HN 0.981 nan 8.310 nan 0.000 0.522 440 Q N -1.191 118.621 119.800 0.021 0.000 2.630 440 Q HA 0.450 4.788 4.340 -0.003 0.000 0.295 440 Q C -1.706 174.306 176.000 0.020 0.000 0.944 440 Q CA -1.206 54.609 55.803 0.020 0.000 0.766 440 Q CB 0.776 29.526 28.738 0.020 0.000 1.471 440 Q HN -0.124 nan 8.270 nan 0.000 0.416 441 K N 1.294 121.707 120.400 0.021 0.000 2.436 441 K HA 0.312 4.630 4.320 -0.003 0.000 0.275 441 K C -0.525 176.087 176.600 0.021 0.000 0.999 441 K CA 0.702 57.003 56.287 0.023 0.000 0.980 441 K CB -0.491 32.023 32.500 0.024 0.000 0.919 441 K HN 0.873 nan 8.250 nan 0.000 0.484 442 N N -1.191 117.524 118.700 0.025 0.000 2.927 442 N HA 0.291 5.029 4.740 -0.003 0.000 0.248 442 N C -1.163 174.365 175.510 0.030 0.000 1.443 442 N CA -0.859 52.204 53.050 0.022 0.000 0.870 442 N CB 1.254 39.752 38.487 0.018 0.000 1.444 442 N HN 0.270 nan 8.380 nan 0.000 0.519 443 D N -0.055 120.362 120.400 0.028 0.000 2.427 443 D HA 0.244 4.882 4.640 -0.003 0.000 0.224 443 D C -0.307 176.024 176.300 0.052 0.000 1.157 443 D CA 0.098 54.120 54.000 0.037 0.000 0.828 443 D CB 0.167 40.981 40.800 0.023 0.000 0.974 443 D HN 0.364 nan 8.370 nan 0.000 0.498 444 L N 0.705 121.959 121.223 0.051 0.000 2.343 444 L HA 0.326 4.664 4.340 -0.003 0.000 0.275 444 L C 0.280 177.204 176.870 0.089 0.000 1.056 444 L CA -0.671 54.207 54.840 0.063 0.000 0.804 444 L CB 1.360 43.442 42.059 0.040 0.000 1.203 444 L HN -0.279 nan 8.230 nan 0.000 0.440 445 D N 2.008 122.480 120.400 0.120 0.000 2.193 445 D HA 0.656 5.294 4.640 -0.003 0.000 0.244 445 D C -0.550 175.812 176.300 0.103 0.000 1.064 445 D CA -0.013 54.064 54.000 0.129 0.000 0.845 445 D CB 2.276 43.190 40.800 0.189 0.000 1.148 445 D HN 0.607 nan 8.370 nan 0.000 0.464 446 A N 1.353 124.219 122.820 0.076 0.000 2.574 446 A HA 0.669 4.987 4.320 -0.003 0.000 0.297 446 A C -1.515 176.100 177.584 0.051 0.000 1.062 446 A CA -0.724 51.355 52.037 0.072 0.000 0.686 446 A CB 2.067 21.099 19.000 0.053 0.000 1.285 446 A HN 0.349 nan 8.150 nan 0.000 0.403 447 V N 0.466 120.422 119.914 0.070 0.000 2.969 447 V HA 0.821 4.939 4.120 -0.003 0.000 0.304 447 V C -0.671 175.459 176.094 0.060 0.000 1.192 447 V CA 0.230 62.559 62.300 0.048 0.000 0.962 447 V CB 1.869 33.737 31.823 0.075 0.000 1.045 447 V HN 2.161 nan 8.190 nan 0.000 0.428 448 A N 6.340 129.182 122.820 0.037 0.000 2.342 448 A HA 0.992 5.310 4.320 -0.003 0.000 0.323 448 A C -1.492 176.113 177.584 0.034 0.000 1.125 448 A CA -0.501 51.557 52.037 0.035 0.000 0.785 448 A CB 1.382 20.407 19.000 0.041 0.000 1.221 448 A HN 0.911 nan 8.150 nan 0.000 0.463 449 L N 0.965 122.194 121.223 0.010 0.000 2.359 449 L HA 0.677 5.015 4.340 -0.003 0.000 0.256 449 L C -0.260 176.596 176.870 -0.024 0.000 1.026 449 L CA -0.306 54.550 54.840 0.026 0.000 0.828 449 L CB 2.100 44.200 42.059 0.068 0.000 1.406 449 L HN 0.809 nan 8.230 nan 0.000 0.413 450 M N 1.220 120.822 119.600 0.003 0.000 2.167 450 M HA 0.384 4.862 4.480 -0.003 0.000 0.333 450 M C -0.515 175.812 176.300 0.044 0.000 1.030 450 M CA -0.523 54.773 55.300 -0.007 0.000 0.963 450 M CB 0.891 33.491 32.600 -0.001 0.000 1.589 450 M HN 0.629 nan 8.290 nan 0.000 0.431 451 H N 5.868 124.911 119.070 -0.045 0.000 2.929 451 H HA 0.083 4.637 4.556 -0.003 0.000 0.358 451 H C -2.011 173.320 175.328 0.004 0.000 1.111 451 H CA -0.021 56.021 56.048 -0.010 0.000 1.409 451 H CB 1.014 30.764 29.762 -0.021 0.000 1.373 451 H HN 0.530 nan 8.280 nan 0.000 0.610 452 P HA -0.190 nan 4.420 nan 0.000 0.217 452 P C 0.834 178.220 177.300 0.142 0.000 1.151 452 P CA 1.962 65.053 63.100 -0.015 0.000 0.849 452 P CB 0.052 31.684 31.700 -0.113 0.000 0.787 453 D N -2.003 118.628 120.400 0.384 0.000 2.371 453 D HA 0.020 4.658 4.640 -0.003 0.000 0.221 453 D C 1.448 177.835 176.300 0.146 0.000 0.986 453 D CA 1.003 55.148 54.000 0.242 0.000 0.899 453 D CB -0.980 39.949 40.800 0.215 0.000 0.902 453 D HN 0.266 nan 8.370 nan 0.000 0.530 454 G N -0.183 108.701 108.800 0.140 0.000 2.176 454 G HA2 -0.272 3.686 3.960 -0.003 0.000 0.232 454 G HA3 -0.272 3.686 3.960 -0.003 0.000 0.232 454 G C 0.406 175.323 174.900 0.027 0.000 0.986 454 G CA 0.350 45.493 45.100 0.071 0.000 0.643 454 G HN 0.840 nan 8.290 nan 0.000 0.522 455 S N 0.121 115.831 115.700 0.016 0.000 2.593 455 S HA 0.756 5.224 4.470 -0.003 0.000 0.269 455 S C 0.562 175.005 174.600 -0.262 0.000 1.334 455 S CA 0.487 58.612 58.200 -0.125 0.000 1.015 455 S CB 1.961 65.045 63.200 -0.192 0.000 0.912 455 S HN 1.894 nan 8.310 nan 0.000 0.541 456 A N 1.248 123.700 122.820 -0.612 0.000 2.304 456 A HA 0.691 5.009 4.320 -0.003 0.000 0.301 456 A C -0.555 176.617 177.584 -0.688 0.000 1.132 456 A CA -0.796 50.743 52.037 -0.830 0.000 0.819 456 A CB 0.545 18.530 19.000 -1.692 0.000 1.094 456 A HN 0.978 nan 8.150 nan 0.000 0.492 457 V N 2.254 121.918 119.914 -0.418 0.000 2.525 457 V HA 0.469 4.587 4.120 -0.003 0.000 0.299 457 V C -0.739 175.289 176.094 -0.110 0.000 1.034 457 V CA -0.467 61.709 62.300 -0.207 0.000 0.863 457 V CB 1.579 33.375 31.823 -0.045 0.000 0.999 457 V HN 0.664 nan 8.190 nan 0.000 0.423 458 V N 5.270 125.199 119.914 0.025 0.000 2.487 458 V HA 0.524 4.642 4.120 -0.003 0.000 0.298 458 V C -0.291 175.902 176.094 0.164 0.000 1.028 458 V CA -0.672 61.707 62.300 0.133 0.000 0.860 458 V CB 2.100 34.064 31.823 0.234 0.000 0.991 458 V HN 0.609 nan 8.190 nan 0.000 0.427 459 V N 5.460 125.423 119.914 0.083 0.000 2.394 459 V HA 0.534 4.652 4.120 -0.003 0.000 0.282 459 V C -0.200 175.945 176.094 0.085 0.000 1.031 459 V CA -0.537 61.767 62.300 0.007 0.000 0.881 459 V CB 1.784 33.456 31.823 -0.252 0.000 0.982 459 V HN 0.608 nan 8.190 nan 0.000 0.451 460 V N 6.215 126.197 119.914 0.113 0.000 2.444 460 V HA 0.491 4.609 4.120 -0.003 0.000 0.294 460 V C -0.544 175.578 176.094 0.047 0.000 1.022 460 V CA -0.523 61.842 62.300 0.108 0.000 0.850 460 V CB 1.659 33.584 31.823 0.170 0.000 0.992 460 V HN 0.701 nan 8.190 nan 0.000 0.426 461 L N 4.744 126.013 121.223 0.076 0.000 2.313 461 L HA 0.655 4.993 4.340 -0.003 0.000 0.283 461 L C -0.286 176.647 176.870 0.105 0.000 1.013 461 L CA -0.012 54.888 54.840 0.100 0.000 0.816 461 L CB 1.686 43.851 42.059 0.176 0.000 1.236 461 L HN 0.607 nan 8.230 nan 0.000 0.419 462 N N 4.028 122.788 118.700 0.101 0.000 2.439 462 N HA 0.261 4.999 4.740 -0.003 0.000 0.249 462 N C 0.378 175.983 175.510 0.159 0.000 1.003 462 N CA -0.145 52.956 53.050 0.085 0.000 0.942 462 N CB 0.938 39.436 38.487 0.019 0.000 1.115 462 N HN 0.628 nan 8.380 nan 0.000 0.505 463 R N 0.832 121.416 120.500 0.139 0.000 2.323 463 R HA 0.025 4.363 4.340 -0.003 0.000 0.198 463 R C 0.256 176.659 176.300 0.170 0.000 0.988 463 R CA 0.234 56.437 56.100 0.172 0.000 1.041 463 R CB -0.037 30.325 30.300 0.104 0.000 0.926 463 R HN 0.630 nan 8.270 nan 0.000 0.476 464 S N -1.376 114.337 115.700 0.023 0.000 2.638 464 S HA 0.193 4.661 4.470 -0.003 0.000 0.302 464 S C 0.907 175.174 174.600 -0.554 0.000 1.096 464 S CA -0.633 57.495 58.200 -0.120 0.000 0.953 464 S CB 2.000 65.157 63.200 -0.072 0.000 1.107 464 S HN 0.076 nan 8.310 nan 0.000 0.503 465 S N -0.040 115.307 115.700 -0.588 0.000 2.561 465 S HA 0.151 4.619 4.470 -0.003 0.000 0.225 465 S C 0.334 174.709 174.600 -0.375 0.000 0.977 465 S CA -0.026 57.708 58.200 -0.777 0.000 0.926 465 S CB -0.427 62.575 63.200 -0.330 0.000 0.769 465 S HN 0.597 nan 8.310 nan 0.000 0.533 466 K N 2.771 123.029 120.400 -0.236 0.000 2.183 466 K HA 0.335 4.653 4.320 -0.003 0.000 0.274 466 K C -1.043 175.494 176.600 -0.106 0.000 1.009 466 K CA -0.513 55.697 56.287 -0.129 0.000 0.888 466 K CB 0.686 33.139 32.500 -0.079 0.000 1.078 466 K HN 0.150 nan 8.250 nan 0.000 0.459 467 D N 1.468 121.824 120.400 -0.072 0.000 2.493 467 D HA 0.020 4.658 4.640 -0.003 0.000 0.240 467 D C -0.277 176.006 176.300 -0.029 0.000 1.142 467 D CA 0.192 54.167 54.000 -0.042 0.000 0.872 467 D CB 0.657 41.446 40.800 -0.019 0.000 1.173 467 D HN 0.006 nan 8.370 nan 0.000 0.467 468 V N 5.300 125.200 119.914 -0.022 0.000 2.357 468 V HA 0.247 4.365 4.120 -0.003 0.000 0.281 468 V C -2.168 173.926 176.094 -0.001 0.000 1.015 468 V CA -1.585 60.707 62.300 -0.013 0.000 0.827 468 V CB 1.691 33.503 31.823 -0.017 0.000 1.018 468 V HN 0.427 nan 8.190 nan 0.000 0.432 469 P HA 0.418 nan 4.420 nan 0.000 0.271 469 P C -0.847 176.454 177.300 0.002 0.000 1.216 469 P CA -0.031 63.078 63.100 0.015 0.000 0.776 469 P CB 1.286 32.998 31.700 0.020 0.000 0.881 470 L N -0.646 120.569 121.223 -0.013 0.000 2.720 470 L HA 0.802 5.140 4.340 -0.003 0.000 0.261 470 L C -1.117 175.691 176.870 -0.103 0.000 1.046 470 L CA -0.675 54.135 54.840 -0.049 0.000 0.886 470 L CB 1.806 43.828 42.059 -0.061 0.000 1.493 470 L HN 0.115 nan 8.230 nan 0.000 0.407 471 T N 1.321 115.782 114.554 -0.155 0.000 2.876 471 T HA 0.721 5.069 4.350 -0.003 0.000 0.289 471 T C -0.500 174.049 174.700 -0.252 0.000 1.014 471 T CA -0.250 61.706 62.100 -0.241 0.000 0.986 471 T CB 1.635 70.245 68.868 -0.431 0.000 1.021 471 T HN 0.520 nan 8.240 nan 0.000 0.458 472 I N 2.349 122.723 120.570 -0.326 0.000 2.378 472 I HA 0.439 4.607 4.170 -0.003 0.000 0.291 472 I C 0.049 175.947 176.117 -0.365 0.000 0.992 472 I CA -0.830 60.271 61.300 -0.333 0.000 1.154 472 I CB 1.719 39.450 38.000 -0.449 0.000 1.315 472 I HN 0.343 nan 8.210 nan 0.000 0.448 473 K N 5.055 125.262 120.400 -0.322 0.000 2.213 473 K HA 0.263 4.581 4.320 -0.003 0.000 0.270 473 K C -1.160 175.229 176.600 -0.352 0.000 1.002 473 K CA -0.504 55.457 56.287 -0.544 0.000 0.868 473 K CB 1.141 33.351 32.500 -0.484 0.000 1.093 473 K HN 0.469 nan 8.250 nan 0.000 0.454 474 D N 6.367 126.542 120.400 -0.375 0.000 2.414 474 D HA 0.210 4.848 4.640 -0.003 0.000 0.232 474 D C -1.634 174.564 176.300 -0.169 0.000 1.070 474 D CA -2.492 51.447 54.000 -0.102 0.000 0.839 474 D CB 1.811 42.708 40.800 0.162 0.000 1.079 474 D HN 0.321 nan 8.370 nan 0.000 0.521 475 P HA -0.148 nan 4.420 nan 0.000 0.218 475 P C 0.956 178.225 177.300 -0.051 0.000 1.146 475 P CA 0.834 63.874 63.100 -0.101 0.000 0.813 475 P CB 0.301 31.975 31.700 -0.042 0.000 0.778 476 A N -0.235 122.582 122.820 -0.005 0.000 1.970 476 A HA -0.022 4.296 4.320 -0.003 0.000 0.216 476 A C 2.228 179.830 177.584 0.030 0.000 1.170 476 A CA 2.013 54.066 52.037 0.027 0.000 0.645 476 A CB -1.047 17.988 19.000 0.059 0.000 0.816 476 A HN 0.229 nan 8.150 nan 0.000 0.447 477 V N -5.297 114.626 119.914 0.015 0.000 3.090 477 V HA 0.645 4.763 4.120 -0.003 0.000 0.237 477 V C 1.080 177.146 176.094 -0.047 0.000 1.209 477 V CA 1.012 63.325 62.300 0.022 0.000 1.209 477 V CB -0.322 31.562 31.823 0.101 0.000 0.971 477 V HN 1.404 nan 8.190 nan 0.000 0.477 478 G N 0.161 108.855 108.800 -0.176 0.000 2.288 478 G HA2 0.215 4.173 3.960 -0.003 0.000 0.227 478 G HA3 0.215 4.173 3.960 -0.003 0.000 0.227 478 G C -1.598 173.013 174.900 -0.483 0.000 1.339 478 G CA -0.321 44.657 45.100 -0.203 0.000 1.057 478 G HN 0.369 nan 8.290 nan 0.000 0.470 479 F N -0.116 119.720 119.950 -0.191 0.000 2.540 479 F HA 0.761 5.286 4.527 -0.003 0.000 0.317 479 F C -0.255 175.357 175.800 -0.313 0.000 1.104 479 F CA -0.724 57.121 58.000 -0.258 0.000 0.913 479 F CB 2.216 41.120 39.000 -0.159 0.000 1.170 479 F HN 0.294 nan 8.300 nan 0.000 0.450 480 L N 3.742 124.775 121.223 -0.316 0.000 2.280 480 L HA 0.411 4.749 4.340 -0.003 0.000 0.287 480 L C -0.304 176.375 176.870 -0.318 0.000 1.023 480 L CA -0.527 54.013 54.840 -0.500 0.000 0.819 480 L CB 0.977 42.378 42.059 -1.096 0.000 1.212 480 L HN 0.416 nan 8.230 nan 0.000 0.420 481 E N 2.088 122.220 120.200 -0.113 0.000 2.200 481 E HA 0.555 4.903 4.350 -0.003 0.000 0.283 481 E C -0.182 176.415 176.600 -0.004 0.000 1.015 481 E CA -0.107 56.267 56.400 -0.043 0.000 0.819 481 E CB 2.096 31.821 29.700 0.041 0.000 1.081 481 E HN 0.523 nan 8.360 nan 0.000 0.397 482 T N 1.587 116.127 114.554 -0.023 0.000 2.731 482 T HA 0.671 5.019 4.350 -0.003 0.000 0.300 482 T C -1.547 173.205 174.700 0.087 0.000 1.283 482 T CA -0.539 61.605 62.100 0.073 0.000 1.005 482 T CB 0.790 69.685 68.868 0.046 0.000 1.420 482 T HN 0.305 nan 8.240 nan 0.000 0.503 483 I N 1.019 121.688 120.570 0.165 0.000 2.730 483 I HA 0.624 4.792 4.170 -0.003 0.000 0.298 483 I C -0.270 175.937 176.117 0.151 0.000 1.089 483 I CA -0.821 60.549 61.300 0.118 0.000 1.041 483 I CB 2.198 40.259 38.000 0.102 0.000 1.235 483 I HN 0.441 nan 8.210 nan 0.000 0.423 484 S N 4.929 120.646 115.700 0.028 0.000 2.474 484 S HA 0.594 5.062 4.470 -0.003 0.000 0.320 484 S C -2.510 172.044 174.600 -0.076 0.000 1.067 484 S CA -1.479 56.652 58.200 -0.116 0.000 1.127 484 S CB 0.240 63.375 63.200 -0.109 0.000 0.971 484 S HN 0.333 nan 8.310 nan 0.000 0.472 485 P HA 0.133 nan 4.420 nan 0.000 0.268 485 P C 0.345 177.620 177.300 -0.042 0.000 1.208 485 P CA 0.014 63.104 63.100 -0.016 0.000 0.777 485 P CB 0.275 31.998 31.700 0.037 0.000 0.875 486 G N 1.717 110.465 108.800 -0.086 0.000 2.224 486 G HA2 -0.080 3.878 3.960 -0.003 0.000 0.239 486 G HA3 -0.080 3.878 3.960 -0.003 0.000 0.239 486 G C -0.218 174.639 174.900 -0.071 0.000 1.240 486 G CA 0.171 45.142 45.100 -0.215 0.000 0.896 486 G HN 0.724 nan 8.290 nan 0.000 0.496 487 Y N -0.317 120.065 120.300 0.138 0.000 4.894 487 Y HA -0.343 4.205 4.550 -0.003 0.000 0.270 487 Y C 1.963 178.153 175.900 0.484 0.000 0.930 487 Y CA 0.707 58.993 58.100 0.310 0.000 1.814 487 Y CB -1.827 36.784 38.460 0.251 0.000 1.235 487 Y HN 0.956 nan 8.280 nan 0.000 0.480 488 S N 0.831 116.746 115.700 0.359 0.000 2.624 488 S HA 0.633 5.101 4.470 -0.003 0.000 0.263 488 S C -0.302 174.436 174.600 0.229 0.000 1.287 488 S CA -0.356 58.029 58.200 0.307 0.000 0.990 488 S CB 2.429 65.676 63.200 0.079 0.000 0.950 488 S HN 0.358 nan 8.310 nan 0.000 0.561 489 I N 0.626 121.273 120.570 0.130 0.000 2.582 489 I HA 0.491 4.659 4.170 -0.003 0.000 0.292 489 I C -1.207 174.852 176.117 -0.096 0.000 1.066 489 I CA -0.658 60.553 61.300 -0.150 0.000 1.053 489 I CB 1.648 39.340 38.000 -0.513 0.000 1.241 489 I HN 0.849 nan 8.210 nan 0.000 0.421 490 H N 4.186 123.142 119.070 -0.191 0.000 2.637 490 H HA 0.462 5.016 4.556 -0.003 0.000 0.363 490 H C -1.077 174.199 175.328 -0.086 0.000 1.131 490 H CA -0.985 54.992 56.048 -0.119 0.000 1.183 490 H CB 2.329 32.020 29.762 -0.117 0.000 1.637 490 H HN 0.408 nan 8.280 nan 0.000 0.531 491 T N 2.921 117.509 114.554 0.058 0.000 2.792 491 T HA 0.262 4.610 4.350 -0.003 0.000 0.280 491 T C -0.980 173.556 174.700 -0.274 0.000 0.990 491 T CA -0.651 61.396 62.100 -0.089 0.000 0.960 491 T CB 0.438 69.172 68.868 -0.223 0.000 0.939 491 T HN 0.292 nan 8.240 nan 0.000 0.439 492 Y N 2.419 122.741 120.300 0.038 0.000 2.360 492 Y HA 0.658 5.206 4.550 -0.003 0.000 0.337 492 Y C 0.054 176.014 175.900 0.101 0.000 1.039 492 Y CA -1.187 56.999 58.100 0.142 0.000 1.109 492 Y CB 1.074 39.677 38.460 0.238 0.000 1.201 492 Y HN 0.383 nan 8.280 nan 0.000 0.458 493 L N 3.354 124.746 121.223 0.282 0.000 2.386 493 L HA 0.645 4.983 4.340 -0.003 0.000 0.271 493 L C -1.276 175.787 176.870 0.322 0.000 0.993 493 L CA -0.825 54.067 54.840 0.086 0.000 0.819 493 L CB 1.770 43.791 42.059 -0.064 0.000 1.294 493 L HN 0.820 nan 8.230 nan 0.000 0.414 494 W N 0.548 121.812 121.300 -0.060 0.000 3.248 494 W HA 0.511 5.169 4.660 -0.003 0.000 0.311 494 W C -1.232 175.199 176.519 -0.147 0.000 1.258 494 W CA -0.772 56.524 57.345 -0.082 0.000 1.191 494 W CB 0.462 29.956 29.460 0.057 0.000 1.389 494 W HN 0.283 nan 8.180 nan 0.000 0.561 495 H N 2.084 121.281 119.070 0.211 0.000 2.562 495 H HA 0.367 4.922 4.556 -0.003 0.000 0.352 495 H C 0.508 175.955 175.328 0.199 0.000 1.125 495 H CA -0.012 56.100 56.048 0.107 0.000 1.379 495 H CB 1.727 31.543 29.762 0.090 0.000 1.464 495 H HN 0.552 nan 8.280 nan 0.000 0.563 496 R N 0.959 121.606 120.500 0.245 0.000 2.472 496 R HA 0.247 4.585 4.340 -0.003 0.000 0.279 496 R C 0.449 176.838 176.300 0.148 0.000 0.953 496 R CA 0.049 56.274 56.100 0.209 0.000 1.088 496 R CB 0.955 31.329 30.300 0.123 0.000 1.197 496 R HN 0.784 nan 8.270 nan 0.000 0.536 497 Q N 0.000 119.878 119.800 0.131 0.000 2.315 497 Q HA 0.000 4.338 4.340 -0.003 0.000 0.214 497 Q CA 0.000 nan 55.803 nan 0.000 1.022 497 Q CB 0.000 nan 28.738 nan 0.000 1.108 497 Q HN 0.000 nan 8.270 nan 0.000 0.481