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 2nt1_1_C DATA FIRST_RESID 1 DATA SEQUENCE ARPcIPKSFG YSSVVcVcNA TYcDSFDPPT FPALGTFSRY ESTRSGRRME DATA SEQUENCE LSMGPIQANH TGTGLLLTLQ PEQKFQKVKG FGGAMTDAAA LNILALSPPA DATA SEQUENCE QNLLLKSYFS EEGIGYNIIR VPMASCDFSI RTYTYADTPD DFQLHNFSLP DATA SEQUENCE EEDTKLKIPL IHRALQLAQR PVSLLASPWT SPTWLKTNGA VNGKGSLKGQ DATA SEQUENCE PGDIYHQTWA RYFVKFLDAY AEHKLQFWAV TAENEPSAGL LSGYPFQCLG DATA SEQUENCE FTPEHQRDFI ARDLGPTLAN STHHNVRLLM LDDQRLLLPH WAKVVLTDPE DATA SEQUENCE AAKYVHGIAV HWYLDFLAPA KATLGETHRL FPNTMLFASE ACVGSKFWEQ DATA SEQUENCE SVRLGSWDRG MQYSHSIITN LLYHVVGWTD WNLALNPEGG PNWVRNFVDS DATA SEQUENCE PIIVDITKDT FYKQPMFYHL GHFSKFIPEG SQRVGLVASQ KNDLDAVALM DATA SEQUENCE HPDGSAVVVV LNRSSKDVPL TIKDPAVGFL ETISPGYSIH TYLWHRQ VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.545 177.584 -0.065 0.000 1.274 1 A CA 0.000 52.019 52.037 -0.030 0.000 0.836 1 A CB 0.000 18.981 19.000 -0.031 0.000 0.831 2 R N 1.258 121.679 120.500 -0.132 0.000 2.393 2 R HA 0.569 4.910 4.340 0.002 0.000 0.310 2 R C -2.749 173.495 176.300 -0.094 0.000 0.968 2 R CA -1.849 54.162 56.100 -0.148 0.000 0.867 2 R CB 1.638 31.700 30.300 -0.397 0.000 1.124 2 R HN 0.393 nan 8.270 nan 0.000 0.450 3 P HA 0.029 nan 4.420 nan 0.000 0.276 3 P C -0.258 177.108 177.300 0.110 0.000 1.252 3 P CA -0.620 62.506 63.100 0.044 0.000 0.802 3 P CB 0.751 32.482 31.700 0.051 0.000 1.035 4 c N 3.324 121.953 118.600 0.048 0.000 2.590 4 c HA 0.103 4.674 4.570 0.002 0.000 0.411 4 c C 0.728 174.853 174.090 0.057 0.000 1.420 4 c CA -0.424 55.940 56.329 0.060 0.000 1.643 4 c CB -2.026 40.478 42.510 -0.011 0.000 2.528 4 c HN 0.270 nan 8.230 nan 0.000 0.606 5 I N 9.950 130.557 120.570 0.061 0.000 2.294 5 I HA 0.259 4.430 4.170 0.002 0.000 0.295 5 I C -1.505 174.610 176.117 -0.004 0.000 1.098 5 I CA -2.076 59.199 61.300 -0.042 0.000 1.277 5 I CB 0.432 38.327 38.000 -0.175 0.000 1.434 5 I HN 0.589 nan 8.210 nan 0.000 0.498 6 P HA 0.296 nan 4.420 nan 0.000 0.277 6 P C -0.736 176.563 177.300 -0.001 0.000 1.240 6 P CA -0.577 62.528 63.100 0.008 0.000 0.798 6 P CB 1.704 33.398 31.700 -0.010 0.000 0.979 7 K N 0.726 121.140 120.400 0.024 0.000 2.535 7 K HA 0.410 4.731 4.320 0.002 0.000 0.251 7 K C -1.187 175.385 176.600 -0.045 0.000 0.942 7 K CA -0.534 55.725 56.287 -0.047 0.000 0.798 7 K CB 1.706 34.184 32.500 -0.038 0.000 1.267 7 K HN 0.335 nan 8.250 nan 0.000 0.434 8 S N 3.194 118.797 115.700 -0.161 0.000 2.508 8 S HA 0.489 4.960 4.470 0.002 0.000 0.284 8 S C -0.467 173.940 174.600 -0.321 0.000 1.192 8 S CA -0.544 57.593 58.200 -0.106 0.000 1.070 8 S CB 0.300 63.446 63.200 -0.090 0.000 1.004 8 S HN 0.524 nan 8.310 nan 0.000 0.493 9 F N 2.675 122.589 119.950 -0.061 0.000 2.708 9 F HA 0.382 4.910 4.527 0.002 0.000 0.300 9 F C 1.635 177.276 175.800 -0.266 0.000 1.118 9 F CA 0.057 57.996 58.000 -0.101 0.000 1.307 9 F CB 0.552 39.537 39.000 -0.026 0.000 0.986 9 F HN 0.891 nan 8.300 nan 0.000 0.522 10 G N -0.437 108.278 108.800 -0.142 0.000 2.132 10 G HA2 -0.302 3.659 3.960 0.002 0.000 0.228 10 G HA3 -0.302 3.659 3.960 0.002 0.000 0.228 10 G C -0.169 174.473 174.900 -0.431 0.000 1.000 10 G CA -0.296 44.632 45.100 -0.286 0.000 0.693 10 G HN 0.401 nan 8.290 nan 0.000 0.515 11 Y N -0.269 120.077 120.300 0.077 0.000 2.732 11 Y HA 0.497 5.048 4.550 0.001 0.000 0.327 11 Y C 2.081 178.014 175.900 0.056 0.000 1.162 11 Y CA -0.197 57.945 58.100 0.069 0.000 1.238 11 Y CB 0.857 39.368 38.460 0.084 0.000 1.443 11 Y HN 0.200 nan 8.280 nan 0.000 0.584 12 S N -1.307 114.538 115.700 0.242 0.000 2.447 12 S HA -0.004 4.466 4.470 0.002 0.000 0.233 12 S C 0.670 175.322 174.600 0.087 0.000 1.006 12 S CA 0.823 59.089 58.200 0.111 0.000 0.957 12 S CB -0.062 63.181 63.200 0.071 0.000 0.773 12 S HN 0.420 nan 8.310 nan 0.000 0.507 13 S N -0.394 115.411 115.700 0.176 0.000 2.911 13 S HA 0.714 5.185 4.470 0.002 0.000 0.319 13 S C -0.812 173.891 174.600 0.173 0.000 1.154 13 S CA -0.295 57.995 58.200 0.149 0.000 0.857 13 S CB 1.230 64.593 63.200 0.272 0.000 1.279 13 S HN 0.597 nan 8.310 nan 0.000 0.593 14 V N 0.912 120.920 119.914 0.157 0.000 2.834 14 V HA 0.906 5.027 4.120 0.002 0.000 0.313 14 V C 0.278 176.493 176.094 0.202 0.000 1.060 14 V CA -0.641 61.749 62.300 0.150 0.000 0.989 14 V CB 0.960 32.830 31.823 0.078 0.000 1.041 14 V HN 0.812 nan 8.190 nan 0.000 0.459 15 V N -0.284 119.753 119.914 0.206 0.000 2.997 15 V HA 0.600 4.721 4.120 0.002 0.000 0.311 15 V C 0.174 176.388 176.094 0.201 0.000 1.066 15 V CA -0.494 61.939 62.300 0.220 0.000 1.039 15 V CB 1.123 33.060 31.823 0.190 0.000 1.081 15 V HN 1.077 nan 8.190 nan 0.000 0.467 16 c N 2.884 121.620 118.600 0.227 0.000 2.285 16 c HA 0.599 5.170 4.570 0.002 0.000 0.335 16 c C 0.351 174.527 174.090 0.143 0.000 1.267 16 c CA -0.746 55.681 56.329 0.162 0.000 1.762 16 c CB -0.128 42.486 42.510 0.174 0.000 2.365 16 c HN 0.756 nan 8.230 nan 0.000 0.527 17 V N 3.257 123.243 119.914 0.121 0.000 2.508 17 V HA 0.280 4.401 4.120 0.002 0.000 0.281 17 V C 0.368 176.365 176.094 -0.161 0.000 1.041 17 V CA 0.036 62.363 62.300 0.045 0.000 1.016 17 V CB 0.136 32.017 31.823 0.097 0.000 0.984 17 V HN 1.048 nan 8.190 nan 0.000 0.478 18 c N 5.346 123.653 118.600 -0.488 0.000 2.802 18 c HA 0.825 5.396 4.570 0.002 0.000 0.307 18 c C 0.154 173.818 174.090 -0.709 0.000 1.222 18 c CA -0.636 55.270 56.329 -0.704 0.000 1.580 18 c CB 1.686 43.322 42.510 -1.457 0.000 2.119 18 c HN 1.123 nan 8.230 nan 0.000 0.479 19 N N 0.442 118.929 118.700 -0.354 0.000 3.574 19 N HA 0.520 5.261 4.740 0.002 0.000 0.340 19 N C 0.330 175.848 175.510 0.013 0.000 1.650 19 N CA -0.048 52.916 53.050 -0.143 0.000 0.762 19 N CB 0.090 38.525 38.487 -0.087 0.000 2.206 19 N HN 0.484 nan 8.380 nan 0.000 0.621 20 A N -1.162 121.682 122.820 0.040 0.000 2.067 20 A HA 0.012 4.333 4.320 0.002 0.000 0.219 20 A C 1.454 179.070 177.584 0.053 0.000 1.158 20 A CA 2.429 54.503 52.037 0.061 0.000 0.661 20 A CB -1.225 17.802 19.000 0.044 0.000 0.801 20 A HN 0.871 nan 8.150 nan 0.000 0.452 21 T N -6.372 108.213 114.554 0.052 0.000 2.975 21 T HA 0.340 4.691 4.350 0.002 0.000 0.261 21 T C -0.076 174.682 174.700 0.097 0.000 0.984 21 T CA -0.047 62.090 62.100 0.060 0.000 0.911 21 T CB -0.093 68.810 68.868 0.058 0.000 1.127 21 T HN 0.279 nan 8.240 nan 0.000 0.514 22 Y N 0.394 120.658 120.300 -0.059 0.000 2.396 22 Y HA 0.595 5.146 4.550 0.002 0.000 0.332 22 Y C -1.521 174.304 175.900 -0.125 0.000 1.034 22 Y CA -1.487 56.567 58.100 -0.077 0.000 1.057 22 Y CB 1.759 40.169 38.460 -0.082 0.000 1.220 22 Y HN 0.287 nan 8.280 nan 0.000 0.440 23 c N 7.079 125.446 118.600 -0.388 0.000 2.698 23 c HA 0.387 4.958 4.570 0.002 0.000 0.309 23 c C -1.112 172.717 174.090 -0.436 0.000 1.186 23 c CA -0.848 55.313 56.329 -0.279 0.000 1.474 23 c CB 0.620 43.057 42.510 -0.121 0.000 2.020 23 c HN 0.925 nan 8.230 nan 0.000 0.474 24 D N 3.455 123.717 120.400 -0.229 0.000 2.488 24 D HA 0.322 4.963 4.640 0.002 0.000 0.238 24 D C -0.111 176.034 176.300 -0.259 0.000 1.138 24 D CA 0.437 54.311 54.000 -0.210 0.000 0.873 24 D CB 0.882 41.647 40.800 -0.058 0.000 1.183 24 D HN 0.717 nan 8.370 nan 0.000 0.458 25 S N 0.357 115.861 115.700 -0.327 0.000 2.671 25 S HA 0.692 5.163 4.470 0.002 0.000 0.277 25 S C -0.914 173.418 174.600 -0.446 0.000 1.165 25 S CA -1.058 56.951 58.200 -0.318 0.000 0.822 25 S CB 0.928 64.046 63.200 -0.137 0.000 1.150 25 S HN 0.380 nan 8.310 nan 0.000 0.479 26 F N 0.832 120.803 119.950 0.035 0.000 2.483 26 F HA 0.516 5.044 4.527 0.002 0.000 0.329 26 F C 0.629 176.443 175.800 0.024 0.000 1.064 26 F CA -0.813 57.218 58.000 0.052 0.000 0.986 26 F CB 0.723 39.761 39.000 0.064 0.000 1.218 26 F HN 0.456 nan 8.300 nan 0.000 0.484 27 D N 1.720 122.255 120.400 0.225 0.000 2.362 27 D HA 0.182 4.823 4.640 0.002 0.000 0.242 27 D C -2.249 174.115 176.300 0.106 0.000 1.132 27 D CA -1.070 53.001 54.000 0.117 0.000 0.907 27 D CB 0.435 41.282 40.800 0.078 0.000 1.195 27 D HN 0.109 nan 8.370 nan 0.000 0.429 28 P HA 0.042 nan 4.420 nan 0.000 0.264 28 P C -2.384 174.904 177.300 -0.020 0.000 1.179 28 P CA -0.565 62.551 63.100 0.027 0.000 0.763 28 P CB -0.361 31.351 31.700 0.020 0.000 0.806 29 P HA -0.037 nan 4.420 nan 0.000 0.261 29 P C -0.693 176.419 177.300 -0.314 0.000 1.158 29 P CA 1.025 64.005 63.100 -0.200 0.000 0.758 29 P CB 0.118 31.821 31.700 0.004 0.000 0.763 30 T N 3.509 117.649 114.554 -0.690 0.000 3.548 30 T HA 0.413 4.764 4.350 0.002 0.000 0.329 30 T C -1.015 173.377 174.700 -0.514 0.000 0.960 30 T CA -0.263 61.595 62.100 -0.404 0.000 1.041 30 T CB 0.059 68.818 68.868 -0.181 0.000 1.065 30 T HN -0.033 nan 8.240 nan 0.000 0.459 31 F N 4.183 124.202 119.950 0.115 0.000 2.482 31 F HA 0.596 5.124 4.527 0.002 0.000 0.331 31 F C -1.612 174.144 175.800 -0.072 0.000 1.115 31 F CA -2.266 55.786 58.000 0.086 0.000 0.955 31 F CB 1.072 40.202 39.000 0.216 0.000 1.136 31 F HN 0.287 nan 8.300 nan 0.000 0.452 32 P HA 0.306 nan 4.420 nan 0.000 0.273 32 P C -0.659 176.483 177.300 -0.263 0.000 1.250 32 P CA -0.445 62.607 63.100 -0.081 0.000 0.793 32 P CB 0.683 32.359 31.700 -0.041 0.000 1.011 33 A N 0.880 123.610 122.820 -0.150 0.000 2.429 33 A HA 0.147 4.468 4.320 0.002 0.000 0.242 33 A C 0.337 177.879 177.584 -0.069 0.000 1.088 33 A CA -0.433 51.537 52.037 -0.112 0.000 0.784 33 A CB -0.527 18.458 19.000 -0.025 0.000 1.038 33 A HN 0.637 nan 8.150 nan 0.000 0.501 34 L N 1.285 122.530 121.223 0.036 0.000 2.653 34 L HA 0.323 4.664 4.340 0.002 0.000 0.288 34 L C 1.330 178.242 176.870 0.070 0.000 1.243 34 L CA 2.328 57.236 54.840 0.114 0.000 0.906 34 L CB -0.257 41.879 42.059 0.129 0.000 1.154 34 L HN 1.687 nan 8.230 nan 0.000 0.498 35 G N 1.998 110.847 108.800 0.080 0.000 2.195 35 G HA2 -0.217 3.744 3.960 0.002 0.000 0.224 35 G HA3 -0.217 3.744 3.960 0.002 0.000 0.224 35 G C 0.391 175.317 174.900 0.042 0.000 0.990 35 G CA 0.104 45.232 45.100 0.047 0.000 0.639 35 G HN 0.880 nan 8.290 nan 0.000 0.514 36 T N 0.951 115.535 114.554 0.049 0.000 2.887 36 T HA 0.686 5.037 4.350 0.002 0.000 0.288 36 T C -0.491 174.282 174.700 0.121 0.000 1.021 36 T CA -0.007 62.098 62.100 0.008 0.000 1.000 36 T CB 1.827 70.659 68.868 -0.060 0.000 1.034 36 T HN 0.927 nan 8.240 nan 0.000 0.467 37 F N -0.458 119.534 119.950 0.070 0.000 2.598 37 F HA 0.900 5.428 4.527 0.002 0.000 0.327 37 F C -0.342 175.553 175.800 0.159 0.000 1.057 37 F CA -1.110 56.992 58.000 0.169 0.000 0.957 37 F CB 1.192 40.274 39.000 0.137 0.000 1.278 37 F HN 0.354 nan 8.300 nan 0.000 0.484 38 S N 1.150 117.112 115.700 0.436 0.000 2.482 38 S HA 0.604 5.075 4.470 0.002 0.000 0.303 38 S C -0.992 173.822 174.600 0.357 0.000 1.091 38 S CA -0.856 57.498 58.200 0.258 0.000 1.057 38 S CB 1.466 64.891 63.200 0.373 0.000 1.031 38 S HN 0.809 nan 8.310 nan 0.000 0.485 39 R N 2.219 122.785 120.500 0.109 0.000 2.534 39 R HA 0.487 4.828 4.340 0.002 0.000 0.301 39 R C -1.933 174.185 176.300 -0.303 0.000 0.961 39 R CA -0.480 55.548 56.100 -0.120 0.000 0.871 39 R CB 0.782 30.983 30.300 -0.164 0.000 1.170 39 R HN 0.600 nan 8.270 nan 0.000 0.446 40 Y N 1.617 121.759 120.300 -0.263 0.000 2.341 40 Y HA 0.312 4.863 4.550 0.002 0.000 0.337 40 Y C -0.125 175.755 175.900 -0.033 0.000 1.014 40 Y CA -0.538 57.497 58.100 -0.109 0.000 1.111 40 Y CB 1.964 40.358 38.460 -0.111 0.000 1.194 40 Y HN 0.595 nan 8.280 nan 0.000 0.462 41 E N 1.870 122.157 120.200 0.145 0.000 2.224 41 E HA 0.619 4.970 4.350 0.002 0.000 0.265 41 E C -1.490 175.294 176.600 0.307 0.000 0.878 41 E CA -0.554 55.924 56.400 0.130 0.000 0.759 41 E CB 1.123 30.755 29.700 -0.114 0.000 1.164 41 E HN 0.609 nan 8.360 nan 0.000 0.414 42 S N 2.297 118.224 115.700 0.378 0.000 2.500 42 S HA 0.602 5.073 4.470 0.002 0.000 0.301 42 S C -0.707 174.091 174.600 0.330 0.000 1.092 42 S CA -0.788 57.638 58.200 0.377 0.000 1.030 42 S CB 1.760 65.270 63.200 0.517 0.000 1.031 42 S HN 0.648 nan 8.310 nan 0.000 0.483 43 T N -0.963 113.652 114.554 0.101 0.000 2.906 43 T HA 0.502 4.852 4.350 0.002 0.000 0.295 43 T C 0.806 174.953 174.700 -0.923 0.000 1.075 43 T CA -0.999 60.942 62.100 -0.265 0.000 1.005 43 T CB 1.722 70.511 68.868 -0.131 0.000 1.136 43 T HN 0.422 nan 8.240 nan 0.000 0.498 44 R N 0.763 120.374 120.500 -1.483 0.000 2.096 44 R HA -0.115 4.226 4.340 0.002 0.000 0.235 44 R C 2.282 178.269 176.300 -0.522 0.000 1.127 44 R CA 2.062 57.341 56.100 -1.368 0.000 0.968 44 R CB -0.778 28.721 30.300 -1.335 0.000 0.861 44 R HN 0.852 nan 8.270 nan 0.000 0.440 45 S N -1.616 113.881 115.700 -0.338 0.000 2.500 45 S HA -0.014 4.456 4.470 0.002 0.000 0.239 45 S C 1.357 175.882 174.600 -0.125 0.000 0.989 45 S CA 1.104 59.202 58.200 -0.170 0.000 0.951 45 S CB 0.276 63.413 63.200 -0.105 0.000 0.759 45 S HN 0.575 nan 8.310 nan 0.000 0.523 46 G N 0.512 109.229 108.800 -0.138 0.000 2.425 46 G HA2 -0.110 3.851 3.960 0.002 0.000 0.177 46 G HA3 -0.110 3.851 3.960 0.002 0.000 0.177 46 G C 0.007 174.880 174.900 -0.046 0.000 0.999 46 G CA -0.669 44.389 45.100 -0.070 0.000 0.723 46 G HN 0.454 nan 8.290 nan 0.000 0.491 47 R N 0.877 121.355 120.500 -0.036 0.000 2.570 47 R HA 0.436 4.777 4.340 0.002 0.000 0.277 47 R C -0.313 176.003 176.300 0.026 0.000 1.039 47 R CA 0.101 56.203 56.100 0.004 0.000 1.065 47 R CB 0.381 30.699 30.300 0.029 0.000 0.964 47 R HN 0.038 nan 8.270 nan 0.000 0.428 48 R N 4.072 124.572 120.500 0.000 0.000 2.412 48 R HA 0.192 4.533 4.340 0.002 0.000 0.304 48 R C 0.126 176.511 176.300 0.143 0.000 1.066 48 R CA -0.552 55.507 56.100 -0.069 0.000 0.923 48 R CB 1.170 31.216 30.300 -0.423 0.000 1.156 48 R HN 0.776 nan 8.270 nan 0.000 0.513 49 M N 0.750 120.547 119.600 0.328 0.000 2.206 49 M HA -0.254 4.227 4.480 0.002 0.000 0.197 49 M C -0.527 176.046 176.300 0.455 0.000 0.375 49 M CA 1.309 56.892 55.300 0.473 0.000 0.410 49 M CB -1.335 31.669 32.600 0.674 0.000 1.204 49 M HN 0.448 nan 8.290 nan 0.000 0.932 50 E N 0.833 121.179 120.200 0.243 0.000 2.331 50 E HA 0.489 4.840 4.350 0.002 0.000 0.272 50 E C -0.424 176.150 176.600 -0.044 0.000 1.036 50 E CA -0.675 55.787 56.400 0.104 0.000 0.864 50 E CB 1.381 31.108 29.700 0.045 0.000 1.035 50 E HN 0.306 nan 8.360 nan 0.000 0.408 51 L N 2.335 123.464 121.223 -0.158 0.000 2.307 51 L HA 0.412 4.753 4.340 0.002 0.000 0.284 51 L C -0.676 176.038 176.870 -0.261 0.000 1.023 51 L CA 0.005 54.590 54.840 -0.424 0.000 0.810 51 L CB 1.393 43.143 42.059 -0.515 0.000 1.231 51 L HN 0.570 nan 8.230 nan 0.000 0.423 52 S N 4.440 119.981 115.700 -0.265 0.000 2.627 52 S HA 0.831 5.302 4.470 0.002 0.000 0.283 52 S C -0.647 173.815 174.600 -0.230 0.000 1.127 52 S CA -1.023 57.064 58.200 -0.187 0.000 0.863 52 S CB 1.520 64.651 63.200 -0.115 0.000 1.121 52 S HN 0.648 nan 8.310 nan 0.000 0.479 53 M N 0.717 120.152 119.600 -0.275 0.000 2.664 53 M HA 0.790 5.271 4.480 0.002 0.000 0.314 53 M C 0.254 176.168 176.300 -0.643 0.000 1.200 53 M CA -0.513 54.509 55.300 -0.464 0.000 0.916 53 M CB 2.375 34.796 32.600 -0.298 0.000 1.717 53 M HN 1.097 nan 8.290 nan 0.000 0.470 54 G N 0.850 108.928 108.800 -1.203 0.000 2.619 54 G HA2 0.745 4.706 3.960 0.002 0.000 0.305 54 G HA3 0.745 4.706 3.960 0.002 0.000 0.305 54 G C -3.355 171.218 174.900 -0.545 0.000 1.330 54 G CA -0.762 43.872 45.100 -0.776 0.000 0.789 54 G HN 0.374 nan 8.290 nan 0.000 0.487 55 P HA 0.533 nan 4.420 nan 0.000 0.290 55 P C -0.696 176.744 177.300 0.233 0.000 1.275 55 P CA -0.496 62.652 63.100 0.080 0.000 0.841 55 P CB 1.991 33.726 31.700 0.059 0.000 1.042 56 I N 2.719 123.367 120.570 0.130 0.000 2.307 56 I HA 0.234 4.405 4.170 0.002 0.000 0.289 56 I C 0.587 176.725 176.117 0.036 0.000 1.021 56 I CA -0.381 60.936 61.300 0.028 0.000 1.224 56 I CB 0.647 38.573 38.000 -0.124 0.000 1.376 56 I HN 0.192 nan 8.210 nan 0.000 0.470 57 Q N 3.926 123.772 119.800 0.077 0.000 2.235 57 Q HA 0.513 4.854 4.340 0.002 0.000 0.256 57 Q C 0.851 176.953 176.000 0.170 0.000 0.951 57 Q CA -0.579 55.285 55.803 0.101 0.000 0.890 57 Q CB 2.137 30.931 28.738 0.093 0.000 1.279 57 Q HN 0.784 nan 8.270 nan 0.000 0.444 58 A N 2.654 125.553 122.820 0.133 0.000 2.014 58 A HA -0.065 4.256 4.320 0.002 0.000 0.218 58 A C 0.142 177.835 177.584 0.182 0.000 1.163 58 A CA 0.984 53.123 52.037 0.170 0.000 0.652 58 A CB -0.240 18.817 19.000 0.095 0.000 0.808 58 A HN 0.781 nan 8.150 nan 0.000 0.449 59 N N -1.283 117.460 118.700 0.070 0.000 2.472 59 N HA 0.414 5.155 4.740 0.002 0.000 0.289 59 N C -0.653 174.734 175.510 -0.205 0.000 1.156 59 N CA -0.446 52.563 53.050 -0.068 0.000 0.940 59 N CB 0.810 39.268 38.487 -0.048 0.000 1.200 59 N HN 0.403 nan 8.380 nan 0.000 0.511 60 H N 0.056 118.796 119.070 -0.549 0.000 2.673 60 H HA 0.144 4.701 4.556 0.002 0.000 0.293 60 H C 0.218 175.335 175.328 -0.351 0.000 1.065 60 H CA -0.363 55.243 56.048 -0.737 0.000 1.236 60 H CB 0.818 29.861 29.762 -1.198 0.000 1.389 60 H HN 0.758 nan 8.280 nan 0.000 0.481 61 T N 1.008 115.470 114.554 -0.154 0.000 3.044 61 T HA 0.171 4.522 4.350 0.002 0.000 0.250 61 T C 0.997 175.576 174.700 -0.202 0.000 1.081 61 T CA 0.126 62.128 62.100 -0.163 0.000 1.040 61 T CB 0.141 68.964 68.868 -0.075 0.000 0.962 61 T HN 0.522 nan 8.240 nan 0.000 0.506 62 G N 0.760 109.424 108.800 -0.227 0.000 2.395 62 G HA2 0.445 4.406 3.960 0.002 0.000 0.283 62 G HA3 0.445 4.406 3.960 0.002 0.000 0.283 62 G C 0.636 175.345 174.900 -0.319 0.000 1.178 62 G CA 0.023 45.019 45.100 -0.174 0.000 0.837 62 G HN 0.372 nan 8.290 nan 0.000 0.518 63 T N -0.704 113.748 114.554 -0.170 0.000 3.084 63 T HA 0.420 4.771 4.350 0.002 0.000 0.270 63 T C 1.083 175.740 174.700 -0.070 0.000 1.008 63 T CA 0.347 62.357 62.100 -0.150 0.000 0.900 63 T CB 0.671 69.467 68.868 -0.120 0.000 1.084 63 T HN 0.689 nan 8.240 nan 0.000 0.538 64 G N 1.552 110.330 108.800 -0.037 0.000 2.736 64 G HA2 0.588 4.549 3.960 0.002 0.000 0.229 64 G HA3 0.588 4.549 3.960 0.002 0.000 0.229 64 G C -0.534 174.378 174.900 0.020 0.000 1.380 64 G CA -1.127 43.968 45.100 -0.008 0.000 1.040 64 G HN 0.428 nan 8.290 nan 0.000 0.568 65 L N -0.167 121.067 121.223 0.019 0.000 2.578 65 L HA 0.350 4.691 4.340 0.002 0.000 0.279 65 L C -0.356 176.543 176.870 0.049 0.000 1.227 65 L CA -0.115 54.742 54.840 0.028 0.000 0.900 65 L CB 0.474 42.541 42.059 0.013 0.000 1.144 65 L HN 0.299 nan 8.230 nan 0.000 0.496 66 L N 6.497 127.758 121.223 0.063 0.000 2.322 66 L HA 0.552 4.893 4.340 0.002 0.000 0.281 66 L C -1.150 175.733 176.870 0.022 0.000 1.014 66 L CA -0.183 54.698 54.840 0.067 0.000 0.815 66 L CB 1.334 43.465 42.059 0.120 0.000 1.247 66 L HN 0.567 nan 8.230 nan 0.000 0.421 67 L N 4.914 126.129 121.223 -0.014 0.000 2.319 67 L HA 0.509 4.850 4.340 0.002 0.000 0.281 67 L C -0.381 176.467 176.870 -0.038 0.000 1.005 67 L CA -0.412 54.417 54.840 -0.018 0.000 0.828 67 L CB 1.730 43.773 42.059 -0.026 0.000 1.227 67 L HN 0.586 nan 8.230 nan 0.000 0.415 68 T N 4.159 118.701 114.554 -0.020 0.000 2.749 68 T HA 0.308 4.659 4.350 0.002 0.000 0.287 68 T C 0.096 174.797 174.700 0.003 0.000 0.970 68 T CA -0.461 61.617 62.100 -0.037 0.000 0.980 68 T CB 1.442 70.288 68.868 -0.037 0.000 0.924 68 T HN 0.329 nan 8.240 nan 0.000 0.456 69 L N 3.949 125.184 121.223 0.018 0.000 2.499 69 L HA 0.094 4.435 4.340 0.002 0.000 0.273 69 L C 0.050 176.937 176.870 0.028 0.000 1.195 69 L CA 0.481 55.356 54.840 0.058 0.000 0.882 69 L CB 0.432 42.566 42.059 0.124 0.000 1.133 69 L HN 0.636 nan 8.230 nan 0.000 0.483 70 Q N 6.681 126.501 119.800 0.034 0.000 2.907 70 Q HA 0.241 4.582 4.340 0.002 0.000 0.262 70 Q C -1.779 174.222 176.000 0.001 0.000 0.997 70 Q CA -1.556 54.257 55.803 0.017 0.000 0.797 70 Q CB 1.376 30.133 28.738 0.030 0.000 1.228 70 Q HN 0.510 nan 8.270 nan 0.000 0.466 71 P HA -0.151 nan 4.420 nan 0.000 0.222 71 P C 0.675 177.945 177.300 -0.050 0.000 1.147 71 P CA 1.108 64.192 63.100 -0.027 0.000 0.790 71 P CB 0.573 32.258 31.700 -0.023 0.000 0.780 72 E N -0.074 120.096 120.200 -0.050 0.000 2.347 72 E HA -0.054 4.297 4.350 0.002 0.000 0.196 72 E C 0.878 177.403 176.600 -0.125 0.000 1.008 72 E CA 0.496 56.853 56.400 -0.071 0.000 0.852 72 E CB -0.336 29.336 29.700 -0.047 0.000 0.783 72 E HN 0.524 nan 8.360 nan 0.000 0.505 73 Q N 1.598 121.310 119.800 -0.145 0.000 2.344 73 Q HA 0.158 4.499 4.340 0.002 0.000 0.253 73 Q C -0.348 175.325 176.000 -0.546 0.000 1.050 73 Q CA 0.300 55.915 55.803 -0.315 0.000 0.912 73 Q CB 0.614 29.250 28.738 -0.170 0.000 1.258 73 Q HN -0.063 nan 8.270 nan 0.000 0.443 74 K N 2.943 122.957 120.400 -0.642 0.000 2.221 74 K HA 0.458 4.779 4.320 0.002 0.000 0.258 74 K C -0.673 175.497 176.600 -0.717 0.000 0.944 74 K CA -0.260 55.729 56.287 -0.497 0.000 0.823 74 K CB 1.297 33.670 32.500 -0.212 0.000 1.113 74 K HN 0.325 nan 8.250 nan 0.000 0.431 75 F N 0.307 120.282 119.950 0.042 0.000 3.188 75 F HA 0.147 4.675 4.527 0.002 0.000 0.198 75 F C 0.862 176.702 175.800 0.067 0.000 1.589 75 F CA -0.790 57.243 58.000 0.055 0.000 0.914 75 F CB 0.003 39.019 39.000 0.027 0.000 1.928 75 F HN 0.378 nan 8.300 nan 0.000 0.334 76 Q N 2.161 122.148 119.800 0.311 0.000 2.312 76 Q HA 0.314 4.655 4.340 0.002 0.000 0.236 76 Q C -1.460 174.636 176.000 0.160 0.000 0.965 76 Q CA -0.306 55.614 55.803 0.195 0.000 0.894 76 Q CB 1.330 30.163 28.738 0.158 0.000 1.225 76 Q HN 0.478 nan 8.270 nan 0.000 0.478 77 K N 0.830 121.306 120.400 0.127 0.000 2.156 77 K HA 0.421 4.742 4.320 0.002 0.000 0.271 77 K C -0.837 175.825 176.600 0.103 0.000 0.995 77 K CA -0.725 55.628 56.287 0.109 0.000 0.890 77 K CB 1.916 34.468 32.500 0.087 0.000 1.073 77 K HN 0.402 nan 8.250 nan 0.000 0.454 78 V N 4.078 124.057 119.914 0.109 0.000 2.461 78 V HA 0.020 4.141 4.120 0.002 0.000 0.275 78 V C 1.161 177.281 176.094 0.042 0.000 1.047 78 V CA -0.114 62.247 62.300 0.101 0.000 0.955 78 V CB 1.172 33.107 31.823 0.186 0.000 0.988 78 V HN 0.722 nan 8.190 nan 0.000 0.471 79 K N 3.817 124.215 120.400 -0.003 0.000 2.021 79 K HA 0.287 4.608 4.320 0.002 0.000 0.205 79 K C 0.805 177.344 176.600 -0.101 0.000 1.047 79 K CA 1.592 57.827 56.287 -0.087 0.000 0.943 79 K CB -0.273 32.184 32.500 -0.071 0.000 0.725 79 K HN 1.017 nan 8.250 nan 0.000 0.439 80 G N -2.309 106.426 108.800 -0.109 0.000 2.332 80 G HA2 0.209 4.170 3.960 0.002 0.000 0.265 80 G HA3 0.209 4.170 3.960 0.002 0.000 0.265 80 G C -1.483 173.254 174.900 -0.273 0.000 1.329 80 G CA -0.710 44.353 45.100 -0.061 0.000 0.949 80 G HN 0.026 nan 8.290 nan 0.000 0.476 81 F N 0.119 120.087 119.950 0.031 0.000 2.591 81 F HA 0.804 5.332 4.527 0.002 0.000 0.309 81 F C 0.728 176.272 175.800 -0.427 0.000 1.098 81 F CA 0.433 58.380 58.000 -0.087 0.000 0.937 81 F CB 2.382 41.352 39.000 -0.050 0.000 1.250 81 F HN 1.232 nan 8.300 nan 0.000 0.447 82 G N 0.077 108.566 108.800 -0.520 0.000 2.494 82 G HA2 0.653 4.614 3.960 0.002 0.000 0.308 82 G HA3 0.653 4.614 3.960 0.002 0.000 0.308 82 G C -1.321 173.175 174.900 -0.674 0.000 1.263 82 G CA -0.113 44.406 45.100 -0.969 0.000 0.840 82 G HN 1.046 nan 8.290 nan 0.000 0.479 83 G N -1.769 106.843 108.800 -0.314 0.000 2.682 83 G HA2 0.769 4.730 3.960 0.002 0.000 0.303 83 G HA3 0.769 4.730 3.960 0.002 0.000 0.303 83 G C -1.136 173.812 174.900 0.080 0.000 1.341 83 G CA 0.420 45.489 45.100 -0.052 0.000 0.784 83 G HN 1.705 nan 8.290 nan 0.000 0.497 84 A N -0.261 122.643 122.820 0.139 0.000 2.276 84 A HA 0.633 4.954 4.320 0.002 0.000 0.316 84 A C -0.166 177.462 177.584 0.073 0.000 1.229 84 A CA -0.538 51.611 52.037 0.186 0.000 0.851 84 A CB 1.150 20.384 19.000 0.390 0.000 1.165 84 A HN 0.658 nan 8.150 nan 0.000 0.513 85 M N 4.058 123.727 119.600 0.116 0.000 2.923 85 M HA 0.213 4.694 4.480 0.002 0.000 0.311 85 M C 0.631 176.960 176.300 0.050 0.000 1.376 85 M CA -0.209 55.138 55.300 0.079 0.000 1.468 85 M CB -0.769 31.900 32.600 0.115 0.000 1.151 85 M HN 0.760 nan 8.290 nan 0.000 0.517 86 T N -0.914 113.601 114.554 -0.064 0.000 2.816 86 T HA 0.291 4.642 4.350 0.002 0.000 0.282 86 T C 0.786 175.457 174.700 -0.049 0.000 0.993 86 T CA -0.737 61.290 62.100 -0.121 0.000 0.994 86 T CB 0.717 69.359 68.868 -0.377 0.000 1.025 86 T HN 0.494 nan 8.240 nan 0.000 0.529 87 D N 0.897 121.286 120.400 -0.017 0.000 2.097 87 D HA -0.072 4.569 4.640 0.002 0.000 0.195 87 D C 2.412 178.717 176.300 0.007 0.000 0.989 87 D CA 1.699 55.715 54.000 0.027 0.000 0.827 87 D CB -0.991 39.851 40.800 0.071 0.000 0.966 87 D HN 0.720 nan 8.370 nan 0.000 0.456 88 A N 1.312 124.131 122.820 -0.000 0.000 1.892 88 A HA -0.153 4.168 4.320 0.002 0.000 0.218 88 A C 2.361 179.924 177.584 -0.036 0.000 1.188 88 A CA 2.785 54.830 52.037 0.013 0.000 0.631 88 A CB -0.931 18.124 19.000 0.092 0.000 0.822 88 A HN 0.264 nan 8.150 nan 0.000 0.447 89 A N -0.392 122.370 122.820 -0.097 0.000 1.902 89 A HA 0.155 4.476 4.320 0.002 0.000 0.217 89 A C 2.531 180.102 177.584 -0.021 0.000 1.181 89 A CA 2.244 54.238 52.037 -0.072 0.000 0.623 89 A CB -1.059 17.886 19.000 -0.091 0.000 0.818 89 A HN 1.118 nan 8.150 nan 0.000 0.443 90 A N -0.094 122.722 122.820 -0.008 0.000 1.877 90 A HA -0.055 4.266 4.320 0.002 0.000 0.216 90 A C 2.148 179.733 177.584 0.003 0.000 1.186 90 A CA 1.473 53.514 52.037 0.007 0.000 0.620 90 A CB -0.741 18.270 19.000 0.019 0.000 0.822 90 A HN 0.479 nan 8.150 nan 0.000 0.443 91 L N -0.310 120.916 121.223 0.005 0.000 2.010 91 L HA -0.310 4.031 4.340 0.002 0.000 0.219 91 L C 2.420 179.291 176.870 0.002 0.000 1.077 91 L CA 1.897 56.741 54.840 0.007 0.000 0.773 91 L CB -0.616 41.451 42.059 0.015 0.000 0.892 91 L HN 0.453 nan 8.230 nan 0.000 0.436 92 N N -0.559 118.140 118.700 -0.002 0.000 2.336 92 N HA 0.048 4.789 4.740 0.002 0.000 0.177 92 N C 1.930 177.429 175.510 -0.017 0.000 1.018 92 N CA 0.796 53.845 53.050 -0.001 0.000 0.878 92 N CB 0.178 38.665 38.487 -0.001 0.000 0.997 92 N HN 0.293 nan 8.380 nan 0.000 0.433 93 I N 1.120 121.674 120.570 -0.028 0.000 2.226 93 I HA -0.210 3.961 4.170 0.002 0.000 0.245 93 I C 1.651 177.748 176.117 -0.034 0.000 1.100 93 I CA 1.001 62.270 61.300 -0.051 0.000 1.374 93 I CB -0.118 37.862 38.000 -0.034 0.000 1.057 93 I HN 0.014 nan 8.210 nan 0.000 0.413 94 L N 0.457 121.671 121.223 -0.014 0.000 2.610 94 L HA 0.038 4.379 4.340 0.002 0.000 0.232 94 L C 2.167 179.036 176.870 -0.002 0.000 1.149 94 L CA 0.115 54.951 54.840 -0.007 0.000 0.872 94 L CB -0.329 41.728 42.059 -0.003 0.000 0.992 94 L HN 0.180 nan 8.230 nan 0.000 0.447 95 A N -0.503 122.316 122.820 -0.001 0.000 2.275 95 A HA 0.272 4.593 4.320 0.002 0.000 0.212 95 A C 0.845 178.436 177.584 0.011 0.000 1.201 95 A CA -0.079 51.962 52.037 0.007 0.000 0.843 95 A CB -0.059 18.948 19.000 0.011 0.000 0.873 95 A HN 0.233 nan 8.150 nan 0.000 0.492 96 L N 0.893 122.120 121.223 0.007 0.000 2.399 96 L HA 0.296 4.637 4.340 0.002 0.000 0.265 96 L C 0.988 177.870 176.870 0.021 0.000 1.089 96 L CA -0.612 54.241 54.840 0.021 0.000 0.802 96 L CB 1.505 43.573 42.059 0.015 0.000 1.180 96 L HN 0.360 nan 8.230 nan 0.000 0.454 97 S N 0.944 116.663 115.700 0.031 0.000 2.579 97 S HA 0.158 4.629 4.470 0.002 0.000 0.275 97 S C -1.950 172.666 174.600 0.027 0.000 1.345 97 S CA -1.004 57.212 58.200 0.027 0.000 1.031 97 S CB 0.943 64.161 63.200 0.030 0.000 0.892 97 S HN 0.405 nan 8.310 nan 0.000 0.529 98 P HA -0.057 nan 4.420 nan 0.000 0.216 98 P C -1.531 175.785 177.300 0.027 0.000 1.153 98 P CA 1.379 64.490 63.100 0.019 0.000 0.858 98 P CB -1.106 30.603 31.700 0.015 0.000 0.789 99 P HA -0.113 nan 4.420 nan 0.000 0.218 99 P C 1.340 178.681 177.300 0.069 0.000 1.149 99 P CA 1.718 64.843 63.100 0.042 0.000 0.817 99 P CB -0.594 31.129 31.700 0.039 0.000 0.785 100 A N -0.031 122.841 122.820 0.088 0.000 1.898 100 A HA -0.229 4.092 4.320 0.002 0.000 0.216 100 A C 2.213 179.849 177.584 0.086 0.000 1.181 100 A CA 1.395 53.536 52.037 0.173 0.000 0.620 100 A CB -1.261 17.858 19.000 0.199 0.000 0.819 100 A HN 0.191 nan 8.150 nan 0.000 0.442 101 Q N 0.006 119.808 119.800 0.003 0.000 2.135 101 Q HA -0.184 4.157 4.340 0.002 0.000 0.204 101 Q C 1.694 177.666 176.000 -0.046 0.000 0.981 101 Q CA 1.477 57.242 55.803 -0.064 0.000 0.856 101 Q CB -0.301 28.420 28.738 -0.029 0.000 0.902 101 Q HN 0.602 nan 8.270 nan 0.000 0.425 102 N N 0.639 119.344 118.700 0.008 0.000 2.188 102 N HA -0.070 4.671 4.740 0.002 0.000 0.184 102 N C 1.831 177.366 175.510 0.041 0.000 1.018 102 N CA 0.891 53.957 53.050 0.028 0.000 0.858 102 N CB -0.127 38.380 38.487 0.034 0.000 0.989 102 N HN 0.238 nan 8.380 nan 0.000 0.426 103 L N 0.631 121.899 121.223 0.074 0.000 2.083 103 L HA -0.101 4.240 4.340 0.002 0.000 0.209 103 L C 2.380 179.312 176.870 0.102 0.000 1.083 103 L CA 0.694 55.615 54.840 0.135 0.000 0.752 103 L CB -0.384 41.821 42.059 0.243 0.000 0.899 103 L HN 0.146 nan 8.230 nan 0.000 0.433 104 L N -0.287 120.840 121.223 -0.159 0.000 2.027 104 L HA -0.210 4.131 4.340 0.002 0.000 0.206 104 L C 2.504 179.280 176.870 -0.156 0.000 1.074 104 L CA 1.293 55.807 54.840 -0.542 0.000 0.745 104 L CB -0.065 41.374 42.059 -1.033 0.000 0.898 104 L HN 0.170 nan 8.230 nan 0.000 0.433 105 L N -0.364 120.860 121.223 0.002 0.000 2.083 105 L HA -0.249 4.092 4.340 0.002 0.000 0.209 105 L C 2.583 179.608 176.870 0.257 0.000 1.083 105 L CA 1.399 56.373 54.840 0.224 0.000 0.752 105 L CB -0.503 41.667 42.059 0.184 0.000 0.899 105 L HN 0.230 nan 8.230 nan 0.000 0.433 106 K N -0.506 119.976 120.400 0.136 0.000 2.097 106 K HA -0.108 4.213 4.320 0.002 0.000 0.205 106 K C 2.345 179.006 176.600 0.101 0.000 1.050 106 K CA 1.294 57.658 56.287 0.128 0.000 0.938 106 K CB -0.119 32.432 32.500 0.084 0.000 0.718 106 K HN 0.099 nan 8.250 nan 0.000 0.442 107 S N 0.123 115.848 115.700 0.041 0.000 2.374 107 S HA -0.167 4.304 4.470 0.002 0.000 0.227 107 S C 1.732 176.338 174.600 0.011 0.000 1.037 107 S CA 1.363 59.567 58.200 0.007 0.000 1.024 107 S CB -0.237 62.845 63.200 -0.195 0.000 0.861 107 S HN 0.339 nan 8.310 nan 0.000 0.456 108 Y N -1.351 118.854 120.300 -0.159 0.000 2.301 108 Y HA 0.114 4.665 4.550 0.002 0.000 0.295 108 Y C 1.604 177.087 175.900 -0.695 0.000 1.119 108 Y CA 0.673 58.367 58.100 -0.678 0.000 1.162 108 Y CB 0.097 37.965 38.460 -0.988 0.000 1.046 108 Y HN 0.217 nan 8.280 nan 0.000 0.538 109 F N -1.625 118.398 119.950 0.123 0.000 2.717 109 F HA 0.126 4.654 4.527 0.002 0.000 0.297 109 F C 1.205 177.050 175.800 0.074 0.000 1.113 109 F CA -0.285 57.785 58.000 0.117 0.000 1.319 109 F CB 0.418 39.491 39.000 0.121 0.000 1.097 109 F HN -0.227 nan 8.300 nan 0.000 0.595 110 S N 0.447 116.270 115.700 0.204 0.000 2.687 110 S HA 0.138 4.609 4.470 0.002 0.000 0.283 110 S C 1.121 175.765 174.600 0.073 0.000 1.170 110 S CA -0.387 57.894 58.200 0.135 0.000 1.008 110 S CB 1.301 64.576 63.200 0.124 0.000 1.026 110 S HN 0.433 nan 8.310 nan 0.000 0.541 111 E N 0.469 120.701 120.200 0.053 0.000 2.274 111 E HA -0.133 4.218 4.350 0.002 0.000 0.194 111 E C 1.286 177.913 176.600 0.044 0.000 0.996 111 E CA 1.204 57.609 56.400 0.010 0.000 0.840 111 E CB -0.413 29.296 29.700 0.015 0.000 0.772 111 E HN 0.908 nan 8.360 nan 0.000 0.491 112 E N 1.008 121.271 120.200 0.105 0.000 2.502 112 E HA 0.104 4.455 4.350 0.002 0.000 0.194 112 E C 1.049 177.829 176.600 0.301 0.000 1.062 112 E CA 0.493 57.004 56.400 0.185 0.000 0.867 112 E CB 0.453 30.218 29.700 0.109 0.000 0.888 112 E HN 0.268 nan 8.360 nan 0.000 0.510 113 G N 1.771 110.705 108.800 0.223 0.000 3.341 113 G HA2 0.338 4.299 3.960 0.002 0.000 0.177 113 G HA3 0.338 4.299 3.960 0.002 0.000 0.177 113 G C 0.616 175.546 174.900 0.051 0.000 1.236 113 G CA -0.280 44.981 45.100 0.268 0.000 0.888 113 G HN 0.303 nan 8.290 nan 0.000 0.644 114 I N -2.047 118.457 120.570 -0.109 0.000 3.941 114 I HA 0.499 4.670 4.170 0.002 0.000 0.335 114 I C 1.165 177.121 176.117 -0.268 0.000 1.402 114 I CA 0.374 61.473 61.300 -0.336 0.000 1.112 114 I CB 0.395 38.067 38.000 -0.547 0.000 1.043 114 I HN 0.800 nan 8.210 nan 0.000 0.395 115 G N 1.312 110.029 108.800 -0.138 0.000 2.273 115 G HA2 -0.324 3.637 3.960 0.002 0.000 0.280 115 G HA3 -0.324 3.637 3.960 0.002 0.000 0.280 115 G C 0.045 175.018 174.900 0.121 0.000 1.047 115 G CA -0.054 45.029 45.100 -0.027 0.000 0.869 115 G HN 0.658 nan 8.290 nan 0.000 0.502 116 Y N 0.323 120.569 120.300 -0.091 0.000 2.805 116 Y HA 0.021 4.572 4.550 0.002 0.000 0.337 116 Y C 1.684 177.678 175.900 0.158 0.000 1.252 116 Y CA 0.565 58.631 58.100 -0.057 0.000 1.515 116 Y CB 0.524 38.712 38.460 -0.454 0.000 1.305 116 Y HN 0.482 nan 8.280 nan 0.000 0.600 117 N N 2.823 121.676 118.700 0.256 0.000 2.143 117 N HA 0.160 4.901 4.740 0.002 0.000 0.229 117 N C -0.914 174.660 175.510 0.107 0.000 1.294 117 N CA 0.127 53.291 53.050 0.191 0.000 0.883 117 N CB 0.293 38.847 38.487 0.113 0.000 1.148 117 N HN 0.462 nan 8.380 nan 0.000 0.511 118 I N 1.104 121.735 120.570 0.102 0.000 2.608 118 I HA 0.494 4.665 4.170 0.002 0.000 0.295 118 I C -0.715 175.491 176.117 0.150 0.000 1.049 118 I CA -0.954 60.399 61.300 0.088 0.000 1.063 118 I CB 2.424 40.477 38.000 0.088 0.000 1.248 118 I HN -0.181 nan 8.210 nan 0.000 0.424 119 I N 4.842 125.515 120.570 0.172 0.000 2.447 119 I HA 0.419 4.590 4.170 0.002 0.000 0.287 119 I C -0.184 176.059 176.117 0.211 0.000 1.023 119 I CA -0.576 60.838 61.300 0.191 0.000 1.083 119 I CB 1.888 39.985 38.000 0.162 0.000 1.245 119 I HN 0.535 nan 8.210 nan 0.000 0.434 120 R N 5.247 125.887 120.500 0.233 0.000 2.357 120 R HA 0.660 5.001 4.340 0.002 0.000 0.296 120 R C -1.365 175.115 176.300 0.300 0.000 1.052 120 R CA -0.337 55.933 56.100 0.283 0.000 0.988 120 R CB 1.241 31.717 30.300 0.293 0.000 1.025 120 R HN 0.464 nan 8.270 nan 0.000 0.469 121 V N 6.821 126.937 119.914 0.337 0.000 2.447 121 V HA 0.321 4.442 4.120 0.002 0.000 0.292 121 V C -2.290 173.966 176.094 0.270 0.000 1.021 121 V CA -2.118 60.379 62.300 0.329 0.000 0.850 121 V CB 1.608 33.706 31.823 0.458 0.000 1.005 121 V HN 0.837 nan 8.190 nan 0.000 0.426 122 P HA 0.256 nan 4.420 nan 0.000 0.268 122 P C -0.351 177.004 177.300 0.093 0.000 1.205 122 P CA -0.061 63.169 63.100 0.216 0.000 0.771 122 P CB 0.453 32.118 31.700 -0.058 0.000 0.858 123 M N 3.048 122.628 119.600 -0.032 0.000 2.435 123 M HA 0.441 4.922 4.480 0.002 0.000 0.344 123 M C 0.532 176.734 176.300 -0.162 0.000 1.329 123 M CA 0.306 55.515 55.300 -0.153 0.000 1.320 123 M CB -0.638 31.677 32.600 -0.475 0.000 1.309 123 M HN 0.627 nan 8.290 nan 0.000 0.451 124 A N 1.228 123.890 122.820 -0.262 0.000 6.058 124 A HA -0.144 4.177 4.320 0.002 0.000 0.237 124 A C 0.213 177.504 177.584 -0.489 0.000 2.308 124 A CA 0.113 51.816 52.037 -0.558 0.000 0.701 124 A CB -1.641 16.791 19.000 -0.946 0.000 0.931 124 A HN 0.852 nan 8.150 nan 0.000 0.347 125 S N -0.206 114.939 115.700 -0.924 0.000 2.580 125 S HA 0.601 5.072 4.470 0.002 0.000 0.274 125 S C 0.549 174.869 174.600 -0.467 0.000 1.329 125 S CA 0.314 58.032 58.200 -0.804 0.000 1.036 125 S CB 0.482 63.026 63.200 -1.093 0.000 0.919 125 S HN 2.546 nan 8.310 nan 0.000 0.515 126 C N 1.047 120.081 119.300 -0.444 0.000 3.301 126 C HA 0.655 5.116 4.460 0.002 0.000 0.367 126 C C 1.378 176.300 174.990 -0.113 0.000 1.980 126 C CA -0.005 58.690 59.018 -0.538 0.000 1.349 126 C CB 0.647 27.501 27.740 -1.477 0.000 2.412 126 C HN 0.885 nan 8.230 nan 0.000 0.451 127 D N 0.752 121.069 120.400 -0.139 0.000 2.144 127 D HA -0.127 4.514 4.640 0.002 0.000 0.200 127 D C 0.831 176.928 176.300 -0.339 0.000 0.978 127 D CA 1.226 55.061 54.000 -0.274 0.000 0.833 127 D CB -0.563 39.646 40.800 -0.986 0.000 0.961 127 D HN 0.610 nan 8.370 nan 0.000 0.470 128 F N 1.552 121.385 119.950 -0.194 0.000 2.798 128 F HA 0.197 4.725 4.527 0.002 0.000 0.324 128 F C 0.587 176.306 175.800 -0.135 0.000 1.210 128 F CA 0.009 57.884 58.000 -0.207 0.000 1.379 128 F CB -0.260 38.499 39.000 -0.402 0.000 1.368 128 F HN -0.250 nan 8.300 nan 0.000 0.565 129 S N 0.380 116.112 115.700 0.054 0.000 2.638 129 S HA 0.450 4.921 4.470 0.002 0.000 0.302 129 S C 1.083 175.746 174.600 0.105 0.000 1.096 129 S CA -0.779 57.459 58.200 0.063 0.000 0.953 129 S CB 1.826 65.020 63.200 -0.011 0.000 1.107 129 S HN 0.399 nan 8.310 nan 0.000 0.503 130 I N -0.755 119.858 120.570 0.073 0.000 3.793 130 I HA 0.342 4.513 4.170 0.002 0.000 0.315 130 I C 0.450 176.568 176.117 0.002 0.000 1.275 130 I CA 0.075 61.414 61.300 0.065 0.000 1.214 130 I CB -0.186 37.841 38.000 0.045 0.000 1.018 130 I HN 0.552 nan 8.210 nan 0.000 0.439 131 R N 0.888 121.335 120.500 -0.088 0.000 2.728 131 R HA 0.416 4.757 4.340 0.002 0.000 0.274 131 R C -1.077 174.999 176.300 -0.374 0.000 1.030 131 R CA -0.356 55.612 56.100 -0.220 0.000 0.876 131 R CB 0.671 30.938 30.300 -0.056 0.000 1.259 131 R HN 0.091 nan 8.270 nan 0.000 0.468 132 T N -0.694 113.572 114.554 -0.480 0.000 2.907 132 T HA 0.686 5.037 4.350 0.002 0.000 0.284 132 T C -0.587 174.002 174.700 -0.184 0.000 1.004 132 T CA -0.484 61.312 62.100 -0.507 0.000 1.063 132 T CB 0.733 69.248 68.868 -0.588 0.000 0.992 132 T HN 0.719 nan 8.240 nan 0.000 0.483 133 Y N -1.557 118.614 120.300 -0.215 0.000 2.554 133 Y HA 0.548 5.099 4.550 0.001 0.000 0.338 133 Y C -0.638 175.163 175.900 -0.165 0.000 1.247 133 Y CA -1.022 56.988 58.100 -0.150 0.000 1.255 133 Y CB 0.238 38.626 38.460 -0.121 0.000 1.346 133 Y HN 1.035 nan 8.280 nan 0.000 0.481 134 T N -1.662 112.881 114.554 -0.018 0.000 2.841 134 T HA 0.460 4.811 4.350 0.002 0.000 0.276 134 T C -0.242 174.505 174.700 0.079 0.000 1.003 134 T CA -0.591 61.466 62.100 -0.073 0.000 0.995 134 T CB 1.173 70.028 68.868 -0.021 0.000 1.260 134 T HN 0.774 nan 8.240 nan 0.000 0.581 135 Y N -0.247 120.134 120.300 0.135 0.000 2.511 135 Y HA 0.495 5.046 4.550 0.002 0.000 0.279 135 Y C 1.536 177.268 175.900 -0.279 0.000 1.157 135 Y CA -0.332 57.577 58.100 -0.319 0.000 1.300 135 Y CB 0.448 38.203 38.460 -1.175 0.000 1.052 135 Y HN 0.770 nan 8.280 nan 0.000 0.529 136 A N -0.256 122.721 122.820 0.262 0.000 3.370 136 A HA 0.260 4.581 4.320 0.002 0.000 0.295 136 A C -0.227 177.621 177.584 0.440 0.000 1.030 136 A CA -0.462 51.795 52.037 0.366 0.000 0.883 136 A CB -0.141 19.212 19.000 0.588 0.000 1.191 136 A HN 0.118 nan 8.150 nan 0.000 0.507 137 D N 0.396 120.974 120.400 0.297 0.000 2.289 137 D HA -0.010 4.631 4.640 0.002 0.000 0.207 137 D C 0.460 176.911 176.300 0.252 0.000 0.966 137 D CA 1.104 55.277 54.000 0.288 0.000 0.868 137 D CB 0.211 41.106 40.800 0.158 0.000 0.943 137 D HN 0.424 nan 8.370 nan 0.000 0.514 138 T N 4.612 119.245 114.554 0.133 0.000 2.765 138 T HA 0.091 4.442 4.350 0.002 0.000 0.284 138 T C -2.225 172.242 174.700 -0.388 0.000 0.946 138 T CA -0.974 61.092 62.100 -0.056 0.000 1.185 138 T CB 1.013 69.865 68.868 -0.027 0.000 0.887 138 T HN 0.078 nan 8.240 nan 0.000 0.532 139 P HA 0.128 nan 4.420 nan 0.000 0.271 139 P C -0.065 176.423 177.300 -1.354 0.000 1.233 139 P CA -0.157 62.092 63.100 -1.418 0.000 0.789 139 P CB 0.295 31.615 31.700 -0.634 0.000 0.951 140 D N -1.192 118.118 120.400 -1.816 0.000 2.689 140 D HA -0.190 4.451 4.640 0.002 0.000 0.237 140 D C -0.308 175.525 176.300 -0.779 0.000 1.148 140 D CA 1.277 54.627 54.000 -1.083 0.000 0.656 140 D CB -1.805 38.787 40.800 -0.347 0.000 1.050 140 D HN 0.427 nan 8.370 nan 0.000 0.426 141 D N -0.864 118.934 120.400 -1.004 0.000 2.795 141 D HA 0.190 4.831 4.640 0.002 0.000 0.335 141 D C 0.716 177.007 176.300 -0.015 0.000 1.262 141 D CA -0.605 53.212 54.000 -0.305 0.000 0.885 141 D CB -0.514 40.204 40.800 -0.136 0.000 1.047 141 D HN 0.137 nan 8.370 nan 0.000 0.500 142 F N 0.194 120.238 119.950 0.158 0.000 2.373 142 F HA -0.108 4.420 4.527 0.001 0.000 0.300 142 F C 2.274 178.145 175.800 0.117 0.000 1.080 142 F CA 0.859 58.995 58.000 0.226 0.000 1.417 142 F CB 0.265 39.340 39.000 0.125 0.000 1.070 142 F HN 0.256 nan 8.300 nan 0.000 0.546 143 Q N -0.548 119.298 119.800 0.075 0.000 2.352 143 Q HA 0.218 4.559 4.340 0.002 0.000 0.212 143 Q C 0.880 176.774 176.000 -0.178 0.000 0.888 143 Q CA 0.164 55.889 55.803 -0.130 0.000 0.934 143 Q CB 0.641 29.162 28.738 -0.362 0.000 1.093 143 Q HN 0.452 nan 8.270 nan 0.000 0.523 144 L N 0.860 122.054 121.223 -0.049 0.000 3.512 144 L HA -0.272 4.069 4.340 0.002 0.000 0.446 144 L C 0.585 177.553 176.870 0.164 0.000 1.290 144 L CA 0.053 54.999 54.840 0.177 0.000 0.871 144 L CB -2.113 40.129 42.059 0.306 0.000 1.767 144 L HN 0.402 nan 8.230 nan 0.000 0.855 145 H N -0.690 118.490 119.070 0.183 0.000 2.457 145 H HA -0.010 4.547 4.556 0.002 0.000 0.294 145 H C 1.507 176.927 175.328 0.153 0.000 1.064 145 H CA 1.304 57.435 56.048 0.138 0.000 1.330 145 H CB 0.176 29.996 29.762 0.097 0.000 1.395 145 H HN 0.520 nan 8.280 nan 0.000 0.541 146 N N 0.466 119.326 118.700 0.266 0.000 2.251 146 N HA -0.014 4.727 4.740 0.002 0.000 0.217 146 N C -0.429 175.233 175.510 0.254 0.000 1.124 146 N CA -0.130 53.049 53.050 0.216 0.000 0.843 146 N CB 0.025 38.601 38.487 0.148 0.000 1.024 146 N HN 0.202 nan 8.380 nan 0.000 0.501 147 F N 3.026 123.068 119.950 0.154 0.000 2.578 147 F HA 0.079 4.607 4.527 0.002 0.000 0.381 147 F C 0.632 176.482 175.800 0.083 0.000 1.069 147 F CA -0.042 58.039 58.000 0.136 0.000 1.231 147 F CB 0.407 39.452 39.000 0.076 0.000 1.086 147 F HN -0.016 nan 8.300 nan 0.000 0.564 148 S N 5.917 121.549 115.700 -0.113 0.000 2.588 148 S HA 0.545 5.016 4.470 0.002 0.000 0.269 148 S C -1.288 173.227 174.600 -0.142 0.000 1.157 148 S CA -1.286 56.905 58.200 -0.015 0.000 0.824 148 S CB 1.142 64.383 63.200 0.068 0.000 1.126 148 S HN 0.666 nan 8.310 nan 0.000 0.464 149 L N 2.528 123.711 121.223 -0.065 0.000 2.319 149 L HA 0.450 4.791 4.340 0.002 0.000 0.280 149 L C -1.671 175.207 176.870 0.014 0.000 1.099 149 L CA -1.520 53.302 54.840 -0.030 0.000 0.828 149 L CB 0.277 42.292 42.059 -0.073 0.000 1.150 149 L HN 0.608 nan 8.230 nan 0.000 0.442 150 P HA 0.091 nan 4.420 nan 0.000 0.289 150 P C 0.419 177.666 177.300 -0.089 0.000 1.299 150 P CA -0.517 62.530 63.100 -0.088 0.000 0.766 150 P CB 0.973 32.506 31.700 -0.278 0.000 1.226 151 E N -0.364 119.768 120.200 -0.114 0.000 2.171 151 E HA -0.250 4.101 4.350 0.002 0.000 0.197 151 E C 1.582 178.138 176.600 -0.073 0.000 0.997 151 E CA 1.437 57.787 56.400 -0.084 0.000 0.810 151 E CB -0.016 29.633 29.700 -0.086 0.000 0.738 151 E HN 0.403 nan 8.360 nan 0.000 0.467 152 E N 0.670 120.810 120.200 -0.100 0.000 2.085 152 E HA -0.199 4.152 4.350 0.002 0.000 0.194 152 E C 1.697 178.318 176.600 0.035 0.000 0.994 152 E CA 1.623 58.008 56.400 -0.025 0.000 0.801 152 E CB -0.006 29.693 29.700 -0.001 0.000 0.743 152 E HN 0.349 nan 8.360 nan 0.000 0.453 153 D N -0.533 119.899 120.400 0.054 0.000 2.107 153 D HA -0.092 4.548 4.640 0.002 0.000 0.204 153 D C 2.123 178.341 176.300 -0.137 0.000 0.978 153 D CA 2.044 56.059 54.000 0.026 0.000 0.852 153 D CB -0.423 40.411 40.800 0.057 0.000 1.008 153 D HN 0.313 nan 8.370 nan 0.000 0.458 154 T N -0.802 113.655 114.554 -0.162 0.000 2.929 154 T HA -0.106 4.245 4.350 0.002 0.000 0.271 154 T C 1.694 176.333 174.700 -0.102 0.000 1.085 154 T CA 0.998 62.977 62.100 -0.201 0.000 1.125 154 T CB 0.229 69.041 68.868 -0.094 0.000 0.874 154 T HN -0.008 nan 8.240 nan 0.000 0.494 155 K N -0.045 120.317 120.400 -0.064 0.000 2.367 155 K HA 0.301 4.622 4.320 0.002 0.000 0.198 155 K C 1.921 178.505 176.600 -0.025 0.000 1.132 155 K CA 0.138 56.405 56.287 -0.034 0.000 0.941 155 K CB 0.268 32.752 32.500 -0.027 0.000 1.052 155 K HN 0.364 nan 8.250 nan 0.000 0.507 156 L N 0.117 121.326 121.223 -0.023 0.000 2.296 156 L HA 0.116 4.457 4.340 0.002 0.000 0.193 156 L C 2.246 179.114 176.870 -0.004 0.000 1.123 156 L CA 0.331 55.167 54.840 -0.006 0.000 0.805 156 L CB -0.750 41.312 42.059 0.006 0.000 1.004 156 L HN -0.103 nan 8.230 nan 0.000 0.478 157 K N 1.028 121.438 120.400 0.016 0.000 1.978 157 K HA -0.127 4.194 4.320 0.002 0.000 0.214 157 K C 2.062 178.643 176.600 -0.032 0.000 1.049 157 K CA 1.691 58.002 56.287 0.040 0.000 0.939 157 K CB -0.344 32.242 32.500 0.144 0.000 0.721 157 K HN 0.149 nan 8.250 nan 0.000 0.441 158 I N 0.884 121.376 120.570 -0.130 0.000 2.163 158 I HA -0.226 3.945 4.170 0.002 0.000 0.243 158 I C -0.930 175.024 176.117 -0.273 0.000 1.085 158 I CA 1.279 62.395 61.300 -0.306 0.000 1.347 158 I CB -1.121 36.558 38.000 -0.535 0.000 1.044 158 I HN 0.122 nan 8.210 nan 0.000 0.408 159 P HA -0.144 nan 4.420 nan 0.000 0.218 159 P C 1.893 179.189 177.300 -0.006 0.000 1.148 159 P CA 1.401 64.517 63.100 0.027 0.000 0.822 159 P CB 0.030 31.749 31.700 0.032 0.000 0.784 160 L N -1.547 119.652 121.223 -0.040 0.000 2.109 160 L HA -0.098 4.242 4.340 0.002 0.000 0.207 160 L C 2.341 179.154 176.870 -0.095 0.000 1.086 160 L CA 1.101 55.920 54.840 -0.036 0.000 0.760 160 L CB -0.701 41.352 42.059 -0.010 0.000 0.910 160 L HN -0.083 nan 8.230 nan 0.000 0.437 161 I N -1.096 119.392 120.570 -0.136 0.000 2.226 161 I HA -0.309 3.862 4.170 0.002 0.000 0.245 161 I C 2.623 178.615 176.117 -0.208 0.000 1.100 161 I CA 1.011 62.187 61.300 -0.208 0.000 1.374 161 I CB -0.651 37.240 38.000 -0.181 0.000 1.057 161 I HN 0.297 nan 8.210 nan 0.000 0.413 162 H N 1.428 120.445 119.070 -0.088 0.000 2.319 162 H HA -0.141 4.416 4.556 0.002 0.000 0.297 162 H C 2.498 177.772 175.328 -0.091 0.000 1.097 162 H CA 1.593 57.595 56.048 -0.077 0.000 1.285 162 H CB -0.367 29.366 29.762 -0.049 0.000 1.368 162 H HN 0.352 nan 8.280 nan 0.000 0.495 163 R N 0.342 120.862 120.500 0.032 0.000 2.092 163 R HA 0.022 4.363 4.340 0.002 0.000 0.231 163 R C 2.609 178.857 176.300 -0.087 0.000 1.119 163 R CA 0.883 56.976 56.100 -0.011 0.000 0.970 163 R CB -0.200 30.102 30.300 0.003 0.000 0.864 163 R HN 0.224 nan 8.270 nan 0.000 0.440 164 A N 1.647 124.325 122.820 -0.236 0.000 1.883 164 A HA -0.143 4.178 4.320 0.002 0.000 0.217 164 A C 2.168 179.534 177.584 -0.362 0.000 1.186 164 A CA 1.304 53.005 52.037 -0.560 0.000 0.624 164 A CB -0.583 17.605 19.000 -1.352 0.000 0.822 164 A HN 0.176 nan 8.150 nan 0.000 0.444 165 L N -1.414 119.668 121.223 -0.235 0.000 2.109 165 L HA -0.188 4.152 4.340 0.002 0.000 0.207 165 L C 2.807 179.658 176.870 -0.032 0.000 1.086 165 L CA 1.570 56.347 54.840 -0.104 0.000 0.760 165 L CB -0.904 41.118 42.059 -0.063 0.000 0.910 165 L HN 0.513 nan 8.230 nan 0.000 0.437 166 Q N 0.650 120.438 119.800 -0.020 0.000 2.077 166 Q HA -0.213 4.128 4.340 0.002 0.000 0.206 166 Q C 2.392 178.402 176.000 0.016 0.000 0.989 166 Q CA 1.691 57.495 55.803 0.002 0.000 0.853 166 Q CB -0.085 28.656 28.738 0.004 0.000 0.907 166 Q HN 0.499 nan 8.270 nan 0.000 0.418 167 L N -0.030 121.205 121.223 0.021 0.000 2.201 167 L HA -0.005 4.336 4.340 0.002 0.000 0.212 167 L C 0.861 177.789 176.870 0.097 0.000 1.105 167 L CA 0.057 54.938 54.840 0.068 0.000 0.775 167 L CB -0.315 41.809 42.059 0.109 0.000 0.913 167 L HN 0.113 nan 8.230 nan 0.000 0.440 168 A N 0.221 123.098 122.820 0.095 0.000 2.366 168 A HA 0.207 4.528 4.320 0.002 0.000 0.272 168 A C 1.161 178.792 177.584 0.079 0.000 1.135 168 A CA -0.533 51.579 52.037 0.125 0.000 0.804 168 A CB 0.584 19.678 19.000 0.156 0.000 1.064 168 A HN 0.418 nan 8.150 nan 0.000 0.499 169 Q N 2.922 122.768 119.800 0.077 0.000 2.002 169 Q HA -0.159 4.182 4.340 0.002 0.000 0.204 169 Q C 0.272 176.300 176.000 0.047 0.000 0.988 169 Q CA 0.995 56.830 55.803 0.054 0.000 0.843 169 Q CB -0.412 28.355 28.738 0.049 0.000 0.908 169 Q HN 0.751 nan 8.270 nan 0.000 0.420 170 R N 1.864 122.397 120.500 0.055 0.000 2.615 170 R HA 0.294 4.635 4.340 0.002 0.000 0.270 170 R C -2.333 173.991 176.300 0.040 0.000 1.081 170 R CA -1.954 54.171 56.100 0.043 0.000 1.154 170 R CB -0.294 30.036 30.300 0.050 0.000 1.063 170 R HN 0.128 nan 8.270 nan 0.000 0.519 171 P HA -0.014 nan 4.420 nan 0.000 0.264 171 P C -0.899 176.406 177.300 0.008 0.000 1.193 171 P CA 0.036 63.140 63.100 0.007 0.000 0.763 171 P CB 0.535 32.230 31.700 -0.009 0.000 0.810 172 V N 3.461 123.380 119.914 0.008 0.000 2.407 172 V HA 0.266 4.387 4.120 0.002 0.000 0.278 172 V C 0.377 176.456 176.094 -0.024 0.000 1.037 172 V CA -0.173 62.136 62.300 0.015 0.000 0.900 172 V CB 1.375 33.209 31.823 0.018 0.000 0.983 172 V HN 0.469 nan 8.190 nan 0.000 0.459 173 S N 5.697 121.372 115.700 -0.041 0.000 2.489 173 S HA 0.678 5.149 4.470 0.002 0.000 0.291 173 S C -0.394 174.251 174.600 0.075 0.000 1.151 173 S CA -0.546 57.644 58.200 -0.018 0.000 1.082 173 S CB 1.048 64.106 63.200 -0.236 0.000 1.019 173 S HN 0.505 nan 8.310 nan 0.000 0.492 174 L N 3.350 124.605 121.223 0.053 0.000 2.307 174 L HA 0.596 4.937 4.340 0.002 0.000 0.282 174 L C -0.748 176.289 176.870 0.278 0.000 1.051 174 L CA -0.859 53.942 54.840 -0.066 0.000 0.804 174 L CB 1.088 42.656 42.059 -0.818 0.000 1.197 174 L HN 0.427 nan 8.230 nan 0.000 0.431 175 L N 3.452 124.904 121.223 0.382 0.000 2.349 175 L HA 0.798 5.139 4.340 0.002 0.000 0.278 175 L C -0.383 176.721 176.870 0.390 0.000 0.996 175 L CA -0.102 54.961 54.840 0.372 0.000 0.825 175 L CB 1.520 43.730 42.059 0.252 0.000 1.243 175 L HN 0.649 nan 8.230 nan 0.000 0.412 176 A N 3.277 126.242 122.820 0.242 0.000 2.312 176 A HA 0.925 5.246 4.320 0.002 0.000 0.328 176 A C -0.635 176.878 177.584 -0.118 0.000 1.158 176 A CA -0.436 51.576 52.037 -0.042 0.000 0.821 176 A CB 1.052 19.693 19.000 -0.599 0.000 1.170 176 A HN 0.727 nan 8.150 nan 0.000 0.490 177 S N 2.356 118.005 115.700 -0.084 0.000 2.572 177 S HA 0.643 5.114 4.470 0.002 0.000 0.274 177 S C -3.092 171.514 174.600 0.011 0.000 1.150 177 S CA -0.819 57.341 58.200 -0.066 0.000 0.944 177 S CB 2.140 65.303 63.200 -0.062 0.000 1.071 177 S HN 0.632 nan 8.310 nan 0.000 0.479 178 P HA 0.266 nan 4.420 nan 0.000 0.282 178 P C 0.062 177.455 177.300 0.156 0.000 1.249 178 P CA -0.575 62.583 63.100 0.096 0.000 0.806 178 P CB 1.025 32.765 31.700 0.068 0.000 0.984 179 W N 0.640 121.940 121.300 0.000 0.000 2.726 179 W HA 0.053 4.714 4.660 0.001 0.000 0.285 179 W C 0.782 177.287 176.519 -0.024 0.000 1.110 179 W CA 0.697 58.056 57.345 0.025 0.000 1.579 179 W CB 0.174 29.666 29.460 0.053 0.000 1.118 179 W HN 0.234 nan 8.180 nan 0.000 0.556 180 T N 0.128 114.763 114.554 0.136 0.000 2.916 180 T HA 0.338 4.689 4.350 0.002 0.000 0.292 180 T C -0.203 174.289 174.700 -0.347 0.000 1.055 180 T CA -0.400 61.630 62.100 -0.118 0.000 1.009 180 T CB 1.624 70.432 68.868 -0.101 0.000 1.118 180 T HN -0.041 nan 8.240 nan 0.000 0.497 181 S N 3.439 118.671 115.700 -0.780 0.000 2.652 181 S HA 0.655 5.126 4.470 0.002 0.000 0.270 181 S C -2.706 171.454 174.600 -0.734 0.000 1.243 181 S CA -1.185 56.259 58.200 -1.259 0.000 0.999 181 S CB 0.479 62.499 63.200 -1.966 0.000 0.973 181 S HN 0.535 nan 8.310 nan 0.000 0.544 182 P HA -0.019 nan 4.420 nan 0.000 0.265 182 P C 1.101 177.991 177.300 -0.682 0.000 1.167 182 P CA 0.466 63.198 63.100 -0.614 0.000 0.760 182 P CB 0.210 31.321 31.700 -0.981 0.000 0.783 183 T N -0.813 113.523 114.554 -0.364 0.000 3.055 183 T HA -0.093 4.258 4.350 0.002 0.000 0.265 183 T C 1.212 175.821 174.700 -0.153 0.000 1.111 183 T CA 0.376 62.339 62.100 -0.227 0.000 1.118 183 T CB -0.605 68.216 68.868 -0.079 0.000 0.909 183 T HN 0.573 nan 8.240 nan 0.000 0.501 184 W N 1.054 122.296 121.300 -0.097 0.000 3.077 184 W HA 0.351 5.012 4.660 0.001 0.000 0.245 184 W C 0.622 177.127 176.519 -0.022 0.000 1.316 184 W CA -0.496 56.817 57.345 -0.054 0.000 1.537 184 W CB -0.820 28.614 29.460 -0.043 0.000 1.131 184 W HN 0.256 nan 8.180 nan 0.000 0.695 185 L N 0.863 121.814 121.223 -0.452 0.000 2.607 185 L HA 0.220 4.561 4.340 0.002 0.000 0.228 185 L C 0.600 177.234 176.870 -0.393 0.000 1.123 185 L CA 0.530 55.160 54.840 -0.351 0.000 0.890 185 L CB -0.251 41.451 42.059 -0.595 0.000 1.103 185 L HN -0.264 nan 8.230 nan 0.000 0.468 186 K N -0.246 119.947 120.400 -0.345 0.000 2.221 186 K HA 0.216 4.537 4.320 0.002 0.000 0.258 186 K C 1.212 177.661 176.600 -0.251 0.000 0.944 186 K CA -0.075 56.009 56.287 -0.339 0.000 0.823 186 K CB 1.982 34.290 32.500 -0.319 0.000 1.113 186 K HN -0.053 nan 8.250 nan 0.000 0.431 187 T N -1.066 113.341 114.554 -0.245 0.000 2.778 187 T HA -0.206 4.145 4.350 0.002 0.000 0.269 187 T C 1.222 175.847 174.700 -0.125 0.000 1.050 187 T CA 1.774 63.766 62.100 -0.179 0.000 1.137 187 T CB -0.233 68.541 68.868 -0.157 0.000 0.860 187 T HN 0.675 nan 8.240 nan 0.000 0.468 188 N N 1.390 120.016 118.700 -0.122 0.000 2.280 188 N HA 0.171 4.912 4.740 0.002 0.000 0.192 188 N C 1.516 176.988 175.510 -0.063 0.000 1.109 188 N CA 0.629 53.631 53.050 -0.081 0.000 0.855 188 N CB -0.590 37.855 38.487 -0.070 0.000 0.974 188 N HN 0.673 nan 8.380 nan 0.000 0.482 189 G N -0.218 108.536 108.800 -0.077 0.000 2.283 189 G HA2 -0.066 3.895 3.960 0.002 0.000 0.280 189 G HA3 -0.066 3.895 3.960 0.002 0.000 0.280 189 G C 0.009 174.887 174.900 -0.036 0.000 1.029 189 G CA 0.550 45.625 45.100 -0.043 0.000 0.840 189 G HN 0.902 nan 8.290 nan 0.000 0.505 190 A N -1.536 121.248 122.820 -0.059 0.000 2.475 190 A HA 0.866 5.187 4.320 0.002 0.000 0.301 190 A C 1.210 178.763 177.584 -0.052 0.000 1.059 190 A CA 0.294 52.310 52.037 -0.034 0.000 0.710 190 A CB 1.324 20.320 19.000 -0.007 0.000 1.288 190 A HN 1.527 nan 8.150 nan 0.000 0.408 191 V N -0.356 119.540 119.914 -0.029 0.000 2.594 191 V HA -0.021 4.100 4.120 0.002 0.000 0.253 191 V C 0.716 176.844 176.094 0.056 0.000 1.069 191 V CA 2.125 64.410 62.300 -0.025 0.000 1.082 191 V CB -1.508 30.292 31.823 -0.039 0.000 0.680 191 V HN 0.979 nan 8.190 nan 0.000 0.469 192 N N 0.136 118.897 118.700 0.102 0.000 3.427 192 N HA 0.622 5.363 4.740 0.002 0.000 0.364 192 N C 0.633 176.200 175.510 0.094 0.000 1.538 192 N CA 0.236 53.380 53.050 0.156 0.000 0.662 192 N CB 0.327 38.956 38.487 0.237 0.000 1.881 192 N HN 0.948 nan 8.380 nan 0.000 0.634 193 G N -0.093 108.776 108.800 0.115 0.000 2.749 193 G HA2 -0.259 3.702 3.960 0.002 0.000 0.242 193 G HA3 -0.259 3.702 3.960 0.002 0.000 0.242 193 G C -0.755 174.169 174.900 0.040 0.000 1.364 193 G CA 0.120 45.263 45.100 0.072 0.000 0.888 193 G HN 0.876 nan 8.290 nan 0.000 0.566 194 K N 0.638 121.042 120.400 0.006 0.000 2.378 194 K HA 0.532 4.853 4.320 0.002 0.000 0.288 194 K C 0.452 177.013 176.600 -0.065 0.000 1.057 194 K CA 0.543 56.810 56.287 -0.033 0.000 0.971 194 K CB -0.250 32.232 32.500 -0.029 0.000 0.975 194 K HN 1.676 nan 8.250 nan 0.000 0.475 195 G N 2.045 110.783 108.800 -0.103 0.000 2.476 195 G HA2 0.223 4.184 3.960 0.002 0.000 0.309 195 G HA3 0.223 4.184 3.960 0.002 0.000 0.309 195 G C -1.174 173.591 174.900 -0.225 0.000 1.575 195 G CA -0.606 44.406 45.100 -0.147 0.000 0.913 195 G HN 0.623 nan 8.290 nan 0.000 0.623 196 S N 1.213 116.758 115.700 -0.258 0.000 2.801 196 S HA 0.831 5.302 4.470 0.002 0.000 0.312 196 S C 0.290 174.631 174.600 -0.431 0.000 1.112 196 S CA -0.952 57.016 58.200 -0.388 0.000 0.943 196 S CB 0.962 63.998 63.200 -0.273 0.000 1.269 196 S HN 0.694 nan 8.310 nan 0.000 0.558 197 L N 1.140 122.030 121.223 -0.554 0.000 2.467 197 L HA 0.295 4.636 4.340 0.002 0.000 0.270 197 L C 0.638 177.341 176.870 -0.278 0.000 1.205 197 L CA -0.218 54.312 54.840 -0.518 0.000 0.828 197 L CB 0.238 41.817 42.059 -0.799 0.000 1.101 197 L HN 0.657 nan 8.230 nan 0.000 0.479 198 K N 0.956 121.149 120.400 -0.346 0.000 2.126 198 K HA 0.482 4.802 4.320 0.002 0.000 0.257 198 K C 0.550 177.111 176.600 -0.065 0.000 1.007 198 K CA 0.337 56.389 56.287 -0.392 0.000 0.928 198 K CB 0.886 32.778 32.500 -1.013 0.000 1.013 198 K HN 0.795 nan 8.250 nan 0.000 0.473 199 G N 0.837 109.630 108.800 -0.013 0.000 2.569 199 G HA2 -0.247 3.714 3.960 0.002 0.000 0.259 199 G HA3 -0.247 3.714 3.960 0.002 0.000 0.259 199 G C -0.976 173.984 174.900 0.101 0.000 1.263 199 G CA -0.065 45.125 45.100 0.152 0.000 0.928 199 G HN 0.626 nan 8.290 nan 0.000 0.572 200 Q N -0.363 119.423 119.800 -0.024 0.000 2.458 200 Q HA 0.703 5.044 4.340 0.002 0.000 0.282 200 Q C -3.066 172.536 176.000 -0.663 0.000 1.106 200 Q CA -2.168 53.480 55.803 -0.259 0.000 0.814 200 Q CB 1.402 30.053 28.738 -0.145 0.000 1.425 200 Q HN 0.382 nan 8.270 nan 0.000 0.437 201 P HA 0.095 nan 4.420 nan 0.000 0.265 201 P C 0.630 177.835 177.300 -0.158 0.000 1.187 201 P CA 2.091 64.942 63.100 -0.415 0.000 0.766 201 P CB 0.220 31.913 31.700 -0.013 0.000 0.820 202 G N 1.614 110.406 108.800 -0.013 0.000 2.284 202 G HA2 -0.205 3.756 3.960 0.002 0.000 0.230 202 G HA3 -0.205 3.756 3.960 0.002 0.000 0.230 202 G C 0.266 175.201 174.900 0.059 0.000 1.021 202 G CA 0.317 45.434 45.100 0.027 0.000 0.619 202 G HN 0.722 nan 8.290 nan 0.000 0.510 203 D N 1.543 121.982 120.400 0.064 0.000 2.414 203 D HA 0.337 4.977 4.640 0.002 0.000 0.259 203 D C 2.347 178.722 176.300 0.125 0.000 1.269 203 D CA -0.003 54.054 54.000 0.095 0.000 1.028 203 D CB -0.031 40.847 40.800 0.129 0.000 1.093 203 D HN 0.488 nan 8.370 nan 0.000 0.545 204 I N -1.656 118.889 120.570 -0.042 0.000 2.361 204 I HA -0.240 3.931 4.170 0.002 0.000 0.251 204 I C 2.106 178.211 176.117 -0.019 0.000 1.133 204 I CA 1.135 62.316 61.300 -0.198 0.000 1.413 204 I CB -1.658 35.913 38.000 -0.714 0.000 1.073 204 I HN 0.309 nan 8.210 nan 0.000 0.424 205 Y N 1.167 121.625 120.300 0.264 0.000 2.220 205 Y HA -0.130 4.421 4.550 0.002 0.000 0.291 205 Y C 2.845 178.910 175.900 0.274 0.000 1.129 205 Y CA 1.554 59.839 58.100 0.309 0.000 1.161 205 Y CB -0.755 37.832 38.460 0.211 0.000 0.997 205 Y HN 0.167 nan 8.280 nan 0.000 0.522 206 H N -0.672 118.635 119.070 0.394 0.000 2.395 206 H HA -0.103 4.454 4.556 0.002 0.000 0.299 206 H C 2.068 177.677 175.328 0.468 0.000 1.070 206 H CA 1.356 57.666 56.048 0.437 0.000 1.356 206 H CB 0.011 30.027 29.762 0.422 0.000 1.401 206 H HN 0.207 nan 8.280 nan 0.000 0.524 207 Q N -0.151 119.916 119.800 0.444 0.000 2.050 207 Q HA -0.100 4.241 4.340 0.002 0.000 0.202 207 Q C 2.234 178.432 176.000 0.331 0.000 0.980 207 Q CA 1.657 57.645 55.803 0.308 0.000 0.840 207 Q CB -0.577 28.277 28.738 0.194 0.000 0.898 207 Q HN 0.449 nan 8.270 nan 0.000 0.424 208 T N 0.852 115.633 114.554 0.379 0.000 2.720 208 T HA -0.178 4.173 4.350 0.002 0.000 0.268 208 T C 1.219 176.217 174.700 0.496 0.000 1.037 208 T CA 1.098 63.453 62.100 0.425 0.000 1.144 208 T CB -0.352 68.825 68.868 0.515 0.000 0.864 208 T HN 0.504 nan 8.240 nan 0.000 0.444 209 W N 1.444 122.892 121.300 0.247 0.000 2.379 209 W HA -0.096 4.565 4.660 0.002 0.000 0.307 209 W C 2.581 179.410 176.519 0.516 0.000 1.200 209 W CA 0.761 58.248 57.345 0.238 0.000 1.297 209 W CB -0.240 29.236 29.460 0.027 0.000 1.140 209 W HN 0.277 nan 8.180 nan 0.000 0.507 210 A N 0.987 124.077 122.820 0.451 0.000 1.940 210 A HA -0.268 4.052 4.320 0.002 0.000 0.219 210 A C 1.924 179.597 177.584 0.149 0.000 1.176 210 A CA 2.003 54.132 52.037 0.153 0.000 0.631 210 A CB -1.014 17.994 19.000 0.013 0.000 0.814 210 A HN 0.442 nan 8.150 nan 0.000 0.446 211 R N -2.071 118.557 120.500 0.213 0.000 2.120 211 R HA -0.169 4.172 4.340 0.002 0.000 0.234 211 R C 1.965 178.365 176.300 0.167 0.000 1.123 211 R CA 1.643 57.841 56.100 0.162 0.000 0.975 211 R CB -0.510 29.897 30.300 0.178 0.000 0.866 211 R HN 0.637 nan 8.270 nan 0.000 0.446 212 Y N 0.059 120.432 120.300 0.121 0.000 2.207 212 Y HA -0.265 4.286 4.550 0.002 0.000 0.287 212 Y C 1.447 177.332 175.900 -0.025 0.000 1.156 212 Y CA 1.845 60.005 58.100 0.099 0.000 1.182 212 Y CB -0.208 38.350 38.460 0.163 0.000 0.979 212 Y HN 0.020 nan 8.280 nan 0.000 0.521 213 F N -1.010 118.902 119.950 -0.062 0.000 2.126 213 F HA -0.267 4.261 4.527 0.002 0.000 0.299 213 F C 2.350 178.063 175.800 -0.145 0.000 1.096 213 F CA 1.623 59.549 58.000 -0.123 0.000 1.255 213 F CB -1.144 37.727 39.000 -0.214 0.000 0.997 213 F HN -0.109 nan 8.300 nan 0.000 0.479 214 V N -0.399 119.533 119.914 0.030 0.000 2.379 214 V HA -0.209 3.912 4.120 0.002 0.000 0.245 214 V C 2.439 178.392 176.094 -0.235 0.000 1.044 214 V CA 1.417 63.673 62.300 -0.074 0.000 1.036 214 V CB -0.474 31.344 31.823 -0.008 0.000 0.664 214 V HN 0.149 nan 8.190 nan 0.000 0.453 215 K N -0.139 120.020 120.400 -0.402 0.000 2.057 215 K HA -0.157 4.164 4.320 0.002 0.000 0.207 215 K C 2.012 178.017 176.600 -0.991 0.000 1.049 215 K CA 1.616 57.376 56.287 -0.879 0.000 0.931 215 K CB -0.858 30.759 32.500 -1.471 0.000 0.714 215 K HN 0.508 nan 8.250 nan 0.000 0.440 216 F N 1.788 121.265 119.950 -0.787 0.000 2.069 216 F HA -0.174 4.354 4.527 0.002 0.000 0.298 216 F C 1.949 177.569 175.800 -0.300 0.000 1.113 216 F CA 1.359 59.158 58.000 -0.335 0.000 1.214 216 F CB -0.413 38.429 39.000 -0.262 0.000 0.978 216 F HN -0.110 nan 8.300 nan 0.000 0.474 217 L N 0.114 121.019 121.223 -0.530 0.000 2.079 217 L HA -0.234 4.107 4.340 0.002 0.000 0.210 217 L C 2.195 178.754 176.870 -0.518 0.000 1.081 217 L CA 1.448 55.902 54.840 -0.644 0.000 0.752 217 L CB -0.898 40.717 42.059 -0.741 0.000 0.896 217 L HN 0.157 nan 8.230 nan 0.000 0.433 218 D N 0.243 120.441 120.400 -0.336 0.000 2.097 218 D HA -0.149 4.492 4.640 0.002 0.000 0.197 218 D C 2.265 178.522 176.300 -0.070 0.000 0.984 218 D CA 1.523 55.481 54.000 -0.071 0.000 0.826 218 D CB -0.111 40.654 40.800 -0.059 0.000 0.973 218 D HN 0.307 nan 8.370 nan 0.000 0.460 219 A N 0.291 123.030 122.820 -0.135 0.000 1.883 219 A HA -0.224 4.097 4.320 0.002 0.000 0.217 219 A C 2.110 179.722 177.584 0.046 0.000 1.186 219 A CA 1.204 53.230 52.037 -0.019 0.000 0.624 219 A CB -1.091 17.923 19.000 0.024 0.000 0.822 219 A HN 0.208 nan 8.150 nan 0.000 0.444 220 Y N -0.162 119.997 120.300 -0.236 0.000 2.274 220 Y HA -0.057 4.494 4.550 0.002 0.000 0.290 220 Y C 2.852 178.777 175.900 0.042 0.000 1.145 220 Y CA 0.704 58.742 58.100 -0.105 0.000 1.203 220 Y CB -0.474 37.878 38.460 -0.180 0.000 0.984 220 Y HN 0.339 nan 8.280 nan 0.000 0.533 221 A N -0.103 122.801 122.820 0.140 0.000 1.969 221 A HA -0.175 4.146 4.320 0.002 0.000 0.218 221 A C 1.997 179.625 177.584 0.074 0.000 1.169 221 A CA 1.507 53.627 52.037 0.138 0.000 0.635 221 A CB -0.560 18.561 19.000 0.201 0.000 0.810 221 A HN 0.503 nan 8.150 nan 0.000 0.445 222 E N -0.577 119.641 120.200 0.030 0.000 2.219 222 E HA -0.188 4.163 4.350 0.002 0.000 0.198 222 E C 0.859 177.363 176.600 -0.160 0.000 0.998 222 E CA 1.202 57.556 56.400 -0.076 0.000 0.818 222 E CB -0.202 29.419 29.700 -0.131 0.000 0.741 222 E HN 0.732 nan 8.360 nan 0.000 0.477 223 H N 0.056 119.105 119.070 -0.035 0.000 2.507 223 H HA 0.145 4.702 4.556 0.002 0.000 0.294 223 H C -0.141 175.247 175.328 0.100 0.000 1.064 223 H CA 0.034 56.081 56.048 -0.001 0.000 1.138 223 H CB 0.513 30.217 29.762 -0.097 0.000 1.515 223 H HN -0.049 nan 8.280 nan 0.000 0.547 224 K N 0.332 120.817 120.400 0.141 0.000 3.096 224 K HA -0.168 4.153 4.320 0.002 0.000 0.266 224 K C -0.534 176.174 176.600 0.179 0.000 1.043 224 K CA 0.354 56.721 56.287 0.134 0.000 0.758 224 K CB -2.181 30.371 32.500 0.086 0.000 1.260 224 K HN 0.419 nan 8.250 nan 0.000 0.481 225 L N 1.314 122.630 121.223 0.155 0.000 2.381 225 L HA 0.319 4.660 4.340 0.002 0.000 0.274 225 L C 0.250 177.194 176.870 0.125 0.000 0.988 225 L CA -0.838 54.063 54.840 0.102 0.000 0.824 225 L CB 1.879 43.986 42.059 0.079 0.000 1.263 225 L HN 0.007 nan 8.230 nan 0.000 0.410 226 Q N 2.762 122.584 119.800 0.038 0.000 2.345 226 Q HA 0.546 4.887 4.340 0.002 0.000 0.268 226 Q C -1.180 174.794 176.000 -0.043 0.000 1.054 226 Q CA -0.660 55.207 55.803 0.107 0.000 0.835 226 Q CB 2.504 31.307 28.738 0.108 0.000 1.339 226 Q HN 0.286 nan 8.270 nan 0.000 0.447 227 F N 0.711 120.708 119.950 0.078 0.000 2.404 227 F HA 0.184 4.712 4.527 0.002 0.000 0.339 227 F C 1.007 176.870 175.800 0.106 0.000 1.105 227 F CA -0.713 57.339 58.000 0.085 0.000 1.087 227 F CB 0.868 39.894 39.000 0.044 0.000 1.143 227 F HN 0.769 nan 8.300 nan 0.000 0.491 228 W N 3.947 125.288 121.300 0.068 0.000 2.418 228 W HA 0.403 5.064 4.660 0.002 0.000 0.292 228 W C -0.236 176.287 176.519 0.007 0.000 1.213 228 W CA 0.983 58.330 57.345 0.004 0.000 1.283 228 W CB -0.011 29.420 29.460 -0.050 0.000 1.119 228 W HN 0.454 nan 8.180 nan 0.000 0.542 229 A N 0.152 122.770 122.820 -0.337 0.000 2.605 229 A HA 0.542 4.863 4.320 0.002 0.000 0.294 229 A C -1.354 176.062 177.584 -0.280 0.000 1.062 229 A CA -0.261 51.378 52.037 -0.665 0.000 0.682 229 A CB 0.630 18.647 19.000 -1.638 0.000 1.278 229 A HN 0.579 nan 8.150 nan 0.000 0.410 230 V N -0.906 118.848 119.914 -0.268 0.000 2.769 230 V HA 0.943 5.064 4.120 0.002 0.000 0.312 230 V C 0.117 176.109 176.094 -0.170 0.000 1.061 230 V CA 0.060 62.265 62.300 -0.158 0.000 0.931 230 V CB 1.314 33.110 31.823 -0.044 0.000 1.010 230 V HN 1.718 nan 8.190 nan 0.000 0.433 231 T N 0.708 115.194 114.554 -0.113 0.000 2.918 231 T HA 0.689 5.040 4.350 0.002 0.000 0.283 231 T C 1.105 175.795 174.700 -0.016 0.000 1.001 231 T CA 0.016 62.050 62.100 -0.110 0.000 1.041 231 T CB 1.649 70.437 68.868 -0.134 0.000 1.028 231 T HN 1.582 nan 8.240 nan 0.000 0.511 232 A N 0.812 123.584 122.820 -0.080 0.000 2.119 232 A HA 0.357 4.678 4.320 0.002 0.000 0.217 232 A C 0.779 178.374 177.584 0.018 0.000 1.153 232 A CA 1.017 53.020 52.037 -0.056 0.000 0.692 232 A CB -0.779 18.125 19.000 -0.159 0.000 0.799 232 A HN 1.052 nan 8.150 nan 0.000 0.458 233 E N -1.699 118.460 120.200 -0.069 0.000 2.972 233 E HA 0.104 4.455 4.350 0.002 0.000 0.311 233 E C -1.299 175.139 176.600 -0.270 0.000 1.132 233 E CA -0.309 56.035 56.400 -0.094 0.000 0.912 233 E CB -0.386 29.239 29.700 -0.126 0.000 1.174 233 E HN 0.194 nan 8.360 nan 0.000 0.462 234 N N 2.950 121.389 118.700 -0.436 0.000 2.475 234 N HA 0.165 4.906 4.740 0.002 0.000 0.267 234 N C -0.727 174.437 175.510 -0.577 0.000 1.169 234 N CA 0.652 53.285 53.050 -0.694 0.000 0.947 234 N CB 0.429 37.996 38.487 -1.534 0.000 1.061 234 N HN 0.610 nan 8.380 nan 0.000 0.466 235 E N 1.535 121.379 120.200 -0.594 0.000 2.183 235 E HA -0.198 4.153 4.350 0.002 0.000 0.196 235 E C -1.642 174.731 176.600 -0.380 0.000 1.364 235 E CA 0.021 56.103 56.400 -0.530 0.000 0.700 235 E CB -0.449 28.995 29.700 -0.427 0.000 1.106 235 E HN 0.685 nan 8.360 nan 0.000 0.347 236 P HA -0.256 nan 4.420 nan 0.000 0.218 236 P C 1.415 178.704 177.300 -0.018 0.000 1.146 236 P CA 1.872 64.946 63.100 -0.044 0.000 0.813 236 P CB 0.070 31.823 31.700 0.089 0.000 0.778 237 S N -0.372 115.244 115.700 -0.140 0.000 2.453 237 S HA 0.034 4.505 4.470 0.002 0.000 0.231 237 S C 2.173 176.648 174.600 -0.209 0.000 1.005 237 S CA 0.768 58.924 58.200 -0.073 0.000 0.949 237 S CB -1.154 61.985 63.200 -0.101 0.000 0.774 237 S HN 0.122 nan 8.310 nan 0.000 0.510 238 A N 1.879 124.466 122.820 -0.388 0.000 1.940 238 A HA 0.183 4.504 4.320 0.002 0.000 0.219 238 A C 2.261 179.493 177.584 -0.586 0.000 1.176 238 A CA 1.415 53.005 52.037 -0.745 0.000 0.631 238 A CB -1.596 16.694 19.000 -1.183 0.000 0.814 238 A HN 0.693 nan 8.150 nan 0.000 0.446 239 G N -0.926 107.681 108.800 -0.321 0.000 2.848 239 G HA2 0.216 4.177 3.960 0.002 0.000 0.208 239 G HA3 0.216 4.177 3.960 0.002 0.000 0.208 239 G C 1.022 175.846 174.900 -0.127 0.000 1.152 239 G CA 0.465 45.456 45.100 -0.181 0.000 0.789 239 G HN 0.457 nan 8.290 nan 0.000 0.531 240 L N -0.341 120.812 121.223 -0.116 0.000 2.640 240 L HA 0.405 4.746 4.340 0.002 0.000 0.230 240 L C 0.308 177.144 176.870 -0.056 0.000 1.123 240 L CA -0.032 54.770 54.840 -0.064 0.000 0.900 240 L CB 0.249 42.294 42.059 -0.023 0.000 1.146 240 L HN 0.029 nan 8.230 nan 0.000 0.484 241 L N 0.791 121.971 121.223 -0.072 0.000 2.280 241 L HA 0.298 4.639 4.340 0.002 0.000 0.287 241 L C 0.622 177.503 176.870 0.017 0.000 1.023 241 L CA -0.479 54.345 54.840 -0.028 0.000 0.819 241 L CB 1.636 43.678 42.059 -0.028 0.000 1.212 241 L HN 0.096 nan 8.230 nan 0.000 0.420 242 S N 2.129 117.833 115.700 0.008 0.000 2.537 242 S HA 0.298 4.769 4.470 0.002 0.000 0.286 242 S C 1.228 175.842 174.600 0.023 0.000 1.299 242 S CA 0.206 58.412 58.200 0.010 0.000 1.067 242 S CB 0.921 64.119 63.200 -0.003 0.000 0.864 242 S HN 1.055 nan 8.310 nan 0.000 0.494 243 G N 1.918 110.733 108.800 0.026 0.000 2.162 243 G HA2 -0.327 3.634 3.960 0.002 0.000 0.260 243 G HA3 -0.327 3.634 3.960 0.002 0.000 0.260 243 G C -0.047 174.859 174.900 0.011 0.000 0.976 243 G CA 0.306 45.414 45.100 0.014 0.000 0.655 243 G HN 1.196 nan 8.290 nan 0.000 0.533 244 Y N 2.312 122.562 120.300 -0.082 0.000 2.865 244 Y HA 0.202 4.753 4.550 0.002 0.000 0.338 244 Y C -0.135 175.698 175.900 -0.113 0.000 1.269 244 Y CA -0.203 57.819 58.100 -0.131 0.000 1.585 244 Y CB 0.898 39.292 38.460 -0.110 0.000 1.224 244 Y HN 0.135 nan 8.280 nan 0.000 0.554 245 P HA -0.063 nan 4.420 nan 0.000 0.230 245 P C -0.270 176.907 177.300 -0.206 0.000 1.168 245 P CA 0.878 63.737 63.100 -0.401 0.000 0.793 245 P CB 0.188 31.596 31.700 -0.488 0.000 0.851 246 F N 0.108 119.832 119.950 -0.376 0.000 2.380 246 F HA 0.322 4.850 4.527 0.002 0.000 0.321 246 F C 1.051 177.033 175.800 0.304 0.000 1.103 246 F CA -1.656 56.334 58.000 -0.017 0.000 1.067 246 F CB 0.403 39.467 39.000 0.106 0.000 1.265 246 F HN -0.323 nan 8.300 nan 0.000 0.517 247 Q N 1.117 121.276 119.800 0.598 0.000 2.315 247 Q HA 0.205 4.546 4.340 0.002 0.000 0.289 247 Q C -0.438 175.861 176.000 0.499 0.000 1.044 247 Q CA 0.234 56.305 55.803 0.448 0.000 0.920 247 Q CB 0.517 29.450 28.738 0.326 0.000 1.214 247 Q HN 0.682 nan 8.270 nan 0.000 0.392 248 C N 0.281 119.745 119.300 0.273 0.000 3.314 248 C HA 0.893 5.354 4.460 0.002 0.000 0.344 248 C C -1.761 173.215 174.990 -0.024 0.000 1.461 248 C CA -1.213 57.886 59.018 0.136 0.000 1.249 248 C CB 0.832 28.643 27.740 0.119 0.000 1.632 248 C HN 0.797 nan 8.230 nan 0.000 0.452 249 L N 1.506 122.677 121.223 -0.087 0.000 2.737 249 L HA 0.671 5.012 4.340 0.002 0.000 0.261 249 L C 0.005 176.777 176.870 -0.163 0.000 0.949 249 L CA 0.425 55.145 54.840 -0.201 0.000 0.952 249 L CB 1.017 42.928 42.059 -0.246 0.000 1.337 249 L HN 1.439 nan 8.230 nan 0.000 0.430 250 G N 3.511 112.154 108.800 -0.260 0.000 2.364 250 G HA2 0.484 4.445 3.960 0.002 0.000 0.267 250 G HA3 0.484 4.445 3.960 0.002 0.000 0.267 250 G C -1.106 173.593 174.900 -0.335 0.000 1.233 250 G CA 0.019 45.007 45.100 -0.186 0.000 0.885 250 G HN 0.372 nan 8.290 nan 0.000 0.490 251 F N 0.613 120.545 119.950 -0.030 0.000 2.556 251 F HA 0.432 4.960 4.527 0.002 0.000 0.314 251 F C 0.956 176.846 175.800 0.150 0.000 1.106 251 F CA -0.767 57.244 58.000 0.018 0.000 0.911 251 F CB 2.363 41.366 39.000 0.005 0.000 1.190 251 F HN 0.612 nan 8.300 nan 0.000 0.448 252 T N -0.360 114.340 114.554 0.244 0.000 2.816 252 T HA 0.262 4.613 4.350 0.002 0.000 0.282 252 T C -1.921 172.560 174.700 -0.365 0.000 0.993 252 T CA -1.706 60.416 62.100 0.037 0.000 0.994 252 T CB 1.274 70.140 68.868 -0.005 0.000 1.025 252 T HN 0.325 nan 8.240 nan 0.000 0.529 253 P HA -0.084 nan 4.420 nan 0.000 0.218 253 P C 1.053 177.986 177.300 -0.611 0.000 1.148 253 P CA 1.156 63.321 63.100 -1.558 0.000 0.822 253 P CB 0.095 30.781 31.700 -1.690 0.000 0.784 254 E N -1.151 118.854 120.200 -0.325 0.000 2.051 254 E HA -0.196 4.155 4.350 0.002 0.000 0.192 254 E C 2.237 178.858 176.600 0.035 0.000 0.991 254 E CA 1.089 57.413 56.400 -0.128 0.000 0.799 254 E CB -1.204 28.444 29.700 -0.087 0.000 0.748 254 E HN 0.477 nan 8.360 nan 0.000 0.449 255 H N -0.033 119.032 119.070 -0.008 0.000 2.352 255 H HA -0.191 4.366 4.556 0.001 0.000 0.299 255 H C 2.272 177.798 175.328 0.330 0.000 1.097 255 H CA 1.558 57.706 56.048 0.168 0.000 1.311 255 H CB 0.249 30.120 29.762 0.181 0.000 1.377 255 H HN 0.163 nan 8.280 nan 0.000 0.504 256 Q N 0.700 120.681 119.800 0.301 0.000 2.050 256 Q HA -0.206 4.135 4.340 0.002 0.000 0.202 256 Q C 2.559 178.617 176.000 0.097 0.000 0.980 256 Q CA 1.471 57.359 55.803 0.141 0.000 0.840 256 Q CB -0.100 28.674 28.738 0.061 0.000 0.898 256 Q HN 0.348 nan 8.270 nan 0.000 0.424 257 R N 0.048 120.552 120.500 0.007 0.000 2.133 257 R HA -0.229 4.112 4.340 0.002 0.000 0.245 257 R C 1.393 177.718 176.300 0.042 0.000 1.137 257 R CA 2.291 58.381 56.100 -0.017 0.000 0.947 257 R CB -0.285 29.973 30.300 -0.071 0.000 0.865 257 R HN 0.458 nan 8.270 nan 0.000 0.437 258 D N -0.632 119.841 120.400 0.121 0.000 2.162 258 D HA -0.127 4.514 4.640 0.002 0.000 0.203 258 D C 1.640 178.063 176.300 0.205 0.000 0.967 258 D CA 0.726 54.806 54.000 0.132 0.000 0.840 258 D CB -0.391 40.482 40.800 0.122 0.000 0.972 258 D HN 0.200 nan 8.370 nan 0.000 0.482 259 F N 2.244 122.320 119.950 0.210 0.000 2.095 259 F HA -0.173 4.355 4.527 0.002 0.000 0.298 259 F C 2.101 177.911 175.800 0.016 0.000 1.104 259 F CA 1.116 59.249 58.000 0.222 0.000 1.232 259 F CB -0.487 38.721 39.000 0.346 0.000 0.987 259 F HN -0.161 nan 8.300 nan 0.000 0.475 260 I N 0.367 120.755 120.570 -0.303 0.000 2.127 260 I HA -0.331 3.840 4.170 0.002 0.000 0.241 260 I C 2.760 178.679 176.117 -0.331 0.000 1.075 260 I CA 1.397 62.429 61.300 -0.446 0.000 1.334 260 I CB -1.210 36.645 38.000 -0.242 0.000 1.040 260 I HN 0.252 nan 8.210 nan 0.000 0.405 261 A N 0.856 123.614 122.820 -0.103 0.000 1.865 261 A HA -0.183 4.138 4.320 0.002 0.000 0.217 261 A C 2.405 179.956 177.584 -0.054 0.000 1.191 261 A CA 1.544 53.590 52.037 0.015 0.000 0.623 261 A CB -0.425 18.601 19.000 0.043 0.000 0.826 261 A HN 0.280 nan 8.150 nan 0.000 0.444 262 R N -0.497 119.963 120.500 -0.066 0.000 2.100 262 R HA 0.041 4.382 4.340 0.002 0.000 0.220 262 R C 0.867 177.115 176.300 -0.088 0.000 1.091 262 R CA 1.441 57.518 56.100 -0.037 0.000 0.986 262 R CB -0.377 29.934 30.300 0.018 0.000 0.888 262 R HN 0.655 nan 8.270 nan 0.000 0.444 263 D N -0.431 119.858 120.400 -0.185 0.000 3.234 263 D HA -0.023 4.618 4.640 0.002 0.000 0.281 263 D C 1.828 177.842 176.300 -0.477 0.000 1.405 263 D CA -0.161 53.718 54.000 -0.201 0.000 1.115 263 D CB -0.289 40.587 40.800 0.127 0.000 1.198 263 D HN -0.084 nan 8.370 nan 0.000 0.388 264 L N 2.154 122.815 121.223 -0.936 0.000 2.027 264 L HA 0.052 4.393 4.340 0.002 0.000 0.206 264 L C 2.234 178.626 176.870 -0.796 0.000 1.074 264 L CA 2.112 56.363 54.840 -0.982 0.000 0.745 264 L CB -1.030 40.177 42.059 -1.419 0.000 0.898 264 L HN 0.111 nan 8.230 nan 0.000 0.433 265 G N -0.282 107.935 108.800 -0.973 0.000 2.511 265 G HA2 -0.227 3.734 3.960 0.002 0.000 0.216 265 G HA3 -0.227 3.734 3.960 0.002 0.000 0.216 265 G C -0.602 173.590 174.900 -1.180 0.000 1.218 265 G CA 0.981 45.139 45.100 -1.571 0.000 0.788 265 G HN 0.361 nan 8.290 nan 0.000 0.560 266 P HA -0.071 nan 4.420 nan 0.000 0.216 266 P C 2.062 179.241 177.300 -0.202 0.000 1.153 266 P CA 2.014 64.938 63.100 -0.294 0.000 0.858 266 P CB -0.325 31.274 31.700 -0.169 0.000 0.789 267 T N -0.211 114.198 114.554 -0.241 0.000 2.674 267 T HA -0.118 4.233 4.350 0.002 0.000 0.265 267 T C 1.843 176.469 174.700 -0.123 0.000 1.039 267 T CA 1.071 63.080 62.100 -0.151 0.000 1.150 267 T CB -1.044 67.737 68.868 -0.146 0.000 0.864 267 T HN 0.041 nan 8.240 nan 0.000 0.427 268 L N 0.664 121.772 121.223 -0.192 0.000 2.012 268 L HA -0.144 4.197 4.340 0.002 0.000 0.210 268 L C 3.046 179.912 176.870 -0.006 0.000 1.073 268 L CA 1.338 56.114 54.840 -0.106 0.000 0.748 268 L CB -0.664 41.288 42.059 -0.179 0.000 0.891 268 L HN 0.281 nan 8.230 nan 0.000 0.431 269 A N -0.175 122.632 122.820 -0.023 0.000 1.917 269 A HA -0.278 4.043 4.320 0.002 0.000 0.219 269 A C 1.911 179.515 177.584 0.035 0.000 1.182 269 A CA 2.206 54.280 52.037 0.061 0.000 0.633 269 A CB -0.709 18.352 19.000 0.103 0.000 0.819 269 A HN 0.455 nan 8.150 nan 0.000 0.448 270 N N -0.081 118.620 118.700 0.001 0.000 2.575 270 N HA -0.008 4.733 4.740 0.002 0.000 0.192 270 N C 0.288 175.813 175.510 0.024 0.000 1.200 270 N CA 0.721 53.770 53.050 -0.001 0.000 0.897 270 N CB -0.262 38.218 38.487 -0.011 0.000 0.990 270 N HN 0.600 nan 8.380 nan 0.000 0.449 271 S N -2.747 112.992 115.700 0.066 0.000 2.704 271 S HA 0.245 4.716 4.470 0.002 0.000 0.305 271 S C 1.389 176.055 174.600 0.110 0.000 1.107 271 S CA -0.262 57.987 58.200 0.081 0.000 0.993 271 S CB 0.972 64.243 63.200 0.118 0.000 1.110 271 S HN 0.222 nan 8.310 nan 0.000 0.534 272 T N -1.829 112.721 114.554 -0.007 0.000 3.025 272 T HA -0.102 4.249 4.350 0.002 0.000 0.270 272 T C 0.691 175.189 174.700 -0.336 0.000 1.126 272 T CA 1.017 63.038 62.100 -0.131 0.000 1.105 272 T CB -0.786 67.911 68.868 -0.285 0.000 0.884 272 T HN 0.762 nan 8.240 nan 0.000 0.522 273 H N 0.804 119.865 119.070 -0.014 0.000 2.507 273 H HA 0.173 4.730 4.556 0.002 0.000 0.294 273 H C 1.542 176.795 175.328 -0.126 0.000 1.064 273 H CA 0.483 56.478 56.048 -0.088 0.000 1.138 273 H CB -0.246 29.494 29.762 -0.038 0.000 1.515 273 H HN 0.850 nan 8.280 nan 0.000 0.547 274 H N -0.920 118.171 119.070 0.035 0.000 2.491 274 H HA -0.021 4.536 4.556 0.002 0.000 0.290 274 H C 1.420 176.752 175.328 0.005 0.000 1.050 274 H CA 0.825 56.880 56.048 0.011 0.000 1.309 274 H CB 0.073 29.834 29.762 -0.002 0.000 1.392 274 H HN 0.047 nan 8.280 nan 0.000 0.554 275 N N 0.962 119.408 118.700 -0.423 0.000 2.459 275 N HA -0.036 4.705 4.740 0.002 0.000 0.181 275 N C -0.084 175.366 175.510 -0.101 0.000 1.046 275 N CA 0.480 53.413 53.050 -0.196 0.000 0.904 275 N CB 0.123 38.475 38.487 -0.225 0.000 0.964 275 N HN 0.199 nan 8.380 nan 0.000 0.444 276 V N 3.827 123.696 119.914 -0.074 0.000 2.540 276 V HA -0.034 4.087 4.120 0.002 0.000 0.297 276 V C 0.876 176.871 176.094 -0.166 0.000 1.024 276 V CA -0.069 62.183 62.300 -0.080 0.000 1.105 276 V CB 0.254 32.068 31.823 -0.014 0.000 0.938 276 V HN 0.127 nan 8.190 nan 0.000 0.482 277 R N 3.635 123.949 120.500 -0.310 0.000 2.615 277 R HA 0.467 4.808 4.340 0.002 0.000 0.270 277 R C -0.479 175.636 176.300 -0.310 0.000 1.081 277 R CA -0.747 55.134 56.100 -0.366 0.000 1.154 277 R CB 0.565 30.484 30.300 -0.635 0.000 1.063 277 R HN 0.530 nan 8.270 nan 0.000 0.519 278 L N 2.287 123.387 121.223 -0.205 0.000 2.333 278 L HA 0.420 4.761 4.340 0.002 0.000 0.280 278 L C -1.090 175.681 176.870 -0.165 0.000 1.004 278 L CA -0.281 54.440 54.840 -0.198 0.000 0.820 278 L CB 1.220 43.168 42.059 -0.185 0.000 1.247 278 L HN 0.414 nan 8.230 nan 0.000 0.416 279 L N 5.759 126.860 121.223 -0.203 0.000 2.317 279 L HA 0.579 4.920 4.340 0.002 0.000 0.281 279 L C 0.227 177.009 176.870 -0.146 0.000 1.024 279 L CA -0.736 54.004 54.840 -0.166 0.000 0.810 279 L CB 1.668 43.605 42.059 -0.204 0.000 1.240 279 L HN 0.746 nan 8.230 nan 0.000 0.427 280 M N 1.873 121.400 119.600 -0.121 0.000 2.513 280 M HA 0.550 5.031 4.480 0.002 0.000 0.291 280 M C 0.555 176.775 176.300 -0.132 0.000 1.190 280 M CA -0.297 54.941 55.300 -0.103 0.000 0.960 280 M CB 1.415 33.981 32.600 -0.057 0.000 1.517 280 M HN 0.496 nan 8.290 nan 0.000 0.499 281 L N 0.070 121.200 121.223 -0.155 0.000 3.838 281 L HA -0.332 4.009 4.340 0.002 0.000 0.053 281 L C 0.207 176.805 176.870 -0.453 0.000 4.244 281 L CA 2.893 57.502 54.840 -0.384 0.000 0.724 281 L CB -1.827 40.030 42.059 -0.336 0.000 3.466 281 L HN 1.178 nan 8.230 nan 0.000 0.932 282 D N 0.797 120.992 120.400 -0.342 0.000 2.737 282 D HA -0.079 4.562 4.640 0.002 0.000 0.238 282 D C -0.378 175.463 176.300 -0.764 0.000 1.157 282 D CA 1.472 55.255 54.000 -0.362 0.000 0.694 282 D CB -0.746 39.880 40.800 -0.290 0.000 1.021 282 D HN 0.712 nan 8.370 nan 0.000 0.420 283 D N -0.753 119.200 120.400 -0.745 0.000 2.779 283 D HA 0.125 4.766 4.640 0.002 0.000 0.331 283 D C -0.497 175.505 176.300 -0.496 0.000 1.331 283 D CA -0.443 53.047 54.000 -0.849 0.000 0.866 283 D CB 0.589 40.925 40.800 -0.773 0.000 1.409 283 D HN -0.091 nan 8.370 nan 0.000 0.486 284 Q N 0.801 120.384 119.800 -0.363 0.000 2.349 284 Q HA 0.049 4.389 4.340 0.002 0.000 0.287 284 Q C 1.160 177.067 176.000 -0.156 0.000 1.044 284 Q CA 0.359 56.062 55.803 -0.167 0.000 0.918 284 Q CB 0.430 29.086 28.738 -0.136 0.000 1.242 284 Q HN 0.512 nan 8.270 nan 0.000 0.405 285 R N 2.476 122.937 120.500 -0.065 0.000 2.237 285 R HA -0.080 4.261 4.340 0.002 0.000 0.219 285 R C 1.693 177.956 176.300 -0.062 0.000 1.080 285 R CA 0.763 56.829 56.100 -0.056 0.000 0.995 285 R CB -0.525 29.769 30.300 -0.011 0.000 0.875 285 R HN 0.620 nan 8.270 nan 0.000 0.462 286 L N 0.055 121.230 121.223 -0.080 0.000 2.351 286 L HA -0.091 4.250 4.340 0.002 0.000 0.220 286 L C 1.526 178.379 176.870 -0.029 0.000 1.127 286 L CA 1.640 56.440 54.840 -0.067 0.000 0.786 286 L CB -0.822 41.181 42.059 -0.094 0.000 0.914 286 L HN 0.269 nan 8.230 nan 0.000 0.443 287 L N 0.064 121.251 121.223 -0.061 0.000 2.552 287 L HA 0.114 4.455 4.340 0.002 0.000 0.227 287 L C 1.002 177.963 176.870 0.152 0.000 1.146 287 L CA 0.158 55.004 54.840 0.010 0.000 0.858 287 L CB -0.115 41.753 42.059 -0.318 0.000 0.969 287 L HN 0.227 nan 8.230 nan 0.000 0.451 288 L N -0.272 120.997 121.223 0.076 0.000 2.334 288 L HA 0.272 4.613 4.340 0.002 0.000 0.275 288 L C -1.458 175.479 176.870 0.111 0.000 1.036 288 L CA -1.713 53.194 54.840 0.112 0.000 0.807 288 L CB 1.085 43.180 42.059 0.060 0.000 1.231 288 L HN -0.233 nan 8.230 nan 0.000 0.438 289 P HA -0.072 nan 4.420 nan 0.000 0.231 289 P C 1.128 178.558 177.300 0.217 0.000 1.168 289 P CA 0.698 63.907 63.100 0.182 0.000 0.779 289 P CB 0.115 31.921 31.700 0.177 0.000 0.844 290 H N -0.893 118.260 119.070 0.138 0.000 2.267 290 H HA -0.210 4.347 4.556 0.002 0.000 0.291 290 H C 1.527 176.932 175.328 0.129 0.000 1.094 290 H CA 2.176 58.297 56.048 0.122 0.000 1.227 290 H CB -1.004 28.821 29.762 0.106 0.000 1.351 290 H HN 0.049 nan 8.280 nan 0.000 0.483 291 W N 0.382 121.608 121.300 -0.124 0.000 2.342 291 W HA -0.141 4.520 4.660 0.001 0.000 0.297 291 W C 2.887 179.263 176.519 -0.240 0.000 1.213 291 W CA 2.263 59.486 57.345 -0.205 0.000 1.251 291 W CB -0.695 28.701 29.460 -0.107 0.000 1.136 291 W HN 0.407 nan 8.180 nan 0.000 0.526 292 A N -0.248 122.590 122.820 0.031 0.000 1.929 292 A HA -0.170 4.151 4.320 0.002 0.000 0.216 292 A C 1.889 179.240 177.584 -0.389 0.000 1.176 292 A CA 1.708 53.613 52.037 -0.220 0.000 0.628 292 A CB -0.550 18.335 19.000 -0.191 0.000 0.816 292 A HN 0.278 nan 8.150 nan 0.000 0.444 293 K N -0.384 119.969 120.400 -0.079 0.000 2.026 293 K HA -0.073 4.247 4.320 0.002 0.000 0.208 293 K C 1.864 178.394 176.600 -0.116 0.000 1.048 293 K CA 1.477 57.804 56.287 0.068 0.000 0.929 293 K CB -0.379 32.199 32.500 0.131 0.000 0.713 293 K HN 0.277 nan 8.250 nan 0.000 0.439 294 V N 0.773 120.517 119.914 -0.284 0.000 2.261 294 V HA -0.236 3.885 4.120 0.002 0.000 0.246 294 V C 2.221 178.175 176.094 -0.233 0.000 1.047 294 V CA 1.660 63.773 62.300 -0.311 0.000 1.015 294 V CB -0.356 31.153 31.823 -0.523 0.000 0.642 294 V HN 0.093 nan 8.190 nan 0.000 0.446 295 V N -0.394 119.372 119.914 -0.248 0.000 2.379 295 V HA -0.162 3.959 4.120 0.002 0.000 0.245 295 V C 2.095 178.071 176.094 -0.197 0.000 1.044 295 V CA 1.764 63.949 62.300 -0.192 0.000 1.036 295 V CB -0.471 31.263 31.823 -0.148 0.000 0.664 295 V HN 0.438 nan 8.190 nan 0.000 0.453 296 L N 0.453 121.486 121.223 -0.317 0.000 2.509 296 L HA 0.011 4.352 4.340 0.002 0.000 0.222 296 L C 2.307 179.109 176.870 -0.113 0.000 1.123 296 L CA 1.129 55.755 54.840 -0.357 0.000 0.856 296 L CB -0.545 41.015 42.059 -0.831 0.000 0.985 296 L HN 0.512 nan 8.230 nan 0.000 0.456 297 T N -4.662 109.875 114.554 -0.027 0.000 3.129 297 T HA -0.031 4.320 4.350 0.002 0.000 0.251 297 T C 0.517 175.220 174.700 0.005 0.000 1.117 297 T CA -0.178 61.963 62.100 0.067 0.000 1.034 297 T CB -0.231 68.699 68.868 0.102 0.000 0.968 297 T HN 0.040 nan 8.240 nan 0.000 0.526 298 D N 1.916 122.295 120.400 -0.035 0.000 2.427 298 D HA 0.323 4.964 4.640 0.002 0.000 0.226 298 D C -2.002 174.273 176.300 -0.041 0.000 1.076 298 D CA -2.741 51.237 54.000 -0.036 0.000 0.849 298 D CB 2.056 42.829 40.800 -0.044 0.000 1.052 298 D HN -0.043 nan 8.370 nan 0.000 0.515 299 P HA -0.098 nan 4.420 nan 0.000 0.218 299 P C 0.983 178.233 177.300 -0.085 0.000 1.149 299 P CA 0.760 63.827 63.100 -0.056 0.000 0.817 299 P CB 0.456 32.127 31.700 -0.047 0.000 0.785 300 E N -0.391 119.773 120.200 -0.059 0.000 2.153 300 E HA -0.122 4.229 4.350 0.002 0.000 0.194 300 E C 1.949 178.556 176.600 0.012 0.000 0.988 300 E CA 1.390 57.766 56.400 -0.040 0.000 0.811 300 E CB -0.895 28.805 29.700 0.001 0.000 0.746 300 E HN 0.221 nan 8.360 nan 0.000 0.466 301 A N 1.350 124.172 122.820 0.004 0.000 1.850 301 A HA 0.131 4.452 4.320 0.002 0.000 0.212 301 A C 2.429 180.009 177.584 -0.006 0.000 1.208 301 A CA 1.544 53.601 52.037 0.033 0.000 0.609 301 A CB -0.768 18.219 19.000 -0.021 0.000 0.860 301 A HN 0.244 nan 8.150 nan 0.000 0.448 302 A N 1.321 124.099 122.820 -0.071 0.000 1.986 302 A HA -0.242 4.079 4.320 0.002 0.000 0.220 302 A C 2.048 179.562 177.584 -0.117 0.000 1.171 302 A CA 2.165 54.146 52.037 -0.094 0.000 0.640 302 A CB -0.729 18.218 19.000 -0.087 0.000 0.811 302 A HN 0.714 nan 8.150 nan 0.000 0.451 303 K N -1.616 118.660 120.400 -0.208 0.000 2.286 303 K HA -0.188 4.133 4.320 0.002 0.000 0.203 303 K C 1.087 177.469 176.600 -0.364 0.000 1.045 303 K CA 1.865 57.949 56.287 -0.339 0.000 0.935 303 K CB -0.467 31.723 32.500 -0.517 0.000 0.737 303 K HN 0.644 nan 8.250 nan 0.000 0.460 304 Y N 0.928 121.177 120.300 -0.084 0.000 2.467 304 Y HA 0.206 4.757 4.550 0.002 0.000 0.250 304 Y C 0.359 176.195 175.900 -0.106 0.000 1.155 304 Y CA -0.854 57.184 58.100 -0.103 0.000 1.249 304 Y CB 1.205 39.577 38.460 -0.146 0.000 1.146 304 Y HN -0.220 nan 8.280 nan 0.000 0.524 305 V N 0.759 120.693 119.914 0.033 0.000 2.364 305 V HA 0.037 4.158 4.120 0.002 0.000 0.272 305 V C 0.570 176.671 176.094 0.011 0.000 1.036 305 V CA -0.293 61.998 62.300 -0.015 0.000 0.880 305 V CB 1.041 32.824 31.823 -0.067 0.000 0.991 305 V HN 0.331 nan 8.190 nan 0.000 0.460 306 H N 3.702 122.721 119.070 -0.085 0.000 2.520 306 H HA 0.444 5.000 4.556 0.002 0.000 0.279 306 H C 0.701 175.998 175.328 -0.051 0.000 0.990 306 H CA 0.909 56.918 56.048 -0.065 0.000 1.288 306 H CB 0.656 30.365 29.762 -0.087 0.000 1.446 306 H HN 0.753 nan 8.280 nan 0.000 0.538 307 G N -0.478 108.238 108.800 -0.139 0.000 2.660 307 G HA2 0.445 4.406 3.960 0.002 0.000 0.290 307 G HA3 0.445 4.406 3.960 0.002 0.000 0.290 307 G C -1.641 173.201 174.900 -0.097 0.000 1.432 307 G CA -0.792 44.213 45.100 -0.158 0.000 0.807 307 G HN 0.142 nan 8.290 nan 0.000 0.485 308 I N 1.436 121.969 120.570 -0.060 0.000 2.355 308 I HA 0.520 4.691 4.170 0.002 0.000 0.288 308 I C 0.644 176.748 176.117 -0.021 0.000 0.999 308 I CA -0.659 60.608 61.300 -0.055 0.000 1.163 308 I CB 1.836 39.809 38.000 -0.045 0.000 1.316 308 I HN 0.609 nan 8.210 nan 0.000 0.454 309 A N 7.002 129.797 122.820 -0.042 0.000 2.366 309 A HA 0.666 4.987 4.320 0.002 0.000 0.272 309 A C -0.141 177.421 177.584 -0.036 0.000 1.135 309 A CA -0.383 51.663 52.037 0.015 0.000 0.804 309 A CB 0.558 19.557 19.000 -0.002 0.000 1.064 309 A HN 0.610 nan 8.150 nan 0.000 0.499 310 V N 0.940 120.850 119.914 -0.006 0.000 2.919 310 V HA 0.622 4.743 4.120 0.002 0.000 0.316 310 V C -0.366 175.794 176.094 0.109 0.000 1.077 310 V CA -0.817 61.479 62.300 -0.006 0.000 0.977 310 V CB 1.446 33.269 31.823 0.001 0.000 1.039 310 V HN 0.888 nan 8.190 nan 0.000 0.441 311 H N 1.639 120.639 119.070 -0.115 0.000 2.472 311 H HA 0.398 4.955 4.556 0.002 0.000 0.338 311 H C -1.263 174.135 175.328 0.117 0.000 1.133 311 H CA -0.552 55.443 56.048 -0.087 0.000 1.216 311 H CB 1.599 31.288 29.762 -0.121 0.000 1.497 311 H HN 0.670 nan 8.280 nan 0.000 0.500 312 W N 2.837 124.179 121.300 0.070 0.000 2.316 312 W HA 0.121 4.782 4.660 0.001 0.000 0.321 312 W C -0.003 176.635 176.519 0.198 0.000 1.203 312 W CA -0.311 57.073 57.345 0.066 0.000 1.214 312 W CB 0.200 29.651 29.460 -0.015 0.000 1.169 312 W HN 0.731 nan 8.180 nan 0.000 0.561 313 Y N 0.131 120.580 120.300 0.249 0.000 3.166 313 Y HA -0.002 4.549 4.550 0.002 0.000 0.152 313 Y C 1.632 177.744 175.900 0.354 0.000 0.984 313 Y CA 0.652 58.894 58.100 0.237 0.000 1.848 313 Y CB -0.374 38.197 38.460 0.185 0.000 1.348 313 Y HN 0.122 nan 8.280 nan 0.000 0.270 314 L N -0.508 120.933 121.223 0.363 0.000 4.235 314 L HA -0.388 3.953 4.340 0.002 0.000 0.385 314 L C 0.676 177.414 176.870 -0.220 0.000 0.733 314 L CA 1.616 56.406 54.840 -0.083 0.000 2.629 314 L CB -1.529 40.566 42.059 0.059 0.000 1.001 314 L HN 0.345 nan 8.230 nan 0.000 0.662 315 D N 0.618 121.017 120.400 -0.002 0.000 2.178 315 D HA -0.114 4.527 4.640 0.002 0.000 0.201 315 D C 1.833 178.097 176.300 -0.060 0.000 0.980 315 D CA 1.789 55.770 54.000 -0.031 0.000 0.842 315 D CB -0.270 40.523 40.800 -0.011 0.000 0.948 315 D HN 0.704 nan 8.370 nan 0.000 0.472 316 F N 0.032 119.970 119.950 -0.019 0.000 2.307 316 F HA -0.056 4.472 4.527 0.001 0.000 0.301 316 F C 1.756 177.557 175.800 0.001 0.000 1.076 316 F CA 0.725 58.718 58.000 -0.013 0.000 1.383 316 F CB -0.789 38.202 39.000 -0.014 0.000 1.055 316 F HN -0.083 nan 8.300 nan 0.000 0.526 317 L N 0.216 121.062 121.223 -0.627 0.000 2.418 317 L HA 0.310 4.651 4.340 0.002 0.000 0.218 317 L C 0.721 177.479 176.870 -0.188 0.000 1.125 317 L CA 0.371 54.953 54.840 -0.430 0.000 0.835 317 L CB -0.444 41.284 42.059 -0.552 0.000 0.953 317 L HN 0.334 nan 8.230 nan 0.000 0.454 318 A N -0.258 122.473 122.820 -0.148 0.000 2.485 318 A HA 0.578 4.899 4.320 0.002 0.000 0.285 318 A C -2.681 174.854 177.584 -0.082 0.000 1.045 318 A CA -1.018 50.962 52.037 -0.095 0.000 0.792 318 A CB 0.766 19.710 19.000 -0.093 0.000 1.307 318 A HN -0.202 nan 8.150 nan 0.000 0.406 319 P HA 0.226 nan 4.420 nan 0.000 0.265 319 P C 1.200 178.398 177.300 -0.169 0.000 1.193 319 P CA 0.692 63.734 63.100 -0.095 0.000 0.765 319 P CB 0.990 32.645 31.700 -0.076 0.000 0.823 320 A N 4.614 127.285 122.820 -0.249 0.000 1.892 320 A HA -0.275 4.046 4.320 0.002 0.000 0.218 320 A C 2.092 179.263 177.584 -0.688 0.000 1.188 320 A CA 1.943 53.708 52.037 -0.454 0.000 0.631 320 A CB -1.116 17.547 19.000 -0.561 0.000 0.822 320 A HN 0.587 nan 8.150 nan 0.000 0.447 321 K N -0.537 119.433 120.400 -0.716 0.000 2.063 321 K HA -0.121 4.200 4.320 0.002 0.000 0.208 321 K C 2.008 178.499 176.600 -0.182 0.000 1.048 321 K CA 1.322 57.321 56.287 -0.481 0.000 0.928 321 K CB -0.297 32.100 32.500 -0.172 0.000 0.713 321 K HN 0.413 nan 8.250 nan 0.000 0.442 322 A N 0.185 122.925 122.820 -0.134 0.000 2.067 322 A HA -0.064 4.257 4.320 0.002 0.000 0.217 322 A C 1.871 179.439 177.584 -0.028 0.000 1.156 322 A CA 1.680 53.686 52.037 -0.053 0.000 0.683 322 A CB -0.340 18.636 19.000 -0.041 0.000 0.808 322 A HN 0.625 nan 8.150 nan 0.000 0.455 323 T N -2.588 111.932 114.554 -0.057 0.000 3.480 323 T HA 0.190 4.541 4.350 0.002 0.000 0.229 323 T C 1.812 176.523 174.700 0.018 0.000 0.944 323 T CA 0.588 62.678 62.100 -0.016 0.000 1.388 323 T CB -0.768 68.078 68.868 -0.038 0.000 1.180 323 T HN 0.113 nan 8.240 nan 0.000 0.414 324 L N 1.475 122.694 121.223 -0.007 0.000 2.012 324 L HA 0.100 4.441 4.340 0.002 0.000 0.210 324 L C 3.157 180.147 176.870 0.200 0.000 1.073 324 L CA 1.781 56.673 54.840 0.087 0.000 0.748 324 L CB -1.283 40.828 42.059 0.087 0.000 0.891 324 L HN 0.583 nan 8.230 nan 0.000 0.431 325 G N -0.354 108.525 108.800 0.132 0.000 2.404 325 G HA2 -0.298 3.663 3.960 0.002 0.000 0.215 325 G HA3 -0.298 3.663 3.960 0.002 0.000 0.215 325 G C 1.490 176.516 174.900 0.210 0.000 1.174 325 G CA 0.835 46.124 45.100 0.315 0.000 0.780 325 G HN 0.316 nan 8.290 nan 0.000 0.537 326 E N 0.408 120.674 120.200 0.111 0.000 2.106 326 E HA -0.058 4.293 4.350 0.002 0.000 0.192 326 E C 2.613 179.268 176.600 0.090 0.000 0.984 326 E CA 1.561 58.009 56.400 0.080 0.000 0.806 326 E CB -0.542 29.190 29.700 0.053 0.000 0.750 326 E HN 0.331 nan 8.360 nan 0.000 0.458 327 T N -0.034 114.603 114.554 0.139 0.000 2.737 327 T HA -0.166 4.185 4.350 0.002 0.000 0.265 327 T C 1.628 176.441 174.700 0.188 0.000 1.038 327 T CA 1.302 63.526 62.100 0.207 0.000 1.144 327 T CB -0.525 68.457 68.868 0.190 0.000 0.866 327 T HN 0.366 nan 8.240 nan 0.000 0.434 328 H N 1.353 120.448 119.070 0.042 0.000 2.319 328 H HA -0.070 4.487 4.556 0.002 0.000 0.297 328 H C 2.691 177.948 175.328 -0.118 0.000 1.097 328 H CA 1.803 57.791 56.048 -0.099 0.000 1.285 328 H CB -0.050 29.454 29.762 -0.430 0.000 1.368 328 H HN 0.209 nan 8.280 nan 0.000 0.495 329 R N 0.098 120.537 120.500 -0.101 0.000 2.094 329 R HA -0.157 4.184 4.340 0.002 0.000 0.239 329 R C 2.802 178.942 176.300 -0.267 0.000 1.137 329 R CA 1.827 57.838 56.100 -0.147 0.000 0.943 329 R CB -0.183 30.087 30.300 -0.050 0.000 0.850 329 R HN 0.304 nan 8.270 nan 0.000 0.433 330 L N -0.970 120.071 121.223 -0.303 0.000 2.093 330 L HA -0.066 4.275 4.340 0.002 0.000 0.208 330 L C 0.318 176.543 176.870 -1.074 0.000 1.085 330 L CA 0.902 55.334 54.840 -0.681 0.000 0.755 330 L CB 0.049 41.663 42.059 -0.743 0.000 0.904 330 L HN 0.091 nan 8.230 nan 0.000 0.435 331 F N -0.725 119.145 119.950 -0.134 0.000 2.660 331 F HA 0.309 4.837 4.527 0.002 0.000 0.352 331 F C -1.727 173.931 175.800 -0.236 0.000 1.257 331 F CA -1.752 56.164 58.000 -0.140 0.000 1.200 331 F CB 0.384 39.334 39.000 -0.083 0.000 1.473 331 F HN -0.196 nan 8.300 nan 0.000 0.561 332 P HA -0.077 nan 4.420 nan 0.000 0.226 332 P C 0.366 177.567 177.300 -0.164 0.000 1.153 332 P CA 1.136 63.920 63.100 -0.526 0.000 0.777 332 P CB 0.442 31.879 31.700 -0.439 0.000 0.794 333 N N -0.700 117.974 118.700 -0.044 0.000 2.230 333 N HA 0.052 4.793 4.740 0.002 0.000 0.202 333 N C -0.149 175.364 175.510 0.006 0.000 1.119 333 N CA 0.404 53.458 53.050 0.006 0.000 0.851 333 N CB 0.337 38.829 38.487 0.008 0.000 0.990 333 N HN 0.068 nan 8.380 nan 0.000 0.497 334 T N 2.474 117.041 114.554 0.021 0.000 2.801 334 T HA 0.311 4.662 4.350 0.002 0.000 0.306 334 T C 0.621 175.320 174.700 -0.002 0.000 1.020 334 T CA -0.747 61.338 62.100 -0.026 0.000 0.948 334 T CB 0.721 69.573 68.868 -0.028 0.000 0.962 334 T HN 0.100 nan 8.240 nan 0.000 0.465 335 M N 3.183 122.739 119.600 -0.073 0.000 2.252 335 M HA 0.383 4.863 4.480 0.002 0.000 0.333 335 M C -0.887 175.425 176.300 0.019 0.000 1.111 335 M CA 0.271 55.567 55.300 -0.007 0.000 1.140 335 M CB -0.298 32.279 32.600 -0.038 0.000 1.538 335 M HN 0.344 nan 8.290 nan 0.000 0.448 336 L N 3.104 124.362 121.223 0.057 0.000 2.317 336 L HA 0.694 5.035 4.340 0.002 0.000 0.281 336 L C -1.061 175.811 176.870 0.002 0.000 1.024 336 L CA -0.298 54.564 54.840 0.038 0.000 0.810 336 L CB 1.205 43.294 42.059 0.049 0.000 1.240 336 L HN 0.801 nan 8.230 nan 0.000 0.427 337 F N 2.200 122.038 119.950 -0.187 0.000 2.557 337 F HA 0.661 5.189 4.527 0.001 0.000 0.316 337 F C -0.210 175.389 175.800 -0.334 0.000 1.141 337 F CA -0.743 57.083 58.000 -0.289 0.000 0.922 337 F CB 1.526 40.462 39.000 -0.105 0.000 1.194 337 F HN 0.451 nan 8.300 nan 0.000 0.443 338 A N 3.853 126.039 122.820 -1.056 0.000 2.437 338 A HA 0.397 4.718 4.320 0.002 0.000 0.303 338 A C 0.781 177.952 177.584 -0.687 0.000 1.324 338 A CA 0.340 51.919 52.037 -0.763 0.000 0.983 338 A CB -0.348 18.144 19.000 -0.847 0.000 1.142 338 A HN 0.962 nan 8.150 nan 0.000 0.541 339 S N 1.491 117.081 115.700 -0.183 0.000 2.470 339 S HA 0.057 4.528 4.470 0.002 0.000 0.225 339 S C 0.524 174.979 174.600 -0.241 0.000 1.006 339 S CA 0.725 58.937 58.200 0.019 0.000 0.934 339 S CB 0.060 63.370 63.200 0.184 0.000 0.778 339 S HN 0.737 nan 8.310 nan 0.000 0.517 340 E N 0.808 120.699 120.200 -0.514 0.000 2.580 340 E HA 0.553 4.904 4.350 0.002 0.000 0.248 340 E C -1.273 174.923 176.600 -0.673 0.000 1.018 340 E CA -0.381 55.601 56.400 -0.698 0.000 0.775 340 E CB 1.166 30.061 29.700 -1.342 0.000 1.378 340 E HN 0.399 nan 8.360 nan 0.000 0.401 341 A N 3.580 125.957 122.820 -0.738 0.000 3.078 341 A HA 0.351 4.672 4.320 0.002 0.000 0.279 341 A C -0.545 176.556 177.584 -0.805 0.000 1.594 341 A CA -0.408 50.752 52.037 -1.461 0.000 1.301 341 A CB -0.282 17.829 19.000 -1.482 0.000 1.162 341 A HN 0.535 nan 8.150 nan 0.000 0.585 342 C N 2.165 121.311 119.300 -0.256 0.000 2.782 342 C HA 0.744 5.205 4.460 0.002 0.000 0.328 342 C C -0.388 174.787 174.990 0.308 0.000 1.145 342 C CA -0.149 58.938 59.018 0.114 0.000 1.358 342 C CB 0.794 28.692 27.740 0.263 0.000 1.841 342 C HN 1.132 nan 8.230 nan 0.000 0.477 343 V N 3.161 123.213 119.914 0.230 0.000 2.994 343 V HA 1.025 5.146 4.120 0.002 0.000 0.318 343 V C 0.657 176.752 176.094 0.001 0.000 1.085 343 V CA 0.350 62.667 62.300 0.029 0.000 0.998 343 V CB 1.289 33.112 31.823 0.000 0.000 1.063 343 V HN 2.309 nan 8.190 nan 0.000 0.447 344 G N 0.786 109.384 108.800 -0.336 0.000 2.157 344 G HA2 -0.140 3.820 3.960 0.002 0.000 0.118 344 G HA3 -0.140 3.820 3.960 0.002 0.000 0.118 344 G C 0.197 174.925 174.900 -0.286 0.000 1.032 344 G CA 0.094 44.867 45.100 -0.544 0.000 0.697 344 G HN 1.566 nan 8.290 nan 0.000 0.495 345 S N 0.559 116.174 115.700 -0.142 0.000 2.571 345 S HA 0.277 4.748 4.470 0.002 0.000 0.298 345 S C 1.004 175.448 174.600 -0.259 0.000 1.280 345 S CA 0.379 58.507 58.200 -0.122 0.000 1.052 345 S CB 0.301 63.533 63.200 0.054 0.000 0.799 345 S HN 0.373 nan 8.310 nan 0.000 0.501 346 K N 4.609 124.720 120.400 -0.483 0.000 2.270 346 K HA 0.100 4.421 4.320 0.002 0.000 0.276 346 K C 1.242 177.433 176.600 -0.681 0.000 1.023 346 K CA -0.185 55.587 56.287 -0.859 0.000 0.955 346 K CB 0.202 31.590 32.500 -1.854 0.000 0.975 346 K HN 0.786 nan 8.250 nan 0.000 0.471 347 F N 0.330 120.071 119.950 -0.349 0.000 2.271 347 F HA -0.175 4.353 4.527 0.002 0.000 0.302 347 F C 1.261 177.135 175.800 0.124 0.000 1.063 347 F CA 0.603 58.612 58.000 0.014 0.000 1.362 347 F CB -0.512 38.583 39.000 0.159 0.000 1.060 347 F HN 0.687 nan 8.300 nan 0.000 0.521 348 W N 0.835 121.903 121.300 -0.387 0.000 3.132 348 W HA 0.509 5.170 4.660 0.001 0.000 0.364 348 W C -0.321 176.132 176.519 -0.110 0.000 1.129 348 W CA -0.886 56.295 57.345 -0.274 0.000 1.815 348 W CB -0.824 28.332 29.460 -0.506 0.000 1.099 348 W HN -0.113 nan 8.180 nan 0.000 0.605 349 E N 1.666 121.632 120.200 -0.390 0.000 2.222 349 E HA 0.182 4.533 4.350 0.002 0.000 0.272 349 E C 0.000 176.557 176.600 -0.073 0.000 0.982 349 E CA -0.872 55.394 56.400 -0.222 0.000 0.842 349 E CB 1.309 30.783 29.700 -0.377 0.000 1.144 349 E HN 0.046 nan 8.360 nan 0.000 0.397 350 Q N 0.662 120.451 119.800 -0.018 0.000 2.479 350 Q HA -0.015 4.326 4.340 0.002 0.000 0.267 350 Q C 0.984 176.976 176.000 -0.014 0.000 1.071 350 Q CA 0.095 55.899 55.803 0.001 0.000 0.935 350 Q CB 0.657 29.409 28.738 0.022 0.000 1.295 350 Q HN 0.544 nan 8.270 nan 0.000 0.476 351 S N 0.112 115.823 115.700 0.019 0.000 2.368 351 S HA -0.116 4.355 4.470 0.002 0.000 0.226 351 S C 0.588 175.202 174.600 0.023 0.000 1.044 351 S CA 0.864 59.095 58.200 0.052 0.000 1.062 351 S CB 0.230 63.463 63.200 0.055 0.000 0.931 351 S HN 0.415 nan 8.310 nan 0.000 0.440 352 V N 2.146 122.052 119.914 -0.014 0.000 2.409 352 V HA 0.432 4.553 4.120 0.002 0.000 0.291 352 V C -0.380 175.632 176.094 -0.136 0.000 1.020 352 V CA -0.591 61.680 62.300 -0.048 0.000 0.848 352 V CB 1.510 33.321 31.823 -0.020 0.000 0.990 352 V HN 0.214 nan 8.190 nan 0.000 0.430 353 R N 4.976 125.326 120.500 -0.250 0.000 2.337 353 R HA 0.535 4.876 4.340 0.002 0.000 0.319 353 R C -1.092 175.014 176.300 -0.323 0.000 0.954 353 R CA -0.677 55.086 56.100 -0.561 0.000 0.840 353 R CB 1.685 31.344 30.300 -1.067 0.000 1.164 353 R HN 0.593 nan 8.270 nan 0.000 0.472 354 L N 2.826 123.980 121.223 -0.115 0.000 2.485 354 L HA 0.187 4.528 4.340 0.002 0.000 0.279 354 L C 1.148 178.122 176.870 0.173 0.000 1.124 354 L CA 0.678 55.464 54.840 -0.089 0.000 0.888 354 L CB 0.760 42.474 42.059 -0.575 0.000 1.217 354 L HN 1.067 nan 8.230 nan 0.000 0.464 355 G N 1.824 110.705 108.800 0.135 0.000 2.134 355 G HA2 -0.253 3.708 3.960 0.002 0.000 0.209 355 G HA3 -0.253 3.708 3.960 0.002 0.000 0.209 355 G C 0.283 175.325 174.900 0.238 0.000 0.993 355 G CA 0.055 45.294 45.100 0.230 0.000 0.669 355 G HN 0.614 nan 8.290 nan 0.000 0.519 356 S N 0.083 115.851 115.700 0.113 0.000 2.443 356 S HA 0.257 4.728 4.470 0.002 0.000 0.284 356 S C 1.257 175.942 174.600 0.143 0.000 1.206 356 S CA 0.414 58.663 58.200 0.082 0.000 1.074 356 S CB -0.061 63.082 63.200 -0.095 0.000 0.963 356 S HN 0.480 nan 8.310 nan 0.000 0.501 357 W N 4.701 126.015 121.300 0.024 0.000 2.436 357 W HA -0.123 4.537 4.660 0.002 0.000 0.284 357 W C 1.360 177.861 176.519 -0.030 0.000 1.225 357 W CA 1.635 58.995 57.345 0.025 0.000 1.271 357 W CB -0.403 29.068 29.460 0.018 0.000 1.114 357 W HN 0.937 nan 8.180 nan 0.000 0.559 358 D N 0.185 120.611 120.400 0.044 0.000 2.104 358 D HA -0.231 4.410 4.640 0.002 0.000 0.194 358 D C 2.165 178.388 176.300 -0.129 0.000 0.994 358 D CA 1.969 55.950 54.000 -0.032 0.000 0.830 358 D CB -0.142 40.669 40.800 0.018 0.000 0.959 358 D HN -0.015 nan 8.370 nan 0.000 0.452 359 R N -0.374 120.061 120.500 -0.109 0.000 2.105 359 R HA -0.012 4.329 4.340 0.002 0.000 0.239 359 R C 2.459 178.687 176.300 -0.119 0.000 1.135 359 R CA 1.357 57.418 56.100 -0.066 0.000 0.967 359 R CB -0.554 29.724 30.300 -0.038 0.000 0.861 359 R HN 0.299 nan 8.270 nan 0.000 0.442 360 G N 0.623 109.196 108.800 -0.377 0.000 2.453 360 G HA2 -0.294 3.667 3.960 0.002 0.000 0.215 360 G HA3 -0.294 3.667 3.960 0.002 0.000 0.215 360 G C 1.390 175.668 174.900 -1.037 0.000 1.201 360 G CA 0.909 45.549 45.100 -0.766 0.000 0.784 360 G HN 0.161 nan 8.290 nan 0.000 0.545 361 M N 0.064 118.996 119.600 -1.114 0.000 2.108 361 M HA -0.229 4.252 4.480 0.002 0.000 0.257 361 M C 2.786 179.008 176.300 -0.131 0.000 1.071 361 M CA 1.746 56.769 55.300 -0.463 0.000 1.093 361 M CB -0.452 32.024 32.600 -0.206 0.000 1.345 361 M HN 0.332 nan 8.290 nan 0.000 0.403 362 Q N -0.990 118.752 119.800 -0.096 0.000 2.135 362 Q HA -0.213 4.128 4.340 0.002 0.000 0.204 362 Q C 1.842 177.833 176.000 -0.014 0.000 0.981 362 Q CA 1.722 57.515 55.803 -0.017 0.000 0.856 362 Q CB -0.177 28.560 28.738 -0.003 0.000 0.902 362 Q HN 0.521 nan 8.270 nan 0.000 0.425 363 Y N 0.390 120.643 120.300 -0.078 0.000 2.133 363 Y HA -0.238 4.313 4.550 0.002 0.000 0.287 363 Y C 2.884 178.767 175.900 -0.028 0.000 1.134 363 Y CA 1.615 59.743 58.100 0.047 0.000 1.133 363 Y CB -0.391 38.170 38.460 0.168 0.000 0.987 363 Y HN 0.180 nan 8.280 nan 0.000 0.502 364 S N -1.048 114.794 115.700 0.237 0.000 2.368 364 S HA -0.288 4.183 4.470 0.002 0.000 0.225 364 S C 2.029 176.685 174.600 0.093 0.000 1.030 364 S CA 1.546 59.893 58.200 0.245 0.000 0.999 364 S CB -1.062 62.509 63.200 0.619 0.000 0.844 364 S HN 0.627 nan 8.310 nan 0.000 0.459 365 H N 1.371 120.445 119.070 0.006 0.000 2.352 365 H HA -0.088 4.468 4.556 0.002 0.000 0.299 365 H C 2.378 177.601 175.328 -0.175 0.000 1.097 365 H CA 1.830 57.851 56.048 -0.046 0.000 1.311 365 H CB -0.395 29.333 29.762 -0.056 0.000 1.377 365 H HN 0.580 nan 8.280 nan 0.000 0.504 366 S N -0.213 115.214 115.700 -0.455 0.000 2.428 366 S HA -0.038 4.433 4.470 0.002 0.000 0.230 366 S C 2.300 176.567 174.600 -0.554 0.000 1.014 366 S CA 0.734 58.466 58.200 -0.780 0.000 0.957 366 S CB -0.258 62.178 63.200 -1.272 0.000 0.784 366 S HN 0.424 nan 8.310 nan 0.000 0.499 367 I N 1.044 121.360 120.570 -0.424 0.000 2.286 367 I HA -0.089 4.082 4.170 0.002 0.000 0.245 367 I C 2.204 178.127 176.117 -0.323 0.000 1.104 367 I CA 1.062 62.084 61.300 -0.463 0.000 1.397 367 I CB -0.280 37.029 38.000 -1.151 0.000 1.072 367 I HN 0.311 nan 8.210 nan 0.000 0.417 368 I N 0.251 120.662 120.570 -0.265 0.000 2.127 368 I HA -0.322 3.849 4.170 0.002 0.000 0.241 368 I C 2.515 178.574 176.117 -0.097 0.000 1.075 368 I CA 1.743 62.998 61.300 -0.074 0.000 1.334 368 I CB -0.680 37.345 38.000 0.042 0.000 1.040 368 I HN 0.232 nan 8.210 nan 0.000 0.405 369 T N 0.345 114.774 114.554 -0.207 0.000 2.699 369 T HA -0.206 4.144 4.350 0.002 0.000 0.268 369 T C 1.649 176.386 174.700 0.061 0.000 1.036 369 T CA 1.740 63.773 62.100 -0.110 0.000 1.147 369 T CB -0.584 68.145 68.868 -0.231 0.000 0.862 369 T HN 0.415 nan 8.240 nan 0.000 0.446 370 N N 0.675 119.441 118.700 0.110 0.000 2.084 370 N HA -0.016 4.725 4.740 0.002 0.000 0.190 370 N C 1.908 177.574 175.510 0.261 0.000 1.030 370 N CA 0.938 54.165 53.050 0.296 0.000 0.849 370 N CB -0.273 38.618 38.487 0.673 0.000 1.012 370 N HN 0.280 nan 8.380 nan 0.000 0.423 371 L N 1.145 122.534 121.223 0.277 0.000 2.081 371 L HA -0.185 4.156 4.340 0.002 0.000 0.212 371 L C 2.018 178.821 176.870 -0.111 0.000 1.080 371 L CA 1.071 56.003 54.840 0.154 0.000 0.754 371 L CB -0.314 41.831 42.059 0.142 0.000 0.893 371 L HN 0.236 nan 8.230 nan 0.000 0.433 372 L N -2.064 119.025 121.223 -0.224 0.000 2.478 372 L HA -0.132 4.209 4.340 0.002 0.000 0.223 372 L C 0.624 176.927 176.870 -0.945 0.000 1.140 372 L CA 0.503 55.020 54.840 -0.538 0.000 0.842 372 L CB -0.160 41.605 42.059 -0.490 0.000 0.953 372 L HN 0.217 nan 8.230 nan 0.000 0.452 373 Y N -0.731 119.354 120.300 -0.359 0.000 2.722 373 Y HA 0.244 4.795 4.550 0.002 0.000 0.314 373 Y C 0.416 176.114 175.900 -0.337 0.000 1.008 373 Y CA -0.663 57.171 58.100 -0.442 0.000 1.294 373 Y CB -0.397 37.995 38.460 -0.114 0.000 1.231 373 Y HN 0.173 nan 8.280 nan 0.000 0.558 374 H N -2.984 116.021 119.070 -0.109 0.000 3.428 374 H HA -0.147 4.410 4.556 0.002 0.000 0.204 374 H C -0.018 175.269 175.328 -0.069 0.000 1.078 374 H CA 0.511 56.464 56.048 -0.159 0.000 1.183 374 H CB -1.688 27.839 29.762 -0.391 0.000 1.132 374 H HN 0.122 nan 8.280 nan 0.000 0.323 375 V N 2.721 122.648 119.914 0.023 0.000 2.555 375 V HA 0.081 4.202 4.120 0.002 0.000 0.286 375 V C 1.952 177.886 176.094 -0.266 0.000 1.044 375 V CA 0.634 62.837 62.300 -0.161 0.000 1.026 375 V CB 1.583 33.259 31.823 -0.245 0.000 0.981 375 V HN 0.341 nan 8.190 nan 0.000 0.480 376 V N 1.653 121.363 119.914 -0.339 0.000 3.644 376 V HA 0.683 4.803 4.120 0.002 0.000 0.267 376 V C 0.686 176.557 176.094 -0.371 0.000 1.277 376 V CA 0.865 63.058 62.300 -0.178 0.000 1.096 376 V CB -0.018 31.816 31.823 0.018 0.000 0.828 376 V HN 0.971 nan 8.190 nan 0.000 0.446 377 G N -1.606 106.563 108.800 -1.051 0.000 2.632 377 G HA2 0.479 4.440 3.960 0.002 0.000 0.292 377 G HA3 0.479 4.440 3.960 0.002 0.000 0.292 377 G C -2.155 171.483 174.900 -2.104 0.000 1.465 377 G CA -0.660 43.763 45.100 -1.129 0.000 0.824 377 G HN 0.156 nan 8.290 nan 0.000 0.509 378 W N 0.461 121.082 121.300 -1.131 0.000 2.957 378 W HA 0.561 5.221 4.660 0.002 0.000 0.336 378 W C -0.926 175.249 176.519 -0.573 0.000 1.087 378 W CA -0.641 56.177 57.345 -0.878 0.000 1.235 378 W CB 2.779 31.912 29.460 -0.545 0.000 1.399 378 W HN 0.524 nan 8.180 nan 0.000 0.480 379 T N 2.936 117.308 114.554 -0.302 0.000 2.864 379 T HA 0.082 4.433 4.350 0.002 0.000 0.310 379 T C -0.184 174.435 174.700 -0.134 0.000 1.040 379 T CA -0.241 61.805 62.100 -0.089 0.000 0.977 379 T CB 0.372 69.329 68.868 0.148 0.000 0.976 379 T HN 0.282 nan 8.240 nan 0.000 0.459 380 D N 2.431 122.792 120.400 -0.064 0.000 2.341 380 D HA 0.023 4.664 4.640 0.002 0.000 0.235 380 D C 0.629 177.039 176.300 0.183 0.000 1.265 380 D CA -0.091 53.947 54.000 0.064 0.000 0.888 380 D CB 0.654 41.592 40.800 0.230 0.000 1.192 380 D HN 0.574 nan 8.370 nan 0.000 0.462 381 W N 1.008 122.298 121.300 -0.017 0.000 1.648 381 W HA 0.071 4.732 4.660 0.001 0.000 0.641 381 W C 0.455 176.938 176.519 -0.059 0.000 1.396 381 W CA -0.724 56.594 57.345 -0.045 0.000 1.284 381 W CB 0.017 29.451 29.460 -0.045 0.000 3.442 381 W HN 0.224 nan 8.180 nan 0.000 0.773 382 N N 2.678 121.133 118.700 -0.409 0.000 2.359 382 N HA -0.096 4.645 4.740 0.002 0.000 0.261 382 N C 0.886 176.301 175.510 -0.159 0.000 1.267 382 N CA 0.527 53.255 53.050 -0.537 0.000 0.864 382 N CB 0.924 38.903 38.487 -0.847 0.000 1.063 382 N HN 0.338 nan 8.380 nan 0.000 0.474 383 L N 1.258 122.429 121.223 -0.088 0.000 2.079 383 L HA -0.132 4.209 4.340 0.002 0.000 0.210 383 L C 1.045 178.008 176.870 0.155 0.000 1.081 383 L CA 1.103 55.955 54.840 0.019 0.000 0.752 383 L CB -0.130 41.928 42.059 -0.002 0.000 0.896 383 L HN 0.598 nan 8.230 nan 0.000 0.433 384 A N -0.930 121.909 122.820 0.030 0.000 2.574 384 A HA 0.737 5.058 4.320 0.002 0.000 0.297 384 A C -1.207 176.355 177.584 -0.036 0.000 1.062 384 A CA -0.469 51.588 52.037 0.032 0.000 0.686 384 A CB 1.450 20.468 19.000 0.029 0.000 1.285 384 A HN -0.008 nan 8.150 nan 0.000 0.403 385 L N 1.215 122.434 121.223 -0.006 0.000 2.327 385 L HA 0.480 4.821 4.340 0.002 0.000 0.258 385 L C -0.096 176.794 176.870 0.033 0.000 1.024 385 L CA -1.192 53.646 54.840 -0.003 0.000 0.825 385 L CB 2.418 44.471 42.059 -0.011 0.000 1.386 385 L HN 1.008 nan 8.230 nan 0.000 0.417 386 N N 0.145 118.872 118.700 0.044 0.000 2.379 386 N HA 0.280 5.021 4.740 0.002 0.000 0.260 386 N C -2.389 173.152 175.510 0.050 0.000 1.254 386 N CA -1.590 51.490 53.050 0.050 0.000 0.958 386 N CB -0.065 38.449 38.487 0.045 0.000 1.208 386 N HN 0.171 nan 8.380 nan 0.000 0.532 387 P HA -0.034 nan 4.420 nan 0.000 0.228 387 P C -0.048 177.265 177.300 0.022 0.000 1.151 387 P CA 1.166 64.283 63.100 0.028 0.000 0.770 387 P CB 0.177 31.896 31.700 0.032 0.000 0.786 388 E N -1.642 118.576 120.200 0.031 0.000 2.474 388 E HA 0.285 4.636 4.350 0.002 0.000 0.195 388 E C 1.254 177.873 176.600 0.032 0.000 1.039 388 E CA 0.349 56.763 56.400 0.024 0.000 0.881 388 E CB -0.623 29.088 29.700 0.018 0.000 0.970 388 E HN 0.057 nan 8.360 nan 0.000 0.486 389 G N -0.076 108.758 108.800 0.056 0.000 2.182 389 G HA2 -0.179 3.782 3.960 0.002 0.000 0.248 389 G HA3 -0.179 3.782 3.960 0.002 0.000 0.248 389 G C 0.452 175.461 174.900 0.182 0.000 1.042 389 G CA 0.025 45.191 45.100 0.109 0.000 0.775 389 G HN 0.543 nan 8.290 nan 0.000 0.501 390 G N -0.833 108.041 108.800 0.124 0.000 3.176 390 G HA2 0.877 4.838 3.960 0.002 0.000 0.272 390 G HA3 0.877 4.838 3.960 0.002 0.000 0.272 390 G C -2.935 172.034 174.900 0.115 0.000 1.349 390 G CA -0.734 44.435 45.100 0.115 0.000 0.953 390 G HN 0.218 nan 8.290 nan 0.000 0.559 391 P HA 0.162 nan 4.420 nan 0.000 0.275 391 P C -1.106 176.184 177.300 -0.017 0.000 1.227 391 P CA -0.256 62.867 63.100 0.037 0.000 0.781 391 P CB 1.311 33.034 31.700 0.039 0.000 0.906 392 N N 3.012 121.616 118.700 -0.160 0.000 2.352 392 N HA 0.096 4.837 4.740 0.002 0.000 0.291 392 N C 0.892 176.269 175.510 -0.221 0.000 1.040 392 N CA -0.652 52.146 53.050 -0.420 0.000 0.864 392 N CB 1.232 39.243 38.487 -0.792 0.000 1.440 392 N HN 0.529 nan 8.380 nan 0.000 0.483 393 W N 4.471 125.622 121.300 -0.249 0.000 2.825 393 W HA 0.104 4.764 4.660 0.001 0.000 0.243 393 W C -0.470 175.985 176.519 -0.107 0.000 1.293 393 W CA 0.070 57.331 57.345 -0.140 0.000 1.403 393 W CB -0.557 28.845 29.460 -0.098 0.000 1.134 393 W HN 0.206 nan 8.180 nan 0.000 0.666 394 V N 0.933 120.375 119.914 -0.786 0.000 3.001 394 V HA 0.361 4.482 4.120 0.002 0.000 0.228 394 V C 0.506 176.395 176.094 -0.341 0.000 1.204 394 V CA 0.549 62.447 62.300 -0.670 0.000 1.247 394 V CB -0.122 31.293 31.823 -0.680 0.000 1.093 394 V HN -0.097 nan 8.190 nan 0.000 0.504 395 R N 0.816 121.120 120.500 -0.327 0.000 2.736 395 R HA 0.259 4.600 4.340 0.002 0.000 0.250 395 R C -1.849 174.226 176.300 -0.374 0.000 1.098 395 R CA -0.620 55.285 56.100 -0.326 0.000 0.978 395 R CB 1.224 31.318 30.300 -0.344 0.000 1.263 395 R HN 0.336 nan 8.270 nan 0.000 0.460 396 N N 2.590 121.073 118.700 -0.362 0.000 2.442 396 N HA 0.192 4.933 4.740 0.002 0.000 0.265 396 N C -0.224 175.121 175.510 -0.274 0.000 1.138 396 N CA 0.074 53.017 53.050 -0.179 0.000 0.956 396 N CB 0.357 38.792 38.487 -0.086 0.000 1.067 396 N HN 0.437 nan 8.380 nan 0.000 0.474 397 F N -0.347 119.744 119.950 0.235 0.000 2.834 397 F HA 0.149 4.677 4.527 0.001 0.000 0.332 397 F C 0.447 176.408 175.800 0.269 0.000 1.056 397 F CA -0.304 57.847 58.000 0.253 0.000 1.178 397 F CB 0.492 39.695 39.000 0.337 0.000 1.037 397 F HN 0.277 nan 8.300 nan 0.000 0.580 398 V N -2.453 117.756 119.914 0.492 0.000 2.815 398 V HA 0.599 4.720 4.120 0.002 0.000 0.314 398 V C -0.516 175.729 176.094 0.251 0.000 1.064 398 V CA -0.811 61.734 62.300 0.409 0.000 0.952 398 V CB 2.208 34.350 31.823 0.531 0.000 1.020 398 V HN -0.148 nan 8.190 nan 0.000 0.439 399 D N 0.770 121.289 120.400 0.199 0.000 2.466 399 D HA 0.667 5.308 4.640 0.002 0.000 0.262 399 D C -0.534 175.834 176.300 0.112 0.000 1.177 399 D CA 0.021 54.092 54.000 0.118 0.000 1.035 399 D CB 2.129 42.979 40.800 0.083 0.000 1.105 399 D HN 0.896 nan 8.370 nan 0.000 0.551 400 S N -0.938 114.805 115.700 0.072 0.000 2.541 400 S HA 0.447 4.918 4.470 0.002 0.000 0.271 400 S C -2.261 172.389 174.600 0.082 0.000 1.133 400 S CA -1.243 57.001 58.200 0.074 0.000 0.876 400 S CB 1.719 64.934 63.200 0.025 0.000 1.105 400 S HN 0.098 nan 8.310 nan 0.000 0.470 401 P HA 0.104 nan 4.420 nan 0.000 0.219 401 P C -0.351 177.039 177.300 0.150 0.000 1.146 401 P CA 1.169 64.366 63.100 0.163 0.000 0.808 401 P CB 0.077 31.970 31.700 0.321 0.000 0.779 402 I N -0.389 120.264 120.570 0.139 0.000 2.466 402 I HA 0.248 4.419 4.170 0.002 0.000 0.289 402 I C -0.631 175.545 176.117 0.097 0.000 1.026 402 I CA -0.899 60.445 61.300 0.074 0.000 1.078 402 I CB 2.356 40.340 38.000 -0.026 0.000 1.249 402 I HN -0.303 nan 8.210 nan 0.000 0.429 403 I N 7.100 127.754 120.570 0.141 0.000 2.389 403 I HA 0.341 4.512 4.170 0.002 0.000 0.288 403 I C -0.114 176.093 176.117 0.150 0.000 0.999 403 I CA -0.723 60.665 61.300 0.146 0.000 1.129 403 I CB 1.798 39.897 38.000 0.165 0.000 1.288 403 I HN 0.111 nan 8.210 nan 0.000 0.444 404 V N 5.425 125.392 119.914 0.088 0.000 2.407 404 V HA 0.245 4.366 4.120 0.002 0.000 0.278 404 V C 0.055 176.181 176.094 0.053 0.000 1.037 404 V CA -0.505 61.828 62.300 0.056 0.000 0.900 404 V CB 1.825 33.664 31.823 0.026 0.000 0.983 404 V HN 0.589 nan 8.190 nan 0.000 0.459 405 D N 4.405 124.814 120.400 0.016 0.000 2.499 405 D HA 0.222 4.863 4.640 0.002 0.000 0.225 405 D C 1.320 177.637 176.300 0.029 0.000 1.124 405 D CA -0.458 53.569 54.000 0.045 0.000 0.938 405 D CB 0.771 41.616 40.800 0.076 0.000 1.014 405 D HN 0.584 nan 8.370 nan 0.000 0.517 406 I N 1.038 121.629 120.570 0.035 0.000 2.399 406 I HA -0.232 3.939 4.170 0.002 0.000 0.254 406 I C 1.617 177.752 176.117 0.031 0.000 1.146 406 I CA 1.644 62.962 61.300 0.030 0.000 1.412 406 I CB -0.615 37.401 38.000 0.028 0.000 1.076 406 I HN 0.247 nan 8.210 nan 0.000 0.432 407 T N -1.886 112.691 114.554 0.039 0.000 3.072 407 T HA -0.019 4.332 4.350 0.002 0.000 0.266 407 T C 1.512 176.234 174.700 0.036 0.000 1.127 407 T CA 0.935 63.058 62.100 0.039 0.000 1.107 407 T CB -0.203 68.693 68.868 0.047 0.000 0.910 407 T HN 0.527 nan 8.240 nan 0.000 0.513 408 K N 0.014 120.433 120.400 0.033 0.000 2.483 408 K HA 0.157 4.478 4.320 0.002 0.000 0.206 408 K C -0.094 176.511 176.600 0.008 0.000 1.086 408 K CA 0.058 56.360 56.287 0.026 0.000 1.052 408 K CB 0.497 33.021 32.500 0.041 0.000 0.904 408 K HN 0.097 nan 8.250 nan 0.000 0.557 409 D N 2.173 122.582 120.400 0.014 0.000 2.713 409 D HA -0.176 4.465 4.640 0.002 0.000 0.231 409 D C -0.724 175.580 176.300 0.006 0.000 1.173 409 D CA 1.389 55.403 54.000 0.022 0.000 0.628 409 D CB -0.568 40.248 40.800 0.025 0.000 1.033 409 D HN 0.384 nan 8.370 nan 0.000 0.419 410 T N -1.432 113.097 114.554 -0.043 0.000 2.908 410 T HA 0.723 5.074 4.350 0.002 0.000 0.290 410 T C -0.233 174.356 174.700 -0.185 0.000 1.034 410 T CA -0.921 61.074 62.100 -0.176 0.000 1.010 410 T CB 1.444 70.146 68.868 -0.277 0.000 1.068 410 T HN 0.259 nan 8.240 nan 0.000 0.481 411 F N 0.086 119.792 119.950 -0.407 0.000 2.603 411 F HA 0.813 5.341 4.527 0.002 0.000 0.317 411 F C -1.838 173.649 175.800 -0.521 0.000 1.066 411 F CA -1.773 55.963 58.000 -0.439 0.000 0.941 411 F CB 1.300 40.167 39.000 -0.222 0.000 1.291 411 F HN 0.575 nan 8.300 nan 0.000 0.472 412 Y N 0.914 121.278 120.300 0.107 0.000 2.328 412 Y HA 0.474 5.025 4.550 0.002 0.000 0.336 412 Y C -0.533 175.380 175.900 0.021 0.000 0.960 412 Y CA -1.126 56.986 58.100 0.020 0.000 1.134 412 Y CB 1.984 40.459 38.460 0.026 0.000 1.166 412 Y HN 0.448 nan 8.280 nan 0.000 0.464 413 K N 4.035 124.492 120.400 0.095 0.000 2.284 413 K HA 0.198 4.519 4.320 0.002 0.000 0.287 413 K C -0.225 176.501 176.600 0.210 0.000 1.081 413 K CA -0.586 55.650 56.287 -0.086 0.000 0.910 413 K CB 0.687 32.881 32.500 -0.509 0.000 1.088 413 K HN 0.542 nan 8.250 nan 0.000 0.478 414 Q N 2.638 122.560 119.800 0.203 0.000 2.417 414 Q HA 0.048 4.389 4.340 0.002 0.000 0.241 414 Q C -1.665 174.576 176.000 0.402 0.000 1.008 414 Q CA -1.619 54.331 55.803 0.245 0.000 0.901 414 Q CB 0.453 29.273 28.738 0.136 0.000 1.259 414 Q HN 0.316 nan 8.270 nan 0.000 0.489 415 P HA -0.181 nan 4.420 nan 0.000 0.216 415 P C 1.288 178.792 177.300 0.341 0.000 1.150 415 P CA 1.562 64.928 63.100 0.443 0.000 0.843 415 P CB 0.056 31.949 31.700 0.321 0.000 0.787 416 M N -2.483 117.159 119.600 0.070 0.000 2.116 416 M HA -0.249 4.232 4.480 0.002 0.000 0.255 416 M C 1.994 178.302 176.300 0.013 0.000 1.075 416 M CA 1.998 57.223 55.300 -0.126 0.000 1.087 416 M CB -0.894 31.478 32.600 -0.381 0.000 1.340 416 M HN -0.055 nan 8.290 nan 0.000 0.402 417 F N -0.122 119.807 119.950 -0.035 0.000 2.102 417 F HA -0.253 4.275 4.527 0.002 0.000 0.298 417 F C 1.780 177.480 175.800 -0.166 0.000 1.105 417 F CA 1.607 59.511 58.000 -0.161 0.000 1.239 417 F CB -0.382 38.393 39.000 -0.376 0.000 0.991 417 F HN 0.032 nan 8.300 nan 0.000 0.474 418 Y N -0.570 119.906 120.300 0.292 0.000 2.286 418 Y HA -0.150 4.401 4.550 0.002 0.000 0.293 418 Y C 2.773 178.809 175.900 0.227 0.000 1.124 418 Y CA 1.603 59.847 58.100 0.239 0.000 1.178 418 Y CB -1.104 37.583 38.460 0.379 0.000 1.010 418 Y HN 0.140 nan 8.280 nan 0.000 0.536 419 H N -0.138 119.112 119.070 0.300 0.000 2.319 419 H HA -0.188 4.369 4.556 0.002 0.000 0.297 419 H C 2.285 177.817 175.328 0.341 0.000 1.097 419 H CA 1.937 58.144 56.048 0.265 0.000 1.285 419 H CB -0.417 29.404 29.762 0.098 0.000 1.368 419 H HN 0.336 nan 8.280 nan 0.000 0.495 420 L N -0.085 121.312 121.223 0.290 0.000 2.017 420 L HA -0.122 4.219 4.340 0.002 0.000 0.208 420 L C 2.901 179.811 176.870 0.066 0.000 1.073 420 L CA 1.193 56.162 54.840 0.215 0.000 0.745 420 L CB -0.647 41.492 42.059 0.133 0.000 0.894 420 L HN 0.308 nan 8.230 nan 0.000 0.432 421 G N -1.919 106.793 108.800 -0.147 0.000 2.462 421 G HA2 -0.261 3.700 3.960 0.002 0.000 0.220 421 G HA3 -0.261 3.700 3.960 0.002 0.000 0.220 421 G C 1.376 176.134 174.900 -0.237 0.000 1.121 421 G CA 0.405 45.317 45.100 -0.314 0.000 0.758 421 G HN 0.421 nan 8.290 nan 0.000 0.559 422 H N -0.756 118.293 119.070 -0.035 0.000 2.491 422 H HA 0.007 4.564 4.556 0.002 0.000 0.290 422 H C 1.909 177.055 175.328 -0.305 0.000 1.050 422 H CA 1.053 57.060 56.048 -0.067 0.000 1.309 422 H CB 0.103 29.754 29.762 -0.185 0.000 1.392 422 H HN 0.487 nan 8.280 nan 0.000 0.554 423 F N -0.002 119.894 119.950 -0.091 0.000 2.298 423 F HA -0.066 4.462 4.527 0.002 0.000 0.282 423 F C 2.839 178.171 175.800 -0.779 0.000 1.045 423 F CA 0.763 58.525 58.000 -0.397 0.000 1.280 423 F CB -0.590 38.041 39.000 -0.616 0.000 1.114 423 F HN 0.003 nan 8.300 nan 0.000 0.546 424 S N 0.170 115.409 115.700 -0.768 0.000 2.423 424 S HA -0.196 4.275 4.470 0.002 0.000 0.231 424 S C 1.879 176.212 174.600 -0.445 0.000 1.014 424 S CA 1.197 58.919 58.200 -0.796 0.000 0.965 424 S CB -0.540 62.485 63.200 -0.292 0.000 0.785 424 S HN 0.386 nan 8.310 nan 0.000 0.495 425 K N 0.043 120.078 120.400 -0.608 0.000 2.305 425 K HA 0.164 4.485 4.320 0.002 0.000 0.199 425 K C 0.350 176.420 176.600 -0.883 0.000 1.047 425 K CA 0.768 56.508 56.287 -0.912 0.000 0.976 425 K CB -0.012 31.566 32.500 -1.536 0.000 0.765 425 K HN 0.536 nan 8.250 nan 0.000 0.474 426 F N -0.154 119.668 119.950 -0.213 0.000 2.746 426 F HA 0.324 4.852 4.527 0.002 0.000 0.320 426 F C -0.003 175.785 175.800 -0.019 0.000 1.097 426 F CA -0.602 57.337 58.000 -0.102 0.000 1.195 426 F CB 0.981 39.899 39.000 -0.137 0.000 1.056 426 F HN -0.195 nan 8.300 nan 0.000 0.562 427 I N 3.318 123.919 120.570 0.051 0.000 2.621 427 I HA 0.256 4.427 4.170 0.002 0.000 0.276 427 I C -2.387 173.762 176.117 0.054 0.000 1.118 427 I CA -2.014 59.347 61.300 0.101 0.000 1.159 427 I CB 0.475 38.656 38.000 0.301 0.000 1.357 427 I HN -0.226 nan 8.210 nan 0.000 0.513 428 P HA -0.016 nan 4.420 nan 0.000 0.271 428 P C -0.124 177.177 177.300 0.003 0.000 1.233 428 P CA -0.171 62.879 63.100 -0.083 0.000 0.789 428 P CB 0.697 32.282 31.700 -0.192 0.000 0.951 429 E N 0.200 120.411 120.200 0.018 0.000 2.415 429 E HA 0.219 4.570 4.350 0.002 0.000 0.263 429 E C 0.941 177.543 176.600 0.002 0.000 0.995 429 E CA 0.613 57.021 56.400 0.013 0.000 0.915 429 E CB -0.753 28.932 29.700 -0.025 0.000 0.951 429 E HN 0.776 nan 8.360 nan 0.000 0.449 430 G N 3.097 111.911 108.800 0.023 0.000 2.176 430 G HA2 -0.258 3.703 3.960 0.002 0.000 0.232 430 G HA3 -0.258 3.703 3.960 0.002 0.000 0.232 430 G C 0.179 175.104 174.900 0.041 0.000 0.986 430 G CA 0.084 45.201 45.100 0.027 0.000 0.643 430 G HN 0.603 nan 8.290 nan 0.000 0.522 431 S N 0.057 115.787 115.700 0.049 0.000 2.563 431 S HA 0.425 4.896 4.470 0.002 0.000 0.284 431 S C 0.233 174.899 174.600 0.110 0.000 1.331 431 S CA 0.562 58.813 58.200 0.086 0.000 1.047 431 S CB 1.529 64.801 63.200 0.119 0.000 0.859 431 S HN 0.707 nan 8.310 nan 0.000 0.514 432 Q N 1.509 121.374 119.800 0.109 0.000 2.333 432 Q HA 0.359 4.700 4.340 0.002 0.000 0.267 432 Q C -0.528 175.556 176.000 0.140 0.000 1.012 432 Q CA -0.783 55.088 55.803 0.113 0.000 0.824 432 Q CB 1.046 29.828 28.738 0.073 0.000 1.290 432 Q HN 0.568 nan 8.270 nan 0.000 0.449 433 R N 2.730 123.345 120.500 0.191 0.000 2.442 433 R HA 0.299 4.640 4.340 0.002 0.000 0.291 433 R C -0.467 176.012 176.300 0.298 0.000 1.069 433 R CA 0.071 56.311 56.100 0.234 0.000 1.022 433 R CB 0.469 30.910 30.300 0.234 0.000 0.976 433 R HN 0.562 nan 8.270 nan 0.000 0.443 434 V N 0.961 121.020 119.914 0.241 0.000 3.158 434 V HA 0.766 4.887 4.120 0.002 0.000 0.315 434 V C 0.366 176.638 176.094 0.295 0.000 1.148 434 V CA -0.817 61.596 62.300 0.189 0.000 1.042 434 V CB 1.362 33.212 31.823 0.045 0.000 1.101 434 V HN 0.804 nan 8.190 nan 0.000 0.448 435 G N -0.027 108.912 108.800 0.231 0.000 2.569 435 G HA2 0.539 4.500 3.960 0.002 0.000 0.249 435 G HA3 0.539 4.500 3.960 0.002 0.000 0.249 435 G C -1.075 173.907 174.900 0.136 0.000 1.216 435 G CA -0.159 45.100 45.100 0.264 0.000 0.845 435 G HN 1.332 nan 8.290 nan 0.000 0.568 436 L N 1.694 122.981 121.223 0.105 0.000 2.676 436 L HA 0.397 4.738 4.340 0.002 0.000 0.262 436 L C -0.810 176.087 176.870 0.045 0.000 0.965 436 L CA -0.450 54.429 54.840 0.065 0.000 0.920 436 L CB 1.967 44.063 42.059 0.062 0.000 1.260 436 L HN 0.329 nan 8.230 nan 0.000 0.422 437 V N 4.424 124.360 119.914 0.037 0.000 2.383 437 V HA 0.744 4.865 4.120 0.002 0.000 0.275 437 V C 0.881 176.989 176.094 0.023 0.000 1.036 437 V CA -0.228 62.091 62.300 0.031 0.000 0.889 437 V CB 1.263 33.106 31.823 0.032 0.000 0.985 437 V HN 0.904 nan 8.190 nan 0.000 0.459 438 A N 3.865 126.698 122.820 0.022 0.000 2.450 438 A HA 0.382 4.703 4.320 0.002 0.000 0.255 438 A C 1.442 179.042 177.584 0.026 0.000 1.096 438 A CA 0.372 52.422 52.037 0.022 0.000 0.778 438 A CB 0.381 19.393 19.000 0.021 0.000 1.031 438 A HN 1.172 nan 8.150 nan 0.000 0.494 439 S N 1.287 117.006 115.700 0.031 0.000 2.453 439 S HA 0.043 4.514 4.470 0.002 0.000 0.231 439 S C 0.610 175.228 174.600 0.031 0.000 1.005 439 S CA 0.880 59.103 58.200 0.038 0.000 0.949 439 S CB -0.366 62.867 63.200 0.054 0.000 0.774 439 S HN 1.030 nan 8.310 nan 0.000 0.510 440 Q N -0.569 119.247 119.800 0.026 0.000 2.630 440 Q HA 0.426 4.767 4.340 0.002 0.000 0.295 440 Q C -1.525 174.487 176.000 0.019 0.000 0.944 440 Q CA -1.195 54.621 55.803 0.022 0.000 0.766 440 Q CB 0.868 29.617 28.738 0.019 0.000 1.471 440 Q HN 0.056 nan 8.270 nan 0.000 0.416 441 K N 0.952 121.363 120.400 0.018 0.000 2.382 441 K HA 0.192 4.513 4.320 0.002 0.000 0.275 441 K C -0.930 175.679 176.600 0.015 0.000 1.009 441 K CA 0.521 56.819 56.287 0.018 0.000 0.970 441 K CB 0.308 32.818 32.500 0.017 0.000 0.934 441 K HN 0.798 nan 8.250 nan 0.000 0.479 442 N N 0.526 119.236 118.700 0.017 0.000 2.934 442 N HA 0.162 4.903 4.740 0.002 0.000 0.253 442 N C -0.903 174.616 175.510 0.015 0.000 1.466 442 N CA -0.791 52.267 53.050 0.013 0.000 0.858 442 N CB 0.985 39.479 38.487 0.013 0.000 1.459 442 N HN 0.289 nan 8.380 nan 0.000 0.532 443 D N -0.344 120.061 120.400 0.008 0.000 2.340 443 D HA 0.157 4.798 4.640 0.002 0.000 0.220 443 D C 0.012 176.324 176.300 0.020 0.000 1.039 443 D CA 0.378 54.383 54.000 0.008 0.000 0.866 443 D CB 0.158 40.952 40.800 -0.009 0.000 0.913 443 D HN 0.373 nan 8.370 nan 0.000 0.523 444 L N 1.246 122.485 121.223 0.026 0.000 2.375 444 L HA 0.240 4.581 4.340 0.002 0.000 0.271 444 L C 0.371 177.284 176.870 0.072 0.000 1.107 444 L CA -0.522 54.342 54.840 0.041 0.000 0.806 444 L CB 1.073 43.148 42.059 0.027 0.000 1.146 444 L HN -0.292 nan 8.230 nan 0.000 0.447 445 D N 2.324 122.788 120.400 0.106 0.000 2.232 445 D HA 0.573 5.214 4.640 0.002 0.000 0.242 445 D C -0.490 175.877 176.300 0.113 0.000 1.093 445 D CA -0.018 54.061 54.000 0.131 0.000 0.845 445 D CB 2.174 43.107 40.800 0.221 0.000 1.124 445 D HN 0.588 nan 8.370 nan 0.000 0.467 446 A N 1.750 124.623 122.820 0.089 0.000 2.486 446 A HA 0.637 4.958 4.320 0.002 0.000 0.300 446 A C -1.324 176.306 177.584 0.077 0.000 1.048 446 A CA -0.741 51.347 52.037 0.086 0.000 0.696 446 A CB 2.137 21.175 19.000 0.063 0.000 1.278 446 A HN 0.357 nan 8.150 nan 0.000 0.405 447 V N 0.796 120.770 119.914 0.099 0.000 2.888 447 V HA 0.865 4.986 4.120 0.002 0.000 0.309 447 V C -0.529 175.624 176.094 0.098 0.000 1.114 447 V CA 0.192 62.549 62.300 0.095 0.000 0.940 447 V CB 1.945 33.850 31.823 0.137 0.000 1.021 447 V HN 2.043 nan 8.190 nan 0.000 0.426 448 A N 5.885 128.758 122.820 0.088 0.000 2.374 448 A HA 1.006 5.327 4.320 0.002 0.000 0.317 448 A C -1.659 175.972 177.584 0.079 0.000 1.094 448 A CA -0.562 51.516 52.037 0.068 0.000 0.765 448 A CB 1.605 20.639 19.000 0.058 0.000 1.268 448 A HN 0.878 nan 8.150 nan 0.000 0.438 449 L N 0.707 121.954 121.223 0.040 0.000 2.376 449 L HA 0.695 5.036 4.340 0.002 0.000 0.258 449 L C -0.348 176.517 176.870 -0.009 0.000 1.013 449 L CA -0.236 54.645 54.840 0.069 0.000 0.822 449 L CB 2.179 44.326 42.059 0.148 0.000 1.388 449 L HN 0.822 nan 8.230 nan 0.000 0.413 450 M N 0.848 120.465 119.600 0.027 0.000 2.167 450 M HA 0.453 4.933 4.480 0.002 0.000 0.333 450 M C -0.632 175.729 176.300 0.101 0.000 1.030 450 M CA -0.184 55.103 55.300 -0.020 0.000 0.963 450 M CB 0.972 33.549 32.600 -0.038 0.000 1.589 450 M HN 0.541 nan 8.290 nan 0.000 0.431 451 H N 4.669 123.684 119.070 -0.092 0.000 2.836 451 H HA 0.049 4.606 4.556 0.002 0.000 0.368 451 H C -1.731 173.569 175.328 -0.046 0.000 1.164 451 H CA -1.232 54.780 56.048 -0.061 0.000 1.425 451 H CB 0.317 30.023 29.762 -0.094 0.000 1.414 451 H HN 0.539 nan 8.280 nan 0.000 0.614 452 P HA -0.212 nan 4.420 nan 0.000 0.217 452 P C 0.760 178.076 177.300 0.027 0.000 1.148 452 P CA 1.700 64.821 63.100 0.035 0.000 0.834 452 P CB 0.043 31.751 31.700 0.013 0.000 0.783 453 D N -2.263 118.158 120.400 0.035 0.000 2.328 453 D HA 0.110 4.751 4.640 0.002 0.000 0.226 453 D C 1.340 177.611 176.300 -0.049 0.000 1.066 453 D CA 0.444 54.440 54.000 -0.008 0.000 0.861 453 D CB -1.005 39.785 40.800 -0.016 0.000 0.912 453 D HN 0.234 nan 8.370 nan 0.000 0.521 454 G N 0.095 108.869 108.800 -0.044 0.000 2.179 454 G HA2 -0.288 3.673 3.960 0.002 0.000 0.260 454 G HA3 -0.288 3.673 3.960 0.002 0.000 0.260 454 G C 0.375 175.169 174.900 -0.176 0.000 0.977 454 G CA 0.372 45.420 45.100 -0.086 0.000 0.641 454 G HN 0.767 nan 8.290 nan 0.000 0.533 455 S N -0.128 115.425 115.700 -0.246 0.000 2.592 455 S HA 0.766 5.237 4.470 0.002 0.000 0.271 455 S C 0.462 174.699 174.600 -0.605 0.000 1.326 455 S CA 0.262 58.208 58.200 -0.424 0.000 1.024 455 S CB 2.145 65.068 63.200 -0.463 0.000 0.921 455 S HN 1.834 nan 8.310 nan 0.000 0.527 456 A N 1.410 123.710 122.820 -0.866 0.000 2.309 456 A HA 0.679 5.000 4.320 0.002 0.000 0.298 456 A C -0.286 176.721 177.584 -0.961 0.000 1.165 456 A CA -0.800 50.602 52.037 -1.057 0.000 0.821 456 A CB 0.691 18.576 19.000 -1.860 0.000 1.102 456 A HN 1.379 nan 8.150 nan 0.000 0.500 457 V N 3.751 123.316 119.914 -0.581 0.000 2.638 457 V HA 0.668 4.789 4.120 0.002 0.000 0.306 457 V C -1.200 174.818 176.094 -0.127 0.000 1.052 457 V CA -0.384 61.726 62.300 -0.317 0.000 0.885 457 V CB 1.808 33.545 31.823 -0.144 0.000 0.999 457 V HN 0.737 nan 8.190 nan 0.000 0.424 458 V N 6.979 126.911 119.914 0.030 0.000 2.483 458 V HA 0.516 4.637 4.120 0.002 0.000 0.297 458 V C -0.272 175.920 176.094 0.163 0.000 1.027 458 V CA -0.605 61.776 62.300 0.135 0.000 0.855 458 V CB 1.899 33.858 31.823 0.226 0.000 0.995 458 V HN 0.719 nan 8.190 nan 0.000 0.424 459 V N 5.526 125.483 119.914 0.070 0.000 2.439 459 V HA 0.542 4.663 4.120 0.002 0.000 0.282 459 V C -0.196 175.952 176.094 0.089 0.000 1.039 459 V CA -0.494 61.805 62.300 -0.001 0.000 0.913 459 V CB 1.757 33.417 31.823 -0.272 0.000 0.983 459 V HN 0.613 nan 8.190 nan 0.000 0.460 460 V N 6.019 126.005 119.914 0.120 0.000 2.443 460 V HA 0.413 4.534 4.120 0.002 0.000 0.293 460 V C -0.549 175.584 176.094 0.065 0.000 1.021 460 V CA -0.528 61.841 62.300 0.115 0.000 0.848 460 V CB 1.614 33.530 31.823 0.156 0.000 0.998 460 V HN 0.672 nan 8.190 nan 0.000 0.424 461 L N 4.583 125.861 121.223 0.092 0.000 2.289 461 L HA 0.644 4.985 4.340 0.002 0.000 0.285 461 L C -0.171 176.759 176.870 0.101 0.000 1.049 461 L CA 0.240 55.153 54.840 0.123 0.000 0.804 461 L CB 1.357 43.536 42.059 0.200 0.000 1.195 461 L HN 0.645 nan 8.230 nan 0.000 0.428 462 N N 4.070 122.831 118.700 0.101 0.000 2.564 462 N HA 0.325 5.066 4.740 0.002 0.000 0.248 462 N C 0.091 175.664 175.510 0.105 0.000 0.986 462 N CA -0.237 52.843 53.050 0.050 0.000 0.921 462 N CB 0.868 39.341 38.487 -0.024 0.000 1.136 462 N HN 0.648 nan 8.380 nan 0.000 0.509 463 R N 0.565 121.118 120.500 0.088 0.000 2.334 463 R HA 0.098 4.439 4.340 0.002 0.000 0.220 463 R C 0.527 176.847 176.300 0.033 0.000 0.917 463 R CA -0.054 56.136 56.100 0.150 0.000 1.073 463 R CB 0.196 30.549 30.300 0.088 0.000 1.056 463 R HN 0.539 nan 8.270 nan 0.000 0.506 464 S N -0.737 114.867 115.700 -0.160 0.000 2.687 464 S HA 0.132 4.603 4.470 0.002 0.000 0.283 464 S C 1.208 175.362 174.600 -0.743 0.000 1.170 464 S CA -0.554 57.473 58.200 -0.288 0.000 1.008 464 S CB 1.905 65.016 63.200 -0.149 0.000 1.026 464 S HN 0.131 nan 8.310 nan 0.000 0.541 465 S N 0.638 115.970 115.700 -0.613 0.000 2.489 465 S HA 0.159 4.630 4.470 0.002 0.000 0.228 465 S C 0.273 174.687 174.600 -0.310 0.000 0.995 465 S CA 0.111 57.940 58.200 -0.618 0.000 0.934 465 S CB -0.545 62.587 63.200 -0.113 0.000 0.771 465 S HN 0.718 nan 8.310 nan 0.000 0.522 466 K N 1.999 122.265 120.400 -0.223 0.000 2.159 466 K HA 0.386 4.707 4.320 0.002 0.000 0.266 466 K C -1.279 175.256 176.600 -0.109 0.000 0.975 466 K CA -0.741 55.474 56.287 -0.120 0.000 0.865 466 K CB 0.713 33.165 32.500 -0.079 0.000 1.087 466 K HN 0.036 nan 8.250 nan 0.000 0.446 467 D N 1.477 121.834 120.400 -0.072 0.000 2.455 467 D HA 0.057 4.698 4.640 0.002 0.000 0.241 467 D C -0.588 175.686 176.300 -0.044 0.000 1.138 467 D CA 0.070 54.038 54.000 -0.053 0.000 0.877 467 D CB 0.879 41.662 40.800 -0.028 0.000 1.187 467 D HN 0.005 nan 8.370 nan 0.000 0.451 468 V N 4.617 124.505 119.914 -0.043 0.000 2.376 468 V HA 0.268 4.389 4.120 0.002 0.000 0.287 468 V C -2.214 173.867 176.094 -0.021 0.000 1.015 468 V CA -1.734 60.547 62.300 -0.032 0.000 0.834 468 V CB 1.651 33.453 31.823 -0.035 0.000 1.001 468 V HN 0.401 nan 8.190 nan 0.000 0.428 469 P HA 0.298 nan 4.420 nan 0.000 0.268 469 P C -0.890 176.408 177.300 -0.005 0.000 1.205 469 P CA -0.121 62.977 63.100 -0.004 0.000 0.771 469 P CB 0.806 32.503 31.700 -0.006 0.000 0.858 470 L N 2.941 124.161 121.223 -0.005 0.000 2.455 470 L HA 0.586 4.927 4.340 0.002 0.000 0.264 470 L C -0.976 175.878 176.870 -0.027 0.000 0.968 470 L CA 0.004 54.832 54.840 -0.021 0.000 0.827 470 L CB 2.241 44.274 42.059 -0.044 0.000 1.317 470 L HN 0.236 nan 8.230 nan 0.000 0.407 471 T N 5.505 120.056 114.554 -0.005 0.000 2.841 471 T HA 0.655 5.006 4.350 0.002 0.000 0.283 471 T C -0.468 174.176 174.700 -0.093 0.000 1.000 471 T CA -0.158 61.938 62.100 -0.006 0.000 0.977 471 T CB 1.177 70.156 68.868 0.186 0.000 0.979 471 T HN 0.430 nan 8.240 nan 0.000 0.446 472 I N 2.818 123.253 120.570 -0.224 0.000 2.362 472 I HA 0.400 4.571 4.170 0.002 0.000 0.289 472 I C 0.216 176.133 176.117 -0.332 0.000 0.994 472 I CA -0.735 60.397 61.300 -0.280 0.000 1.158 472 I CB 1.426 39.161 38.000 -0.442 0.000 1.315 472 I HN 0.287 nan 8.210 nan 0.000 0.451 473 K N 5.478 125.693 120.400 -0.309 0.000 2.211 473 K HA 0.221 4.542 4.320 0.002 0.000 0.275 473 K C -1.074 175.317 176.600 -0.348 0.000 1.024 473 K CA -0.503 55.467 56.287 -0.528 0.000 0.887 473 K CB 1.074 33.200 32.500 -0.623 0.000 1.084 473 K HN 0.467 nan 8.250 nan 0.000 0.463 474 D N 5.745 125.916 120.400 -0.382 0.000 2.349 474 D HA 0.220 4.861 4.640 0.002 0.000 0.232 474 D C -1.898 174.269 176.300 -0.221 0.000 1.071 474 D CA -2.415 51.508 54.000 -0.129 0.000 0.832 474 D CB 1.986 42.838 40.800 0.086 0.000 1.086 474 D HN 0.265 nan 8.370 nan 0.000 0.504 475 P HA -0.116 nan 4.420 nan 0.000 0.216 475 P C 0.914 178.169 177.300 -0.075 0.000 1.150 475 P CA 1.218 64.241 63.100 -0.129 0.000 0.843 475 P CB 0.278 31.938 31.700 -0.067 0.000 0.787 476 A N -1.269 121.537 122.820 -0.023 0.000 2.014 476 A HA -0.056 4.265 4.320 0.002 0.000 0.218 476 A C 2.043 179.634 177.584 0.010 0.000 1.163 476 A CA 1.771 53.815 52.037 0.012 0.000 0.652 476 A CB -0.978 18.052 19.000 0.049 0.000 0.808 476 A HN 0.117 nan 8.150 nan 0.000 0.449 477 V N -2.934 116.968 119.914 -0.019 0.000 3.090 477 V HA 0.528 4.649 4.120 0.002 0.000 0.237 477 V C 1.286 177.317 176.094 -0.104 0.000 1.209 477 V CA 0.692 62.973 62.300 -0.031 0.000 1.209 477 V CB -0.446 31.377 31.823 0.000 0.000 0.971 477 V HN 1.048 nan 8.190 nan 0.000 0.477 478 G N 0.283 108.938 108.800 -0.242 0.000 2.236 478 G HA2 0.046 4.007 3.960 0.002 0.000 0.231 478 G HA3 0.046 4.007 3.960 0.002 0.000 0.231 478 G C -1.506 173.058 174.900 -0.560 0.000 1.334 478 G CA -0.616 44.304 45.100 -0.301 0.000 1.137 478 G HN 0.081 nan 8.290 nan 0.000 0.482 479 F N 0.361 120.194 119.950 -0.194 0.000 2.482 479 F HA 0.734 5.262 4.527 0.002 0.000 0.331 479 F C 0.342 175.999 175.800 -0.237 0.000 1.115 479 F CA -0.653 57.200 58.000 -0.244 0.000 0.955 479 F CB 2.194 41.069 39.000 -0.209 0.000 1.136 479 F HN 0.414 nan 8.300 nan 0.000 0.452 480 L N 4.224 125.332 121.223 -0.193 0.000 2.277 480 L HA 0.456 4.797 4.340 0.002 0.000 0.284 480 L C -0.678 176.069 176.870 -0.204 0.000 1.028 480 L CA -0.539 54.116 54.840 -0.308 0.000 0.835 480 L CB 0.502 42.126 42.059 -0.725 0.000 1.215 480 L HN 0.501 nan 8.230 nan 0.000 0.425 481 E N 3.284 123.451 120.200 -0.055 0.000 2.200 481 E HA 0.364 4.715 4.350 0.002 0.000 0.283 481 E C -0.401 176.195 176.600 -0.006 0.000 1.015 481 E CA 0.014 56.411 56.400 -0.005 0.000 0.819 481 E CB 1.960 31.689 29.700 0.048 0.000 1.081 481 E HN 0.543 nan 8.360 nan 0.000 0.397 482 T N 1.797 116.343 114.554 -0.013 0.000 2.681 482 T HA 0.694 5.045 4.350 0.002 0.000 0.296 482 T C -1.280 173.463 174.700 0.071 0.000 1.157 482 T CA -0.512 61.625 62.100 0.061 0.000 1.025 482 T CB 0.889 69.795 68.868 0.064 0.000 1.441 482 T HN 0.313 nan 8.240 nan 0.000 0.504 483 I N 1.486 122.131 120.570 0.124 0.000 2.582 483 I HA 0.455 4.626 4.170 0.002 0.000 0.292 483 I C -0.349 175.796 176.117 0.047 0.000 1.066 483 I CA -0.699 60.643 61.300 0.070 0.000 1.053 483 I CB 2.324 40.365 38.000 0.067 0.000 1.241 483 I HN 0.497 nan 8.210 nan 0.000 0.421 484 S N 7.222 122.891 115.700 -0.053 0.000 2.464 484 S HA 0.469 4.940 4.470 0.002 0.000 0.313 484 S C -2.415 172.111 174.600 -0.123 0.000 1.078 484 S CA -1.570 56.513 58.200 -0.194 0.000 1.096 484 S CB 0.167 63.281 63.200 -0.145 0.000 1.032 484 S HN 0.190 nan 8.310 nan 0.000 0.498 485 P HA 0.157 nan 4.420 nan 0.000 0.268 485 P C 0.412 177.670 177.300 -0.069 0.000 1.208 485 P CA -0.072 63.002 63.100 -0.042 0.000 0.777 485 P CB 0.265 31.974 31.700 0.017 0.000 0.875 486 G N 0.932 109.674 108.800 -0.097 0.000 2.491 486 G HA2 0.074 4.035 3.960 0.002 0.000 0.238 486 G HA3 0.074 4.035 3.960 0.002 0.000 0.238 486 G C -0.679 174.138 174.900 -0.138 0.000 1.277 486 G CA -0.301 44.661 45.100 -0.230 0.000 0.851 486 G HN 0.591 nan 8.290 nan 0.000 0.573 487 Y N -0.324 120.015 120.300 0.064 0.000 3.078 487 Y HA -0.258 4.293 4.550 0.002 0.000 0.202 487 Y C 1.299 177.263 175.900 0.106 0.000 1.322 487 Y CA 0.501 58.670 58.100 0.114 0.000 1.118 487 Y CB -1.878 36.502 38.460 -0.133 0.000 1.343 487 Y HN 0.886 nan 8.280 nan 0.000 0.499 488 S N -0.082 115.799 115.700 0.301 0.000 2.709 488 S HA 0.906 5.377 4.470 0.002 0.000 0.302 488 S C -0.738 174.036 174.600 0.289 0.000 1.127 488 S CA -0.802 57.572 58.200 0.290 0.000 0.905 488 S CB 3.324 66.582 63.200 0.096 0.000 1.151 488 S HN 0.477 nan 8.310 nan 0.000 0.510 489 I N 0.672 121.350 120.570 0.179 0.000 2.607 489 I HA 0.480 4.651 4.170 0.002 0.000 0.290 489 I C -1.582 174.478 176.117 -0.094 0.000 1.129 489 I CA -0.489 60.765 61.300 -0.076 0.000 1.042 489 I CB 1.670 39.466 38.000 -0.340 0.000 1.242 489 I HN 0.895 nan 8.210 nan 0.000 0.421 490 H N 4.721 123.668 119.070 -0.205 0.000 2.495 490 H HA 0.452 5.009 4.556 0.002 0.000 0.348 490 H C -0.930 174.311 175.328 -0.145 0.000 1.113 490 H CA -0.929 55.016 56.048 -0.172 0.000 1.195 490 H CB 2.192 31.849 29.762 -0.176 0.000 1.521 490 H HN 0.432 nan 8.280 nan 0.000 0.509 491 T N 3.529 118.085 114.554 0.004 0.000 2.770 491 T HA 0.240 4.591 4.350 0.002 0.000 0.283 491 T C -0.808 173.735 174.700 -0.262 0.000 0.988 491 T CA -0.628 61.401 62.100 -0.118 0.000 0.957 491 T CB 0.276 68.973 68.868 -0.285 0.000 0.930 491 T HN 0.302 nan 8.240 nan 0.000 0.443 492 Y N 2.332 122.652 120.300 0.033 0.000 2.361 492 Y HA 0.683 5.234 4.550 0.002 0.000 0.332 492 Y C -0.113 175.855 175.900 0.114 0.000 1.101 492 Y CA -1.225 56.961 58.100 0.144 0.000 1.137 492 Y CB 1.128 39.702 38.460 0.189 0.000 1.207 492 Y HN 0.413 nan 8.280 nan 0.000 0.463 493 L N 3.350 124.786 121.223 0.355 0.000 2.438 493 L HA 0.511 4.852 4.340 0.002 0.000 0.270 493 L C -1.434 175.628 176.870 0.320 0.000 0.972 493 L CA -0.375 54.501 54.840 0.060 0.000 0.831 493 L CB 1.464 43.379 42.059 -0.240 0.000 1.273 493 L HN 0.793 nan 8.230 nan 0.000 0.405 494 W N 1.258 122.542 121.300 -0.027 0.000 3.213 494 W HA 0.597 5.258 4.660 0.002 0.000 0.318 494 W C -1.152 175.439 176.519 0.120 0.000 1.248 494 W CA -0.830 56.565 57.345 0.084 0.000 1.187 494 W CB 0.407 29.943 29.460 0.127 0.000 1.403 494 W HN 0.307 nan 8.180 nan 0.000 0.556 495 H N 2.075 121.233 119.070 0.146 0.000 2.815 495 H HA 0.332 4.889 4.556 0.002 0.000 0.350 495 H C 0.990 176.434 175.328 0.193 0.000 1.080 495 H CA -0.153 55.943 56.048 0.081 0.000 1.433 495 H CB 1.245 31.077 29.762 0.116 0.000 1.432 495 H HN 0.485 nan 8.280 nan 0.000 0.592 496 R N 1.143 121.744 120.500 0.169 0.000 2.335 496 R HA 0.176 4.517 4.340 0.002 0.000 0.210 496 R C 0.088 176.465 176.300 0.128 0.000 0.892 496 R CA 0.171 56.374 56.100 0.172 0.000 1.048 496 R CB 0.784 31.109 30.300 0.041 0.000 1.067 496 R HN 0.628 nan 8.270 nan 0.000 0.524 497 Q N 0.000 119.867 119.800 0.112 0.000 2.315 497 Q HA 0.000 4.341 4.340 0.002 0.000 0.214 497 Q CA 0.000 55.858 55.803 0.091 0.000 1.022 497 Q CB 0.000 28.765 28.738 0.044 0.000 1.108 497 Q HN 0.000 nan 8.270 nan 0.000 0.481