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 1f7u_1_A DATA FIRST_RESID 2 DATA SEQUENCE ASTANMISQL KKLSIAEPAV AKDSHPDVNI VDLMRNYISQ ELSKISGVDS DATA SEQUENCE SLIFPALEWT NTMERGDLLI PIPRLRIKGA NPKDLAVQWA EKFPCGDFLE DATA SEQUENCE KVEANGPFIQ FFFNPQFLAK LVIPDILTRK EDYGSCKLVE NKKVIIEFSS DATA SEQUENCE PNIAKPFHAG HLRSTIIGGF LANLYEKLGW EVIRMNYLGD WGKQFGLLAV DATA SEQUENCE GFERYGNEEA LVKDPIHHLF DVYVRINKDI EEEGDSIPLE QSTNGKAREY DATA SEQUENCE FKRMEDGDEE ALKIWKRFRE FSIEKYIDTY ARLNIKYDVY SGESQVSKES DATA SEQUENCE MLKAIDLFKE KGLTHEDKGA VLIDLTKFNK KLGKAIVQKS DGTTLYLTRD DATA SEQUENCE VGAAMDRYEK YHFDKMIYVI ASQQDLHAAQ FFEILKQMGF EWAKDLQHVN DATA SEQUENCE FGMVQGMSTR KGTVVFLDNI LEETKEKMHE VMKKNENKYA QIEHPEEVAD DATA SEQUENCE LVGISAVMIQ DMQGKRINNY EFKWERMLSF EGDTGPYLQY AHSRLRSVER DATA SEQUENCE NASGITQEKW INADFSLLKE PAAKLLIRLL GQYPDVLRNA IKTHEPTTVV DATA SEQUENCE TYLFKLTHQV SSCYDVLWVA GQTEELATAR LALYGAARQV LYNGMRLLGL DATA SEQUENCE TPVERM 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 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.624 177.584 0.067 0.000 1.274 2 A CA 0.000 52.070 52.037 0.054 0.000 0.836 2 A CB 0.000 19.034 19.000 0.057 0.000 0.831 3 S N -0.801 114.942 115.700 0.071 0.000 2.371 3 S HA -0.086 4.381 4.470 -0.005 0.000 0.224 3 S C 1.754 176.427 174.600 0.122 0.000 1.029 3 S CA 2.749 61.000 58.200 0.085 0.000 0.978 3 S CB -0.356 62.892 63.200 0.080 0.000 0.833 3 S HN 0.878 nan 8.310 nan 0.000 0.466 4 T N 2.057 116.684 114.554 0.121 0.000 2.746 4 T HA 0.022 4.369 4.350 -0.005 0.000 0.267 4 T C 2.046 176.843 174.700 0.160 0.000 1.039 4 T CA 1.335 63.526 62.100 0.151 0.000 1.142 4 T CB -0.661 68.252 68.868 0.075 0.000 0.866 4 T HN 0.520 nan 8.240 nan 0.000 0.444 5 A N 2.047 124.935 122.820 0.112 0.000 1.933 5 A HA -0.146 4.171 4.320 -0.005 0.000 0.218 5 A C 2.278 179.928 177.584 0.110 0.000 1.175 5 A CA 1.585 53.681 52.037 0.098 0.000 0.628 5 A CB -0.701 18.339 19.000 0.067 0.000 0.814 5 A HN 0.494 nan 8.150 nan 0.000 0.444 6 N N -0.381 118.382 118.700 0.105 0.000 2.142 6 N HA -0.115 4.621 4.740 -0.005 0.000 0.186 6 N C 1.851 177.435 175.510 0.123 0.000 1.023 6 N CA 1.644 54.751 53.050 0.096 0.000 0.852 6 N CB -0.242 38.291 38.487 0.077 0.000 0.998 6 N HN 0.527 nan 8.380 nan 0.000 0.424 7 M N 0.486 120.189 119.600 0.172 0.000 2.086 7 M HA -0.136 4.341 4.480 -0.005 0.000 0.261 7 M C 2.254 178.707 176.300 0.255 0.000 1.067 7 M CA 1.221 56.647 55.300 0.210 0.000 1.116 7 M CB -0.361 32.415 32.600 0.293 0.000 1.348 7 M HN 0.126 nan 8.290 nan 0.000 0.407 8 I N -0.216 120.547 120.570 0.321 0.000 2.151 8 I HA -0.324 3.842 4.170 -0.005 0.000 0.243 8 I C 2.489 178.713 176.117 0.178 0.000 1.080 8 I CA 1.355 62.833 61.300 0.296 0.000 1.339 8 I CB -0.476 37.663 38.000 0.231 0.000 1.039 8 I HN 0.264 nan 8.210 nan 0.000 0.409 9 S N -0.002 115.777 115.700 0.131 0.000 2.359 9 S HA -0.275 4.191 4.470 -0.005 0.000 0.224 9 S C 1.914 176.563 174.600 0.082 0.000 1.035 9 S CA 1.403 59.657 58.200 0.090 0.000 1.018 9 S CB -0.316 62.927 63.200 0.071 0.000 0.876 9 S HN 0.368 nan 8.310 nan 0.000 0.448 10 Q N 0.743 120.595 119.800 0.086 0.000 2.002 10 Q HA -0.021 4.316 4.340 -0.005 0.000 0.204 10 Q C 2.174 178.212 176.000 0.065 0.000 0.988 10 Q CA 1.170 57.011 55.803 0.064 0.000 0.843 10 Q CB -0.553 28.220 28.738 0.058 0.000 0.908 10 Q HN 0.286 nan 8.270 nan 0.000 0.420 11 L N 0.691 121.970 121.223 0.094 0.000 2.012 11 L HA -0.203 4.134 4.340 -0.005 0.000 0.210 11 L C 1.889 178.813 176.870 0.090 0.000 1.073 11 L CA 1.869 56.767 54.840 0.095 0.000 0.748 11 L CB -1.099 41.046 42.059 0.143 0.000 0.891 11 L HN 0.288 nan 8.230 nan 0.000 0.431 12 K N -0.374 120.087 120.400 0.101 0.000 2.360 12 K HA -0.188 4.129 4.320 -0.005 0.000 0.201 12 K C 1.845 178.477 176.600 0.053 0.000 1.046 12 K CA 0.830 57.167 56.287 0.083 0.000 0.945 12 K CB 0.031 32.582 32.500 0.085 0.000 0.750 12 K HN 0.227 nan 8.250 nan 0.000 0.464 13 K N 0.676 121.101 120.400 0.042 0.000 2.358 13 K HA 0.064 4.380 4.320 -0.005 0.000 0.200 13 K C -0.049 176.553 176.600 0.002 0.000 1.030 13 K CA -0.199 56.100 56.287 0.021 0.000 1.097 13 K CB 0.423 32.937 32.500 0.022 0.000 0.862 13 K HN -0.072 nan 8.250 nan 0.000 0.534 14 L N 1.206 122.432 121.223 0.006 0.000 2.371 14 L HA 0.211 4.548 4.340 -0.005 0.000 0.272 14 L C -0.584 176.257 176.870 -0.049 0.000 1.124 14 L CA 0.458 55.289 54.840 -0.016 0.000 0.816 14 L CB 1.651 43.708 42.059 -0.003 0.000 1.129 14 L HN -0.054 nan 8.230 nan 0.000 0.448 15 S N 4.993 120.647 115.700 -0.077 0.000 2.395 15 S HA 0.356 4.823 4.470 -0.005 0.000 0.207 15 S C 0.766 175.277 174.600 -0.149 0.000 1.454 15 S CA -0.625 57.496 58.200 -0.131 0.000 1.211 15 S CB -0.068 63.063 63.200 -0.115 0.000 1.093 15 S HN 0.608 nan 8.310 nan 0.000 0.472 16 I N 1.707 122.163 120.570 -0.191 0.000 2.628 16 I HA 0.484 4.651 4.170 -0.005 0.000 0.255 16 I C 1.154 177.126 176.117 -0.241 0.000 1.119 16 I CA -0.267 60.931 61.300 -0.169 0.000 1.448 16 I CB -0.801 37.145 38.000 -0.090 0.000 1.133 16 I HN 0.545 nan 8.210 nan 0.000 0.438 17 A N 2.947 125.478 122.820 -0.483 0.000 2.466 17 A HA 0.080 4.397 4.320 -0.005 0.000 0.238 17 A C 0.405 177.822 177.584 -0.280 0.000 1.074 17 A CA -0.227 51.520 52.037 -0.484 0.000 0.774 17 A CB -0.240 18.166 19.000 -0.989 0.000 1.015 17 A HN 0.628 nan 8.150 nan 0.000 0.498 18 E N 2.233 122.329 120.200 -0.173 0.000 2.442 18 E HA 0.072 4.419 4.350 -0.005 0.000 0.262 18 E C -2.069 174.456 176.600 -0.124 0.000 1.004 18 E CA -1.013 55.317 56.400 -0.116 0.000 0.928 18 E CB -0.037 29.622 29.700 -0.069 0.000 0.937 18 E HN 0.384 nan 8.360 nan 0.000 0.446 19 P HA -0.356 nan 4.420 nan 0.000 0.219 19 P C 1.163 178.419 177.300 -0.074 0.000 1.153 19 P CA 2.600 65.646 63.100 -0.089 0.000 0.865 19 P CB -0.001 31.661 31.700 -0.062 0.000 0.788 20 A N -1.084 121.702 122.820 -0.055 0.000 1.873 20 A HA -0.214 4.103 4.320 -0.005 0.000 0.218 20 A C 2.431 179.995 177.584 -0.033 0.000 1.193 20 A CA 2.485 54.503 52.037 -0.032 0.000 0.629 20 A CB -1.592 17.397 19.000 -0.019 0.000 0.826 20 A HN 0.234 nan 8.150 nan 0.000 0.447 21 V N -1.216 118.664 119.914 -0.057 0.000 2.685 21 V HA 0.226 4.343 4.120 -0.005 0.000 0.244 21 V C 2.585 178.608 176.094 -0.119 0.000 1.054 21 V CA 1.555 63.827 62.300 -0.047 0.000 1.076 21 V CB -0.354 31.463 31.823 -0.011 0.000 0.725 21 V HN 0.583 nan 8.190 nan 0.000 0.467 22 A N 0.026 122.713 122.820 -0.220 0.000 2.024 22 A HA -0.262 4.055 4.320 -0.005 0.000 0.220 22 A C 2.226 179.678 177.584 -0.220 0.000 1.164 22 A CA 2.123 53.980 52.037 -0.300 0.000 0.643 22 A CB -0.662 18.157 19.000 -0.302 0.000 0.806 22 A HN 0.621 nan 8.150 nan 0.000 0.451 23 K N -0.467 119.848 120.400 -0.141 0.000 2.360 23 K HA -0.186 4.131 4.320 -0.005 0.000 0.201 23 K C 0.141 176.682 176.600 -0.099 0.000 1.046 23 K CA 1.687 57.913 56.287 -0.103 0.000 0.940 23 K CB -0.129 32.347 32.500 -0.040 0.000 0.748 23 K HN 0.444 nan 8.250 nan 0.000 0.465 24 D N -0.382 119.972 120.400 -0.077 0.000 2.369 24 D HA 0.012 4.649 4.640 -0.005 0.000 0.211 24 D C -0.418 175.843 176.300 -0.065 0.000 1.077 24 D CA 0.104 54.129 54.000 0.042 0.000 0.842 24 D CB 0.841 41.703 40.800 0.104 0.000 0.947 24 D HN -0.045 nan 8.370 nan 0.000 0.509 25 S N 0.176 115.706 115.700 -0.283 0.000 2.452 25 S HA 0.222 4.689 4.470 -0.005 0.000 0.284 25 S C -0.809 173.497 174.600 -0.490 0.000 1.171 25 S CA -0.495 57.592 58.200 -0.189 0.000 1.064 25 S CB 0.018 63.149 63.200 -0.115 0.000 0.967 25 S HN 0.138 nan 8.310 nan 0.000 0.484 26 H N 4.903 124.010 119.070 0.061 0.000 2.448 26 H HA 0.306 4.859 4.556 -0.006 0.000 0.237 26 H C -2.241 173.118 175.328 0.052 0.000 1.391 26 H CA -1.429 54.643 56.048 0.039 0.000 1.477 26 H CB 0.997 30.768 29.762 0.016 0.000 1.520 26 H HN 0.412 nan 8.280 nan 0.000 0.502 27 P HA -0.170 nan 4.420 nan 0.000 0.225 27 P C 1.199 178.564 177.300 0.108 0.000 1.148 27 P CA 1.118 64.288 63.100 0.117 0.000 0.779 27 P CB 0.402 32.166 31.700 0.108 0.000 0.780 28 D N -0.538 119.927 120.400 0.108 0.000 2.277 28 D HA -0.081 4.556 4.640 -0.005 0.000 0.208 28 D C 1.372 177.720 176.300 0.081 0.000 0.962 28 D CA 1.286 55.339 54.000 0.089 0.000 0.865 28 D CB -0.432 40.417 40.800 0.082 0.000 0.939 28 D HN 0.238 nan 8.370 nan 0.000 0.510 29 V N -3.604 116.362 119.914 0.086 0.000 3.398 29 V HA 0.335 4.452 4.120 -0.005 0.000 0.298 29 V C 0.024 176.130 176.094 0.021 0.000 1.496 29 V CA -0.653 61.677 62.300 0.051 0.000 1.044 29 V CB -0.268 31.558 31.823 0.004 0.000 0.880 29 V HN 0.017 nan 8.190 nan 0.000 0.443 30 N N 0.698 119.432 118.700 0.056 0.000 2.576 30 N HA 0.354 5.091 4.740 -0.005 0.000 0.269 30 N C 0.225 175.780 175.510 0.074 0.000 1.058 30 N CA -0.450 52.625 53.050 0.042 0.000 0.860 30 N CB 1.831 40.353 38.487 0.058 0.000 1.249 30 N HN 0.166 nan 8.380 nan 0.000 0.525 31 I N 3.966 124.582 120.570 0.076 0.000 2.335 31 I HA -0.196 3.970 4.170 -0.005 0.000 0.251 31 I C 1.518 177.641 176.117 0.009 0.000 1.129 31 I CA 1.341 62.670 61.300 0.049 0.000 1.402 31 I CB 0.279 38.304 38.000 0.041 0.000 1.069 31 I HN 0.453 nan 8.210 nan 0.000 0.424 32 V N 0.248 120.199 119.914 0.062 0.000 2.515 32 V HA -0.235 3.882 4.120 -0.005 0.000 0.250 32 V C 2.096 178.232 176.094 0.070 0.000 1.058 32 V CA 1.869 64.223 62.300 0.091 0.000 1.064 32 V CB -0.908 31.047 31.823 0.220 0.000 0.675 32 V HN 0.374 nan 8.190 nan 0.000 0.461 33 D N -0.082 120.376 120.400 0.097 0.000 2.178 33 D HA -0.109 4.528 4.640 -0.005 0.000 0.202 33 D C 1.945 178.324 176.300 0.131 0.000 0.974 33 D CA 0.898 54.979 54.000 0.135 0.000 0.841 33 D CB -0.100 40.804 40.800 0.175 0.000 0.953 33 D HN 0.359 nan 8.370 nan 0.000 0.478 34 L N 0.310 121.595 121.223 0.104 0.000 2.056 34 L HA -0.113 4.224 4.340 -0.005 0.000 0.207 34 L C 2.021 178.959 176.870 0.112 0.000 1.078 34 L CA 1.374 56.293 54.840 0.131 0.000 0.749 34 L CB -0.309 41.844 42.059 0.156 0.000 0.901 34 L HN -0.073 nan 8.230 nan 0.000 0.433 35 M N -0.955 118.645 119.600 -0.001 0.000 2.229 35 M HA -0.128 4.349 4.480 -0.005 0.000 0.264 35 M C 2.388 178.688 176.300 0.001 0.000 1.063 35 M CA 1.394 56.650 55.300 -0.073 0.000 1.114 35 M CB -1.089 31.167 32.600 -0.572 0.000 1.387 35 M HN 0.278 nan 8.290 nan 0.000 0.420 36 R N 0.053 120.536 120.500 -0.029 0.000 2.081 36 R HA -0.127 4.210 4.340 -0.005 0.000 0.235 36 R C 1.968 178.250 176.300 -0.030 0.000 1.131 36 R CA 1.246 57.242 56.100 -0.173 0.000 0.960 36 R CB -0.318 29.706 30.300 -0.460 0.000 0.856 36 R HN 0.391 nan 8.270 nan 0.000 0.436 37 N N 0.244 119.025 118.700 0.135 0.000 2.058 37 N HA -0.198 4.538 4.740 -0.005 0.000 0.191 37 N C 1.522 177.055 175.510 0.038 0.000 1.037 37 N CA 1.194 54.339 53.050 0.159 0.000 0.848 37 N CB -0.576 38.001 38.487 0.150 0.000 1.021 37 N HN 0.220 nan 8.380 nan 0.000 0.422 38 Y N 1.552 121.784 120.300 -0.113 0.000 2.097 38 Y HA -0.114 4.433 4.550 -0.005 0.000 0.282 38 Y C 2.141 177.955 175.900 -0.144 0.000 1.152 38 Y CA 1.516 59.470 58.100 -0.244 0.000 1.136 38 Y CB -0.466 37.709 38.460 -0.475 0.000 0.975 38 Y HN 0.012 nan 8.280 nan 0.000 0.498 39 I N -0.847 119.650 120.570 -0.121 0.000 2.226 39 I HA -0.321 3.846 4.170 -0.005 0.000 0.245 39 I C 2.395 178.414 176.117 -0.164 0.000 1.100 39 I CA 1.540 62.724 61.300 -0.193 0.000 1.374 39 I CB -0.524 37.175 38.000 -0.502 0.000 1.057 39 I HN 0.151 nan 8.210 nan 0.000 0.413 40 S N 0.042 115.660 115.700 -0.137 0.000 2.368 40 S HA -0.252 4.215 4.470 -0.005 0.000 0.224 40 S C 1.928 176.461 174.600 -0.112 0.000 1.029 40 S CA 1.344 59.501 58.200 -0.072 0.000 0.988 40 S CB -0.303 62.934 63.200 0.063 0.000 0.838 40 S HN 0.502 nan 8.310 nan 0.000 0.462 41 Q N 0.928 120.632 119.800 -0.160 0.000 2.020 41 Q HA -0.163 4.174 4.340 -0.005 0.000 0.202 41 Q C 1.709 177.529 176.000 -0.300 0.000 0.982 41 Q CA 1.256 56.935 55.803 -0.206 0.000 0.838 41 Q CB -0.075 28.535 28.738 -0.213 0.000 0.899 41 Q HN 0.320 nan 8.270 nan 0.000 0.423 42 E N 0.527 120.457 120.200 -0.450 0.000 2.106 42 E HA -0.146 4.201 4.350 -0.005 0.000 0.192 42 E C 2.005 178.280 176.600 -0.542 0.000 0.984 42 E CA 0.570 56.609 56.400 -0.600 0.000 0.806 42 E CB -0.230 28.893 29.700 -0.962 0.000 0.750 42 E HN 0.317 nan 8.360 nan 0.000 0.458 43 L N 0.842 121.902 121.223 -0.272 0.000 2.156 43 L HA -0.030 4.306 4.340 -0.005 0.000 0.208 43 L C 2.332 179.018 176.870 -0.307 0.000 1.095 43 L CA 1.368 56.115 54.840 -0.154 0.000 0.770 43 L CB -0.630 41.496 42.059 0.112 0.000 0.914 43 L HN -0.029 nan 8.230 nan 0.000 0.439 44 S N -0.618 114.934 115.700 -0.246 0.000 2.368 44 S HA -0.221 4.246 4.470 -0.005 0.000 0.225 44 S C 2.047 176.499 174.600 -0.247 0.000 1.030 44 S CA 1.520 59.584 58.200 -0.227 0.000 0.999 44 S CB -0.154 62.951 63.200 -0.158 0.000 0.844 44 S HN 0.541 nan 8.310 nan 0.000 0.459 45 K N 0.337 120.585 120.400 -0.253 0.000 2.147 45 K HA 0.005 4.322 4.320 -0.005 0.000 0.205 45 K C 1.964 178.418 176.600 -0.244 0.000 1.049 45 K CA 1.521 57.673 56.287 -0.225 0.000 0.936 45 K CB -0.239 32.123 32.500 -0.231 0.000 0.722 45 K HN 0.453 nan 8.250 nan 0.000 0.446 46 I N 0.542 120.913 120.570 -0.331 0.000 2.333 46 I HA -0.201 3.966 4.170 -0.005 0.000 0.246 46 I C 2.406 178.246 176.117 -0.462 0.000 1.106 46 I CA 1.152 62.242 61.300 -0.350 0.000 1.411 46 I CB -0.108 37.660 38.000 -0.387 0.000 1.082 46 I HN 0.168 nan 8.210 nan 0.000 0.420 47 S N -0.112 115.181 115.700 -0.678 0.000 2.470 47 S HA 0.174 4.641 4.470 -0.005 0.000 0.222 47 S C 1.754 176.188 174.600 -0.276 0.000 1.024 47 S CA 0.534 58.278 58.200 -0.759 0.000 0.931 47 S CB 0.564 62.963 63.200 -1.334 0.000 0.791 47 S HN 0.548 nan 8.310 nan 0.000 0.513 48 G N 0.523 109.189 108.800 -0.223 0.000 2.159 48 G HA2 -0.224 3.733 3.960 -0.005 0.000 0.256 48 G HA3 -0.224 3.733 3.960 -0.005 0.000 0.256 48 G C 0.028 174.872 174.900 -0.093 0.000 0.977 48 G CA 0.118 45.148 45.100 -0.116 0.000 0.652 48 G HN 0.694 nan 8.290 nan 0.000 0.531 49 V N 1.311 121.146 119.914 -0.132 0.000 2.509 49 V HA 0.451 4.567 4.120 -0.005 0.000 0.284 49 V C 0.692 176.739 176.094 -0.078 0.000 1.047 49 V CA -0.435 61.817 62.300 -0.080 0.000 0.952 49 V CB 1.713 33.496 31.823 -0.068 0.000 0.988 49 V HN 0.403 nan 8.190 nan 0.000 0.469 50 D N 3.360 123.733 120.400 -0.046 0.000 2.531 50 D HA -0.061 4.576 4.640 -0.005 0.000 0.239 50 D C 1.466 177.744 176.300 -0.036 0.000 1.144 50 D CA 0.878 54.852 54.000 -0.042 0.000 0.869 50 D CB 1.217 42.000 40.800 -0.028 0.000 1.160 50 D HN 0.666 nan 8.370 nan 0.000 0.484 51 S N 1.948 117.622 115.700 -0.044 0.000 2.419 51 S HA -0.231 4.236 4.470 -0.005 0.000 0.233 51 S C 1.874 176.489 174.600 0.025 0.000 1.016 51 S CA 1.095 59.283 58.200 -0.021 0.000 0.974 51 S CB -0.565 62.613 63.200 -0.036 0.000 0.786 51 S HN 0.510 nan 8.310 nan 0.000 0.492 52 S N 1.455 117.153 115.700 -0.003 0.000 2.481 52 S HA 0.174 4.641 4.470 -0.005 0.000 0.231 52 S C 1.668 176.290 174.600 0.037 0.000 0.996 52 S CA 0.446 58.643 58.200 -0.005 0.000 0.942 52 S CB -0.643 62.528 63.200 -0.048 0.000 0.768 52 S HN 0.560 nan 8.310 nan 0.000 0.520 53 L N 0.083 121.325 121.223 0.032 0.000 2.307 53 L HA 0.284 4.621 4.340 -0.005 0.000 0.211 53 L C 2.323 179.228 176.870 0.059 0.000 1.099 53 L CA 0.494 55.357 54.840 0.038 0.000 0.816 53 L CB -0.305 41.767 42.059 0.021 0.000 0.952 53 L HN 0.296 nan 8.230 nan 0.000 0.455 54 I N -0.873 119.732 120.570 0.058 0.000 2.333 54 I HA -0.272 3.895 4.170 -0.005 0.000 0.246 54 I C 2.456 178.615 176.117 0.071 0.000 1.106 54 I CA 1.120 62.451 61.300 0.052 0.000 1.411 54 I CB -0.240 37.769 38.000 0.015 0.000 1.082 54 I HN 0.107 nan 8.210 nan 0.000 0.420 55 F N 3.558 123.484 119.950 -0.040 0.000 2.063 55 F HA -0.210 4.314 4.527 -0.005 0.000 0.298 55 F C -0.422 175.357 175.800 -0.034 0.000 1.109 55 F CA 2.083 60.059 58.000 -0.041 0.000 1.212 55 F CB -1.505 37.469 39.000 -0.043 0.000 0.973 55 F HN 0.044 nan 8.300 nan 0.000 0.480 56 P HA 0.005 nan 4.420 nan 0.000 0.233 56 P C 0.894 178.190 177.300 -0.007 0.000 1.167 56 P CA 1.619 64.796 63.100 0.129 0.000 0.770 56 P CB -0.251 31.533 31.700 0.140 0.000 0.837 57 A N -0.221 122.597 122.820 -0.003 0.000 2.169 57 A HA 0.107 4.424 4.320 -0.005 0.000 0.212 57 A C 1.292 178.856 177.584 -0.034 0.000 1.153 57 A CA 0.062 52.092 52.037 -0.011 0.000 0.756 57 A CB -0.847 18.169 19.000 0.027 0.000 0.813 57 A HN 0.154 nan 8.150 nan 0.000 0.471 58 L N 1.596 122.764 121.223 -0.093 0.000 2.361 58 L HA 0.216 4.553 4.340 -0.005 0.000 0.278 58 L C -0.190 176.592 176.870 -0.146 0.000 1.113 58 L CA -0.045 54.736 54.840 -0.098 0.000 0.849 58 L CB 0.623 42.561 42.059 -0.202 0.000 1.155 58 L HN 0.379 nan 8.230 nan 0.000 0.452 59 E N 2.454 122.594 120.200 -0.100 0.000 2.244 59 E HA 0.310 4.657 4.350 -0.005 0.000 0.266 59 E C -1.267 175.273 176.600 -0.101 0.000 0.914 59 E CA -0.902 55.356 56.400 -0.237 0.000 0.794 59 E CB 1.452 31.016 29.700 -0.227 0.000 1.210 59 E HN 0.397 nan 8.360 nan 0.000 0.414 60 W N 0.924 122.222 121.300 -0.004 0.000 2.161 60 W HA 0.334 4.990 4.660 -0.006 0.000 0.344 60 W C 0.222 176.718 176.519 -0.038 0.000 1.262 60 W CA -0.838 56.494 57.345 -0.022 0.000 1.270 60 W CB -0.451 29.006 29.460 -0.004 0.000 1.126 60 W HN 0.333 nan 8.180 nan 0.000 0.598 61 T N -1.155 113.539 114.554 0.233 0.000 2.874 61 T HA 0.276 4.623 4.350 -0.005 0.000 0.281 61 T C 0.525 175.316 174.700 0.151 0.000 0.994 61 T CA -0.478 61.684 62.100 0.103 0.000 1.015 61 T CB 1.032 69.868 68.868 -0.052 0.000 1.028 61 T HN 0.628 nan 8.240 nan 0.000 0.523 62 N N 0.213 118.963 118.700 0.082 0.000 2.333 62 N HA 0.056 4.793 4.740 -0.005 0.000 0.178 62 N C 0.405 175.934 175.510 0.031 0.000 1.018 62 N CA 0.699 53.793 53.050 0.073 0.000 0.882 62 N CB 0.187 38.701 38.487 0.046 0.000 0.984 62 N HN 0.866 nan 8.380 nan 0.000 0.434 63 T N -2.960 111.597 114.554 0.005 0.000 2.909 63 T HA 0.354 4.701 4.350 -0.005 0.000 0.299 63 T C 0.671 175.360 174.700 -0.017 0.000 1.073 63 T CA -0.757 61.343 62.100 0.002 0.000 0.999 63 T CB 1.952 70.821 68.868 0.001 0.000 1.098 63 T HN -0.153 nan 8.240 nan 0.000 0.477 64 M N 0.746 120.346 119.600 0.001 0.000 2.460 64 M HA -0.036 4.441 4.480 -0.005 0.000 0.263 64 M C 1.797 178.117 176.300 0.034 0.000 1.071 64 M CA 1.337 56.631 55.300 -0.009 0.000 1.096 64 M CB -0.435 32.183 32.600 0.030 0.000 1.408 64 M HN 0.773 nan 8.290 nan 0.000 0.463 65 E N 0.252 120.489 120.200 0.062 0.000 2.338 65 E HA -0.138 4.209 4.350 -0.005 0.000 0.197 65 E C 1.354 178.054 176.600 0.167 0.000 1.007 65 E CA 0.640 57.120 56.400 0.133 0.000 0.849 65 E CB -0.023 29.722 29.700 0.074 0.000 0.774 65 E HN 0.527 nan 8.360 nan 0.000 0.506 66 R N 0.312 120.810 120.500 -0.002 0.000 2.388 66 R HA 0.177 4.513 4.340 -0.005 0.000 0.247 66 R C 0.524 176.570 176.300 -0.423 0.000 0.931 66 R CA 0.282 56.328 56.100 -0.090 0.000 1.082 66 R CB 0.887 31.110 30.300 -0.128 0.000 1.135 66 R HN 0.116 nan 8.270 nan 0.000 0.525 67 G N 0.674 108.957 108.800 -0.861 0.000 2.549 67 G HA2 -0.199 3.758 3.960 -0.005 0.000 0.404 67 G HA3 -0.199 3.758 3.960 -0.005 0.000 0.404 67 G C -0.475 173.958 174.900 -0.778 0.000 1.292 67 G CA -0.311 43.791 45.100 -1.663 0.000 0.935 67 G HN 0.153 nan 8.290 nan 0.000 0.512 68 D N -0.544 119.381 120.400 -0.792 0.000 2.379 68 D HA 0.228 4.865 4.640 -0.005 0.000 0.218 68 D C 1.049 177.117 176.300 -0.388 0.000 1.006 68 D CA 0.971 54.570 54.000 -0.668 0.000 0.893 68 D CB 0.787 40.726 40.800 -1.435 0.000 1.019 68 D HN 0.311 nan 8.370 nan 0.000 0.503 69 L N 0.795 121.832 121.223 -0.310 0.000 2.424 69 L HA 0.434 4.770 4.340 -0.005 0.000 0.258 69 L C -1.476 175.461 176.870 0.110 0.000 0.995 69 L CA -1.110 53.727 54.840 -0.004 0.000 0.821 69 L CB 2.560 44.688 42.059 0.115 0.000 1.383 69 L HN -0.156 nan 8.230 nan 0.000 0.410 70 L N 0.930 122.242 121.223 0.148 0.000 2.479 70 L HA 0.752 5.089 4.340 -0.005 0.000 0.255 70 L C -1.243 175.779 176.870 0.252 0.000 1.026 70 L CA -0.627 54.329 54.840 0.192 0.000 0.842 70 L CB 1.868 43.960 42.059 0.055 0.000 1.444 70 L HN 0.525 nan 8.230 nan 0.000 0.409 71 I N 1.310 122.065 120.570 0.308 0.000 2.533 71 I HA 0.681 4.847 4.170 -0.005 0.000 0.290 71 I C -2.648 173.580 176.117 0.185 0.000 1.056 71 I CA -2.086 59.362 61.300 0.247 0.000 1.057 71 I CB 3.055 41.228 38.000 0.289 0.000 1.240 71 I HN 0.568 nan 8.210 nan 0.000 0.423 72 P HA 0.243 nan 4.420 nan 0.000 0.286 72 P C 0.718 177.893 177.300 -0.209 0.000 1.321 72 P CA -0.422 62.476 63.100 -0.337 0.000 0.790 72 P CB 0.635 32.192 31.700 -0.239 0.000 0.897 73 I N 5.455 125.887 120.570 -0.229 0.000 2.194 73 I HA -0.156 4.011 4.170 -0.005 0.000 0.246 73 I C -0.700 175.362 176.117 -0.093 0.000 1.093 73 I CA 1.433 62.678 61.300 -0.091 0.000 1.355 73 I CB -2.597 35.310 38.000 -0.154 0.000 1.046 73 I HN 0.305 nan 8.210 nan 0.000 0.413 74 P HA -0.164 nan 4.420 nan 0.000 0.220 74 P C 1.744 179.005 177.300 -0.066 0.000 1.144 74 P CA 1.262 64.293 63.100 -0.115 0.000 0.800 74 P CB -0.225 31.385 31.700 -0.151 0.000 0.772 75 R N -0.135 120.327 120.500 -0.062 0.000 2.189 75 R HA 0.002 4.339 4.340 -0.005 0.000 0.218 75 R C 1.754 178.059 176.300 0.008 0.000 1.074 75 R CA 0.725 56.810 56.100 -0.024 0.000 0.991 75 R CB -0.581 29.707 30.300 -0.020 0.000 0.883 75 R HN 0.208 nan 8.270 nan 0.000 0.457 76 L N 0.579 121.822 121.223 0.033 0.000 2.552 76 L HA 0.075 4.412 4.340 -0.005 0.000 0.227 76 L C 0.250 177.149 176.870 0.048 0.000 1.146 76 L CA 0.171 55.049 54.840 0.063 0.000 0.858 76 L CB -0.065 42.074 42.059 0.133 0.000 0.969 76 L HN 0.176 nan 8.230 nan 0.000 0.451 77 R N 0.529 121.044 120.500 0.025 0.000 3.336 77 R HA -0.159 4.177 4.340 -0.005 0.000 0.260 77 R C -0.329 175.987 176.300 0.027 0.000 1.032 77 R CA 0.583 56.692 56.100 0.016 0.000 0.693 77 R CB -2.555 27.753 30.300 0.013 0.000 1.134 77 R HN 0.361 nan 8.270 nan 0.000 0.433 78 I N 2.390 122.983 120.570 0.038 0.000 2.260 78 I HA 0.045 4.211 4.170 -0.005 0.000 0.297 78 I C 0.878 177.008 176.117 0.021 0.000 1.143 78 I CA -0.307 61.024 61.300 0.051 0.000 1.271 78 I CB 0.443 38.499 38.000 0.094 0.000 1.461 78 I HN -0.218 nan 8.210 nan 0.000 0.530 79 K N 4.535 124.945 120.400 0.017 0.000 2.485 79 K HA 0.066 4.383 4.320 -0.005 0.000 0.277 79 K C 1.059 177.660 176.600 0.003 0.000 0.990 79 K CA 0.330 56.621 56.287 0.005 0.000 0.994 79 K CB 0.214 32.718 32.500 0.007 0.000 0.906 79 K HN 0.894 nan 8.250 nan 0.000 0.488 80 G N 0.400 109.196 108.800 -0.007 0.000 2.295 80 G HA2 -0.126 3.831 3.960 -0.005 0.000 0.287 80 G HA3 -0.126 3.831 3.960 -0.005 0.000 0.287 80 G C -0.139 174.751 174.900 -0.017 0.000 1.055 80 G CA 0.385 45.479 45.100 -0.010 0.000 0.922 80 G HN 0.860 nan 8.290 nan 0.000 0.503 81 A N -0.361 122.441 122.820 -0.030 0.000 2.459 81 A HA 0.695 5.012 4.320 -0.005 0.000 0.296 81 A C -0.213 177.323 177.584 -0.080 0.000 1.039 81 A CA -0.367 51.639 52.037 -0.053 0.000 0.698 81 A CB 1.143 20.112 19.000 -0.051 0.000 1.261 81 A HN 0.548 nan 8.150 nan 0.000 0.405 82 N N 2.879 121.524 118.700 -0.092 0.000 2.420 82 N HA 0.184 4.921 4.740 -0.005 0.000 0.262 82 N C -1.816 173.602 175.510 -0.152 0.000 1.144 82 N CA -1.406 51.583 53.050 -0.101 0.000 0.952 82 N CB 1.318 39.754 38.487 -0.084 0.000 1.081 82 N HN 0.206 nan 8.380 nan 0.000 0.480 83 P HA -0.130 nan 4.420 nan 0.000 0.216 83 P C 0.823 178.001 177.300 -0.204 0.000 1.150 83 P CA 1.569 64.550 63.100 -0.199 0.000 0.843 83 P CB 0.355 31.950 31.700 -0.177 0.000 0.787 84 K N -0.750 119.565 120.400 -0.143 0.000 2.097 84 K HA -0.116 4.200 4.320 -0.005 0.000 0.205 84 K C 1.591 178.112 176.600 -0.132 0.000 1.050 84 K CA 1.293 57.515 56.287 -0.109 0.000 0.938 84 K CB -0.457 32.005 32.500 -0.064 0.000 0.718 84 K HN 0.206 nan 8.250 nan 0.000 0.442 85 D N 1.141 121.450 120.400 -0.153 0.000 2.123 85 D HA -0.094 4.543 4.640 -0.005 0.000 0.200 85 D C 2.058 178.201 176.300 -0.262 0.000 0.976 85 D CA 0.871 54.776 54.000 -0.158 0.000 0.831 85 D CB -0.150 40.573 40.800 -0.129 0.000 0.974 85 D HN 0.107 nan 8.370 nan 0.000 0.469 86 L N 1.081 122.054 121.223 -0.416 0.000 2.042 86 L HA -0.192 4.145 4.340 -0.005 0.000 0.210 86 L C 2.650 179.068 176.870 -0.753 0.000 1.076 86 L CA 1.186 55.518 54.840 -0.845 0.000 0.749 86 L CB -0.498 40.867 42.059 -1.157 0.000 0.893 86 L HN -0.022 nan 8.230 nan 0.000 0.432 87 A N -0.330 122.244 122.820 -0.410 0.000 1.883 87 A HA -0.176 4.140 4.320 -0.005 0.000 0.217 87 A C 2.332 179.873 177.584 -0.073 0.000 1.186 87 A CA 2.048 53.984 52.037 -0.168 0.000 0.624 87 A CB -0.868 18.075 19.000 -0.094 0.000 0.822 87 A HN 0.213 nan 8.150 nan 0.000 0.444 88 V N -0.109 119.750 119.914 -0.091 0.000 2.358 88 V HA -0.298 3.819 4.120 -0.005 0.000 0.246 88 V C 2.659 178.758 176.094 0.009 0.000 1.047 88 V CA 2.225 64.508 62.300 -0.029 0.000 1.035 88 V CB -0.891 30.911 31.823 -0.036 0.000 0.658 88 V HN 0.657 nan 8.190 nan 0.000 0.452 89 Q N -1.271 118.504 119.800 -0.042 0.000 2.020 89 Q HA -0.211 4.126 4.340 -0.005 0.000 0.202 89 Q C 2.223 178.370 176.000 0.246 0.000 0.982 89 Q CA 1.989 57.822 55.803 0.049 0.000 0.838 89 Q CB -0.265 28.459 28.738 -0.023 0.000 0.899 89 Q HN 0.667 nan 8.270 nan 0.000 0.423 90 W N 0.317 121.668 121.300 0.085 0.000 2.388 90 W HA 0.035 4.691 4.660 -0.006 0.000 0.294 90 W C 2.355 179.003 176.519 0.216 0.000 1.212 90 W CA 0.709 58.141 57.345 0.145 0.000 1.271 90 W CB -0.981 28.579 29.460 0.167 0.000 1.126 90 W HN 0.200 nan 8.180 nan 0.000 0.535 91 A N 0.043 123.077 122.820 0.356 0.000 1.898 91 A HA -0.205 4.112 4.320 -0.005 0.000 0.216 91 A C 1.969 179.693 177.584 0.233 0.000 1.181 91 A CA 1.744 53.928 52.037 0.245 0.000 0.620 91 A CB -0.871 18.182 19.000 0.088 0.000 0.819 91 A HN 0.344 nan 8.150 nan 0.000 0.442 92 E N 0.431 120.740 120.200 0.182 0.000 2.118 92 E HA -0.236 4.111 4.350 -0.005 0.000 0.195 92 E C 1.491 178.186 176.600 0.159 0.000 0.992 92 E CA 1.627 58.112 56.400 0.141 0.000 0.804 92 E CB -0.077 29.685 29.700 0.104 0.000 0.741 92 E HN 0.786 nan 8.360 nan 0.000 0.458 93 K N -0.852 119.662 120.400 0.190 0.000 2.373 93 K HA 0.095 4.412 4.320 -0.005 0.000 0.202 93 K C -0.044 176.642 176.600 0.144 0.000 1.025 93 K CA -0.462 55.911 56.287 0.142 0.000 1.115 93 K CB 0.046 32.607 32.500 0.102 0.000 0.858 93 K HN -0.092 nan 8.250 nan 0.000 0.525 94 F N 5.165 125.189 119.950 0.124 0.000 2.541 94 F HA 0.130 4.654 4.527 -0.006 0.000 0.378 94 F C -1.763 174.117 175.800 0.135 0.000 1.068 94 F CA -2.371 55.711 58.000 0.136 0.000 1.199 94 F CB 0.552 39.682 39.000 0.216 0.000 1.091 94 F HN 0.071 nan 8.300 nan 0.000 0.555 95 P HA 0.082 nan 4.420 nan 0.000 0.276 95 P C -0.074 177.480 177.300 0.423 0.000 1.253 95 P CA -0.110 63.084 63.100 0.158 0.000 0.766 95 P CB 1.201 32.895 31.700 -0.011 0.000 0.845 96 C N 2.640 122.162 119.300 0.371 0.000 2.519 96 C HA 0.242 4.699 4.460 -0.005 0.000 0.281 96 C C 1.854 177.013 174.990 0.281 0.000 1.331 96 C CA 1.387 60.632 59.018 0.379 0.000 1.725 96 C CB -1.342 26.557 27.740 0.266 0.000 2.079 96 C HN 0.905 nan 8.230 nan 0.000 0.496 97 G N 1.171 110.098 108.800 0.211 0.000 2.582 97 G HA2 -0.280 3.677 3.960 -0.005 0.000 0.288 97 G HA3 -0.280 3.677 3.960 -0.005 0.000 0.288 97 G C 0.053 174.990 174.900 0.062 0.000 1.247 97 G CA 0.740 45.934 45.100 0.157 0.000 0.972 97 G HN 0.403 nan 8.290 nan 0.000 0.557 98 D N 0.085 120.453 120.400 -0.053 0.000 2.349 98 D HA 0.234 4.871 4.640 -0.005 0.000 0.214 98 D C 2.095 178.017 176.300 -0.630 0.000 1.063 98 D CA 0.360 54.219 54.000 -0.234 0.000 0.847 98 D CB 0.047 40.712 40.800 -0.225 0.000 0.933 98 D HN 0.261 nan 8.370 nan 0.000 0.513 99 F N 0.408 119.908 119.950 -0.749 0.000 2.149 99 F HA 0.023 4.547 4.527 -0.005 0.000 0.294 99 F C 0.944 176.551 175.800 -0.321 0.000 1.095 99 F CA 0.473 57.893 58.000 -0.966 0.000 1.276 99 F CB 0.040 38.302 39.000 -1.229 0.000 1.023 99 F HN -0.136 nan 8.300 nan 0.000 0.480 100 L N -0.221 121.075 121.223 0.122 0.000 2.334 100 L HA 0.255 4.592 4.340 -0.005 0.000 0.273 100 L C 1.195 178.196 176.870 0.220 0.000 1.013 100 L CA -0.595 54.408 54.840 0.272 0.000 0.816 100 L CB 1.326 43.616 42.059 0.384 0.000 1.278 100 L HN 0.020 nan 8.230 nan 0.000 0.431 101 E N 1.996 122.342 120.200 0.243 0.000 2.170 101 E HA 0.011 4.358 4.350 -0.005 0.000 0.191 101 E C -0.328 176.351 176.600 0.133 0.000 0.981 101 E CA 0.665 57.165 56.400 0.167 0.000 0.830 101 E CB 0.592 30.388 29.700 0.159 0.000 0.775 101 E HN 0.645 nan 8.360 nan 0.000 0.470 102 K N -1.641 118.868 120.400 0.181 0.000 2.660 102 K HA 0.394 4.710 4.320 -0.005 0.000 0.285 102 K C -1.585 175.130 176.600 0.191 0.000 0.997 102 K CA -0.885 55.473 56.287 0.119 0.000 0.861 102 K CB 1.737 34.204 32.500 -0.055 0.000 1.469 102 K HN -0.137 nan 8.250 nan 0.000 0.395 103 V N 1.278 121.257 119.914 0.108 0.000 2.577 103 V HA 0.441 4.557 4.120 -0.005 0.000 0.303 103 V C -1.068 175.011 176.094 -0.025 0.000 1.042 103 V CA -0.543 61.752 62.300 -0.007 0.000 0.872 103 V CB 1.605 33.399 31.823 -0.048 0.000 0.998 103 V HN 0.795 nan 8.190 nan 0.000 0.423 104 E N 2.649 122.811 120.200 -0.063 0.000 2.292 104 E HA 0.731 5.078 4.350 -0.005 0.000 0.272 104 E C -0.703 175.867 176.600 -0.049 0.000 0.881 104 E CA -0.842 55.543 56.400 -0.025 0.000 0.754 104 E CB 2.729 32.441 29.700 0.020 0.000 1.201 104 E HN 0.777 nan 8.360 nan 0.000 0.425 105 A N 3.057 125.866 122.820 -0.018 0.000 2.327 105 A HA 0.412 4.729 4.320 -0.005 0.000 0.283 105 A C -0.106 177.490 177.584 0.020 0.000 1.127 105 A CA -0.409 51.627 52.037 -0.003 0.000 0.810 105 A CB 0.382 19.382 19.000 -0.002 0.000 1.066 105 A HN 0.560 nan 8.150 nan 0.000 0.492 106 N N 1.362 120.096 118.700 0.056 0.000 2.664 106 N HA 0.428 5.165 4.740 -0.005 0.000 0.268 106 N C 0.296 175.894 175.510 0.147 0.000 1.222 106 N CA 0.882 53.971 53.050 0.065 0.000 0.805 106 N CB 1.008 39.512 38.487 0.029 0.000 1.399 106 N HN 1.572 nan 8.380 nan 0.000 0.547 107 G N 4.596 113.460 108.800 0.107 0.000 2.547 107 G HA2 -0.274 3.683 3.960 -0.005 0.000 0.271 107 G HA3 -0.274 3.683 3.960 -0.005 0.000 0.271 107 G C -2.120 172.848 174.900 0.113 0.000 1.209 107 G CA -0.104 45.077 45.100 0.135 0.000 0.959 107 G HN 0.475 nan 8.290 nan 0.000 0.563 108 P HA 0.339 nan 4.420 nan 0.000 0.253 108 P C -0.144 176.946 177.300 -0.349 0.000 1.281 108 P CA 0.546 63.527 63.100 -0.199 0.000 0.792 108 P CB -0.205 31.286 31.700 -0.349 0.000 1.193 109 F N -0.631 119.296 119.950 -0.039 0.000 2.598 109 F HA 0.503 5.027 4.527 -0.006 0.000 0.327 109 F C 0.502 176.262 175.800 -0.066 0.000 1.057 109 F CA -1.401 56.578 58.000 -0.034 0.000 0.957 109 F CB 1.109 40.088 39.000 -0.035 0.000 1.278 109 F HN -0.397 nan 8.300 nan 0.000 0.484 110 I N 1.506 122.143 120.570 0.111 0.000 2.447 110 I HA 0.320 4.487 4.170 -0.005 0.000 0.287 110 I C -1.084 174.805 176.117 -0.379 0.000 1.023 110 I CA -0.677 60.529 61.300 -0.155 0.000 1.083 110 I CB 1.820 39.703 38.000 -0.195 0.000 1.245 110 I HN 0.514 nan 8.210 nan 0.000 0.434 111 Q N 5.677 125.244 119.800 -0.389 0.000 2.271 111 Q HA 0.547 4.884 4.340 -0.005 0.000 0.258 111 Q C -1.479 174.181 176.000 -0.566 0.000 0.936 111 Q CA -0.535 55.047 55.803 -0.369 0.000 0.909 111 Q CB 2.100 30.771 28.738 -0.112 0.000 1.253 111 Q HN 0.395 nan 8.270 nan 0.000 0.440 112 F N 1.906 121.755 119.950 -0.168 0.000 2.426 112 F HA 0.421 4.945 4.527 -0.005 0.000 0.348 112 F C -0.598 175.040 175.800 -0.269 0.000 1.124 112 F CA -0.738 57.198 58.000 -0.106 0.000 1.008 112 F CB 0.790 39.743 39.000 -0.079 0.000 1.139 112 F HN 0.412 nan 8.300 nan 0.000 0.452 113 F N 3.937 123.923 119.950 0.062 0.000 2.361 113 F HA 0.448 4.972 4.527 -0.005 0.000 0.364 113 F C -0.239 175.668 175.800 0.178 0.000 1.117 113 F CA -1.079 56.920 58.000 -0.002 0.000 1.071 113 F CB 0.440 39.447 39.000 0.011 0.000 1.188 113 F HN 0.175 nan 8.300 nan 0.000 0.464 114 F N 1.605 121.698 119.950 0.239 0.000 2.496 114 F HA 0.056 4.579 4.527 -0.006 0.000 0.344 114 F C 0.978 176.900 175.800 0.203 0.000 1.155 114 F CA -0.983 57.143 58.000 0.210 0.000 1.302 114 F CB 0.177 39.291 39.000 0.190 0.000 1.159 114 F HN 0.353 nan 8.300 nan 0.000 0.595 115 N N 3.457 122.379 118.700 0.371 0.000 2.401 115 N HA 0.162 4.899 4.740 -0.005 0.000 0.255 115 N C -2.041 173.628 175.510 0.266 0.000 1.110 115 N CA -1.951 51.251 53.050 0.252 0.000 0.949 115 N CB 1.112 39.694 38.487 0.158 0.000 1.110 115 N HN 0.100 nan 8.380 nan 0.000 0.490 116 P HA -0.159 nan 4.420 nan 0.000 0.216 116 P C 1.139 178.503 177.300 0.106 0.000 1.150 116 P CA 1.209 64.404 63.100 0.159 0.000 0.837 116 P CB 0.330 32.105 31.700 0.125 0.000 0.786 117 Q N -1.601 118.268 119.800 0.115 0.000 2.124 117 Q HA -0.184 4.153 4.340 -0.005 0.000 0.202 117 Q C 1.906 177.950 176.000 0.074 0.000 0.977 117 Q CA 1.214 57.071 55.803 0.090 0.000 0.850 117 Q CB -0.623 28.176 28.738 0.102 0.000 0.901 117 Q HN 0.134 nan 8.270 nan 0.000 0.429 118 F N 0.407 120.329 119.950 -0.048 0.000 2.146 118 F HA -0.134 4.390 4.527 -0.006 0.000 0.298 118 F C 1.541 177.261 175.800 -0.133 0.000 1.096 118 F CA 1.202 59.128 58.000 -0.124 0.000 1.275 118 F CB -0.116 38.770 39.000 -0.191 0.000 1.008 118 F HN 0.050 nan 8.300 nan 0.000 0.480 119 L N -0.045 121.162 121.223 -0.027 0.000 2.017 119 L HA -0.210 4.127 4.340 -0.005 0.000 0.208 119 L C 2.837 179.560 176.870 -0.246 0.000 1.073 119 L CA 1.232 56.001 54.840 -0.119 0.000 0.745 119 L CB -1.358 40.741 42.059 0.067 0.000 0.894 119 L HN 0.253 nan 8.230 nan 0.000 0.432 120 A N 0.388 123.070 122.820 -0.229 0.000 1.883 120 A HA -0.246 4.071 4.320 -0.005 0.000 0.217 120 A C 2.297 179.433 177.584 -0.747 0.000 1.186 120 A CA 1.886 53.672 52.037 -0.419 0.000 0.624 120 A CB -0.430 18.400 19.000 -0.282 0.000 0.822 120 A HN 0.345 nan 8.150 nan 0.000 0.444 121 K N -1.223 118.860 120.400 -0.529 0.000 2.152 121 K HA -0.097 4.220 4.320 -0.005 0.000 0.206 121 K C 1.547 177.902 176.600 -0.410 0.000 1.048 121 K CA 1.308 57.339 56.287 -0.427 0.000 0.933 121 K CB -0.222 32.165 32.500 -0.189 0.000 0.721 121 K HN 0.350 nan 8.250 nan 0.000 0.447 122 L N -0.776 120.173 121.223 -0.456 0.000 2.269 122 L HA -0.033 4.304 4.340 -0.005 0.000 0.200 122 L C 2.054 178.773 176.870 -0.252 0.000 1.069 122 L CA 0.741 55.375 54.840 -0.345 0.000 0.804 122 L CB -0.319 41.486 42.059 -0.424 0.000 0.987 122 L HN -0.158 nan 8.230 nan 0.000 0.468 123 V N -0.077 119.683 119.914 -0.257 0.000 2.295 123 V HA -0.276 3.840 4.120 -0.005 0.000 0.246 123 V C 2.358 178.293 176.094 -0.265 0.000 1.049 123 V CA 1.916 64.109 62.300 -0.178 0.000 1.024 123 V CB -0.396 31.362 31.823 -0.109 0.000 0.648 123 V HN 0.285 nan 8.190 nan 0.000 0.447 124 I N 0.075 120.429 120.570 -0.361 0.000 2.142 124 I HA -0.167 3.999 4.170 -0.005 0.000 0.240 124 I C -0.153 175.851 176.117 -0.188 0.000 1.078 124 I CA 1.811 62.918 61.300 -0.322 0.000 1.343 124 I CB -1.438 36.279 38.000 -0.471 0.000 1.046 124 I HN 0.356 nan 8.210 nan 0.000 0.405 125 P HA -0.165 nan 4.420 nan 0.000 0.218 125 P C 1.059 178.337 177.300 -0.036 0.000 1.149 125 P CA 1.458 64.548 63.100 -0.017 0.000 0.817 125 P CB -0.009 31.699 31.700 0.014 0.000 0.785 126 D N -0.635 119.719 120.400 -0.077 0.000 2.117 126 D HA -0.124 4.513 4.640 -0.005 0.000 0.198 126 D C 1.788 178.051 176.300 -0.060 0.000 0.982 126 D CA 1.025 55.011 54.000 -0.023 0.000 0.828 126 D CB -0.623 40.199 40.800 0.036 0.000 0.967 126 D HN 0.052 nan 8.370 nan 0.000 0.464 127 I N -0.256 120.154 120.570 -0.267 0.000 2.252 127 I HA -0.211 3.956 4.170 -0.005 0.000 0.245 127 I C 1.893 177.941 176.117 -0.116 0.000 1.102 127 I CA 0.390 61.453 61.300 -0.394 0.000 1.385 127 I CB -0.077 37.574 38.000 -0.582 0.000 1.064 127 I HN 0.106 nan 8.210 nan 0.000 0.414 128 L N 0.159 121.351 121.223 -0.052 0.000 2.217 128 L HA -0.116 4.221 4.340 -0.005 0.000 0.211 128 L C 2.437 179.315 176.870 0.013 0.000 1.107 128 L CA 1.852 56.706 54.840 0.024 0.000 0.783 128 L CB -1.256 40.861 42.059 0.097 0.000 0.919 128 L HN 0.215 nan 8.230 nan 0.000 0.442 129 T N -1.340 113.222 114.554 0.013 0.000 2.866 129 T HA -0.029 4.318 4.350 -0.005 0.000 0.250 129 T C 1.962 176.684 174.700 0.036 0.000 1.033 129 T CA 0.720 62.832 62.100 0.020 0.000 1.145 129 T CB 0.066 68.949 68.868 0.024 0.000 0.866 129 T HN 0.241 nan 8.240 nan 0.000 0.434 130 R N 0.895 121.434 120.500 0.064 0.000 2.193 130 R HA 0.140 4.477 4.340 -0.005 0.000 0.213 130 R C 1.156 177.521 176.300 0.110 0.000 1.055 130 R CA 0.330 56.489 56.100 0.098 0.000 0.995 130 R CB -0.073 30.320 30.300 0.155 0.000 0.893 130 R HN 0.356 nan 8.270 nan 0.000 0.459 131 K N 0.260 120.717 120.400 0.095 0.000 1.804 131 K HA -0.298 4.018 4.320 -0.005 0.000 0.138 131 K C 1.318 178.023 176.600 0.175 0.000 0.925 131 K CA 2.211 58.558 56.287 0.100 0.000 0.308 131 K CB -1.093 31.440 32.500 0.054 0.000 0.710 131 K HN 0.303 nan 8.250 nan 0.000 0.806 132 E N 1.853 122.156 120.200 0.171 0.000 2.401 132 E HA -0.182 4.165 4.350 -0.005 0.000 0.199 132 E C 0.598 177.311 176.600 0.189 0.000 1.023 132 E CA 1.756 58.283 56.400 0.212 0.000 0.859 132 E CB -0.126 29.697 29.700 0.204 0.000 0.780 132 E HN 0.412 nan 8.360 nan 0.000 0.523 133 D N -0.170 120.330 120.400 0.167 0.000 2.340 133 D HA -0.023 4.614 4.640 -0.005 0.000 0.217 133 D C 1.202 177.605 176.300 0.170 0.000 1.081 133 D CA -0.219 53.862 54.000 0.134 0.000 0.842 133 D CB -0.264 40.591 40.800 0.091 0.000 0.934 133 D HN 0.126 nan 8.370 nan 0.000 0.511 134 Y N 2.318 122.684 120.300 0.110 0.000 2.030 134 Y HA -0.238 4.309 4.550 -0.005 0.000 0.272 134 Y C 2.056 178.030 175.900 0.124 0.000 1.185 134 Y CA 2.215 60.387 58.100 0.119 0.000 1.120 134 Y CB -0.598 37.949 38.460 0.144 0.000 0.955 134 Y HN -0.011 nan 8.280 nan 0.000 0.495 135 G N -0.141 108.550 108.800 -0.181 0.000 3.371 135 G HA2 0.226 4.183 3.960 -0.005 0.000 0.248 135 G HA3 0.226 4.183 3.960 -0.005 0.000 0.248 135 G C 0.258 175.010 174.900 -0.247 0.000 1.161 135 G CA 0.314 45.176 45.100 -0.398 0.000 0.796 135 G HN 0.557 nan 8.290 nan 0.000 0.539 136 S N -1.142 114.484 115.700 -0.124 0.000 2.661 136 S HA 0.675 5.142 4.470 -0.005 0.000 0.265 136 S C -0.191 174.324 174.600 -0.142 0.000 1.225 136 S CA -0.615 57.522 58.200 -0.106 0.000 0.986 136 S CB 1.633 64.813 63.200 -0.034 0.000 1.008 136 S HN 0.138 nan 8.310 nan 0.000 0.565 137 C N 0.003 119.221 119.300 -0.135 0.000 3.239 137 C HA 0.730 5.187 4.460 -0.005 0.000 0.317 137 C C -1.019 173.905 174.990 -0.110 0.000 1.310 137 C CA -0.906 57.999 59.018 -0.188 0.000 1.371 137 C CB 2.144 29.687 27.740 -0.329 0.000 1.714 137 C HN 0.866 nan 8.230 nan 0.000 0.473 138 K N 1.525 121.862 120.400 -0.104 0.000 2.318 138 K HA 0.708 5.025 4.320 -0.005 0.000 0.249 138 K C -1.133 175.429 176.600 -0.063 0.000 0.942 138 K CA -0.379 55.872 56.287 -0.059 0.000 0.808 138 K CB 1.718 34.197 32.500 -0.035 0.000 1.189 138 K HN 0.587 nan 8.250 nan 0.000 0.428 139 L N 2.241 123.419 121.223 -0.074 0.000 2.334 139 L HA 0.256 4.593 4.340 -0.005 0.000 0.277 139 L C 1.754 178.583 176.870 -0.068 0.000 1.075 139 L CA -0.636 54.148 54.840 -0.095 0.000 0.804 139 L CB 1.283 43.225 42.059 -0.195 0.000 1.174 139 L HN 0.323 nan 8.230 nan 0.000 0.438 140 V N 0.723 120.606 119.914 -0.051 0.000 2.343 140 V HA -0.181 3.936 4.120 -0.005 0.000 0.247 140 V C 0.858 176.920 176.094 -0.054 0.000 1.051 140 V CA 1.494 63.771 62.300 -0.038 0.000 1.036 140 V CB -0.872 30.935 31.823 -0.027 0.000 0.654 140 V HN 0.935 nan 8.190 nan 0.000 0.451 141 E N 0.825 120.977 120.200 -0.081 0.000 2.222 141 E HA 0.272 4.619 4.350 -0.005 0.000 0.267 141 E C -0.458 176.064 176.600 -0.130 0.000 0.884 141 E CA -0.853 55.495 56.400 -0.087 0.000 0.764 141 E CB 1.133 30.787 29.700 -0.078 0.000 1.169 141 E HN 0.200 nan 8.360 nan 0.000 0.413 142 N N 3.159 121.797 118.700 -0.103 0.000 2.411 142 N HA -0.047 4.690 4.740 -0.005 0.000 0.261 142 N C -1.008 174.402 175.510 -0.167 0.000 1.248 142 N CA 0.423 53.405 53.050 -0.114 0.000 0.885 142 N CB 0.467 38.921 38.487 -0.055 0.000 1.062 142 N HN 0.365 nan 8.380 nan 0.000 0.471 143 K N 3.105 123.340 120.400 -0.274 0.000 2.345 143 K HA 0.253 4.570 4.320 -0.005 0.000 0.255 143 K C -0.484 176.074 176.600 -0.069 0.000 0.934 143 K CA -0.556 55.492 56.287 -0.399 0.000 0.801 143 K CB 1.971 33.737 32.500 -1.222 0.000 1.137 143 K HN 0.549 nan 8.250 nan 0.000 0.424 144 K N 2.207 122.699 120.400 0.154 0.000 2.323 144 K HA 0.428 4.744 4.320 -0.005 0.000 0.259 144 K C -1.320 175.529 176.600 0.416 0.000 0.947 144 K CA -0.646 55.811 56.287 0.282 0.000 0.819 144 K CB 1.747 34.355 32.500 0.181 0.000 1.109 144 K HN 0.329 nan 8.250 nan 0.000 0.429 145 V N 6.477 126.580 119.914 0.314 0.000 2.656 145 V HA 0.496 4.613 4.120 -0.005 0.000 0.307 145 V C -0.904 175.081 176.094 -0.181 0.000 1.051 145 V CA -0.845 61.473 62.300 0.030 0.000 0.893 145 V CB 1.574 33.199 31.823 -0.331 0.000 0.999 145 V HN 0.760 nan 8.190 nan 0.000 0.426 146 I N 7.384 127.768 120.570 -0.310 0.000 2.321 146 I HA 0.456 4.623 4.170 -0.005 0.000 0.291 146 I C -0.507 175.363 176.117 -0.412 0.000 0.998 146 I CA -0.325 60.737 61.300 -0.396 0.000 1.227 146 I CB 1.506 39.198 38.000 -0.515 0.000 1.368 146 I HN 0.460 nan 8.210 nan 0.000 0.466 147 I N 6.495 126.888 120.570 -0.296 0.000 2.382 147 I HA 0.253 4.420 4.170 -0.005 0.000 0.286 147 I C 0.058 176.187 176.117 0.021 0.000 1.002 147 I CA -0.420 60.750 61.300 -0.218 0.000 1.135 147 I CB 1.462 39.302 38.000 -0.266 0.000 1.288 147 I HN 0.574 nan 8.210 nan 0.000 0.448 148 E N 8.109 128.273 120.200 -0.061 0.000 2.109 148 E HA 0.445 4.792 4.350 -0.005 0.000 0.278 148 E C -1.609 175.148 176.600 0.262 0.000 0.954 148 E CA -0.486 55.912 56.400 -0.003 0.000 0.779 148 E CB 0.977 30.527 29.700 -0.249 0.000 1.093 148 E HN 0.434 nan 8.360 nan 0.000 0.401 149 F N 1.836 121.802 119.950 0.027 0.000 2.626 149 F HA 0.570 5.093 4.527 -0.006 0.000 0.311 149 F C 0.691 176.560 175.800 0.115 0.000 1.088 149 F CA -0.646 57.413 58.000 0.099 0.000 0.949 149 F CB 1.071 40.122 39.000 0.085 0.000 1.322 149 F HN 0.463 nan 8.300 nan 0.000 0.461 150 S N 0.575 116.433 115.700 0.264 0.000 4.083 150 S HA -0.299 4.168 4.470 -0.005 0.000 0.252 150 S C 0.618 175.267 174.600 0.081 0.000 1.833 150 S CA 1.910 60.224 58.200 0.189 0.000 4.169 150 S CB -1.978 61.351 63.200 0.216 0.000 0.304 150 S HN 2.177 nan 8.310 nan 0.000 0.456 151 S N 2.588 118.254 115.700 -0.056 0.000 3.336 151 S HA -0.121 4.345 4.470 -0.005 0.000 0.362 151 S C -1.812 172.785 174.600 -0.005 0.000 0.941 151 S CA 1.084 59.263 58.200 -0.036 0.000 1.297 151 S CB -1.181 62.086 63.200 0.112 0.000 0.915 151 S HN 0.835 nan 8.310 nan 0.000 0.527 152 P HA 0.274 nan 4.420 nan 0.000 0.276 152 P C -0.495 176.796 177.300 -0.015 0.000 1.261 152 P CA -0.639 62.421 63.100 -0.067 0.000 0.800 152 P CB 0.640 32.157 31.700 -0.305 0.000 1.066 153 N N 0.960 119.663 118.700 0.006 0.000 2.422 153 N HA 0.119 4.855 4.740 -0.005 0.000 0.264 153 N C 1.402 176.958 175.510 0.077 0.000 1.063 153 N CA -0.347 52.715 53.050 0.021 0.000 0.959 153 N CB 0.557 39.035 38.487 -0.015 0.000 1.087 153 N HN 0.445 nan 8.380 nan 0.000 0.483 154 I N -1.007 119.651 120.570 0.147 0.000 2.761 154 I HA -0.191 3.975 4.170 -0.005 0.000 0.266 154 I C 1.344 177.542 176.117 0.134 0.000 1.239 154 I CA 1.179 62.621 61.300 0.237 0.000 1.451 154 I CB -0.189 37.949 38.000 0.230 0.000 1.096 154 I HN 0.294 nan 8.210 nan 0.000 0.465 155 A N 0.406 123.243 122.820 0.028 0.000 2.251 155 A HA 0.207 4.524 4.320 -0.005 0.000 0.209 155 A C 0.596 178.154 177.584 -0.042 0.000 1.187 155 A CA 0.366 52.344 52.037 -0.100 0.000 0.823 155 A CB -0.137 18.615 19.000 -0.413 0.000 0.846 155 A HN 0.417 nan 8.150 nan 0.000 0.486 156 K N -0.190 120.198 120.400 -0.020 0.000 2.426 156 K HA 0.595 4.912 4.320 -0.005 0.000 0.251 156 K C -3.186 173.333 176.600 -0.135 0.000 0.941 156 K CA -2.060 54.171 56.287 -0.093 0.000 0.808 156 K CB 1.327 33.798 32.500 -0.048 0.000 1.265 156 K HN -0.139 nan 8.250 nan 0.000 0.432 157 P HA 0.201 nan 4.420 nan 0.000 0.274 157 P C -0.808 176.456 177.300 -0.060 0.000 1.237 157 P CA -0.404 62.693 63.100 -0.006 0.000 0.793 157 P CB 0.345 32.098 31.700 0.088 0.000 0.977 158 F N 1.663 121.433 119.950 -0.300 0.000 2.467 158 F HA 0.190 4.714 4.527 -0.005 0.000 0.362 158 F C 1.451 177.090 175.800 -0.267 0.000 1.090 158 F CA 0.290 57.986 58.000 -0.507 0.000 1.202 158 F CB -0.470 38.353 39.000 -0.294 0.000 1.113 158 F HN 0.409 nan 8.300 nan 0.000 0.541 159 H N 0.684 119.741 119.070 -0.022 0.000 2.649 159 H HA 0.706 5.259 4.556 -0.006 0.000 0.337 159 H C 0.930 176.238 175.328 -0.033 0.000 1.282 159 H CA -0.784 55.160 56.048 -0.173 0.000 1.333 159 H CB -0.030 29.520 29.762 -0.354 0.000 1.787 159 H HN 0.487 nan 8.280 nan 0.000 0.632 160 A N 0.252 123.126 122.820 0.090 0.000 1.958 160 A HA -0.183 4.134 4.320 -0.005 0.000 0.221 160 A C 2.391 180.075 177.584 0.167 0.000 1.178 160 A CA 2.286 54.359 52.037 0.060 0.000 0.642 160 A CB -1.841 17.074 19.000 -0.142 0.000 0.816 160 A HN 0.926 nan 8.150 nan 0.000 0.453 161 G N -1.547 107.481 108.800 0.380 0.000 2.422 161 G HA2 -0.231 3.726 3.960 -0.005 0.000 0.218 161 G HA3 -0.231 3.726 3.960 -0.005 0.000 0.218 161 G C 1.288 176.192 174.900 0.008 0.000 1.146 161 G CA 1.229 46.459 45.100 0.218 0.000 0.769 161 G HN 0.729 nan 8.290 nan 0.000 0.547 162 H N -0.684 118.272 119.070 -0.190 0.000 2.521 162 H HA 0.065 4.617 4.556 -0.005 0.000 0.286 162 H C 2.208 177.507 175.328 -0.047 0.000 1.034 162 H CA 0.738 56.621 56.048 -0.275 0.000 1.278 162 H CB 0.016 29.366 29.762 -0.686 0.000 1.386 162 H HN 0.318 nan 8.280 nan 0.000 0.567 163 L N 0.742 122.040 121.223 0.125 0.000 2.042 163 L HA -0.188 4.149 4.340 -0.005 0.000 0.210 163 L C 2.085 178.973 176.870 0.029 0.000 1.076 163 L CA 1.518 56.439 54.840 0.135 0.000 0.749 163 L CB -0.219 41.924 42.059 0.140 0.000 0.893 163 L HN 0.115 nan 8.230 nan 0.000 0.432 164 R N -0.758 119.669 120.500 -0.121 0.000 2.132 164 R HA -0.234 4.103 4.340 -0.005 0.000 0.233 164 R C 2.438 178.427 176.300 -0.519 0.000 1.125 164 R CA 1.945 57.799 56.100 -0.409 0.000 0.914 164 R CB -1.429 28.388 30.300 -0.805 0.000 0.845 164 R HN 0.494 nan 8.270 nan 0.000 0.431 165 S N -0.080 115.258 115.700 -0.603 0.000 2.387 165 S HA -0.166 4.301 4.470 -0.005 0.000 0.230 165 S C 1.892 176.585 174.600 0.155 0.000 1.035 165 S CA 2.050 60.160 58.200 -0.150 0.000 1.014 165 S CB -0.319 63.001 63.200 0.200 0.000 0.836 165 S HN 0.414 nan 8.310 nan 0.000 0.466 166 T N 3.308 117.996 114.554 0.223 0.000 2.622 166 T HA -0.104 4.242 4.350 -0.005 0.000 0.266 166 T C 1.824 176.708 174.700 0.307 0.000 1.047 166 T CA 1.871 64.228 62.100 0.428 0.000 1.159 166 T CB -0.622 68.522 68.868 0.459 0.000 0.863 166 T HN 0.766 nan 8.240 nan 0.000 0.422 167 I N -0.921 119.738 120.570 0.148 0.000 2.617 167 I HA 0.080 4.247 4.170 -0.005 0.000 0.256 167 I C 2.172 178.307 176.117 0.030 0.000 1.167 167 I CA 1.139 62.490 61.300 0.084 0.000 1.469 167 I CB -0.578 37.460 38.000 0.063 0.000 1.098 167 I HN 0.155 nan 8.210 nan 0.000 0.436 168 I N 2.344 122.911 120.570 -0.006 0.000 2.202 168 I HA -0.128 4.039 4.170 -0.005 0.000 0.242 168 I C 2.791 178.872 176.117 -0.060 0.000 1.091 168 I CA 1.650 62.963 61.300 0.021 0.000 1.368 168 I CB -0.766 37.234 38.000 0.001 0.000 1.058 168 I HN 0.358 nan 8.210 nan 0.000 0.410 169 G N 0.394 109.044 108.800 -0.249 0.000 2.418 169 G HA2 -0.176 3.781 3.960 -0.005 0.000 0.217 169 G HA3 -0.176 3.781 3.960 -0.005 0.000 0.217 169 G C 1.719 175.879 174.900 -1.233 0.000 1.158 169 G CA 0.791 45.361 45.100 -0.883 0.000 0.771 169 G HN 0.490 nan 8.290 nan 0.000 0.545 170 G N 0.609 108.926 108.800 -0.805 0.000 2.440 170 G HA2 -0.217 3.740 3.960 -0.005 0.000 0.218 170 G HA3 -0.217 3.740 3.960 -0.005 0.000 0.218 170 G C 1.614 176.375 174.900 -0.232 0.000 1.154 170 G CA 1.062 45.908 45.100 -0.423 0.000 0.767 170 G HN 0.388 nan 8.290 nan 0.000 0.552 171 F N 1.457 121.265 119.950 -0.238 0.000 2.069 171 F HA -0.017 4.506 4.527 -0.005 0.000 0.298 171 F C 2.421 178.132 175.800 -0.147 0.000 1.113 171 F CA 1.355 59.268 58.000 -0.145 0.000 1.214 171 F CB -0.509 38.433 39.000 -0.096 0.000 0.978 171 F HN 0.056 nan 8.300 nan 0.000 0.474 172 L N 0.221 121.162 121.223 -0.470 0.000 2.079 172 L HA -0.227 4.109 4.340 -0.005 0.000 0.210 172 L C 2.824 179.476 176.870 -0.362 0.000 1.081 172 L CA 1.200 55.735 54.840 -0.509 0.000 0.752 172 L CB -1.300 40.551 42.059 -0.346 0.000 0.896 172 L HN 0.351 nan 8.230 nan 0.000 0.433 173 A N 0.243 122.822 122.820 -0.401 0.000 1.873 173 A HA -0.196 4.120 4.320 -0.005 0.000 0.215 173 A C 2.055 179.529 177.584 -0.185 0.000 1.186 173 A CA 1.801 53.665 52.037 -0.287 0.000 0.616 173 A CB -0.507 18.310 19.000 -0.305 0.000 0.823 173 A HN 0.424 nan 8.150 nan 0.000 0.442 174 N N -0.197 118.375 118.700 -0.213 0.000 2.166 174 N HA -0.127 4.610 4.740 -0.005 0.000 0.186 174 N C 1.579 176.982 175.510 -0.179 0.000 1.019 174 N CA 1.425 54.385 53.050 -0.149 0.000 0.856 174 N CB -0.557 37.865 38.487 -0.109 0.000 0.993 174 N HN 0.420 nan 8.380 nan 0.000 0.426 175 L N 0.058 121.076 121.223 -0.341 0.000 2.027 175 L HA -0.092 4.245 4.340 -0.005 0.000 0.206 175 L C 1.818 178.529 176.870 -0.266 0.000 1.074 175 L CA 1.547 56.160 54.840 -0.378 0.000 0.745 175 L CB -0.841 40.810 42.059 -0.680 0.000 0.898 175 L HN 0.066 nan 8.230 nan 0.000 0.433 176 Y N 0.438 120.557 120.300 -0.302 0.000 2.224 176 Y HA -0.192 4.354 4.550 -0.006 0.000 0.289 176 Y C 2.568 178.451 175.900 -0.029 0.000 1.146 176 Y CA 1.872 59.827 58.100 -0.243 0.000 1.182 176 Y CB -0.260 37.961 38.460 -0.398 0.000 0.983 176 Y HN 0.345 nan 8.280 nan 0.000 0.524 177 E N -0.311 119.942 120.200 0.089 0.000 2.072 177 E HA -0.232 4.115 4.350 -0.005 0.000 0.191 177 E C 2.032 178.661 176.600 0.049 0.000 0.985 177 E CA 1.179 57.631 56.400 0.087 0.000 0.801 177 E CB -0.119 29.603 29.700 0.036 0.000 0.750 177 E HN 0.107 nan 8.360 nan 0.000 0.452 178 K N 1.191 121.586 120.400 -0.008 0.000 2.152 178 K HA -0.085 4.232 4.320 -0.005 0.000 0.206 178 K C 1.402 177.980 176.600 -0.037 0.000 1.048 178 K CA 0.965 57.236 56.287 -0.026 0.000 0.933 178 K CB -0.029 32.435 32.500 -0.059 0.000 0.721 178 K HN 0.078 nan 8.250 nan 0.000 0.447 179 L N -1.019 120.186 121.223 -0.029 0.000 2.728 179 L HA 0.263 4.600 4.340 -0.005 0.000 0.235 179 L C 0.872 177.801 176.870 0.098 0.000 1.197 179 L CA 0.264 55.095 54.840 -0.015 0.000 0.992 179 L CB 0.034 42.047 42.059 -0.077 0.000 1.263 179 L HN 0.525 nan 8.230 nan 0.000 0.484 180 G N -1.510 107.352 108.800 0.103 0.000 2.232 180 G HA2 -0.254 3.703 3.960 -0.005 0.000 0.226 180 G HA3 -0.254 3.703 3.960 -0.005 0.000 0.226 180 G C -0.150 174.815 174.900 0.109 0.000 0.996 180 G CA -0.574 44.568 45.100 0.070 0.000 0.626 180 G HN 0.234 nan 8.290 nan 0.000 0.509 181 W N 1.477 122.797 121.300 0.033 0.000 2.161 181 W HA 0.618 5.274 4.660 -0.007 0.000 0.344 181 W C 0.754 177.301 176.519 0.047 0.000 1.262 181 W CA -0.387 57.004 57.345 0.077 0.000 1.270 181 W CB 0.502 30.078 29.460 0.192 0.000 1.126 181 W HN 0.177 nan 8.180 nan 0.000 0.598 182 E N 1.233 121.601 120.200 0.279 0.000 2.200 182 E HA 0.394 4.741 4.350 -0.005 0.000 0.283 182 E C -1.354 175.346 176.600 0.166 0.000 1.015 182 E CA -0.331 56.165 56.400 0.160 0.000 0.819 182 E CB 0.938 30.701 29.700 0.105 0.000 1.081 182 E HN 0.210 nan 8.360 nan 0.000 0.397 183 V N 5.978 125.942 119.914 0.085 0.000 2.555 183 V HA 0.329 4.445 4.120 -0.005 0.000 0.302 183 V C -0.258 175.806 176.094 -0.050 0.000 1.038 183 V CA -0.876 61.426 62.300 0.003 0.000 0.887 183 V CB 1.707 33.515 31.823 -0.025 0.000 0.991 183 V HN 0.643 nan 8.190 nan 0.000 0.434 184 I N 4.781 125.276 120.570 -0.124 0.000 2.330 184 I HA 0.437 4.604 4.170 -0.005 0.000 0.286 184 I C 0.389 176.430 176.117 -0.128 0.000 1.025 184 I CA -0.375 60.819 61.300 -0.176 0.000 1.197 184 I CB 1.282 39.038 38.000 -0.407 0.000 1.358 184 I HN 0.539 nan 8.210 nan 0.000 0.467 185 R N 6.637 127.115 120.500 -0.036 0.000 2.210 185 R HA 0.471 4.808 4.340 -0.005 0.000 0.338 185 R C -0.183 176.149 176.300 0.055 0.000 1.062 185 R CA -0.145 56.014 56.100 0.100 0.000 0.902 185 R CB 1.165 31.499 30.300 0.056 0.000 1.050 185 R HN 0.557 nan 8.270 nan 0.000 0.461 186 M N 2.770 122.359 119.600 -0.018 0.000 2.393 186 M HA 0.298 4.774 4.480 -0.005 0.000 0.316 186 M C -1.179 174.851 176.300 -0.450 0.000 1.087 186 M CA -0.727 54.453 55.300 -0.200 0.000 0.937 186 M CB 1.838 34.316 32.600 -0.202 0.000 1.668 186 M HN 0.331 nan 8.290 nan 0.000 0.438 187 N N 3.727 121.950 118.700 -0.796 0.000 2.511 187 N HA 0.146 4.883 4.740 -0.005 0.000 0.249 187 N C -1.977 173.314 175.510 -0.366 0.000 0.971 187 N CA -0.171 52.294 53.050 -0.974 0.000 0.938 187 N CB 0.663 38.041 38.487 -1.848 0.000 1.131 187 N HN 0.665 nan 8.380 nan 0.000 0.505 188 Y N 5.806 125.931 120.300 -0.290 0.000 2.636 188 Y HA 0.304 4.851 4.550 -0.005 0.000 0.334 188 Y C 0.021 175.890 175.900 -0.051 0.000 1.286 188 Y CA -0.637 57.393 58.100 -0.118 0.000 1.688 188 Y CB -0.264 38.174 38.460 -0.037 0.000 1.662 188 Y HN 0.395 nan 8.280 nan 0.000 0.465 189 L N 3.231 124.350 121.223 -0.174 0.000 2.514 189 L HA 0.086 4.423 4.340 -0.005 0.000 0.280 189 L C 1.229 177.973 176.870 -0.211 0.000 1.223 189 L CA 0.411 55.172 54.840 -0.132 0.000 0.864 189 L CB 0.435 42.489 42.059 -0.008 0.000 1.118 189 L HN 0.711 nan 8.230 nan 0.000 0.494 190 G N 1.439 110.186 108.800 -0.088 0.000 2.977 190 G HA2 0.261 4.218 3.960 -0.005 0.000 0.306 190 G HA3 0.261 4.218 3.960 -0.005 0.000 0.306 190 G C 0.010 174.934 174.900 0.039 0.000 0.885 190 G CA -0.362 44.706 45.100 -0.053 0.000 1.649 190 G HN 0.816 nan 8.290 nan 0.000 0.514 191 D N 0.262 120.706 120.400 0.072 0.000 2.772 191 D HA 0.122 4.758 4.640 -0.005 0.000 0.272 191 D C 0.052 176.585 176.300 0.389 0.000 1.314 191 D CA -0.663 53.438 54.000 0.168 0.000 0.835 191 D CB 0.101 41.008 40.800 0.179 0.000 1.080 191 D HN 0.491 nan 8.370 nan 0.000 0.482 192 W N 0.001 121.300 121.300 -0.001 0.000 3.018 192 W HA 0.450 5.107 4.660 -0.006 0.000 0.382 192 W C -0.198 176.260 176.519 -0.100 0.000 1.161 192 W CA -0.246 57.125 57.345 0.043 0.000 1.144 192 W CB 1.727 31.245 29.460 0.098 0.000 1.499 192 W HN 0.259 nan 8.180 nan 0.000 0.596 193 G N 1.698 110.141 108.800 -0.595 0.000 2.795 193 G HA2 -0.282 3.674 3.960 -0.005 0.000 0.664 193 G HA3 -0.282 3.674 3.960 -0.005 0.000 0.664 193 G C 0.316 174.518 174.900 -1.164 0.000 1.381 193 G CA 0.112 44.455 45.100 -1.262 0.000 0.853 193 G HN 0.601 nan 8.290 nan 0.000 0.545 194 K N -0.157 119.730 120.400 -0.855 0.000 2.113 194 K HA -0.235 4.082 4.320 -0.005 0.000 0.208 194 K C 2.622 179.133 176.600 -0.148 0.000 1.047 194 K CA 1.968 58.038 56.287 -0.361 0.000 0.928 194 K CB -0.144 32.260 32.500 -0.160 0.000 0.716 194 K HN 0.619 nan 8.250 nan 0.000 0.446 195 Q N 0.245 119.980 119.800 -0.108 0.000 2.118 195 Q HA -0.258 4.078 4.340 -0.005 0.000 0.211 195 Q C 1.910 177.958 176.000 0.080 0.000 0.998 195 Q CA 1.973 57.792 55.803 0.028 0.000 0.872 195 Q CB -0.184 28.548 28.738 -0.010 0.000 0.925 195 Q HN 0.351 nan 8.270 nan 0.000 0.414 196 F N -0.066 119.843 119.950 -0.069 0.000 2.335 196 F HA 0.195 4.719 4.527 -0.005 0.000 0.296 196 F C 1.937 177.784 175.800 0.078 0.000 1.091 196 F CA 1.269 59.296 58.000 0.045 0.000 1.399 196 F CB -0.377 38.701 39.000 0.129 0.000 1.067 196 F HN 0.143 nan 8.300 nan 0.000 0.520 197 G N 0.174 108.978 108.800 0.006 0.000 2.509 197 G HA2 -0.219 3.738 3.960 -0.005 0.000 0.218 197 G HA3 -0.219 3.738 3.960 -0.005 0.000 0.218 197 G C 1.507 176.370 174.900 -0.062 0.000 1.124 197 G CA 0.835 45.940 45.100 0.008 0.000 0.776 197 G HN 0.390 nan 8.290 nan 0.000 0.547 198 L N 0.086 121.288 121.223 -0.034 0.000 2.209 198 L HA 0.256 4.592 4.340 -0.005 0.000 0.207 198 L C 2.397 179.266 176.870 -0.001 0.000 1.094 198 L CA 0.847 55.688 54.840 0.001 0.000 0.790 198 L CB -0.183 41.950 42.059 0.124 0.000 0.932 198 L HN 0.017 nan 8.230 nan 0.000 0.447 199 L N -0.557 120.637 121.223 -0.048 0.000 2.093 199 L HA -0.082 4.254 4.340 -0.005 0.000 0.208 199 L C 2.668 179.545 176.870 0.012 0.000 1.085 199 L CA 1.620 56.426 54.840 -0.056 0.000 0.755 199 L CB -1.932 39.991 42.059 -0.226 0.000 0.904 199 L HN 0.359 nan 8.230 nan 0.000 0.435 200 A N 0.022 122.776 122.820 -0.110 0.000 1.842 200 A HA -0.250 4.066 4.320 -0.005 0.000 0.217 200 A C 2.504 180.099 177.584 0.018 0.000 1.206 200 A CA 2.469 54.511 52.037 0.009 0.000 0.630 200 A CB -1.247 17.773 19.000 0.033 0.000 0.839 200 A HN 0.212 nan 8.150 nan 0.000 0.447 201 V N 0.272 120.056 119.914 -0.217 0.000 2.287 201 V HA -0.145 3.972 4.120 -0.005 0.000 0.248 201 V C 2.438 178.496 176.094 -0.060 0.000 1.053 201 V CA 2.894 65.032 62.300 -0.269 0.000 1.027 201 V CB -1.225 30.359 31.823 -0.399 0.000 0.646 201 V HN 0.625 nan 8.190 nan 0.000 0.447 202 G N -1.344 107.463 108.800 0.010 0.000 2.442 202 G HA2 -0.338 3.619 3.960 -0.005 0.000 0.219 202 G HA3 -0.338 3.619 3.960 -0.005 0.000 0.219 202 G C 1.540 176.547 174.900 0.178 0.000 1.141 202 G CA 1.176 46.344 45.100 0.113 0.000 0.763 202 G HN 0.585 nan 8.290 nan 0.000 0.554 203 F N 1.539 121.515 119.950 0.043 0.000 2.206 203 F HA 0.097 4.621 4.527 -0.005 0.000 0.298 203 F C 2.652 178.500 175.800 0.079 0.000 1.090 203 F CA 1.434 59.491 58.000 0.095 0.000 1.323 203 F CB -0.051 39.098 39.000 0.248 0.000 1.028 203 F HN 0.271 nan 8.300 nan 0.000 0.492 204 E N -0.427 119.820 120.200 0.079 0.000 2.153 204 E HA -0.226 4.121 4.350 -0.005 0.000 0.194 204 E C 2.129 178.634 176.600 -0.157 0.000 0.988 204 E CA 0.984 57.364 56.400 -0.034 0.000 0.811 204 E CB -0.102 29.612 29.700 0.024 0.000 0.746 204 E HN 0.278 nan 8.360 nan 0.000 0.466 205 R N 0.043 120.434 120.500 -0.182 0.000 2.048 205 R HA -0.056 4.281 4.340 -0.005 0.000 0.224 205 R C 1.046 177.009 176.300 -0.561 0.000 1.163 205 R CA 1.317 57.175 56.100 -0.403 0.000 0.956 205 R CB -0.009 30.013 30.300 -0.463 0.000 0.849 205 R HN 0.145 nan 8.270 nan 0.000 0.435 206 Y N -0.565 119.654 120.300 -0.136 0.000 2.507 206 Y HA 0.426 4.973 4.550 -0.006 0.000 0.254 206 Y C 0.705 176.506 175.900 -0.165 0.000 1.171 206 Y CA -0.301 57.722 58.100 -0.128 0.000 1.238 206 Y CB 0.350 38.745 38.460 -0.109 0.000 1.148 206 Y HN 0.103 nan 8.280 nan 0.000 0.525 207 G N 1.708 110.336 108.800 -0.288 0.000 2.305 207 G HA2 -0.019 3.938 3.960 -0.005 0.000 0.243 207 G HA3 -0.019 3.938 3.960 -0.005 0.000 0.243 207 G C -0.233 174.460 174.900 -0.344 0.000 1.288 207 G CA -0.201 44.444 45.100 -0.759 0.000 0.901 207 G HN 0.233 nan 8.290 nan 0.000 0.516 208 N N 2.021 120.755 118.700 0.056 0.000 2.483 208 N HA 0.094 4.831 4.740 -0.005 0.000 0.267 208 N C 0.892 176.377 175.510 -0.042 0.000 0.998 208 N CA -0.574 52.444 53.050 -0.054 0.000 0.918 208 N CB 1.916 40.357 38.487 -0.078 0.000 1.215 208 N HN 0.515 nan 8.380 nan 0.000 0.500 209 E N 3.295 123.504 120.200 0.015 0.000 2.021 209 E HA -0.275 4.072 4.350 -0.005 0.000 0.200 209 E C 1.311 177.951 176.600 0.065 0.000 1.015 209 E CA 2.300 58.763 56.400 0.106 0.000 0.824 209 E CB -0.056 29.694 29.700 0.083 0.000 0.762 209 E HN 0.816 nan 8.360 nan 0.000 0.454 210 E N -0.167 120.043 120.200 0.017 0.000 2.209 210 E HA -0.200 4.147 4.350 -0.005 0.000 0.196 210 E C 2.000 178.584 176.600 -0.027 0.000 0.993 210 E CA 1.224 57.628 56.400 0.008 0.000 0.819 210 E CB -0.320 29.380 29.700 -0.000 0.000 0.745 210 E HN 0.292 nan 8.360 nan 0.000 0.477 211 A N 1.595 124.346 122.820 -0.116 0.000 1.897 211 A HA -0.042 4.275 4.320 -0.005 0.000 0.215 211 A C 2.185 179.649 177.584 -0.201 0.000 1.181 211 A CA 0.943 52.849 52.037 -0.218 0.000 0.620 211 A CB -0.526 18.200 19.000 -0.457 0.000 0.821 211 A HN 0.295 nan 8.150 nan 0.000 0.443 212 L N 0.215 121.331 121.223 -0.177 0.000 2.450 212 L HA -0.079 4.258 4.340 -0.005 0.000 0.224 212 L C 2.077 179.060 176.870 0.189 0.000 1.149 212 L CA 1.190 56.099 54.840 0.115 0.000 0.816 212 L CB -0.392 41.868 42.059 0.335 0.000 0.932 212 L HN 0.162 nan 8.230 nan 0.000 0.449 213 V N -0.783 119.201 119.914 0.116 0.000 2.244 213 V HA -0.243 3.874 4.120 -0.005 0.000 0.244 213 V C 2.616 178.749 176.094 0.063 0.000 1.042 213 V CA 1.599 63.961 62.300 0.104 0.000 1.006 213 V CB -0.694 31.165 31.823 0.059 0.000 0.641 213 V HN 0.362 nan 8.190 nan 0.000 0.446 214 K N 0.378 120.803 120.400 0.043 0.000 1.980 214 K HA -0.149 4.168 4.320 -0.005 0.000 0.223 214 K C 0.739 177.359 176.600 0.033 0.000 1.052 214 K CA 1.887 58.189 56.287 0.025 0.000 0.974 214 K CB -0.446 32.067 32.500 0.023 0.000 0.734 214 K HN 0.579 nan 8.250 nan 0.000 0.447 215 D N -1.261 119.190 120.400 0.086 0.000 2.855 215 D HA 0.219 4.856 4.640 -0.005 0.000 0.241 215 D C -2.282 174.125 176.300 0.177 0.000 1.277 215 D CA -1.905 52.153 54.000 0.097 0.000 0.918 215 D CB 2.049 42.888 40.800 0.064 0.000 1.462 215 D HN -0.244 nan 8.370 nan 0.000 0.559 216 P HA -0.064 nan 4.420 nan 0.000 0.210 216 P C 1.590 178.946 177.300 0.093 0.000 1.189 216 P CA 0.910 64.111 63.100 0.168 0.000 0.920 216 P CB 0.193 32.021 31.700 0.214 0.000 0.782 217 I N -1.885 118.710 120.570 0.041 0.000 2.300 217 I HA -0.322 3.845 4.170 -0.005 0.000 0.252 217 I C 2.470 178.671 176.117 0.141 0.000 1.119 217 I CA 1.643 62.965 61.300 0.037 0.000 1.384 217 I CB -0.726 37.263 38.000 -0.020 0.000 1.062 217 I HN 0.090 nan 8.210 nan 0.000 0.426 218 H N 0.309 119.429 119.070 0.084 0.000 2.260 218 H HA -0.225 4.327 4.556 -0.005 0.000 0.304 218 H C 2.429 177.876 175.328 0.199 0.000 1.059 218 H CA 2.313 58.446 56.048 0.141 0.000 1.305 218 H CB -0.345 29.473 29.762 0.094 0.000 1.388 218 H HN 0.279 nan 8.280 nan 0.000 0.496 219 H N 0.139 119.220 119.070 0.020 0.000 2.319 219 H HA -0.098 4.455 4.556 -0.005 0.000 0.299 219 H C 2.334 177.641 175.328 -0.035 0.000 1.092 219 H CA 2.110 58.136 56.048 -0.038 0.000 1.302 219 H CB -0.538 29.279 29.762 0.092 0.000 1.373 219 H HN 0.378 nan 8.280 nan 0.000 0.497 220 L N -0.910 120.260 121.223 -0.089 0.000 2.187 220 L HA -0.168 4.168 4.340 -0.005 0.000 0.213 220 L C 2.193 179.020 176.870 -0.072 0.000 1.100 220 L CA 1.059 55.760 54.840 -0.232 0.000 0.765 220 L CB -0.499 41.369 42.059 -0.317 0.000 0.904 220 L HN 0.290 nan 8.230 nan 0.000 0.437 221 F N 1.206 121.073 119.950 -0.138 0.000 2.128 221 F HA -0.173 4.350 4.527 -0.006 0.000 0.295 221 F C 2.265 178.021 175.800 -0.073 0.000 1.100 221 F CA 1.380 59.352 58.000 -0.047 0.000 1.260 221 F CB -0.380 38.617 39.000 -0.005 0.000 1.009 221 F HN 0.096 nan 8.300 nan 0.000 0.476 222 D N 0.326 120.523 120.400 -0.337 0.000 2.116 222 D HA -0.181 4.456 4.640 -0.005 0.000 0.193 222 D C 2.555 178.612 176.300 -0.404 0.000 0.998 222 D CA 1.902 55.630 54.000 -0.454 0.000 0.836 222 D CB -0.666 39.925 40.800 -0.349 0.000 0.951 222 D HN 0.252 nan 8.370 nan 0.000 0.449 223 V N 0.807 120.515 119.914 -0.345 0.000 2.287 223 V HA -0.288 3.829 4.120 -0.005 0.000 0.248 223 V C 2.276 178.270 176.094 -0.165 0.000 1.053 223 V CA 1.545 63.694 62.300 -0.251 0.000 1.027 223 V CB -0.700 31.016 31.823 -0.178 0.000 0.646 223 V HN 0.164 nan 8.190 nan 0.000 0.447 224 Y N 0.692 120.845 120.300 -0.245 0.000 2.145 224 Y HA -0.210 4.336 4.550 -0.005 0.000 0.286 224 Y C 2.375 178.130 175.900 -0.241 0.000 1.145 224 Y CA 1.710 59.704 58.100 -0.178 0.000 1.148 224 Y CB -0.444 37.974 38.460 -0.069 0.000 0.981 224 Y HN 0.051 nan 8.280 nan 0.000 0.507 225 V N 0.527 120.207 119.914 -0.389 0.000 2.261 225 V HA -0.314 3.803 4.120 -0.005 0.000 0.246 225 V C 2.465 178.305 176.094 -0.423 0.000 1.047 225 V CA 2.315 64.326 62.300 -0.481 0.000 1.015 225 V CB -0.789 30.670 31.823 -0.607 0.000 0.642 225 V HN 0.242 nan 8.190 nan 0.000 0.446 226 R N 0.303 120.534 120.500 -0.449 0.000 2.081 226 R HA -0.136 4.201 4.340 -0.005 0.000 0.235 226 R C 1.957 177.985 176.300 -0.453 0.000 1.131 226 R CA 1.906 57.686 56.100 -0.534 0.000 0.960 226 R CB -0.898 28.900 30.300 -0.836 0.000 0.856 226 R HN 0.460 nan 8.270 nan 0.000 0.436 227 I N 0.906 121.272 120.570 -0.341 0.000 2.394 227 I HA -0.149 4.018 4.170 -0.005 0.000 0.251 227 I C 1.224 177.213 176.117 -0.212 0.000 1.136 227 I CA 1.356 62.557 61.300 -0.166 0.000 1.425 227 I CB -0.385 37.572 38.000 -0.071 0.000 1.079 227 I HN 0.220 nan 8.210 nan 0.000 0.425 228 N N 0.695 119.191 118.700 -0.340 0.000 2.309 228 N HA -0.138 4.599 4.740 -0.005 0.000 0.182 228 N C 1.681 177.057 175.510 -0.223 0.000 1.018 228 N CA 0.973 53.820 53.050 -0.339 0.000 0.876 228 N CB -0.061 38.126 38.487 -0.500 0.000 0.972 228 N HN 0.485 nan 8.380 nan 0.000 0.434 229 K N 0.570 120.841 120.400 -0.214 0.000 2.155 229 K HA -0.020 4.297 4.320 -0.005 0.000 0.203 229 K C 1.099 177.633 176.600 -0.109 0.000 1.052 229 K CA 0.669 56.863 56.287 -0.155 0.000 0.948 229 K CB 0.123 32.523 32.500 -0.167 0.000 0.728 229 K HN 0.119 nan 8.250 nan 0.000 0.448 230 D N 1.369 121.710 120.400 -0.098 0.000 2.178 230 D HA -0.137 4.500 4.640 -0.005 0.000 0.201 230 D C 1.816 178.088 176.300 -0.047 0.000 0.980 230 D CA 1.201 55.175 54.000 -0.043 0.000 0.842 230 D CB 0.044 40.849 40.800 0.010 0.000 0.948 230 D HN 0.394 nan 8.370 nan 0.000 0.472 231 I N -1.914 118.616 120.570 -0.068 0.000 3.860 231 I HA 0.176 4.343 4.170 -0.005 0.000 0.319 231 I C 1.751 177.832 176.117 -0.060 0.000 1.279 231 I CA 0.364 61.629 61.300 -0.059 0.000 1.220 231 I CB 0.136 38.096 38.000 -0.066 0.000 1.027 231 I HN -0.220 nan 8.210 nan 0.000 0.428 232 E N 1.500 121.657 120.200 -0.071 0.000 2.447 232 E HA -0.063 4.284 4.350 -0.005 0.000 0.204 232 E C 1.856 178.426 176.600 -0.051 0.000 0.977 232 E CA 0.101 56.463 56.400 -0.065 0.000 0.950 232 E CB 0.445 30.096 29.700 -0.082 0.000 0.975 232 E HN 0.638 nan 8.360 nan 0.000 0.496 233 E N 0.818 120.989 120.200 -0.050 0.000 2.162 233 E HA -0.114 4.233 4.350 -0.005 0.000 0.193 233 E C 1.776 178.359 176.600 -0.029 0.000 0.953 233 E CA 0.607 56.983 56.400 -0.039 0.000 0.849 233 E CB 0.125 29.801 29.700 -0.040 0.000 0.810 233 E HN 0.323 nan 8.360 nan 0.000 0.470 234 E N 0.445 120.629 120.200 -0.028 0.000 2.160 234 E HA -0.067 4.280 4.350 -0.005 0.000 0.195 234 E C 1.232 177.821 176.600 -0.019 0.000 0.991 234 E CA 0.749 57.137 56.400 -0.021 0.000 0.810 234 E CB -0.352 29.336 29.700 -0.020 0.000 0.742 234 E HN 0.278 nan 8.360 nan 0.000 0.466 235 G N 1.662 110.448 108.800 -0.022 0.000 2.598 235 G HA2 -0.320 3.637 3.960 -0.005 0.000 0.244 235 G HA3 -0.320 3.637 3.960 -0.005 0.000 0.244 235 G C -0.618 174.273 174.900 -0.015 0.000 1.302 235 G CA 0.122 45.211 45.100 -0.019 0.000 0.903 235 G HN 0.313 nan 8.290 nan 0.000 0.575 236 D N 0.987 121.380 120.400 -0.012 0.000 2.538 236 D HA 0.467 5.104 4.640 -0.005 0.000 0.234 236 D C 1.648 177.944 176.300 -0.007 0.000 1.191 236 D CA 0.758 54.753 54.000 -0.008 0.000 0.828 236 D CB 0.506 41.302 40.800 -0.006 0.000 0.981 236 D HN 0.361 nan 8.370 nan 0.000 0.490 237 S N -0.088 115.607 115.700 -0.008 0.000 2.320 237 S HA 0.120 4.587 4.470 -0.005 0.000 0.180 237 S C 1.015 175.612 174.600 -0.005 0.000 1.145 237 S CA -0.122 58.074 58.200 -0.007 0.000 1.444 237 S CB 0.059 63.254 63.200 -0.008 0.000 0.843 237 S HN 0.206 nan 8.310 nan 0.000 0.406 238 I N 3.693 124.260 120.570 -0.006 0.000 2.710 238 I HA 0.083 4.250 4.170 -0.005 0.000 0.286 238 I C -2.351 173.764 176.117 -0.003 0.000 1.181 238 I CA -1.620 59.677 61.300 -0.005 0.000 1.430 238 I CB -0.140 37.857 38.000 -0.006 0.000 1.367 238 I HN 0.142 nan 8.210 nan 0.000 0.577 239 P HA -0.048 nan 4.420 nan 0.000 0.264 239 P C 0.810 178.112 177.300 0.002 0.000 1.179 239 P CA 0.150 63.252 63.100 0.002 0.000 0.763 239 P CB 0.473 32.176 31.700 0.005 0.000 0.806 240 L N 1.996 123.222 121.223 0.004 0.000 1.980 240 L HA -0.308 4.028 4.340 -0.005 0.000 0.232 240 L C 2.277 179.151 176.870 0.007 0.000 1.092 240 L CA 2.083 56.926 54.840 0.004 0.000 0.808 240 L CB -0.833 41.232 42.059 0.010 0.000 0.908 240 L HN 0.531 nan 8.230 nan 0.000 0.442 241 E N -0.324 119.885 120.200 0.015 0.000 2.110 241 E HA -0.293 4.054 4.350 -0.005 0.000 0.193 241 E C 2.104 178.715 176.600 0.017 0.000 0.988 241 E CA 1.188 57.601 56.400 0.022 0.000 0.804 241 E CB 0.016 29.735 29.700 0.032 0.000 0.745 241 E HN 0.302 nan 8.360 nan 0.000 0.458 242 Q N 0.123 119.930 119.800 0.012 0.000 2.541 242 Q HA -0.020 4.316 4.340 -0.005 0.000 0.215 242 Q C 1.150 177.151 176.000 0.002 0.000 0.977 242 Q CA 0.739 56.547 55.803 0.008 0.000 0.934 242 Q CB 0.089 28.831 28.738 0.006 0.000 0.988 242 Q HN 0.148 nan 8.270 nan 0.000 0.521 243 S N -2.992 112.707 115.700 -0.002 0.000 3.064 243 S HA 0.298 4.764 4.470 -0.005 0.000 0.170 243 S C 0.947 175.537 174.600 -0.017 0.000 0.713 243 S CA 0.641 58.836 58.200 -0.009 0.000 0.891 243 S CB 0.035 63.228 63.200 -0.010 0.000 0.772 243 S HN 0.339 nan 8.310 nan 0.000 0.701 244 T N 1.057 115.598 114.554 -0.022 0.000 3.467 244 T HA 0.217 4.564 4.350 -0.005 0.000 0.258 244 T C 1.469 176.144 174.700 -0.041 0.000 0.999 244 T CA 0.028 62.106 62.100 -0.037 0.000 1.148 244 T CB -0.976 67.870 68.868 -0.037 0.000 1.186 244 T HN 0.373 nan 8.240 nan 0.000 0.401 245 N N 1.757 120.436 118.700 -0.034 0.000 2.184 245 N HA -0.130 4.607 4.740 -0.005 0.000 0.190 245 N C 1.908 177.411 175.510 -0.011 0.000 1.011 245 N CA 1.962 54.994 53.050 -0.029 0.000 0.867 245 N CB -0.406 38.065 38.487 -0.025 0.000 0.993 245 N HN 0.471 nan 8.380 nan 0.000 0.433 246 G N 1.120 109.919 108.800 -0.001 0.000 2.394 246 G HA2 -0.217 3.740 3.960 -0.005 0.000 0.215 246 G HA3 -0.217 3.740 3.960 -0.005 0.000 0.215 246 G C 1.231 176.154 174.900 0.038 0.000 1.165 246 G CA 0.775 45.887 45.100 0.021 0.000 0.784 246 G HN 0.612 nan 8.290 nan 0.000 0.535 247 K N 0.546 120.959 120.400 0.022 0.000 2.706 247 K HA 0.549 4.866 4.320 -0.005 0.000 0.217 247 K C 1.338 177.924 176.600 -0.023 0.000 1.019 247 K CA 0.608 56.927 56.287 0.052 0.000 1.181 247 K CB 0.345 32.863 32.500 0.031 0.000 0.940 247 K HN 0.215 nan 8.250 nan 0.000 0.491 248 A N 1.828 124.644 122.820 -0.006 0.000 2.066 248 A HA 0.007 4.323 4.320 -0.005 0.000 0.198 248 A C 2.049 179.692 177.584 0.098 0.000 1.405 248 A CA -0.284 51.728 52.037 -0.041 0.000 0.973 248 A CB -0.032 18.928 19.000 -0.066 0.000 1.026 248 A HN 0.426 nan 8.150 nan 0.000 0.474 249 R N 1.295 121.858 120.500 0.106 0.000 2.115 249 R HA -0.104 4.233 4.340 -0.005 0.000 0.226 249 R C 1.633 178.052 176.300 0.197 0.000 1.100 249 R CA 1.642 57.834 56.100 0.153 0.000 0.980 249 R CB -0.600 29.766 30.300 0.110 0.000 0.875 249 R HN 0.676 nan 8.270 nan 0.000 0.445 250 E N 0.303 120.613 120.200 0.183 0.000 2.072 250 E HA -0.199 4.148 4.350 -0.005 0.000 0.190 250 E C 1.328 178.030 176.600 0.170 0.000 0.982 250 E CA 0.786 57.278 56.400 0.154 0.000 0.803 250 E CB -0.578 29.213 29.700 0.152 0.000 0.755 250 E HN 0.334 nan 8.360 nan 0.000 0.453 251 Y N 0.106 120.427 120.300 0.034 0.000 2.256 251 Y HA -0.160 4.386 4.550 -0.006 0.000 0.288 251 Y C 2.053 177.970 175.900 0.029 0.000 1.155 251 Y CA 1.121 59.235 58.100 0.023 0.000 1.203 251 Y CB -0.470 38.007 38.460 0.027 0.000 0.980 251 Y HN 0.170 nan 8.280 nan 0.000 0.530 252 F N 1.923 121.893 119.950 0.034 0.000 2.060 252 F HA -0.154 4.370 4.527 -0.006 0.000 0.295 252 F C 2.212 177.907 175.800 -0.174 0.000 1.120 252 F CA 1.874 59.793 58.000 -0.134 0.000 1.205 252 F CB -0.636 38.290 39.000 -0.124 0.000 0.986 252 F HN 0.049 nan 8.300 nan 0.000 0.470 253 K N 0.478 120.698 120.400 -0.300 0.000 2.280 253 K HA -0.178 4.139 4.320 -0.005 0.000 0.202 253 K C 2.146 178.589 176.600 -0.262 0.000 1.047 253 K CA 1.679 57.743 56.287 -0.372 0.000 0.942 253 K CB -0.819 31.586 32.500 -0.159 0.000 0.739 253 K HN 0.342 nan 8.250 nan 0.000 0.457 254 R N 0.507 120.898 120.500 -0.182 0.000 2.090 254 R HA 0.082 4.419 4.340 -0.005 0.000 0.228 254 R C 2.008 178.205 176.300 -0.172 0.000 1.110 254 R CA 1.464 57.466 56.100 -0.164 0.000 0.973 254 R CB -0.142 30.040 30.300 -0.197 0.000 0.869 254 R HN 0.305 nan 8.270 nan 0.000 0.440 255 M N 0.083 119.553 119.600 -0.218 0.000 2.254 255 M HA -0.094 4.383 4.480 -0.005 0.000 0.265 255 M C 1.558 177.733 176.300 -0.209 0.000 1.066 255 M CA 1.510 56.672 55.300 -0.229 0.000 1.123 255 M CB 0.009 32.376 32.600 -0.389 0.000 1.388 255 M HN 0.176 nan 8.290 nan 0.000 0.425 256 E N 0.308 120.320 120.200 -0.314 0.000 2.274 256 E HA -0.137 4.210 4.350 -0.005 0.000 0.194 256 E C 1.130 177.674 176.600 -0.094 0.000 0.996 256 E CA 0.626 56.922 56.400 -0.174 0.000 0.840 256 E CB 0.014 29.520 29.700 -0.323 0.000 0.772 256 E HN 0.492 nan 8.360 nan 0.000 0.491 257 D N -0.383 119.950 120.400 -0.112 0.000 2.289 257 D HA -0.016 4.621 4.640 -0.005 0.000 0.207 257 D C 1.190 177.462 176.300 -0.047 0.000 0.966 257 D CA 1.001 54.958 54.000 -0.072 0.000 0.868 257 D CB 0.704 41.456 40.800 -0.079 0.000 0.943 257 D HN 0.313 nan 8.370 nan 0.000 0.514 258 G N 1.948 110.723 108.800 -0.043 0.000 2.131 258 G HA2 -0.217 3.740 3.960 -0.005 0.000 0.201 258 G HA3 -0.217 3.740 3.960 -0.005 0.000 0.201 258 G C -0.097 174.793 174.900 -0.017 0.000 1.000 258 G CA -0.096 44.993 45.100 -0.018 0.000 0.680 258 G HN 0.284 nan 8.290 nan 0.000 0.514 259 D N 0.802 121.179 120.400 -0.038 0.000 2.376 259 D HA 0.072 4.708 4.640 -0.005 0.000 0.278 259 D C 1.583 177.878 176.300 -0.008 0.000 1.384 259 D CA -0.003 53.972 54.000 -0.041 0.000 1.033 259 D CB 0.386 41.136 40.800 -0.084 0.000 1.102 259 D HN 0.279 nan 8.370 nan 0.000 0.530 260 E N 3.255 123.459 120.200 0.006 0.000 2.197 260 E HA -0.286 4.061 4.350 -0.005 0.000 0.205 260 E C 1.383 178.004 176.600 0.036 0.000 1.029 260 E CA 1.256 57.674 56.400 0.029 0.000 0.828 260 E CB 0.140 29.854 29.700 0.023 0.000 0.737 260 E HN 0.794 nan 8.360 nan 0.000 0.464 261 E N -0.490 119.718 120.200 0.014 0.000 2.016 261 E HA -0.096 4.251 4.350 -0.005 0.000 0.190 261 E C 1.977 178.598 176.600 0.034 0.000 0.985 261 E CA 1.019 57.430 56.400 0.017 0.000 0.802 261 E CB -0.181 29.517 29.700 -0.004 0.000 0.762 261 E HN 0.197 nan 8.360 nan 0.000 0.448 262 A N 1.047 123.875 122.820 0.013 0.000 2.070 262 A HA -0.116 4.201 4.320 -0.005 0.000 0.220 262 A C 2.069 179.740 177.584 0.145 0.000 1.159 262 A CA 0.869 52.937 52.037 0.052 0.000 0.656 262 A CB -0.307 18.677 19.000 -0.027 0.000 0.800 262 A HN 0.324 nan 8.150 nan 0.000 0.453 263 L N -0.663 120.645 121.223 0.141 0.000 2.209 263 L HA -0.007 4.330 4.340 -0.005 0.000 0.207 263 L C 2.315 179.374 176.870 0.314 0.000 1.094 263 L CA 1.819 56.818 54.840 0.264 0.000 0.790 263 L CB -1.122 41.049 42.059 0.187 0.000 0.932 263 L HN 0.538 nan 8.230 nan 0.000 0.447 264 K N 0.696 121.191 120.400 0.159 0.000 2.097 264 K HA -0.194 4.122 4.320 -0.005 0.000 0.206 264 K C 2.125 178.722 176.600 -0.005 0.000 1.049 264 K CA 1.240 57.580 56.287 0.087 0.000 0.933 264 K CB 0.021 32.548 32.500 0.045 0.000 0.717 264 K HN 0.242 nan 8.250 nan 0.000 0.442 265 I N -0.071 120.474 120.570 -0.042 0.000 2.439 265 I HA -0.190 3.977 4.170 -0.005 0.000 0.251 265 I C 1.984 177.881 176.117 -0.367 0.000 1.139 265 I CA 0.984 62.089 61.300 -0.326 0.000 1.438 265 I CB -0.145 37.666 38.000 -0.315 0.000 1.085 265 I HN 0.397 nan 8.210 nan 0.000 0.427 266 W N 2.355 123.623 121.300 -0.054 0.000 2.353 266 W HA -0.277 4.380 4.660 -0.005 0.000 0.319 266 W C 2.429 178.957 176.519 0.016 0.000 1.207 266 W CA 2.129 59.599 57.345 0.208 0.000 1.291 266 W CB -0.510 29.108 29.460 0.264 0.000 1.159 266 W HN -0.074 nan 8.180 nan 0.000 0.478 267 K N 0.378 120.648 120.400 -0.216 0.000 2.286 267 K HA -0.255 4.062 4.320 -0.005 0.000 0.203 267 K C 2.362 178.746 176.600 -0.361 0.000 1.045 267 K CA 1.667 57.633 56.287 -0.535 0.000 0.935 267 K CB -0.281 32.146 32.500 -0.121 0.000 0.737 267 K HN 0.210 nan 8.250 nan 0.000 0.460 268 R N -0.579 119.725 120.500 -0.327 0.000 2.055 268 R HA -0.071 4.265 4.340 -0.005 0.000 0.226 268 R C 1.952 178.009 176.300 -0.405 0.000 1.135 268 R CA 1.276 57.134 56.100 -0.404 0.000 0.959 268 R CB -0.170 29.788 30.300 -0.570 0.000 0.854 268 R HN 0.099 nan 8.270 nan 0.000 0.431 269 F N 1.167 120.899 119.950 -0.363 0.000 2.134 269 F HA -0.103 4.420 4.527 -0.006 0.000 0.299 269 F C 2.539 178.245 175.800 -0.157 0.000 1.097 269 F CA 1.265 59.119 58.000 -0.243 0.000 1.264 269 F CB -1.006 38.013 39.000 0.031 0.000 1.001 269 F HN 0.100 nan 8.300 nan 0.000 0.479 270 R N 0.428 120.863 120.500 -0.108 0.000 2.073 270 R HA -0.195 4.142 4.340 -0.005 0.000 0.234 270 R C 2.088 178.310 176.300 -0.130 0.000 1.134 270 R CA 1.767 57.727 56.100 -0.232 0.000 0.952 270 R CB -0.285 29.600 30.300 -0.691 0.000 0.850 270 R HN 0.092 nan 8.270 nan 0.000 0.433 271 E N -0.356 119.784 120.200 -0.101 0.000 2.150 271 E HA -0.130 4.216 4.350 -0.005 0.000 0.193 271 E C 1.510 178.188 176.600 0.130 0.000 0.985 271 E CA 1.167 57.571 56.400 0.007 0.000 0.814 271 E CB -0.116 29.622 29.700 0.063 0.000 0.752 271 E HN 0.294 nan 8.360 nan 0.000 0.466 272 F N -0.171 119.712 119.950 -0.112 0.000 2.259 272 F HA -0.019 4.505 4.527 -0.006 0.000 0.298 272 F C 2.424 178.108 175.800 -0.193 0.000 1.088 272 F CA 0.771 58.708 58.000 -0.105 0.000 1.358 272 F CB -0.547 38.435 39.000 -0.031 0.000 1.040 272 F HN -0.056 nan 8.300 nan 0.000 0.505 273 S N 0.191 115.867 115.700 -0.041 0.000 2.371 273 S HA -0.060 4.407 4.470 -0.005 0.000 0.224 273 S C 2.249 176.500 174.600 -0.582 0.000 1.029 273 S CA 0.784 58.748 58.200 -0.393 0.000 0.978 273 S CB -0.340 62.694 63.200 -0.277 0.000 0.833 273 S HN 0.245 nan 8.310 nan 0.000 0.466 274 I N 1.820 122.255 120.570 -0.225 0.000 2.226 274 I HA -0.173 3.994 4.170 -0.005 0.000 0.245 274 I C 2.530 178.494 176.117 -0.255 0.000 1.100 274 I CA 1.080 62.245 61.300 -0.225 0.000 1.374 274 I CB -0.366 37.417 38.000 -0.363 0.000 1.057 274 I HN 0.207 nan 8.210 nan 0.000 0.413 275 E N 1.024 121.094 120.200 -0.215 0.000 2.085 275 E HA -0.209 4.137 4.350 -0.005 0.000 0.194 275 E C 2.131 178.639 176.600 -0.153 0.000 0.994 275 E CA 1.159 57.454 56.400 -0.174 0.000 0.801 275 E CB -0.237 29.349 29.700 -0.189 0.000 0.743 275 E HN 0.393 nan 8.360 nan 0.000 0.453 276 K N 0.146 120.415 120.400 -0.218 0.000 2.062 276 K HA -0.091 4.226 4.320 -0.005 0.000 0.205 276 K C 2.235 178.744 176.600 -0.151 0.000 1.051 276 K CA 0.752 56.909 56.287 -0.216 0.000 0.941 276 K CB -0.666 31.656 32.500 -0.297 0.000 0.719 276 K HN 0.210 nan 8.250 nan 0.000 0.440 277 Y N 1.680 121.926 120.300 -0.089 0.000 2.128 277 Y HA -0.137 4.410 4.550 -0.005 0.000 0.284 277 Y C 2.332 178.325 175.900 0.156 0.000 1.154 277 Y CA 0.502 58.591 58.100 -0.018 0.000 1.149 277 Y CB -0.931 37.690 38.460 0.269 0.000 0.976 277 Y HN -0.037 nan 8.280 nan 0.000 0.505 278 I N -0.043 120.709 120.570 0.304 0.000 2.185 278 I HA -0.371 3.795 4.170 -0.005 0.000 0.246 278 I C 1.871 178.104 176.117 0.194 0.000 1.088 278 I CA 1.818 63.295 61.300 0.296 0.000 1.347 278 I CB -0.382 37.693 38.000 0.123 0.000 1.041 278 I HN 0.242 nan 8.210 nan 0.000 0.415 279 D N 0.023 120.466 120.400 0.072 0.000 2.149 279 D HA -0.099 4.537 4.640 -0.005 0.000 0.201 279 D C 2.208 178.502 176.300 -0.010 0.000 0.972 279 D CA 1.394 55.406 54.000 0.019 0.000 0.835 279 D CB -0.242 40.540 40.800 -0.030 0.000 0.966 279 D HN 0.304 nan 8.370 nan 0.000 0.476 280 T N 0.435 114.938 114.554 -0.084 0.000 2.708 280 T HA -0.153 4.194 4.350 -0.005 0.000 0.266 280 T C 1.788 176.387 174.700 -0.167 0.000 1.037 280 T CA 0.917 62.885 62.100 -0.220 0.000 1.146 280 T CB -0.381 68.198 68.868 -0.482 0.000 0.865 280 T HN 0.157 nan 8.240 nan 0.000 0.435 281 Y N 1.330 121.674 120.300 0.074 0.000 2.293 281 Y HA 0.155 4.702 4.550 -0.005 0.000 0.291 281 Y C 2.610 178.546 175.900 0.060 0.000 1.137 281 Y CA 0.153 58.314 58.100 0.102 0.000 1.202 281 Y CB -0.821 37.757 38.460 0.196 0.000 0.990 281 Y HN 0.196 nan 8.280 nan 0.000 0.537 282 A N 0.093 123.028 122.820 0.190 0.000 1.969 282 A HA -0.193 4.123 4.320 -0.005 0.000 0.218 282 A C 2.302 179.928 177.584 0.069 0.000 1.169 282 A CA 1.480 53.584 52.037 0.111 0.000 0.635 282 A CB -0.644 18.406 19.000 0.083 0.000 0.810 282 A HN 0.406 nan 8.150 nan 0.000 0.445 283 R N -0.419 120.110 120.500 0.049 0.000 2.152 283 R HA -0.002 4.335 4.340 -0.005 0.000 0.232 283 R C 0.737 177.064 176.300 0.046 0.000 1.117 283 R CA 1.099 57.216 56.100 0.028 0.000 0.981 283 R CB -0.239 30.064 30.300 0.004 0.000 0.870 283 R HN 0.512 nan 8.270 nan 0.000 0.451 284 L N 1.188 122.457 121.223 0.077 0.000 2.791 284 L HA 0.156 4.493 4.340 -0.005 0.000 0.239 284 L C -0.284 176.637 176.870 0.085 0.000 1.203 284 L CA -0.263 54.633 54.840 0.093 0.000 1.002 284 L CB 0.070 42.215 42.059 0.144 0.000 1.295 284 L HN 0.232 nan 8.230 nan 0.000 0.504 285 N N 1.008 119.747 118.700 0.064 0.000 2.725 285 N HA -0.185 4.552 4.740 -0.005 0.000 0.249 285 N C -0.356 175.175 175.510 0.034 0.000 1.103 285 N CA 1.017 54.091 53.050 0.040 0.000 0.707 285 N CB -1.262 37.235 38.487 0.017 0.000 1.043 285 N HN 0.388 nan 8.380 nan 0.000 0.553 286 I N 0.264 120.869 120.570 0.058 0.000 2.433 286 I HA 0.264 4.431 4.170 -0.005 0.000 0.292 286 I C 0.338 176.418 176.117 -0.062 0.000 1.001 286 I CA -0.583 60.701 61.300 -0.026 0.000 1.119 286 I CB 2.118 40.097 38.000 -0.034 0.000 1.289 286 I HN -0.114 nan 8.210 nan 0.000 0.438 287 K N 6.420 126.736 120.400 -0.141 0.000 2.535 287 K HA 0.402 4.719 4.320 -0.005 0.000 0.253 287 K C -1.456 175.037 176.600 -0.178 0.000 0.953 287 K CA -0.572 55.674 56.287 -0.068 0.000 0.863 287 K CB 1.027 33.534 32.500 0.012 0.000 1.111 287 K HN 0.333 nan 8.250 nan 0.000 0.431 288 Y N 1.965 122.187 120.300 -0.130 0.000 2.397 288 Y HA -0.021 4.525 4.550 -0.006 0.000 0.335 288 Y C 1.330 177.154 175.900 -0.127 0.000 1.213 288 Y CA 0.274 58.200 58.100 -0.290 0.000 1.391 288 Y CB 0.851 38.847 38.460 -0.773 0.000 1.293 288 Y HN 0.665 nan 8.280 nan 0.000 0.557 289 D N 0.649 121.076 120.400 0.045 0.000 2.240 289 D HA 0.059 4.696 4.640 -0.005 0.000 0.206 289 D C -0.512 175.832 176.300 0.074 0.000 0.963 289 D CA 1.064 55.095 54.000 0.052 0.000 0.863 289 D CB 0.556 41.366 40.800 0.017 0.000 0.973 289 D HN 0.149 nan 8.370 nan 0.000 0.501 290 V N 0.624 120.547 119.914 0.015 0.000 2.851 290 V HA 0.184 4.301 4.120 -0.005 0.000 0.307 290 V C -1.459 174.555 176.094 -0.133 0.000 1.129 290 V CA -0.846 61.472 62.300 0.030 0.000 0.932 290 V CB 2.136 33.994 31.823 0.058 0.000 1.024 290 V HN -0.069 nan 8.190 nan 0.000 0.426 291 Y N 2.446 122.709 120.300 -0.060 0.000 2.841 291 Y HA 0.512 5.059 4.550 -0.005 0.000 0.329 291 Y C 0.997 176.858 175.900 -0.065 0.000 1.062 291 Y CA 0.284 58.305 58.100 -0.132 0.000 1.281 291 Y CB 1.563 39.976 38.460 -0.079 0.000 1.147 291 Y HN 0.734 nan 8.280 nan 0.000 0.521 292 S N 1.835 117.546 115.700 0.019 0.000 2.484 292 S HA 0.854 5.321 4.470 -0.005 0.000 0.256 292 S C 0.353 174.982 174.600 0.049 0.000 1.223 292 S CA 0.319 58.566 58.200 0.079 0.000 1.002 292 S CB 0.657 63.938 63.200 0.136 0.000 1.043 292 S HN 0.865 nan 8.310 nan 0.000 0.517 293 G N -0.682 108.139 108.800 0.034 0.000 2.355 293 G HA2 0.272 4.229 3.960 -0.005 0.000 0.296 293 G HA3 0.272 4.229 3.960 -0.005 0.000 0.296 293 G C -0.508 174.211 174.900 -0.302 0.000 1.507 293 G CA -0.547 44.425 45.100 -0.213 0.000 0.823 293 G HN 0.552 nan 8.290 nan 0.000 0.569 294 E N -0.220 119.678 120.200 -0.503 0.000 2.333 294 E HA -0.124 4.223 4.350 -0.005 0.000 0.198 294 E C 2.386 178.740 176.600 -0.410 0.000 1.007 294 E CA 1.401 57.631 56.400 -0.283 0.000 0.845 294 E CB 0.094 29.731 29.700 -0.105 0.000 0.766 294 E HN 0.473 nan 8.360 nan 0.000 0.507 295 S N 0.219 115.580 115.700 -0.565 0.000 2.527 295 S HA -0.019 4.447 4.470 -0.005 0.000 0.222 295 S C 1.578 175.766 174.600 -0.686 0.000 0.985 295 S CA 0.148 57.615 58.200 -1.222 0.000 0.921 295 S CB 0.253 62.846 63.200 -1.011 0.000 0.772 295 S HN 0.078 nan 8.310 nan 0.000 0.529 296 Q N 1.227 120.853 119.800 -0.290 0.000 2.320 296 Q HA 0.327 4.663 4.340 -0.005 0.000 0.201 296 Q C 0.265 176.205 176.000 -0.100 0.000 0.910 296 Q CA -0.037 55.686 55.803 -0.134 0.000 0.946 296 Q CB -0.002 28.730 28.738 -0.010 0.000 1.062 296 Q HN 0.493 nan 8.270 nan 0.000 0.503 297 V N 2.596 122.432 119.914 -0.130 0.000 2.470 297 V HA 0.115 4.232 4.120 -0.005 0.000 0.276 297 V C 0.385 176.434 176.094 -0.075 0.000 1.040 297 V CA -0.281 61.982 62.300 -0.060 0.000 1.008 297 V CB 0.839 32.648 31.823 -0.023 0.000 0.990 297 V HN 0.413 nan 8.190 nan 0.000 0.477 298 S N 5.526 121.198 115.700 -0.047 0.000 2.579 298 S HA 0.215 4.682 4.470 -0.005 0.000 0.275 298 S C 0.865 175.450 174.600 -0.026 0.000 1.345 298 S CA -0.108 58.066 58.200 -0.042 0.000 1.031 298 S CB 1.026 64.205 63.200 -0.035 0.000 0.892 298 S HN 0.812 nan 8.310 nan 0.000 0.529 299 K N 1.631 122.017 120.400 -0.023 0.000 2.097 299 K HA -0.033 4.284 4.320 -0.005 0.000 0.205 299 K C 1.996 178.593 176.600 -0.004 0.000 1.050 299 K CA 1.537 57.818 56.287 -0.010 0.000 0.938 299 K CB -0.303 32.191 32.500 -0.010 0.000 0.718 299 K HN 0.662 nan 8.250 nan 0.000 0.442 300 E N 0.475 120.671 120.200 -0.006 0.000 2.033 300 E HA -0.166 4.181 4.350 -0.005 0.000 0.199 300 E C 2.084 178.688 176.600 0.006 0.000 1.011 300 E CA 1.753 58.153 56.400 -0.000 0.000 0.815 300 E CB -0.567 29.132 29.700 -0.002 0.000 0.755 300 E HN 0.093 nan 8.360 nan 0.000 0.451 301 S N 0.133 115.838 115.700 0.008 0.000 2.370 301 S HA -0.164 4.303 4.470 -0.005 0.000 0.226 301 S C 1.833 176.438 174.600 0.010 0.000 1.033 301 S CA 1.293 59.506 58.200 0.022 0.000 1.011 301 S CB -0.173 63.039 63.200 0.019 0.000 0.852 301 S HN 0.180 nan 8.310 nan 0.000 0.457 302 M N 1.077 120.681 119.600 0.007 0.000 2.080 302 M HA -0.046 4.430 4.480 -0.005 0.000 0.260 302 M C 2.146 178.434 176.300 -0.020 0.000 1.068 302 M CA 1.460 56.766 55.300 0.009 0.000 1.109 302 M CB -1.658 30.960 32.600 0.029 0.000 1.342 302 M HN 0.296 nan 8.290 nan 0.000 0.405 303 L N -0.447 120.768 121.223 -0.012 0.000 2.046 303 L HA -0.217 4.119 4.340 -0.005 0.000 0.208 303 L C 2.621 179.461 176.870 -0.049 0.000 1.077 303 L CA 1.274 56.102 54.840 -0.019 0.000 0.747 303 L CB -0.767 41.289 42.059 -0.005 0.000 0.896 303 L HN 0.338 nan 8.230 nan 0.000 0.432 304 K N 0.500 120.878 120.400 -0.036 0.000 2.103 304 K HA -0.199 4.118 4.320 -0.005 0.000 0.207 304 K C 2.131 178.655 176.600 -0.127 0.000 1.048 304 K CA 1.375 57.641 56.287 -0.036 0.000 0.930 304 K CB -0.076 32.444 32.500 0.033 0.000 0.716 304 K HN 0.277 nan 8.250 nan 0.000 0.444 305 A N 1.386 124.087 122.820 -0.197 0.000 1.933 305 A HA -0.128 4.189 4.320 -0.005 0.000 0.218 305 A C 1.986 178.962 177.584 -1.012 0.000 1.175 305 A CA 1.169 52.881 52.037 -0.543 0.000 0.628 305 A CB -0.415 18.330 19.000 -0.424 0.000 0.814 305 A HN 0.272 nan 8.150 nan 0.000 0.444 306 I N 0.467 120.749 120.570 -0.480 0.000 2.179 306 I HA -0.212 3.955 4.170 -0.005 0.000 0.242 306 I C 2.205 178.250 176.117 -0.121 0.000 1.088 306 I CA 2.155 63.330 61.300 -0.208 0.000 1.357 306 I CB -1.475 36.519 38.000 -0.010 0.000 1.051 306 I HN 0.466 nan 8.210 nan 0.000 0.409 307 D N 1.062 121.392 120.400 -0.116 0.000 2.104 307 D HA -0.187 4.450 4.640 -0.005 0.000 0.194 307 D C 2.341 178.605 176.300 -0.059 0.000 0.994 307 D CA 1.266 55.234 54.000 -0.054 0.000 0.830 307 D CB -0.074 40.698 40.800 -0.046 0.000 0.959 307 D HN 0.274 nan 8.370 nan 0.000 0.452 308 L N -0.604 120.531 121.223 -0.146 0.000 2.083 308 L HA -0.119 4.218 4.340 -0.005 0.000 0.209 308 L C 2.204 179.097 176.870 0.038 0.000 1.083 308 L CA 0.453 55.224 54.840 -0.115 0.000 0.752 308 L CB -0.464 41.471 42.059 -0.207 0.000 0.899 308 L HN 0.099 nan 8.230 nan 0.000 0.433 309 F N 0.721 120.680 119.950 0.014 0.000 2.161 309 F HA -0.216 4.306 4.527 -0.009 0.000 0.300 309 F C 2.420 178.237 175.800 0.029 0.000 1.089 309 F CA 1.140 59.156 58.000 0.026 0.000 1.282 309 F CB -0.777 38.248 39.000 0.041 0.000 1.010 309 F HN 0.041 nan 8.300 nan 0.000 0.485 310 K N -0.070 120.454 120.400 0.207 0.000 2.044 310 K HA -0.128 4.189 4.320 -0.005 0.000 0.204 310 K C 1.977 178.628 176.600 0.084 0.000 1.045 310 K CA 1.024 57.388 56.287 0.127 0.000 0.951 310 K CB -0.421 32.135 32.500 0.094 0.000 0.738 310 K HN 0.160 nan 8.250 nan 0.000 0.443 311 E N 1.216 121.448 120.200 0.053 0.000 2.187 311 E HA -0.220 4.126 4.350 -0.005 0.000 0.199 311 E C 1.189 177.807 176.600 0.030 0.000 1.004 311 E CA 1.246 57.661 56.400 0.024 0.000 0.813 311 E CB 0.292 29.987 29.700 -0.008 0.000 0.736 311 E HN 0.030 nan 8.360 nan 0.000 0.468 312 K N -0.955 119.477 120.400 0.053 0.000 2.367 312 K HA 0.099 4.416 4.320 -0.005 0.000 0.194 312 K C 0.805 177.462 176.600 0.095 0.000 1.027 312 K CA 0.722 57.045 56.287 0.059 0.000 1.075 312 K CB 0.808 33.339 32.500 0.052 0.000 0.845 312 K HN 0.244 nan 8.250 nan 0.000 0.529 313 G N 2.504 111.365 108.800 0.102 0.000 2.314 313 G HA2 -0.249 3.708 3.960 -0.005 0.000 0.292 313 G HA3 -0.249 3.708 3.960 -0.005 0.000 0.292 313 G C 0.592 175.569 174.900 0.130 0.000 1.059 313 G CA 0.394 45.556 45.100 0.104 0.000 0.982 313 G HN 0.286 nan 8.290 nan 0.000 0.505 314 L N -0.274 121.036 121.223 0.145 0.000 2.221 314 L HA 0.177 4.514 4.340 -0.005 0.000 0.202 314 L C 2.062 178.973 176.870 0.068 0.000 1.074 314 L CA 1.206 56.129 54.840 0.138 0.000 0.795 314 L CB -0.616 41.511 42.059 0.114 0.000 0.960 314 L HN 0.527 nan 8.230 nan 0.000 0.458 315 T N -1.054 113.524 114.554 0.040 0.000 2.899 315 T HA 0.441 4.788 4.350 -0.005 0.000 0.284 315 T C -0.542 174.206 174.700 0.079 0.000 1.004 315 T CA -0.498 61.590 62.100 -0.019 0.000 1.043 315 T CB 1.380 70.228 68.868 -0.033 0.000 1.013 315 T HN 0.389 nan 8.240 nan 0.000 0.518 316 H N -1.469 117.606 119.070 0.008 0.000 3.038 316 H HA 0.580 5.132 4.556 -0.007 0.000 0.362 316 H C -1.026 174.311 175.328 0.014 0.000 1.167 316 H CA -0.954 55.102 56.048 0.014 0.000 1.197 316 H CB 1.189 30.955 29.762 0.007 0.000 1.840 316 H HN 0.613 nan 8.280 nan 0.000 0.540 317 E N 1.763 122.080 120.200 0.194 0.000 2.366 317 E HA 0.326 4.673 4.350 -0.005 0.000 0.266 317 E C -0.986 175.739 176.600 0.209 0.000 1.051 317 E CA 0.079 56.551 56.400 0.121 0.000 0.884 317 E CB 1.067 30.822 29.700 0.092 0.000 1.006 317 E HN 0.844 nan 8.360 nan 0.000 0.417 318 D N 1.784 122.245 120.400 0.101 0.000 2.746 318 D HA 0.139 4.776 4.640 -0.005 0.000 0.211 318 D C -0.959 175.376 176.300 0.060 0.000 1.242 318 D CA -0.287 53.781 54.000 0.114 0.000 0.790 318 D CB 0.429 41.348 40.800 0.198 0.000 1.744 318 D HN 0.518 nan 8.370 nan 0.000 0.520 319 K N 2.163 122.595 120.400 0.054 0.000 3.349 319 K HA -0.176 4.140 4.320 -0.005 0.000 0.310 319 K C 0.903 177.524 176.600 0.034 0.000 1.267 319 K CA 0.979 57.289 56.287 0.039 0.000 0.920 319 K CB -1.528 30.994 32.500 0.036 0.000 1.240 319 K HN 1.089 nan 8.250 nan 0.000 0.453 320 G N -1.150 107.672 108.800 0.037 0.000 2.157 320 G HA2 -0.157 3.800 3.960 -0.005 0.000 0.239 320 G HA3 -0.157 3.800 3.960 -0.005 0.000 0.239 320 G C 0.001 174.920 174.900 0.032 0.000 0.982 320 G CA 0.327 45.447 45.100 0.034 0.000 0.650 320 G HN 0.931 nan 8.290 nan 0.000 0.527 321 A N -1.172 121.664 122.820 0.026 0.000 2.469 321 A HA 0.922 5.239 4.320 -0.005 0.000 0.299 321 A C -0.303 177.275 177.584 -0.010 0.000 1.098 321 A CA 0.022 52.069 52.037 0.017 0.000 0.737 321 A CB 2.308 21.319 19.000 0.019 0.000 1.312 321 A HN 1.636 nan 8.150 nan 0.000 0.414 322 V N 2.464 122.367 119.914 -0.018 0.000 2.427 322 V HA 0.757 4.874 4.120 -0.005 0.000 0.286 322 V C -0.926 175.093 176.094 -0.125 0.000 1.034 322 V CA -0.309 61.950 62.300 -0.068 0.000 0.893 322 V CB 0.865 32.679 31.823 -0.016 0.000 0.982 322 V HN 1.199 nan 8.190 nan 0.000 0.452 323 L N 5.470 126.539 121.223 -0.257 0.000 2.341 323 L HA 0.749 5.086 4.340 -0.005 0.000 0.254 323 L C -0.870 175.813 176.870 -0.311 0.000 1.040 323 L CA -0.809 53.878 54.840 -0.256 0.000 0.837 323 L CB 1.870 43.797 42.059 -0.221 0.000 1.425 323 L HN 0.486 nan 8.230 nan 0.000 0.414 324 I N 1.146 121.595 120.570 -0.202 0.000 2.389 324 I HA 0.292 4.459 4.170 -0.005 0.000 0.288 324 I C -0.854 175.255 176.117 -0.014 0.000 0.999 324 I CA -0.305 60.922 61.300 -0.121 0.000 1.129 324 I CB 1.666 39.575 38.000 -0.153 0.000 1.288 324 I HN 0.696 nan 8.210 nan 0.000 0.444 325 D N 7.706 128.146 120.400 0.067 0.000 2.422 325 D HA 0.157 4.794 4.640 -0.005 0.000 0.227 325 D C 0.639 176.981 176.300 0.071 0.000 1.190 325 D CA -0.068 53.982 54.000 0.084 0.000 0.905 325 D CB 1.039 41.911 40.800 0.121 0.000 1.034 325 D HN 0.511 nan 8.370 nan 0.000 0.507 326 L N 2.824 124.109 121.223 0.103 0.000 2.591 326 L HA -0.015 4.322 4.340 -0.005 0.000 0.228 326 L C 2.261 179.178 176.870 0.078 0.000 1.133 326 L CA 0.123 55.096 54.840 0.223 0.000 0.880 326 L CB -0.049 42.133 42.059 0.205 0.000 1.033 326 L HN 0.298 nan 8.230 nan 0.000 0.450 327 T N 0.011 114.553 114.554 -0.019 0.000 2.803 327 T HA -0.201 4.146 4.350 -0.005 0.000 0.269 327 T C 1.863 176.475 174.700 -0.147 0.000 1.052 327 T CA 1.337 63.405 62.100 -0.054 0.000 1.136 327 T CB -0.077 68.763 68.868 -0.046 0.000 0.864 327 T HN 0.373 nan 8.240 nan 0.000 0.467 328 K N 0.245 120.440 120.400 -0.342 0.000 2.097 328 K HA -0.060 4.256 4.320 -0.005 0.000 0.206 328 K C 1.799 178.103 176.600 -0.493 0.000 1.049 328 K CA 1.347 57.324 56.287 -0.517 0.000 0.933 328 K CB -0.256 31.738 32.500 -0.844 0.000 0.717 328 K HN 0.387 nan 8.250 nan 0.000 0.442 329 F N -0.012 119.937 119.950 -0.002 0.000 2.262 329 F HA 0.114 4.635 4.527 -0.011 0.000 0.292 329 F C 1.008 176.805 175.800 -0.004 0.000 1.081 329 F CA 0.037 58.035 58.000 -0.004 0.000 1.355 329 F CB -0.033 38.964 39.000 -0.005 0.000 1.069 329 F HN -0.051 nan 8.300 nan 0.000 0.506 330 N N 0.039 118.831 118.700 0.152 0.000 2.478 330 N HA 0.136 4.873 4.740 -0.005 0.000 0.291 330 N C 0.148 175.684 175.510 0.043 0.000 1.090 330 N CA -0.156 52.945 53.050 0.084 0.000 0.911 330 N CB 1.673 40.214 38.487 0.089 0.000 1.546 330 N HN -0.216 nan 8.380 nan 0.000 0.500 331 K N 2.461 122.873 120.400 0.019 0.000 2.044 331 K HA -0.115 4.202 4.320 -0.005 0.000 0.210 331 K C 1.330 177.938 176.600 0.013 0.000 1.049 331 K CA 1.774 58.066 56.287 0.007 0.000 0.927 331 K CB -0.017 32.484 32.500 0.002 0.000 0.713 331 K HN 0.456 nan 8.250 nan 0.000 0.443 332 K N 0.686 121.096 120.400 0.017 0.000 2.063 332 K HA -0.047 4.270 4.320 -0.005 0.000 0.208 332 K C 1.875 178.486 176.600 0.017 0.000 1.048 332 K CA 1.103 57.399 56.287 0.014 0.000 0.928 332 K CB -0.379 32.128 32.500 0.011 0.000 0.713 332 K HN 0.064 nan 8.250 nan 0.000 0.442 333 L N -0.300 120.939 121.223 0.026 0.000 2.187 333 L HA -0.110 4.227 4.340 -0.005 0.000 0.213 333 L C 1.521 178.410 176.870 0.032 0.000 1.100 333 L CA 0.773 55.631 54.840 0.029 0.000 0.765 333 L CB -1.345 40.745 42.059 0.053 0.000 0.904 333 L HN 0.476 nan 8.230 nan 0.000 0.437 334 G N 0.406 109.224 108.800 0.031 0.000 2.578 334 G HA2 -0.321 3.635 3.960 -0.005 0.000 0.275 334 G HA3 -0.321 3.635 3.960 -0.005 0.000 0.275 334 G C -0.127 174.794 174.900 0.035 0.000 1.271 334 G CA -0.057 45.060 45.100 0.028 0.000 0.941 334 G HN 0.279 nan 8.290 nan 0.000 0.564 335 K N 0.445 120.865 120.400 0.032 0.000 2.164 335 K HA 0.676 4.993 4.320 -0.005 0.000 0.258 335 K C -0.040 176.570 176.600 0.017 0.000 0.951 335 K CA 0.056 56.360 56.287 0.028 0.000 0.844 335 K CB 1.943 34.466 32.500 0.038 0.000 1.099 335 K HN 1.067 nan 8.250 nan 0.000 0.435 336 A N 3.662 126.480 122.820 -0.003 0.000 2.359 336 A HA 0.448 4.764 4.320 -0.005 0.000 0.303 336 A C -0.608 176.957 177.584 -0.032 0.000 1.066 336 A CA -0.820 51.218 52.037 0.001 0.000 0.730 336 A CB 0.687 19.694 19.000 0.011 0.000 1.211 336 A HN 0.548 nan 8.150 nan 0.000 0.439 337 I N 3.591 124.158 120.570 -0.004 0.000 2.496 337 I HA 0.115 4.282 4.170 -0.005 0.000 0.285 337 I C 1.334 177.453 176.117 0.003 0.000 1.080 337 I CA 0.360 61.653 61.300 -0.012 0.000 1.404 337 I CB 1.237 39.249 38.000 0.021 0.000 1.403 337 I HN 0.616 nan 8.210 nan 0.000 0.539 338 V N 2.490 122.390 119.914 -0.023 0.000 3.605 338 V HA 0.319 4.435 4.120 -0.005 0.000 0.284 338 V C 0.345 176.486 176.094 0.078 0.000 1.386 338 V CA 0.022 62.329 62.300 0.012 0.000 1.053 338 V CB 0.068 31.834 31.823 -0.094 0.000 0.857 338 V HN 0.849 nan 8.190 nan 0.000 0.436 339 Q N 1.283 121.120 119.800 0.062 0.000 2.313 339 Q HA 0.333 4.670 4.340 -0.005 0.000 0.255 339 Q C -0.859 175.183 176.000 0.070 0.000 0.944 339 Q CA -0.499 55.356 55.803 0.085 0.000 0.881 339 Q CB 2.260 31.050 28.738 0.087 0.000 1.375 339 Q HN 0.478 nan 8.270 nan 0.000 0.422 340 K N 1.448 121.900 120.400 0.087 0.000 2.319 340 K HA 0.152 4.469 4.320 -0.005 0.000 0.265 340 K C 0.648 177.286 176.600 0.063 0.000 1.000 340 K CA 0.455 56.788 56.287 0.076 0.000 0.943 340 K CB 0.728 33.285 32.500 0.096 0.000 0.950 340 K HN 0.715 nan 8.250 nan 0.000 0.485 341 S N 2.039 117.770 115.700 0.052 0.000 2.400 341 S HA -0.232 4.235 4.470 -0.005 0.000 0.234 341 S C 0.816 175.443 174.600 0.046 0.000 1.049 341 S CA 2.089 60.316 58.200 0.044 0.000 1.039 341 S CB -0.517 62.707 63.200 0.039 0.000 0.856 341 S HN 0.864 nan 8.310 nan 0.000 0.465 342 D N 0.019 120.450 120.400 0.053 0.000 2.338 342 D HA 0.290 4.926 4.640 -0.005 0.000 0.239 342 D C 1.146 177.474 176.300 0.047 0.000 1.095 342 D CA 0.650 54.679 54.000 0.049 0.000 0.888 342 D CB -0.771 40.063 40.800 0.056 0.000 0.899 342 D HN 0.367 nan 8.370 nan 0.000 0.525 343 G N -0.016 108.815 108.800 0.053 0.000 2.184 343 G HA2 -0.318 3.639 3.960 -0.005 0.000 0.264 343 G HA3 -0.318 3.639 3.960 -0.005 0.000 0.264 343 G C 0.562 175.501 174.900 0.064 0.000 0.975 343 G CA 0.695 45.827 45.100 0.053 0.000 0.642 343 G HN 0.781 nan 8.290 nan 0.000 0.536 344 T N -0.489 114.116 114.554 0.085 0.000 2.882 344 T HA 0.590 4.937 4.350 -0.005 0.000 0.287 344 T C 0.814 175.616 174.700 0.169 0.000 1.014 344 T CA 0.531 62.702 62.100 0.119 0.000 1.049 344 T CB 1.567 70.551 68.868 0.195 0.000 1.001 344 T HN 1.219 nan 8.240 nan 0.000 0.525 345 T N 0.275 114.960 114.554 0.218 0.000 2.882 345 T HA 0.622 4.968 4.350 -0.005 0.000 0.287 345 T C 0.011 174.880 174.700 0.281 0.000 1.014 345 T CA -0.977 61.267 62.100 0.240 0.000 1.049 345 T CB 0.328 69.351 68.868 0.257 0.000 1.001 345 T HN 0.587 nan 8.240 nan 0.000 0.525 346 L N 0.492 121.860 121.223 0.242 0.000 2.271 346 L HA 0.412 4.749 4.340 -0.005 0.000 0.265 346 L C 1.177 178.222 176.870 0.292 0.000 1.013 346 L CA -1.273 53.714 54.840 0.245 0.000 0.820 346 L CB 0.984 43.161 42.059 0.197 0.000 1.352 346 L HN 0.720 nan 8.230 nan 0.000 0.443 347 Y N 0.677 121.059 120.300 0.138 0.000 2.069 347 Y HA -0.305 4.242 4.550 -0.004 0.000 0.278 347 Y C 1.984 178.016 175.900 0.220 0.000 1.175 347 Y CA 2.399 60.579 58.100 0.133 0.000 1.134 347 Y CB -0.163 38.308 38.460 0.017 0.000 0.965 347 Y HN 0.444 nan 8.280 nan 0.000 0.498 348 L N -0.023 121.359 121.223 0.265 0.000 2.017 348 L HA -0.161 4.176 4.340 -0.005 0.000 0.208 348 L C 2.736 179.632 176.870 0.043 0.000 1.073 348 L CA 2.736 57.669 54.840 0.156 0.000 0.745 348 L CB -1.335 40.836 42.059 0.187 0.000 0.894 348 L HN 0.526 nan 8.230 nan 0.000 0.432 349 T N -2.261 112.369 114.554 0.127 0.000 2.746 349 T HA -0.243 4.104 4.350 -0.005 0.000 0.267 349 T C 2.046 176.823 174.700 0.128 0.000 1.039 349 T CA 1.517 63.715 62.100 0.163 0.000 1.142 349 T CB -0.456 68.531 68.868 0.199 0.000 0.866 349 T HN 0.444 nan 8.240 nan 0.000 0.444 350 R N 0.766 121.338 120.500 0.120 0.000 2.115 350 R HA -0.002 4.334 4.340 -0.005 0.000 0.230 350 R C 2.402 178.713 176.300 0.018 0.000 1.111 350 R CA 1.372 57.539 56.100 0.112 0.000 0.976 350 R CB -0.323 30.093 30.300 0.193 0.000 0.870 350 R HN 0.490 nan 8.270 nan 0.000 0.445 351 D N 0.306 120.607 120.400 -0.166 0.000 2.117 351 D HA -0.099 4.538 4.640 -0.005 0.000 0.198 351 D C 1.926 177.971 176.300 -0.425 0.000 0.982 351 D CA 0.972 54.667 54.000 -0.509 0.000 0.828 351 D CB 0.165 40.265 40.800 -1.167 0.000 0.967 351 D HN -0.027 nan 8.370 nan 0.000 0.464 352 V N 0.814 120.604 119.914 -0.206 0.000 2.343 352 V HA -0.184 3.933 4.120 -0.005 0.000 0.247 352 V C 2.530 178.678 176.094 0.090 0.000 1.051 352 V CA 2.030 64.361 62.300 0.053 0.000 1.036 352 V CB -0.807 31.160 31.823 0.240 0.000 0.654 352 V HN 0.234 nan 8.190 nan 0.000 0.451 353 G N -0.839 107.998 108.800 0.063 0.000 2.422 353 G HA2 -0.111 3.846 3.960 -0.005 0.000 0.218 353 G HA3 -0.111 3.846 3.960 -0.005 0.000 0.218 353 G C 1.726 176.644 174.900 0.030 0.000 1.140 353 G CA 0.912 46.045 45.100 0.056 0.000 0.775 353 G HN 0.597 nan 8.290 nan 0.000 0.545 354 A N 1.247 124.069 122.820 0.004 0.000 1.898 354 A HA 0.340 4.657 4.320 -0.005 0.000 0.216 354 A C 2.802 180.378 177.584 -0.012 0.000 1.181 354 A CA 2.005 54.032 52.037 -0.016 0.000 0.620 354 A CB -0.749 18.196 19.000 -0.092 0.000 0.819 354 A HN 0.698 nan 8.150 nan 0.000 0.442 355 A N -0.424 122.420 122.820 0.040 0.000 1.940 355 A HA -0.157 4.159 4.320 -0.005 0.000 0.219 355 A C 2.245 179.850 177.584 0.035 0.000 1.176 355 A CA 1.908 54.043 52.037 0.162 0.000 0.631 355 A CB -0.557 18.687 19.000 0.406 0.000 0.814 355 A HN 0.546 nan 8.150 nan 0.000 0.446 356 M N -0.676 118.949 119.600 0.041 0.000 2.132 356 M HA -0.132 4.345 4.480 -0.005 0.000 0.263 356 M C 1.525 177.759 176.300 -0.109 0.000 1.065 356 M CA 1.544 56.803 55.300 -0.067 0.000 1.122 356 M CB -0.459 32.154 32.600 0.021 0.000 1.365 356 M HN 0.312 nan 8.290 nan 0.000 0.411 357 D N 0.193 120.557 120.400 -0.059 0.000 2.117 357 D HA -0.106 4.531 4.640 -0.005 0.000 0.198 357 D C 2.095 178.332 176.300 -0.106 0.000 0.982 357 D CA 1.202 55.154 54.000 -0.079 0.000 0.828 357 D CB -0.265 40.509 40.800 -0.044 0.000 0.967 357 D HN 0.348 nan 8.370 nan 0.000 0.464 358 R N -0.303 120.185 120.500 -0.021 0.000 2.091 358 R HA -0.180 4.157 4.340 -0.005 0.000 0.238 358 R C 2.347 178.688 176.300 0.069 0.000 1.136 358 R CA 0.996 57.172 56.100 0.127 0.000 0.959 358 R CB -0.477 29.917 30.300 0.156 0.000 0.856 358 R HN 0.257 nan 8.270 nan 0.000 0.437 359 Y N 1.743 121.846 120.300 -0.329 0.000 2.242 359 Y HA -0.204 4.343 4.550 -0.005 0.000 0.291 359 Y C 2.290 177.707 175.900 -0.805 0.000 1.137 359 Y CA 1.659 59.242 58.100 -0.862 0.000 1.181 359 Y CB -0.070 37.380 38.460 -1.684 0.000 0.989 359 Y HN -0.024 nan 8.280 nan 0.000 0.527 360 E N 0.679 120.517 120.200 -0.603 0.000 2.106 360 E HA -0.194 4.153 4.350 -0.005 0.000 0.192 360 E C 2.131 178.276 176.600 -0.759 0.000 0.984 360 E CA 1.626 57.658 56.400 -0.613 0.000 0.806 360 E CB -0.245 29.293 29.700 -0.269 0.000 0.750 360 E HN 0.467 nan 8.360 nan 0.000 0.458 361 K N -1.631 118.399 120.400 -0.616 0.000 2.186 361 K HA -0.064 4.253 4.320 -0.005 0.000 0.202 361 K C 1.002 177.110 176.600 -0.821 0.000 1.052 361 K CA 0.854 56.730 56.287 -0.684 0.000 0.965 361 K CB 0.075 32.135 32.500 -0.734 0.000 0.746 361 K HN 0.177 nan 8.250 nan 0.000 0.457 362 Y N -1.097 118.947 120.300 -0.427 0.000 2.535 362 Y HA 0.185 4.731 4.550 -0.006 0.000 0.264 362 Y C -0.170 175.540 175.900 -0.317 0.000 1.087 362 Y CA -0.222 57.724 58.100 -0.257 0.000 1.285 362 Y CB 0.504 38.928 38.460 -0.059 0.000 1.200 362 Y HN 0.069 nan 8.280 nan 0.000 0.514 363 H N 0.192 118.956 119.070 -0.510 0.000 2.748 363 H HA -0.167 4.385 4.556 -0.007 0.000 0.322 363 H C -0.347 174.762 175.328 -0.365 0.000 1.208 363 H CA 0.365 55.884 56.048 -0.880 0.000 1.151 363 H CB -2.294 27.123 29.762 -0.574 0.000 1.505 363 H HN 0.330 nan 8.280 nan 0.000 0.429 364 F N -0.675 119.289 119.950 0.024 0.000 2.496 364 F HA 0.260 4.784 4.527 -0.004 0.000 0.344 364 F C 1.145 177.082 175.800 0.227 0.000 1.155 364 F CA -0.622 57.453 58.000 0.125 0.000 1.302 364 F CB 0.700 39.738 39.000 0.063 0.000 1.159 364 F HN -0.101 nan 8.300 nan 0.000 0.595 365 D N -0.053 120.651 120.400 0.506 0.000 2.346 365 D HA 0.028 4.665 4.640 -0.005 0.000 0.206 365 D C 0.196 176.832 176.300 0.560 0.000 1.001 365 D CA 0.732 54.996 54.000 0.441 0.000 0.871 365 D CB 0.378 41.361 40.800 0.305 0.000 0.943 365 D HN 0.582 nan 8.370 nan 0.000 0.518 366 K N 0.368 121.117 120.400 0.580 0.000 2.578 366 K HA 0.358 4.675 4.320 -0.005 0.000 0.269 366 K C -2.042 174.476 176.600 -0.137 0.000 0.941 366 K CA -0.561 55.894 56.287 0.279 0.000 0.847 366 K CB 2.325 34.938 32.500 0.188 0.000 1.397 366 K HN -0.121 nan 8.250 nan 0.000 0.422 367 M N 5.704 125.093 119.600 -0.352 0.000 2.213 367 M HA 0.475 4.951 4.480 -0.005 0.000 0.286 367 M C -1.878 174.230 176.300 -0.319 0.000 1.008 367 M CA -0.554 54.381 55.300 -0.608 0.000 0.937 367 M CB 1.379 33.315 32.600 -1.108 0.000 1.600 367 M HN 0.565 nan 8.290 nan 0.000 0.450 368 I N 5.156 125.516 120.570 -0.350 0.000 2.362 368 I HA 0.316 4.483 4.170 -0.005 0.000 0.289 368 I C -1.469 174.583 176.117 -0.108 0.000 0.994 368 I CA -0.710 60.492 61.300 -0.163 0.000 1.158 368 I CB 1.279 39.095 38.000 -0.306 0.000 1.315 368 I HN 0.622 nan 8.210 nan 0.000 0.451 369 Y N 5.430 125.782 120.300 0.088 0.000 2.353 369 Y HA 0.347 4.893 4.550 -0.006 0.000 0.340 369 Y C 0.124 176.156 175.900 0.220 0.000 0.972 369 Y CA -0.776 57.414 58.100 0.149 0.000 1.157 369 Y CB 1.446 40.023 38.460 0.194 0.000 1.157 369 Y HN 0.187 nan 8.280 nan 0.000 0.495 370 V N 6.733 126.857 119.914 0.350 0.000 2.304 370 V HA 0.336 4.453 4.120 -0.005 0.000 0.262 370 V C -0.010 176.378 176.094 0.489 0.000 1.061 370 V CA -0.329 62.206 62.300 0.392 0.000 0.872 370 V CB -0.601 31.413 31.823 0.319 0.000 1.077 370 V HN 0.596 nan 8.190 nan 0.000 0.480 371 I N 2.858 123.702 120.570 0.457 0.000 2.730 371 I HA 0.679 4.846 4.170 -0.005 0.000 0.298 371 I C 0.553 176.575 176.117 -0.158 0.000 1.089 371 I CA -0.965 60.497 61.300 0.270 0.000 1.041 371 I CB 2.074 40.163 38.000 0.148 0.000 1.235 371 I HN 0.530 nan 8.210 nan 0.000 0.423 372 A N 2.556 124.993 122.820 -0.638 0.000 2.520 372 A HA 0.157 4.474 4.320 -0.005 0.000 0.235 372 A C 1.312 178.641 177.584 -0.425 0.000 1.065 372 A CA 0.428 51.779 52.037 -1.144 0.000 0.764 372 A CB 0.150 18.773 19.000 -0.628 0.000 1.002 372 A HN 0.949 nan 8.150 nan 0.000 0.502 373 S N 0.797 116.257 115.700 -0.399 0.000 2.469 373 S HA -0.227 4.240 4.470 -0.005 0.000 0.238 373 S C 1.589 176.137 174.600 -0.087 0.000 0.998 373 S CA 1.341 59.446 58.200 -0.159 0.000 0.957 373 S CB -0.405 62.708 63.200 -0.144 0.000 0.764 373 S HN 0.850 nan 8.310 nan 0.000 0.514 374 Q N 0.780 120.507 119.800 -0.121 0.000 2.364 374 Q HA -0.047 4.290 4.340 -0.005 0.000 0.209 374 Q C 1.372 177.353 176.000 -0.031 0.000 0.977 374 Q CA 1.066 56.827 55.803 -0.069 0.000 0.885 374 Q CB -0.092 28.599 28.738 -0.078 0.000 0.941 374 Q HN 0.705 nan 8.270 nan 0.000 0.464 375 Q N -0.479 119.311 119.800 -0.017 0.000 2.186 375 Q HA 0.041 4.378 4.340 -0.005 0.000 0.241 375 Q C 0.080 176.106 176.000 0.044 0.000 0.849 375 Q CA -0.342 55.484 55.803 0.038 0.000 1.053 375 Q CB 0.824 29.593 28.738 0.052 0.000 1.146 375 Q HN 0.328 nan 8.270 nan 0.000 0.475 376 D N 1.025 121.463 120.400 0.064 0.000 2.104 376 D HA -0.175 4.461 4.640 -0.005 0.000 0.194 376 D C 1.738 178.024 176.300 -0.023 0.000 0.994 376 D CA 1.015 55.062 54.000 0.078 0.000 0.830 376 D CB 0.265 41.084 40.800 0.032 0.000 0.959 376 D HN 0.233 nan 8.370 nan 0.000 0.452 377 L N 0.480 121.702 121.223 -0.001 0.000 2.017 377 L HA -0.175 4.162 4.340 -0.005 0.000 0.208 377 L C 2.310 179.166 176.870 -0.024 0.000 1.073 377 L CA 1.907 56.740 54.840 -0.011 0.000 0.745 377 L CB -0.911 41.162 42.059 0.024 0.000 0.894 377 L HN 0.066 nan 8.230 nan 0.000 0.432 378 H N -0.181 118.859 119.070 -0.051 0.000 2.265 378 H HA -0.194 4.359 4.556 -0.004 0.000 0.295 378 H C 2.050 177.306 175.328 -0.121 0.000 1.084 378 H CA 2.377 58.416 56.048 -0.014 0.000 1.261 378 H CB -0.410 29.394 29.762 0.069 0.000 1.360 378 H HN 0.437 nan 8.280 nan 0.000 0.487 379 A N 0.724 123.305 122.820 -0.398 0.000 1.908 379 A HA -0.095 4.221 4.320 -0.005 0.000 0.218 379 A C 2.631 179.508 177.584 -1.178 0.000 1.181 379 A CA 1.983 53.407 52.037 -1.022 0.000 0.627 379 A CB -1.381 16.870 19.000 -1.248 0.000 0.818 379 A HN 0.674 nan 8.150 nan 0.000 0.445 380 A N -0.946 121.505 122.820 -0.616 0.000 1.969 380 A HA -0.153 4.164 4.320 -0.005 0.000 0.218 380 A C 2.108 179.532 177.584 -0.267 0.000 1.169 380 A CA 1.538 53.337 52.037 -0.397 0.000 0.635 380 A CB -0.412 18.477 19.000 -0.184 0.000 0.810 380 A HN 0.680 nan 8.150 nan 0.000 0.445 381 Q N -1.244 118.414 119.800 -0.238 0.000 2.062 381 Q HA -0.081 4.255 4.340 -0.005 0.000 0.196 381 Q C 1.868 177.824 176.000 -0.072 0.000 0.967 381 Q CA 1.593 57.329 55.803 -0.111 0.000 0.832 381 Q CB -0.333 28.371 28.738 -0.056 0.000 0.899 381 Q HN 0.906 nan 8.270 nan 0.000 0.442 382 F N -0.992 118.819 119.950 -0.232 0.000 2.604 382 F HA 0.011 4.534 4.527 -0.007 0.000 0.298 382 F C 1.337 177.177 175.800 0.066 0.000 1.131 382 F CA 0.358 58.279 58.000 -0.131 0.000 1.457 382 F CB -0.179 38.660 39.000 -0.269 0.000 1.095 382 F HN -0.120 nan 8.300 nan 0.000 0.574 383 F N 1.453 121.030 119.950 -0.623 0.000 2.149 383 F HA 0.047 4.571 4.527 -0.005 0.000 0.294 383 F C 2.572 178.235 175.800 -0.229 0.000 1.095 383 F CA 1.374 59.085 58.000 -0.482 0.000 1.276 383 F CB -1.124 37.576 39.000 -0.500 0.000 1.023 383 F HN 0.087 nan 8.300 nan 0.000 0.480 384 E N 0.800 121.004 120.200 0.007 0.000 2.077 384 E HA -0.172 4.175 4.350 -0.005 0.000 0.193 384 E C 2.228 178.757 176.600 -0.119 0.000 0.989 384 E CA 1.386 57.744 56.400 -0.070 0.000 0.800 384 E CB -0.523 29.145 29.700 -0.052 0.000 0.746 384 E HN 0.411 nan 8.360 nan 0.000 0.452 385 I N 0.157 120.707 120.570 -0.033 0.000 2.163 385 I HA -0.305 3.861 4.170 -0.005 0.000 0.243 385 I C 2.313 178.461 176.117 0.051 0.000 1.085 385 I CA 1.081 62.383 61.300 0.004 0.000 1.347 385 I CB -0.323 37.731 38.000 0.091 0.000 1.044 385 I HN 0.169 nan 8.210 nan 0.000 0.408 386 L N 0.523 121.807 121.223 0.101 0.000 2.131 386 L HA -0.241 4.096 4.340 -0.005 0.000 0.210 386 L C 2.632 179.470 176.870 -0.054 0.000 1.092 386 L CA 1.355 56.261 54.840 0.111 0.000 0.759 386 L CB -0.568 41.512 42.059 0.035 0.000 0.903 386 L HN 0.260 nan 8.230 nan 0.000 0.435 387 K N -0.257 120.058 120.400 -0.141 0.000 2.001 387 K HA -0.193 4.124 4.320 -0.005 0.000 0.208 387 K C 2.117 178.573 176.600 -0.240 0.000 1.048 387 K CA 1.184 57.348 56.287 -0.205 0.000 0.932 387 K CB 0.053 32.438 32.500 -0.192 0.000 0.715 387 K HN 0.182 nan 8.250 nan 0.000 0.437 388 Q N 0.098 119.718 119.800 -0.301 0.000 2.439 388 Q HA -0.085 4.252 4.340 -0.005 0.000 0.211 388 Q C 1.714 177.584 176.000 -0.217 0.000 0.978 388 Q CA 1.059 56.648 55.803 -0.356 0.000 0.897 388 Q CB -0.077 28.279 28.738 -0.637 0.000 0.956 388 Q HN 0.478 nan 8.270 nan 0.000 0.483 389 M N -1.386 118.100 119.600 -0.190 0.000 2.619 389 M HA 0.037 4.514 4.480 -0.005 0.000 0.251 389 M C 0.935 176.935 176.300 -0.500 0.000 1.106 389 M CA 0.873 56.019 55.300 -0.257 0.000 1.086 389 M CB 0.318 32.809 32.600 -0.182 0.000 1.465 389 M HN 0.379 nan 8.290 nan 0.000 0.506 390 G N -0.027 108.524 108.800 -0.414 0.000 2.194 390 G HA2 -0.230 3.726 3.960 -0.005 0.000 0.236 390 G HA3 -0.230 3.726 3.960 -0.005 0.000 0.236 390 G C -0.071 174.570 174.900 -0.431 0.000 0.987 390 G CA -0.657 44.207 45.100 -0.393 0.000 0.635 390 G HN 0.317 nan 8.290 nan 0.000 0.520 391 F N 2.516 122.230 119.950 -0.393 0.000 2.571 391 F HA 0.344 4.876 4.527 0.008 0.000 0.384 391 F C 1.889 177.292 175.800 -0.661 0.000 1.058 391 F CA 0.269 57.852 58.000 -0.695 0.000 1.200 391 F CB 0.731 38.906 39.000 -1.375 0.000 1.077 391 F HN 0.472 nan 8.300 nan 0.000 0.558 392 E N 4.449 124.488 120.200 -0.268 0.000 2.107 392 E HA -0.178 4.169 4.350 -0.005 0.000 0.191 392 E C 1.560 178.074 176.600 -0.145 0.000 0.982 392 E CA 1.320 57.632 56.400 -0.146 0.000 0.809 392 E CB -0.491 29.204 29.700 -0.009 0.000 0.756 392 E HN 0.825 nan 8.360 nan 0.000 0.459 393 W N 0.840 122.042 121.300 -0.162 0.000 2.825 393 W HA 0.363 5.022 4.660 -0.002 0.000 0.243 393 W C 1.673 178.147 176.519 -0.075 0.000 1.293 393 W CA 0.279 57.497 57.345 -0.212 0.000 1.403 393 W CB -0.377 28.661 29.460 -0.704 0.000 1.134 393 W HN 0.098 nan 8.180 nan 0.000 0.666 394 A N 2.867 125.418 122.820 -0.448 0.000 1.978 394 A HA -0.285 4.032 4.320 -0.005 0.000 0.220 394 A C 2.151 179.636 177.584 -0.165 0.000 1.170 394 A CA 2.448 54.267 52.037 -0.363 0.000 0.636 394 A CB -0.800 17.947 19.000 -0.422 0.000 0.810 394 A HN 0.510 nan 8.150 nan 0.000 0.448 395 K N -0.896 119.452 120.400 -0.086 0.000 2.439 395 K HA -0.047 4.270 4.320 -0.005 0.000 0.197 395 K C 0.037 176.658 176.600 0.035 0.000 1.041 395 K CA 1.303 57.569 56.287 -0.034 0.000 0.970 395 K CB -0.048 32.448 32.500 -0.007 0.000 0.773 395 K HN 0.246 nan 8.250 nan 0.000 0.479 396 D N 0.710 121.185 120.400 0.125 0.000 2.328 396 D HA 0.069 4.706 4.640 -0.005 0.000 0.221 396 D C -0.400 175.977 176.300 0.127 0.000 1.072 396 D CA 0.084 54.207 54.000 0.205 0.000 0.850 396 D CB 0.238 41.268 40.800 0.384 0.000 0.922 396 D HN 0.103 nan 8.370 nan 0.000 0.516 397 L N 0.977 122.177 121.223 -0.039 0.000 2.312 397 L HA 0.333 4.670 4.340 -0.005 0.000 0.281 397 L C 0.080 176.833 176.870 -0.195 0.000 1.070 397 L CA -0.192 54.508 54.840 -0.234 0.000 0.805 397 L CB 1.426 43.060 42.059 -0.707 0.000 1.174 397 L HN -0.157 nan 8.230 nan 0.000 0.434 398 Q N 2.091 121.954 119.800 0.105 0.000 2.331 398 Q HA 0.317 4.654 4.340 -0.005 0.000 0.272 398 Q C -1.530 174.803 176.000 0.556 0.000 1.062 398 Q CA -0.679 55.323 55.803 0.331 0.000 0.806 398 Q CB 1.539 30.403 28.738 0.211 0.000 1.312 398 Q HN 0.737 nan 8.270 nan 0.000 0.431 399 H N 3.406 122.706 119.070 0.385 0.000 2.541 399 H HA 0.476 5.029 4.556 -0.006 0.000 0.316 399 H C -1.367 174.036 175.328 0.125 0.000 1.043 399 H CA -0.774 55.376 56.048 0.169 0.000 1.232 399 H CB 1.060 30.714 29.762 -0.179 0.000 1.406 399 H HN 0.373 nan 8.280 nan 0.000 0.469 400 V N 7.208 127.259 119.914 0.229 0.000 2.318 400 V HA 0.044 4.160 4.120 -0.005 0.000 0.271 400 V C 0.062 176.173 176.094 0.027 0.000 1.030 400 V CA -0.736 61.608 62.300 0.075 0.000 0.844 400 V CB 0.515 32.398 31.823 0.100 0.000 1.015 400 V HN 0.819 nan 8.190 nan 0.000 0.460 401 N N 4.578 123.128 118.700 -0.251 0.000 2.538 401 N HA 0.745 5.482 4.740 -0.005 0.000 0.292 401 N C -0.714 174.815 175.510 0.032 0.000 1.262 401 N CA -0.619 52.280 53.050 -0.250 0.000 0.976 401 N CB 1.395 39.588 38.487 -0.489 0.000 1.161 401 N HN 0.425 nan 8.380 nan 0.000 0.598 402 F N -5.010 114.949 119.950 0.015 0.000 2.719 402 F HA 0.738 5.262 4.527 -0.005 0.000 0.309 402 F C 0.019 175.833 175.800 0.024 0.000 1.138 402 F CA -1.423 56.597 58.000 0.033 0.000 0.943 402 F CB 0.706 39.742 39.000 0.059 0.000 1.304 402 F HN 0.597 nan 8.300 nan 0.000 0.445 403 G N 1.036 109.996 108.800 0.266 0.000 2.580 403 G HA2 0.537 4.494 3.960 -0.005 0.000 0.278 403 G HA3 0.537 4.494 3.960 -0.005 0.000 0.278 403 G C -0.813 174.194 174.900 0.178 0.000 1.212 403 G CA -1.136 44.048 45.100 0.140 0.000 0.939 403 G HN 0.753 nan 8.290 nan 0.000 0.513 404 M N -0.185 119.437 119.600 0.037 0.000 2.274 404 M HA 0.250 4.726 4.480 -0.005 0.000 0.344 404 M C -0.332 175.849 176.300 -0.198 0.000 1.161 404 M CA -0.474 54.807 55.300 -0.030 0.000 1.126 404 M CB 1.907 34.474 32.600 -0.054 0.000 1.522 404 M HN 0.032 nan 8.290 nan 0.000 0.461 405 V N 3.275 123.024 119.914 -0.275 0.000 2.368 405 V HA 0.146 4.263 4.120 -0.005 0.000 0.266 405 V C -0.076 175.876 176.094 -0.236 0.000 1.045 405 V CA -0.348 61.665 62.300 -0.479 0.000 0.899 405 V CB 0.573 32.165 31.823 -0.385 0.000 1.006 405 V HN 0.800 nan 8.190 nan 0.000 0.470 406 Q N 2.516 122.216 119.800 -0.167 0.000 2.214 406 Q HA 0.654 4.990 4.340 -0.005 0.000 0.251 406 Q C 0.986 176.972 176.000 -0.023 0.000 0.936 406 Q CA 0.237 55.992 55.803 -0.080 0.000 0.894 406 Q CB 1.677 30.388 28.738 -0.046 0.000 1.252 406 Q HN 0.994 nan 8.270 nan 0.000 0.448 407 G N 1.091 109.872 108.800 -0.031 0.000 2.159 407 G HA2 -0.131 3.825 3.960 -0.005 0.000 0.170 407 G HA3 -0.131 3.825 3.960 -0.005 0.000 0.170 407 G C -0.298 174.569 174.900 -0.055 0.000 1.007 407 G CA -0.679 44.423 45.100 0.004 0.000 0.672 407 G HN 0.325 nan 8.290 nan 0.000 0.507 408 M N 0.916 120.440 119.600 -0.126 0.000 2.404 408 M HA 0.764 5.241 4.480 -0.005 0.000 0.338 408 M C -0.179 176.026 176.300 -0.157 0.000 1.150 408 M CA -0.462 54.714 55.300 -0.207 0.000 1.016 408 M CB 1.445 33.829 32.600 -0.360 0.000 1.672 408 M HN 0.100 nan 8.290 nan 0.000 0.448 409 S N 0.384 116.005 115.700 -0.133 0.000 2.590 409 S HA 0.219 4.686 4.470 -0.005 0.000 0.286 409 S C 0.723 175.297 174.600 -0.043 0.000 1.147 409 S CA -0.573 57.580 58.200 -0.079 0.000 0.963 409 S CB 1.617 64.791 63.200 -0.043 0.000 1.124 409 S HN 0.849 nan 8.310 nan 0.000 0.458 410 T N 0.992 115.531 114.554 -0.024 0.000 2.732 410 T HA -0.127 4.220 4.350 -0.005 0.000 0.261 410 T C 1.376 176.099 174.700 0.038 0.000 1.040 410 T CA 0.861 62.982 62.100 0.035 0.000 1.145 410 T CB -0.371 68.539 68.868 0.069 0.000 0.866 410 T HN 0.541 nan 8.240 nan 0.000 0.427 411 R N 1.212 121.721 120.500 0.015 0.000 2.526 411 R HA 0.438 4.775 4.340 -0.005 0.000 0.223 411 R C 1.197 177.502 176.300 0.008 0.000 1.250 411 R CA 0.476 56.580 56.100 0.007 0.000 1.227 411 R CB -0.414 29.883 30.300 -0.004 0.000 1.109 411 R HN 0.407 nan 8.270 nan 0.000 0.499 412 K N -0.927 119.482 120.400 0.016 0.000 2.590 412 K HA 0.219 4.536 4.320 -0.005 0.000 0.218 412 K C 0.857 177.479 176.600 0.036 0.000 1.536 412 K CA 0.680 56.979 56.287 0.019 0.000 1.013 412 K CB 0.476 32.982 32.500 0.010 0.000 1.265 412 K HN 0.191 nan 8.250 nan 0.000 0.603 413 G N 0.546 109.375 108.800 0.048 0.000 2.153 413 G HA2 -0.274 3.682 3.960 -0.005 0.000 0.252 413 G HA3 -0.274 3.682 3.960 -0.005 0.000 0.252 413 G C 0.571 175.517 174.900 0.075 0.000 0.994 413 G CA 0.950 46.098 45.100 0.080 0.000 0.698 413 G HN 0.365 nan 8.290 nan 0.000 0.521 414 T N 0.078 114.654 114.554 0.036 0.000 3.188 414 T HA 0.405 4.752 4.350 -0.005 0.000 0.250 414 T C 1.261 175.941 174.700 -0.033 0.000 1.077 414 T CA 0.798 62.915 62.100 0.028 0.000 0.967 414 T CB -0.556 68.325 68.868 0.021 0.000 1.006 414 T HN 1.281 nan 8.240 nan 0.000 0.552 415 V N 0.476 120.359 119.914 -0.053 0.000 2.583 415 V HA 0.663 4.780 4.120 -0.005 0.000 0.287 415 V C -0.101 175.897 176.094 -0.160 0.000 1.051 415 V CA -0.742 61.442 62.300 -0.193 0.000 1.010 415 V CB 1.205 32.870 31.823 -0.263 0.000 0.988 415 V HN -0.002 nan 8.190 nan 0.000 0.478 416 V N 5.451 125.156 119.914 -0.347 0.000 2.409 416 V HA 0.479 4.596 4.120 -0.005 0.000 0.291 416 V C -0.267 175.694 176.094 -0.221 0.000 1.020 416 V CA -0.346 61.803 62.300 -0.251 0.000 0.848 416 V CB 1.087 32.461 31.823 -0.749 0.000 0.990 416 V HN 0.766 nan 8.190 nan 0.000 0.430 417 F N 3.637 123.574 119.950 -0.021 0.000 2.399 417 F HA 0.297 4.821 4.527 -0.005 0.000 0.342 417 F C 1.010 176.838 175.800 0.046 0.000 1.106 417 F CA -0.488 57.532 58.000 0.034 0.000 1.196 417 F CB 0.716 39.743 39.000 0.046 0.000 1.163 417 F HN 0.365 nan 8.300 nan 0.000 0.547 418 L N 1.893 123.240 121.223 0.207 0.000 2.013 418 L HA -0.234 4.103 4.340 -0.005 0.000 0.212 418 L C 1.922 178.895 176.870 0.172 0.000 1.073 418 L CA 1.964 56.906 54.840 0.170 0.000 0.753 418 L CB -0.649 41.517 42.059 0.177 0.000 0.890 418 L HN 0.585 nan 8.230 nan 0.000 0.432 419 D N -0.885 119.611 120.400 0.161 0.000 2.149 419 D HA -0.224 4.412 4.640 -0.005 0.000 0.198 419 D C 1.864 178.255 176.300 0.152 0.000 0.990 419 D CA 1.530 55.597 54.000 0.112 0.000 0.839 419 D CB -0.213 40.622 40.800 0.058 0.000 0.948 419 D HN 0.459 nan 8.370 nan 0.000 0.460 420 N N 0.749 119.577 118.700 0.213 0.000 2.216 420 N HA -0.075 4.662 4.740 -0.005 0.000 0.183 420 N C 1.884 177.628 175.510 0.390 0.000 1.017 420 N CA 0.568 53.776 53.050 0.262 0.000 0.861 420 N CB -0.133 38.537 38.487 0.305 0.000 0.986 420 N HN 0.148 nan 8.380 nan 0.000 0.428 421 I N -0.352 120.448 120.570 0.384 0.000 2.202 421 I HA -0.219 3.948 4.170 -0.005 0.000 0.242 421 I C 1.653 177.990 176.117 0.367 0.000 1.091 421 I CA 0.537 62.106 61.300 0.449 0.000 1.368 421 I CB -0.217 37.913 38.000 0.217 0.000 1.058 421 I HN 0.162 nan 8.210 nan 0.000 0.410 422 L N 0.641 122.006 121.223 0.238 0.000 2.017 422 L HA -0.223 4.114 4.340 -0.005 0.000 0.208 422 L C 2.529 179.498 176.870 0.164 0.000 1.073 422 L CA 1.807 56.753 54.840 0.177 0.000 0.745 422 L CB -1.103 41.027 42.059 0.118 0.000 0.894 422 L HN 0.217 nan 8.230 nan 0.000 0.432 423 E N -0.213 120.080 120.200 0.155 0.000 2.051 423 E HA -0.257 4.090 4.350 -0.005 0.000 0.192 423 E C 2.140 178.818 176.600 0.130 0.000 0.991 423 E CA 1.426 57.898 56.400 0.120 0.000 0.799 423 E CB -0.037 29.722 29.700 0.098 0.000 0.748 423 E HN 0.392 nan 8.360 nan 0.000 0.449 424 E N -0.717 119.590 120.200 0.179 0.000 2.072 424 E HA -0.109 4.238 4.350 -0.005 0.000 0.191 424 E C 1.943 178.633 176.600 0.150 0.000 0.985 424 E CA 1.951 58.423 56.400 0.120 0.000 0.801 424 E CB -0.525 29.211 29.700 0.060 0.000 0.750 424 E HN 0.287 nan 8.360 nan 0.000 0.452 425 T N 0.585 115.288 114.554 0.249 0.000 2.788 425 T HA -0.153 4.194 4.350 -0.005 0.000 0.268 425 T C 1.743 176.529 174.700 0.143 0.000 1.044 425 T CA 1.474 63.705 62.100 0.218 0.000 1.139 425 T CB -0.242 68.771 68.868 0.241 0.000 0.867 425 T HN 0.196 nan 8.240 nan 0.000 0.454 426 K N 1.237 121.714 120.400 0.128 0.000 2.032 426 K HA -0.181 4.136 4.320 -0.005 0.000 0.209 426 K C 2.151 178.817 176.600 0.110 0.000 1.048 426 K CA 1.663 58.008 56.287 0.097 0.000 0.927 426 K CB -0.085 32.462 32.500 0.079 0.000 0.712 426 K HN 0.412 nan 8.250 nan 0.000 0.441 427 E N 0.288 120.553 120.200 0.109 0.000 2.110 427 E HA -0.219 4.128 4.350 -0.005 0.000 0.193 427 E C 1.994 178.642 176.600 0.080 0.000 0.988 427 E CA 1.127 57.595 56.400 0.113 0.000 0.804 427 E CB -0.010 29.728 29.700 0.064 0.000 0.745 427 E HN 0.157 nan 8.360 nan 0.000 0.458 428 K N 0.854 121.290 120.400 0.060 0.000 2.025 428 K HA -0.111 4.206 4.320 -0.005 0.000 0.207 428 K C 1.943 178.542 176.600 -0.002 0.000 1.049 428 K CA 1.334 57.639 56.287 0.029 0.000 0.933 428 K CB -0.042 32.496 32.500 0.064 0.000 0.714 428 K HN -0.019 nan 8.250 nan 0.000 0.438 429 M N -0.083 119.535 119.600 0.029 0.000 2.229 429 M HA -0.113 4.364 4.480 -0.005 0.000 0.264 429 M C 2.229 178.560 176.300 0.051 0.000 1.063 429 M CA 1.673 56.967 55.300 -0.010 0.000 1.114 429 M CB -1.307 31.312 32.600 0.033 0.000 1.387 429 M HN 0.430 nan 8.290 nan 0.000 0.420 430 H N 0.212 119.274 119.070 -0.013 0.000 2.353 430 H HA -0.137 4.415 4.556 -0.005 0.000 0.300 430 H C 1.837 177.138 175.328 -0.045 0.000 1.090 430 H CA 1.424 57.481 56.048 0.016 0.000 1.327 430 H CB 0.390 30.174 29.762 0.037 0.000 1.383 430 H HN 0.463 nan 8.280 nan 0.000 0.508 431 E N -0.117 120.068 120.200 -0.026 0.000 2.051 431 E HA -0.147 4.199 4.350 -0.005 0.000 0.192 431 E C 2.392 178.899 176.600 -0.155 0.000 0.991 431 E CA 1.276 57.589 56.400 -0.144 0.000 0.799 431 E CB 0.133 29.767 29.700 -0.110 0.000 0.748 431 E HN 0.269 nan 8.360 nan 0.000 0.449 432 V N 1.389 121.194 119.914 -0.182 0.000 2.407 432 V HA -0.289 3.828 4.120 -0.005 0.000 0.248 432 V C 2.342 178.341 176.094 -0.158 0.000 1.055 432 V CA 1.722 63.857 62.300 -0.276 0.000 1.049 432 V CB -0.385 31.083 31.823 -0.592 0.000 0.662 432 V HN 0.349 nan 8.190 nan 0.000 0.455 433 M N -0.325 119.242 119.600 -0.054 0.000 2.108 433 M HA -0.242 4.235 4.480 -0.005 0.000 0.261 433 M C 2.234 178.551 176.300 0.028 0.000 1.066 433 M CA 1.892 57.246 55.300 0.089 0.000 1.107 433 M CB -0.209 32.559 32.600 0.279 0.000 1.356 433 M HN 0.221 nan 8.290 nan 0.000 0.406 434 K N -0.109 120.154 120.400 -0.228 0.000 2.211 434 K HA -0.130 4.186 4.320 -0.005 0.000 0.203 434 K C 1.782 178.223 176.600 -0.265 0.000 1.050 434 K CA 1.092 57.058 56.287 -0.536 0.000 0.945 434 K CB -0.087 32.058 32.500 -0.590 0.000 0.732 434 K HN 0.423 nan 8.250 nan 0.000 0.451 435 K N 0.801 121.109 120.400 -0.153 0.000 2.152 435 K HA -0.120 4.196 4.320 -0.005 0.000 0.206 435 K C 0.933 177.509 176.600 -0.039 0.000 1.048 435 K CA 0.699 56.933 56.287 -0.088 0.000 0.933 435 K CB -0.108 32.352 32.500 -0.066 0.000 0.721 435 K HN 0.037 nan 8.250 nan 0.000 0.447 436 N N 1.710 120.408 118.700 -0.004 0.000 2.767 436 N HA 0.007 4.744 4.740 -0.005 0.000 0.238 436 N C 0.043 175.599 175.510 0.077 0.000 1.083 436 N CA 0.122 53.198 53.050 0.043 0.000 0.964 436 N CB 0.604 39.134 38.487 0.072 0.000 1.252 436 N HN 0.131 nan 8.380 nan 0.000 0.512 437 E N 1.418 121.647 120.200 0.048 0.000 2.086 437 E HA -0.308 4.039 4.350 -0.005 0.000 0.200 437 E C 1.182 177.851 176.600 0.116 0.000 1.012 437 E CA 1.440 57.886 56.400 0.077 0.000 0.812 437 E CB 0.032 29.755 29.700 0.038 0.000 0.743 437 E HN 0.565 nan 8.360 nan 0.000 0.453 438 N N 0.835 119.584 118.700 0.083 0.000 2.043 438 N HA -0.193 4.544 4.740 -0.005 0.000 0.193 438 N C 1.585 177.145 175.510 0.082 0.000 1.037 438 N CA 1.548 54.641 53.050 0.073 0.000 0.851 438 N CB 0.104 38.626 38.487 0.058 0.000 1.027 438 N HN -0.068 nan 8.380 nan 0.000 0.422 439 K N -0.412 120.046 120.400 0.096 0.000 2.057 439 K HA -0.137 4.180 4.320 -0.005 0.000 0.206 439 K C 1.958 178.623 176.600 0.108 0.000 1.050 439 K CA 0.818 57.160 56.287 0.092 0.000 0.935 439 K CB -0.923 31.639 32.500 0.104 0.000 0.715 439 K HN 0.373 nan 8.250 nan 0.000 0.439 440 Y N 1.868 122.184 120.300 0.026 0.000 2.128 440 Y HA -0.237 4.309 4.550 -0.005 0.000 0.284 440 Y C 2.069 177.981 175.900 0.020 0.000 1.154 440 Y CA 1.715 59.832 58.100 0.029 0.000 1.149 440 Y CB -0.457 38.021 38.460 0.029 0.000 0.976 440 Y HN 0.090 nan 8.280 nan 0.000 0.505 441 A N -0.344 122.520 122.820 0.073 0.000 2.225 441 A HA -0.174 4.143 4.320 -0.005 0.000 0.215 441 A C 1.779 179.320 177.584 -0.072 0.000 1.164 441 A CA 1.509 53.539 52.037 -0.011 0.000 0.710 441 A CB -0.569 18.462 19.000 0.052 0.000 0.780 441 A HN 0.719 nan 8.150 nan 0.000 0.473 442 Q N -0.758 118.998 119.800 -0.073 0.000 2.247 442 Q HA 0.327 4.664 4.340 -0.005 0.000 0.204 442 Q C -0.610 175.326 176.000 -0.107 0.000 0.872 442 Q CA -0.046 55.715 55.803 -0.069 0.000 0.951 442 Q CB 0.452 29.172 28.738 -0.029 0.000 1.099 442 Q HN 0.658 nan 8.270 nan 0.000 0.501 443 I N 0.938 121.397 120.570 -0.185 0.000 2.354 443 I HA 0.099 4.266 4.170 -0.005 0.000 0.292 443 I C 1.015 176.986 176.117 -0.244 0.000 0.989 443 I CA -0.478 60.704 61.300 -0.197 0.000 1.188 443 I CB 1.558 39.420 38.000 -0.230 0.000 1.342 443 I HN -0.036 nan 8.210 nan 0.000 0.457 444 E N 3.680 123.745 120.200 -0.224 0.000 2.046 444 E HA -0.085 4.261 4.350 -0.005 0.000 0.190 444 E C 0.334 176.609 176.600 -0.541 0.000 0.982 444 E CA 1.465 57.639 56.400 -0.376 0.000 0.800 444 E CB 0.131 29.592 29.700 -0.397 0.000 0.756 444 E HN 0.495 nan 8.360 nan 0.000 0.449 445 H N -0.492 118.523 119.070 -0.091 0.000 2.340 445 H HA 0.217 4.770 4.556 -0.005 0.000 0.233 445 H C -1.810 173.447 175.328 -0.118 0.000 1.435 445 H CA -1.873 54.123 56.048 -0.086 0.000 1.389 445 H CB 1.103 30.830 29.762 -0.058 0.000 1.491 445 H HN -0.014 nan 8.280 nan 0.000 0.518 446 P HA -0.219 nan 4.420 nan 0.000 0.216 446 P C 1.740 178.891 177.300 -0.248 0.000 1.157 446 P CA 1.341 64.353 63.100 -0.146 0.000 0.880 446 P CB 0.687 32.323 31.700 -0.106 0.000 0.791 447 E N -0.362 119.676 120.200 -0.270 0.000 2.058 447 E HA -0.220 4.127 4.350 -0.005 0.000 0.194 447 E C 1.826 178.335 176.600 -0.151 0.000 0.997 447 E CA 1.509 57.719 56.400 -0.316 0.000 0.801 447 E CB -0.556 29.073 29.700 -0.118 0.000 0.746 447 E HN 0.149 nan 8.360 nan 0.000 0.450 448 E N -0.603 119.559 120.200 -0.064 0.000 2.072 448 E HA -0.090 4.257 4.350 -0.005 0.000 0.191 448 E C 2.130 178.714 176.600 -0.027 0.000 0.985 448 E CA 0.984 57.360 56.400 -0.039 0.000 0.801 448 E CB -0.310 29.367 29.700 -0.038 0.000 0.750 448 E HN 0.130 nan 8.360 nan 0.000 0.452 449 V N 1.027 120.928 119.914 -0.020 0.000 2.407 449 V HA -0.247 3.870 4.120 -0.005 0.000 0.248 449 V C 2.207 178.297 176.094 -0.007 0.000 1.055 449 V CA 1.739 64.036 62.300 -0.004 0.000 1.049 449 V CB -0.861 30.963 31.823 0.001 0.000 0.662 449 V HN 0.329 nan 8.190 nan 0.000 0.455 450 A N -0.035 122.759 122.820 -0.043 0.000 1.933 450 A HA -0.298 4.019 4.320 -0.005 0.000 0.218 450 A C 2.038 179.627 177.584 0.008 0.000 1.175 450 A CA 2.191 54.216 52.037 -0.020 0.000 0.628 450 A CB -0.619 18.331 19.000 -0.085 0.000 0.814 450 A HN 0.584 nan 8.150 nan 0.000 0.444 451 D N -0.315 120.081 120.400 -0.005 0.000 2.149 451 D HA -0.062 4.575 4.640 -0.005 0.000 0.201 451 D C 1.837 178.154 176.300 0.027 0.000 0.972 451 D CA 0.917 54.928 54.000 0.018 0.000 0.835 451 D CB -0.152 40.651 40.800 0.006 0.000 0.966 451 D HN 0.430 nan 8.370 nan 0.000 0.476 452 L N -0.437 120.796 121.223 0.017 0.000 2.093 452 L HA -0.093 4.244 4.340 -0.005 0.000 0.208 452 L C 2.421 179.309 176.870 0.031 0.000 1.085 452 L CA 0.481 55.333 54.840 0.018 0.000 0.755 452 L CB -0.297 41.767 42.059 0.008 0.000 0.904 452 L HN 0.028 nan 8.230 nan 0.000 0.435 453 V N 0.129 120.067 119.914 0.039 0.000 2.453 453 V HA -0.120 3.996 4.120 -0.005 0.000 0.247 453 V C 2.617 178.755 176.094 0.073 0.000 1.048 453 V CA 1.813 64.147 62.300 0.057 0.000 1.049 453 V CB -0.974 30.884 31.823 0.059 0.000 0.672 453 V HN 0.531 nan 8.190 nan 0.000 0.457 454 G N 0.070 108.914 108.800 0.073 0.000 2.418 454 G HA2 -0.206 3.751 3.960 -0.005 0.000 0.217 454 G HA3 -0.206 3.751 3.960 -0.005 0.000 0.217 454 G C 1.572 176.531 174.900 0.099 0.000 1.158 454 G CA 0.941 46.099 45.100 0.097 0.000 0.771 454 G HN 0.482 nan 8.290 nan 0.000 0.545 455 I N 1.883 122.500 120.570 0.079 0.000 2.286 455 I HA -0.198 3.969 4.170 -0.005 0.000 0.248 455 I C 3.137 179.294 176.117 0.067 0.000 1.115 455 I CA 1.443 62.787 61.300 0.075 0.000 1.392 455 I CB -0.183 37.851 38.000 0.057 0.000 1.065 455 I HN 0.340 nan 8.210 nan 0.000 0.418 456 S N 1.224 116.959 115.700 0.059 0.000 2.402 456 S HA -0.106 4.361 4.470 -0.005 0.000 0.229 456 S C 2.188 176.832 174.600 0.075 0.000 1.021 456 S CA 0.811 59.042 58.200 0.052 0.000 0.974 456 S CB -0.420 62.806 63.200 0.043 0.000 0.800 456 S HN 0.399 nan 8.310 nan 0.000 0.484 457 A N 1.418 124.295 122.820 0.095 0.000 1.897 457 A HA 0.149 4.466 4.320 -0.005 0.000 0.215 457 A C 2.393 180.027 177.584 0.085 0.000 1.181 457 A CA 1.426 53.528 52.037 0.108 0.000 0.620 457 A CB -0.983 18.097 19.000 0.132 0.000 0.821 457 A HN 0.445 nan 8.150 nan 0.000 0.443 458 V N -0.158 119.811 119.914 0.092 0.000 2.358 458 V HA -0.277 3.840 4.120 -0.005 0.000 0.246 458 V C 2.613 178.747 176.094 0.066 0.000 1.047 458 V CA 2.197 64.552 62.300 0.090 0.000 1.035 458 V CB -0.672 31.223 31.823 0.120 0.000 0.658 458 V HN 0.558 nan 8.190 nan 0.000 0.452 459 M N -0.989 118.647 119.600 0.059 0.000 2.156 459 M HA -0.076 4.401 4.480 -0.005 0.000 0.264 459 M C 2.153 178.459 176.300 0.010 0.000 1.067 459 M CA 1.626 56.949 55.300 0.038 0.000 1.131 459 M CB -0.326 32.294 32.600 0.033 0.000 1.368 459 M HN 0.196 nan 8.290 nan 0.000 0.416 460 I N 0.970 121.555 120.570 0.025 0.000 2.226 460 I HA -0.259 3.908 4.170 -0.005 0.000 0.245 460 I C 2.491 178.607 176.117 -0.002 0.000 1.100 460 I CA 1.687 63.009 61.300 0.036 0.000 1.374 460 I CB -1.382 36.684 38.000 0.109 0.000 1.057 460 I HN 0.422 nan 8.210 nan 0.000 0.413 461 Q N 0.396 120.175 119.800 -0.034 0.000 2.226 461 Q HA -0.211 4.126 4.340 -0.005 0.000 0.204 461 Q C 1.697 177.541 176.000 -0.260 0.000 0.975 461 Q CA 1.969 57.691 55.803 -0.134 0.000 0.866 461 Q CB -0.709 27.946 28.738 -0.138 0.000 0.915 461 Q HN 0.489 nan 8.270 nan 0.000 0.440 462 D N 0.064 120.357 120.400 -0.179 0.000 2.213 462 D HA -0.026 4.610 4.640 -0.005 0.000 0.205 462 D C 1.521 177.769 176.300 -0.086 0.000 0.961 462 D CA 0.939 54.841 54.000 -0.163 0.000 0.853 462 D CB 0.128 40.953 40.800 0.042 0.000 0.967 462 D HN 0.419 nan 8.370 nan 0.000 0.496 463 M N 0.121 119.676 119.600 -0.074 0.000 2.495 463 M HA 0.093 4.570 4.480 -0.005 0.000 0.237 463 M C 1.926 178.186 176.300 -0.067 0.000 1.131 463 M CA 0.076 55.327 55.300 -0.082 0.000 1.032 463 M CB 0.420 32.944 32.600 -0.125 0.000 1.513 463 M HN -0.117 nan 8.290 nan 0.000 0.488 464 Q N 0.671 120.436 119.800 -0.059 0.000 2.167 464 Q HA -0.002 4.334 4.340 -0.005 0.000 0.202 464 Q C 1.109 177.085 176.000 -0.040 0.000 0.970 464 Q CA 0.920 56.700 55.803 -0.037 0.000 0.855 464 Q CB 0.056 28.751 28.738 -0.071 0.000 0.911 464 Q HN 0.562 nan 8.270 nan 0.000 0.438 465 G N 0.118 108.892 108.800 -0.044 0.000 2.552 465 G HA2 0.351 4.308 3.960 -0.005 0.000 0.324 465 G HA3 0.351 4.308 3.960 -0.005 0.000 0.324 465 G C -0.953 173.954 174.900 0.012 0.000 1.217 465 G CA -0.715 44.377 45.100 -0.014 0.000 0.989 465 G HN -0.057 nan 8.290 nan 0.000 0.490 466 K N -0.188 120.230 120.400 0.031 0.000 2.414 466 K HA 0.058 4.374 4.320 -0.005 0.000 0.272 466 K C 1.585 178.233 176.600 0.079 0.000 0.993 466 K CA -0.095 56.221 56.287 0.049 0.000 0.964 466 K CB 1.150 33.681 32.500 0.052 0.000 0.925 466 K HN 0.428 nan 8.250 nan 0.000 0.487 467 R N 1.070 121.628 120.500 0.097 0.000 2.113 467 R HA -0.224 4.113 4.340 -0.005 0.000 0.244 467 R C 2.130 178.537 176.300 0.178 0.000 1.142 467 R CA 1.546 57.738 56.100 0.154 0.000 0.953 467 R CB -0.453 29.953 30.300 0.178 0.000 0.860 467 R HN 0.552 nan 8.270 nan 0.000 0.438 468 I N 1.622 122.263 120.570 0.119 0.000 2.530 468 I HA -0.193 3.974 4.170 -0.005 0.000 0.257 468 I C -0.134 176.037 176.117 0.091 0.000 1.179 468 I CA 0.948 62.299 61.300 0.085 0.000 1.440 468 I CB -0.359 37.669 38.000 0.046 0.000 1.087 468 I HN 0.103 nan 8.210 nan 0.000 0.440 469 N N 2.277 121.043 118.700 0.109 0.000 2.492 469 N HA 0.024 4.761 4.740 -0.005 0.000 0.260 469 N C -0.247 175.354 175.510 0.151 0.000 1.215 469 N CA 0.141 53.259 53.050 0.113 0.000 0.923 469 N CB 0.074 38.627 38.487 0.111 0.000 1.092 469 N HN 0.260 nan 8.380 nan 0.000 0.448 470 N N 1.031 119.798 118.700 0.110 0.000 2.493 470 N HA 0.309 5.046 4.740 -0.005 0.000 0.275 470 N C -0.663 174.946 175.510 0.165 0.000 1.186 470 N CA -0.122 52.975 53.050 0.078 0.000 0.978 470 N CB 0.930 39.434 38.487 0.027 0.000 1.184 470 N HN 0.527 nan 8.380 nan 0.000 0.487 471 Y N -2.376 117.947 120.300 0.038 0.000 2.482 471 Y HA 0.410 4.956 4.550 -0.005 0.000 0.334 471 Y C -0.605 175.312 175.900 0.029 0.000 1.091 471 Y CA -1.137 56.976 58.100 0.023 0.000 1.027 471 Y CB 0.653 39.122 38.460 0.015 0.000 1.306 471 Y HN 0.425 nan 8.280 nan 0.000 0.446 472 E N 3.630 123.947 120.200 0.195 0.000 2.313 472 E HA 0.253 4.600 4.350 -0.005 0.000 0.276 472 E C -1.155 175.558 176.600 0.189 0.000 1.031 472 E CA -0.822 55.651 56.400 0.121 0.000 0.857 472 E CB 0.681 30.428 29.700 0.079 0.000 1.040 472 E HN 0.638 nan 8.360 nan 0.000 0.408 473 F N 4.111 124.066 119.950 0.008 0.000 2.538 473 F HA 0.181 4.704 4.527 -0.006 0.000 0.371 473 F C -0.477 175.301 175.800 -0.037 0.000 1.087 473 F CA 0.448 58.437 58.000 -0.018 0.000 1.250 473 F CB 0.331 39.253 39.000 -0.130 0.000 1.110 473 F HN 0.268 nan 8.300 nan 0.000 0.570 474 K N 6.013 125.842 120.400 -0.953 0.000 2.588 474 K HA 0.047 4.364 4.320 -0.005 0.000 0.250 474 K C -0.317 175.815 176.600 -0.780 0.000 0.972 474 K CA -0.635 55.270 56.287 -0.638 0.000 0.821 474 K CB 0.979 33.342 32.500 -0.229 0.000 1.249 474 K HN 0.803 nan 8.250 nan 0.000 0.442 475 W N 2.341 123.321 121.300 -0.532 0.000 2.331 475 W HA -0.234 4.423 4.660 -0.005 0.000 0.291 475 W C 1.950 178.378 176.519 -0.152 0.000 1.214 475 W CA 1.699 58.880 57.345 -0.273 0.000 1.228 475 W CB 0.212 29.650 29.460 -0.037 0.000 1.135 475 W HN 0.734 nan 8.180 nan 0.000 0.537 476 E N 0.365 120.613 120.200 0.080 0.000 2.204 476 E HA -0.195 4.151 4.350 -0.005 0.000 0.195 476 E C 1.910 178.506 176.600 -0.006 0.000 0.990 476 E CA 1.027 57.456 56.400 0.048 0.000 0.821 476 E CB -0.589 29.119 29.700 0.013 0.000 0.750 476 E HN 0.349 nan 8.360 nan 0.000 0.477 477 R N -0.081 120.366 120.500 -0.088 0.000 2.092 477 R HA -0.019 4.318 4.340 -0.005 0.000 0.231 477 R C 2.378 178.653 176.300 -0.040 0.000 1.119 477 R CA 1.783 57.821 56.100 -0.104 0.000 0.970 477 R CB -0.129 30.062 30.300 -0.182 0.000 0.864 477 R HN 0.306 nan 8.270 nan 0.000 0.440 478 M N 0.076 119.672 119.600 -0.007 0.000 2.287 478 M HA -0.003 4.474 4.480 -0.005 0.000 0.266 478 M C 2.063 178.466 176.300 0.172 0.000 1.079 478 M CA 1.377 56.735 55.300 0.097 0.000 1.146 478 M CB -0.458 32.237 32.600 0.160 0.000 1.374 478 M HN 0.125 nan 8.290 nan 0.000 0.435 479 L N -0.344 120.999 121.223 0.200 0.000 2.446 479 L HA 0.086 4.423 4.340 -0.005 0.000 0.219 479 L C 0.799 177.819 176.870 0.251 0.000 1.116 479 L CA -0.182 54.795 54.840 0.228 0.000 0.844 479 L CB -0.365 41.830 42.059 0.226 0.000 0.970 479 L HN 0.080 nan 8.230 nan 0.000 0.457 480 S N 0.624 116.413 115.700 0.147 0.000 2.560 480 S HA 0.095 4.561 4.470 -0.005 0.000 0.284 480 S C 0.490 175.192 174.600 0.169 0.000 1.327 480 S CA -0.211 58.026 58.200 0.062 0.000 1.055 480 S CB 0.477 63.656 63.200 -0.037 0.000 0.868 480 S HN 0.338 nan 8.310 nan 0.000 0.506 481 F N -0.978 118.993 119.950 0.035 0.000 2.831 481 F HA 0.510 5.033 4.527 -0.006 0.000 0.334 481 F C 0.166 176.000 175.800 0.057 0.000 1.071 481 F CA -0.754 57.275 58.000 0.050 0.000 1.172 481 F CB -0.117 38.903 39.000 0.032 0.000 1.054 481 F HN 0.367 nan 8.300 nan 0.000 0.572 482 E N 1.352 121.345 120.200 -0.345 0.000 2.242 482 E HA 0.552 4.898 4.350 -0.005 0.000 0.275 482 E C 0.578 177.128 176.600 -0.084 0.000 1.002 482 E CA -0.136 56.153 56.400 -0.185 0.000 0.841 482 E CB 1.307 30.805 29.700 -0.336 0.000 1.109 482 E HN 0.434 nan 8.360 nan 0.000 0.394 483 G N 2.537 111.334 108.800 -0.005 0.000 2.545 483 G HA2 -0.219 3.737 3.960 -0.005 0.000 0.216 483 G HA3 -0.219 3.737 3.960 -0.005 0.000 0.216 483 G C -0.996 173.778 174.900 -0.210 0.000 1.314 483 G CA -0.741 44.291 45.100 -0.113 0.000 0.906 483 G HN 0.578 nan 8.290 nan 0.000 0.563 484 D N 2.204 122.359 120.400 -0.409 0.000 2.498 484 D HA 0.494 5.130 4.640 -0.005 0.000 0.229 484 D C 1.008 177.067 176.300 -0.403 0.000 1.188 484 D CA 1.186 54.695 54.000 -0.818 0.000 1.028 484 D CB 0.062 40.116 40.800 -1.244 0.000 1.087 484 D HN 0.839 nan 8.370 nan 0.000 0.510 485 T N -3.415 111.212 114.554 0.122 0.000 2.838 485 T HA 0.565 4.912 4.350 -0.005 0.000 0.292 485 T C 1.467 176.413 174.700 0.411 0.000 1.113 485 T CA -0.649 61.597 62.100 0.242 0.000 1.008 485 T CB 1.579 70.543 68.868 0.161 0.000 1.259 485 T HN 0.054 nan 8.240 nan 0.000 0.520 486 G N 0.625 109.581 108.800 0.261 0.000 2.446 486 G HA2 -0.035 3.921 3.960 -0.005 0.000 0.217 486 G HA3 -0.035 3.921 3.960 -0.005 0.000 0.217 486 G C -0.927 174.094 174.900 0.200 0.000 1.168 486 G CA 0.850 46.064 45.100 0.190 0.000 0.771 486 G HN 0.645 nan 8.290 nan 0.000 0.551 487 P HA -0.167 nan 4.420 nan 0.000 0.217 487 P C 1.326 178.779 177.300 0.254 0.000 1.148 487 P CA 0.881 64.109 63.100 0.214 0.000 0.828 487 P CB -0.106 31.738 31.700 0.240 0.000 0.783 488 Y N 0.205 120.623 120.300 0.197 0.000 2.224 488 Y HA -0.168 4.378 4.550 -0.005 0.000 0.289 488 Y C 1.949 177.952 175.900 0.171 0.000 1.146 488 Y CA 1.461 59.693 58.100 0.220 0.000 1.182 488 Y CB -0.905 37.733 38.460 0.296 0.000 0.983 488 Y HN -0.178 nan 8.280 nan 0.000 0.524 489 L N -0.329 121.061 121.223 0.278 0.000 2.093 489 L HA -0.206 4.131 4.340 -0.005 0.000 0.208 489 L C 2.511 179.408 176.870 0.045 0.000 1.085 489 L CA 1.002 55.880 54.840 0.064 0.000 0.755 489 L CB -0.594 41.412 42.059 -0.089 0.000 0.904 489 L HN 0.242 nan 8.230 nan 0.000 0.435 490 Q N -0.753 119.097 119.800 0.083 0.000 2.079 490 Q HA -0.225 4.112 4.340 -0.005 0.000 0.200 490 Q C 2.095 178.162 176.000 0.112 0.000 0.974 490 Q CA 1.636 57.492 55.803 0.088 0.000 0.840 490 Q CB -0.406 28.387 28.738 0.091 0.000 0.898 490 Q HN 0.475 nan 8.270 nan 0.000 0.430 491 Y N 1.209 121.481 120.300 -0.047 0.000 2.200 491 Y HA -0.170 4.376 4.550 -0.006 0.000 0.290 491 Y C 2.237 178.026 175.900 -0.185 0.000 1.137 491 Y CA 1.276 59.308 58.100 -0.112 0.000 1.163 491 Y CB -0.372 37.997 38.460 -0.150 0.000 0.988 491 Y HN 0.098 nan 8.280 nan 0.000 0.518 492 A N -0.438 122.264 122.820 -0.197 0.000 1.877 492 A HA -0.265 4.052 4.320 -0.005 0.000 0.216 492 A C 2.332 179.787 177.584 -0.215 0.000 1.186 492 A CA 1.920 53.784 52.037 -0.289 0.000 0.620 492 A CB -1.352 17.524 19.000 -0.207 0.000 0.822 492 A HN 0.705 nan 8.150 nan 0.000 0.443 493 H N 0.180 119.156 119.070 -0.157 0.000 2.353 493 H HA -0.075 4.478 4.556 -0.005 0.000 0.300 493 H C 2.211 177.463 175.328 -0.126 0.000 1.090 493 H CA 1.875 57.866 56.048 -0.096 0.000 1.327 493 H CB -0.029 29.719 29.762 -0.023 0.000 1.383 493 H HN 0.442 nan 8.280 nan 0.000 0.508 494 S N 0.800 116.461 115.700 -0.064 0.000 2.356 494 S HA -0.171 4.296 4.470 -0.005 0.000 0.223 494 S C 2.166 176.600 174.600 -0.278 0.000 1.032 494 S CA 1.579 59.704 58.200 -0.125 0.000 1.005 494 S CB -0.151 62.996 63.200 -0.087 0.000 0.867 494 S HN 0.641 nan 8.310 nan 0.000 0.449 495 R N 1.116 121.341 120.500 -0.459 0.000 2.189 495 R HA 0.151 4.487 4.340 -0.005 0.000 0.218 495 R C 1.890 177.989 176.300 -0.334 0.000 1.074 495 R CA 0.757 56.580 56.100 -0.462 0.000 0.991 495 R CB -0.544 29.298 30.300 -0.764 0.000 0.883 495 R HN 0.313 nan 8.270 nan 0.000 0.457 496 L N 0.391 121.411 121.223 -0.338 0.000 2.109 496 L HA 0.008 4.345 4.340 -0.005 0.000 0.207 496 L C 2.624 179.349 176.870 -0.242 0.000 1.086 496 L CA 0.853 55.522 54.840 -0.284 0.000 0.760 496 L CB -0.297 41.609 42.059 -0.254 0.000 0.910 496 L HN 0.130 nan 8.230 nan 0.000 0.437 497 R N -0.539 119.799 120.500 -0.271 0.000 2.081 497 R HA -0.119 4.218 4.340 -0.005 0.000 0.235 497 R C 2.502 178.732 176.300 -0.117 0.000 1.131 497 R CA 1.428 57.417 56.100 -0.184 0.000 0.960 497 R CB -0.919 29.276 30.300 -0.174 0.000 0.856 497 R HN 0.222 nan 8.270 nan 0.000 0.436 498 S N 0.362 115.981 115.700 -0.134 0.000 2.382 498 S HA -0.084 4.382 4.470 -0.005 0.000 0.228 498 S C 2.038 176.586 174.600 -0.087 0.000 1.027 498 S CA 1.157 59.300 58.200 -0.096 0.000 0.991 498 S CB -0.064 63.071 63.200 -0.108 0.000 0.823 498 S HN 0.076 nan 8.310 nan 0.000 0.469 499 V N 1.592 121.428 119.914 -0.130 0.000 2.358 499 V HA -0.135 3.982 4.120 -0.005 0.000 0.246 499 V C 2.406 178.443 176.094 -0.096 0.000 1.047 499 V CA 1.982 64.190 62.300 -0.153 0.000 1.035 499 V CB -0.670 30.981 31.823 -0.287 0.000 0.658 499 V HN 0.530 nan 8.190 nan 0.000 0.452 500 E N -0.182 119.979 120.200 -0.065 0.000 2.051 500 E HA -0.223 4.123 4.350 -0.005 0.000 0.192 500 E C 2.499 179.137 176.600 0.064 0.000 0.991 500 E CA 1.263 57.689 56.400 0.044 0.000 0.799 500 E CB -0.193 29.575 29.700 0.114 0.000 0.748 500 E HN 0.516 nan 8.360 nan 0.000 0.449 501 R N 0.611 121.124 120.500 0.021 0.000 2.091 501 R HA -0.142 4.195 4.340 -0.005 0.000 0.238 501 R C 2.177 178.489 176.300 0.019 0.000 1.136 501 R CA 1.418 57.529 56.100 0.019 0.000 0.959 501 R CB -0.392 29.907 30.300 -0.002 0.000 0.856 501 R HN 0.099 nan 8.270 nan 0.000 0.437 502 N N 0.413 119.117 118.700 0.006 0.000 2.364 502 N HA -0.117 4.620 4.740 -0.005 0.000 0.183 502 N C 0.408 175.933 175.510 0.025 0.000 1.022 502 N CA 1.242 54.299 53.050 0.011 0.000 0.883 502 N CB 0.183 38.671 38.487 0.001 0.000 0.965 502 N HN 0.211 nan 8.380 nan 0.000 0.438 503 A N -0.796 122.047 122.820 0.037 0.000 2.749 503 A HA 0.263 4.580 4.320 -0.005 0.000 0.299 503 A C 1.305 178.947 177.584 0.097 0.000 1.105 503 A CA -0.078 51.994 52.037 0.059 0.000 0.987 503 A CB -0.501 18.529 19.000 0.050 0.000 1.180 503 A HN 0.287 nan 8.150 nan 0.000 0.528 504 S N -1.156 114.589 115.700 0.076 0.000 2.493 504 S HA -0.093 4.374 4.470 -0.005 0.000 0.243 504 S C 1.691 176.329 174.600 0.063 0.000 0.991 504 S CA 1.231 59.476 58.200 0.074 0.000 0.957 504 S CB -0.491 62.732 63.200 0.038 0.000 0.756 504 S HN 0.765 nan 8.310 nan 0.000 0.521 505 G N 0.871 109.707 108.800 0.061 0.000 2.559 505 G HA2 0.195 4.152 3.960 -0.005 0.000 0.216 505 G HA3 0.195 4.152 3.960 -0.005 0.000 0.216 505 G C 0.488 175.428 174.900 0.066 0.000 1.126 505 G CA 0.094 45.223 45.100 0.048 0.000 0.778 505 G HN 0.609 nan 8.290 nan 0.000 0.543 506 I N 2.458 123.101 120.570 0.122 0.000 2.464 506 I HA 0.169 4.336 4.170 -0.005 0.000 0.277 506 I C 0.460 176.717 176.117 0.232 0.000 1.040 506 I CA -0.687 60.724 61.300 0.185 0.000 1.153 506 I CB 1.211 39.358 38.000 0.245 0.000 1.274 506 I HN -0.018 nan 8.210 nan 0.000 0.469 507 T N 1.077 115.638 114.554 0.013 0.000 2.856 507 T HA 0.074 4.421 4.350 -0.005 0.000 0.306 507 T C 0.990 175.261 174.700 -0.715 0.000 1.062 507 T CA -0.326 61.636 62.100 -0.231 0.000 1.083 507 T CB 0.978 69.729 68.868 -0.195 0.000 0.984 507 T HN 0.564 nan 8.240 nan 0.000 0.542 508 Q N 0.497 119.590 119.800 -1.179 0.000 2.297 508 Q HA -0.161 4.175 4.340 -0.005 0.000 0.208 508 Q C 2.099 177.632 176.000 -0.778 0.000 0.981 508 Q CA 1.666 56.402 55.803 -1.778 0.000 0.876 508 Q CB -0.241 27.769 28.738 -1.213 0.000 0.921 508 Q HN 0.820 nan 8.270 nan 0.000 0.446 509 E N 1.113 121.048 120.200 -0.443 0.000 2.106 509 E HA -0.150 4.197 4.350 -0.005 0.000 0.192 509 E C 1.654 178.193 176.600 -0.102 0.000 0.984 509 E CA 0.951 57.229 56.400 -0.203 0.000 0.806 509 E CB 0.062 29.674 29.700 -0.146 0.000 0.750 509 E HN 0.258 nan 8.360 nan 0.000 0.458 510 K N -0.194 120.156 120.400 -0.083 0.000 2.217 510 K HA -0.090 4.227 4.320 -0.005 0.000 0.202 510 K C 1.681 178.396 176.600 0.191 0.000 1.051 510 K CA 0.796 57.117 56.287 0.056 0.000 0.952 510 K CB -0.024 32.535 32.500 0.098 0.000 0.736 510 K HN 0.167 nan 8.250 nan 0.000 0.453 511 W N 1.415 122.701 121.300 -0.023 0.000 2.335 511 W HA -0.093 4.563 4.660 -0.006 0.000 0.311 511 W C 1.802 178.339 176.519 0.030 0.000 1.213 511 W CA 0.423 57.765 57.345 -0.004 0.000 1.274 511 W CB -1.067 28.410 29.460 0.028 0.000 1.148 511 W HN -0.026 nan 8.180 nan 0.000 0.498 512 I N 0.696 121.436 120.570 0.283 0.000 2.423 512 I HA -0.279 3.888 4.170 -0.005 0.000 0.254 512 I C 1.195 177.418 176.117 0.175 0.000 1.151 512 I CA 1.304 62.752 61.300 0.247 0.000 1.421 512 I CB -0.570 37.509 38.000 0.131 0.000 1.079 512 I HN -0.005 nan 8.210 nan 0.000 0.431 513 N N 1.089 119.816 118.700 0.045 0.000 2.238 513 N HA 0.255 4.992 4.740 -0.005 0.000 0.222 513 N C 0.350 175.732 175.510 -0.212 0.000 1.133 513 N CA 0.023 53.043 53.050 -0.049 0.000 0.854 513 N CB 0.473 38.947 38.487 -0.021 0.000 1.041 513 N HN 0.151 nan 8.380 nan 0.000 0.510 514 A N 0.640 123.217 122.820 -0.405 0.000 2.366 514 A HA 0.041 4.357 4.320 -0.005 0.000 0.250 514 A C 0.322 177.442 177.584 -0.775 0.000 1.099 514 A CA -0.058 51.649 52.037 -0.551 0.000 0.794 514 A CB 0.234 18.898 19.000 -0.559 0.000 1.056 514 A HN 0.106 nan 8.150 nan 0.000 0.499 515 D N 0.525 120.644 120.400 -0.468 0.000 2.453 515 D HA 0.288 4.924 4.640 -0.005 0.000 0.223 515 D C 0.027 176.160 176.300 -0.278 0.000 1.183 515 D CA -0.299 53.516 54.000 -0.309 0.000 0.933 515 D CB -0.561 40.152 40.800 -0.145 0.000 1.038 515 D HN 0.288 nan 8.370 nan 0.000 0.513 516 F N 1.183 121.122 119.950 -0.018 0.000 2.583 516 F HA -0.096 4.428 4.527 -0.005 0.000 0.297 516 F C 2.559 178.348 175.800 -0.018 0.000 1.131 516 F CA 0.546 58.530 58.000 -0.027 0.000 1.467 516 F CB -0.649 38.330 39.000 -0.036 0.000 1.097 516 F HN 0.346 nan 8.300 nan 0.000 0.586 517 S N -0.507 115.258 115.700 0.109 0.000 2.607 517 S HA -0.007 4.460 4.470 -0.005 0.000 0.224 517 S C 1.289 175.919 174.600 0.049 0.000 0.969 517 S CA 0.392 58.638 58.200 0.077 0.000 0.927 517 S CB -0.719 62.511 63.200 0.050 0.000 0.772 517 S HN 0.468 nan 8.310 nan 0.000 0.533 518 L N 0.838 122.081 121.223 0.035 0.000 2.685 518 L HA 0.409 4.745 4.340 -0.005 0.000 0.233 518 L C 0.142 177.025 176.870 0.021 0.000 1.173 518 L CA 0.098 54.947 54.840 0.015 0.000 0.961 518 L CB -0.133 41.919 42.059 -0.012 0.000 1.217 518 L HN 0.315 nan 8.230 nan 0.000 0.478 519 L N -0.150 121.099 121.223 0.043 0.000 3.096 519 L HA 0.220 4.557 4.340 -0.005 0.000 0.272 519 L C 0.983 177.870 176.870 0.028 0.000 1.311 519 L CA -0.010 54.846 54.840 0.027 0.000 0.943 519 L CB 0.245 42.330 42.059 0.042 0.000 1.348 519 L HN 0.120 nan 8.230 nan 0.000 0.562 520 K N -0.240 120.177 120.400 0.029 0.000 2.367 520 K HA 0.109 4.426 4.320 -0.005 0.000 0.194 520 K C 0.102 176.718 176.600 0.027 0.000 1.027 520 K CA -0.073 56.234 56.287 0.032 0.000 1.075 520 K CB 0.448 32.968 32.500 0.034 0.000 0.845 520 K HN 0.300 nan 8.250 nan 0.000 0.529 521 E N 1.195 121.407 120.200 0.020 0.000 2.398 521 E HA -0.024 4.323 4.350 -0.005 0.000 0.263 521 E C -1.890 174.724 176.600 0.023 0.000 1.046 521 E CA -1.359 55.054 56.400 0.021 0.000 0.908 521 E CB 0.319 30.031 29.700 0.021 0.000 0.963 521 E HN -0.149 nan 8.360 nan 0.000 0.431 522 P HA -0.296 nan 4.420 nan 0.000 0.216 522 P C 0.807 178.127 177.300 0.033 0.000 1.154 522 P CA 2.021 65.141 63.100 0.032 0.000 0.865 522 P CB 0.153 31.871 31.700 0.030 0.000 0.789 523 A N -0.489 122.349 122.820 0.030 0.000 1.930 523 A HA -0.078 4.239 4.320 -0.005 0.000 0.217 523 A C 2.281 179.868 177.584 0.006 0.000 1.175 523 A CA 1.947 54.001 52.037 0.028 0.000 0.627 523 A CB -1.493 17.529 19.000 0.037 0.000 0.815 523 A HN 0.204 nan 8.150 nan 0.000 0.443 524 A N -0.000 122.813 122.820 -0.012 0.000 1.898 524 A HA -0.107 4.209 4.320 -0.005 0.000 0.216 524 A C 2.088 179.664 177.584 -0.014 0.000 1.181 524 A CA 1.625 53.635 52.037 -0.045 0.000 0.620 524 A CB -0.391 18.579 19.000 -0.050 0.000 0.819 524 A HN 0.523 nan 8.150 nan 0.000 0.442 525 K N -0.722 119.689 120.400 0.019 0.000 2.057 525 K HA -0.110 4.206 4.320 -0.005 0.000 0.207 525 K C 1.764 178.399 176.600 0.059 0.000 1.049 525 K CA 1.192 57.508 56.287 0.047 0.000 0.931 525 K CB -0.346 32.193 32.500 0.065 0.000 0.714 525 K HN 0.278 nan 8.250 nan 0.000 0.440 526 L N 0.927 122.182 121.223 0.053 0.000 2.017 526 L HA -0.150 4.187 4.340 -0.005 0.000 0.208 526 L C 2.214 179.116 176.870 0.053 0.000 1.073 526 L CA 1.305 56.181 54.840 0.061 0.000 0.745 526 L CB -0.877 41.216 42.059 0.057 0.000 0.894 526 L HN 0.157 nan 8.230 nan 0.000 0.432 527 L N -0.715 120.523 121.223 0.025 0.000 2.046 527 L HA -0.179 4.158 4.340 -0.005 0.000 0.208 527 L C 2.357 179.239 176.870 0.019 0.000 1.077 527 L CA 1.634 56.479 54.840 0.009 0.000 0.747 527 L CB -0.472 41.560 42.059 -0.045 0.000 0.896 527 L HN 0.197 nan 8.230 nan 0.000 0.432 528 I N -0.714 119.864 120.570 0.013 0.000 2.179 528 I HA -0.331 3.836 4.170 -0.005 0.000 0.242 528 I C 2.624 178.791 176.117 0.084 0.000 1.088 528 I CA 1.402 62.714 61.300 0.020 0.000 1.357 528 I CB -0.326 37.680 38.000 0.011 0.000 1.051 528 I HN 0.249 nan 8.210 nan 0.000 0.409 529 R N 0.076 120.645 120.500 0.115 0.000 2.091 529 R HA -0.183 4.154 4.340 -0.005 0.000 0.238 529 R C 2.216 178.623 176.300 0.179 0.000 1.136 529 R CA 1.144 57.344 56.100 0.166 0.000 0.959 529 R CB -0.445 29.937 30.300 0.136 0.000 0.856 529 R HN 0.196 nan 8.270 nan 0.000 0.437 530 L N 0.877 122.193 121.223 0.155 0.000 2.042 530 L HA -0.143 4.193 4.340 -0.005 0.000 0.210 530 L C 2.138 179.194 176.870 0.310 0.000 1.076 530 L CA 1.585 56.554 54.840 0.215 0.000 0.749 530 L CB -0.728 41.404 42.059 0.121 0.000 0.893 530 L HN 0.208 nan 8.230 nan 0.000 0.432 531 L N -1.202 120.149 121.223 0.214 0.000 2.079 531 L HA -0.158 4.179 4.340 -0.005 0.000 0.210 531 L C 2.301 179.362 176.870 0.319 0.000 1.081 531 L CA 1.305 56.283 54.840 0.230 0.000 0.752 531 L CB -1.126 40.975 42.059 0.069 0.000 0.896 531 L HN 0.413 nan 8.230 nan 0.000 0.433 532 G N -1.111 107.845 108.800 0.260 0.000 2.679 532 G HA2 -0.156 3.801 3.960 -0.005 0.000 0.212 532 G HA3 -0.156 3.801 3.960 -0.005 0.000 0.212 532 G C 1.421 176.465 174.900 0.240 0.000 1.137 532 G CA 0.012 45.277 45.100 0.276 0.000 0.787 532 G HN 0.429 nan 8.290 nan 0.000 0.534 533 Q N -1.149 118.780 119.800 0.215 0.000 2.398 533 Q HA 0.064 4.401 4.340 -0.005 0.000 0.204 533 Q C 1.820 177.726 176.000 -0.157 0.000 0.932 533 Q CA -0.134 55.704 55.803 0.058 0.000 0.916 533 Q CB -0.072 28.710 28.738 0.074 0.000 1.024 533 Q HN 0.512 nan 8.270 nan 0.000 0.504 534 Y N 2.247 122.396 120.300 -0.251 0.000 2.102 534 Y HA -0.201 4.346 4.550 -0.005 0.000 0.280 534 Y C -0.909 174.775 175.900 -0.359 0.000 1.178 534 Y CA 1.454 59.297 58.100 -0.428 0.000 1.146 534 Y CB -1.020 37.408 38.460 -0.053 0.000 0.968 534 Y HN 0.083 nan 8.280 nan 0.000 0.504 535 P HA -0.122 nan 4.420 nan 0.000 0.216 535 P C 1.273 178.393 177.300 -0.300 0.000 1.150 535 P CA 2.200 65.052 63.100 -0.412 0.000 0.837 535 P CB 0.053 31.574 31.700 -0.298 0.000 0.786 536 D N -1.223 119.053 120.400 -0.206 0.000 2.117 536 D HA -0.106 4.530 4.640 -0.005 0.000 0.197 536 D C 1.971 178.122 176.300 -0.247 0.000 0.987 536 D CA 0.864 54.790 54.000 -0.123 0.000 0.829 536 D CB -0.787 39.983 40.800 -0.051 0.000 0.961 536 D HN -0.096 nan 8.370 nan 0.000 0.460 537 V N 0.830 120.501 119.914 -0.405 0.000 2.287 537 V HA -0.227 3.890 4.120 -0.005 0.000 0.248 537 V C 2.599 178.490 176.094 -0.338 0.000 1.053 537 V CA 1.182 63.226 62.300 -0.427 0.000 1.027 537 V CB -0.447 31.029 31.823 -0.579 0.000 0.646 537 V HN 0.253 nan 8.190 nan 0.000 0.447 538 L N -0.504 120.446 121.223 -0.456 0.000 2.046 538 L HA -0.151 4.185 4.340 -0.005 0.000 0.208 538 L C 2.814 179.551 176.870 -0.221 0.000 1.077 538 L CA 1.486 56.111 54.840 -0.359 0.000 0.747 538 L CB -0.732 41.041 42.059 -0.476 0.000 0.896 538 L HN 0.262 nan 8.230 nan 0.000 0.432 539 R N 0.934 121.324 120.500 -0.184 0.000 2.081 539 R HA -0.198 4.139 4.340 -0.005 0.000 0.235 539 R C 1.873 178.152 176.300 -0.036 0.000 1.131 539 R CA 1.999 58.048 56.100 -0.085 0.000 0.960 539 R CB -0.702 29.590 30.300 -0.014 0.000 0.856 539 R HN 0.335 nan 8.270 nan 0.000 0.436 540 N N 0.334 119.020 118.700 -0.023 0.000 2.270 540 N HA -0.042 4.695 4.740 -0.005 0.000 0.181 540 N C 1.434 176.948 175.510 0.008 0.000 1.016 540 N CA 1.439 54.516 53.050 0.044 0.000 0.870 540 N CB -0.116 38.386 38.487 0.026 0.000 0.979 540 N HN 0.270 nan 8.380 nan 0.000 0.431 541 A N 0.232 123.038 122.820 -0.024 0.000 2.015 541 A HA -0.006 4.311 4.320 -0.005 0.000 0.219 541 A C 2.195 179.804 177.584 0.042 0.000 1.163 541 A CA 0.716 52.788 52.037 0.058 0.000 0.646 541 A CB -0.599 18.476 19.000 0.126 0.000 0.806 541 A HN 0.459 nan 8.150 nan 0.000 0.448 542 I N -1.255 119.266 120.570 -0.081 0.000 3.251 542 I HA -0.078 4.089 4.170 -0.005 0.000 0.277 542 I C 2.161 178.145 176.117 -0.222 0.000 1.268 542 I CA 1.124 62.326 61.300 -0.164 0.000 1.449 542 I CB -0.074 37.708 38.000 -0.363 0.000 1.083 542 I HN 0.373 nan 8.210 nan 0.000 0.464 543 K N 0.104 120.412 120.400 -0.153 0.000 2.128 543 K HA -0.110 4.206 4.320 -0.005 0.000 0.202 543 K C 1.975 178.452 176.600 -0.206 0.000 1.050 543 K CA 1.722 57.908 56.287 -0.168 0.000 0.966 543 K CB -0.049 32.431 32.500 -0.033 0.000 0.759 543 K HN 0.362 nan 8.250 nan 0.000 0.454 544 T N -2.759 111.754 114.554 -0.069 0.000 3.014 544 T HA -0.028 4.318 4.350 -0.005 0.000 0.263 544 T C 0.311 175.073 174.700 0.104 0.000 1.078 544 T CA 0.945 63.051 62.100 0.009 0.000 1.135 544 T CB -0.458 68.452 68.868 0.071 0.000 0.895 544 T HN 0.559 nan 8.240 nan 0.000 0.480 545 H N 0.990 120.132 119.070 0.119 0.000 2.899 545 H HA -0.088 4.464 4.556 -0.006 0.000 0.282 545 H C -0.885 174.585 175.328 0.237 0.000 1.198 545 H CA 0.380 56.533 56.048 0.175 0.000 1.140 545 H CB -1.093 28.748 29.762 0.133 0.000 1.317 545 H HN 0.479 nan 8.280 nan 0.000 0.375 546 E N 0.133 120.516 120.200 0.306 0.000 2.133 546 E HA 0.106 4.453 4.350 -0.005 0.000 0.274 546 E C -1.878 174.698 176.600 -0.040 0.000 0.930 546 E CA -1.922 54.566 56.400 0.145 0.000 0.770 546 E CB 1.657 31.407 29.700 0.084 0.000 1.104 546 E HN 0.151 nan 8.360 nan 0.000 0.403 547 P HA -0.130 nan 4.420 nan 0.000 0.218 547 P C 1.474 178.547 177.300 -0.379 0.000 1.149 547 P CA 1.236 63.795 63.100 -0.902 0.000 0.817 547 P CB 0.303 31.562 31.700 -0.734 0.000 0.785 548 T N -1.701 112.750 114.554 -0.172 0.000 2.849 548 T HA -0.145 4.202 4.350 -0.005 0.000 0.270 548 T C 1.622 176.309 174.700 -0.022 0.000 1.066 548 T CA 2.045 64.106 62.100 -0.065 0.000 1.130 548 T CB -1.039 67.815 68.868 -0.023 0.000 0.864 548 T HN 0.095 nan 8.240 nan 0.000 0.481 549 T N 0.987 115.530 114.554 -0.017 0.000 2.720 549 T HA -0.068 4.279 4.350 -0.005 0.000 0.268 549 T C 1.926 176.645 174.700 0.032 0.000 1.037 549 T CA 1.466 63.572 62.100 0.010 0.000 1.144 549 T CB -0.381 68.505 68.868 0.029 0.000 0.864 549 T HN 0.264 nan 8.240 nan 0.000 0.444 550 V N 0.758 120.689 119.914 0.028 0.000 2.446 550 V HA -0.061 4.056 4.120 -0.005 0.000 0.244 550 V C 2.633 178.790 176.094 0.105 0.000 1.039 550 V CA 0.876 63.240 62.300 0.106 0.000 1.045 550 V CB -0.468 31.435 31.823 0.132 0.000 0.681 550 V HN 0.285 nan 8.190 nan 0.000 0.459 551 V N 0.120 120.038 119.914 0.007 0.000 2.332 551 V HA -0.293 3.824 4.120 -0.005 0.000 0.248 551 V C 2.615 178.775 176.094 0.110 0.000 1.055 551 V CA 2.727 65.036 62.300 0.015 0.000 1.038 551 V CB -1.019 30.824 31.823 0.033 0.000 0.651 551 V HN 0.599 nan 8.190 nan 0.000 0.450 552 T N -0.878 113.751 114.554 0.126 0.000 2.720 552 T HA -0.261 4.086 4.350 -0.005 0.000 0.268 552 T C 1.740 176.516 174.700 0.125 0.000 1.037 552 T CA 2.256 64.441 62.100 0.141 0.000 1.144 552 T CB -0.383 68.534 68.868 0.081 0.000 0.864 552 T HN 0.633 nan 8.240 nan 0.000 0.444 553 Y N 1.362 121.669 120.300 0.013 0.000 2.200 553 Y HA -0.050 4.497 4.550 -0.005 0.000 0.290 553 Y C 1.930 177.824 175.900 -0.009 0.000 1.137 553 Y CA 0.764 58.869 58.100 0.009 0.000 1.163 553 Y CB -0.522 37.955 38.460 0.029 0.000 0.988 553 Y HN 0.019 nan 8.280 nan 0.000 0.518 554 L N -0.607 120.507 121.223 -0.181 0.000 2.127 554 L HA -0.201 4.135 4.340 -0.005 0.000 0.211 554 L C 2.064 178.652 176.870 -0.470 0.000 1.089 554 L CA 1.648 56.268 54.840 -0.367 0.000 0.757 554 L CB -1.349 40.524 42.059 -0.310 0.000 0.899 554 L HN 0.233 nan 8.230 nan 0.000 0.434 555 F N -0.422 119.367 119.950 -0.268 0.000 2.293 555 F HA -0.086 4.438 4.527 -0.006 0.000 0.297 555 F C 2.277 177.737 175.800 -0.567 0.000 1.089 555 F CA 0.858 58.579 58.000 -0.465 0.000 1.377 555 F CB -0.403 38.322 39.000 -0.458 0.000 1.051 555 F HN 0.020 nan 8.300 nan 0.000 0.511 556 K N -0.167 120.132 120.400 -0.169 0.000 2.057 556 K HA -0.167 4.149 4.320 -0.005 0.000 0.206 556 K C 1.978 178.495 176.600 -0.139 0.000 1.050 556 K CA 1.270 57.507 56.287 -0.084 0.000 0.935 556 K CB -0.584 31.881 32.500 -0.057 0.000 0.715 556 K HN 0.150 nan 8.250 nan 0.000 0.439 557 L N 1.495 122.507 121.223 -0.352 0.000 1.994 557 L HA -0.195 4.142 4.340 -0.005 0.000 0.208 557 L C 2.373 179.177 176.870 -0.109 0.000 1.071 557 L CA 2.333 56.990 54.840 -0.305 0.000 0.745 557 L CB -1.077 40.668 42.059 -0.525 0.000 0.892 557 L HN 0.323 nan 8.230 nan 0.000 0.431 558 T N -4.245 110.249 114.554 -0.099 0.000 2.867 558 T HA -0.188 4.159 4.350 -0.005 0.000 0.268 558 T C 1.892 176.740 174.700 0.247 0.000 1.057 558 T CA 1.251 63.389 62.100 0.063 0.000 1.136 558 T CB -0.775 68.171 68.868 0.129 0.000 0.874 558 T HN 0.423 nan 8.240 nan 0.000 0.466 559 H N 1.051 120.247 119.070 0.210 0.000 2.353 559 H HA 0.036 4.589 4.556 -0.005 0.000 0.300 559 H C 2.500 177.906 175.328 0.131 0.000 1.090 559 H CA 1.819 57.986 56.048 0.198 0.000 1.327 559 H CB -0.516 29.309 29.762 0.104 0.000 1.383 559 H HN 0.381 nan 8.280 nan 0.000 0.508 560 Q N 0.693 120.622 119.800 0.214 0.000 2.119 560 Q HA -0.053 4.283 4.340 -0.005 0.000 0.201 560 Q C 2.458 178.535 176.000 0.127 0.000 0.972 560 Q CA 0.940 56.823 55.803 0.133 0.000 0.847 560 Q CB -0.408 28.378 28.738 0.081 0.000 0.903 560 Q HN 0.200 nan 8.270 nan 0.000 0.433 561 V N -0.026 119.962 119.914 0.124 0.000 2.295 561 V HA -0.269 3.847 4.120 -0.005 0.000 0.246 561 V C 2.165 178.374 176.094 0.191 0.000 1.049 561 V CA 2.053 64.448 62.300 0.159 0.000 1.024 561 V CB -0.696 31.193 31.823 0.110 0.000 0.648 561 V HN 0.346 nan 8.190 nan 0.000 0.447 562 S N -0.207 115.583 115.700 0.150 0.000 2.382 562 S HA -0.176 4.291 4.470 -0.005 0.000 0.228 562 S C 2.201 176.907 174.600 0.177 0.000 1.027 562 S CA 1.592 59.868 58.200 0.127 0.000 0.991 562 S CB -0.264 63.029 63.200 0.155 0.000 0.823 562 S HN 0.605 nan 8.310 nan 0.000 0.469 563 S N 0.864 116.665 115.700 0.168 0.000 2.356 563 S HA -0.120 4.347 4.470 -0.005 0.000 0.223 563 S C 2.169 176.856 174.600 0.145 0.000 1.032 563 S CA 1.099 59.381 58.200 0.138 0.000 1.005 563 S CB -0.556 62.709 63.200 0.109 0.000 0.867 563 S HN 0.613 nan 8.310 nan 0.000 0.449 564 C N 0.416 119.812 119.300 0.159 0.000 2.429 564 C HA -0.085 4.371 4.460 -0.005 0.000 0.277 564 C C 2.320 177.440 174.990 0.216 0.000 1.262 564 C CA 0.465 59.581 59.018 0.164 0.000 1.733 564 C CB -1.421 26.399 27.740 0.134 0.000 2.010 564 C HN 0.690 nan 8.230 nan 0.000 0.483 565 Y N 1.599 121.950 120.300 0.085 0.000 2.241 565 Y HA -0.231 4.316 4.550 -0.005 0.000 0.286 565 Y C 2.255 178.029 175.900 -0.211 0.000 1.166 565 Y CA 2.194 60.214 58.100 -0.133 0.000 1.203 565 Y CB -0.364 37.980 38.460 -0.194 0.000 0.977 565 Y HN 0.372 nan 8.280 nan 0.000 0.529 566 D N -0.784 119.662 120.400 0.077 0.000 2.277 566 D HA -0.097 4.540 4.640 -0.005 0.000 0.208 566 D C 1.760 178.133 176.300 0.121 0.000 0.962 566 D CA 1.544 55.593 54.000 0.082 0.000 0.865 566 D CB 0.257 41.147 40.800 0.150 0.000 0.939 566 D HN 0.392 nan 8.370 nan 0.000 0.510 567 V N -2.003 117.974 119.914 0.104 0.000 3.539 567 V HA 0.320 4.436 4.120 -0.005 0.000 0.262 567 V C 0.734 176.944 176.094 0.194 0.000 1.381 567 V CA -0.208 62.194 62.300 0.170 0.000 1.060 567 V CB 0.309 32.204 31.823 0.120 0.000 0.842 567 V HN -0.092 nan 8.190 nan 0.000 0.445 568 L N 1.618 122.910 121.223 0.115 0.000 2.321 568 L HA 0.499 4.835 4.340 -0.005 0.000 0.272 568 L C -0.887 176.046 176.870 0.105 0.000 1.050 568 L CA -0.343 54.577 54.840 0.134 0.000 0.893 568 L CB 0.422 42.527 42.059 0.076 0.000 1.272 568 L HN 0.278 nan 8.230 nan 0.000 0.435 569 W N 2.239 123.532 121.300 -0.011 0.000 2.316 569 W HA 0.297 4.954 4.660 -0.005 0.000 0.321 569 W C 1.059 177.561 176.519 -0.029 0.000 1.203 569 W CA -0.269 57.034 57.345 -0.071 0.000 1.214 569 W CB 1.073 30.476 29.460 -0.094 0.000 1.169 569 W HN 0.130 nan 8.180 nan 0.000 0.561 570 V N 2.515 122.493 119.914 0.107 0.000 2.575 570 V HA 0.088 4.205 4.120 -0.005 0.000 0.242 570 V C 1.157 177.309 176.094 0.097 0.000 1.045 570 V CA 0.953 63.293 62.300 0.067 0.000 1.065 570 V CB -0.969 30.834 31.823 -0.033 0.000 0.717 570 V HN 0.578 nan 8.190 nan 0.000 0.467 571 A N -0.033 122.880 122.820 0.154 0.000 2.371 571 A HA 0.502 4.819 4.320 -0.005 0.000 0.257 571 A C 1.402 179.053 177.584 0.113 0.000 1.089 571 A CA 0.534 52.654 52.037 0.138 0.000 0.794 571 A CB -0.269 18.835 19.000 0.173 0.000 1.029 571 A HN 1.476 nan 8.150 nan 0.000 0.488 572 G N 0.352 109.178 108.800 0.044 0.000 2.176 572 G HA2 -0.160 3.797 3.960 -0.005 0.000 0.252 572 G HA3 -0.160 3.797 3.960 -0.005 0.000 0.252 572 G C 0.063 174.961 174.900 -0.004 0.000 1.024 572 G CA 0.594 45.692 45.100 -0.005 0.000 0.755 572 G HN 0.836 nan 8.290 nan 0.000 0.507 573 Q N -0.391 119.420 119.800 0.018 0.000 2.712 573 Q HA 0.678 5.015 4.340 -0.005 0.000 0.267 573 Q C 0.847 176.851 176.000 0.007 0.000 1.062 573 Q CA 0.070 55.882 55.803 0.014 0.000 0.888 573 Q CB 0.453 29.211 28.738 0.033 0.000 1.374 573 Q HN 0.612 nan 8.270 nan 0.000 0.498 574 T N -2.742 111.813 114.554 0.003 0.000 2.860 574 T HA 0.049 4.396 4.350 -0.005 0.000 0.299 574 T C 1.083 175.783 174.700 0.001 0.000 1.045 574 T CA -0.180 61.919 62.100 -0.001 0.000 1.071 574 T CB 0.817 69.682 68.868 -0.005 0.000 0.985 574 T HN 0.729 nan 8.240 nan 0.000 0.537 575 E N 0.758 120.959 120.200 0.000 0.000 2.118 575 E HA -0.275 4.072 4.350 -0.005 0.000 0.195 575 E C 1.951 178.548 176.600 -0.005 0.000 0.992 575 E CA 1.706 58.108 56.400 0.004 0.000 0.804 575 E CB -0.144 29.559 29.700 0.005 0.000 0.741 575 E HN 0.931 nan 8.360 nan 0.000 0.458 576 E N 0.319 120.510 120.200 -0.016 0.000 2.106 576 E HA -0.203 4.144 4.350 -0.005 0.000 0.192 576 E C 2.223 178.798 176.600 -0.042 0.000 0.984 576 E CA 0.970 57.350 56.400 -0.034 0.000 0.806 576 E CB -0.320 29.358 29.700 -0.036 0.000 0.750 576 E HN 0.325 nan 8.360 nan 0.000 0.458 577 L N 1.069 122.277 121.223 -0.025 0.000 2.109 577 L HA 0.129 4.465 4.340 -0.005 0.000 0.207 577 L C 2.368 179.225 176.870 -0.022 0.000 1.086 577 L CA 1.805 56.632 54.840 -0.021 0.000 0.760 577 L CB -0.522 41.534 42.059 -0.004 0.000 0.910 577 L HN 0.245 nan 8.230 nan 0.000 0.437 578 A N -1.642 121.170 122.820 -0.013 0.000 1.930 578 A HA -0.141 4.176 4.320 -0.005 0.000 0.217 578 A C 2.216 179.765 177.584 -0.058 0.000 1.175 578 A CA 2.018 54.047 52.037 -0.014 0.000 0.627 578 A CB -1.005 18.000 19.000 0.008 0.000 0.815 578 A HN 0.471 nan 8.150 nan 0.000 0.443 579 T N 0.194 114.718 114.554 -0.049 0.000 2.777 579 T HA 0.043 4.390 4.350 -0.005 0.000 0.266 579 T C 2.229 176.844 174.700 -0.142 0.000 1.040 579 T CA 1.390 63.452 62.100 -0.063 0.000 1.141 579 T CB -0.358 68.509 68.868 -0.002 0.000 0.868 579 T HN 0.564 nan 8.240 nan 0.000 0.444 580 A N 2.054 124.801 122.820 -0.123 0.000 1.898 580 A HA -0.084 4.233 4.320 -0.005 0.000 0.216 580 A C 2.397 179.921 177.584 -0.100 0.000 1.181 580 A CA 1.017 52.984 52.037 -0.116 0.000 0.620 580 A CB -0.339 18.605 19.000 -0.092 0.000 0.819 580 A HN 0.333 nan 8.150 nan 0.000 0.442 581 R N -0.653 119.780 120.500 -0.112 0.000 2.115 581 R HA 0.079 4.416 4.340 -0.005 0.000 0.226 581 R C 2.005 178.207 176.300 -0.163 0.000 1.100 581 R CA 0.877 56.896 56.100 -0.136 0.000 0.980 581 R CB -0.586 29.695 30.300 -0.032 0.000 0.875 581 R HN 0.491 nan 8.270 nan 0.000 0.445 582 L N 0.606 121.664 121.223 -0.275 0.000 2.083 582 L HA -0.139 4.198 4.340 -0.005 0.000 0.209 582 L C 2.631 178.977 176.870 -0.874 0.000 1.083 582 L CA 1.157 55.634 54.840 -0.605 0.000 0.752 582 L CB -0.472 41.061 42.059 -0.878 0.000 0.899 582 L HN 0.192 nan 8.230 nan 0.000 0.433 583 A N -0.325 122.144 122.820 -0.584 0.000 1.902 583 A HA -0.231 4.086 4.320 -0.005 0.000 0.217 583 A C 2.137 179.647 177.584 -0.123 0.000 1.181 583 A CA 1.616 53.520 52.037 -0.221 0.000 0.623 583 A CB -0.645 18.449 19.000 0.156 0.000 0.818 583 A HN 0.327 nan 8.150 nan 0.000 0.443 584 L N -1.561 119.571 121.223 -0.150 0.000 2.005 584 L HA -0.106 4.230 4.340 -0.005 0.000 0.207 584 L C 2.298 179.041 176.870 -0.211 0.000 1.072 584 L CA 1.952 56.676 54.840 -0.193 0.000 0.744 584 L CB -0.983 40.906 42.059 -0.283 0.000 0.895 584 L HN 0.445 nan 8.230 nan 0.000 0.433 585 Y N 0.024 120.212 120.300 -0.187 0.000 2.224 585 Y HA -0.048 4.499 4.550 -0.005 0.000 0.289 585 Y C 2.518 178.305 175.900 -0.187 0.000 1.146 585 Y CA 1.293 59.285 58.100 -0.180 0.000 1.182 585 Y CB -1.245 37.091 38.460 -0.207 0.000 0.983 585 Y HN 0.264 nan 8.280 nan 0.000 0.524 586 G N -0.690 108.037 108.800 -0.123 0.000 2.422 586 G HA2 -0.198 3.758 3.960 -0.005 0.000 0.218 586 G HA3 -0.198 3.758 3.960 -0.005 0.000 0.218 586 G C 1.914 176.844 174.900 0.050 0.000 1.146 586 G CA 0.941 46.015 45.100 -0.044 0.000 0.769 586 G HN 0.465 nan 8.290 nan 0.000 0.547 587 A N 1.155 123.975 122.820 0.001 0.000 1.898 587 A HA 0.343 4.659 4.320 -0.005 0.000 0.216 587 A C 2.810 180.368 177.584 -0.045 0.000 1.181 587 A CA 2.066 54.081 52.037 -0.037 0.000 0.620 587 A CB -0.758 18.186 19.000 -0.093 0.000 0.819 587 A HN 0.725 nan 8.150 nan 0.000 0.442 588 A N -0.268 122.534 122.820 -0.030 0.000 1.902 588 A HA -0.186 4.131 4.320 -0.005 0.000 0.217 588 A C 2.276 179.863 177.584 0.005 0.000 1.181 588 A CA 1.737 53.767 52.037 -0.011 0.000 0.623 588 A CB -0.524 18.482 19.000 0.010 0.000 0.818 588 A HN 0.534 nan 8.150 nan 0.000 0.443 589 R N -0.846 119.660 120.500 0.010 0.000 2.081 589 R HA -0.212 4.125 4.340 -0.005 0.000 0.235 589 R C 2.382 178.734 176.300 0.087 0.000 1.131 589 R CA 1.931 58.036 56.100 0.010 0.000 0.960 589 R CB -0.263 29.991 30.300 -0.075 0.000 0.856 589 R HN 0.553 nan 8.270 nan 0.000 0.436 590 Q N 0.287 120.123 119.800 0.060 0.000 2.096 590 Q HA -0.112 4.225 4.340 -0.005 0.000 0.204 590 Q C 1.927 177.991 176.000 0.106 0.000 0.982 590 Q CA 1.997 57.853 55.803 0.089 0.000 0.850 590 Q CB -0.178 28.582 28.738 0.036 0.000 0.901 590 Q HN 0.237 nan 8.270 nan 0.000 0.422 591 V N 0.432 120.350 119.914 0.005 0.000 2.358 591 V HA -0.210 3.907 4.120 -0.005 0.000 0.246 591 V C 2.223 178.230 176.094 -0.145 0.000 1.047 591 V CA 1.517 63.739 62.300 -0.129 0.000 1.035 591 V CB -0.762 31.003 31.823 -0.097 0.000 0.658 591 V HN 0.431 nan 8.190 nan 0.000 0.452 592 L N -0.284 120.928 121.223 -0.018 0.000 2.012 592 L HA -0.211 4.126 4.340 -0.005 0.000 0.210 592 L C 2.327 179.236 176.870 0.065 0.000 1.073 592 L CA 2.248 57.093 54.840 0.007 0.000 0.748 592 L CB -0.997 41.095 42.059 0.055 0.000 0.891 592 L HN 0.453 nan 8.230 nan 0.000 0.431 593 Y N 0.723 121.056 120.300 0.055 0.000 2.081 593 Y HA -0.338 4.209 4.550 -0.005 0.000 0.280 593 Y C 2.431 178.337 175.900 0.009 0.000 1.163 593 Y CA 2.293 60.419 58.100 0.043 0.000 1.135 593 Y CB -0.476 38.059 38.460 0.125 0.000 0.970 593 Y HN 0.378 nan 8.280 nan 0.000 0.498 594 N N 0.198 118.967 118.700 0.116 0.000 2.036 594 N HA -0.177 4.560 4.740 -0.005 0.000 0.195 594 N C 2.068 177.601 175.510 0.038 0.000 1.037 594 N CA 1.729 54.818 53.050 0.065 0.000 0.855 594 N CB -1.270 37.290 38.487 0.121 0.000 1.033 594 N HN 0.572 nan 8.380 nan 0.000 0.423 595 G N 0.656 109.464 108.800 0.014 0.000 2.418 595 G HA2 -0.202 3.755 3.960 -0.005 0.000 0.217 595 G HA3 -0.202 3.755 3.960 -0.005 0.000 0.217 595 G C 1.589 176.515 174.900 0.043 0.000 1.158 595 G CA 0.651 45.838 45.100 0.144 0.000 0.771 595 G HN 0.213 nan 8.290 nan 0.000 0.545 596 M N -0.118 119.443 119.600 -0.065 0.000 2.086 596 M HA -0.011 4.466 4.480 -0.005 0.000 0.261 596 M C 2.809 179.030 176.300 -0.131 0.000 1.067 596 M CA 1.111 56.343 55.300 -0.113 0.000 1.116 596 M CB -0.242 32.254 32.600 -0.173 0.000 1.348 596 M HN 0.073 nan 8.290 nan 0.000 0.407 597 R N 0.189 120.552 120.500 -0.229 0.000 2.096 597 R HA -0.118 4.219 4.340 -0.005 0.000 0.235 597 R C 2.161 178.422 176.300 -0.064 0.000 1.127 597 R CA 1.173 57.143 56.100 -0.218 0.000 0.968 597 R CB -0.912 29.166 30.300 -0.369 0.000 0.861 597 R HN 0.315 nan 8.270 nan 0.000 0.440 598 L N 1.170 122.400 121.223 0.011 0.000 2.046 598 L HA -0.120 4.217 4.340 -0.005 0.000 0.208 598 L C 2.087 179.071 176.870 0.191 0.000 1.077 598 L CA 1.547 56.444 54.840 0.096 0.000 0.747 598 L CB -0.329 41.836 42.059 0.177 0.000 0.896 598 L HN 0.090 nan 8.230 nan 0.000 0.432 599 L N -0.913 120.412 121.223 0.168 0.000 2.376 599 L HA 0.093 4.430 4.340 -0.005 0.000 0.219 599 L C 1.596 178.519 176.870 0.089 0.000 1.133 599 L CA 0.771 55.704 54.840 0.155 0.000 0.816 599 L CB -0.567 41.496 42.059 0.008 0.000 0.933 599 L HN 0.589 nan 8.230 nan 0.000 0.449 600 G N -0.589 108.235 108.800 0.040 0.000 2.168 600 G HA2 -0.187 3.769 3.960 -0.005 0.000 0.197 600 G HA3 -0.187 3.769 3.960 -0.005 0.000 0.197 600 G C 0.163 175.058 174.900 -0.007 0.000 0.997 600 G CA -0.430 44.681 45.100 0.018 0.000 0.658 600 G HN 0.135 nan 8.290 nan 0.000 0.513 601 L N 0.595 121.796 121.223 -0.036 0.000 2.454 601 L HA 0.673 5.010 4.340 -0.005 0.000 0.256 601 L C 0.382 177.198 176.870 -0.090 0.000 1.136 601 L CA -0.456 54.354 54.840 -0.051 0.000 0.804 601 L CB 1.181 43.203 42.059 -0.061 0.000 1.181 601 L HN 0.061 nan 8.230 nan 0.000 0.469 602 T N 1.176 115.684 114.554 -0.077 0.000 2.893 602 T HA 0.325 4.672 4.350 -0.005 0.000 0.324 602 T C -2.468 172.164 174.700 -0.113 0.000 1.082 602 T CA -1.215 60.832 62.100 -0.088 0.000 0.983 602 T CB 1.200 70.046 68.868 -0.036 0.000 1.005 602 T HN 0.266 nan 8.240 nan 0.000 0.475 603 P HA 0.149 nan 4.420 nan 0.000 0.267 603 P C -0.063 177.128 177.300 -0.183 0.000 1.205 603 P CA -0.412 62.485 63.100 -0.340 0.000 0.765 603 P CB 0.406 31.723 31.700 -0.639 0.000 0.828 604 V N 1.132 120.997 119.914 -0.083 0.000 2.716 604 V HA 0.348 4.464 4.120 -0.005 0.000 0.304 604 V C 0.969 177.172 176.094 0.182 0.000 1.053 604 V CA -0.203 62.126 62.300 0.049 0.000 0.984 604 V CB 1.741 33.594 31.823 0.050 0.000 1.021 604 V HN 0.374 nan 8.190 nan 0.000 0.467 605 E N 1.916 122.202 120.200 0.144 0.000 2.190 605 E HA 0.183 4.530 4.350 -0.005 0.000 0.191 605 E C 0.338 176.974 176.600 0.059 0.000 0.978 605 E CA 0.610 57.088 56.400 0.130 0.000 0.839 605 E CB 0.428 30.178 29.700 0.082 0.000 0.787 605 E HN 0.707 nan 8.360 nan 0.000 0.473 606 R N -0.066 120.463 120.500 0.048 0.000 2.698 606 R HA 0.573 4.910 4.340 -0.005 0.000 0.275 606 R C -0.092 176.233 176.300 0.042 0.000 1.001 606 R CA -0.342 55.772 56.100 0.025 0.000 0.896 606 R CB 2.260 32.562 30.300 0.003 0.000 1.218 606 R HN -0.025 nan 8.270 nan 0.000 0.462 607 M N 0.000 119.637 119.600 0.061 0.000 2.572 607 M HA 0.000 4.477 4.480 -0.005 0.000 0.227 607 M CA 0.000 55.353 55.300 0.089 0.000 0.988 607 M CB 0.000 32.666 32.600 0.110 0.000 1.302 607 M HN 0.000 nan 8.290 nan 0.000 0.411