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 3dt7_1_B DATA FIRST_RESID 4 DATA SEQUENCE QLHNGLDFSA KVIQGSLDSL PQEVRKFVEG NAQLCQPEYI HICDGSEEEY DATA SEQUENCE GRLLAHMQEE GVIRKLKKYD NCWLALTDPR DVARIESKTV IITQEQRDTV DATA SEQUENCE PIPKSGQSQL GRWMSEEDFE KAFNARFPGC MKGRTMYVIP FSMGPLGSPL DATA SEQUENCE AKIGIELTDS PYVVASMRIM TRMGTSVLEA LGDGEFIKCL HSVGCPLPLK DATA SEQUENCE KPLVNNWACN PELTLIAHLP DRREIISFGS GYGGNSLLGK KCFALRIASR DATA SEQUENCE LAKEEGWLAE HMLILGITNP EGKKKYLAAA FPSACGKTNL AMMNPTLPGW DATA SEQUENCE KVECVGDDIA WMKFDAQGNL RAINPENGFF GVAPGTSVKT NPNAIKTIQK DATA SEQUENCE NTIFTNVAET SDGGVYWEGI DEPLAPGVTI TSWKNKEWRP QDEEPCAHPN DATA SEQUENCE SRFCTPASQC PIIDPAWESP EGVPIEGIIF GGRRPAGVPL VYEALSWQHG DATA SEQUENCE VFVGAAMRSE AXXXXXXXXK VIMHDPFAMR PFFGYNFGKY LAHWLSMAHR DATA SEQUENCE PAAKLPKIFH VNWFRKDKNG KFLWPGFGEN SRVLEWMFGR IEGEDSAKLT DATA SEQUENCE PIGYVPKEDA LNLKGLGDVN VEELFGISKE FWEKEVEEID KYLEDQVNAD DATA SEQUENCE LPYEIERELR ALKQRISQM 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 4 Q HA 0.000 nan 4.340 nan 0.000 0.214 4 Q C 0.000 175.975 176.000 -0.041 0.000 1.003 4 Q CA 0.000 55.805 55.803 0.003 0.000 1.022 4 Q CB 0.000 28.748 28.738 0.017 0.000 1.108 5 L N 0.123 121.306 121.223 -0.067 0.000 2.590 5 L HA 0.317 4.649 4.340 -0.014 0.000 0.227 5 L C 0.072 176.604 176.870 -0.564 0.000 1.099 5 L CA 0.593 55.286 54.840 -0.244 0.000 0.872 5 L CB 0.206 42.143 42.059 -0.203 0.000 1.088 5 L HN 0.660 nan 8.230 nan 0.000 0.479 6 H N -2.112 116.958 119.070 -0.000 0.000 4.229 6 H HA 0.480 5.028 4.556 -0.014 0.000 0.422 6 H C -0.873 174.449 175.328 -0.011 0.000 1.416 6 H CA -0.848 55.196 56.048 -0.006 0.000 0.985 6 H CB 0.862 30.620 29.762 -0.008 0.000 1.019 6 H HN -0.258 nan 8.280 nan 0.000 0.780 7 N N -0.705 118.094 118.700 0.164 0.000 2.929 7 N HA 0.456 5.187 4.740 -0.014 0.000 0.245 7 N C -0.795 174.717 175.510 0.004 0.000 1.081 7 N CA 0.668 53.762 53.050 0.074 0.000 1.048 7 N CB 1.955 40.464 38.487 0.036 0.000 1.629 7 N HN 0.995 nan 8.380 nan 0.000 0.598 8 G N 0.543 109.336 108.800 -0.012 0.000 2.295 8 G HA2 -0.052 3.899 3.960 -0.014 0.000 0.155 8 G HA3 -0.052 3.899 3.960 -0.014 0.000 0.155 8 G C -0.976 173.950 174.900 0.044 0.000 1.307 8 G CA -0.535 44.592 45.100 0.046 0.000 1.140 8 G HN 0.359 nan 8.290 nan 0.000 0.470 9 L N 1.479 122.750 121.223 0.080 0.000 2.640 9 L HA 0.400 4.731 4.340 -0.014 0.000 0.230 9 L C 0.567 177.553 176.870 0.193 0.000 1.123 9 L CA 0.208 55.134 54.840 0.143 0.000 0.900 9 L CB 0.213 42.349 42.059 0.128 0.000 1.146 9 L HN 0.547 nan 8.230 nan 0.000 0.484 10 D N -1.150 119.316 120.400 0.109 0.000 2.316 10 D HA 0.022 4.653 4.640 -0.014 0.000 0.245 10 D C 0.519 176.873 176.300 0.090 0.000 1.171 10 D CA 0.093 54.162 54.000 0.115 0.000 0.856 10 D CB 0.436 41.269 40.800 0.054 0.000 1.090 10 D HN 0.048 nan 8.370 nan 0.000 0.476 11 F N 2.021 121.982 119.950 0.018 0.000 2.692 11 F HA 0.055 4.574 4.527 -0.014 0.000 0.303 11 F C 2.244 178.056 175.800 0.020 0.000 1.114 11 F CA -0.213 57.797 58.000 0.017 0.000 1.361 11 F CB 0.360 39.367 39.000 0.012 0.000 1.063 11 F HN 0.319 nan 8.300 nan 0.000 0.550 12 S N 0.438 116.209 115.700 0.118 0.000 2.387 12 S HA -0.294 4.167 4.470 -0.014 0.000 0.230 12 S C 2.428 177.062 174.600 0.056 0.000 1.035 12 S CA 1.313 59.560 58.200 0.078 0.000 1.014 12 S CB -0.387 62.842 63.200 0.047 0.000 0.836 12 S HN 0.475 nan 8.310 nan 0.000 0.466 13 A N 0.952 123.785 122.820 0.022 0.000 2.070 13 A HA -0.047 4.265 4.320 -0.014 0.000 0.220 13 A C 1.873 179.494 177.584 0.062 0.000 1.159 13 A CA 1.190 53.236 52.037 0.016 0.000 0.656 13 A CB -0.226 18.758 19.000 -0.026 0.000 0.800 13 A HN 0.448 nan 8.150 nan 0.000 0.453 14 K N -0.514 119.947 120.400 0.102 0.000 2.372 14 K HA 0.240 4.551 4.320 -0.014 0.000 0.200 14 K C -0.589 176.144 176.600 0.223 0.000 1.022 14 K CA -0.187 56.230 56.287 0.215 0.000 1.125 14 K CB 0.723 33.358 32.500 0.225 0.000 0.855 14 K HN 0.222 nan 8.250 nan 0.000 0.524 15 V N 3.215 123.202 119.914 0.121 0.000 2.427 15 V HA 0.068 4.179 4.120 -0.014 0.000 0.268 15 V C 1.081 177.164 176.094 -0.018 0.000 1.046 15 V CA 0.011 62.346 62.300 0.059 0.000 0.970 15 V CB 0.615 32.462 31.823 0.040 0.000 1.001 15 V HN 0.264 nan 8.190 nan 0.000 0.476 16 I N 1.621 122.147 120.570 -0.072 0.000 3.968 16 I HA 0.415 4.577 4.170 -0.014 0.000 0.328 16 I C 0.569 176.576 176.117 -0.184 0.000 1.290 16 I CA 0.323 61.525 61.300 -0.163 0.000 1.163 16 I CB 0.298 38.123 38.000 -0.291 0.000 1.024 16 I HN 0.623 nan 8.210 nan 0.000 0.413 17 Q N 1.389 121.050 119.800 -0.232 0.000 2.320 17 Q HA 0.533 4.865 4.340 -0.014 0.000 0.272 17 Q C -0.209 175.666 176.000 -0.209 0.000 1.023 17 Q CA 0.074 55.690 55.803 -0.312 0.000 0.855 17 Q CB 2.204 30.512 28.738 -0.716 0.000 1.367 17 Q HN 0.498 nan 8.270 nan 0.000 0.406 18 G N 1.627 110.347 108.800 -0.133 0.000 2.615 18 G HA2 -0.133 3.819 3.960 -0.014 0.000 0.218 18 G HA3 -0.133 3.819 3.960 -0.014 0.000 0.218 18 G C -0.975 173.900 174.900 -0.042 0.000 1.339 18 G CA -0.207 44.849 45.100 -0.073 0.000 0.884 18 G HN 0.950 nan 8.290 nan 0.000 0.559 19 S N -1.416 114.271 115.700 -0.021 0.000 2.572 19 S HA 0.589 5.051 4.470 -0.014 0.000 0.274 19 S C 1.193 175.797 174.600 0.007 0.000 1.150 19 S CA 0.091 58.288 58.200 -0.005 0.000 0.944 19 S CB 1.352 64.550 63.200 -0.004 0.000 1.071 19 S HN 1.011 nan 8.310 nan 0.000 0.479 20 L N 2.725 123.960 121.223 0.021 0.000 2.141 20 L HA -0.036 4.296 4.340 -0.014 0.000 0.209 20 L C 1.632 178.518 176.870 0.027 0.000 1.094 20 L CA 1.051 55.910 54.840 0.030 0.000 0.763 20 L CB -0.304 41.786 42.059 0.052 0.000 0.908 20 L HN 0.647 nan 8.230 nan 0.000 0.437 21 D N -0.383 120.031 120.400 0.023 0.000 2.218 21 D HA -0.155 4.476 4.640 -0.014 0.000 0.204 21 D C 2.286 178.594 176.300 0.014 0.000 0.976 21 D CA 1.689 55.701 54.000 0.020 0.000 0.853 21 D CB -0.043 40.767 40.800 0.016 0.000 0.939 21 D HN 0.390 nan 8.370 nan 0.000 0.481 22 S N -0.418 115.287 115.700 0.009 0.000 2.528 22 S HA 0.046 4.508 4.470 -0.014 0.000 0.219 22 S C 1.050 175.651 174.600 0.002 0.000 0.985 22 S CA -0.288 57.915 58.200 0.004 0.000 0.914 22 S CB -0.160 63.039 63.200 -0.001 0.000 0.776 22 S HN 0.087 nan 8.310 nan 0.000 0.526 23 L N 2.238 123.463 121.223 0.004 0.000 2.439 23 L HA 0.368 4.699 4.340 -0.014 0.000 0.269 23 L C -2.268 174.604 176.870 0.003 0.000 1.179 23 L CA -2.227 52.611 54.840 -0.003 0.000 0.828 23 L CB -0.074 41.985 42.059 0.001 0.000 1.106 23 L HN 0.034 nan 8.230 nan 0.000 0.467 24 P HA -0.038 nan 4.420 nan 0.000 0.266 24 P C 0.060 177.386 177.300 0.043 0.000 1.195 24 P CA -0.137 62.972 63.100 0.014 0.000 0.768 24 P CB 0.587 32.290 31.700 0.004 0.000 0.838 25 Q N 2.461 122.295 119.800 0.057 0.000 2.062 25 Q HA -0.275 4.056 4.340 -0.014 0.000 0.209 25 Q C 1.537 177.603 176.000 0.110 0.000 0.996 25 Q CA 2.098 57.944 55.803 0.071 0.000 0.859 25 Q CB -0.544 28.230 28.738 0.061 0.000 0.920 25 Q HN 0.372 nan 8.270 nan 0.000 0.415 26 E N -0.811 119.482 120.200 0.155 0.000 2.150 26 E HA -0.083 4.259 4.350 -0.014 0.000 0.193 26 E C 2.080 178.896 176.600 0.361 0.000 0.985 26 E CA 1.018 57.567 56.400 0.248 0.000 0.814 26 E CB -0.208 29.654 29.700 0.269 0.000 0.752 26 E HN 0.298 nan 8.360 nan 0.000 0.466 27 V N 1.208 121.242 119.914 0.200 0.000 2.358 27 V HA -0.216 3.896 4.120 -0.014 0.000 0.246 27 V C 2.598 178.777 176.094 0.142 0.000 1.047 27 V CA 1.833 64.162 62.300 0.048 0.000 1.035 27 V CB -0.510 31.183 31.823 -0.217 0.000 0.658 27 V HN 0.188 nan 8.190 nan 0.000 0.452 28 R N 0.411 120.970 120.500 0.097 0.000 2.083 28 R HA -0.222 4.110 4.340 -0.014 0.000 0.237 28 R C 2.395 178.758 176.300 0.105 0.000 1.137 28 R CA 1.935 58.084 56.100 0.082 0.000 0.951 28 R CB -0.208 30.131 30.300 0.065 0.000 0.851 28 R HN 0.460 nan 8.270 nan 0.000 0.434 29 K N -0.501 119.985 120.400 0.144 0.000 2.057 29 K HA -0.180 4.131 4.320 -0.014 0.000 0.207 29 K C 1.927 178.640 176.600 0.189 0.000 1.049 29 K CA 1.591 57.964 56.287 0.144 0.000 0.931 29 K CB -0.327 32.260 32.500 0.146 0.000 0.714 29 K HN 0.134 nan 8.250 nan 0.000 0.440 30 F N 1.540 121.554 119.950 0.106 0.000 2.102 30 F HA -0.215 4.303 4.527 -0.014 0.000 0.298 30 F C 1.877 177.710 175.800 0.055 0.000 1.105 30 F CA 1.147 59.217 58.000 0.115 0.000 1.239 30 F CB -0.520 38.628 39.000 0.246 0.000 0.991 30 F HN -0.278 nan 8.300 nan 0.000 0.474 31 V N 0.623 120.479 119.914 -0.096 0.000 2.261 31 V HA -0.293 3.818 4.120 -0.014 0.000 0.246 31 V C 2.345 178.292 176.094 -0.244 0.000 1.047 31 V CA 2.391 64.549 62.300 -0.237 0.000 1.015 31 V CB -0.776 30.987 31.823 -0.100 0.000 0.642 31 V HN 0.341 nan 8.190 nan 0.000 0.446 32 E N 0.172 120.290 120.200 -0.136 0.000 2.152 32 E HA -0.095 4.247 4.350 -0.014 0.000 0.192 32 E C 2.317 178.805 176.600 -0.186 0.000 0.983 32 E CA 1.026 57.319 56.400 -0.178 0.000 0.818 32 E CB -0.402 29.297 29.700 -0.002 0.000 0.758 32 E HN 0.652 nan 8.360 nan 0.000 0.467 33 G N 1.537 110.285 108.800 -0.087 0.000 2.402 33 G HA2 -0.235 3.717 3.960 -0.014 0.000 0.216 33 G HA3 -0.235 3.717 3.960 -0.014 0.000 0.216 33 G C 1.483 176.324 174.900 -0.099 0.000 1.162 33 G CA 0.461 45.535 45.100 -0.044 0.000 0.777 33 G HN 0.130 nan 8.290 nan 0.000 0.539 34 N N 0.908 119.497 118.700 -0.185 0.000 2.354 34 N HA 0.020 4.752 4.740 -0.014 0.000 0.179 34 N C 2.498 177.864 175.510 -0.241 0.000 1.021 34 N CA 0.856 53.795 53.050 -0.186 0.000 0.887 34 N CB -0.088 38.233 38.487 -0.277 0.000 0.974 34 N HN 0.300 nan 8.380 nan 0.000 0.437 35 A N 1.521 124.082 122.820 -0.431 0.000 1.902 35 A HA -0.187 4.124 4.320 -0.014 0.000 0.217 35 A C 2.163 179.403 177.584 -0.573 0.000 1.181 35 A CA 1.239 52.850 52.037 -0.710 0.000 0.623 35 A CB -0.545 17.567 19.000 -1.481 0.000 0.818 35 A HN 0.301 nan 8.150 nan 0.000 0.443 36 Q N -0.971 118.589 119.800 -0.399 0.000 2.061 36 Q HA -0.184 4.147 4.340 -0.014 0.000 0.204 36 Q C 2.103 178.127 176.000 0.040 0.000 0.984 36 Q CA 1.644 57.462 55.803 0.025 0.000 0.846 36 Q CB -0.400 28.392 28.738 0.090 0.000 0.902 36 Q HN 0.624 nan 8.270 nan 0.000 0.421 37 L N -0.261 120.960 121.223 -0.003 0.000 2.023 37 L HA -0.107 4.225 4.340 -0.014 0.000 0.205 37 L C 1.907 178.793 176.870 0.027 0.000 1.073 37 L CA 1.770 56.629 54.840 0.032 0.000 0.745 37 L CB -0.427 41.666 42.059 0.057 0.000 0.900 37 L HN 0.252 nan 8.230 nan 0.000 0.435 38 C N -0.456 118.850 119.300 0.010 0.000 2.563 38 C HA 0.152 4.603 4.460 -0.014 0.000 0.268 38 C C 1.174 176.177 174.990 0.020 0.000 1.365 38 C CA -0.035 59.002 59.018 0.031 0.000 1.754 38 C CB -1.107 26.661 27.740 0.045 0.000 1.932 38 C HN 0.706 nan 8.230 nan 0.000 0.536 39 Q N -0.544 119.275 119.800 0.033 0.000 2.463 39 Q HA -0.156 4.175 4.340 -0.014 0.000 0.299 39 Q C -2.324 173.711 176.000 0.057 0.000 1.353 39 Q CA 0.032 55.889 55.803 0.090 0.000 0.828 39 Q CB -1.390 27.388 28.738 0.067 0.000 1.157 39 Q HN 0.505 nan 8.270 nan 0.000 0.436 40 P HA -0.108 nan 4.420 nan 0.000 0.269 40 P C 0.313 177.617 177.300 0.006 0.000 1.215 40 P CA 0.374 63.477 63.100 0.006 0.000 0.780 40 P CB 0.784 32.477 31.700 -0.013 0.000 0.898 41 E N 0.911 121.041 120.200 -0.116 0.000 2.107 41 E HA -0.110 4.232 4.350 -0.014 0.000 0.191 41 E C -0.272 176.067 176.600 -0.435 0.000 0.982 41 E CA 0.990 57.195 56.400 -0.325 0.000 0.809 41 E CB 0.077 29.469 29.700 -0.512 0.000 0.756 41 E HN 0.423 nan 8.360 nan 0.000 0.459 42 Y N -0.978 119.331 120.300 0.015 0.000 2.609 42 Y HA 0.492 5.034 4.550 -0.014 0.000 0.342 42 Y C -0.462 175.422 175.900 -0.027 0.000 1.058 42 Y CA -1.132 56.970 58.100 0.002 0.000 1.055 42 Y CB 1.482 39.920 38.460 -0.036 0.000 1.292 42 Y HN -0.165 nan 8.280 nan 0.000 0.476 43 I N 1.288 121.972 120.570 0.191 0.000 2.436 43 I HA 0.292 4.454 4.170 -0.014 0.000 0.289 43 I C -1.187 174.963 176.117 0.055 0.000 1.010 43 I CA -0.582 60.760 61.300 0.071 0.000 1.098 43 I CB 1.837 39.883 38.000 0.076 0.000 1.266 43 I HN 0.646 nan 8.210 nan 0.000 0.434 44 H N 6.771 125.776 119.070 -0.108 0.000 2.708 44 H HA 0.543 5.091 4.556 -0.014 0.000 0.320 44 H C -1.078 174.271 175.328 0.035 0.000 0.991 44 H CA -0.562 55.451 56.048 -0.058 0.000 1.243 44 H CB 1.065 30.750 29.762 -0.128 0.000 1.446 44 H HN 0.480 nan 8.280 nan 0.000 0.502 45 I N 6.027 126.597 120.570 0.001 0.000 2.301 45 I HA 0.093 4.255 4.170 -0.014 0.000 0.292 45 I C 0.117 176.301 176.117 0.112 0.000 1.046 45 I CA -0.493 60.852 61.300 0.075 0.000 1.282 45 I CB 0.450 38.455 38.000 0.008 0.000 1.409 45 I HN 0.626 nan 8.210 nan 0.000 0.484 46 C N 5.025 124.488 119.300 0.271 0.000 2.662 46 C HA 0.038 4.490 4.460 -0.014 0.000 0.420 46 C C 1.482 176.553 174.990 0.135 0.000 1.314 46 C CA -0.336 58.851 59.018 0.282 0.000 1.963 46 C CB -0.082 27.801 27.740 0.238 0.000 2.686 46 C HN 0.828 nan 8.230 nan 0.000 0.609 47 D N -0.262 120.208 120.400 0.116 0.000 2.407 47 D HA 0.175 4.807 4.640 -0.014 0.000 0.208 47 D C 1.433 177.766 176.300 0.054 0.000 1.083 47 D CA 0.661 54.699 54.000 0.063 0.000 0.844 47 D CB -0.254 40.569 40.800 0.038 0.000 0.967 47 D HN 0.938 nan 8.370 nan 0.000 0.506 48 G N 0.620 109.459 108.800 0.065 0.000 2.162 48 G HA2 -0.306 3.646 3.960 -0.014 0.000 0.260 48 G HA3 -0.306 3.646 3.960 -0.014 0.000 0.260 48 G C 0.455 175.362 174.900 0.012 0.000 0.976 48 G CA 0.656 45.767 45.100 0.019 0.000 0.655 48 G HN 0.877 nan 8.290 nan 0.000 0.533 49 S N -0.447 115.281 115.700 0.047 0.000 2.593 49 S HA 0.500 4.961 4.470 -0.014 0.000 0.269 49 S C 1.190 175.838 174.600 0.081 0.000 1.334 49 S CA 0.666 58.898 58.200 0.053 0.000 1.015 49 S CB 1.878 65.114 63.200 0.059 0.000 0.912 49 S HN 0.387 nan 8.310 nan 0.000 0.541 50 E N 1.197 121.448 120.200 0.086 0.000 2.118 50 E HA -0.160 4.182 4.350 -0.014 0.000 0.195 50 E C 1.560 178.254 176.600 0.156 0.000 0.992 50 E CA 1.835 58.321 56.400 0.143 0.000 0.804 50 E CB -0.477 29.293 29.700 0.117 0.000 0.741 50 E HN 0.797 nan 8.360 nan 0.000 0.458 51 E N 0.610 120.875 120.200 0.109 0.000 2.038 51 E HA -0.223 4.119 4.350 -0.014 0.000 0.195 51 E C 2.014 178.678 176.600 0.106 0.000 1.000 51 E CA 1.628 58.084 56.400 0.093 0.000 0.803 51 E CB -0.395 29.346 29.700 0.069 0.000 0.750 51 E HN 0.517 nan 8.360 nan 0.000 0.448 52 E N -0.569 119.706 120.200 0.125 0.000 2.085 52 E HA -0.278 4.064 4.350 -0.014 0.000 0.194 52 E C 2.015 178.706 176.600 0.152 0.000 0.994 52 E CA 1.139 57.631 56.400 0.153 0.000 0.801 52 E CB -0.253 29.558 29.700 0.186 0.000 0.743 52 E HN 0.359 nan 8.360 nan 0.000 0.453 53 Y N 0.642 120.945 120.300 0.004 0.000 2.163 53 Y HA 0.009 4.550 4.550 -0.014 0.000 0.288 53 Y C 2.184 178.050 175.900 -0.056 0.000 1.136 53 Y CA 1.866 59.939 58.100 -0.045 0.000 1.147 53 Y CB -0.813 37.628 38.460 -0.031 0.000 0.987 53 Y HN 0.108 nan 8.280 nan 0.000 0.509 54 G N -0.097 108.697 108.800 -0.010 0.000 2.418 54 G HA2 -0.246 3.706 3.960 -0.014 0.000 0.217 54 G HA3 -0.246 3.706 3.960 -0.014 0.000 0.217 54 G C 1.792 176.641 174.900 -0.084 0.000 1.158 54 G CA 0.820 45.864 45.100 -0.093 0.000 0.771 54 G HN 0.364 nan 8.290 nan 0.000 0.545 55 R N -0.855 119.636 120.500 -0.015 0.000 2.115 55 R HA 0.103 4.435 4.340 -0.014 0.000 0.226 55 R C 2.371 178.661 176.300 -0.017 0.000 1.100 55 R CA 0.465 56.567 56.100 0.003 0.000 0.980 55 R CB -0.379 29.942 30.300 0.034 0.000 0.875 55 R HN 0.285 nan 8.270 nan 0.000 0.445 56 L N 0.887 122.077 121.223 -0.054 0.000 2.027 56 L HA -0.109 4.223 4.340 -0.014 0.000 0.206 56 L C 1.871 178.631 176.870 -0.183 0.000 1.074 56 L CA 1.627 56.423 54.840 -0.073 0.000 0.745 56 L CB -0.478 41.510 42.059 -0.118 0.000 0.898 56 L HN 0.147 nan 8.230 nan 0.000 0.433 57 L N -0.972 120.007 121.223 -0.408 0.000 2.046 57 L HA -0.206 4.126 4.340 -0.014 0.000 0.208 57 L C 2.604 179.181 176.870 -0.488 0.000 1.077 57 L CA 1.303 55.704 54.840 -0.732 0.000 0.747 57 L CB -0.868 40.441 42.059 -1.250 0.000 0.896 57 L HN 0.324 nan 8.230 nan 0.000 0.432 58 A N -1.247 121.442 122.820 -0.217 0.000 1.933 58 A HA -0.265 4.046 4.320 -0.014 0.000 0.218 58 A C 2.261 179.878 177.584 0.054 0.000 1.175 58 A CA 1.635 53.666 52.037 -0.009 0.000 0.628 58 A CB -0.904 18.131 19.000 0.058 0.000 0.814 58 A HN 0.554 nan 8.150 nan 0.000 0.444 59 H N -0.839 118.195 119.070 -0.060 0.000 2.326 59 H HA -0.044 4.504 4.556 -0.014 0.000 0.301 59 H C 2.061 177.378 175.328 -0.018 0.000 1.081 59 H CA 1.659 57.694 56.048 -0.021 0.000 1.334 59 H CB -0.149 29.604 29.762 -0.015 0.000 1.385 59 H HN 0.432 nan 8.280 nan 0.000 0.504 60 M N 0.546 120.016 119.600 -0.218 0.000 2.149 60 M HA -0.237 4.235 4.480 -0.014 0.000 0.261 60 M C 2.614 178.852 176.300 -0.103 0.000 1.064 60 M CA 1.690 56.852 55.300 -0.229 0.000 1.102 60 M CB -0.317 32.183 32.600 -0.167 0.000 1.369 60 M HN 0.430 nan 8.290 nan 0.000 0.408 61 Q N 0.742 120.522 119.800 -0.033 0.000 2.050 61 Q HA -0.218 4.114 4.340 -0.014 0.000 0.202 61 Q C 1.683 177.725 176.000 0.070 0.000 0.980 61 Q CA 1.770 57.635 55.803 0.104 0.000 0.840 61 Q CB 0.012 28.893 28.738 0.238 0.000 0.898 61 Q HN 0.536 nan 8.270 nan 0.000 0.424 62 E N 0.255 120.484 120.200 0.048 0.000 2.070 62 E HA -0.215 4.126 4.350 -0.014 0.000 0.197 62 E C 1.760 178.374 176.600 0.022 0.000 1.004 62 E CA 1.370 57.804 56.400 0.057 0.000 0.805 62 E CB -0.038 29.721 29.700 0.099 0.000 0.744 62 E HN 0.424 nan 8.360 nan 0.000 0.451 63 E N -0.676 119.493 120.200 -0.053 0.000 2.511 63 E HA -0.020 4.321 4.350 -0.014 0.000 0.196 63 E C 0.951 177.541 176.600 -0.018 0.000 1.066 63 E CA 0.437 56.798 56.400 -0.065 0.000 0.871 63 E CB 0.418 29.998 29.700 -0.199 0.000 0.863 63 E HN 0.437 nan 8.360 nan 0.000 0.520 64 G N 1.031 109.840 108.800 0.015 0.000 2.148 64 G HA2 -0.307 3.645 3.960 -0.014 0.000 0.254 64 G HA3 -0.307 3.645 3.960 -0.014 0.000 0.254 64 G C 1.070 176.014 174.900 0.072 0.000 0.981 64 G CA 0.496 45.628 45.100 0.054 0.000 0.670 64 G HN 0.266 nan 8.290 nan 0.000 0.528 65 V N 0.516 120.459 119.914 0.047 0.000 2.548 65 V HA 0.187 4.299 4.120 -0.014 0.000 0.249 65 V C 1.590 177.788 176.094 0.173 0.000 1.055 65 V CA 2.117 64.470 62.300 0.089 0.000 1.065 65 V CB -0.427 31.405 31.823 0.016 0.000 0.681 65 V HN 0.804 nan 8.190 nan 0.000 0.462 66 I N -2.802 117.869 120.570 0.169 0.000 3.074 66 I HA 0.653 4.815 4.170 -0.014 0.000 0.310 66 I C -0.636 175.659 176.117 0.297 0.000 1.153 66 I CA -1.225 60.235 61.300 0.266 0.000 0.993 66 I CB 2.372 40.547 38.000 0.291 0.000 1.237 66 I HN -0.211 nan 8.210 nan 0.000 0.443 67 R N 1.826 122.537 120.500 0.351 0.000 2.670 67 R HA 0.447 4.778 4.340 -0.014 0.000 0.289 67 R C -0.954 175.534 176.300 0.315 0.000 0.965 67 R CA -1.018 55.255 56.100 0.289 0.000 0.899 67 R CB 2.569 32.972 30.300 0.173 0.000 1.173 67 R HN 0.565 nan 8.270 nan 0.000 0.456 68 K N 2.686 123.150 120.400 0.107 0.000 2.368 68 K HA 0.147 4.459 4.320 -0.014 0.000 0.282 68 K C -0.541 175.909 176.600 -0.250 0.000 1.035 68 K CA -0.139 55.887 56.287 -0.436 0.000 0.973 68 K CB 0.526 32.646 32.500 -0.632 0.000 0.957 68 K HN 0.438 nan 8.250 nan 0.000 0.474 69 L N 6.859 127.920 121.223 -0.270 0.000 2.334 69 L HA 0.128 4.460 4.340 -0.014 0.000 0.286 69 L C 1.365 178.087 176.870 -0.248 0.000 1.108 69 L CA -0.166 54.577 54.840 -0.161 0.000 0.875 69 L CB 0.431 42.502 42.059 0.020 0.000 1.246 69 L HN 0.724 nan 8.230 nan 0.000 0.439 70 K N 1.748 122.003 120.400 -0.241 0.000 2.360 70 K HA -0.191 4.121 4.320 -0.014 0.000 0.201 70 K C 1.683 178.122 176.600 -0.268 0.000 1.046 70 K CA 1.128 57.280 56.287 -0.225 0.000 0.945 70 K CB 0.053 32.454 32.500 -0.166 0.000 0.750 70 K HN 0.379 nan 8.250 nan 0.000 0.464 71 K N -0.197 119.936 120.400 -0.444 0.000 2.211 71 K HA -0.063 4.249 4.320 -0.014 0.000 0.203 71 K C -0.255 176.039 176.600 -0.510 0.000 1.050 71 K CA 0.830 56.761 56.287 -0.592 0.000 0.945 71 K CB 0.097 32.029 32.500 -0.947 0.000 0.732 71 K HN 0.138 nan 8.250 nan 0.000 0.451 72 Y N -0.331 119.927 120.300 -0.069 0.000 2.654 72 Y HA 0.239 4.781 4.550 -0.014 0.000 0.327 72 Y C -0.297 175.573 175.900 -0.050 0.000 1.122 72 Y CA -2.288 55.790 58.100 -0.038 0.000 1.227 72 Y CB 0.372 38.835 38.460 0.006 0.000 1.370 72 Y HN -0.148 nan 8.280 nan 0.000 0.528 73 D N 1.124 121.630 120.400 0.177 0.000 2.380 73 D HA 0.066 4.698 4.640 -0.014 0.000 0.230 73 D C -0.014 176.340 176.300 0.090 0.000 1.154 73 D CA 0.089 54.144 54.000 0.092 0.000 0.859 73 D CB -0.245 40.611 40.800 0.094 0.000 1.045 73 D HN 0.659 nan 8.370 nan 0.000 0.495 74 N N 3.141 121.852 118.700 0.019 0.000 2.714 74 N HA -0.214 4.518 4.740 -0.014 0.000 0.253 74 N C -1.209 174.333 175.510 0.052 0.000 1.024 74 N CA 0.171 53.251 53.050 0.050 0.000 0.726 74 N CB -1.012 37.606 38.487 0.218 0.000 0.908 74 N HN 0.305 nan 8.380 nan 0.000 0.542 75 C N 0.408 119.602 119.300 -0.177 0.000 2.529 75 C HA 0.752 5.203 4.460 -0.014 0.000 0.329 75 C C -0.230 174.586 174.990 -0.291 0.000 1.194 75 C CA -0.535 58.520 59.018 0.062 0.000 1.779 75 C CB 0.775 28.738 27.740 0.370 0.000 2.322 75 C HN 0.537 nan 8.230 nan 0.000 0.500 76 W N 1.292 122.790 121.300 0.331 0.000 3.083 76 W HA 0.701 5.352 4.660 -0.014 0.000 0.333 76 W C -0.976 175.762 176.519 0.364 0.000 1.217 76 W CA -0.677 56.829 57.345 0.269 0.000 1.170 76 W CB 1.134 30.699 29.460 0.175 0.000 1.437 76 W HN 0.389 nan 8.180 nan 0.000 0.557 77 L N 2.461 124.007 121.223 0.538 0.000 2.406 77 L HA 0.907 5.239 4.340 -0.014 0.000 0.272 77 L C -0.864 176.244 176.870 0.397 0.000 0.980 77 L CA -0.662 54.447 54.840 0.447 0.000 0.831 77 L CB 1.314 43.562 42.059 0.314 0.000 1.253 77 L HN 0.510 nan 8.230 nan 0.000 0.406 78 A N 6.023 129.082 122.820 0.399 0.000 2.317 78 A HA 0.810 5.121 4.320 -0.014 0.000 0.327 78 A C -1.232 176.471 177.584 0.198 0.000 1.178 78 A CA -0.544 51.691 52.037 0.330 0.000 0.817 78 A CB 0.771 20.035 19.000 0.440 0.000 1.189 78 A HN 0.722 nan 8.150 nan 0.000 0.489 79 L N 2.597 123.908 121.223 0.146 0.000 2.313 79 L HA 0.528 4.860 4.340 -0.014 0.000 0.283 79 L C 0.778 177.597 176.870 -0.085 0.000 1.013 79 L CA -0.606 54.285 54.840 0.085 0.000 0.816 79 L CB 2.036 44.164 42.059 0.116 0.000 1.236 79 L HN 0.924 nan 8.230 nan 0.000 0.419 80 T N -2.257 112.113 114.554 -0.305 0.000 2.897 80 T HA 0.222 4.564 4.350 -0.014 0.000 0.278 80 T C -0.137 174.391 174.700 -0.286 0.000 0.981 80 T CA -0.852 60.766 62.100 -0.802 0.000 0.973 80 T CB 1.788 69.823 68.868 -1.389 0.000 1.092 80 T HN 0.490 nan 8.240 nan 0.000 0.543 81 D N 1.107 121.370 120.400 -0.229 0.000 2.458 81 D HA 0.144 4.776 4.640 -0.014 0.000 0.243 81 D C -1.580 174.702 176.300 -0.030 0.000 1.146 81 D CA -1.853 52.151 54.000 0.007 0.000 0.877 81 D CB 1.357 42.272 40.800 0.192 0.000 1.176 81 D HN 0.217 nan 8.370 nan 0.000 0.461 82 P HA -0.012 nan 4.420 nan 0.000 0.228 82 P C 0.875 178.211 177.300 0.060 0.000 1.151 82 P CA 0.740 63.909 63.100 0.115 0.000 0.770 82 P CB 0.201 31.951 31.700 0.083 0.000 0.786 83 R N -0.890 119.633 120.500 0.038 0.000 2.276 83 R HA 0.015 4.347 4.340 -0.014 0.000 0.203 83 R C 0.287 176.593 176.300 0.010 0.000 1.017 83 R CA 0.658 56.780 56.100 0.036 0.000 1.010 83 R CB -0.168 30.167 30.300 0.059 0.000 0.900 83 R HN 0.103 nan 8.270 nan 0.000 0.469 84 D N 0.119 120.503 120.400 -0.028 0.000 2.400 84 D HA 0.071 4.702 4.640 -0.014 0.000 0.272 84 D C 0.257 176.385 176.300 -0.286 0.000 1.220 84 D CA -0.309 53.681 54.000 -0.016 0.000 0.897 84 D CB 1.258 42.209 40.800 0.252 0.000 1.134 84 D HN -0.047 nan 8.370 nan 0.000 0.507 85 V N 0.267 119.859 119.914 -0.537 0.000 3.398 85 V HA 0.859 4.971 4.120 -0.014 0.000 0.298 85 V C 0.395 175.601 176.094 -1.480 0.000 1.496 85 V CA 0.311 61.952 62.300 -1.099 0.000 1.044 85 V CB -0.084 31.079 31.823 -1.100 0.000 0.880 85 V HN 0.436 nan 8.190 nan 0.000 0.443 86 A N 0.313 122.580 122.820 -0.921 0.000 2.597 86 A HA 0.674 4.986 4.320 -0.014 0.000 0.292 86 A C -0.295 177.288 177.584 -0.001 0.000 1.057 86 A CA -0.805 50.979 52.037 -0.421 0.000 0.674 86 A CB 1.102 19.995 19.000 -0.179 0.000 1.278 86 A HN 0.379 nan 8.150 nan 0.000 0.416 87 R N 0.158 120.783 120.500 0.209 0.000 2.523 87 R HA 0.164 4.495 4.340 -0.014 0.000 0.281 87 R C -1.068 175.304 176.300 0.119 0.000 0.969 87 R CA 0.757 56.981 56.100 0.208 0.000 1.093 87 R CB -0.319 30.130 30.300 0.249 0.000 0.917 87 R HN 0.502 nan 8.270 nan 0.000 0.408 88 I N 3.261 123.903 120.570 0.120 0.000 2.437 88 I HA 0.150 4.312 4.170 -0.014 0.000 0.279 88 I C 0.872 177.037 176.117 0.081 0.000 1.028 88 I CA -0.390 60.960 61.300 0.082 0.000 1.142 88 I CB 1.758 39.809 38.000 0.085 0.000 1.266 88 I HN 0.720 nan 8.210 nan 0.000 0.461 89 E N 3.402 123.627 120.200 0.042 0.000 2.110 89 E HA -0.220 4.121 4.350 -0.014 0.000 0.193 89 E C 1.945 178.569 176.600 0.041 0.000 0.988 89 E CA 1.753 58.162 56.400 0.015 0.000 0.804 89 E CB 0.310 29.983 29.700 -0.044 0.000 0.745 89 E HN 0.799 nan 8.360 nan 0.000 0.458 90 S N -0.419 115.308 115.700 0.046 0.000 2.507 90 S HA -0.036 4.426 4.470 -0.014 0.000 0.235 90 S C 1.290 175.935 174.600 0.076 0.000 0.988 90 S CA 0.496 58.729 58.200 0.054 0.000 0.944 90 S CB 0.111 63.339 63.200 0.046 0.000 0.762 90 S HN 0.098 nan 8.310 nan 0.000 0.526 91 K N 1.253 121.711 120.400 0.095 0.000 2.438 91 K HA 0.256 4.568 4.320 -0.014 0.000 0.205 91 K C -0.493 176.197 176.600 0.150 0.000 1.033 91 K CA 0.057 56.417 56.287 0.121 0.000 1.089 91 K CB 0.928 33.507 32.500 0.131 0.000 0.857 91 K HN 0.287 nan 8.250 nan 0.000 0.522 92 T N 1.835 116.475 114.554 0.143 0.000 2.771 92 T HA 0.461 4.803 4.350 -0.014 0.000 0.281 92 T C -0.078 174.725 174.700 0.172 0.000 0.982 92 T CA -0.656 61.557 62.100 0.189 0.000 0.978 92 T CB 1.736 70.718 68.868 0.191 0.000 0.930 92 T HN 0.038 nan 8.240 nan 0.000 0.447 93 V N 0.916 120.959 119.914 0.214 0.000 3.159 93 V HA 0.781 4.892 4.120 -0.014 0.000 0.308 93 V C -1.240 174.974 176.094 0.200 0.000 1.190 93 V CA -1.230 61.164 62.300 0.156 0.000 1.037 93 V CB 1.968 33.845 31.823 0.090 0.000 1.060 93 V HN 0.843 nan 8.190 nan 0.000 0.437 94 I N 2.436 123.077 120.570 0.118 0.000 2.498 94 I HA 0.527 4.689 4.170 -0.014 0.000 0.290 94 I C -1.256 174.869 176.117 0.013 0.000 1.032 94 I CA -0.618 60.748 61.300 0.110 0.000 1.073 94 I CB 2.104 40.180 38.000 0.127 0.000 1.251 94 I HN 0.506 nan 8.210 nan 0.000 0.426 95 I N 5.549 126.074 120.570 -0.075 0.000 2.336 95 I HA 0.423 4.584 4.170 -0.014 0.000 0.292 95 I C 0.294 176.436 176.117 0.041 0.000 0.991 95 I CA 0.162 61.372 61.300 -0.149 0.000 1.227 95 I CB 1.648 39.486 38.000 -0.270 0.000 1.366 95 I HN 0.603 nan 8.210 nan 0.000 0.466 96 T N 1.082 115.785 114.554 0.248 0.000 2.883 96 T HA 0.331 4.673 4.350 -0.014 0.000 0.301 96 T C 0.392 175.330 174.700 0.396 0.000 1.158 96 T CA -0.726 61.551 62.100 0.294 0.000 1.007 96 T CB 1.584 70.625 68.868 0.289 0.000 1.186 96 T HN 0.424 nan 8.240 nan 0.000 0.499 97 Q N 0.451 120.387 119.800 0.226 0.000 2.096 97 Q HA -0.061 4.271 4.340 -0.014 0.000 0.204 97 Q C 0.142 176.291 176.000 0.248 0.000 0.982 97 Q CA 1.719 57.646 55.803 0.206 0.000 0.850 97 Q CB 0.092 28.890 28.738 0.101 0.000 0.901 97 Q HN 0.668 nan 8.270 nan 0.000 0.422 98 E N -0.115 120.165 120.200 0.133 0.000 2.176 98 E HA 0.048 4.389 4.350 -0.014 0.000 0.267 98 E C -0.368 176.015 176.600 -0.363 0.000 0.893 98 E CA -0.295 56.059 56.400 -0.077 0.000 0.761 98 E CB 1.545 31.195 29.700 -0.083 0.000 1.133 98 E HN 0.384 nan 8.360 nan 0.000 0.409 99 Q N 3.257 122.467 119.800 -0.984 0.000 2.096 99 Q HA -0.200 4.132 4.340 -0.014 0.000 0.204 99 Q C 1.749 177.354 176.000 -0.659 0.000 0.982 99 Q CA 1.582 56.417 55.803 -1.613 0.000 0.850 99 Q CB 0.140 27.855 28.738 -1.705 0.000 0.901 99 Q HN 0.394 nan 8.270 nan 0.000 0.422 100 R N 0.047 120.307 120.500 -0.400 0.000 2.170 100 R HA -0.157 4.174 4.340 -0.014 0.000 0.242 100 R C 1.208 177.435 176.300 -0.122 0.000 1.145 100 R CA 1.640 57.613 56.100 -0.212 0.000 0.984 100 R CB 0.044 30.251 30.300 -0.156 0.000 0.869 100 R HN 0.414 nan 8.270 nan 0.000 0.455 101 D N -1.337 119.003 120.400 -0.100 0.000 2.312 101 D HA -0.066 4.566 4.640 -0.014 0.000 0.211 101 D C 1.227 177.563 176.300 0.061 0.000 0.964 101 D CA 1.120 55.120 54.000 -0.001 0.000 0.877 101 D CB 0.267 41.076 40.800 0.016 0.000 0.924 101 D HN 0.232 nan 8.370 nan 0.000 0.515 102 T N -0.228 114.340 114.554 0.024 0.000 3.021 102 T HA 0.094 4.435 4.350 -0.014 0.000 0.245 102 T C 0.900 175.626 174.700 0.043 0.000 1.028 102 T CA 0.308 62.470 62.100 0.104 0.000 1.139 102 T CB 0.748 69.767 68.868 0.252 0.000 0.884 102 T HN 0.029 nan 8.240 nan 0.000 0.457 103 V N -1.020 118.877 119.914 -0.029 0.000 3.049 103 V HA 0.667 4.778 4.120 -0.014 0.000 0.309 103 V C -3.364 172.678 176.094 -0.087 0.000 1.148 103 V CA -3.298 58.973 62.300 -0.048 0.000 0.990 103 V CB 1.980 33.790 31.823 -0.021 0.000 1.039 103 V HN -0.145 nan 8.190 nan 0.000 0.430 104 P HA 0.303 nan 4.420 nan 0.000 0.271 104 P C -0.511 176.730 177.300 -0.099 0.000 1.218 104 P CA -0.185 62.860 63.100 -0.093 0.000 0.780 104 P CB 0.296 31.942 31.700 -0.091 0.000 0.901 105 I N 4.319 124.827 120.570 -0.103 0.000 2.436 105 I HA 0.157 4.319 4.170 -0.014 0.000 0.289 105 I C -2.000 174.067 176.117 -0.083 0.000 1.083 105 I CA -2.665 58.575 61.300 -0.099 0.000 1.372 105 I CB -0.373 37.565 38.000 -0.103 0.000 1.408 105 I HN 0.159 nan 8.210 nan 0.000 0.516 106 P HA 0.172 nan 4.420 nan 0.000 0.274 106 P C 0.769 178.030 177.300 -0.065 0.000 1.237 106 P CA -0.473 62.579 63.100 -0.080 0.000 0.793 106 P CB 1.215 32.871 31.700 -0.073 0.000 0.977 107 K N 0.921 121.281 120.400 -0.067 0.000 2.031 107 K HA -0.094 4.217 4.320 -0.014 0.000 0.205 107 K C 1.293 177.869 176.600 -0.039 0.000 1.049 107 K CA 2.141 58.398 56.287 -0.051 0.000 0.939 107 K CB -0.048 32.422 32.500 -0.050 0.000 0.717 107 K HN 0.555 nan 8.250 nan 0.000 0.438 108 S N -1.856 113.820 115.700 -0.040 0.000 2.727 108 S HA 0.261 4.723 4.470 -0.014 0.000 0.249 108 S C 0.805 175.392 174.600 -0.022 0.000 1.079 108 S CA -0.187 57.997 58.200 -0.027 0.000 0.912 108 S CB 0.767 63.954 63.200 -0.022 0.000 0.861 108 S HN 0.285 nan 8.310 nan 0.000 0.484 109 G N 0.983 109.766 108.800 -0.028 0.000 2.753 109 G HA2 0.581 4.533 3.960 -0.014 0.000 0.285 109 G HA3 0.581 4.533 3.960 -0.014 0.000 0.285 109 G C -1.094 173.796 174.900 -0.017 0.000 1.344 109 G CA -0.586 44.503 45.100 -0.018 0.000 1.050 109 G HN 0.131 nan 8.290 nan 0.000 0.532 110 Q N 0.110 119.907 119.800 -0.005 0.000 2.327 110 Q HA 0.252 4.584 4.340 -0.014 0.000 0.254 110 Q C 0.345 176.341 176.000 -0.006 0.000 0.952 110 Q CA -0.075 55.731 55.803 0.004 0.000 0.884 110 Q CB 1.488 30.237 28.738 0.018 0.000 1.224 110 Q HN 0.418 nan 8.270 nan 0.000 0.422 111 S N 1.811 117.509 115.700 -0.003 0.000 2.533 111 S HA -0.015 4.447 4.470 -0.014 0.000 0.282 111 S C 0.662 175.264 174.600 0.004 0.000 1.304 111 S CA -0.033 58.157 58.200 -0.016 0.000 1.063 111 S CB 0.212 63.406 63.200 -0.010 0.000 0.881 111 S HN 0.515 nan 8.310 nan 0.000 0.493 112 Q N 4.253 124.051 119.800 -0.002 0.000 2.201 112 Q HA 0.312 4.644 4.340 -0.014 0.000 0.217 112 Q C 0.370 176.379 176.000 0.016 0.000 0.860 112 Q CA -0.040 55.776 55.803 0.022 0.000 0.984 112 Q CB -0.033 28.739 28.738 0.058 0.000 1.095 112 Q HN 0.664 nan 8.270 nan 0.000 0.477 113 L N 0.376 121.597 121.223 -0.003 0.000 2.857 113 L HA 0.508 4.840 4.340 -0.014 0.000 0.249 113 L C 0.463 177.366 176.870 0.056 0.000 1.172 113 L CA -0.081 54.761 54.840 0.003 0.000 0.980 113 L CB 0.902 42.896 42.059 -0.109 0.000 1.299 113 L HN 0.412 nan 8.230 nan 0.000 0.535 114 G N 0.194 109.020 108.800 0.043 0.000 2.337 114 G HA2 0.258 4.210 3.960 -0.014 0.000 0.298 114 G HA3 0.258 4.210 3.960 -0.014 0.000 0.298 114 G C -1.450 173.498 174.900 0.081 0.000 1.335 114 G CA -0.946 44.191 45.100 0.063 0.000 0.875 114 G HN -0.009 nan 8.290 nan 0.000 0.579 115 R N -0.350 120.218 120.500 0.114 0.000 2.625 115 R HA 0.269 4.601 4.340 -0.014 0.000 0.286 115 R C -1.303 175.117 176.300 0.200 0.000 1.406 115 R CA -0.550 55.633 56.100 0.139 0.000 1.052 115 R CB 1.853 32.212 30.300 0.099 0.000 1.203 115 R HN 0.577 nan 8.270 nan 0.000 0.502 116 W N 5.450 126.773 121.300 0.038 0.000 2.316 116 W HA 0.418 5.070 4.660 -0.014 0.000 0.321 116 W C -0.653 175.900 176.519 0.055 0.000 1.203 116 W CA -0.493 56.877 57.345 0.042 0.000 1.214 116 W CB 0.964 30.442 29.460 0.030 0.000 1.169 116 W HN 0.364 nan 8.180 nan 0.000 0.561 117 M N 6.185 125.359 119.600 -0.709 0.000 2.327 117 M HA 0.309 4.780 4.480 -0.014 0.000 0.298 117 M C -0.132 175.391 176.300 -1.295 0.000 1.065 117 M CA -0.576 54.258 55.300 -0.777 0.000 0.916 117 M CB 1.593 34.035 32.600 -0.264 0.000 1.630 117 M HN 0.562 nan 8.290 nan 0.000 0.442 118 S N 2.669 117.616 115.700 -1.254 0.000 2.584 118 S HA 0.151 4.613 4.470 -0.014 0.000 0.270 118 S C 0.565 174.988 174.600 -0.296 0.000 1.346 118 S CA -0.154 57.555 58.200 -0.818 0.000 1.018 118 S CB 0.876 63.833 63.200 -0.404 0.000 0.899 118 S HN 0.877 nan 8.310 nan 0.000 0.542 119 E N 1.224 121.356 120.200 -0.113 0.000 2.085 119 E HA -0.247 4.094 4.350 -0.014 0.000 0.194 119 E C 2.125 178.743 176.600 0.030 0.000 0.994 119 E CA 1.780 58.181 56.400 0.002 0.000 0.801 119 E CB -0.221 29.495 29.700 0.028 0.000 0.743 119 E HN 0.978 nan 8.360 nan 0.000 0.453 120 E N 1.111 121.312 120.200 0.001 0.000 2.077 120 E HA -0.235 4.107 4.350 -0.014 0.000 0.193 120 E C 1.438 178.032 176.600 -0.009 0.000 0.989 120 E CA 1.549 57.951 56.400 0.002 0.000 0.800 120 E CB -0.124 29.581 29.700 0.009 0.000 0.746 120 E HN 0.124 nan 8.360 nan 0.000 0.452 121 D N 0.159 120.542 120.400 -0.029 0.000 2.117 121 D HA -0.128 4.504 4.640 -0.014 0.000 0.198 121 D C 1.674 177.977 176.300 0.004 0.000 0.982 121 D CA 0.823 54.807 54.000 -0.027 0.000 0.828 121 D CB -0.394 40.371 40.800 -0.057 0.000 0.967 121 D HN 0.205 nan 8.370 nan 0.000 0.464 122 F N 1.936 121.832 119.950 -0.090 0.000 2.134 122 F HA -0.180 4.339 4.527 -0.014 0.000 0.299 122 F C 2.273 178.083 175.800 0.015 0.000 1.097 122 F CA 1.296 59.272 58.000 -0.042 0.000 1.264 122 F CB -0.021 38.934 39.000 -0.075 0.000 1.001 122 F HN -0.201 nan 8.300 nan 0.000 0.479 123 E N 0.608 120.736 120.200 -0.118 0.000 2.085 123 E HA -0.201 4.141 4.350 -0.014 0.000 0.194 123 E C 2.145 178.667 176.600 -0.129 0.000 0.994 123 E CA 1.704 58.014 56.400 -0.149 0.000 0.801 123 E CB -0.181 29.493 29.700 -0.043 0.000 0.743 123 E HN 0.391 nan 8.360 nan 0.000 0.453 124 K N -0.340 119.999 120.400 -0.101 0.000 2.026 124 K HA -0.096 4.215 4.320 -0.014 0.000 0.208 124 K C 2.171 178.695 176.600 -0.128 0.000 1.048 124 K CA 1.172 57.409 56.287 -0.084 0.000 0.929 124 K CB -0.236 32.230 32.500 -0.056 0.000 0.713 124 K HN 0.155 nan 8.250 nan 0.000 0.439 125 A N 1.133 123.845 122.820 -0.180 0.000 1.902 125 A HA -0.187 4.124 4.320 -0.014 0.000 0.217 125 A C 2.019 179.445 177.584 -0.263 0.000 1.181 125 A CA 1.251 53.170 52.037 -0.197 0.000 0.623 125 A CB -0.710 18.203 19.000 -0.144 0.000 0.818 125 A HN 0.354 nan 8.150 nan 0.000 0.443 126 F N 1.397 120.995 119.950 -0.587 0.000 2.102 126 F HA -0.187 4.331 4.527 -0.014 0.000 0.298 126 F C 1.932 177.614 175.800 -0.197 0.000 1.105 126 F CA 2.046 59.785 58.000 -0.436 0.000 1.239 126 F CB -0.198 38.378 39.000 -0.707 0.000 0.991 126 F HN 0.204 nan 8.300 nan 0.000 0.474 127 N N 0.575 119.241 118.700 -0.056 0.000 2.381 127 N HA -0.077 4.655 4.740 -0.014 0.000 0.182 127 N C 1.642 177.048 175.510 -0.172 0.000 1.025 127 N CA 1.113 54.110 53.050 -0.088 0.000 0.888 127 N CB -0.551 37.930 38.487 -0.010 0.000 0.965 127 N HN 0.401 nan 8.380 nan 0.000 0.438 128 A N -0.065 122.630 122.820 -0.207 0.000 2.238 128 A HA 0.133 4.445 4.320 -0.014 0.000 0.208 128 A C 1.974 179.350 177.584 -0.346 0.000 1.177 128 A CA 0.447 52.353 52.037 -0.217 0.000 0.804 128 A CB 0.148 19.044 19.000 -0.172 0.000 0.823 128 A HN 0.165 nan 8.150 nan 0.000 0.482 129 R N -2.871 117.307 120.500 -0.536 0.000 2.610 129 R HA 0.308 4.640 4.340 -0.014 0.000 0.171 129 R C 1.294 177.067 176.300 -0.878 0.000 0.892 129 R CA 0.431 55.902 56.100 -1.049 0.000 1.086 129 R CB -0.192 29.015 30.300 -1.822 0.000 1.320 129 R HN 0.377 nan 8.270 nan 0.000 0.582 130 F N 1.838 121.342 119.950 -0.743 0.000 2.234 130 F HA 0.120 4.638 4.527 -0.014 0.000 0.296 130 F C -1.374 174.249 175.800 -0.295 0.000 1.089 130 F CA -0.218 57.478 58.000 -0.507 0.000 1.343 130 F CB -0.786 37.700 39.000 -0.858 0.000 1.040 130 F HN -0.182 nan 8.300 nan 0.000 0.498 131 P HA 0.109 nan 4.420 nan 0.000 0.262 131 P C 0.637 177.914 177.300 -0.038 0.000 1.199 131 P CA 1.474 64.539 63.100 -0.059 0.000 0.763 131 P CB 0.297 31.959 31.700 -0.063 0.000 0.790 132 G N 2.865 111.661 108.800 -0.007 0.000 2.162 132 G HA2 -0.380 3.571 3.960 -0.014 0.000 0.260 132 G HA3 -0.380 3.571 3.960 -0.014 0.000 0.260 132 G C 1.115 176.011 174.900 -0.006 0.000 0.976 132 G CA 0.288 45.385 45.100 -0.004 0.000 0.655 132 G HN 0.683 nan 8.290 nan 0.000 0.533 133 C N -1.167 118.135 119.300 0.003 0.000 2.456 133 C HA 0.510 4.962 4.460 -0.014 0.000 0.279 133 C C 2.324 177.296 174.990 -0.030 0.000 1.427 133 C CA 1.293 60.311 59.018 -0.000 0.000 1.778 133 C CB -0.674 27.094 27.740 0.047 0.000 1.842 133 C HN 0.472 nan 8.230 nan 0.000 0.531 134 M N 0.240 119.832 119.600 -0.013 0.000 2.419 134 M HA 0.207 4.678 4.480 -0.014 0.000 0.252 134 M C 0.408 176.692 176.300 -0.026 0.000 1.143 134 M CA -0.190 55.095 55.300 -0.025 0.000 0.985 134 M CB -0.106 32.488 32.600 -0.011 0.000 1.489 134 M HN 0.061 nan 8.290 nan 0.000 0.484 135 K N 1.350 121.735 120.400 -0.024 0.000 2.491 135 K HA 0.107 4.418 4.320 -0.014 0.000 0.279 135 K C 1.116 177.691 176.600 -0.042 0.000 1.026 135 K CA 1.538 57.807 56.287 -0.030 0.000 1.070 135 K CB -0.064 32.421 32.500 -0.025 0.000 0.887 135 K HN 0.456 nan 8.250 nan 0.000 0.481 136 G N 3.231 111.994 108.800 -0.062 0.000 2.179 136 G HA2 -0.299 3.652 3.960 -0.014 0.000 0.260 136 G HA3 -0.299 3.652 3.960 -0.014 0.000 0.260 136 G C -0.046 174.826 174.900 -0.048 0.000 0.977 136 G CA 0.473 45.533 45.100 -0.065 0.000 0.641 136 G HN 0.597 nan 8.290 nan 0.000 0.533 137 R N -0.451 120.024 120.500 -0.042 0.000 2.902 137 R HA 0.643 4.975 4.340 -0.014 0.000 0.258 137 R C -0.558 175.732 176.300 -0.017 0.000 1.071 137 R CA -0.539 55.558 56.100 -0.005 0.000 1.024 137 R CB 0.989 31.290 30.300 0.001 0.000 1.184 137 R HN 0.102 nan 8.270 nan 0.000 0.492 138 T N 2.137 116.685 114.554 -0.011 0.000 2.817 138 T HA 0.206 4.548 4.350 -0.014 0.000 0.293 138 T C 0.056 174.620 174.700 -0.227 0.000 0.964 138 T CA -0.283 61.726 62.100 -0.151 0.000 1.085 138 T CB 0.652 69.272 68.868 -0.412 0.000 0.921 138 T HN 0.337 nan 8.240 nan 0.000 0.502 139 M N 4.965 124.467 119.600 -0.163 0.000 2.105 139 M HA 0.347 4.818 4.480 -0.014 0.000 0.350 139 M C -1.516 174.688 176.300 -0.160 0.000 1.308 139 M CA -0.509 54.734 55.300 -0.095 0.000 1.108 139 M CB 0.102 32.668 32.600 -0.057 0.000 1.622 139 M HN 0.565 nan 8.290 nan 0.000 0.468 140 Y N 3.661 124.008 120.300 0.077 0.000 2.310 140 Y HA 0.439 4.981 4.550 -0.014 0.000 0.326 140 Y C -0.072 175.890 175.900 0.102 0.000 1.151 140 Y CA -0.635 57.522 58.100 0.095 0.000 1.195 140 Y CB 1.255 39.734 38.460 0.031 0.000 1.210 140 Y HN 0.365 nan 8.280 nan 0.000 0.483 141 V N 5.675 125.746 119.914 0.261 0.000 2.313 141 V HA 0.312 4.424 4.120 -0.014 0.000 0.278 141 V C -0.234 175.991 176.094 0.218 0.000 1.017 141 V CA -0.724 61.692 62.300 0.193 0.000 0.823 141 V CB 0.532 32.427 31.823 0.119 0.000 1.010 141 V HN 0.574 nan 8.190 nan 0.000 0.443 142 I N 7.859 128.572 120.570 0.239 0.000 2.330 142 I HA 0.374 4.535 4.170 -0.014 0.000 0.286 142 I C -2.535 173.771 176.117 0.316 0.000 1.025 142 I CA -1.871 59.575 61.300 0.242 0.000 1.197 142 I CB 1.938 40.059 38.000 0.201 0.000 1.358 142 I HN 0.405 nan 8.210 nan 0.000 0.467 143 P HA 0.366 nan 4.420 nan 0.000 0.297 143 P C -1.100 176.330 177.300 0.217 0.000 1.319 143 P CA -0.319 62.866 63.100 0.141 0.000 0.810 143 P CB 0.583 32.302 31.700 0.032 0.000 0.947 144 F N -0.303 119.681 119.950 0.057 0.000 2.601 144 F HA 0.770 5.289 4.527 -0.014 0.000 0.309 144 F C -0.751 175.083 175.800 0.057 0.000 1.089 144 F CA -1.304 56.718 58.000 0.038 0.000 0.940 144 F CB 1.414 40.431 39.000 0.029 0.000 1.273 144 F HN 0.160 nan 8.300 nan 0.000 0.450 145 S N 3.623 119.401 115.700 0.130 0.000 2.454 145 S HA 0.671 5.133 4.470 -0.014 0.000 0.306 145 S C -0.695 173.932 174.600 0.045 0.000 1.100 145 S CA -0.767 57.450 58.200 0.029 0.000 1.087 145 S CB 0.673 63.869 63.200 -0.006 0.000 1.019 145 S HN 0.613 nan 8.310 nan 0.000 0.480 146 M N 4.222 123.789 119.600 -0.054 0.000 2.063 146 M HA 0.498 4.970 4.480 -0.014 0.000 0.348 146 M C 0.676 176.782 176.300 -0.324 0.000 1.180 146 M CA 0.085 55.213 55.300 -0.286 0.000 1.059 146 M CB -0.307 31.945 32.600 -0.580 0.000 1.544 146 M HN 1.037 nan 8.290 nan 0.000 0.447 147 G N 5.596 114.205 108.800 -0.318 0.000 2.587 147 G HA2 -0.023 3.929 3.960 -0.014 0.000 0.686 147 G HA3 -0.023 3.929 3.960 -0.014 0.000 0.686 147 G C -3.342 171.445 174.900 -0.188 0.000 1.236 147 G CA -1.433 43.516 45.100 -0.253 0.000 0.820 147 G HN 0.385 nan 8.290 nan 0.000 0.645 148 P HA 0.163 nan 4.420 nan 0.000 0.264 148 P C 1.408 178.622 177.300 -0.142 0.000 1.183 148 P CA -0.407 62.560 63.100 -0.222 0.000 0.763 148 P CB 0.673 32.219 31.700 -0.257 0.000 0.807 149 L N 5.056 126.206 121.223 -0.122 0.000 1.997 149 L HA -0.212 4.120 4.340 -0.014 0.000 0.216 149 L C 2.315 179.144 176.870 -0.068 0.000 1.074 149 L CA 2.836 57.629 54.840 -0.078 0.000 0.763 149 L CB -1.640 40.380 42.059 -0.067 0.000 0.890 149 L HN 0.561 nan 8.230 nan 0.000 0.434 150 G N -1.858 106.895 108.800 -0.079 0.000 2.446 150 G HA2 -0.278 3.674 3.960 -0.014 0.000 0.217 150 G HA3 -0.278 3.674 3.960 -0.014 0.000 0.217 150 G C 0.959 175.820 174.900 -0.065 0.000 1.168 150 G CA 0.732 45.792 45.100 -0.067 0.000 0.771 150 G HN 0.496 nan 8.290 nan 0.000 0.551 151 S N 1.206 116.857 115.700 -0.082 0.000 2.599 151 S HA 0.078 4.540 4.470 -0.014 0.000 0.303 151 S C -0.826 173.734 174.600 -0.068 0.000 1.267 151 S CA -0.468 57.683 58.200 -0.082 0.000 1.055 151 S CB 0.990 64.132 63.200 -0.096 0.000 0.790 151 S HN 0.029 nan 8.310 nan 0.000 0.500 152 P HA -0.007 nan 4.420 nan 0.000 0.222 152 P C 0.855 178.085 177.300 -0.116 0.000 1.147 152 P CA 0.976 64.026 63.100 -0.082 0.000 0.790 152 P CB 0.091 31.741 31.700 -0.083 0.000 0.780 153 L N -2.335 118.819 121.223 -0.115 0.000 2.567 153 L HA 0.185 4.516 4.340 -0.014 0.000 0.225 153 L C 1.184 178.057 176.870 0.005 0.000 1.119 153 L CA -0.434 54.313 54.840 -0.155 0.000 0.871 153 L CB -0.466 41.523 42.059 -0.118 0.000 1.036 153 L HN -0.114 nan 8.230 nan 0.000 0.459 154 A N 0.799 123.635 122.820 0.027 0.000 2.332 154 A HA 0.488 4.800 4.320 -0.014 0.000 0.258 154 A C -0.064 177.634 177.584 0.190 0.000 1.087 154 A CA 0.020 52.125 52.037 0.115 0.000 0.802 154 A CB 0.465 19.467 19.000 0.003 0.000 1.042 154 A HN 0.186 nan 8.150 nan 0.000 0.489 155 K N 0.437 121.031 120.400 0.322 0.000 2.502 155 K HA 0.592 4.904 4.320 -0.014 0.000 0.257 155 K C -1.484 175.311 176.600 0.325 0.000 0.938 155 K CA -0.388 56.114 56.287 0.359 0.000 0.819 155 K CB 2.311 35.177 32.500 0.609 0.000 1.333 155 K HN 0.623 nan 8.250 nan 0.000 0.434 156 I N 1.051 121.763 120.570 0.236 0.000 2.460 156 I HA 0.462 4.624 4.170 -0.014 0.000 0.298 156 I C 0.388 176.520 176.117 0.026 0.000 0.989 156 I CA -0.422 60.915 61.300 0.062 0.000 1.173 156 I CB 1.949 39.954 38.000 0.008 0.000 1.338 156 I HN 0.708 nan 8.210 nan 0.000 0.456 157 G N 5.892 114.413 108.800 -0.465 0.000 2.630 157 G HA2 0.734 4.686 3.960 -0.014 0.000 0.296 157 G HA3 0.734 4.686 3.960 -0.014 0.000 0.296 157 G C -1.160 173.426 174.900 -0.524 0.000 1.285 157 G CA -0.425 44.343 45.100 -0.552 0.000 0.958 157 G HN 0.316 nan 8.290 nan 0.000 0.479 158 I N 0.760 121.329 120.570 -0.002 0.000 2.447 158 I HA 0.348 4.510 4.170 -0.014 0.000 0.287 158 I C -0.527 175.923 176.117 0.555 0.000 1.023 158 I CA -0.598 60.832 61.300 0.217 0.000 1.083 158 I CB 1.667 39.713 38.000 0.077 0.000 1.245 158 I HN 0.648 nan 8.210 nan 0.000 0.434 159 E N 7.283 127.861 120.200 0.630 0.000 2.133 159 E HA 0.551 4.893 4.350 -0.014 0.000 0.274 159 E C -1.444 175.374 176.600 0.364 0.000 0.930 159 E CA -0.597 56.111 56.400 0.514 0.000 0.770 159 E CB 1.438 31.360 29.700 0.369 0.000 1.104 159 E HN 0.505 nan 8.360 nan 0.000 0.403 160 L N 3.795 125.213 121.223 0.325 0.000 2.289 160 L HA 0.510 4.842 4.340 -0.014 0.000 0.285 160 L C 0.205 177.220 176.870 0.242 0.000 1.049 160 L CA -0.488 54.466 54.840 0.190 0.000 0.804 160 L CB 1.697 43.758 42.059 0.003 0.000 1.195 160 L HN 0.543 nan 8.230 nan 0.000 0.428 161 T N -0.561 114.141 114.554 0.248 0.000 2.889 161 T HA 0.244 4.586 4.350 -0.014 0.000 0.315 161 T C -0.554 174.315 174.700 0.281 0.000 1.291 161 T CA -0.648 61.634 62.100 0.302 0.000 1.028 161 T CB 1.530 70.606 68.868 0.347 0.000 1.235 161 T HN 0.728 nan 8.240 nan 0.000 0.491 162 D N 1.298 121.813 120.400 0.191 0.000 2.342 162 D HA 0.224 4.855 4.640 -0.014 0.000 0.221 162 D C 0.357 176.774 176.300 0.196 0.000 1.101 162 D CA -0.185 53.922 54.000 0.177 0.000 0.837 162 D CB 0.251 41.069 40.800 0.030 0.000 0.938 162 D HN 0.242 nan 8.370 nan 0.000 0.508 163 S N 1.164 116.974 115.700 0.184 0.000 2.474 163 S HA 0.354 4.816 4.470 -0.014 0.000 0.321 163 S C -1.773 172.773 174.600 -0.090 0.000 1.080 163 S CA -1.542 56.691 58.200 0.054 0.000 1.106 163 S CB 1.549 64.793 63.200 0.073 0.000 0.984 163 S HN -0.181 nan 8.310 nan 0.000 0.464 164 P HA -0.119 nan 4.420 nan 0.000 0.220 164 P C 1.083 178.257 177.300 -0.209 0.000 1.148 164 P CA 0.860 63.724 63.100 -0.393 0.000 0.803 164 P CB -0.120 31.436 31.700 -0.241 0.000 0.782 165 Y N 1.056 121.236 120.300 -0.200 0.000 2.224 165 Y HA -0.167 4.375 4.550 -0.014 0.000 0.289 165 Y C 2.123 177.944 175.900 -0.131 0.000 1.146 165 Y CA 1.250 59.277 58.100 -0.122 0.000 1.182 165 Y CB -0.930 37.491 38.460 -0.066 0.000 0.983 165 Y HN -0.303 nan 8.280 nan 0.000 0.524 166 V N -0.714 119.184 119.914 -0.027 0.000 2.343 166 V HA -0.303 3.808 4.120 -0.014 0.000 0.247 166 V C 2.355 178.303 176.094 -0.243 0.000 1.051 166 V CA 1.672 63.873 62.300 -0.164 0.000 1.036 166 V CB -0.796 30.956 31.823 -0.118 0.000 0.654 166 V HN 0.372 nan 8.190 nan 0.000 0.451 167 V N 0.424 120.190 119.914 -0.247 0.000 2.255 167 V HA -0.304 3.808 4.120 -0.014 0.000 0.247 167 V C 2.745 178.712 176.094 -0.212 0.000 1.051 167 V CA 2.220 64.368 62.300 -0.254 0.000 1.018 167 V CB -1.274 30.297 31.823 -0.420 0.000 0.641 167 V HN 0.565 nan 8.190 nan 0.000 0.445 168 A N -0.432 122.269 122.820 -0.198 0.000 1.883 168 A HA -0.244 4.067 4.320 -0.014 0.000 0.217 168 A C 2.471 179.955 177.584 -0.166 0.000 1.186 168 A CA 2.550 54.548 52.037 -0.064 0.000 0.624 168 A CB -0.780 18.180 19.000 -0.066 0.000 0.822 168 A HN 0.519 nan 8.150 nan 0.000 0.444 169 S N -0.740 114.762 115.700 -0.329 0.000 2.406 169 S HA -0.049 4.412 4.470 -0.014 0.000 0.228 169 S C 1.958 176.370 174.600 -0.314 0.000 1.020 169 S CA 1.300 59.284 58.200 -0.360 0.000 0.965 169 S CB -0.246 62.618 63.200 -0.560 0.000 0.798 169 S HN 0.463 nan 8.310 nan 0.000 0.488 170 M N 1.057 120.470 119.600 -0.312 0.000 2.229 170 M HA 0.013 4.485 4.480 -0.014 0.000 0.264 170 M C 2.147 178.298 176.300 -0.248 0.000 1.063 170 M CA 1.049 56.163 55.300 -0.309 0.000 1.114 170 M CB -0.962 31.448 32.600 -0.317 0.000 1.387 170 M HN 0.268 nan 8.290 nan 0.000 0.420 171 R N 0.484 120.842 120.500 -0.236 0.000 2.096 171 R HA -0.104 4.228 4.340 -0.014 0.000 0.235 171 R C 1.953 178.097 176.300 -0.260 0.000 1.127 171 R CA 1.247 57.192 56.100 -0.258 0.000 0.968 171 R CB -0.094 29.965 30.300 -0.402 0.000 0.861 171 R HN 0.322 nan 8.270 nan 0.000 0.440 172 I N -0.174 120.247 120.570 -0.248 0.000 2.277 172 I HA -0.186 3.976 4.170 -0.014 0.000 0.243 172 I C 1.854 177.865 176.117 -0.175 0.000 1.094 172 I CA 0.728 61.913 61.300 -0.192 0.000 1.393 172 I CB -0.003 37.916 38.000 -0.135 0.000 1.078 172 I HN 0.150 nan 8.210 nan 0.000 0.417 173 M N 0.257 119.737 119.600 -0.200 0.000 2.556 173 M HA 0.118 4.590 4.480 -0.014 0.000 0.245 173 M C 0.800 176.986 176.300 -0.190 0.000 1.128 173 M CA 0.578 55.757 55.300 -0.201 0.000 1.069 173 M CB -0.950 31.497 32.600 -0.254 0.000 1.469 173 M HN 0.322 nan 8.290 nan 0.000 0.494 174 T N -1.724 112.727 114.554 -0.171 0.000 2.812 174 T HA 0.664 5.005 4.350 -0.014 0.000 0.294 174 T C -0.548 174.118 174.700 -0.057 0.000 1.159 174 T CA -0.998 61.038 62.100 -0.108 0.000 1.008 174 T CB 2.139 70.942 68.868 -0.107 0.000 1.289 174 T HN 0.031 nan 8.240 nan 0.000 0.514 175 R N 0.988 121.485 120.500 -0.006 0.000 2.202 175 R HA 0.615 4.946 4.340 -0.014 0.000 0.334 175 R C -0.242 176.087 176.300 0.048 0.000 1.036 175 R CA -0.438 55.659 56.100 -0.005 0.000 0.878 175 R CB 0.853 31.138 30.300 -0.024 0.000 1.067 175 R HN 0.569 nan 8.270 nan 0.000 0.457 176 M N 2.248 121.859 119.600 0.019 0.000 2.395 176 M HA 0.630 5.102 4.480 -0.014 0.000 0.307 176 M C -0.218 176.102 176.300 0.033 0.000 1.091 176 M CA -0.057 55.276 55.300 0.056 0.000 0.919 176 M CB 1.936 34.538 32.600 0.003 0.000 1.662 176 M HN 0.742 nan 8.290 nan 0.000 0.440 177 G N 2.367 111.200 108.800 0.055 0.000 2.270 177 G HA2 -0.120 3.832 3.960 -0.014 0.000 0.268 177 G HA3 -0.120 3.832 3.960 -0.014 0.000 0.268 177 G C 0.038 174.956 174.900 0.030 0.000 1.312 177 G CA -0.020 45.106 45.100 0.044 0.000 1.050 177 G HN 0.553 nan 8.290 nan 0.000 0.474 178 T N 1.183 115.750 114.554 0.021 0.000 2.759 178 T HA -0.114 4.228 4.350 -0.014 0.000 0.269 178 T C 2.868 177.569 174.700 0.001 0.000 1.042 178 T CA 3.154 65.260 62.100 0.009 0.000 1.140 178 T CB -0.620 68.253 68.868 0.007 0.000 0.864 178 T HN 1.458 nan 8.240 nan 0.000 0.455 179 S N 1.291 116.991 115.700 -0.000 0.000 2.419 179 S HA -0.097 4.365 4.470 -0.014 0.000 0.235 179 S C 2.114 176.707 174.600 -0.011 0.000 1.019 179 S CA 0.933 59.128 58.200 -0.008 0.000 0.982 179 S CB -0.886 62.307 63.200 -0.011 0.000 0.789 179 S HN 0.337 nan 8.310 nan 0.000 0.490 180 V N 1.968 121.879 119.914 -0.006 0.000 2.379 180 V HA -0.049 4.063 4.120 -0.014 0.000 0.245 180 V C 2.534 178.613 176.094 -0.026 0.000 1.044 180 V CA 1.499 63.792 62.300 -0.012 0.000 1.036 180 V CB -0.852 30.973 31.823 0.003 0.000 0.664 180 V HN 0.435 nan 8.190 nan 0.000 0.453 181 L N -0.177 121.031 121.223 -0.026 0.000 2.042 181 L HA -0.237 4.094 4.340 -0.014 0.000 0.210 181 L C 2.622 179.474 176.870 -0.029 0.000 1.076 181 L CA 1.862 56.678 54.840 -0.041 0.000 0.749 181 L CB -0.603 41.437 42.059 -0.033 0.000 0.893 181 L HN 0.400 nan 8.230 nan 0.000 0.432 182 E N -0.144 120.044 120.200 -0.019 0.000 2.077 182 E HA -0.219 4.122 4.350 -0.014 0.000 0.193 182 E C 2.274 178.865 176.600 -0.014 0.000 0.989 182 E CA 1.152 57.543 56.400 -0.014 0.000 0.800 182 E CB -0.179 29.514 29.700 -0.011 0.000 0.746 182 E HN 0.517 nan 8.360 nan 0.000 0.452 183 A N 1.090 123.900 122.820 -0.016 0.000 1.930 183 A HA -0.137 4.175 4.320 -0.014 0.000 0.217 183 A C 2.146 179.725 177.584 -0.009 0.000 1.175 183 A CA 0.853 52.882 52.037 -0.014 0.000 0.627 183 A CB -0.432 18.557 19.000 -0.018 0.000 0.815 183 A HN 0.221 nan 8.150 nan 0.000 0.443 184 L N -0.478 120.737 121.223 -0.013 0.000 2.017 184 L HA 0.123 4.455 4.340 -0.014 0.000 0.208 184 L C 1.818 178.693 176.870 0.009 0.000 1.073 184 L CA 1.949 56.787 54.840 -0.004 0.000 0.745 184 L CB -1.219 40.820 42.059 -0.035 0.000 0.894 184 L HN 0.669 nan 8.230 nan 0.000 0.432 185 G N -0.557 108.243 108.800 -0.001 0.000 2.684 185 G HA2 -0.435 3.517 3.960 -0.014 0.000 0.332 185 G HA3 -0.435 3.517 3.960 -0.014 0.000 0.332 185 G C 0.574 175.490 174.900 0.027 0.000 1.306 185 G CA 0.620 45.724 45.100 0.008 0.000 1.002 185 G HN 0.430 nan 8.290 nan 0.000 0.545 186 D N 2.368 122.788 120.400 0.034 0.000 2.370 186 D HA 0.351 4.982 4.640 -0.014 0.000 0.230 186 D C 1.395 177.735 176.300 0.067 0.000 1.143 186 D CA 0.877 54.910 54.000 0.054 0.000 0.834 186 D CB -0.406 40.417 40.800 0.038 0.000 0.944 186 D HN 0.647 nan 8.370 nan 0.000 0.504 187 G N 0.192 109.034 108.800 0.071 0.000 2.651 187 G HA2 0.126 4.078 3.960 -0.014 0.000 0.260 187 G HA3 0.126 4.078 3.960 -0.014 0.000 0.260 187 G C 0.204 175.174 174.900 0.116 0.000 1.216 187 G CA -0.477 44.665 45.100 0.070 0.000 0.913 187 G HN 0.027 nan 8.290 nan 0.000 0.535 188 E N -0.920 119.310 120.200 0.049 0.000 2.349 188 E HA 0.454 4.796 4.350 -0.014 0.000 0.265 188 E C -0.818 175.814 176.600 0.053 0.000 1.064 188 E CA 0.050 56.432 56.400 -0.030 0.000 0.886 188 E CB 1.158 30.796 29.700 -0.102 0.000 1.036 188 E HN 0.391 nan 8.360 nan 0.000 0.413 189 F N -0.645 119.225 119.950 -0.134 0.000 2.631 189 F HA 0.478 4.997 4.527 -0.014 0.000 0.308 189 F C -1.053 174.584 175.800 -0.272 0.000 1.097 189 F CA -1.474 56.420 58.000 -0.176 0.000 0.952 189 F CB 0.655 39.556 39.000 -0.165 0.000 1.307 189 F HN 0.109 nan 8.300 nan 0.000 0.450 190 I N 2.619 123.056 120.570 -0.222 0.000 2.416 190 I HA 0.207 4.369 4.170 -0.014 0.000 0.288 190 I C -0.017 175.978 176.117 -0.202 0.000 1.051 190 I CA -0.445 60.613 61.300 -0.402 0.000 1.375 190 I CB 1.050 38.548 38.000 -0.836 0.000 1.407 190 I HN 0.672 nan 8.210 nan 0.000 0.516 191 K N 5.420 125.604 120.400 -0.360 0.000 2.285 191 K HA 0.363 4.675 4.320 -0.014 0.000 0.286 191 K C -1.020 175.556 176.600 -0.040 0.000 1.072 191 K CA -0.237 55.755 56.287 -0.491 0.000 0.913 191 K CB 0.684 32.697 32.500 -0.811 0.000 1.067 191 K HN 0.568 nan 8.250 nan 0.000 0.479 192 C N 4.512 123.991 119.300 0.297 0.000 2.322 192 C HA 0.439 4.890 4.460 -0.014 0.000 0.324 192 C C -0.800 174.503 174.990 0.522 0.000 1.249 192 C CA -1.086 58.169 59.018 0.396 0.000 1.453 192 C CB -0.014 27.996 27.740 0.451 0.000 2.145 192 C HN 0.668 nan 8.230 nan 0.000 0.466 193 L N 4.727 126.196 121.223 0.410 0.000 2.333 193 L HA 0.612 4.943 4.340 -0.014 0.000 0.280 193 L C -0.524 176.594 176.870 0.413 0.000 1.004 193 L CA 0.193 55.248 54.840 0.357 0.000 0.820 193 L CB 0.646 42.840 42.059 0.225 0.000 1.247 193 L HN 0.829 nan 8.230 nan 0.000 0.416 194 H N 3.360 122.614 119.070 0.306 0.000 2.679 194 H HA 0.632 5.180 4.556 -0.014 0.000 0.360 194 H C -1.827 173.656 175.328 0.258 0.000 1.105 194 H CA -0.401 55.824 56.048 0.295 0.000 1.196 194 H CB 2.067 31.938 29.762 0.181 0.000 1.636 194 H HN 0.657 nan 8.280 nan 0.000 0.531 195 S N 3.399 118.790 115.700 -0.516 0.000 2.548 195 S HA 0.191 4.652 4.470 -0.014 0.000 0.276 195 S C 1.085 175.107 174.600 -0.963 0.000 1.129 195 S CA -0.273 57.544 58.200 -0.638 0.000 0.931 195 S CB 1.182 64.180 63.200 -0.336 0.000 1.068 195 S HN 0.566 nan 8.310 nan 0.000 0.480 196 V N 2.270 121.768 119.914 -0.693 0.000 3.078 196 V HA 0.283 4.395 4.120 -0.014 0.000 0.265 196 V C 1.495 177.177 176.094 -0.688 0.000 1.122 196 V CA 1.191 63.168 62.300 -0.539 0.000 1.141 196 V CB -1.556 30.054 31.823 -0.355 0.000 0.735 196 V HN 1.848 nan 8.190 nan 0.000 0.498 197 G N -0.641 107.632 108.800 -0.878 0.000 2.198 197 G HA2 -0.248 3.704 3.960 -0.014 0.000 0.257 197 G HA3 -0.248 3.704 3.960 -0.014 0.000 0.257 197 G C 0.003 174.689 174.900 -0.357 0.000 1.042 197 G CA 0.045 44.565 45.100 -0.967 0.000 0.791 197 G HN 0.854 nan 8.290 nan 0.000 0.502 198 C N 1.966 121.110 119.300 -0.259 0.000 3.273 198 C HA 0.412 4.863 4.460 -0.014 0.000 0.227 198 C C -1.312 173.618 174.990 -0.100 0.000 1.409 198 C CA -1.498 57.434 59.018 -0.143 0.000 1.516 198 C CB 0.312 27.968 27.740 -0.140 0.000 1.853 198 C HN 0.532 nan 8.230 nan 0.000 0.472 199 P HA 0.099 nan 4.420 nan 0.000 0.267 199 P C -0.610 176.666 177.300 -0.041 0.000 1.200 199 P CA 0.600 63.670 63.100 -0.051 0.000 0.772 199 P CB 0.929 32.608 31.700 -0.035 0.000 0.855 200 L N 4.267 125.469 121.223 -0.035 0.000 2.334 200 L HA 0.400 4.732 4.340 -0.014 0.000 0.277 200 L C -1.527 175.328 176.870 -0.024 0.000 1.075 200 L CA -2.151 52.673 54.840 -0.027 0.000 0.804 200 L CB 0.510 42.556 42.059 -0.022 0.000 1.174 200 L HN 0.288 nan 8.230 nan 0.000 0.438 201 P HA 0.156 nan 4.420 nan 0.000 0.275 201 P C -0.606 176.684 177.300 -0.017 0.000 1.227 201 P CA -0.467 62.623 63.100 -0.015 0.000 0.781 201 P CB 0.871 32.564 31.700 -0.012 0.000 0.906 202 L N 3.159 124.372 121.223 -0.016 0.000 2.540 202 L HA -0.024 4.308 4.340 -0.014 0.000 0.276 202 L C 1.758 178.620 176.870 -0.012 0.000 1.212 202 L CA 0.435 55.264 54.840 -0.017 0.000 0.893 202 L CB -0.090 41.960 42.059 -0.015 0.000 1.138 202 L HN 0.443 nan 8.230 nan 0.000 0.491 203 K N 2.200 122.592 120.400 -0.013 0.000 2.262 203 K HA 0.101 4.413 4.320 -0.014 0.000 0.200 203 K C 0.058 176.655 176.600 -0.004 0.000 1.049 203 K CA 0.728 57.010 56.287 -0.008 0.000 0.979 203 K CB 0.321 32.816 32.500 -0.009 0.000 0.773 203 K HN 0.482 nan 8.250 nan 0.000 0.474 204 K N 0.709 121.106 120.400 -0.005 0.000 2.395 204 K HA 0.350 4.661 4.320 -0.014 0.000 0.247 204 K C -2.767 173.834 176.600 0.003 0.000 0.973 204 K CA -2.203 54.084 56.287 0.001 0.000 0.828 204 K CB 1.522 34.025 32.500 0.004 0.000 1.272 204 K HN -0.253 nan 8.250 nan 0.000 0.439 205 P HA 0.056 nan 4.420 nan 0.000 0.271 205 P C -1.186 176.124 177.300 0.017 0.000 1.218 205 P CA -0.574 62.533 63.100 0.011 0.000 0.780 205 P CB 0.396 32.104 31.700 0.014 0.000 0.901 206 L N 4.064 125.299 121.223 0.019 0.000 2.265 206 L HA 0.268 4.599 4.340 -0.014 0.000 0.288 206 L C -0.811 176.087 176.870 0.046 0.000 1.058 206 L CA -0.274 54.583 54.840 0.029 0.000 0.809 206 L CB 0.820 42.890 42.059 0.019 0.000 1.179 206 L HN 0.060 nan 8.230 nan 0.000 0.429 207 V N 6.212 126.169 119.914 0.071 0.000 2.383 207 V HA 0.339 4.451 4.120 -0.014 0.000 0.275 207 V C 0.225 176.383 176.094 0.107 0.000 1.036 207 V CA -0.726 61.617 62.300 0.071 0.000 0.889 207 V CB 0.965 32.824 31.823 0.061 0.000 0.985 207 V HN 0.917 nan 8.190 nan 0.000 0.459 208 N N 4.454 123.199 118.700 0.074 0.000 2.721 208 N HA -0.213 4.519 4.740 -0.014 0.000 0.249 208 N C 0.510 176.111 175.510 0.152 0.000 1.072 208 N CA 0.970 54.073 53.050 0.089 0.000 0.710 208 N CB -1.176 37.348 38.487 0.062 0.000 0.993 208 N HN 0.900 nan 8.380 nan 0.000 0.547 209 N N -2.135 116.638 118.700 0.121 0.000 2.708 209 N HA -0.222 4.509 4.740 -0.014 0.000 0.249 209 N C -0.789 174.820 175.510 0.164 0.000 1.097 209 N CA 1.210 54.325 53.050 0.109 0.000 0.710 209 N CB -1.056 37.485 38.487 0.090 0.000 1.032 209 N HN 0.642 nan 8.380 nan 0.000 0.551 210 W N 1.095 122.385 121.300 -0.015 0.000 2.363 210 W HA 0.592 5.244 4.660 -0.014 0.000 0.314 210 W C -0.390 176.111 176.519 -0.029 0.000 0.994 210 W CA -0.825 56.503 57.345 -0.029 0.000 1.449 210 W CB 0.578 30.026 29.460 -0.019 0.000 1.248 210 W HN 0.095 nan 8.180 nan 0.000 0.409 211 A N 5.101 127.696 122.820 -0.376 0.000 2.450 211 A HA 0.531 4.843 4.320 -0.014 0.000 0.255 211 A C -0.055 177.312 177.584 -0.362 0.000 1.096 211 A CA 0.541 52.403 52.037 -0.291 0.000 0.778 211 A CB -0.190 18.645 19.000 -0.274 0.000 1.031 211 A HN 0.899 nan 8.150 nan 0.000 0.494 212 C N 0.414 119.625 119.300 -0.147 0.000 3.292 212 C HA 0.739 5.191 4.460 -0.014 0.000 0.338 212 C C -0.802 174.150 174.990 -0.064 0.000 1.323 212 C CA -1.011 57.961 59.018 -0.076 0.000 1.232 212 C CB 0.745 28.582 27.740 0.161 0.000 1.517 212 C HN 0.931 nan 8.230 nan 0.000 0.470 213 N N 0.925 119.581 118.700 -0.072 0.000 2.707 213 N HA 0.428 5.160 4.740 -0.014 0.000 0.249 213 N C -2.278 173.254 175.510 0.037 0.000 1.299 213 N CA -1.242 51.789 53.050 -0.031 0.000 0.769 213 N CB 1.556 39.992 38.487 -0.085 0.000 1.236 213 N HN 0.513 nan 8.380 nan 0.000 0.524 214 P HA -0.098 nan 4.420 nan 0.000 0.216 214 P C 0.551 177.898 177.300 0.079 0.000 1.153 214 P CA 1.164 64.309 63.100 0.075 0.000 0.848 214 P CB 0.352 32.094 31.700 0.069 0.000 0.787 215 E N -0.826 119.415 120.200 0.069 0.000 2.209 215 E HA -0.092 4.249 4.350 -0.014 0.000 0.196 215 E C 1.444 178.092 176.600 0.080 0.000 0.993 215 E CA 0.903 57.341 56.400 0.064 0.000 0.819 215 E CB -0.637 29.092 29.700 0.048 0.000 0.745 215 E HN 0.264 nan 8.360 nan 0.000 0.477 216 L N 0.249 121.543 121.223 0.118 0.000 2.728 216 L HA 0.174 4.506 4.340 -0.014 0.000 0.238 216 L C 0.140 177.158 176.870 0.247 0.000 1.143 216 L CA -0.242 54.692 54.840 0.157 0.000 0.937 216 L CB 0.366 42.547 42.059 0.202 0.000 1.225 216 L HN -0.082 nan 8.230 nan 0.000 0.507 217 T N 2.308 116.981 114.554 0.197 0.000 2.902 217 T HA 0.269 4.610 4.350 -0.014 0.000 0.301 217 T C -0.435 174.396 174.700 0.219 0.000 1.012 217 T CA 0.575 62.802 62.100 0.212 0.000 1.151 217 T CB 0.875 69.835 68.868 0.153 0.000 0.946 217 T HN -0.013 nan 8.240 nan 0.000 0.542 218 L N 4.940 126.328 121.223 0.274 0.000 2.588 218 L HA 0.576 4.908 4.340 -0.014 0.000 0.263 218 L C -1.887 175.168 176.870 0.308 0.000 0.935 218 L CA -0.427 54.575 54.840 0.269 0.000 0.891 218 L CB 1.537 43.763 42.059 0.277 0.000 1.318 218 L HN 0.515 nan 8.230 nan 0.000 0.409 219 I N 5.087 125.806 120.570 0.249 0.000 2.420 219 I HA 0.798 4.959 4.170 -0.014 0.000 0.282 219 I C 0.049 176.232 176.117 0.110 0.000 1.019 219 I CA -0.056 61.365 61.300 0.201 0.000 1.130 219 I CB 1.675 39.803 38.000 0.213 0.000 1.262 219 I HN 0.732 nan 8.210 nan 0.000 0.454 220 A N 4.987 127.803 122.820 -0.008 0.000 2.355 220 A HA 0.896 5.207 4.320 -0.014 0.000 0.324 220 A C -1.158 176.158 177.584 -0.446 0.000 1.117 220 A CA -0.509 51.442 52.037 -0.143 0.000 0.785 220 A CB 0.598 19.460 19.000 -0.229 0.000 1.254 220 A HN 0.693 nan 8.150 nan 0.000 0.453 221 H N 0.313 119.309 119.070 -0.123 0.000 2.667 221 H HA 0.577 5.124 4.556 -0.014 0.000 0.353 221 H C -1.368 173.861 175.328 -0.164 0.000 1.072 221 H CA -0.456 55.542 56.048 -0.083 0.000 1.214 221 H CB 1.399 31.169 29.762 0.014 0.000 1.600 221 H HN 0.390 nan 8.280 nan 0.000 0.527 222 L N 5.148 126.325 121.223 -0.076 0.000 2.445 222 L HA 0.296 4.627 4.340 -0.014 0.000 0.252 222 L C -1.727 175.105 176.870 -0.064 0.000 1.105 222 L CA -1.190 53.577 54.840 -0.122 0.000 0.943 222 L CB 1.412 43.341 42.059 -0.217 0.000 1.277 222 L HN 0.536 nan 8.230 nan 0.000 0.465 223 P HA -0.139 nan 4.420 nan 0.000 0.218 223 P C 0.441 177.705 177.300 -0.060 0.000 1.149 223 P CA 1.191 64.275 63.100 -0.026 0.000 0.817 223 P CB 0.427 32.133 31.700 0.009 0.000 0.785 224 D N -0.555 119.815 120.400 -0.051 0.000 2.363 224 D HA 0.001 4.632 4.640 -0.014 0.000 0.226 224 D C 1.605 177.855 176.300 -0.082 0.000 1.020 224 D CA 0.505 54.470 54.000 -0.060 0.000 0.892 224 D CB 0.066 40.845 40.800 -0.035 0.000 0.900 224 D HN 0.307 nan 8.370 nan 0.000 0.531 225 R N -0.070 120.370 120.500 -0.101 0.000 2.476 225 R HA 0.238 4.570 4.340 -0.014 0.000 0.276 225 R C 0.069 176.267 176.300 -0.170 0.000 0.941 225 R CA -0.338 55.686 56.100 -0.126 0.000 1.088 225 R CB 0.877 31.105 30.300 -0.120 0.000 1.216 225 R HN -0.090 nan 8.270 nan 0.000 0.533 226 R N 1.576 121.978 120.500 -0.165 0.000 3.333 226 R HA -0.195 4.137 4.340 -0.014 0.000 0.256 226 R C -1.053 175.110 176.300 -0.228 0.000 1.010 226 R CA 0.906 56.880 56.100 -0.210 0.000 0.680 226 R CB -1.658 28.476 30.300 -0.277 0.000 1.102 226 R HN 0.379 nan 8.270 nan 0.000 0.440 227 E N 0.111 120.216 120.200 -0.159 0.000 2.288 227 E HA 0.559 4.900 4.350 -0.014 0.000 0.268 227 E C -0.395 176.161 176.600 -0.073 0.000 0.885 227 E CA -0.914 55.410 56.400 -0.126 0.000 0.767 227 E CB 1.985 31.618 29.700 -0.111 0.000 1.220 227 E HN 0.101 nan 8.360 nan 0.000 0.427 228 I N 3.171 123.730 120.570 -0.017 0.000 2.465 228 I HA 0.439 4.601 4.170 -0.014 0.000 0.291 228 I C -0.735 175.417 176.117 0.060 0.000 1.014 228 I CA -0.558 60.731 61.300 -0.018 0.000 1.093 228 I CB 1.406 39.443 38.000 0.063 0.000 1.267 228 I HN 0.336 nan 8.210 nan 0.000 0.431 229 I N 4.844 125.440 120.570 0.044 0.000 2.497 229 I HA 0.292 4.453 4.170 -0.014 0.000 0.284 229 I C -0.591 175.739 176.117 0.355 0.000 1.060 229 I CA -0.216 61.214 61.300 0.216 0.000 1.071 229 I CB 1.956 40.115 38.000 0.265 0.000 1.216 229 I HN 0.436 nan 8.210 nan 0.000 0.442 230 S N 6.615 122.609 115.700 0.490 0.000 2.532 230 S HA 0.721 5.183 4.470 -0.014 0.000 0.299 230 S C -1.389 173.562 174.600 0.585 0.000 1.105 230 S CA -0.370 58.126 58.200 0.494 0.000 1.018 230 S CB 1.150 64.597 63.200 0.413 0.000 1.021 230 S HN 0.410 nan 8.310 nan 0.000 0.483 231 F N 3.364 123.469 119.950 0.257 0.000 2.569 231 F HA 0.648 5.167 4.527 -0.014 0.000 0.312 231 F C 0.813 176.604 175.800 -0.014 0.000 1.109 231 F CA 0.553 58.532 58.000 -0.035 0.000 0.919 231 F CB 1.721 40.572 39.000 -0.249 0.000 1.211 231 F HN 0.837 nan 8.300 nan 0.000 0.446 232 G N 2.641 111.096 108.800 -0.576 0.000 2.234 232 G HA2 -0.199 3.752 3.960 -0.014 0.000 0.235 232 G HA3 -0.199 3.752 3.960 -0.014 0.000 0.235 232 G C -0.066 174.793 174.900 -0.069 0.000 0.997 232 G CA 0.148 45.039 45.100 -0.347 0.000 0.623 232 G HN 1.042 nan 8.290 nan 0.000 0.514 233 S N -0.007 115.744 115.700 0.084 0.000 2.482 233 S HA 0.626 5.088 4.470 -0.014 0.000 0.303 233 S C 1.169 175.957 174.600 0.314 0.000 1.091 233 S CA 0.759 59.091 58.200 0.220 0.000 1.057 233 S CB 1.502 64.857 63.200 0.259 0.000 1.031 233 S HN 1.335 nan 8.310 nan 0.000 0.485 234 G N 2.543 111.538 108.800 0.325 0.000 3.042 234 G HA2 0.142 4.093 3.960 -0.014 0.000 0.212 234 G HA3 0.142 4.093 3.960 -0.014 0.000 0.212 234 G C -0.268 174.891 174.900 0.433 0.000 1.166 234 G CA 0.027 45.275 45.100 0.247 0.000 0.767 234 G HN 0.674 nan 8.290 nan 0.000 0.546 235 Y N 1.246 121.762 120.300 0.361 0.000 2.328 235 Y HA 0.450 4.992 4.550 -0.014 0.000 0.337 235 Y C 1.314 177.345 175.900 0.218 0.000 1.008 235 Y CA 0.250 58.550 58.100 0.334 0.000 1.129 235 Y CB 1.202 39.796 38.460 0.223 0.000 1.185 235 Y HN 0.368 nan 8.280 nan 0.000 0.476 236 G N 3.724 112.458 108.800 -0.110 0.000 2.684 236 G HA2 -0.421 3.531 3.960 -0.014 0.000 0.332 236 G HA3 -0.421 3.531 3.960 -0.014 0.000 0.332 236 G C 1.287 176.148 174.900 -0.065 0.000 1.306 236 G CA 0.494 45.510 45.100 -0.140 0.000 1.002 236 G HN 1.382 nan 8.290 nan 0.000 0.545 237 G N -0.059 108.818 108.800 0.128 0.000 2.535 237 G HA2 -0.059 3.892 3.960 -0.014 0.000 0.218 237 G HA3 -0.059 3.892 3.960 -0.014 0.000 0.218 237 G C 1.434 176.426 174.900 0.154 0.000 1.122 237 G CA 1.469 46.639 45.100 0.117 0.000 0.769 237 G HN 0.766 nan 8.290 nan 0.000 0.549 238 N N -0.017 118.796 118.700 0.189 0.000 2.376 238 N HA -0.019 4.713 4.740 -0.014 0.000 0.177 238 N C 2.135 177.717 175.510 0.120 0.000 1.024 238 N CA 1.149 54.317 53.050 0.196 0.000 0.893 238 N CB 0.171 38.806 38.487 0.247 0.000 0.980 238 N HN 0.439 nan 8.380 nan 0.000 0.439 239 S N -0.356 115.334 115.700 -0.016 0.000 2.619 239 S HA 0.205 4.667 4.470 -0.014 0.000 0.238 239 S C 0.424 174.830 174.600 -0.324 0.000 1.068 239 S CA -0.465 57.542 58.200 -0.321 0.000 0.926 239 S CB 0.045 63.013 63.200 -0.387 0.000 0.864 239 S HN 0.004 nan 8.310 nan 0.000 0.493 240 L N 3.263 124.345 121.223 -0.235 0.000 2.375 240 L HA 0.398 4.730 4.340 -0.014 0.000 0.276 240 L C 0.717 177.477 176.870 -0.183 0.000 1.162 240 L CA -0.267 54.402 54.840 -0.285 0.000 0.991 240 L CB 0.174 41.985 42.059 -0.414 0.000 1.315 240 L HN 0.231 nan 8.230 nan 0.000 0.431 241 L N 1.662 122.811 121.223 -0.122 0.000 2.465 241 L HA -0.019 4.313 4.340 -0.014 0.000 0.224 241 L C 2.333 179.311 176.870 0.179 0.000 1.145 241 L CA 0.747 55.632 54.840 0.075 0.000 0.834 241 L CB -0.311 41.856 42.059 0.180 0.000 0.944 241 L HN 0.758 nan 8.230 nan 0.000 0.451 242 G N -0.011 108.763 108.800 -0.045 0.000 2.484 242 G HA2 -0.193 3.758 3.960 -0.014 0.000 0.218 242 G HA3 -0.193 3.758 3.960 -0.014 0.000 0.218 242 G C 1.607 176.519 174.900 0.020 0.000 1.130 242 G CA 0.272 45.421 45.100 0.081 0.000 0.784 242 G HN 0.266 nan 8.290 nan 0.000 0.543 243 K N 0.103 120.480 120.400 -0.039 0.000 2.005 243 K HA 0.059 4.370 4.320 -0.014 0.000 0.214 243 K C 2.335 178.941 176.600 0.011 0.000 1.030 243 K CA 0.630 56.877 56.287 -0.067 0.000 0.955 243 K CB -0.016 32.403 32.500 -0.136 0.000 0.767 243 K HN -0.103 nan 8.250 nan 0.000 0.446 244 K N 0.420 120.836 120.400 0.026 0.000 2.098 244 K HA 0.009 4.320 4.320 -0.014 0.000 0.203 244 K C 2.363 179.098 176.600 0.225 0.000 1.051 244 K CA 0.889 57.193 56.287 0.028 0.000 0.957 244 K CB -0.617 31.931 32.500 0.080 0.000 0.738 244 K HN 0.322 nan 8.250 nan 0.000 0.447 245 C N 0.914 120.410 119.300 0.327 0.000 2.432 245 C HA -0.063 4.388 4.460 -0.014 0.000 0.277 245 C C 2.561 177.861 174.990 0.517 0.000 1.249 245 C CA 0.342 59.664 59.018 0.507 0.000 1.725 245 C CB -0.822 27.177 27.740 0.432 0.000 2.028 245 C HN 0.364 nan 8.230 nan 0.000 0.477 246 F N 1.968 122.099 119.950 0.301 0.000 2.164 246 F HA 0.291 4.810 4.527 -0.013 0.000 0.287 246 F C 2.271 178.307 175.800 0.392 0.000 1.086 246 F CA 1.296 59.498 58.000 0.337 0.000 1.249 246 F CB -1.087 38.148 39.000 0.391 0.000 1.059 246 F HN 0.101 nan 8.300 nan 0.000 0.490 247 A N -0.019 123.127 122.820 0.542 0.000 2.206 247 A HA 0.147 4.459 4.320 -0.014 0.000 0.211 247 A C 2.029 179.980 177.584 0.611 0.000 1.158 247 A CA 0.949 53.371 52.037 0.643 0.000 0.761 247 A CB -0.569 18.558 19.000 0.212 0.000 0.801 247 A HN 0.477 nan 8.150 nan 0.000 0.473 248 L N -2.313 119.124 121.223 0.357 0.000 2.541 248 L HA 0.147 4.478 4.340 -0.014 0.000 0.187 248 L C 2.647 179.663 176.870 0.244 0.000 1.098 248 L CA 0.167 55.154 54.840 0.245 0.000 0.846 248 L CB -0.385 41.675 42.059 0.002 0.000 1.151 248 L HN 0.194 nan 8.230 nan 0.000 0.492 249 R N 0.234 120.867 120.500 0.221 0.000 2.052 249 R HA 0.007 4.339 4.340 -0.014 0.000 0.226 249 R C 2.179 178.575 176.300 0.160 0.000 1.145 249 R CA 0.970 57.148 56.100 0.129 0.000 0.952 249 R CB -0.122 30.100 30.300 -0.131 0.000 0.847 249 R HN 0.166 nan 8.270 nan 0.000 0.431 250 I N 1.228 121.930 120.570 0.220 0.000 2.179 250 I HA -0.182 3.979 4.170 -0.014 0.000 0.242 250 I C 2.543 178.728 176.117 0.113 0.000 1.088 250 I CA 1.331 62.724 61.300 0.154 0.000 1.357 250 I CB -1.301 36.774 38.000 0.124 0.000 1.051 250 I HN 0.159 nan 8.210 nan 0.000 0.409 251 A N 1.019 123.969 122.820 0.216 0.000 1.930 251 A HA -0.182 4.130 4.320 -0.014 0.000 0.217 251 A C 2.520 179.945 177.584 -0.264 0.000 1.175 251 A CA 2.068 54.118 52.037 0.022 0.000 0.627 251 A CB -0.744 18.349 19.000 0.154 0.000 0.815 251 A HN 0.566 nan 8.150 nan 0.000 0.443 252 S N -0.626 115.071 115.700 -0.004 0.000 2.382 252 S HA -0.155 4.306 4.470 -0.014 0.000 0.228 252 S C 2.077 176.670 174.600 -0.012 0.000 1.027 252 S CA 1.083 59.336 58.200 0.087 0.000 0.991 252 S CB -0.404 63.036 63.200 0.401 0.000 0.823 252 S HN 0.484 nan 8.310 nan 0.000 0.469 253 R N 1.182 121.659 120.500 -0.038 0.000 2.073 253 R HA 0.190 4.522 4.340 -0.014 0.000 0.229 253 R C 2.340 178.370 176.300 -0.451 0.000 1.120 253 R CA 1.137 57.040 56.100 -0.329 0.000 0.967 253 R CB -0.929 29.306 30.300 -0.109 0.000 0.862 253 R HN 0.506 nan 8.270 nan 0.000 0.436 254 L N 0.074 121.084 121.223 -0.354 0.000 2.046 254 L HA -0.153 4.178 4.340 -0.014 0.000 0.208 254 L C 2.664 179.150 176.870 -0.640 0.000 1.077 254 L CA 1.383 56.018 54.840 -0.342 0.000 0.747 254 L CB -0.661 41.316 42.059 -0.138 0.000 0.896 254 L HN 0.162 nan 8.230 nan 0.000 0.432 255 A N 0.502 122.609 122.820 -1.190 0.000 1.908 255 A HA -0.282 4.030 4.320 -0.014 0.000 0.218 255 A C 2.306 179.339 177.584 -0.919 0.000 1.181 255 A CA 2.176 53.162 52.037 -1.752 0.000 0.627 255 A CB -0.451 17.565 19.000 -1.639 0.000 0.818 255 A HN 0.287 nan 8.150 nan 0.000 0.445 256 K N 0.454 120.321 120.400 -0.889 0.000 2.032 256 K HA -0.183 4.129 4.320 -0.014 0.000 0.209 256 K C 1.716 177.919 176.600 -0.662 0.000 1.048 256 K CA 2.272 57.878 56.287 -1.135 0.000 0.927 256 K CB -0.445 31.337 32.500 -1.196 0.000 0.712 256 K HN 0.617 nan 8.250 nan 0.000 0.441 257 E N -0.246 119.657 120.200 -0.494 0.000 2.204 257 E HA -0.128 4.214 4.350 -0.014 0.000 0.194 257 E C 1.277 177.789 176.600 -0.145 0.000 0.989 257 E CA 1.304 57.539 56.400 -0.275 0.000 0.824 257 E CB 0.091 29.654 29.700 -0.229 0.000 0.756 257 E HN 0.486 nan 8.360 nan 0.000 0.477 258 E N -1.166 118.956 120.200 -0.131 0.000 2.526 258 E HA 0.162 4.504 4.350 -0.014 0.000 0.208 258 E C 0.571 177.287 176.600 0.193 0.000 0.997 258 E CA 0.263 56.709 56.400 0.077 0.000 0.961 258 E CB 1.418 31.277 29.700 0.265 0.000 1.030 258 E HN 0.253 nan 8.360 nan 0.000 0.483 259 G N 1.616 110.498 108.800 0.136 0.000 2.131 259 G HA2 -0.162 3.790 3.960 -0.014 0.000 0.201 259 G HA3 -0.162 3.790 3.960 -0.014 0.000 0.201 259 G C -0.228 174.872 174.900 0.334 0.000 1.000 259 G CA 0.136 45.386 45.100 0.251 0.000 0.680 259 G HN 0.225 nan 8.290 nan 0.000 0.514 260 W N -1.185 120.177 121.300 0.103 0.000 3.505 260 W HA 0.853 5.505 4.660 -0.014 0.000 0.338 260 W C -0.878 175.690 176.519 0.082 0.000 1.159 260 W CA -1.552 55.812 57.345 0.031 0.000 0.981 260 W CB 0.736 30.174 29.460 -0.037 0.000 1.575 260 W HN 0.136 nan 8.180 nan 0.000 0.608 261 L N 1.203 122.582 121.223 0.260 0.000 2.422 261 L HA 0.740 5.072 4.340 -0.014 0.000 0.264 261 L C -0.599 176.428 176.870 0.262 0.000 0.984 261 L CA -1.003 53.903 54.840 0.110 0.000 0.819 261 L CB 1.950 44.007 42.059 -0.003 0.000 1.330 261 L HN 0.586 nan 8.230 nan 0.000 0.410 262 A N 2.263 125.209 122.820 0.210 0.000 2.375 262 A HA 0.807 5.118 4.320 -0.014 0.000 0.291 262 A C -0.979 176.886 177.584 0.469 0.000 1.160 262 A CA -0.511 51.751 52.037 0.376 0.000 0.747 262 A CB 1.035 20.098 19.000 0.106 0.000 1.170 262 A HN 0.591 nan 8.150 nan 0.000 0.458 263 E N 0.711 121.221 120.200 0.515 0.000 2.369 263 E HA 0.210 4.551 4.350 -0.014 0.000 0.270 263 E C -1.076 175.763 176.600 0.398 0.000 0.909 263 E CA -0.610 56.091 56.400 0.501 0.000 0.775 263 E CB 1.619 31.669 29.700 0.583 0.000 1.270 263 E HN 0.791 nan 8.360 nan 0.000 0.445 264 H N 2.212 121.418 119.070 0.226 0.000 2.855 264 H HA 0.315 4.863 4.556 -0.013 0.000 0.238 264 H C -0.682 174.715 175.328 0.114 0.000 1.847 264 H CA -0.030 56.075 56.048 0.095 0.000 1.368 264 H CB -0.099 29.708 29.762 0.074 0.000 1.758 264 H HN 0.190 nan 8.280 nan 0.000 0.546 265 M N 3.848 123.547 119.600 0.165 0.000 2.393 265 M HA 0.179 4.651 4.480 -0.014 0.000 0.299 265 M C -0.829 175.487 176.300 0.026 0.000 1.103 265 M CA -1.328 53.996 55.300 0.039 0.000 0.910 265 M CB 2.650 35.322 32.600 0.119 0.000 1.659 265 M HN 0.298 nan 8.290 nan 0.000 0.445 266 L N 1.294 122.482 121.223 -0.058 0.000 2.453 266 L HA 0.707 5.038 4.340 -0.014 0.000 0.261 266 L C -1.002 175.888 176.870 0.034 0.000 1.179 266 L CA 0.124 54.962 54.840 -0.004 0.000 0.813 266 L CB 0.246 42.279 42.059 -0.045 0.000 1.110 266 L HN 0.572 nan 8.230 nan 0.000 0.466 267 I N 2.773 123.397 120.570 0.091 0.000 2.533 267 I HA 0.532 4.693 4.170 -0.014 0.000 0.290 267 I C -0.861 175.361 176.117 0.175 0.000 1.056 267 I CA -0.676 60.706 61.300 0.138 0.000 1.057 267 I CB 1.875 39.968 38.000 0.155 0.000 1.240 267 I HN 0.701 nan 8.210 nan 0.000 0.423 268 L N 3.489 124.830 121.223 0.197 0.000 2.376 268 L HA 1.054 5.386 4.340 -0.014 0.000 0.258 268 L C -0.284 176.695 176.870 0.183 0.000 1.013 268 L CA -0.507 54.441 54.840 0.181 0.000 0.822 268 L CB 1.608 43.730 42.059 0.104 0.000 1.388 268 L HN 0.502 nan 8.230 nan 0.000 0.413 269 G N 0.919 109.730 108.800 0.018 0.000 2.415 269 G HA2 0.693 4.645 3.960 -0.014 0.000 0.327 269 G HA3 0.693 4.645 3.960 -0.014 0.000 0.327 269 G C -1.433 173.382 174.900 -0.142 0.000 1.182 269 G CA -0.552 44.307 45.100 -0.403 0.000 0.924 269 G HN 0.922 nan 8.290 nan 0.000 0.470 270 I N 1.406 121.937 120.570 -0.065 0.000 2.498 270 I HA 0.592 4.753 4.170 -0.014 0.000 0.290 270 I C -0.655 175.579 176.117 0.195 0.000 1.032 270 I CA -0.471 60.913 61.300 0.141 0.000 1.073 270 I CB 2.153 40.328 38.000 0.291 0.000 1.251 270 I HN 0.398 nan 8.210 nan 0.000 0.426 271 T N 6.128 120.746 114.554 0.106 0.000 2.807 271 T HA 0.366 4.708 4.350 -0.014 0.000 0.279 271 T C -0.331 174.139 174.700 -0.383 0.000 0.993 271 T CA -0.704 61.365 62.100 -0.051 0.000 0.970 271 T CB 1.093 69.919 68.868 -0.070 0.000 0.950 271 T HN 0.739 nan 8.240 nan 0.000 0.441 272 N N 3.057 121.268 118.700 -0.815 0.000 2.413 272 N HA 0.335 5.066 4.740 -0.014 0.000 0.266 272 N C -2.311 172.592 175.510 -1.012 0.000 1.238 272 N CA -2.219 49.809 53.050 -1.704 0.000 0.972 272 N CB -0.080 37.277 38.487 -1.883 0.000 1.210 272 N HN 0.076 nan 8.380 nan 0.000 0.547 273 P HA -0.034 nan 4.420 nan 0.000 0.222 273 P C 0.202 177.305 177.300 -0.328 0.000 1.147 273 P CA 1.269 64.051 63.100 -0.530 0.000 0.790 273 P CB 0.144 31.601 31.700 -0.404 0.000 0.780 274 E N -1.635 118.369 120.200 -0.327 0.000 2.489 274 E HA 0.169 4.511 4.350 -0.014 0.000 0.193 274 E C 1.108 177.619 176.600 -0.148 0.000 1.057 274 E CA 0.427 56.714 56.400 -0.188 0.000 0.866 274 E CB -0.260 29.355 29.700 -0.143 0.000 0.916 274 E HN 0.156 nan 8.360 nan 0.000 0.500 275 G N 2.116 110.803 108.800 -0.188 0.000 2.157 275 G HA2 -0.272 3.679 3.960 -0.014 0.000 0.239 275 G HA3 -0.272 3.679 3.960 -0.014 0.000 0.239 275 G C 0.023 174.886 174.900 -0.062 0.000 0.982 275 G CA -0.190 44.841 45.100 -0.115 0.000 0.650 275 G HN 0.131 nan 8.290 nan 0.000 0.527 276 K N 0.500 120.869 120.400 -0.052 0.000 2.234 276 K HA 0.520 4.831 4.320 -0.014 0.000 0.282 276 K C 0.165 176.892 176.600 0.211 0.000 1.039 276 K CA -0.262 56.084 56.287 0.098 0.000 0.928 276 K CB 1.345 33.967 32.500 0.202 0.000 1.039 276 K HN 0.213 nan 8.250 nan 0.000 0.470 277 K N 2.857 123.353 120.400 0.160 0.000 2.316 277 K HA 0.345 4.657 4.320 -0.014 0.000 0.251 277 K C -1.148 175.479 176.600 0.044 0.000 0.934 277 K CA -0.700 55.658 56.287 0.118 0.000 0.802 277 K CB 1.140 33.633 32.500 -0.011 0.000 1.171 277 K HN 0.400 nan 8.250 nan 0.000 0.426 278 K N 2.131 122.532 120.400 0.001 0.000 2.482 278 K HA 0.339 4.651 4.320 -0.014 0.000 0.257 278 K C -1.538 174.980 176.600 -0.137 0.000 0.969 278 K CA -0.885 55.353 56.287 -0.081 0.000 0.842 278 K CB 1.598 33.953 32.500 -0.241 0.000 1.359 278 K HN 0.360 nan 8.250 nan 0.000 0.441 279 Y N 0.996 121.325 120.300 0.049 0.000 2.409 279 Y HA 0.500 5.044 4.550 -0.010 0.000 0.339 279 Y C -0.208 175.731 175.900 0.065 0.000 1.033 279 Y CA -0.785 57.357 58.100 0.070 0.000 1.094 279 Y CB 1.286 39.783 38.460 0.061 0.000 1.210 279 Y HN 0.164 nan 8.280 nan 0.000 0.456 280 L N 2.569 123.925 121.223 0.222 0.000 2.370 280 L HA 0.917 5.249 4.340 -0.014 0.000 0.266 280 L C -0.597 176.352 176.870 0.131 0.000 1.002 280 L CA -1.228 53.705 54.840 0.155 0.000 0.818 280 L CB 2.101 44.233 42.059 0.120 0.000 1.325 280 L HN 0.688 nan 8.230 nan 0.000 0.418 281 A N 1.678 124.549 122.820 0.086 0.000 2.355 281 A HA 0.952 5.263 4.320 -0.014 0.000 0.324 281 A C -0.822 176.716 177.584 -0.076 0.000 1.117 281 A CA -0.459 51.600 52.037 0.036 0.000 0.785 281 A CB 1.714 20.762 19.000 0.081 0.000 1.254 281 A HN 0.783 nan 8.150 nan 0.000 0.453 282 A N 0.763 123.475 122.820 -0.179 0.000 2.408 282 A HA 0.745 5.057 4.320 -0.014 0.000 0.295 282 A C -0.316 176.950 177.584 -0.529 0.000 1.040 282 A CA 0.156 51.933 52.037 -0.434 0.000 0.707 282 A CB 1.122 19.735 19.000 -0.645 0.000 1.235 282 A HN 2.233 nan 8.150 nan 0.000 0.418 283 A N 2.490 125.070 122.820 -0.400 0.000 2.273 283 A HA 0.775 5.087 4.320 -0.014 0.000 0.320 283 A C -1.072 176.446 177.584 -0.110 0.000 1.358 283 A CA -0.186 51.752 52.037 -0.166 0.000 0.910 283 A CB -0.294 18.850 19.000 0.240 0.000 1.159 283 A HN 0.654 nan 8.150 nan 0.000 0.526 284 F N 1.921 121.819 119.950 -0.086 0.000 2.561 284 F HA 0.619 5.136 4.527 -0.015 0.000 0.321 284 F C -2.346 173.383 175.800 -0.117 0.000 1.065 284 F CA -2.904 55.040 58.000 -0.094 0.000 0.934 284 F CB 1.170 40.117 39.000 -0.088 0.000 1.215 284 F HN 0.271 nan 8.300 nan 0.000 0.471 285 P HA 0.108 nan 4.420 nan 0.000 0.271 285 P C -0.553 176.851 177.300 0.175 0.000 1.244 285 P CA -0.217 62.981 63.100 0.163 0.000 0.793 285 P CB 0.368 32.113 31.700 0.076 0.000 0.984 286 S N 0.733 116.612 115.700 0.298 0.000 2.559 286 S HA 0.269 4.731 4.470 -0.014 0.000 0.282 286 S C 1.003 175.666 174.600 0.104 0.000 1.336 286 S CA 0.651 58.993 58.200 0.237 0.000 1.037 286 S CB -0.605 62.759 63.200 0.273 0.000 0.853 286 S HN 0.743 nan 8.310 nan 0.000 0.523 287 A N 0.005 122.871 122.820 0.076 0.000 2.899 287 A HA -0.190 4.122 4.320 -0.014 0.000 0.257 287 A C 0.954 178.541 177.584 0.005 0.000 1.335 287 A CA 0.733 52.787 52.037 0.028 0.000 0.924 287 A CB -2.447 16.549 19.000 -0.008 0.000 1.105 287 A HN 0.881 nan 8.150 nan 0.000 0.765 288 C N -1.252 118.079 119.300 0.052 0.000 3.255 288 C HA 0.588 5.039 4.460 -0.014 0.000 0.282 288 C C 1.858 176.971 174.990 0.206 0.000 1.441 288 C CA 0.248 59.274 59.018 0.013 0.000 1.785 288 C CB -0.471 27.206 27.740 -0.106 0.000 2.583 288 C HN 2.395 nan 8.230 nan 0.000 0.615 289 G N 1.628 110.588 108.800 0.266 0.000 2.131 289 G HA2 -0.206 3.745 3.960 -0.014 0.000 0.201 289 G HA3 -0.206 3.745 3.960 -0.014 0.000 0.201 289 G C 0.840 175.997 174.900 0.429 0.000 1.000 289 G CA 0.296 45.589 45.100 0.321 0.000 0.680 289 G HN 0.501 nan 8.290 nan 0.000 0.514 290 K N -0.427 120.216 120.400 0.406 0.000 2.026 290 K HA -0.074 4.238 4.320 -0.014 0.000 0.208 290 K C 2.549 179.233 176.600 0.139 0.000 1.048 290 K CA 1.857 58.294 56.287 0.251 0.000 0.929 290 K CB -0.268 32.252 32.500 0.033 0.000 0.713 290 K HN 0.342 nan 8.250 nan 0.000 0.439 291 T N 1.576 116.188 114.554 0.097 0.000 2.821 291 T HA -0.074 4.267 4.350 -0.014 0.000 0.267 291 T C 1.521 176.246 174.700 0.041 0.000 1.046 291 T CA 1.044 63.158 62.100 0.025 0.000 1.139 291 T CB -0.215 68.653 68.868 -0.001 0.000 0.871 291 T HN 0.269 nan 8.240 nan 0.000 0.454 292 N N 1.177 119.947 118.700 0.116 0.000 2.120 292 N HA -0.070 4.662 4.740 -0.014 0.000 0.188 292 N C 1.839 177.407 175.510 0.097 0.000 1.024 292 N CA 0.926 54.052 53.050 0.127 0.000 0.852 292 N CB -0.301 38.312 38.487 0.211 0.000 1.003 292 N HN 0.234 nan 8.380 nan 0.000 0.424 293 L N 1.517 122.833 121.223 0.155 0.000 2.072 293 L HA 0.070 4.402 4.340 -0.014 0.000 0.205 293 L C 2.256 179.176 176.870 0.084 0.000 1.079 293 L CA 1.264 56.199 54.840 0.157 0.000 0.752 293 L CB -0.808 41.463 42.059 0.355 0.000 0.906 293 L HN 0.051 nan 8.230 nan 0.000 0.436 294 A N -0.587 122.264 122.820 0.051 0.000 2.019 294 A HA -0.128 4.184 4.320 -0.014 0.000 0.219 294 A C 1.936 179.496 177.584 -0.039 0.000 1.164 294 A CA 1.920 53.959 52.037 0.004 0.000 0.644 294 A CB -0.524 18.457 19.000 -0.031 0.000 0.805 294 A HN 0.554 nan 8.150 nan 0.000 0.449 295 M N -0.892 118.669 119.600 -0.065 0.000 2.576 295 M HA 0.305 4.777 4.480 -0.014 0.000 0.322 295 M C 0.390 176.666 176.300 -0.039 0.000 1.184 295 M CA -0.174 55.071 55.300 -0.092 0.000 0.967 295 M CB 0.028 32.525 32.600 -0.172 0.000 1.372 295 M HN 0.458 nan 8.290 nan 0.000 0.509 296 M N 2.330 121.925 119.600 -0.008 0.000 2.240 296 M HA -0.060 4.412 4.480 -0.014 0.000 0.346 296 M C -0.015 176.281 176.300 -0.007 0.000 1.236 296 M CA 1.259 56.558 55.300 -0.003 0.000 0.986 296 M CB 0.294 32.894 32.600 -0.000 0.000 1.786 296 M HN 0.324 nan 8.290 nan 0.000 0.457 297 N N 7.390 126.082 118.700 -0.013 0.000 2.558 297 N HA 0.381 5.112 4.740 -0.014 0.000 0.233 297 N C -2.501 173.000 175.510 -0.015 0.000 1.038 297 N CA -1.640 51.402 53.050 -0.012 0.000 0.934 297 N CB 0.819 39.293 38.487 -0.023 0.000 1.175 297 N HN 0.431 nan 8.380 nan 0.000 0.512 298 P HA 0.036 nan 4.420 nan 0.000 0.268 298 P C 0.775 178.063 177.300 -0.019 0.000 1.205 298 P CA -0.105 62.987 63.100 -0.015 0.000 0.771 298 P CB 1.048 32.770 31.700 0.037 0.000 0.858 299 T N -0.270 114.250 114.554 -0.057 0.000 3.014 299 T HA 0.062 4.404 4.350 -0.014 0.000 0.263 299 T C 1.033 175.717 174.700 -0.027 0.000 1.078 299 T CA 0.208 62.277 62.100 -0.052 0.000 1.135 299 T CB -0.411 68.405 68.868 -0.087 0.000 0.895 299 T HN 0.193 nan 8.240 nan 0.000 0.480 300 L N 3.646 124.845 121.223 -0.041 0.000 2.410 300 L HA 0.286 4.618 4.340 -0.014 0.000 0.273 300 L C -2.029 174.939 176.870 0.164 0.000 1.144 300 L CA -2.093 52.755 54.840 0.015 0.000 0.863 300 L CB 0.187 42.160 42.059 -0.143 0.000 1.140 300 L HN 0.093 nan 8.230 nan 0.000 0.463 301 P HA 0.055 nan 4.420 nan 0.000 0.268 301 P C 0.770 178.164 177.300 0.156 0.000 1.205 301 P CA 0.446 63.617 63.100 0.118 0.000 0.771 301 P CB 1.121 32.860 31.700 0.065 0.000 0.858 302 G N 1.079 109.921 108.800 0.069 0.000 2.253 302 G HA2 -0.228 3.724 3.960 -0.014 0.000 0.251 302 G HA3 -0.228 3.724 3.960 -0.014 0.000 0.251 302 G C -0.365 174.463 174.900 -0.120 0.000 0.998 302 G CA -0.399 44.672 45.100 -0.049 0.000 0.621 302 G HN 0.421 nan 8.290 nan 0.000 0.524 303 W N 1.154 122.413 121.300 -0.069 0.000 2.251 303 W HA 0.694 5.348 4.660 -0.011 0.000 0.329 303 W C 0.327 176.812 176.519 -0.057 0.000 1.234 303 W CA -0.210 57.086 57.345 -0.081 0.000 1.228 303 W CB 0.890 30.300 29.460 -0.084 0.000 1.135 303 W HN 0.055 nan 8.180 nan 0.000 0.576 304 K N 1.562 122.054 120.400 0.153 0.000 2.427 304 K HA 0.636 4.948 4.320 -0.014 0.000 0.252 304 K C -1.276 175.386 176.600 0.104 0.000 0.931 304 K CA -0.809 55.530 56.287 0.088 0.000 0.793 304 K CB 1.989 34.502 32.500 0.021 0.000 1.211 304 K HN 0.158 nan 8.250 nan 0.000 0.426 305 V N 2.195 122.155 119.914 0.076 0.000 2.513 305 V HA 0.444 4.556 4.120 -0.014 0.000 0.299 305 V C -0.586 175.530 176.094 0.037 0.000 1.035 305 V CA -0.719 61.618 62.300 0.062 0.000 0.889 305 V CB 1.756 33.613 31.823 0.057 0.000 0.988 305 V HN 0.707 nan 8.190 nan 0.000 0.440 306 E N 1.733 121.954 120.200 0.035 0.000 2.266 306 E HA 0.445 4.787 4.350 -0.014 0.000 0.268 306 E C -1.420 175.226 176.600 0.077 0.000 0.879 306 E CA -0.538 55.890 56.400 0.048 0.000 0.762 306 E CB 2.365 32.100 29.700 0.059 0.000 1.199 306 E HN 0.717 nan 8.360 nan 0.000 0.422 307 C N 3.232 122.576 119.300 0.072 0.000 2.307 307 C HA 0.356 4.807 4.460 -0.014 0.000 0.340 307 C C 1.334 176.431 174.990 0.177 0.000 1.275 307 C CA -0.312 58.759 59.018 0.088 0.000 1.811 307 C CB -0.274 27.466 27.740 -0.001 0.000 2.372 307 C HN 0.705 nan 8.230 nan 0.000 0.531 308 V N 5.246 125.304 119.914 0.240 0.000 2.575 308 V HA 0.379 4.491 4.120 -0.014 0.000 0.242 308 V C 1.417 177.695 176.094 0.307 0.000 1.045 308 V CA 1.428 63.917 62.300 0.315 0.000 1.065 308 V CB -0.324 31.677 31.823 0.296 0.000 0.717 308 V HN 1.062 nan 8.190 nan 0.000 0.467 309 G N -0.125 108.828 108.800 0.255 0.000 2.677 309 G HA2 0.473 4.424 3.960 -0.014 0.000 0.291 309 G HA3 0.473 4.424 3.960 -0.014 0.000 0.291 309 G C -0.929 174.102 174.900 0.219 0.000 1.435 309 G CA 0.419 45.688 45.100 0.282 0.000 0.826 309 G HN 0.141 nan 8.290 nan 0.000 0.491 310 D N -1.454 119.097 120.400 0.252 0.000 2.469 310 D HA 0.188 4.820 4.640 -0.014 0.000 0.213 310 D C 0.421 176.777 176.300 0.093 0.000 1.135 310 D CA 0.230 54.297 54.000 0.112 0.000 0.834 310 D CB 1.334 42.140 40.800 0.009 0.000 1.009 310 D HN 0.369 nan 8.370 nan 0.000 0.507 311 D N -0.661 119.810 120.400 0.117 0.000 1.924 311 D HA 0.270 4.901 4.640 -0.014 0.000 0.371 311 D C -0.393 176.002 176.300 0.158 0.000 1.086 311 D CA 0.123 54.201 54.000 0.130 0.000 0.982 311 D CB 1.000 41.892 40.800 0.154 0.000 1.872 311 D HN 0.071 nan 8.370 nan 0.000 0.543 312 I N 1.237 121.870 120.570 0.105 0.000 2.582 312 I HA 0.709 4.870 4.170 -0.014 0.000 0.292 312 I C -1.104 175.064 176.117 0.086 0.000 1.066 312 I CA -1.093 60.267 61.300 0.101 0.000 1.053 312 I CB 2.263 40.270 38.000 0.012 0.000 1.241 312 I HN 0.052 nan 8.210 nan 0.000 0.421 313 A N 5.491 128.432 122.820 0.202 0.000 2.393 313 A HA 0.788 5.099 4.320 -0.014 0.000 0.306 313 A C -2.016 175.862 177.584 0.491 0.000 1.050 313 A CA -0.381 51.793 52.037 0.230 0.000 0.724 313 A CB 1.113 20.246 19.000 0.222 0.000 1.248 313 A HN 0.602 nan 8.150 nan 0.000 0.424 314 W N 1.915 123.314 121.300 0.165 0.000 2.475 314 W HA 0.721 5.373 4.660 -0.013 0.000 0.317 314 W C -0.365 176.235 176.519 0.136 0.000 1.046 314 W CA -1.112 56.377 57.345 0.241 0.000 1.215 314 W CB 1.256 30.818 29.460 0.170 0.000 1.335 314 W HN 0.528 nan 8.180 nan 0.000 0.471 315 M N 3.178 123.005 119.600 0.379 0.000 2.457 315 M HA 0.473 4.945 4.480 -0.014 0.000 0.300 315 M C -0.628 175.720 176.300 0.080 0.000 1.141 315 M CA -0.888 54.487 55.300 0.126 0.000 0.901 315 M CB 3.412 36.031 32.600 0.032 0.000 1.687 315 M HN 0.288 nan 8.290 nan 0.000 0.449 316 K N 2.116 122.475 120.400 -0.068 0.000 2.550 316 K HA 0.487 4.798 4.320 -0.014 0.000 0.252 316 K C -1.791 174.717 176.600 -0.153 0.000 0.943 316 K CA -0.520 55.739 56.287 -0.047 0.000 0.806 316 K CB 1.765 34.265 32.500 -0.000 0.000 1.289 316 K HN 0.476 nan 8.250 nan 0.000 0.435 317 F N 3.490 123.435 119.950 -0.009 0.000 2.578 317 F HA 0.016 4.535 4.527 -0.014 0.000 0.376 317 F C 1.194 176.975 175.800 -0.032 0.000 1.085 317 F CA 0.437 58.414 58.000 -0.038 0.000 1.260 317 F CB 0.349 39.308 39.000 -0.068 0.000 1.095 317 F HN 0.594 nan 8.300 nan 0.000 0.573 318 D N 2.044 122.524 120.400 0.133 0.000 2.451 318 D HA 0.353 4.985 4.640 -0.014 0.000 0.259 318 D C 1.020 177.358 176.300 0.063 0.000 1.201 318 D CA -0.273 53.765 54.000 0.064 0.000 1.028 318 D CB 0.372 41.183 40.800 0.018 0.000 1.095 318 D HN 0.456 nan 8.370 nan 0.000 0.539 319 A N -0.605 122.232 122.820 0.027 0.000 2.024 319 A HA -0.205 4.107 4.320 -0.014 0.000 0.220 319 A C 1.825 179.414 177.584 0.008 0.000 1.164 319 A CA 1.308 53.353 52.037 0.013 0.000 0.643 319 A CB -0.632 18.369 19.000 0.001 0.000 0.806 319 A HN 0.504 nan 8.150 nan 0.000 0.451 320 Q N -1.646 118.163 119.800 0.015 0.000 2.425 320 Q HA 0.189 4.520 4.340 -0.014 0.000 0.204 320 Q C 1.305 177.315 176.000 0.017 0.000 0.933 320 Q CA 0.862 56.671 55.803 0.010 0.000 0.939 320 Q CB 0.043 28.787 28.738 0.010 0.000 1.044 320 Q HN 1.036 nan 8.270 nan 0.000 0.513 321 G N 1.127 109.955 108.800 0.048 0.000 2.176 321 G HA2 -0.202 3.750 3.960 -0.014 0.000 0.232 321 G HA3 -0.202 3.750 3.960 -0.014 0.000 0.232 321 G C 0.083 175.111 174.900 0.214 0.000 0.986 321 G CA -0.248 44.894 45.100 0.071 0.000 0.643 321 G HN 0.284 nan 8.290 nan 0.000 0.522 322 N N 0.456 119.244 118.700 0.147 0.000 2.513 322 N HA 0.328 5.060 4.740 -0.014 0.000 0.268 322 N C -0.049 175.513 175.510 0.087 0.000 1.180 322 N CA -0.215 52.907 53.050 0.120 0.000 0.948 322 N CB 1.596 40.107 38.487 0.040 0.000 1.083 322 N HN 0.255 nan 8.380 nan 0.000 0.455 323 L N 3.815 125.001 121.223 -0.060 0.000 2.342 323 L HA 0.153 4.484 4.340 -0.014 0.000 0.285 323 L C 0.055 176.789 176.870 -0.227 0.000 1.095 323 L CA 0.001 54.572 54.840 -0.448 0.000 0.843 323 L CB -0.261 41.474 42.059 -0.539 0.000 1.201 323 L HN 0.238 nan 8.230 nan 0.000 0.445 324 R N 4.426 124.811 120.500 -0.192 0.000 2.349 324 R HA 0.722 5.053 4.340 -0.014 0.000 0.299 324 R C -0.589 175.652 176.300 -0.098 0.000 1.027 324 R CA -0.362 55.663 56.100 -0.125 0.000 0.958 324 R CB 1.381 31.623 30.300 -0.097 0.000 1.047 324 R HN 0.707 nan 8.270 nan 0.000 0.468 325 A N 4.072 126.842 122.820 -0.084 0.000 2.355 325 A HA 0.687 4.999 4.320 -0.014 0.000 0.317 325 A C -0.112 177.454 177.584 -0.030 0.000 1.094 325 A CA -0.861 51.165 52.037 -0.018 0.000 0.764 325 A CB 0.866 19.873 19.000 0.012 0.000 1.230 325 A HN 0.769 nan 8.150 nan 0.000 0.448 326 I N -0.399 120.182 120.570 0.018 0.000 2.693 326 I HA 0.592 4.753 4.170 -0.014 0.000 0.303 326 I C -0.323 175.778 176.117 -0.027 0.000 1.025 326 I CA -0.964 60.321 61.300 -0.024 0.000 1.086 326 I CB 1.993 39.956 38.000 -0.063 0.000 1.268 326 I HN 0.488 nan 8.210 nan 0.000 0.440 327 N N 6.165 124.849 118.700 -0.026 0.000 2.406 327 N HA 0.340 5.072 4.740 -0.014 0.000 0.251 327 N C -1.761 173.625 175.510 -0.207 0.000 1.069 327 N CA -2.534 50.490 53.050 -0.044 0.000 0.947 327 N CB 0.963 39.527 38.487 0.127 0.000 1.111 327 N HN 0.480 nan 8.380 nan 0.000 0.497 328 P HA 0.014 nan 4.420 nan 0.000 0.241 328 P C -0.457 176.594 177.300 -0.415 0.000 1.191 328 P CA 0.646 63.334 63.100 -0.686 0.000 0.771 328 P CB 0.508 31.271 31.700 -1.562 0.000 0.929 329 E N 0.034 120.086 120.200 -0.247 0.000 2.312 329 E HA 0.159 4.501 4.350 -0.014 0.000 0.259 329 E C 0.268 176.844 176.600 -0.040 0.000 1.122 329 E CA -0.433 55.875 56.400 -0.153 0.000 0.922 329 E CB 0.375 30.001 29.700 -0.123 0.000 1.109 329 E HN -0.133 nan 8.360 nan 0.000 0.442 330 N N -0.869 117.792 118.700 -0.065 0.000 2.171 330 N HA 0.174 4.906 4.740 -0.014 0.000 0.212 330 N C -0.609 174.793 175.510 -0.180 0.000 1.184 330 N CA 0.068 53.133 53.050 0.025 0.000 0.888 330 N CB 1.196 39.673 38.487 -0.016 0.000 1.038 330 N HN 0.509 nan 8.380 nan 0.000 0.517 331 G N -1.121 107.473 108.800 -0.343 0.000 2.682 331 G HA2 0.486 4.438 3.960 -0.014 0.000 0.303 331 G HA3 0.486 4.438 3.960 -0.014 0.000 0.303 331 G C -1.866 172.689 174.900 -0.575 0.000 1.341 331 G CA -0.596 44.174 45.100 -0.550 0.000 0.784 331 G HN -0.020 nan 8.290 nan 0.000 0.497 332 F N -0.050 119.922 119.950 0.036 0.000 2.493 332 F HA 0.558 5.076 4.527 -0.014 0.000 0.329 332 F C -0.707 175.147 175.800 0.090 0.000 1.126 332 F CA -1.251 56.796 58.000 0.078 0.000 0.937 332 F CB 2.174 41.267 39.000 0.155 0.000 1.146 332 F HN 0.287 nan 8.300 nan 0.000 0.442 333 F N 3.183 123.134 119.950 0.001 0.000 2.344 333 F HA 0.669 5.188 4.527 -0.014 0.000 0.344 333 F C 0.398 175.976 175.800 -0.371 0.000 1.140 333 F CA -1.034 56.853 58.000 -0.188 0.000 1.256 333 F CB -0.023 38.897 39.000 -0.134 0.000 1.573 333 F HN 0.482 nan 8.300 nan 0.000 0.547 334 G N 2.530 110.676 108.800 -1.090 0.000 2.400 334 G HA2 0.448 4.400 3.960 -0.014 0.000 0.301 334 G HA3 0.448 4.400 3.960 -0.014 0.000 0.301 334 G C -0.839 173.297 174.900 -1.274 0.000 1.154 334 G CA -0.646 43.698 45.100 -1.260 0.000 0.852 334 G HN 0.247 nan 8.290 nan 0.000 0.511 335 V N 1.911 121.427 119.914 -0.662 0.000 2.540 335 V HA 0.178 4.290 4.120 -0.014 0.000 0.297 335 V C 1.506 177.309 176.094 -0.486 0.000 1.024 335 V CA 0.778 62.788 62.300 -0.483 0.000 1.105 335 V CB 0.606 32.277 31.823 -0.252 0.000 0.938 335 V HN 0.986 nan 8.190 nan 0.000 0.482 336 A N 7.883 130.379 122.820 -0.539 0.000 1.843 336 A HA 0.180 4.492 4.320 -0.014 0.000 0.213 336 A C -1.316 175.597 177.584 -1.118 0.000 1.202 336 A CA 0.570 52.108 52.037 -0.832 0.000 0.607 336 A CB -1.096 17.344 19.000 -0.934 0.000 0.847 336 A HN 0.727 nan 8.150 nan 0.000 0.445 337 P HA 0.265 nan 4.420 nan 0.000 0.266 337 P C 0.822 177.995 177.300 -0.212 0.000 1.195 337 P CA 1.814 64.675 63.100 -0.399 0.000 0.768 337 P CB 0.449 32.060 31.700 -0.149 0.000 0.838 338 G N 1.288 110.087 108.800 -0.002 0.000 2.199 338 G HA2 -0.225 3.727 3.960 -0.014 0.000 0.254 338 G HA3 -0.225 3.727 3.960 -0.014 0.000 0.254 338 G C 0.254 175.180 174.900 0.043 0.000 0.982 338 G CA 0.127 45.252 45.100 0.042 0.000 0.632 338 G HN 0.605 nan 8.290 nan 0.000 0.529 339 T N 1.854 116.432 114.554 0.040 0.000 2.761 339 T HA 0.584 4.926 4.350 -0.014 0.000 0.296 339 T C 0.424 175.287 174.700 0.271 0.000 0.934 339 T CA 0.773 62.945 62.100 0.119 0.000 1.091 339 T CB 1.289 70.202 68.868 0.076 0.000 0.896 339 T HN 1.385 nan 8.240 nan 0.000 0.515 340 S N 1.690 117.436 115.700 0.076 0.000 2.671 340 S HA 0.420 4.882 4.470 -0.014 0.000 0.277 340 S C 0.953 175.523 174.600 -0.049 0.000 1.165 340 S CA -0.856 57.354 58.200 0.016 0.000 0.822 340 S CB 0.887 64.057 63.200 -0.049 0.000 1.150 340 S HN 0.186 nan 8.310 nan 0.000 0.479 341 V N 1.834 121.711 119.914 -0.062 0.000 2.594 341 V HA -0.133 3.979 4.120 -0.014 0.000 0.253 341 V C 2.352 178.381 176.094 -0.108 0.000 1.069 341 V CA 2.010 64.266 62.300 -0.073 0.000 1.082 341 V CB -0.998 30.789 31.823 -0.061 0.000 0.680 341 V HN 0.826 nan 8.190 nan 0.000 0.469 342 K N 0.256 120.565 120.400 -0.152 0.000 2.167 342 K HA -0.078 4.234 4.320 -0.014 0.000 0.203 342 K C 2.127 178.520 176.600 -0.346 0.000 1.052 342 K CA 1.743 57.897 56.287 -0.222 0.000 0.956 342 K CB -0.246 32.108 32.500 -0.243 0.000 0.735 342 K HN 0.685 nan 8.250 nan 0.000 0.451 343 T N -2.307 112.008 114.554 -0.398 0.000 3.015 343 T HA 0.066 4.408 4.350 -0.014 0.000 0.250 343 T C 0.673 175.296 174.700 -0.127 0.000 1.057 343 T CA 0.086 61.849 62.100 -0.563 0.000 1.066 343 T CB 0.210 68.687 68.868 -0.651 0.000 0.959 343 T HN -0.069 nan 8.240 nan 0.000 0.488 344 N N 1.192 119.840 118.700 -0.086 0.000 2.926 344 N HA 0.209 4.941 4.740 -0.014 0.000 0.201 344 N C -2.656 172.826 175.510 -0.047 0.000 1.419 344 N CA -1.196 51.836 53.050 -0.030 0.000 0.838 344 N CB 1.414 39.906 38.487 0.007 0.000 1.534 344 N HN 0.001 nan 8.380 nan 0.000 0.569 345 P HA -0.058 nan 4.420 nan 0.000 0.220 345 P C 0.768 178.033 177.300 -0.059 0.000 1.148 345 P CA 0.937 64.005 63.100 -0.054 0.000 0.803 345 P CB 0.564 32.234 31.700 -0.051 0.000 0.782 346 N N 0.203 118.865 118.700 -0.063 0.000 2.331 346 N HA -0.052 4.680 4.740 -0.014 0.000 0.180 346 N C 1.880 177.325 175.510 -0.109 0.000 1.019 346 N CA 1.235 54.240 53.050 -0.075 0.000 0.881 346 N CB -0.617 37.827 38.487 -0.073 0.000 0.972 346 N HN 0.118 nan 8.380 nan 0.000 0.435 347 A N 1.642 124.384 122.820 -0.129 0.000 1.898 347 A HA -0.058 4.254 4.320 -0.014 0.000 0.216 347 A C 2.126 179.577 177.584 -0.222 0.000 1.181 347 A CA 0.715 52.623 52.037 -0.214 0.000 0.620 347 A CB -0.361 18.517 19.000 -0.204 0.000 0.819 347 A HN 0.079 nan 8.150 nan 0.000 0.442 348 I N 0.260 120.757 120.570 -0.121 0.000 2.208 348 I HA -0.260 3.902 4.170 -0.014 0.000 0.245 348 I C 2.197 178.256 176.117 -0.096 0.000 1.097 348 I CA 1.746 62.998 61.300 -0.080 0.000 1.363 348 I CB -1.157 36.819 38.000 -0.039 0.000 1.051 348 I HN 0.402 nan 8.210 nan 0.000 0.413 349 K N -0.012 120.337 120.400 -0.085 0.000 2.097 349 K HA -0.119 4.192 4.320 -0.014 0.000 0.206 349 K C 2.027 178.581 176.600 -0.076 0.000 1.049 349 K CA 1.674 57.920 56.287 -0.067 0.000 0.933 349 K CB -0.222 32.248 32.500 -0.050 0.000 0.717 349 K HN 0.317 nan 8.250 nan 0.000 0.442 350 T N 1.914 116.406 114.554 -0.104 0.000 2.896 350 T HA -0.013 4.329 4.350 -0.014 0.000 0.263 350 T C 1.704 176.338 174.700 -0.110 0.000 1.050 350 T CA 0.949 62.998 62.100 -0.086 0.000 1.140 350 T CB -0.082 68.740 68.868 -0.078 0.000 0.877 350 T HN 0.357 nan 8.240 nan 0.000 0.457 351 I N 1.080 121.537 120.570 -0.187 0.000 3.810 351 I HA 0.179 4.340 4.170 -0.014 0.000 0.322 351 I C 1.991 178.058 176.117 -0.084 0.000 1.288 351 I CA 0.022 61.209 61.300 -0.189 0.000 1.143 351 I CB -0.591 37.205 38.000 -0.339 0.000 1.012 351 I HN 0.232 nan 8.210 nan 0.000 0.423 352 Q N 3.110 122.834 119.800 -0.125 0.000 2.435 352 Q HA 0.065 4.396 4.340 -0.014 0.000 0.207 352 Q C 0.340 176.322 176.000 -0.030 0.000 0.956 352 Q CA 0.281 55.974 55.803 -0.182 0.000 0.917 352 Q CB -0.001 28.683 28.738 -0.090 0.000 0.997 352 Q HN 0.748 nan 8.270 nan 0.000 0.497 353 K N -0.510 119.904 120.400 0.023 0.000 2.527 353 K HA 0.309 4.621 4.320 -0.014 0.000 0.260 353 K C -0.938 175.726 176.600 0.107 0.000 0.937 353 K CA -0.723 55.615 56.287 0.085 0.000 0.826 353 K CB 0.939 33.484 32.500 0.075 0.000 1.359 353 K HN -0.095 nan 8.250 nan 0.000 0.434 354 N N 0.178 118.978 118.700 0.167 0.000 2.708 354 N HA -0.134 4.598 4.740 -0.014 0.000 0.249 354 N C -1.227 174.406 175.510 0.206 0.000 1.097 354 N CA 1.546 54.730 53.050 0.223 0.000 0.710 354 N CB -1.295 37.298 38.487 0.176 0.000 1.032 354 N HN 0.788 nan 8.380 nan 0.000 0.551 355 T N 0.760 115.430 114.554 0.195 0.000 2.863 355 T HA 0.656 4.997 4.350 -0.014 0.000 0.285 355 T C 0.719 175.506 174.700 0.145 0.000 1.009 355 T CA -0.488 61.647 62.100 0.060 0.000 0.989 355 T CB 1.931 70.714 68.868 -0.143 0.000 1.004 355 T HN 0.051 nan 8.240 nan 0.000 0.455 356 I N 3.182 123.792 120.570 0.067 0.000 2.336 356 I HA 0.436 4.597 4.170 -0.014 0.000 0.292 356 I C -0.845 175.278 176.117 0.010 0.000 0.991 356 I CA -0.640 60.770 61.300 0.182 0.000 1.227 356 I CB 0.865 38.958 38.000 0.155 0.000 1.366 356 I HN 0.493 nan 8.210 nan 0.000 0.466 357 F N 3.253 123.390 119.950 0.312 0.000 2.450 357 F HA 0.492 5.010 4.527 -0.015 0.000 0.332 357 F C 0.412 176.375 175.800 0.270 0.000 1.093 357 F CA -0.508 57.658 58.000 0.276 0.000 1.003 357 F CB 2.040 41.221 39.000 0.302 0.000 1.151 357 F HN 0.237 nan 8.300 nan 0.000 0.474 358 T N 2.875 117.648 114.554 0.364 0.000 2.840 358 T HA 0.260 4.602 4.350 -0.014 0.000 0.287 358 T C -0.412 174.407 174.700 0.199 0.000 0.991 358 T CA -0.786 61.476 62.100 0.270 0.000 0.964 358 T CB 0.779 69.773 68.868 0.210 0.000 0.954 358 T HN 0.626 nan 8.240 nan 0.000 0.438 359 N N 0.221 119.045 118.700 0.206 0.000 2.829 359 N HA -0.135 4.596 4.740 -0.014 0.000 0.250 359 N C 0.083 175.699 175.510 0.178 0.000 1.090 359 N CA 1.110 54.277 53.050 0.194 0.000 0.781 359 N CB -1.829 36.636 38.487 -0.037 0.000 1.124 359 N HN 0.678 nan 8.380 nan 0.000 0.559 360 V N -3.013 117.057 119.914 0.261 0.000 3.234 360 V HA 0.928 5.039 4.120 -0.014 0.000 0.317 360 V C 0.936 177.184 176.094 0.257 0.000 1.081 360 V CA -0.456 62.015 62.300 0.285 0.000 1.037 360 V CB 1.656 33.742 31.823 0.438 0.000 1.148 360 V HN 0.278 nan 8.190 nan 0.000 0.453 361 A N 0.964 123.903 122.820 0.197 0.000 2.304 361 A HA 0.612 4.924 4.320 -0.014 0.000 0.271 361 A C 0.031 177.664 177.584 0.082 0.000 1.091 361 A CA -0.428 51.674 52.037 0.109 0.000 0.812 361 A CB 0.500 19.498 19.000 -0.004 0.000 1.056 361 A HN 1.050 nan 8.150 nan 0.000 0.489 362 E N 0.321 120.548 120.200 0.046 0.000 2.210 362 E HA 0.459 4.801 4.350 -0.014 0.000 0.266 362 E C -0.275 176.307 176.600 -0.030 0.000 0.883 362 E CA -0.544 55.861 56.400 0.009 0.000 0.761 362 E CB 1.250 30.963 29.700 0.022 0.000 1.156 362 E HN 0.789 nan 8.360 nan 0.000 0.412 363 T N 0.622 115.132 114.554 -0.072 0.000 2.874 363 T HA 0.108 4.450 4.350 -0.014 0.000 0.281 363 T C 1.340 175.983 174.700 -0.095 0.000 0.994 363 T CA -0.076 61.956 62.100 -0.112 0.000 1.015 363 T CB 1.449 70.222 68.868 -0.158 0.000 1.028 363 T HN 0.444 nan 8.240 nan 0.000 0.523 364 S N 0.116 115.762 115.700 -0.089 0.000 2.469 364 S HA -0.126 4.336 4.470 -0.014 0.000 0.238 364 S C 1.092 175.640 174.600 -0.086 0.000 0.998 364 S CA 0.836 58.993 58.200 -0.072 0.000 0.957 364 S CB -0.658 62.506 63.200 -0.060 0.000 0.764 364 S HN 0.906 nan 8.310 nan 0.000 0.514 365 D N 0.281 120.614 120.400 -0.112 0.000 2.358 365 D HA 0.296 4.928 4.640 -0.014 0.000 0.224 365 D C 1.166 177.357 176.300 -0.182 0.000 1.123 365 D CA 0.278 54.200 54.000 -0.130 0.000 0.833 365 D CB -0.588 40.135 40.800 -0.128 0.000 0.946 365 D HN 0.536 nan 8.370 nan 0.000 0.505 366 G N -0.835 107.860 108.800 -0.175 0.000 2.149 366 G HA2 -0.081 3.871 3.960 -0.014 0.000 0.235 366 G HA3 -0.081 3.871 3.960 -0.014 0.000 0.235 366 G C 0.490 175.188 174.900 -0.338 0.000 1.018 366 G CA -0.136 44.836 45.100 -0.213 0.000 0.728 366 G HN 0.792 nan 8.290 nan 0.000 0.508 367 G N -1.619 107.003 108.800 -0.298 0.000 2.753 367 G HA2 0.934 4.885 3.960 -0.014 0.000 0.285 367 G HA3 0.934 4.885 3.960 -0.014 0.000 0.285 367 G C 0.124 174.984 174.900 -0.066 0.000 1.344 367 G CA 0.122 45.051 45.100 -0.285 0.000 1.050 367 G HN 1.536 nan 8.290 nan 0.000 0.532 368 V N -3.044 116.874 119.914 0.006 0.000 2.919 368 V HA 0.856 4.967 4.120 -0.014 0.000 0.316 368 V C -1.177 174.791 176.094 -0.209 0.000 1.077 368 V CA -1.162 61.049 62.300 -0.147 0.000 0.977 368 V CB 1.600 33.185 31.823 -0.396 0.000 1.039 368 V HN 0.697 nan 8.190 nan 0.000 0.441 369 Y N 2.212 122.288 120.300 -0.372 0.000 2.571 369 Y HA 0.809 5.351 4.550 -0.014 0.000 0.341 369 Y C -1.424 174.330 175.900 -0.243 0.000 1.076 369 Y CA -0.963 56.838 58.100 -0.498 0.000 1.029 369 Y CB 2.303 40.595 38.460 -0.281 0.000 1.308 369 Y HN 1.086 nan 8.280 nan 0.000 0.461 370 W N 1.021 122.136 121.300 -0.309 0.000 3.153 370 W HA 0.619 5.270 4.660 -0.016 0.000 0.316 370 W C -1.431 174.932 176.519 -0.259 0.000 1.255 370 W CA -1.134 56.079 57.345 -0.219 0.000 1.192 370 W CB 0.204 29.584 29.460 -0.134 0.000 1.400 370 W HN 0.345 nan 8.180 nan 0.000 0.568 371 E N 1.075 121.358 120.200 0.139 0.000 2.568 371 E HA 0.360 4.702 4.350 -0.014 0.000 0.262 371 E C 1.233 177.939 176.600 0.176 0.000 0.961 371 E CA 2.511 58.979 56.400 0.113 0.000 0.945 371 E CB 0.178 29.935 29.700 0.096 0.000 0.924 371 E HN 1.166 nan 8.360 nan 0.000 0.467 372 G N 2.922 111.775 108.800 0.089 0.000 2.162 372 G HA2 -0.350 3.601 3.960 -0.014 0.000 0.260 372 G HA3 -0.350 3.601 3.960 -0.014 0.000 0.260 372 G C 0.884 175.826 174.900 0.070 0.000 0.976 372 G CA 0.357 45.506 45.100 0.083 0.000 0.655 372 G HN 0.622 nan 8.290 nan 0.000 0.533 373 I N -0.030 120.497 120.570 -0.071 0.000 2.493 373 I HA 0.018 4.180 4.170 -0.014 0.000 0.254 373 I C 1.056 177.055 176.117 -0.196 0.000 1.160 373 I CA 1.430 62.584 61.300 -0.244 0.000 1.445 373 I CB -0.059 37.324 38.000 -1.029 0.000 1.086 373 I HN 0.210 nan 8.210 nan 0.000 0.433 374 D N 2.486 122.791 120.400 -0.158 0.000 2.723 374 D HA -0.228 4.404 4.640 -0.014 0.000 0.236 374 D C -0.085 176.171 176.300 -0.073 0.000 1.138 374 D CA 0.980 54.931 54.000 -0.083 0.000 0.676 374 D CB -0.892 39.866 40.800 -0.070 0.000 1.069 374 D HN 0.633 nan 8.370 nan 0.000 0.430 375 E N 0.430 120.585 120.200 -0.075 0.000 2.302 375 E HA 0.314 4.656 4.350 -0.014 0.000 0.263 375 E C -2.457 174.194 176.600 0.085 0.000 0.897 375 E CA -1.484 54.903 56.400 -0.022 0.000 0.809 375 E CB 1.814 31.472 29.700 -0.069 0.000 1.270 375 E HN -0.107 nan 8.360 nan 0.000 0.410 376 P HA 0.170 nan 4.420 nan 0.000 0.274 376 P C -0.617 176.719 177.300 0.060 0.000 1.237 376 P CA -0.268 62.883 63.100 0.085 0.000 0.793 376 P CB 0.931 32.653 31.700 0.036 0.000 0.977 377 L N 0.832 122.061 121.223 0.010 0.000 2.343 377 L HA 0.517 4.849 4.340 -0.014 0.000 0.275 377 L C 0.960 177.801 176.870 -0.048 0.000 1.056 377 L CA -1.196 53.610 54.840 -0.057 0.000 0.804 377 L CB 1.015 42.970 42.059 -0.174 0.000 1.203 377 L HN 0.426 nan 8.230 nan 0.000 0.440 378 A N 3.443 126.234 122.820 -0.049 0.000 2.520 378 A HA 0.304 4.616 4.320 -0.014 0.000 0.235 378 A C -2.207 175.348 177.584 -0.047 0.000 1.065 378 A CA -0.773 51.238 52.037 -0.042 0.000 0.764 378 A CB -0.771 18.203 19.000 -0.043 0.000 1.002 378 A HN 0.470 nan 8.150 nan 0.000 0.502 379 P HA 0.286 nan 4.420 nan 0.000 0.264 379 P C 1.076 178.350 177.300 -0.042 0.000 1.183 379 P CA 1.635 64.712 63.100 -0.038 0.000 0.763 379 P CB 0.649 32.331 31.700 -0.031 0.000 0.807 380 G N 1.179 109.951 108.800 -0.046 0.000 2.313 380 G HA2 -0.214 3.737 3.960 -0.014 0.000 0.215 380 G HA3 -0.214 3.737 3.960 -0.014 0.000 0.215 380 G C 0.028 174.895 174.900 -0.055 0.000 1.023 380 G CA -0.193 44.880 45.100 -0.046 0.000 0.626 380 G HN 0.547 nan 8.290 nan 0.000 0.503 381 V N 3.332 123.205 119.914 -0.069 0.000 2.572 381 V HA 0.531 4.643 4.120 -0.014 0.000 0.291 381 V C 1.092 177.130 176.094 -0.094 0.000 1.039 381 V CA 0.788 63.036 62.300 -0.087 0.000 1.055 381 V CB 0.931 32.688 31.823 -0.109 0.000 0.969 381 V HN 0.847 nan 8.190 nan 0.000 0.482 382 T N 3.255 117.761 114.554 -0.080 0.000 2.949 382 T HA 0.817 5.158 4.350 -0.014 0.000 0.287 382 T C -0.606 174.059 174.700 -0.058 0.000 1.034 382 T CA -0.802 61.264 62.100 -0.058 0.000 1.018 382 T CB 1.857 70.707 68.868 -0.029 0.000 1.135 382 T HN 0.298 nan 8.240 nan 0.000 0.532 383 I N 0.959 121.534 120.570 0.008 0.000 2.465 383 I HA 0.383 4.544 4.170 -0.014 0.000 0.291 383 I C -0.265 175.916 176.117 0.107 0.000 1.014 383 I CA -0.767 60.561 61.300 0.046 0.000 1.093 383 I CB 2.408 40.496 38.000 0.145 0.000 1.267 383 I HN 0.668 nan 8.210 nan 0.000 0.431 384 T N 4.119 118.709 114.554 0.061 0.000 2.771 384 T HA 0.300 4.641 4.350 -0.014 0.000 0.281 384 T C 0.260 174.993 174.700 0.056 0.000 0.982 384 T CA -0.637 61.506 62.100 0.072 0.000 0.978 384 T CB 1.220 70.113 68.868 0.042 0.000 0.930 384 T HN 0.742 nan 8.240 nan 0.000 0.447 385 S N 3.697 119.432 115.700 0.059 0.000 2.606 385 S HA 0.095 4.557 4.470 -0.014 0.000 0.257 385 S C 1.547 176.177 174.600 0.049 0.000 1.327 385 S CA -0.880 57.308 58.200 -0.019 0.000 0.984 385 S CB 0.310 63.480 63.200 -0.051 0.000 0.941 385 S HN 0.930 nan 8.310 nan 0.000 0.576 386 W N 0.648 121.920 121.300 -0.047 0.000 2.538 386 W HA 0.055 4.706 4.660 -0.013 0.000 0.254 386 W C 0.391 176.916 176.519 0.009 0.000 1.249 386 W CA 0.575 57.921 57.345 0.002 0.000 1.253 386 W CB -0.753 28.718 29.460 0.020 0.000 1.130 386 W HN 0.642 nan 8.180 nan 0.000 0.618 387 K N 1.129 121.100 120.400 -0.714 0.000 2.437 387 K HA -0.049 4.263 4.320 -0.014 0.000 0.198 387 K C 0.301 176.734 176.600 -0.278 0.000 1.024 387 K CA 0.192 56.071 56.287 -0.681 0.000 1.148 387 K CB -0.449 31.629 32.500 -0.704 0.000 0.860 387 K HN -0.093 nan 8.250 nan 0.000 0.515 388 N N 1.864 120.479 118.700 -0.141 0.000 2.780 388 N HA -0.157 4.574 4.740 -0.014 0.000 0.248 388 N C -1.506 173.985 175.510 -0.033 0.000 1.102 388 N CA 0.917 53.936 53.050 -0.051 0.000 0.697 388 N CB -0.722 37.742 38.487 -0.039 0.000 1.028 388 N HN 0.213 nan 8.380 nan 0.000 0.554 389 K N 0.054 120.443 120.400 -0.018 0.000 2.375 389 K HA 0.276 4.588 4.320 -0.014 0.000 0.249 389 K C -0.300 176.349 176.600 0.082 0.000 0.942 389 K CA -0.941 55.359 56.287 0.020 0.000 0.806 389 K CB 1.397 33.905 32.500 0.012 0.000 1.227 389 K HN 0.037 nan 8.250 nan 0.000 0.430 390 E N 1.095 121.341 120.200 0.077 0.000 2.442 390 E HA -0.031 4.310 4.350 -0.014 0.000 0.262 390 E C -0.996 175.720 176.600 0.193 0.000 1.004 390 E CA 0.631 57.095 56.400 0.107 0.000 0.928 390 E CB 0.590 30.320 29.700 0.050 0.000 0.937 390 E HN 0.441 nan 8.360 nan 0.000 0.446 391 W N 2.684 123.979 121.300 -0.008 0.000 3.138 391 W HA 0.356 5.007 4.660 -0.014 0.000 0.331 391 W C -0.845 175.672 176.519 -0.003 0.000 1.166 391 W CA -0.587 56.763 57.345 0.008 0.000 1.212 391 W CB 1.154 30.637 29.460 0.038 0.000 1.399 391 W HN 0.322 nan 8.180 nan 0.000 0.514 392 R N 4.764 124.794 120.500 -0.784 0.000 2.670 392 R HA 0.352 4.683 4.340 -0.014 0.000 0.289 392 R C -1.998 173.521 176.300 -1.302 0.000 0.965 392 R CA -1.733 53.937 56.100 -0.716 0.000 0.899 392 R CB 1.928 31.991 30.300 -0.395 0.000 1.173 392 R HN 0.164 nan 8.270 nan 0.000 0.456 393 P HA -0.156 nan 4.420 nan 0.000 0.226 393 P C 0.612 177.711 177.300 -0.335 0.000 1.146 393 P CA 0.992 63.825 63.100 -0.444 0.000 0.773 393 P CB 0.383 32.072 31.700 -0.019 0.000 0.772 394 Q N -0.890 118.684 119.800 -0.376 0.000 2.319 394 Q HA 0.079 4.411 4.340 -0.014 0.000 0.202 394 Q C 0.025 175.887 176.000 -0.230 0.000 0.896 394 Q CA 0.200 55.871 55.803 -0.220 0.000 0.942 394 Q CB -0.472 28.172 28.738 -0.157 0.000 1.083 394 Q HN 0.182 nan 8.270 nan 0.000 0.510 395 D N -0.379 119.783 120.400 -0.397 0.000 2.377 395 D HA -0.047 4.585 4.640 -0.014 0.000 0.245 395 D C 0.957 177.220 176.300 -0.061 0.000 1.196 395 D CA -0.023 53.814 54.000 -0.270 0.000 0.962 395 D CB 0.676 41.209 40.800 -0.445 0.000 1.127 395 D HN 0.181 nan 8.370 nan 0.000 0.471 396 E N 0.359 120.568 120.200 0.016 0.000 2.016 396 E HA -0.135 4.207 4.350 -0.014 0.000 0.190 396 E C 0.023 176.730 176.600 0.178 0.000 0.985 396 E CA 0.635 57.084 56.400 0.081 0.000 0.802 396 E CB 0.189 29.927 29.700 0.063 0.000 0.762 396 E HN 0.428 nan 8.360 nan 0.000 0.448 397 E N 1.751 122.097 120.200 0.243 0.000 2.383 397 E HA 0.094 4.436 4.350 -0.014 0.000 0.264 397 E C -2.224 174.669 176.600 0.489 0.000 1.050 397 E CA -2.006 54.585 56.400 0.318 0.000 0.896 397 E CB 0.824 30.709 29.700 0.309 0.000 0.982 397 E HN 0.227 nan 8.360 nan 0.000 0.424 398 P HA -0.059 nan 4.420 nan 0.000 0.272 398 P C 0.781 178.106 177.300 0.041 0.000 1.223 398 P CA -0.050 63.186 63.100 0.227 0.000 0.784 398 P CB 0.571 32.322 31.700 0.084 0.000 0.923 399 C N 0.397 119.385 119.300 -0.520 0.000 2.464 399 C HA 0.448 4.900 4.460 -0.014 0.000 0.278 399 C C 1.113 176.029 174.990 -0.123 0.000 1.375 399 C CA 0.292 58.715 59.018 -0.991 0.000 1.761 399 C CB -1.338 25.353 27.740 -1.748 0.000 1.944 399 C HN 0.613 nan 8.230 nan 0.000 0.509 400 A N 0.113 122.898 122.820 -0.058 0.000 2.355 400 A HA 0.568 4.880 4.320 -0.014 0.000 0.324 400 A C -0.344 176.970 177.584 -0.451 0.000 1.117 400 A CA -0.362 51.628 52.037 -0.078 0.000 0.785 400 A CB 0.119 19.145 19.000 0.043 0.000 1.254 400 A HN 0.591 nan 8.150 nan 0.000 0.453 401 H N 1.936 120.310 119.070 -1.160 0.000 2.871 401 H HA 0.078 4.626 4.556 -0.014 0.000 0.355 401 H C -1.763 173.254 175.328 -0.519 0.000 1.092 401 H CA -0.676 54.676 56.048 -1.160 0.000 1.420 401 H CB 1.214 30.049 29.762 -1.544 0.000 1.400 401 H HN 0.267 nan 8.280 nan 0.000 0.604 402 P HA -0.095 nan 4.420 nan 0.000 0.222 402 P C 0.604 177.755 177.300 -0.248 0.000 1.147 402 P CA 1.276 64.111 63.100 -0.442 0.000 0.790 402 P CB 0.260 31.707 31.700 -0.422 0.000 0.780 403 N N -1.021 117.635 118.700 -0.074 0.000 2.238 403 N HA 0.018 4.750 4.740 -0.014 0.000 0.222 403 N C -0.384 175.125 175.510 -0.001 0.000 1.133 403 N CA -0.204 52.855 53.050 0.015 0.000 0.854 403 N CB -0.169 38.359 38.487 0.068 0.000 1.041 403 N HN -0.070 nan 8.380 nan 0.000 0.510 404 S N -0.152 115.508 115.700 -0.068 0.000 2.573 404 S HA 0.298 4.759 4.470 -0.014 0.000 0.277 404 S C 0.129 174.608 174.600 -0.201 0.000 1.346 404 S CA -0.309 57.840 58.200 -0.086 0.000 1.034 404 S CB 1.109 64.252 63.200 -0.095 0.000 0.879 404 S HN 0.141 nan 8.310 nan 0.000 0.528 405 R N 0.626 120.997 120.500 -0.215 0.000 2.808 405 R HA 0.511 4.843 4.340 -0.014 0.000 0.272 405 R C -1.051 175.057 176.300 -0.320 0.000 0.995 405 R CA -0.664 55.117 56.100 -0.533 0.000 0.917 405 R CB 1.424 31.076 30.300 -1.081 0.000 1.217 405 R HN 0.780 nan 8.270 nan 0.000 0.471 406 F N -1.295 118.426 119.950 -0.381 0.000 2.470 406 F HA 0.707 5.226 4.527 -0.013 0.000 0.329 406 F C -0.205 175.419 175.800 -0.294 0.000 1.072 406 F CA -1.422 56.314 58.000 -0.440 0.000 0.989 406 F CB 1.206 39.881 39.000 -0.542 0.000 1.193 406 F HN 0.332 nan 8.300 nan 0.000 0.481 407 C N 2.765 122.087 119.300 0.037 0.000 2.407 407 C HA 0.760 5.211 4.460 -0.014 0.000 0.328 407 C C -0.694 174.353 174.990 0.095 0.000 1.137 407 C CA 0.104 59.215 59.018 0.154 0.000 1.390 407 C CB -0.011 27.832 27.740 0.171 0.000 1.989 407 C HN 1.097 nan 8.230 nan 0.000 0.432 408 T N 6.782 121.424 114.554 0.147 0.000 2.912 408 T HA 0.634 4.976 4.350 -0.014 0.000 0.299 408 T C -2.996 171.686 174.700 -0.030 0.000 1.052 408 T CA -0.948 61.196 62.100 0.074 0.000 0.996 408 T CB 1.964 70.895 68.868 0.106 0.000 1.070 408 T HN 0.469 nan 8.240 nan 0.000 0.465 409 P HA 0.289 nan 4.420 nan 0.000 0.271 409 P C -0.017 177.099 177.300 -0.306 0.000 1.216 409 P CA -0.179 62.822 63.100 -0.165 0.000 0.771 409 P CB 0.677 32.327 31.700 -0.083 0.000 0.864 410 A N 3.058 125.522 122.820 -0.594 0.000 1.969 410 A HA -0.142 4.170 4.320 -0.014 0.000 0.218 410 A C 2.056 179.228 177.584 -0.685 0.000 1.169 410 A CA 1.923 53.364 52.037 -0.993 0.000 0.635 410 A CB -1.506 16.596 19.000 -1.496 0.000 0.810 410 A HN 0.579 nan 8.150 nan 0.000 0.445 411 S N -0.378 115.084 115.700 -0.396 0.000 2.442 411 S HA -0.223 4.239 4.470 -0.014 0.000 0.236 411 S C 1.691 176.235 174.600 -0.093 0.000 1.007 411 S CA 1.385 59.498 58.200 -0.145 0.000 0.965 411 S CB -0.457 62.806 63.200 0.104 0.000 0.773 411 S HN 0.701 nan 8.310 nan 0.000 0.504 412 Q N -0.106 119.643 119.800 -0.086 0.000 2.432 412 Q HA 0.157 4.489 4.340 -0.014 0.000 0.205 412 Q C 0.850 176.838 176.000 -0.020 0.000 0.945 412 Q CA 0.176 55.960 55.803 -0.030 0.000 0.924 412 Q CB -0.103 28.627 28.738 -0.015 0.000 1.016 412 Q HN 0.677 nan 8.270 nan 0.000 0.503 413 C N 2.865 122.156 119.300 -0.015 0.000 2.648 413 C HA 0.097 4.548 4.460 -0.014 0.000 0.415 413 C C -0.924 174.056 174.990 -0.018 0.000 1.366 413 C CA -1.617 57.413 59.018 0.019 0.000 1.756 413 C CB 0.471 28.277 27.740 0.111 0.000 2.549 413 C HN 0.342 nan 8.230 nan 0.000 0.597 414 P HA -0.038 nan 4.420 nan 0.000 0.230 414 P C 0.553 177.849 177.300 -0.007 0.000 1.158 414 P CA 1.338 64.431 63.100 -0.011 0.000 0.769 414 P CB -0.206 31.485 31.700 -0.014 0.000 0.807 415 I N -4.422 116.140 120.570 -0.014 0.000 3.762 415 I HA 0.349 4.510 4.170 -0.014 0.000 0.333 415 I C 0.337 176.457 176.117 0.005 0.000 1.566 415 I CA -1.078 60.221 61.300 -0.001 0.000 1.129 415 I CB -0.250 37.747 38.000 -0.005 0.000 1.218 415 I HN -0.339 nan 8.210 nan 0.000 0.456 416 I N 2.230 122.787 120.570 -0.020 0.000 2.710 416 I HA 0.050 4.211 4.170 -0.014 0.000 0.286 416 I C 0.448 176.598 176.117 0.056 0.000 1.181 416 I CA 0.462 61.723 61.300 -0.065 0.000 1.430 416 I CB 0.403 38.219 38.000 -0.307 0.000 1.367 416 I HN 0.345 nan 8.210 nan 0.000 0.577 417 D N 8.645 129.135 120.400 0.150 0.000 2.382 417 D HA 0.185 4.816 4.640 -0.014 0.000 0.245 417 D C -1.571 174.923 176.300 0.325 0.000 1.120 417 D CA -1.135 53.013 54.000 0.246 0.000 0.890 417 D CB 1.102 42.106 40.800 0.340 0.000 1.201 417 D HN 0.355 nan 8.370 nan 0.000 0.433 418 P HA -0.114 nan 4.420 nan 0.000 0.221 418 P C 0.203 177.628 177.300 0.209 0.000 1.145 418 P CA 0.784 64.016 63.100 0.221 0.000 0.795 418 P CB 0.109 31.899 31.700 0.150 0.000 0.775 419 A N -0.391 122.567 122.820 0.229 0.000 2.460 419 A HA 0.085 4.397 4.320 -0.014 0.000 0.258 419 A C 1.623 179.263 177.584 0.094 0.000 1.300 419 A CA -0.667 51.440 52.037 0.118 0.000 0.913 419 A CB -1.423 17.635 19.000 0.096 0.000 1.031 419 A HN 0.331 nan 8.150 nan 0.000 0.512 420 W N 0.420 121.748 121.300 0.045 0.000 2.611 420 W HA 0.011 4.662 4.660 -0.015 0.000 0.251 420 W C -0.052 176.454 176.519 -0.021 0.000 1.265 420 W CA 1.167 58.528 57.345 0.027 0.000 1.295 420 W CB -0.278 29.216 29.460 0.057 0.000 1.129 420 W HN 0.509 nan 8.180 nan 0.000 0.630 421 E N 0.783 120.546 120.200 -0.729 0.000 2.630 421 E HA 0.078 4.420 4.350 -0.014 0.000 0.218 421 E C 0.100 176.469 176.600 -0.385 0.000 0.977 421 E CA -0.127 55.810 56.400 -0.772 0.000 1.038 421 E CB 0.584 29.692 29.700 -0.988 0.000 1.051 421 E HN -0.105 nan 8.360 nan 0.000 0.487 422 S N 3.538 119.092 115.700 -0.244 0.000 2.544 422 S HA 0.002 4.464 4.470 -0.014 0.000 0.290 422 S C -1.323 173.184 174.600 -0.156 0.000 1.276 422 S CA -0.769 57.336 58.200 -0.159 0.000 1.075 422 S CB 0.611 63.746 63.200 -0.107 0.000 0.849 422 S HN 0.189 nan 8.310 nan 0.000 0.494 423 P HA -0.128 nan 4.420 nan 0.000 0.221 423 P C 1.196 178.434 177.300 -0.103 0.000 1.150 423 P CA 0.821 63.849 63.100 -0.121 0.000 0.800 423 P CB 0.124 31.764 31.700 -0.100 0.000 0.787 424 E N 0.674 120.818 120.200 -0.094 0.000 2.482 424 E HA 0.074 4.416 4.350 -0.014 0.000 0.196 424 E C 0.970 177.512 176.600 -0.097 0.000 1.047 424 E CA 0.802 57.151 56.400 -0.085 0.000 0.869 424 E CB -0.833 28.826 29.700 -0.069 0.000 0.836 424 E HN 0.162 nan 8.360 nan 0.000 0.520 425 G N 0.621 109.352 108.800 -0.115 0.000 2.829 425 G HA2 -0.210 3.742 3.960 -0.014 0.000 0.628 425 G HA3 -0.210 3.742 3.960 -0.014 0.000 0.628 425 G C -0.129 174.658 174.900 -0.189 0.000 1.412 425 G CA -0.110 44.910 45.100 -0.133 0.000 0.864 425 G HN 0.749 nan 8.290 nan 0.000 0.544 426 V N -1.955 117.791 119.914 -0.280 0.000 2.630 426 V HA 0.884 4.996 4.120 -0.014 0.000 0.305 426 V C -2.100 173.777 176.094 -0.361 0.000 1.046 426 V CA -1.939 60.040 62.300 -0.535 0.000 0.934 426 V CB 2.156 33.278 31.823 -1.169 0.000 1.003 426 V HN 0.889 nan 8.190 nan 0.000 0.451 427 P HA 0.406 nan 4.420 nan 0.000 0.292 427 P C -0.750 176.570 177.300 0.033 0.000 1.326 427 P CA -0.233 62.828 63.100 -0.065 0.000 0.787 427 P CB 1.031 32.733 31.700 0.004 0.000 0.903 428 I N 4.167 124.749 120.570 0.020 0.000 2.352 428 I HA 0.142 4.303 4.170 -0.014 0.000 0.290 428 I C 1.401 177.576 176.117 0.097 0.000 1.036 428 I CA 0.070 61.421 61.300 0.084 0.000 1.336 428 I CB 0.375 38.405 38.000 0.050 0.000 1.407 428 I HN 0.417 nan 8.210 nan 0.000 0.497 429 E N 3.753 124.024 120.200 0.119 0.000 2.473 429 E HA 0.259 4.600 4.350 -0.014 0.000 0.204 429 E C 0.738 177.421 176.600 0.137 0.000 0.994 429 E CA -0.108 56.351 56.400 0.100 0.000 0.945 429 E CB 1.069 30.794 29.700 0.041 0.000 0.990 429 E HN 0.788 nan 8.360 nan 0.000 0.493 430 G N 0.931 109.833 108.800 0.170 0.000 2.733 430 G HA2 0.595 4.546 3.960 -0.014 0.000 0.297 430 G HA3 0.595 4.546 3.960 -0.014 0.000 0.297 430 G C -1.307 173.702 174.900 0.182 0.000 1.422 430 G CA -0.621 44.620 45.100 0.236 0.000 0.942 430 G HN -0.041 nan 8.290 nan 0.000 0.510 431 I N 1.412 122.063 120.570 0.134 0.000 2.465 431 I HA 0.454 4.616 4.170 -0.014 0.000 0.291 431 I C -0.559 175.449 176.117 -0.181 0.000 1.014 431 I CA -0.762 60.513 61.300 -0.043 0.000 1.093 431 I CB 2.161 40.133 38.000 -0.046 0.000 1.267 431 I HN 0.213 nan 8.210 nan 0.000 0.431 432 I N 5.716 126.123 120.570 -0.272 0.000 2.404 432 I HA 0.426 4.588 4.170 -0.014 0.000 0.293 432 I C -0.886 174.958 176.117 -0.456 0.000 0.992 432 I CA -0.463 60.700 61.300 -0.228 0.000 1.149 432 I CB 1.424 39.393 38.000 -0.052 0.000 1.315 432 I HN 0.271 nan 8.210 nan 0.000 0.446 433 F N 2.878 122.779 119.950 -0.083 0.000 2.523 433 F HA 0.899 5.418 4.527 -0.013 0.000 0.329 433 F C 0.697 176.300 175.800 -0.328 0.000 1.061 433 F CA -0.881 57.029 58.000 -0.150 0.000 0.967 433 F CB 2.132 41.033 39.000 -0.164 0.000 1.218 433 F HN 0.489 nan 8.300 nan 0.000 0.480 434 G N -0.542 108.253 108.800 -0.008 0.000 2.355 434 G HA2 0.547 4.499 3.960 -0.014 0.000 0.296 434 G HA3 0.547 4.499 3.960 -0.014 0.000 0.296 434 G C -1.357 173.394 174.900 -0.249 0.000 1.507 434 G CA -0.056 44.747 45.100 -0.495 0.000 0.823 434 G HN 1.040 nan 8.290 nan 0.000 0.569 435 G N -0.944 107.656 108.800 -0.334 0.000 2.706 435 G HA2 0.622 4.574 3.960 -0.014 0.000 0.307 435 G HA3 0.622 4.574 3.960 -0.014 0.000 0.307 435 G C -1.280 173.466 174.900 -0.256 0.000 1.307 435 G CA -0.959 43.989 45.100 -0.255 0.000 0.790 435 G HN 0.593 nan 8.290 nan 0.000 0.503 436 R N 1.024 121.303 120.500 -0.368 0.000 2.205 436 R HA 0.438 4.770 4.340 -0.014 0.000 0.342 436 R C -0.573 175.649 176.300 -0.130 0.000 1.058 436 R CA -0.385 55.451 56.100 -0.439 0.000 0.904 436 R CB 0.707 30.591 30.300 -0.694 0.000 1.089 436 R HN 0.105 nan 8.270 nan 0.000 0.471 437 R N 4.204 124.718 120.500 0.023 0.000 2.412 437 R HA 0.189 4.521 4.340 -0.014 0.000 0.304 437 R C -2.024 174.313 176.300 0.062 0.000 1.066 437 R CA -2.170 53.944 56.100 0.025 0.000 0.923 437 R CB 1.560 31.877 30.300 0.029 0.000 1.156 437 R HN 0.410 nan 8.270 nan 0.000 0.513 438 P HA -0.063 nan 4.420 nan 0.000 0.222 438 P C -0.056 177.239 177.300 -0.009 0.000 1.147 438 P CA 0.883 64.019 63.100 0.060 0.000 0.790 438 P CB 0.578 32.295 31.700 0.027 0.000 0.780 439 A N -1.960 120.816 122.820 -0.072 0.000 2.469 439 A HA 0.657 4.969 4.320 -0.014 0.000 0.299 439 A C 1.014 178.253 177.584 -0.576 0.000 1.098 439 A CA -0.024 51.887 52.037 -0.211 0.000 0.737 439 A CB 1.122 20.055 19.000 -0.111 0.000 1.312 439 A HN 0.178 nan 8.150 nan 0.000 0.414 440 G N -0.680 107.600 108.800 -0.867 0.000 2.458 440 G HA2 -0.190 3.762 3.960 -0.014 0.000 0.237 440 G HA3 -0.190 3.762 3.960 -0.014 0.000 0.237 440 G C 0.360 174.760 174.900 -0.832 0.000 1.113 440 G CA 0.452 44.499 45.100 -1.754 0.000 0.655 440 G HN 1.674 nan 8.290 nan 0.000 0.513 441 V N 3.707 123.375 119.914 -0.410 0.000 2.406 441 V HA 0.471 4.583 4.120 -0.014 0.000 0.272 441 V C -1.486 174.631 176.094 0.039 0.000 1.043 441 V CA -1.368 60.968 62.300 0.059 0.000 0.915 441 V CB 1.447 33.362 31.823 0.154 0.000 0.988 441 V HN 0.181 nan 8.190 nan 0.000 0.466 442 P HA 0.021 nan 4.420 nan 0.000 0.269 442 P C 0.833 177.993 177.300 -0.233 0.000 1.217 442 P CA -0.273 62.755 63.100 -0.121 0.000 0.783 442 P CB 0.610 32.341 31.700 0.051 0.000 0.898 443 L N 3.217 124.012 121.223 -0.713 0.000 2.043 443 L HA -0.052 4.279 4.340 -0.014 0.000 0.212 443 L C 0.532 177.211 176.870 -0.318 0.000 1.075 443 L CA 2.085 56.546 54.840 -0.631 0.000 0.752 443 L CB -0.128 41.307 42.059 -1.040 0.000 0.891 443 L HN 0.223 nan 8.230 nan 0.000 0.432 444 V N -1.079 118.766 119.914 -0.115 0.000 3.000 444 V HA 0.461 4.573 4.120 -0.014 0.000 0.300 444 V C -1.674 174.639 176.094 0.365 0.000 1.251 444 V CA -0.568 61.799 62.300 0.112 0.000 0.972 444 V CB 1.972 33.850 31.823 0.092 0.000 1.065 444 V HN 0.369 nan 8.190 nan 0.000 0.431 445 Y N 2.179 122.681 120.300 0.337 0.000 2.655 445 Y HA 0.829 5.370 4.550 -0.014 0.000 0.336 445 Y C -0.891 175.358 175.900 0.582 0.000 1.154 445 Y CA -0.985 57.359 58.100 0.406 0.000 1.055 445 Y CB 1.575 40.189 38.460 0.257 0.000 1.295 445 Y HN 0.731 nan 8.280 nan 0.000 0.465 446 E N 1.891 122.548 120.200 0.762 0.000 2.199 446 E HA 0.725 5.066 4.350 -0.014 0.000 0.269 446 E C -0.886 175.988 176.600 0.457 0.000 0.899 446 E CA -1.124 55.566 56.400 0.482 0.000 0.772 446 E CB 1.908 31.913 29.700 0.509 0.000 1.155 446 E HN 1.057 nan 8.360 nan 0.000 0.408 447 A N 3.923 126.891 122.820 0.246 0.000 2.448 447 A HA 0.143 4.455 4.320 -0.014 0.000 0.239 447 A C 0.840 178.687 177.584 0.438 0.000 1.080 447 A CA -0.094 52.158 52.037 0.359 0.000 0.779 447 A CB 0.245 19.314 19.000 0.113 0.000 1.026 447 A HN 0.826 nan 8.150 nan 0.000 0.499 448 L N 0.714 122.282 121.223 0.576 0.000 2.446 448 L HA 0.116 4.448 4.340 -0.014 0.000 0.219 448 L C 0.900 177.934 176.870 0.274 0.000 1.116 448 L CA 1.022 56.047 54.840 0.309 0.000 0.844 448 L CB -0.482 41.573 42.059 -0.007 0.000 0.970 448 L HN 0.900 nan 8.230 nan 0.000 0.457 449 S N -3.779 112.098 115.700 0.295 0.000 2.643 449 S HA 0.027 4.488 4.470 -0.014 0.000 0.266 449 S C -0.179 174.610 174.600 0.314 0.000 1.130 449 S CA -0.918 57.444 58.200 0.270 0.000 0.817 449 S CB 0.189 63.525 63.200 0.227 0.000 1.107 449 S HN 0.190 nan 8.310 nan 0.000 0.471 450 W N 1.153 122.544 121.300 0.152 0.000 2.355 450 W HA -0.137 4.514 4.660 -0.015 0.000 0.309 450 W C 1.544 178.200 176.519 0.228 0.000 1.206 450 W CA 2.369 59.823 57.345 0.182 0.000 1.284 450 W CB -0.414 29.128 29.460 0.137 0.000 1.145 450 W HN 0.867 nan 8.180 nan 0.000 0.502 451 Q N -0.966 119.006 119.800 0.285 0.000 2.084 451 Q HA -0.248 4.083 4.340 -0.014 0.000 0.202 451 Q C 2.268 178.382 176.000 0.190 0.000 0.978 451 Q CA 2.104 58.032 55.803 0.208 0.000 0.844 451 Q CB -1.302 27.577 28.738 0.236 0.000 0.898 451 Q HN 0.489 nan 8.270 nan 0.000 0.426 452 H N -0.664 118.471 119.070 0.108 0.000 2.353 452 H HA -0.086 4.462 4.556 -0.014 0.000 0.300 452 H C 1.868 177.297 175.328 0.168 0.000 1.090 452 H CA 1.192 57.316 56.048 0.126 0.000 1.327 452 H CB -0.004 29.812 29.762 0.089 0.000 1.383 452 H HN 0.381 nan 8.280 nan 0.000 0.508 453 G N 0.296 109.072 108.800 -0.039 0.000 2.418 453 G HA2 -0.205 3.747 3.960 -0.014 0.000 0.217 453 G HA3 -0.205 3.747 3.960 -0.014 0.000 0.217 453 G C 1.852 176.636 174.900 -0.193 0.000 1.158 453 G CA 0.952 45.966 45.100 -0.143 0.000 0.771 453 G HN 0.341 nan 8.290 nan 0.000 0.545 454 V N 0.459 120.245 119.914 -0.215 0.000 2.358 454 V HA -0.116 3.995 4.120 -0.014 0.000 0.246 454 V C 2.309 178.370 176.094 -0.055 0.000 1.047 454 V CA 1.723 63.957 62.300 -0.110 0.000 1.035 454 V CB -0.646 31.192 31.823 0.025 0.000 0.658 454 V HN 0.412 nan 8.190 nan 0.000 0.452 455 F N 0.831 120.722 119.950 -0.098 0.000 2.126 455 F HA -0.191 4.328 4.527 -0.014 0.000 0.299 455 F C 2.198 177.897 175.800 -0.168 0.000 1.096 455 F CA 1.817 59.783 58.000 -0.056 0.000 1.255 455 F CB -0.352 38.666 39.000 0.031 0.000 0.997 455 F HN -0.034 nan 8.300 nan 0.000 0.479 456 V N 0.693 120.426 119.914 -0.301 0.000 2.343 456 V HA -0.257 3.855 4.120 -0.014 0.000 0.247 456 V C 2.776 178.433 176.094 -0.729 0.000 1.051 456 V CA 1.980 64.040 62.300 -0.400 0.000 1.036 456 V CB -1.655 30.060 31.823 -0.180 0.000 0.654 456 V HN 0.575 nan 8.190 nan 0.000 0.451 457 G N -0.407 107.634 108.800 -1.266 0.000 2.421 457 G HA2 -0.224 3.728 3.960 -0.014 0.000 0.216 457 G HA3 -0.224 3.728 3.960 -0.014 0.000 0.216 457 G C 1.758 175.935 174.900 -1.204 0.000 1.171 457 G CA 1.008 44.677 45.100 -2.385 0.000 0.775 457 G HN 0.617 nan 8.290 nan 0.000 0.543 458 A N 0.841 123.358 122.820 -0.505 0.000 1.972 458 A HA 0.341 4.652 4.320 -0.014 0.000 0.219 458 A C 2.570 180.102 177.584 -0.087 0.000 1.169 458 A CA 2.033 54.127 52.037 0.096 0.000 0.635 458 A CB -0.437 18.668 19.000 0.175 0.000 0.810 458 A HN 0.823 nan 8.150 nan 0.000 0.446 459 A N -1.176 121.385 122.820 -0.432 0.000 2.251 459 A HA 0.424 4.735 4.320 -0.014 0.000 0.209 459 A C 0.984 178.417 177.584 -0.250 0.000 1.187 459 A CA -0.282 51.532 52.037 -0.373 0.000 0.823 459 A CB -0.497 18.098 19.000 -0.675 0.000 0.846 459 A HN 0.522 nan 8.150 nan 0.000 0.486 460 M N 0.869 120.315 119.600 -0.256 0.000 2.261 460 M HA 0.080 4.552 4.480 -0.014 0.000 0.350 460 M C 0.272 176.455 176.300 -0.196 0.000 1.343 460 M CA 1.078 56.282 55.300 -0.160 0.000 1.003 460 M CB 0.185 32.687 32.600 -0.163 0.000 1.848 460 M HN 0.317 nan 8.290 nan 0.000 0.456 461 R N 1.025 121.412 120.500 -0.187 0.000 2.808 461 R HA 0.738 5.070 4.340 -0.014 0.000 0.272 461 R C -1.285 174.912 176.300 -0.172 0.000 0.995 461 R CA -0.843 55.087 56.100 -0.284 0.000 0.917 461 R CB 2.460 32.506 30.300 -0.422 0.000 1.217 461 R HN 0.654 nan 8.270 nan 0.000 0.471 462 S N 0.137 115.724 115.700 -0.188 0.000 2.535 462 S HA 0.097 4.558 4.470 -0.014 0.000 0.272 462 S C -1.566 172.938 174.600 -0.160 0.000 1.149 462 S CA -0.766 57.337 58.200 -0.163 0.000 0.888 462 S CB 1.629 64.738 63.200 -0.151 0.000 1.110 462 S HN 0.594 nan 8.310 nan 0.000 0.463 463 E N 2.925 123.028 120.200 -0.162 0.000 2.344 463 E HA 0.507 4.849 4.350 -0.014 0.000 0.270 463 E C 0.625 177.150 176.600 -0.126 0.000 1.021 463 E CA -0.207 56.115 56.400 -0.130 0.000 0.887 463 E CB 0.913 30.544 29.700 -0.116 0.000 0.997 463 E HN 0.726 nan 8.360 nan 0.000 0.429 474 V N 3.703 123.592 119.914 -0.043 0.000 2.604 474 V HA 0.475 4.587 4.120 -0.014 0.000 0.305 474 V C -0.415 175.636 176.094 -0.071 0.000 1.043 474 V CA -0.961 61.310 62.300 -0.048 0.000 0.888 474 V CB 1.759 33.559 31.823 -0.039 0.000 0.995 474 V HN 0.598 nan 8.190 nan 0.000 0.429 475 I N 5.491 126.008 120.570 -0.089 0.000 2.287 475 I HA 0.331 4.493 4.170 -0.014 0.000 0.290 475 I C 0.145 176.158 176.117 -0.173 0.000 1.069 475 I CA 0.022 61.241 61.300 -0.135 0.000 1.237 475 I CB 0.884 38.794 38.000 -0.149 0.000 1.418 475 I HN 0.461 nan 8.210 nan 0.000 0.481 476 M N 4.946 124.446 119.600 -0.166 0.000 2.342 476 M HA 0.307 4.779 4.480 -0.014 0.000 0.332 476 M C 0.312 176.449 176.300 -0.273 0.000 1.166 476 M CA -0.462 54.748 55.300 -0.150 0.000 1.086 476 M CB 0.902 33.450 32.600 -0.087 0.000 1.541 476 M HN 0.364 nan 8.290 nan 0.000 0.462 477 H N 1.233 120.139 119.070 -0.272 0.000 2.610 477 H HA 0.161 4.709 4.556 -0.014 0.000 0.336 477 H C -0.723 174.448 175.328 -0.262 0.000 1.087 477 H CA 0.290 56.086 56.048 -0.421 0.000 1.405 477 H CB 1.003 30.173 29.762 -0.987 0.000 1.460 477 H HN 0.432 nan 8.280 nan 0.000 0.538 478 D N 4.269 124.595 120.400 -0.124 0.000 2.714 478 D HA 0.160 4.792 4.640 -0.014 0.000 0.264 478 D C -2.704 173.569 176.300 -0.046 0.000 1.231 478 D CA -1.839 52.119 54.000 -0.070 0.000 0.802 478 D CB 0.847 41.615 40.800 -0.053 0.000 1.319 478 D HN 0.232 nan 8.370 nan 0.000 0.528 479 P HA 0.039 nan 4.420 nan 0.000 0.263 479 P C 0.241 177.696 177.300 0.258 0.000 1.195 479 P CA -0.020 63.130 63.100 0.084 0.000 0.762 479 P CB 0.017 31.743 31.700 0.043 0.000 0.799 480 F N 1.505 121.385 119.950 -0.116 0.000 3.048 480 F HA -0.296 4.223 4.527 -0.014 0.000 0.287 480 F C 1.464 177.337 175.800 0.121 0.000 0.796 480 F CA 1.095 59.084 58.000 -0.018 0.000 1.111 480 F CB -2.643 36.462 39.000 0.174 0.000 1.320 480 F HN 0.587 nan 8.300 nan 0.000 0.430 481 A N -1.601 121.328 122.820 0.182 0.000 2.816 481 A HA -0.306 4.006 4.320 -0.014 0.000 0.270 481 A C 1.399 179.160 177.584 0.295 0.000 1.413 481 A CA 1.711 53.888 52.037 0.234 0.000 0.866 481 A CB -1.398 17.754 19.000 0.253 0.000 1.032 481 A HN 0.431 nan 8.150 nan 0.000 0.642 482 M N -1.607 117.984 119.600 -0.015 0.000 2.356 482 M HA 0.146 4.618 4.480 -0.014 0.000 0.262 482 M C 1.628 177.336 176.300 -0.987 0.000 1.097 482 M CA 0.450 55.478 55.300 -0.453 0.000 0.991 482 M CB -0.404 31.651 32.600 -0.907 0.000 1.450 482 M HN 0.627 nan 8.290 nan 0.000 0.495 483 R N 1.700 121.888 120.500 -0.521 0.000 2.096 483 R HA -0.146 4.186 4.340 -0.014 0.000 0.240 483 R C -1.029 175.010 176.300 -0.435 0.000 1.139 483 R CA 1.746 57.635 56.100 -0.352 0.000 0.952 483 R CB -0.908 29.311 30.300 -0.136 0.000 0.854 483 R HN 0.172 nan 8.270 nan 0.000 0.436 484 P HA -0.007 nan 4.420 nan 0.000 0.245 484 P C -0.103 176.654 177.300 -0.906 0.000 1.212 484 P CA 0.960 63.543 63.100 -0.862 0.000 0.774 484 P CB 0.143 31.053 31.700 -1.317 0.000 0.999 485 F N -3.603 116.155 119.950 -0.321 0.000 2.817 485 F HA 0.303 4.822 4.527 -0.014 0.000 0.333 485 F C 0.686 176.325 175.800 -0.269 0.000 1.085 485 F CA -0.985 56.844 58.000 -0.285 0.000 1.170 485 F CB -0.608 38.222 39.000 -0.283 0.000 1.066 485 F HN -0.310 nan 8.300 nan 0.000 0.564 486 F N 1.039 120.950 119.950 -0.064 0.000 2.578 486 F HA 0.329 4.847 4.527 -0.014 0.000 0.376 486 F C 1.700 177.465 175.800 -0.058 0.000 1.085 486 F CA -0.112 57.799 58.000 -0.148 0.000 1.260 486 F CB 0.393 39.211 39.000 -0.304 0.000 1.095 486 F HN 0.080 nan 8.300 nan 0.000 0.573 487 G N 2.766 111.710 108.800 0.241 0.000 2.920 487 G HA2 0.143 4.095 3.960 -0.014 0.000 0.208 487 G HA3 0.143 4.095 3.960 -0.014 0.000 0.208 487 G C -0.527 174.575 174.900 0.337 0.000 1.159 487 G CA 0.532 45.783 45.100 0.252 0.000 0.784 487 G HN 0.680 nan 8.290 nan 0.000 0.535 488 Y N -3.056 117.319 120.300 0.125 0.000 2.818 488 Y HA 0.443 4.985 4.550 -0.014 0.000 0.341 488 Y C -0.708 175.224 175.900 0.053 0.000 1.283 488 Y CA -2.284 55.859 58.100 0.072 0.000 1.075 488 Y CB 0.104 38.587 38.460 0.038 0.000 1.370 488 Y HN -0.157 nan 8.280 nan 0.000 0.448 489 N N 1.713 120.444 118.700 0.050 0.000 2.315 489 N HA -0.128 4.604 4.740 -0.014 0.000 0.270 489 N C 0.492 175.842 175.510 -0.266 0.000 1.329 489 N CA 0.430 53.433 53.050 -0.078 0.000 0.860 489 N CB 0.108 38.611 38.487 0.028 0.000 1.095 489 N HN 0.782 nan 8.380 nan 0.000 0.487 490 F N 4.560 124.169 119.950 -0.567 0.000 2.216 490 F HA 0.054 4.572 4.527 -0.014 0.000 0.300 490 F C 1.975 177.561 175.800 -0.357 0.000 1.085 490 F CA 1.601 59.115 58.000 -0.809 0.000 1.326 490 F CB -0.557 37.828 39.000 -1.024 0.000 1.027 490 F HN 0.560 nan 8.300 nan 0.000 0.497 491 G N 0.715 109.281 108.800 -0.391 0.000 2.418 491 G HA2 -0.242 3.709 3.960 -0.014 0.000 0.217 491 G HA3 -0.242 3.709 3.960 -0.014 0.000 0.217 491 G C 1.774 176.573 174.900 -0.167 0.000 1.158 491 G CA 0.635 45.525 45.100 -0.349 0.000 0.771 491 G HN 0.198 nan 8.290 nan 0.000 0.545 492 K N -0.034 120.349 120.400 -0.029 0.000 2.097 492 K HA -0.070 4.242 4.320 -0.014 0.000 0.205 492 K C 2.034 178.803 176.600 0.282 0.000 1.050 492 K CA 0.826 57.201 56.287 0.146 0.000 0.938 492 K CB -0.722 31.932 32.500 0.257 0.000 0.718 492 K HN 0.521 nan 8.250 nan 0.000 0.442 493 Y N 1.834 122.143 120.300 0.015 0.000 2.181 493 Y HA -0.149 4.392 4.550 -0.014 0.000 0.288 493 Y C 1.981 177.953 175.900 0.119 0.000 1.146 493 Y CA 1.290 59.452 58.100 0.103 0.000 1.164 493 Y CB -0.330 37.982 38.460 -0.246 0.000 0.982 493 Y HN -0.104 nan 8.280 nan 0.000 0.515 494 L N -0.088 121.127 121.223 -0.014 0.000 2.046 494 L HA -0.233 4.099 4.340 -0.014 0.000 0.208 494 L C 2.824 179.753 176.870 0.098 0.000 1.077 494 L CA 1.258 56.056 54.840 -0.070 0.000 0.747 494 L CB -1.058 40.829 42.059 -0.288 0.000 0.896 494 L HN 0.363 nan 8.230 nan 0.000 0.432 495 A N -0.735 122.142 122.820 0.095 0.000 1.933 495 A HA -0.292 4.019 4.320 -0.014 0.000 0.218 495 A C 2.096 179.811 177.584 0.218 0.000 1.175 495 A CA 1.930 54.056 52.037 0.149 0.000 0.628 495 A CB -0.780 18.285 19.000 0.108 0.000 0.814 495 A HN 0.517 nan 8.150 nan 0.000 0.444 496 H N -2.182 116.963 119.070 0.125 0.000 2.321 496 H HA -0.171 4.377 4.556 -0.014 0.000 0.300 496 H C 1.752 177.160 175.328 0.135 0.000 1.087 496 H CA 2.101 58.205 56.048 0.093 0.000 1.319 496 H CB -0.378 29.426 29.762 0.069 0.000 1.379 496 H HN 0.611 nan 8.280 nan 0.000 0.501 497 W N 0.552 121.812 121.300 -0.067 0.000 2.358 497 W HA -0.123 4.528 4.660 -0.015 0.000 0.303 497 W C 2.457 179.190 176.519 0.357 0.000 1.208 497 W CA 1.397 58.785 57.345 0.072 0.000 1.274 497 W CB -0.510 28.947 29.460 -0.006 0.000 1.138 497 W HN 0.201 nan 8.180 nan 0.000 0.515 498 L N 0.100 121.629 121.223 0.509 0.000 2.042 498 L HA -0.273 4.059 4.340 -0.014 0.000 0.210 498 L C 2.689 179.836 176.870 0.461 0.000 1.076 498 L CA 1.784 56.940 54.840 0.525 0.000 0.749 498 L CB -1.248 41.028 42.059 0.362 0.000 0.893 498 L HN 0.020 nan 8.230 nan 0.000 0.432 499 S N -0.595 115.283 115.700 0.297 0.000 2.469 499 S HA -0.207 4.255 4.470 -0.014 0.000 0.238 499 S C 1.914 176.574 174.600 0.101 0.000 0.998 499 S CA 0.958 59.293 58.200 0.226 0.000 0.957 499 S CB -0.449 62.821 63.200 0.116 0.000 0.764 499 S HN 0.362 nan 8.310 nan 0.000 0.514 500 M N 1.441 121.065 119.600 0.039 0.000 2.202 500 M HA -0.054 4.418 4.480 -0.014 0.000 0.262 500 M C 2.561 178.588 176.300 -0.454 0.000 1.063 500 M CA 1.584 56.769 55.300 -0.192 0.000 1.097 500 M CB -0.653 31.891 32.600 -0.094 0.000 1.382 500 M HN 0.561 nan 8.290 nan 0.000 0.413 501 A N -1.051 121.508 122.820 -0.435 0.000 2.168 501 A HA -0.112 4.199 4.320 -0.014 0.000 0.215 501 A C 1.473 178.708 177.584 -0.581 0.000 1.152 501 A CA 1.015 52.687 52.037 -0.609 0.000 0.716 501 A CB -0.775 17.945 19.000 -0.467 0.000 0.794 501 A HN 0.523 nan 8.150 nan 0.000 0.465 502 H N -1.373 117.595 119.070 -0.170 0.000 2.586 502 H HA 0.167 4.715 4.556 -0.014 0.000 0.273 502 H C 0.563 175.797 175.328 -0.156 0.000 0.997 502 H CA -0.111 55.864 56.048 -0.122 0.000 1.177 502 H CB 0.142 29.869 29.762 -0.058 0.000 1.471 502 H HN 0.412 nan 8.280 nan 0.000 0.538 503 R N 2.406 122.797 120.500 -0.183 0.000 2.390 503 R HA 0.175 4.507 4.340 -0.014 0.000 0.291 503 R C -2.492 173.665 176.300 -0.239 0.000 1.070 503 R CA -1.493 54.474 56.100 -0.220 0.000 1.014 503 R CB 0.463 30.540 30.300 -0.371 0.000 1.007 503 R HN -0.085 nan 8.270 nan 0.000 0.466 504 P HA 0.010 nan 4.420 nan 0.000 0.262 504 P C -0.524 176.678 177.300 -0.164 0.000 1.199 504 P CA 0.958 63.978 63.100 -0.133 0.000 0.763 504 P CB 1.043 32.693 31.700 -0.084 0.000 0.790 505 A N 3.012 125.739 122.820 -0.156 0.000 3.396 505 A HA -0.165 4.147 4.320 -0.014 0.000 0.267 505 A C 0.969 178.433 177.584 -0.200 0.000 1.139 505 A CA 0.756 52.709 52.037 -0.140 0.000 1.115 505 A CB -2.381 16.566 19.000 -0.089 0.000 1.133 505 A HN 0.762 nan 8.150 nan 0.000 0.920 506 A N 0.090 122.694 122.820 -0.361 0.000 2.546 506 A HA 0.417 4.729 4.320 -0.014 0.000 0.243 506 A C 0.519 177.895 177.584 -0.346 0.000 1.063 506 A CA 1.024 52.700 52.037 -0.602 0.000 0.757 506 A CB -0.048 18.241 19.000 -1.185 0.000 0.991 506 A HN 0.516 nan 8.150 nan 0.000 0.503 507 K N 3.333 123.660 120.400 -0.121 0.000 2.296 507 K HA 0.346 4.658 4.320 -0.014 0.000 0.257 507 K C -0.975 175.662 176.600 0.061 0.000 1.088 507 K CA 0.026 56.304 56.287 -0.014 0.000 0.980 507 K CB 0.623 33.155 32.500 0.054 0.000 1.430 507 K HN 0.636 nan 8.250 nan 0.000 0.441 508 L N 5.241 126.417 121.223 -0.078 0.000 2.367 508 L HA 0.221 4.553 4.340 -0.014 0.000 0.275 508 L C -1.567 175.377 176.870 0.124 0.000 1.129 508 L CA -1.810 52.971 54.840 -0.098 0.000 0.839 508 L CB 0.042 41.865 42.059 -0.394 0.000 1.133 508 L HN 0.345 nan 8.230 nan 0.000 0.453 509 P HA 0.095 nan 4.420 nan 0.000 0.274 509 P C -0.833 176.631 177.300 0.273 0.000 1.237 509 P CA -0.623 62.627 63.100 0.250 0.000 0.793 509 P CB 0.874 32.733 31.700 0.265 0.000 0.977 510 K N 1.288 121.762 120.400 0.125 0.000 2.355 510 K HA 0.281 4.592 4.320 -0.014 0.000 0.270 510 K C -0.284 176.225 176.600 -0.152 0.000 1.003 510 K CA -0.183 56.069 56.287 -0.059 0.000 0.957 510 K CB 0.034 32.419 32.500 -0.191 0.000 0.939 510 K HN 0.384 nan 8.250 nan 0.000 0.482 511 I N 4.541 124.943 120.570 -0.279 0.000 2.404 511 I HA 0.319 4.480 4.170 -0.014 0.000 0.293 511 I C -0.891 174.958 176.117 -0.446 0.000 0.992 511 I CA -0.715 60.443 61.300 -0.238 0.000 1.149 511 I CB 0.974 38.934 38.000 -0.066 0.000 1.315 511 I HN 0.481 nan 8.210 nan 0.000 0.446 512 F N 3.933 123.882 119.950 -0.001 0.000 2.579 512 F HA 0.511 5.031 4.527 -0.012 0.000 0.324 512 F C 0.054 175.805 175.800 -0.082 0.000 1.058 512 F CA -0.704 57.299 58.000 0.004 0.000 0.944 512 F CB 1.548 40.579 39.000 0.053 0.000 1.245 512 F HN 0.369 nan 8.300 nan 0.000 0.477 513 H N 1.415 120.371 119.070 -0.190 0.000 2.600 513 H HA 0.697 5.245 4.556 -0.014 0.000 0.357 513 H C -1.546 173.579 175.328 -0.339 0.000 1.106 513 H CA -0.621 55.217 56.048 -0.351 0.000 1.193 513 H CB 1.997 31.268 29.762 -0.818 0.000 1.594 513 H HN 0.582 nan 8.280 nan 0.000 0.526 514 V N 2.367 121.944 119.914 -0.563 0.000 3.046 514 V HA 0.543 4.654 4.120 -0.014 0.000 0.316 514 V C -0.524 175.169 176.094 -0.668 0.000 1.104 514 V CA -1.086 60.857 62.300 -0.596 0.000 1.006 514 V CB 2.130 33.337 31.823 -1.027 0.000 1.058 514 V HN 0.891 nan 8.190 nan 0.000 0.440 515 N N 1.022 119.394 118.700 -0.546 0.000 2.594 515 N HA 0.331 5.063 4.740 -0.014 0.000 0.280 515 N C -0.475 174.894 175.510 -0.234 0.000 1.156 515 N CA -0.552 52.297 53.050 -0.335 0.000 0.831 515 N CB 1.285 39.725 38.487 -0.077 0.000 1.379 515 N HN 0.928 nan 8.380 nan 0.000 0.536 516 W N 2.240 123.311 121.300 -0.382 0.000 2.937 516 W HA 0.161 4.815 4.660 -0.011 0.000 0.245 516 W C 0.212 176.290 176.519 -0.735 0.000 1.306 516 W CA -0.409 56.531 57.345 -0.675 0.000 1.470 516 W CB 0.210 28.981 29.460 -1.149 0.000 1.132 516 W HN 0.474 nan 8.180 nan 0.000 0.675 517 F N 0.020 119.976 119.950 0.010 0.000 2.683 517 F HA 0.284 4.803 4.527 -0.012 0.000 0.306 517 F C 1.273 177.235 175.800 0.271 0.000 1.102 517 F CA -0.755 57.309 58.000 0.107 0.000 1.244 517 F CB -0.267 38.780 39.000 0.078 0.000 1.029 517 F HN -0.387 nan 8.300 nan 0.000 0.545 518 R N 2.083 122.738 120.500 0.260 0.000 2.570 518 R HA 0.204 4.536 4.340 -0.014 0.000 0.277 518 R C -0.371 176.068 176.300 0.230 0.000 1.039 518 R CA 0.424 56.622 56.100 0.165 0.000 1.065 518 R CB 0.515 30.824 30.300 0.015 0.000 0.964 518 R HN 0.132 nan 8.270 nan 0.000 0.428 519 K N 2.180 122.649 120.400 0.115 0.000 2.328 519 K HA 0.167 4.478 4.320 -0.014 0.000 0.246 519 K C -0.783 175.819 176.600 0.004 0.000 0.955 519 K CA -1.015 55.299 56.287 0.045 0.000 0.817 519 K CB 1.478 33.944 32.500 -0.056 0.000 1.208 519 K HN 0.652 nan 8.250 nan 0.000 0.432 520 D N 1.133 121.532 120.400 -0.002 0.000 2.380 520 D HA -0.061 4.570 4.640 -0.014 0.000 0.254 520 D C 0.977 177.263 176.300 -0.023 0.000 1.288 520 D CA -0.256 53.739 54.000 -0.008 0.000 1.008 520 D CB 0.519 41.320 40.800 0.002 0.000 1.099 520 D HN 0.461 nan 8.370 nan 0.000 0.537 521 K N 0.108 120.498 120.400 -0.017 0.000 2.281 521 K HA -0.205 4.107 4.320 -0.014 0.000 0.203 521 K C 0.172 176.757 176.600 -0.025 0.000 1.046 521 K CA 1.258 57.534 56.287 -0.018 0.000 0.938 521 K CB -0.704 31.789 32.500 -0.010 0.000 0.737 521 K HN 0.509 nan 8.250 nan 0.000 0.458 522 N N 0.256 118.939 118.700 -0.029 0.000 2.235 522 N HA 0.123 4.854 4.740 -0.014 0.000 0.209 522 N C 0.169 175.644 175.510 -0.059 0.000 1.122 522 N CA 0.203 53.231 53.050 -0.036 0.000 0.845 522 N CB 0.886 39.357 38.487 -0.027 0.000 1.004 522 N HN 0.455 nan 8.380 nan 0.000 0.499 523 G N 1.772 110.526 108.800 -0.076 0.000 2.143 523 G HA2 -0.345 3.607 3.960 -0.014 0.000 0.248 523 G HA3 -0.345 3.607 3.960 -0.014 0.000 0.248 523 G C 0.060 174.838 174.900 -0.203 0.000 0.991 523 G CA 0.178 45.200 45.100 -0.131 0.000 0.689 523 G HN 0.419 nan 8.290 nan 0.000 0.522 524 K N 0.050 120.368 120.400 -0.137 0.000 2.174 524 K HA 0.584 4.896 4.320 -0.014 0.000 0.275 524 K C 0.166 176.705 176.600 -0.101 0.000 1.015 524 K CA -0.974 55.236 56.287 -0.128 0.000 0.933 524 K CB 0.311 32.790 32.500 -0.036 0.000 1.025 524 K HN -0.007 nan 8.250 nan 0.000 0.463 525 F N 4.206 124.179 119.950 0.038 0.000 2.578 525 F HA -0.058 4.461 4.527 -0.013 0.000 0.381 525 F C 1.278 177.102 175.800 0.039 0.000 1.069 525 F CA -0.776 57.249 58.000 0.043 0.000 1.231 525 F CB 0.450 39.470 39.000 0.034 0.000 1.086 525 F HN 0.525 nan 8.300 nan 0.000 0.564 526 L N 4.176 125.564 121.223 0.275 0.000 2.291 526 L HA -0.083 4.249 4.340 -0.014 0.000 0.214 526 L C 0.155 177.175 176.870 0.250 0.000 1.120 526 L CA 0.877 55.833 54.840 0.194 0.000 0.799 526 L CB -0.565 41.579 42.059 0.142 0.000 0.925 526 L HN 0.556 nan 8.230 nan 0.000 0.446 527 W N 1.297 122.602 121.300 0.007 0.000 2.739 527 W HA 0.281 4.932 4.660 -0.015 0.000 0.331 527 W C -1.736 174.699 176.519 -0.141 0.000 1.049 527 W CA -1.598 55.696 57.345 -0.085 0.000 1.234 527 W CB 2.244 31.623 29.460 -0.133 0.000 1.404 527 W HN -0.113 nan 8.180 nan 0.000 0.477 528 P HA 0.056 nan 4.420 nan 0.000 0.222 528 P C 0.962 177.917 177.300 -0.576 0.000 1.153 528 P CA 1.594 64.368 63.100 -0.542 0.000 0.798 528 P CB 0.620 32.001 31.700 -0.532 0.000 0.796 529 G N -0.379 107.842 108.800 -0.965 0.000 2.601 529 G HA2 -0.256 3.696 3.960 -0.014 0.000 0.252 529 G HA3 -0.256 3.696 3.960 -0.014 0.000 0.252 529 G C 0.050 174.588 174.900 -0.604 0.000 1.294 529 G CA -0.193 44.421 45.100 -0.810 0.000 0.912 529 G HN 0.140 nan 8.290 nan 0.000 0.574 530 F N -1.905 117.723 119.950 -0.537 0.000 3.078 530 F HA -0.296 4.222 4.527 -0.016 0.000 0.250 530 F C 2.706 178.307 175.800 -0.331 0.000 1.463 530 F CA 2.836 60.613 58.000 -0.371 0.000 1.788 530 F CB -1.713 37.128 39.000 -0.266 0.000 0.886 530 F HN 1.661 nan 8.300 nan 0.000 0.305 531 G N -0.345 108.441 108.800 -0.023 0.000 2.479 531 G HA2 -0.156 3.796 3.960 -0.014 0.000 0.220 531 G HA3 -0.156 3.796 3.960 -0.014 0.000 0.220 531 G C 1.141 175.947 174.900 -0.156 0.000 1.115 531 G CA 1.157 46.203 45.100 -0.091 0.000 0.757 531 G HN 0.570 nan 8.290 nan 0.000 0.560 532 E N 1.151 121.215 120.200 -0.226 0.000 2.347 532 E HA -0.052 4.290 4.350 -0.014 0.000 0.196 532 E C 1.839 178.359 176.600 -0.132 0.000 1.008 532 E CA 0.131 56.372 56.400 -0.265 0.000 0.852 532 E CB -0.211 29.175 29.700 -0.524 0.000 0.783 532 E HN 0.332 nan 8.360 nan 0.000 0.505 533 N N 1.242 119.804 118.700 -0.230 0.000 2.430 533 N HA -0.130 4.602 4.740 -0.014 0.000 0.186 533 N C 1.766 177.189 175.510 -0.144 0.000 1.032 533 N CA 1.133 54.017 53.050 -0.276 0.000 0.893 533 N CB -0.345 37.625 38.487 -0.862 0.000 0.957 533 N HN 0.201 nan 8.380 nan 0.000 0.442 534 S N 0.815 116.424 115.700 -0.153 0.000 2.420 534 S HA -0.132 4.329 4.470 -0.014 0.000 0.237 534 S C 1.812 176.242 174.600 -0.284 0.000 1.023 534 S CA 0.734 58.806 58.200 -0.214 0.000 0.991 534 S CB -0.217 62.845 63.200 -0.230 0.000 0.792 534 S HN 0.321 nan 8.310 nan 0.000 0.488 535 R N 0.378 120.808 120.500 -0.117 0.000 2.115 535 R HA 0.130 4.461 4.340 -0.014 0.000 0.226 535 R C 2.222 178.520 176.300 -0.003 0.000 1.100 535 R CA 1.123 57.187 56.100 -0.060 0.000 0.980 535 R CB -0.533 29.849 30.300 0.136 0.000 0.875 535 R HN 0.347 nan 8.270 nan 0.000 0.445 536 V N 1.359 121.298 119.914 0.041 0.000 2.379 536 V HA -0.158 3.954 4.120 -0.014 0.000 0.245 536 V C 2.181 178.316 176.094 0.068 0.000 1.044 536 V CA 1.449 63.794 62.300 0.075 0.000 1.036 536 V CB -0.325 31.570 31.823 0.119 0.000 0.664 536 V HN 0.264 nan 8.190 nan 0.000 0.453 537 L N 0.085 121.299 121.223 -0.016 0.000 2.083 537 L HA -0.220 4.111 4.340 -0.014 0.000 0.209 537 L C 2.554 179.362 176.870 -0.105 0.000 1.083 537 L CA 2.093 56.904 54.840 -0.049 0.000 0.752 537 L CB -0.695 41.340 42.059 -0.040 0.000 0.899 537 L HN 0.468 nan 8.230 nan 0.000 0.433 538 E N 0.011 120.011 120.200 -0.334 0.000 2.085 538 E HA -0.294 4.047 4.350 -0.014 0.000 0.194 538 E C 2.143 178.768 176.600 0.042 0.000 0.994 538 E CA 1.646 57.803 56.400 -0.405 0.000 0.801 538 E CB -0.261 29.059 29.700 -0.632 0.000 0.743 538 E HN 0.484 nan 8.360 nan 0.000 0.453 539 W N 0.952 122.201 121.300 -0.084 0.000 2.358 539 W HA -0.133 4.517 4.660 -0.016 0.000 0.303 539 W C 2.065 178.584 176.519 -0.000 0.000 1.208 539 W CA 1.806 59.143 57.345 -0.012 0.000 1.274 539 W CB -0.187 29.257 29.460 -0.028 0.000 1.138 539 W HN 0.071 nan 8.180 nan 0.000 0.515 540 M N -0.936 118.583 119.600 -0.135 0.000 2.117 540 M HA -0.185 4.287 4.480 -0.014 0.000 0.262 540 M C 2.148 178.366 176.300 -0.137 0.000 1.065 540 M CA 1.847 56.837 55.300 -0.517 0.000 1.114 540 M CB -1.037 31.085 32.600 -0.797 0.000 1.361 540 M HN 0.033 nan 8.290 nan 0.000 0.408 541 F N 0.947 120.837 119.950 -0.101 0.000 2.134 541 F HA -0.082 4.441 4.527 -0.006 0.000 0.299 541 F C 2.248 178.055 175.800 0.011 0.000 1.097 541 F CA 1.819 59.844 58.000 0.041 0.000 1.264 541 F CB -0.844 38.284 39.000 0.213 0.000 1.001 541 F HN 0.077 nan 8.300 nan 0.000 0.479 542 G N 0.135 109.102 108.800 0.279 0.000 2.408 542 G HA2 -0.199 3.752 3.960 -0.014 0.000 0.217 542 G HA3 -0.199 3.752 3.960 -0.014 0.000 0.217 542 G C 1.849 176.718 174.900 -0.052 0.000 1.150 542 G CA 0.344 45.524 45.100 0.133 0.000 0.776 542 G HN 0.155 nan 8.290 nan 0.000 0.542 543 R N 0.213 120.573 120.500 -0.233 0.000 2.081 543 R HA 0.074 4.406 4.340 -0.014 0.000 0.235 543 R C 2.554 178.808 176.300 -0.077 0.000 1.131 543 R CA 0.636 56.591 56.100 -0.241 0.000 0.960 543 R CB -0.749 29.302 30.300 -0.414 0.000 0.856 543 R HN 0.444 nan 8.270 nan 0.000 0.436 544 I N 1.167 121.728 120.570 -0.015 0.000 2.361 544 I HA -0.201 3.961 4.170 -0.014 0.000 0.251 544 I C 1.806 177.891 176.117 -0.053 0.000 1.133 544 I CA 1.109 62.398 61.300 -0.019 0.000 1.413 544 I CB -0.181 37.791 38.000 -0.047 0.000 1.073 544 I HN 0.041 nan 8.210 nan 0.000 0.424 545 E N 0.665 120.838 120.200 -0.046 0.000 2.478 545 E HA -0.032 4.309 4.350 -0.014 0.000 0.198 545 E C 1.569 178.164 176.600 -0.009 0.000 1.046 545 E CA 0.812 57.204 56.400 -0.013 0.000 0.870 545 E CB 0.012 29.750 29.700 0.063 0.000 0.818 545 E HN 0.577 nan 8.360 nan 0.000 0.527 546 G N 1.879 110.661 108.800 -0.030 0.000 2.132 546 G HA2 -0.275 3.676 3.960 -0.014 0.000 0.234 546 G HA3 -0.275 3.676 3.960 -0.014 0.000 0.234 546 G C -0.121 174.760 174.900 -0.031 0.000 0.989 546 G CA 0.123 45.201 45.100 -0.035 0.000 0.676 546 G HN 0.311 nan 8.290 nan 0.000 0.522 547 E N 0.312 120.495 120.200 -0.029 0.000 2.392 547 E HA 0.293 4.635 4.350 -0.014 0.000 0.264 547 E C -0.114 176.474 176.600 -0.020 0.000 1.024 547 E CA -0.219 56.175 56.400 -0.009 0.000 0.903 547 E CB 0.676 30.384 29.700 0.014 0.000 0.963 547 E HN 0.131 nan 8.360 nan 0.000 0.432 548 D N 1.668 122.074 120.400 0.010 0.000 2.801 548 D HA 0.004 4.635 4.640 -0.014 0.000 0.232 548 D C -0.014 176.326 176.300 0.067 0.000 1.128 548 D CA -0.019 53.993 54.000 0.020 0.000 1.003 548 D CB -0.362 40.453 40.800 0.025 0.000 1.110 548 D HN 0.303 nan 8.370 nan 0.000 0.477 549 S N -0.536 115.223 115.700 0.097 0.000 2.602 549 S HA 0.563 5.024 4.470 -0.014 0.000 0.240 549 S C 0.463 175.310 174.600 0.411 0.000 0.992 549 S CA -0.625 57.715 58.200 0.233 0.000 0.971 549 S CB 0.646 63.999 63.200 0.255 0.000 0.855 549 S HN 0.271 nan 8.310 nan 0.000 0.481 550 A N 1.494 124.485 122.820 0.284 0.000 2.374 550 A HA 0.782 5.093 4.320 -0.014 0.000 0.317 550 A C -0.538 177.220 177.584 0.290 0.000 1.094 550 A CA -0.815 51.455 52.037 0.389 0.000 0.765 550 A CB 1.502 20.671 19.000 0.281 0.000 1.268 550 A HN 0.375 nan 8.150 nan 0.000 0.438 551 K N 2.056 122.641 120.400 0.309 0.000 2.292 551 K HA 0.565 4.877 4.320 -0.014 0.000 0.257 551 K C -1.321 175.444 176.600 0.274 0.000 0.940 551 K CA -0.697 55.727 56.287 0.228 0.000 0.811 551 K CB 1.363 33.919 32.500 0.093 0.000 1.120 551 K HN 0.620 nan 8.250 nan 0.000 0.428 552 L N 3.936 125.279 121.223 0.200 0.000 2.367 552 L HA 0.321 4.653 4.340 -0.014 0.000 0.275 552 L C -0.377 176.435 176.870 -0.098 0.000 1.129 552 L CA 0.837 55.645 54.840 -0.052 0.000 0.839 552 L CB 1.034 43.057 42.059 -0.060 0.000 1.133 552 L HN 0.893 nan 8.230 nan 0.000 0.453 553 T N 1.245 115.686 114.554 -0.189 0.000 2.864 553 T HA 0.583 4.924 4.350 -0.014 0.000 0.289 553 T C -2.198 172.341 174.700 -0.269 0.000 1.082 553 T CA -1.521 60.468 62.100 -0.185 0.000 1.009 553 T CB 1.512 70.277 68.868 -0.170 0.000 1.234 553 T HN 0.378 nan 8.240 nan 0.000 0.526 554 P HA 0.079 nan 4.420 nan 0.000 0.222 554 P C 1.382 178.434 177.300 -0.414 0.000 1.147 554 P CA 0.751 63.665 63.100 -0.311 0.000 0.790 554 P CB -0.215 31.320 31.700 -0.275 0.000 0.780 555 I N -6.305 113.943 120.570 -0.535 0.000 3.860 555 I HA 0.457 4.618 4.170 -0.014 0.000 0.319 555 I C 0.803 176.703 176.117 -0.362 0.000 1.279 555 I CA 0.058 60.970 61.300 -0.646 0.000 1.220 555 I CB 0.100 37.348 38.000 -1.253 0.000 1.027 555 I HN -0.080 nan 8.210 nan 0.000 0.428 556 G N 0.460 109.094 108.800 -0.276 0.000 2.357 556 G HA2 0.062 4.013 3.960 -0.014 0.000 0.289 556 G HA3 0.062 4.013 3.960 -0.014 0.000 0.289 556 G C -1.629 173.213 174.900 -0.097 0.000 1.302 556 G CA -0.946 44.121 45.100 -0.056 0.000 0.936 556 G HN 0.131 nan 8.290 nan 0.000 0.513 557 Y N -0.061 120.399 120.300 0.267 0.000 2.309 557 Y HA 0.505 5.047 4.550 -0.013 0.000 0.327 557 Y C 1.269 177.392 175.900 0.372 0.000 1.172 557 Y CA 0.225 58.497 58.100 0.287 0.000 1.280 557 Y CB 1.559 40.222 38.460 0.339 0.000 1.234 557 Y HN 0.689 nan 8.280 nan 0.000 0.512 558 V N 0.429 120.558 119.914 0.358 0.000 3.158 558 V HA 0.726 4.837 4.120 -0.014 0.000 0.315 558 V C -2.951 173.066 176.094 -0.127 0.000 1.148 558 V CA -3.545 58.808 62.300 0.088 0.000 1.042 558 V CB 1.832 33.676 31.823 0.034 0.000 1.101 558 V HN 0.446 nan 8.190 nan 0.000 0.448 559 P HA 0.255 nan 4.420 nan 0.000 0.271 559 P C -0.613 176.486 177.300 -0.335 0.000 1.216 559 P CA -0.089 62.572 63.100 -0.731 0.000 0.776 559 P CB 0.276 31.199 31.700 -1.295 0.000 0.881 560 K N 1.403 121.768 120.400 -0.058 0.000 2.286 560 K HA 0.039 4.350 4.320 -0.014 0.000 0.256 560 K C 0.504 177.025 176.600 -0.131 0.000 0.999 560 K CA -0.161 56.097 56.287 -0.049 0.000 0.908 560 K CB 0.227 32.753 32.500 0.044 0.000 0.981 560 K HN 0.479 nan 8.250 nan 0.000 0.500 561 E N 1.381 121.523 120.200 -0.097 0.000 2.502 561 E HA -0.172 4.169 4.350 -0.014 0.000 0.261 561 E C -0.538 176.032 176.600 -0.051 0.000 0.974 561 E CA 0.472 56.819 56.400 -0.087 0.000 0.936 561 E CB 0.213 29.887 29.700 -0.043 0.000 0.926 561 E HN 0.494 nan 8.360 nan 0.000 0.459 562 D N 1.253 121.622 120.400 -0.051 0.000 2.978 562 D HA -0.284 4.347 4.640 -0.014 0.000 0.205 562 D C 0.722 177.025 176.300 0.005 0.000 1.093 562 D CA 1.136 55.128 54.000 -0.013 0.000 1.006 562 D CB -1.327 39.477 40.800 0.008 0.000 1.116 562 D HN 0.491 nan 8.370 nan 0.000 0.419 563 A N 0.062 122.873 122.820 -0.015 0.000 1.968 563 A HA 0.141 4.453 4.320 -0.014 0.000 0.217 563 A C 1.309 178.937 177.584 0.073 0.000 1.169 563 A CA 0.455 52.531 52.037 0.065 0.000 0.638 563 A CB 0.062 19.140 19.000 0.130 0.000 0.812 563 A HN 0.314 nan 8.150 nan 0.000 0.446 564 L N 0.811 122.012 121.223 -0.037 0.000 2.371 564 L HA 0.155 4.486 4.340 -0.014 0.000 0.272 564 L C 0.094 176.993 176.870 0.049 0.000 1.124 564 L CA -0.638 54.204 54.840 0.004 0.000 0.816 564 L CB 0.447 42.474 42.059 -0.053 0.000 1.129 564 L HN 0.253 nan 8.230 nan 0.000 0.448 565 N N 3.659 122.399 118.700 0.066 0.000 2.402 565 N HA 0.164 4.896 4.740 -0.014 0.000 0.252 565 N C -0.092 175.463 175.510 0.075 0.000 1.118 565 N CA 0.089 53.174 53.050 0.058 0.000 0.945 565 N CB 0.607 39.119 38.487 0.040 0.000 1.147 565 N HN 0.542 nan 8.380 nan 0.000 0.495 566 L N 2.260 123.527 121.223 0.073 0.000 2.959 566 L HA 0.252 4.584 4.340 -0.014 0.000 0.259 566 L C 0.734 177.625 176.870 0.035 0.000 1.185 566 L CA -0.281 54.609 54.840 0.084 0.000 0.998 566 L CB 0.109 42.240 42.059 0.120 0.000 1.337 566 L HN 0.243 nan 8.230 nan 0.000 0.555 567 K N 1.451 121.866 120.400 0.024 0.000 2.472 567 K HA 0.161 4.473 4.320 -0.014 0.000 0.280 567 K C 1.107 177.701 176.600 -0.010 0.000 1.028 567 K CA 0.992 57.285 56.287 0.010 0.000 1.045 567 K CB 0.614 33.123 32.500 0.014 0.000 0.902 567 K HN 0.344 nan 8.250 nan 0.000 0.478 568 G N 2.527 111.317 108.800 -0.016 0.000 2.175 568 G HA2 -0.244 3.708 3.960 -0.014 0.000 0.244 568 G HA3 -0.244 3.708 3.960 -0.014 0.000 0.244 568 G C 0.646 175.514 174.900 -0.054 0.000 0.982 568 G CA -0.058 45.023 45.100 -0.032 0.000 0.641 568 G HN 0.581 nan 8.290 nan 0.000 0.527 569 L N 0.172 121.361 121.223 -0.058 0.000 2.416 569 L HA 0.405 4.736 4.340 -0.014 0.000 0.216 569 L C 2.182 179.012 176.870 -0.068 0.000 1.098 569 L CA 1.081 55.863 54.840 -0.096 0.000 0.840 569 L CB -0.371 41.612 42.059 -0.128 0.000 0.981 569 L HN 1.040 nan 8.230 nan 0.000 0.462 570 G N 0.683 109.463 108.800 -0.033 0.000 2.514 570 G HA2 -0.337 3.615 3.960 -0.014 0.000 0.265 570 G HA3 -0.337 3.615 3.960 -0.014 0.000 0.265 570 G C -0.254 174.644 174.900 -0.003 0.000 1.150 570 G CA 0.061 45.150 45.100 -0.019 0.000 0.959 570 G HN 0.276 nan 8.290 nan 0.000 0.556 571 D N 1.171 121.570 120.400 -0.001 0.000 2.540 571 D HA 0.414 5.046 4.640 -0.014 0.000 0.237 571 D C 0.268 176.589 176.300 0.035 0.000 1.181 571 D CA 0.354 54.364 54.000 0.017 0.000 1.119 571 D CB 0.251 41.059 40.800 0.014 0.000 1.119 571 D HN 0.439 nan 8.370 nan 0.000 0.498 572 V N 3.205 123.155 119.914 0.060 0.000 2.333 572 V HA 0.144 4.255 4.120 -0.014 0.000 0.274 572 V C 0.409 176.580 176.094 0.128 0.000 1.028 572 V CA -0.985 61.387 62.300 0.121 0.000 0.851 572 V CB 1.155 33.093 31.823 0.192 0.000 1.000 572 V HN 0.314 nan 8.190 nan 0.000 0.456 573 N N 4.478 123.249 118.700 0.118 0.000 2.448 573 N HA 0.076 4.807 4.740 -0.014 0.000 0.250 573 N C 0.893 176.480 175.510 0.129 0.000 1.136 573 N CA -0.019 53.090 53.050 0.099 0.000 0.953 573 N CB 1.587 40.117 38.487 0.072 0.000 1.251 573 N HN 0.540 nan 8.380 nan 0.000 0.502 574 V N 2.055 122.060 119.914 0.152 0.000 2.591 574 V HA -0.042 4.070 4.120 -0.014 0.000 0.249 574 V C 1.935 178.164 176.094 0.224 0.000 1.053 574 V CA 1.634 64.079 62.300 0.241 0.000 1.068 574 V CB -0.734 31.206 31.823 0.194 0.000 0.689 574 V HN 0.619 nan 8.190 nan 0.000 0.462 575 E N 1.377 121.654 120.200 0.129 0.000 2.049 575 E HA -0.328 4.014 4.350 -0.014 0.000 0.198 575 E C 2.265 178.919 176.600 0.089 0.000 1.007 575 E CA 2.488 58.946 56.400 0.097 0.000 0.809 575 E CB -0.481 29.257 29.700 0.063 0.000 0.749 575 E HN 0.811 nan 8.360 nan 0.000 0.450 576 E N -0.397 119.843 120.200 0.067 0.000 2.076 576 E HA -0.088 4.254 4.350 -0.014 0.000 0.190 576 E C 2.236 178.832 176.600 -0.007 0.000 0.979 576 E CA 0.634 57.052 56.400 0.030 0.000 0.807 576 E CB -0.102 29.613 29.700 0.025 0.000 0.761 576 E HN 0.361 nan 8.360 nan 0.000 0.454 577 L N -0.250 120.969 121.223 -0.007 0.000 2.131 577 L HA -0.137 4.195 4.340 -0.014 0.000 0.210 577 L C 1.251 177.874 176.870 -0.412 0.000 1.092 577 L CA 1.092 55.819 54.840 -0.188 0.000 0.759 577 L CB 0.011 41.957 42.059 -0.188 0.000 0.903 577 L HN 0.218 nan 8.230 nan 0.000 0.435 578 F N -1.011 118.920 119.950 -0.032 0.000 2.682 578 F HA 0.265 4.783 4.527 -0.015 0.000 0.308 578 F C 1.539 177.328 175.800 -0.018 0.000 1.093 578 F CA -0.486 57.491 58.000 -0.038 0.000 1.244 578 F CB -0.101 38.858 39.000 -0.070 0.000 1.052 578 F HN -0.122 nan 8.300 nan 0.000 0.573 579 G N 2.159 111.023 108.800 0.106 0.000 2.178 579 G HA2 0.210 4.162 3.960 -0.014 0.000 0.244 579 G HA3 0.210 4.162 3.960 -0.014 0.000 0.244 579 G C -0.282 174.671 174.900 0.088 0.000 1.213 579 G CA -0.030 45.115 45.100 0.075 0.000 0.912 579 G HN 0.252 nan 8.290 nan 0.000 0.474 580 I N 1.989 122.620 120.570 0.101 0.000 2.382 580 I HA 0.204 4.366 4.170 -0.014 0.000 0.285 580 I C 0.362 176.601 176.117 0.204 0.000 1.007 580 I CA -0.433 60.966 61.300 0.164 0.000 1.142 580 I CB 1.839 39.835 38.000 -0.008 0.000 1.289 580 I HN 0.466 nan 8.210 nan 0.000 0.453 581 S N 5.904 121.806 115.700 0.338 0.000 2.457 581 S HA 0.224 4.686 4.470 -0.014 0.000 0.289 581 S C 1.061 175.877 174.600 0.360 0.000 1.163 581 S CA -0.589 57.773 58.200 0.270 0.000 1.078 581 S CB 1.223 64.551 63.200 0.214 0.000 0.987 581 S HN 0.742 nan 8.310 nan 0.000 0.482 582 K N 3.005 123.535 120.400 0.217 0.000 2.074 582 K HA -0.185 4.127 4.320 -0.014 0.000 0.209 582 K C 1.681 178.392 176.600 0.185 0.000 1.048 582 K CA 1.967 58.367 56.287 0.189 0.000 0.926 582 K CB -0.202 32.359 32.500 0.102 0.000 0.713 582 K HN 0.716 nan 8.250 nan 0.000 0.444 583 E N 0.011 120.299 120.200 0.147 0.000 2.077 583 E HA -0.183 4.158 4.350 -0.014 0.000 0.193 583 E C 1.662 178.306 176.600 0.074 0.000 0.989 583 E CA 1.319 57.775 56.400 0.093 0.000 0.800 583 E CB -0.319 29.428 29.700 0.079 0.000 0.746 583 E HN 0.391 nan 8.360 nan 0.000 0.452 584 F N -1.260 118.678 119.950 -0.021 0.000 2.146 584 F HA -0.094 4.425 4.527 -0.013 0.000 0.298 584 F C 1.507 177.154 175.800 -0.255 0.000 1.096 584 F CA 1.504 59.402 58.000 -0.171 0.000 1.275 584 F CB -0.291 38.559 39.000 -0.250 0.000 1.008 584 F HN 0.075 nan 8.300 nan 0.000 0.480 585 W N 1.014 122.371 121.300 0.095 0.000 2.518 585 W HA 0.023 4.674 4.660 -0.014 0.000 0.273 585 W C 2.307 178.781 176.519 -0.075 0.000 1.247 585 W CA 0.973 58.323 57.345 0.009 0.000 1.288 585 W CB -0.399 29.117 29.460 0.093 0.000 1.107 585 W HN 0.023 nan 8.180 nan 0.000 0.586 586 E N 0.388 120.652 120.200 0.108 0.000 2.085 586 E HA -0.248 4.093 4.350 -0.014 0.000 0.194 586 E C 2.174 178.739 176.600 -0.058 0.000 0.994 586 E CA 1.051 57.471 56.400 0.034 0.000 0.801 586 E CB -0.165 29.549 29.700 0.024 0.000 0.743 586 E HN -0.098 nan 8.360 nan 0.000 0.453 587 K N 1.370 121.669 120.400 -0.170 0.000 2.057 587 K HA -0.181 4.130 4.320 -0.014 0.000 0.206 587 K C 1.928 178.348 176.600 -0.299 0.000 1.050 587 K CA 1.427 57.570 56.287 -0.240 0.000 0.935 587 K CB -0.108 32.192 32.500 -0.333 0.000 0.715 587 K HN -0.039 nan 8.250 nan 0.000 0.439 588 E N 0.372 120.287 120.200 -0.475 0.000 2.051 588 E HA -0.123 4.219 4.350 -0.014 0.000 0.192 588 E C 1.856 178.394 176.600 -0.102 0.000 0.991 588 E CA 1.702 57.835 56.400 -0.444 0.000 0.799 588 E CB -0.223 29.032 29.700 -0.741 0.000 0.748 588 E HN 0.143 nan 8.360 nan 0.000 0.449 589 V N -1.144 118.789 119.914 0.031 0.000 2.515 589 V HA -0.176 3.936 4.120 -0.014 0.000 0.250 589 V C 1.897 178.038 176.094 0.079 0.000 1.058 589 V CA 2.000 64.379 62.300 0.132 0.000 1.064 589 V CB -0.672 31.243 31.823 0.154 0.000 0.675 589 V HN 0.162 nan 8.190 nan 0.000 0.461 590 E N 0.167 120.378 120.200 0.018 0.000 2.077 590 E HA -0.193 4.148 4.350 -0.014 0.000 0.193 590 E C 2.366 178.985 176.600 0.031 0.000 0.989 590 E CA 1.572 57.980 56.400 0.013 0.000 0.800 590 E CB -0.137 29.552 29.700 -0.018 0.000 0.746 590 E HN 0.632 nan 8.360 nan 0.000 0.452 591 E N 0.548 120.753 120.200 0.009 0.000 2.072 591 E HA -0.132 4.209 4.350 -0.014 0.000 0.191 591 E C 2.185 178.886 176.600 0.167 0.000 0.985 591 E CA 0.697 57.133 56.400 0.060 0.000 0.801 591 E CB -0.177 29.516 29.700 -0.012 0.000 0.750 591 E HN 0.348 nan 8.360 nan 0.000 0.452 592 I N 1.561 122.229 120.570 0.164 0.000 2.226 592 I HA -0.261 3.901 4.170 -0.014 0.000 0.245 592 I C 2.373 178.622 176.117 0.221 0.000 1.100 592 I CA 1.277 62.719 61.300 0.237 0.000 1.374 592 I CB -0.275 37.856 38.000 0.219 0.000 1.057 592 I HN 0.018 nan 8.210 nan 0.000 0.413 593 D N 1.510 122.008 120.400 0.163 0.000 2.092 593 D HA -0.214 4.418 4.640 -0.014 0.000 0.193 593 D C 2.118 178.466 176.300 0.081 0.000 0.994 593 D CA 1.649 55.718 54.000 0.116 0.000 0.828 593 D CB -0.014 40.834 40.800 0.080 0.000 0.963 593 D HN 0.200 nan 8.370 nan 0.000 0.450 594 K N -1.045 119.400 120.400 0.075 0.000 2.103 594 K HA -0.201 4.110 4.320 -0.014 0.000 0.207 594 K C 2.303 178.922 176.600 0.032 0.000 1.048 594 K CA 1.178 57.492 56.287 0.045 0.000 0.930 594 K CB -0.348 32.182 32.500 0.050 0.000 0.716 594 K HN 0.290 nan 8.250 nan 0.000 0.444 595 Y N 1.554 121.791 120.300 -0.105 0.000 2.153 595 Y HA -0.137 4.404 4.550 -0.014 0.000 0.289 595 Y C 1.812 177.630 175.900 -0.136 0.000 1.127 595 Y CA 1.284 59.240 58.100 -0.238 0.000 1.131 595 Y CB -0.265 37.831 38.460 -0.607 0.000 0.995 595 Y HN -0.103 nan 8.280 nan 0.000 0.505 596 L N 0.327 121.501 121.223 -0.080 0.000 2.093 596 L HA -0.182 4.150 4.340 -0.014 0.000 0.208 596 L C 2.570 179.359 176.870 -0.135 0.000 1.085 596 L CA 1.841 56.603 54.840 -0.130 0.000 0.755 596 L CB -0.650 41.449 42.059 0.066 0.000 0.904 596 L HN 0.349 nan 8.230 nan 0.000 0.435 597 E N 0.465 120.619 120.200 -0.076 0.000 2.051 597 E HA -0.295 4.047 4.350 -0.014 0.000 0.192 597 E C 1.735 178.273 176.600 -0.102 0.000 0.991 597 E CA 1.832 58.192 56.400 -0.067 0.000 0.799 597 E CB 0.072 29.752 29.700 -0.034 0.000 0.748 597 E HN 0.400 nan 8.360 nan 0.000 0.449 598 D N -0.354 119.967 120.400 -0.132 0.000 2.091 598 D HA -0.146 4.486 4.640 -0.014 0.000 0.199 598 D C 2.013 178.201 176.300 -0.187 0.000 0.980 598 D CA 1.188 55.107 54.000 -0.135 0.000 0.831 598 D CB 0.031 40.761 40.800 -0.116 0.000 0.987 598 D HN 0.102 nan 8.370 nan 0.000 0.460 599 Q N -0.464 119.142 119.800 -0.324 0.000 2.269 599 Q HA 0.045 4.377 4.340 -0.014 0.000 0.201 599 Q C 2.118 177.979 176.000 -0.232 0.000 0.946 599 Q CA 0.589 56.181 55.803 -0.353 0.000 0.877 599 Q CB 0.652 28.964 28.738 -0.710 0.000 0.963 599 Q HN 0.316 nan 8.270 nan 0.000 0.472 600 V N 0.047 119.837 119.914 -0.207 0.000 3.048 600 V HA 0.025 4.137 4.120 -0.014 0.000 0.241 600 V C 1.151 177.180 176.094 -0.109 0.000 1.129 600 V CA 0.594 62.816 62.300 -0.130 0.000 1.128 600 V CB -0.331 31.420 31.823 -0.121 0.000 0.849 600 V HN 0.265 nan 8.190 nan 0.000 0.475 601 N N 1.402 120.041 118.700 -0.102 0.000 1.241 601 N HA -0.391 4.340 4.740 -0.014 0.000 0.135 601 N C 1.202 176.677 175.510 -0.058 0.000 0.723 601 N CA 2.605 55.610 53.050 -0.075 0.000 0.950 601 N CB -1.488 36.953 38.487 -0.077 0.000 1.215 601 N HN 0.427 nan 8.380 nan 0.000 0.520 602 A N -0.710 122.078 122.820 -0.053 0.000 2.172 602 A HA -0.021 4.291 4.320 -0.014 0.000 0.216 602 A C 1.088 178.650 177.584 -0.037 0.000 1.154 602 A CA 1.896 53.910 52.037 -0.038 0.000 0.701 602 A CB -0.278 18.700 19.000 -0.038 0.000 0.789 602 A HN 0.570 nan 8.150 nan 0.000 0.465 603 D N -0.931 119.435 120.400 -0.056 0.000 2.363 603 D HA 0.148 4.779 4.640 -0.014 0.000 0.214 603 D C -0.109 176.145 176.300 -0.077 0.000 1.093 603 D CA -0.176 53.788 54.000 -0.061 0.000 0.837 603 D CB 0.186 40.939 40.800 -0.077 0.000 0.948 603 D HN 0.327 nan 8.370 nan 0.000 0.507 604 L N 2.509 123.693 121.223 -0.066 0.000 2.433 604 L HA 0.246 4.578 4.340 -0.014 0.000 0.275 604 L C -2.349 174.516 176.870 -0.008 0.000 1.128 604 L CA -1.139 53.663 54.840 -0.063 0.000 0.875 604 L CB 0.396 42.429 42.059 -0.044 0.000 1.171 604 L HN -0.269 nan 8.230 nan 0.000 0.463 605 P HA 0.013 nan 4.420 nan 0.000 0.271 605 P C 0.006 177.386 177.300 0.133 0.000 1.216 605 P CA 0.021 63.167 63.100 0.076 0.000 0.776 605 P CB 0.342 32.090 31.700 0.080 0.000 0.881 606 Y N 2.612 122.926 120.300 0.023 0.000 2.139 606 Y HA -0.306 4.236 4.550 -0.014 0.000 0.282 606 Y C 1.922 177.849 175.900 0.046 0.000 1.179 606 Y CA 1.914 60.031 58.100 0.028 0.000 1.161 606 Y CB -0.126 38.348 38.460 0.023 0.000 0.970 606 Y HN 0.461 nan 8.280 nan 0.000 0.511 607 E N -0.562 119.806 120.200 0.280 0.000 2.153 607 E HA -0.205 4.136 4.350 -0.014 0.000 0.194 607 E C 2.015 178.685 176.600 0.116 0.000 0.988 607 E CA 1.140 57.662 56.400 0.203 0.000 0.811 607 E CB -0.090 29.751 29.700 0.234 0.000 0.746 607 E HN 0.480 nan 8.360 nan 0.000 0.466 608 I N 1.049 121.693 120.570 0.123 0.000 2.286 608 I HA -0.179 3.983 4.170 -0.014 0.000 0.245 608 I C 2.497 178.673 176.117 0.098 0.000 1.104 608 I CA 1.060 62.458 61.300 0.162 0.000 1.397 608 I CB -1.046 37.052 38.000 0.163 0.000 1.072 608 I HN 0.085 nan 8.210 nan 0.000 0.417 609 E N 1.859 122.061 120.200 0.004 0.000 2.070 609 E HA -0.281 4.061 4.350 -0.014 0.000 0.197 609 E C 2.371 178.879 176.600 -0.153 0.000 1.004 609 E CA 1.780 58.133 56.400 -0.079 0.000 0.805 609 E CB -0.339 29.253 29.700 -0.180 0.000 0.744 609 E HN 0.332 nan 8.360 nan 0.000 0.451 610 R N -0.118 120.257 120.500 -0.209 0.000 2.081 610 R HA -0.128 4.204 4.340 -0.014 0.000 0.235 610 R C 2.044 178.238 176.300 -0.176 0.000 1.131 610 R CA 1.601 57.576 56.100 -0.208 0.000 0.960 610 R CB -0.104 30.095 30.300 -0.168 0.000 0.856 610 R HN 0.140 nan 8.270 nan 0.000 0.436 611 E N 0.760 120.856 120.200 -0.174 0.000 2.106 611 E HA -0.188 4.153 4.350 -0.014 0.000 0.192 611 E C 1.953 178.164 176.600 -0.648 0.000 0.984 611 E CA 0.747 56.937 56.400 -0.350 0.000 0.806 611 E CB -0.292 29.219 29.700 -0.316 0.000 0.750 611 E HN 0.269 nan 8.360 nan 0.000 0.458 612 L N 1.504 122.422 121.223 -0.507 0.000 2.012 612 L HA -0.183 4.148 4.340 -0.014 0.000 0.210 612 L C 2.290 179.041 176.870 -0.198 0.000 1.073 612 L CA 1.785 56.438 54.840 -0.312 0.000 0.748 612 L CB -0.249 41.845 42.059 0.059 0.000 0.891 612 L HN -0.063 nan 8.230 nan 0.000 0.431 613 R N -0.543 119.860 120.500 -0.163 0.000 2.091 613 R HA -0.134 4.198 4.340 -0.014 0.000 0.238 613 R C 2.250 178.466 176.300 -0.140 0.000 1.136 613 R CA 1.379 57.404 56.100 -0.125 0.000 0.959 613 R CB -0.736 29.491 30.300 -0.123 0.000 0.856 613 R HN 0.556 nan 8.270 nan 0.000 0.437 614 A N 1.244 123.952 122.820 -0.185 0.000 1.898 614 A HA -0.146 4.165 4.320 -0.014 0.000 0.216 614 A C 2.091 179.554 177.584 -0.201 0.000 1.181 614 A CA 1.015 52.943 52.037 -0.183 0.000 0.620 614 A CB -0.437 18.443 19.000 -0.199 0.000 0.819 614 A HN 0.239 nan 8.150 nan 0.000 0.442 615 L N 0.036 121.105 121.223 -0.256 0.000 2.017 615 L HA -0.138 4.194 4.340 -0.014 0.000 0.208 615 L C 2.175 178.983 176.870 -0.103 0.000 1.073 615 L CA 2.273 56.992 54.840 -0.203 0.000 0.745 615 L CB -0.617 41.324 42.059 -0.197 0.000 0.894 615 L HN 0.343 nan 8.230 nan 0.000 0.432 616 K N -0.842 119.514 120.400 -0.072 0.000 2.074 616 K HA -0.279 4.033 4.320 -0.014 0.000 0.209 616 K C 2.190 178.766 176.600 -0.041 0.000 1.048 616 K CA 1.871 58.142 56.287 -0.027 0.000 0.926 616 K CB -0.254 32.232 32.500 -0.023 0.000 0.713 616 K HN 0.357 nan 8.250 nan 0.000 0.444 617 Q N 1.200 120.959 119.800 -0.067 0.000 2.046 617 Q HA -0.099 4.233 4.340 -0.014 0.000 0.200 617 Q C 1.900 177.858 176.000 -0.069 0.000 0.975 617 Q CA 1.541 57.306 55.803 -0.063 0.000 0.836 617 Q CB 0.056 28.751 28.738 -0.072 0.000 0.896 617 Q HN 0.183 nan 8.270 nan 0.000 0.428 618 R N -0.355 120.086 120.500 -0.099 0.000 2.081 618 R HA -0.102 4.230 4.340 -0.014 0.000 0.235 618 R C 2.110 178.357 176.300 -0.088 0.000 1.131 618 R CA 1.349 57.382 56.100 -0.112 0.000 0.960 618 R CB -0.420 29.781 30.300 -0.166 0.000 0.856 618 R HN 0.313 nan 8.270 nan 0.000 0.436 619 I N 1.166 121.695 120.570 -0.069 0.000 2.226 619 I HA -0.255 3.906 4.170 -0.014 0.000 0.245 619 I C 2.614 178.728 176.117 -0.005 0.000 1.100 619 I CA 1.692 62.979 61.300 -0.022 0.000 1.374 619 I CB -1.457 36.569 38.000 0.042 0.000 1.057 619 I HN 0.211 nan 8.210 nan 0.000 0.413 620 S N 0.554 116.247 115.700 -0.012 0.000 2.442 620 S HA -0.187 4.274 4.470 -0.014 0.000 0.236 620 S C 1.629 176.221 174.600 -0.012 0.000 1.007 620 S CA 0.890 59.085 58.200 -0.008 0.000 0.965 620 S CB -0.253 62.939 63.200 -0.013 0.000 0.773 620 S HN 0.449 nan 8.310 nan 0.000 0.504 621 Q N 0.359 120.144 119.800 -0.025 0.000 2.360 621 Q HA 0.382 4.714 4.340 -0.014 0.000 0.202 621 Q C 0.647 176.634 176.000 -0.022 0.000 0.915 621 Q CA 0.072 55.860 55.803 -0.025 0.000 0.943 621 Q CB -0.204 28.512 28.738 -0.036 0.000 1.064 621 Q HN 0.670 nan 8.270 nan 0.000 0.511 622 M N 0.000 119.590 119.600 -0.017 0.000 2.572 622 M HA 0.000 4.472 4.480 -0.014 0.000 0.227 622 M CA 0.000 55.295 55.300 -0.009 0.000 0.988 622 M CB 0.000 32.601 32.600 0.001 0.000 1.302 622 M HN 0.000 nan 8.290 nan 0.000 0.411