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 1gax_1_A DATA FIRST_RESID 1 DATA SEQUENCE MDLPKAYDPK SVEPKWAEKW AKNPFVANPK SGKPPFVIFM PPPNVTGSLH DATA SEQUENCE MGHALDNSLQ DALIRYKRMR GFEAVWLPGT DHAGIATQVV VERLLLKEGK DATA SEQUENCE TRHDLGREKF LERVWQWKEE SGGTILKQLK RLGASADWSR EAFTMDEKRS DATA SEQUENCE RAVRYAFSRY YHEGLAYRAP RLVNWCPRCE TTLSDLEVET EPTPGKLYTL DATA SEQUENCE RYEVEGGGFI EIATVRPETV FADQAIAVHP EDERYRHLLG KRARIPLTEV DATA SEQUENCE WIPILADPAV EKDFGTGALK VTPAHDPLDY EIGERHGLKP VSVINLEGRM DATA SEQUENCE EGERVPEALR GLDRFEARRK AVELFREAGH LVKEEDYTIA LATCSRCGTP DATA SEQUENCE IEYAIFPQWW LRMRPLAEEV LKGLRRGDIA FVPERWKKVN MDWLENVKDW DATA SEQUENCE NISRQLWWGH QIPAWYCEDC QAVNVPRPER YLEDPTSCEA CGSPRLKRDE DATA SEQUENCE DVFDTWFSSA LWPLSTLGWP EETEDLKAFY PGDVLVTGYD ILFLWVSRME DATA SEQUENCE VSGYHFMGER PFKTVLLHGL VLDEKGQKMS KSKGNVIDPL EMVERYGADA DATA SEQUENCE LRFALIYLAT GGQDIRLDLR WLEMARNFAN KLYNAARFVL LSREGFQAKE DATA SEQUENCE DTPTLADRFM RSRLSRGVEE ITALYEALDL AQAAREVYEL VWSEFCDWYL DATA SEQUENCE EAAKPALKAG NAHTLRTLEE VLAVLLKLLH PMMPFLTSEL YQALTGKEEL DATA SEQUENCE ALEAWPEPGG RDEEAERAFE ALKQAVTAVR ALKAEAGLPP AQEVRVYLEG DATA SEQUENCE ETAPVEENLE VFRFLSRADL LPERPAKALV KAMPRVTARM PLEGLLDVEE DATA SEQUENCE WRRRQEKRLK ELLALAERSQ RKLASPGFRE KAPKEVVEAE EARLKENLEQ DATA SEQUENCE AERIREALSQ IG VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.337 176.300 0.062 0.000 1.140 1 M CA 0.000 55.343 55.300 0.071 0.000 0.988 1 M CB 0.000 32.635 32.600 0.058 0.000 1.302 2 D N 1.832 122.284 120.400 0.088 0.000 2.417 2 D HA 0.411 5.052 4.640 0.001 0.000 0.207 2 D C -0.013 176.343 176.300 0.094 0.000 1.075 2 D CA 0.537 54.583 54.000 0.077 0.000 0.851 2 D CB 0.331 41.177 40.800 0.076 0.000 0.976 2 D HN 0.646 nan 8.370 nan 0.000 0.505 3 L N 0.494 121.798 121.223 0.136 0.000 3.965 3 L HA -0.212 4.128 4.340 0.001 0.000 0.476 3 L C -1.975 174.986 176.870 0.152 0.000 1.201 3 L CA -0.458 54.465 54.840 0.139 0.000 0.710 3 L CB -1.329 40.744 42.059 0.024 0.000 1.509 3 L HN 0.125 nan 8.230 nan 0.000 0.815 4 P HA 0.154 nan 4.420 nan 0.000 0.307 4 P C 0.600 178.023 177.300 0.206 0.000 1.306 4 P CA -0.445 62.753 63.100 0.163 0.000 0.742 4 P CB 0.617 32.398 31.700 0.136 0.000 1.349 5 K N -0.602 119.890 120.400 0.153 0.000 2.076 5 K HA 0.218 4.539 4.320 0.001 0.000 0.204 5 K C 0.838 177.577 176.600 0.232 0.000 1.051 5 K CA 0.981 57.358 56.287 0.149 0.000 0.949 5 K CB -0.632 31.923 32.500 0.091 0.000 0.726 5 K HN 0.390 nan 8.250 nan 0.000 0.443 6 A N 0.164 123.104 122.820 0.199 0.000 2.356 6 A HA 0.482 4.802 4.320 0.001 0.000 0.323 6 A C -1.405 176.204 177.584 0.042 0.000 1.119 6 A CA -0.666 51.469 52.037 0.163 0.000 0.790 6 A CB 0.493 19.534 19.000 0.069 0.000 1.273 6 A HN 0.187 nan 8.150 nan 0.000 0.452 7 Y N 1.370 121.462 120.300 -0.346 0.000 2.336 7 Y HA 0.478 5.029 4.550 0.001 0.000 0.335 7 Y C -0.687 175.012 175.900 -0.335 0.000 1.046 7 Y CA -1.087 56.574 58.100 -0.733 0.000 1.198 7 Y CB 0.994 38.898 38.460 -0.927 0.000 1.182 7 Y HN 0.646 nan 8.280 nan 0.000 0.502 8 D N 8.672 129.018 120.400 -0.090 0.000 2.464 8 D HA 0.382 5.023 4.640 0.001 0.000 0.243 8 D C -2.206 173.909 176.300 -0.308 0.000 1.104 8 D CA -2.596 51.250 54.000 -0.258 0.000 0.883 8 D CB 1.730 42.478 40.800 -0.087 0.000 1.050 8 D HN 0.291 nan 8.370 nan 0.000 0.524 9 P HA -0.212 nan 4.420 nan 0.000 0.217 9 P C 0.896 178.129 177.300 -0.112 0.000 1.151 9 P CA 1.406 64.246 63.100 -0.433 0.000 0.849 9 P CB 0.228 31.653 31.700 -0.457 0.000 0.787 10 K N -0.360 119.968 120.400 -0.120 0.000 2.281 10 K HA -0.080 4.240 4.320 0.001 0.000 0.203 10 K C 1.954 178.557 176.600 0.006 0.000 1.046 10 K CA 1.717 57.972 56.287 -0.053 0.000 0.938 10 K CB -0.476 31.990 32.500 -0.058 0.000 0.737 10 K HN 0.288 nan 8.250 nan 0.000 0.458 11 S N -0.769 114.954 115.700 0.038 0.000 2.593 11 S HA 0.057 4.527 4.470 0.001 0.000 0.217 11 S C 1.517 176.199 174.600 0.137 0.000 0.966 11 S CA -0.063 58.181 58.200 0.074 0.000 0.914 11 S CB 0.368 63.613 63.200 0.075 0.000 0.776 11 S HN -0.017 nan 8.310 nan 0.000 0.523 12 V N 0.852 120.877 119.914 0.185 0.000 3.449 12 V HA 0.132 4.252 4.120 0.001 0.000 0.208 12 V C 2.209 178.516 176.094 0.355 0.000 1.269 12 V CA 0.498 62.980 62.300 0.305 0.000 1.301 12 V CB -0.613 31.427 31.823 0.362 0.000 1.306 12 V HN 0.283 nan 8.190 nan 0.000 0.531 13 E N 1.865 122.182 120.200 0.196 0.000 2.086 13 E HA -0.242 4.109 4.350 0.001 0.000 0.205 13 E C -0.501 176.235 176.600 0.227 0.000 1.027 13 E CA 2.226 58.650 56.400 0.040 0.000 0.830 13 E CB -1.483 27.838 29.700 -0.631 0.000 0.751 13 E HN 0.534 nan 8.360 nan 0.000 0.456 14 P HA -0.278 nan 4.420 nan 0.000 0.216 14 P C 1.358 178.745 177.300 0.145 0.000 1.154 14 P CA 2.059 65.232 63.100 0.122 0.000 0.865 14 P CB -0.144 31.589 31.700 0.056 0.000 0.789 15 K N -0.701 119.771 120.400 0.119 0.000 1.984 15 K HA -0.161 4.159 4.320 0.001 0.000 0.209 15 K C 2.173 178.749 176.600 -0.040 0.000 1.046 15 K CA 1.428 57.714 56.287 -0.002 0.000 0.934 15 K CB -1.445 30.997 32.500 -0.097 0.000 0.717 15 K HN 0.088 nan 8.250 nan 0.000 0.438 16 W N 1.621 122.861 121.300 -0.101 0.000 2.342 16 W HA -0.116 4.544 4.660 0.001 0.000 0.297 16 W C 2.738 178.986 176.519 -0.452 0.000 1.213 16 W CA 1.623 58.691 57.345 -0.461 0.000 1.251 16 W CB -0.455 28.632 29.460 -0.621 0.000 1.136 16 W HN 0.359 nan 8.180 nan 0.000 0.526 17 A N 0.234 123.266 122.820 0.354 0.000 1.883 17 A HA -0.307 4.013 4.320 0.001 0.000 0.217 17 A C 1.898 179.674 177.584 0.320 0.000 1.186 17 A CA 2.126 54.479 52.037 0.526 0.000 0.624 17 A CB -1.069 18.287 19.000 0.593 0.000 0.822 17 A HN 0.443 nan 8.150 nan 0.000 0.444 18 E N -0.399 119.905 120.200 0.172 0.000 2.072 18 E HA -0.231 4.120 4.350 0.001 0.000 0.191 18 E C 2.127 178.772 176.600 0.075 0.000 0.985 18 E CA 1.373 57.833 56.400 0.100 0.000 0.801 18 E CB -0.119 29.604 29.700 0.038 0.000 0.750 18 E HN 0.446 nan 8.360 nan 0.000 0.452 19 K N 0.338 120.727 120.400 -0.019 0.000 2.032 19 K HA -0.170 4.150 4.320 0.001 0.000 0.209 19 K C 1.794 178.474 176.600 0.134 0.000 1.048 19 K CA 1.492 57.741 56.287 -0.064 0.000 0.927 19 K CB -0.319 32.007 32.500 -0.290 0.000 0.712 19 K HN 0.346 nan 8.250 nan 0.000 0.441 20 W N 0.674 122.107 121.300 0.222 0.000 2.436 20 W HA 0.022 4.682 4.660 0.001 0.000 0.284 20 W C 2.305 178.999 176.519 0.293 0.000 1.225 20 W CA 0.680 58.207 57.345 0.303 0.000 1.271 20 W CB -1.054 28.660 29.460 0.424 0.000 1.114 20 W HN 0.202 nan 8.180 nan 0.000 0.559 21 A N 1.210 124.296 122.820 0.443 0.000 1.828 21 A HA -0.219 4.102 4.320 0.001 0.000 0.215 21 A C 1.995 179.694 177.584 0.192 0.000 1.203 21 A CA 2.007 54.199 52.037 0.258 0.000 0.614 21 A CB -0.997 18.075 19.000 0.119 0.000 0.844 21 A HN 0.212 nan 8.150 nan 0.000 0.445 22 K N -0.287 120.189 120.400 0.125 0.000 2.362 22 K HA -0.130 4.191 4.320 0.001 0.000 0.202 22 K C -0.518 176.143 176.600 0.101 0.000 1.045 22 K CA 1.326 57.663 56.287 0.083 0.000 0.936 22 K CB -0.260 32.267 32.500 0.044 0.000 0.747 22 K HN 0.525 nan 8.250 nan 0.000 0.467 23 N N 0.339 119.126 118.700 0.144 0.000 2.752 23 N HA 0.181 4.922 4.740 0.001 0.000 0.260 23 N C -2.876 172.698 175.510 0.105 0.000 1.562 23 N CA -1.187 51.920 53.050 0.094 0.000 0.788 23 N CB 1.382 39.886 38.487 0.028 0.000 1.192 23 N HN -0.130 nan 8.380 nan 0.000 0.503 24 P HA -0.041 nan 4.420 nan 0.000 0.269 24 P C -0.537 176.835 177.300 0.120 0.000 1.205 24 P CA 0.187 63.466 63.100 0.298 0.000 0.780 24 P CB 0.427 32.313 31.700 0.310 0.000 0.858 25 F N 0.438 120.425 119.950 0.062 0.000 2.573 25 F HA 0.136 4.663 4.527 0.001 0.000 0.349 25 F C 0.311 176.118 175.800 0.012 0.000 1.213 25 F CA -0.474 57.547 58.000 0.035 0.000 1.300 25 F CB -0.726 38.270 39.000 -0.006 0.000 1.661 25 F HN -0.087 nan 8.300 nan 0.000 0.616 26 V N 2.347 122.338 119.914 0.129 0.000 2.644 26 V HA 0.098 4.218 4.120 0.001 0.000 0.305 26 V C 0.863 177.015 176.094 0.096 0.000 1.053 26 V CA -0.394 61.963 62.300 0.095 0.000 1.186 26 V CB -0.139 31.730 31.823 0.076 0.000 0.895 26 V HN 0.633 nan 8.190 nan 0.000 0.490 27 A N 4.986 127.856 122.820 0.083 0.000 2.354 27 A HA 0.411 4.731 4.320 0.001 0.000 0.269 27 A C 0.337 178.019 177.584 0.162 0.000 1.109 27 A CA -0.404 51.694 52.037 0.102 0.000 0.800 27 A CB 0.063 19.081 19.000 0.030 0.000 1.045 27 A HN 0.945 nan 8.150 nan 0.000 0.489 28 N N 3.118 121.931 118.700 0.188 0.000 2.524 28 N HA 0.294 5.035 4.740 0.001 0.000 0.261 28 N C -1.909 173.721 175.510 0.201 0.000 0.998 28 N CA -2.021 51.127 53.050 0.163 0.000 0.915 28 N CB 1.801 40.350 38.487 0.103 0.000 1.187 28 N HN 0.330 nan 8.380 nan 0.000 0.507 29 P HA -0.211 nan 4.420 nan 0.000 0.217 29 P C 0.159 177.438 177.300 -0.034 0.000 1.148 29 P CA 1.466 64.529 63.100 -0.062 0.000 0.828 29 P CB 0.123 31.695 31.700 -0.213 0.000 0.783 30 K N -0.218 120.184 120.400 0.002 0.000 2.520 30 K HA 0.176 4.496 4.320 0.001 0.000 0.205 30 K C 1.637 178.252 176.600 0.025 0.000 1.035 30 K CA 0.148 56.435 56.287 0.000 0.000 1.188 30 K CB -0.308 32.187 32.500 -0.007 0.000 0.894 30 K HN -0.017 nan 8.250 nan 0.000 0.497 31 S N 1.520 117.253 115.700 0.055 0.000 2.440 31 S HA -0.093 4.377 4.470 0.001 0.000 0.238 31 S C 1.513 176.134 174.600 0.034 0.000 1.010 31 S CA 1.240 59.474 58.200 0.057 0.000 0.972 31 S CB -0.687 62.567 63.200 0.091 0.000 0.774 31 S HN 0.694 nan 8.310 nan 0.000 0.501 32 G N 0.832 109.649 108.800 0.028 0.000 2.258 32 G HA2 -0.308 3.652 3.960 0.001 0.000 0.274 32 G HA3 -0.308 3.652 3.960 0.001 0.000 0.274 32 G C -0.090 174.810 174.900 0.001 0.000 1.021 32 G CA 0.883 45.989 45.100 0.010 0.000 0.798 32 G HN 0.750 nan 8.290 nan 0.000 0.507 33 K N 0.120 120.529 120.400 0.015 0.000 2.397 33 K HA 0.548 4.868 4.320 0.001 0.000 0.253 33 K C -2.594 174.009 176.600 0.006 0.000 0.932 33 K CA -2.454 53.822 56.287 -0.019 0.000 0.795 33 K CB 2.048 34.545 32.500 -0.006 0.000 1.159 33 K HN -0.099 nan 8.250 nan 0.000 0.424 34 P HA -0.057 nan 4.420 nan 0.000 0.259 34 P C -2.550 174.889 177.300 0.232 0.000 1.163 34 P CA -0.460 62.647 63.100 0.012 0.000 0.760 34 P CB 0.081 31.634 31.700 -0.246 0.000 0.762 35 P HA 0.322 nan 4.420 nan 0.000 0.281 35 P C -1.301 176.185 177.300 0.310 0.000 1.264 35 P CA -0.309 62.969 63.100 0.298 0.000 0.824 35 P CB 0.923 32.821 31.700 0.331 0.000 1.092 36 F N 1.596 121.534 119.950 -0.019 0.000 2.671 36 F HA 0.375 4.902 4.527 0.001 0.000 0.332 36 F C -1.610 174.031 175.800 -0.266 0.000 1.189 36 F CA -0.617 57.275 58.000 -0.179 0.000 0.988 36 F CB 1.094 39.902 39.000 -0.320 0.000 1.258 36 F HN -0.027 nan 8.300 nan 0.000 0.471 37 V N 6.932 126.337 119.914 -0.848 0.000 2.581 37 V HA 0.594 4.714 4.120 0.001 0.000 0.303 37 V C -0.236 175.324 176.094 -0.890 0.000 1.041 37 V CA -0.817 61.010 62.300 -0.788 0.000 0.907 37 V CB 2.088 33.493 31.823 -0.697 0.000 0.994 37 V HN 0.653 nan 8.190 nan 0.000 0.442 38 I N 3.438 123.597 120.570 -0.685 0.000 2.548 38 I HA 0.415 4.585 4.170 0.001 0.000 0.287 38 I C -1.380 174.608 176.117 -0.215 0.000 1.103 38 I CA -0.201 60.841 61.300 -0.429 0.000 1.049 38 I CB 2.117 39.917 38.000 -0.333 0.000 1.232 38 I HN 0.464 nan 8.210 nan 0.000 0.429 39 F N 6.143 126.223 119.950 0.216 0.000 2.411 39 F HA 0.399 4.926 4.527 0.001 0.000 0.355 39 F C 0.638 176.754 175.800 0.526 0.000 1.117 39 F CA -0.491 57.752 58.000 0.405 0.000 1.139 39 F CB 1.188 40.499 39.000 0.518 0.000 1.120 39 F HN 0.349 nan 8.300 nan 0.000 0.493 40 M N 7.415 127.433 119.600 0.697 0.000 2.188 40 M HA 0.260 4.740 4.480 0.001 0.000 0.354 40 M C -2.322 174.236 176.300 0.429 0.000 1.342 40 M CA -1.748 53.888 55.300 0.560 0.000 1.117 40 M CB 0.903 33.644 32.600 0.236 0.000 1.670 40 M HN 0.218 nan 8.290 nan 0.000 0.466 41 P HA 0.154 nan 4.420 nan 0.000 0.270 41 P C -2.722 174.428 177.300 -0.249 0.000 1.242 41 P CA -1.025 62.042 63.100 -0.054 0.000 0.768 41 P CB -0.312 31.392 31.700 0.006 0.000 0.820 42 P HA 0.180 nan 4.420 nan 0.000 0.269 42 P C -2.478 174.606 177.300 -0.360 0.000 1.252 42 P CA -1.630 61.222 63.100 -0.412 0.000 0.780 42 P CB -0.549 30.734 31.700 -0.695 0.000 0.829 43 P HA 0.017 nan 4.420 nan 0.000 0.266 43 P C 0.145 177.337 177.300 -0.179 0.000 1.195 43 P CA 0.511 63.440 63.100 -0.285 0.000 0.768 43 P CB 0.276 31.745 31.700 -0.384 0.000 0.838 44 N N 1.557 120.177 118.700 -0.134 0.000 2.513 44 N HA 0.011 4.752 4.740 0.001 0.000 0.268 44 N C 0.340 175.872 175.510 0.036 0.000 1.180 44 N CA -0.142 52.880 53.050 -0.047 0.000 0.948 44 N CB 0.473 38.945 38.487 -0.025 0.000 1.083 44 N HN 0.099 nan 8.380 nan 0.000 0.455 45 V N 1.054 121.038 119.914 0.118 0.000 3.264 45 V HA -0.056 4.065 4.120 0.001 0.000 0.343 45 V C 0.831 177.127 176.094 0.336 0.000 1.235 45 V CA 0.422 62.812 62.300 0.150 0.000 1.439 45 V CB -2.170 29.780 31.823 0.211 0.000 1.119 45 V HN 0.664 nan 8.190 nan 0.000 0.423 46 T N -0.948 113.772 114.554 0.276 0.000 2.874 46 T HA 0.665 5.016 4.350 0.001 0.000 0.321 46 T C 0.717 175.640 174.700 0.371 0.000 1.075 46 T CA 0.104 62.435 62.100 0.384 0.000 0.966 46 T CB 1.222 70.203 68.868 0.188 0.000 1.001 46 T HN 0.883 nan 8.240 nan 0.000 0.476 47 G N 4.116 113.298 108.800 0.638 0.000 2.550 47 G HA2 -0.205 3.755 3.960 0.001 0.000 0.277 47 G HA3 -0.205 3.755 3.960 0.001 0.000 0.277 47 G C 0.031 175.000 174.900 0.115 0.000 1.190 47 G CA -0.049 45.275 45.100 0.374 0.000 0.971 47 G HN 1.155 nan 8.290 nan 0.000 0.559 48 S N -0.746 115.025 115.700 0.119 0.000 2.748 48 S HA 0.799 5.269 4.470 0.001 0.000 0.299 48 S C 0.482 175.153 174.600 0.119 0.000 1.119 48 S CA -0.619 57.624 58.200 0.071 0.000 0.997 48 S CB 1.221 64.465 63.200 0.073 0.000 1.223 48 S HN 0.690 nan 8.310 nan 0.000 0.541 49 L N 1.381 122.675 121.223 0.117 0.000 2.448 49 L HA 0.580 4.920 4.340 0.001 0.000 0.258 49 L C 0.336 177.334 176.870 0.212 0.000 1.104 49 L CA -0.775 54.228 54.840 0.273 0.000 0.800 49 L CB 0.617 42.801 42.059 0.208 0.000 1.241 49 L HN 0.817 nan 8.230 nan 0.000 0.472 50 H N -1.065 118.117 119.070 0.187 0.000 2.941 50 H HA 0.281 4.837 4.556 0.001 0.000 0.344 50 H C 0.329 175.627 175.328 -0.049 0.000 1.235 50 H CA -0.961 55.084 56.048 -0.005 0.000 1.149 50 H CB 1.787 31.496 29.762 -0.088 0.000 1.885 50 H HN 0.502 nan 8.280 nan 0.000 0.558 51 M N 0.927 120.654 119.600 0.212 0.000 2.331 51 M HA -0.151 4.329 4.480 0.001 0.000 0.260 51 M C 2.025 178.395 176.300 0.116 0.000 1.072 51 M CA 2.095 57.468 55.300 0.122 0.000 1.065 51 M CB -0.396 32.241 32.600 0.062 0.000 1.392 51 M HN 0.885 nan 8.290 nan 0.000 0.427 52 G N -1.023 107.967 108.800 0.318 0.000 2.433 52 G HA2 -0.232 3.728 3.960 0.001 0.000 0.216 52 G HA3 -0.232 3.728 3.960 0.001 0.000 0.216 52 G C 0.940 175.825 174.900 -0.025 0.000 1.186 52 G CA 1.179 46.350 45.100 0.118 0.000 0.779 52 G HN 0.562 nan 8.290 nan 0.000 0.543 53 H N 0.824 119.843 119.070 -0.084 0.000 2.319 53 H HA -0.045 4.511 4.556 0.001 0.000 0.297 53 H C 2.992 178.318 175.328 -0.003 0.000 1.097 53 H CA 0.998 56.998 56.048 -0.080 0.000 1.285 53 H CB -0.059 29.603 29.762 -0.166 0.000 1.368 53 H HN 0.420 nan 8.280 nan 0.000 0.495 54 A N 1.143 124.037 122.820 0.123 0.000 1.884 54 A HA -0.241 4.079 4.320 0.001 0.000 0.219 54 A C 2.367 179.972 177.584 0.036 0.000 1.197 54 A CA 2.023 54.117 52.037 0.095 0.000 0.637 54 A CB -0.897 18.152 19.000 0.081 0.000 0.827 54 A HN 0.407 nan 8.150 nan 0.000 0.450 55 L N -0.023 121.176 121.223 -0.039 0.000 2.046 55 L HA -0.156 4.185 4.340 0.001 0.000 0.208 55 L C 1.987 178.734 176.870 -0.205 0.000 1.077 55 L CA 2.956 57.701 54.840 -0.159 0.000 0.747 55 L CB -0.644 41.254 42.059 -0.269 0.000 0.896 55 L HN 0.466 nan 8.230 nan 0.000 0.432 56 D N -0.574 119.746 120.400 -0.133 0.000 2.092 56 D HA -0.218 4.422 4.640 0.001 0.000 0.193 56 D C 1.819 178.183 176.300 0.106 0.000 0.994 56 D CA 1.749 55.772 54.000 0.039 0.000 0.828 56 D CB -0.079 40.862 40.800 0.235 0.000 0.963 56 D HN 0.452 nan 8.370 nan 0.000 0.450 57 N N -0.348 118.450 118.700 0.163 0.000 2.207 57 N HA -0.112 4.628 4.740 0.001 0.000 0.182 57 N C 1.812 177.404 175.510 0.138 0.000 1.020 57 N CA 0.776 53.991 53.050 0.275 0.000 0.858 57 N CB -0.510 38.201 38.487 0.373 0.000 0.991 57 N HN 0.114 nan 8.380 nan 0.000 0.427 58 S N 1.287 117.038 115.700 0.085 0.000 2.374 58 S HA -0.040 4.430 4.470 0.001 0.000 0.227 58 S C 2.049 176.607 174.600 -0.072 0.000 1.037 58 S CA 0.750 58.967 58.200 0.029 0.000 1.024 58 S CB -0.222 62.996 63.200 0.030 0.000 0.861 58 S HN 0.203 nan 8.310 nan 0.000 0.456 59 L N 0.821 121.982 121.223 -0.103 0.000 2.027 59 L HA -0.147 4.194 4.340 0.001 0.000 0.206 59 L C 2.898 179.638 176.870 -0.216 0.000 1.074 59 L CA 1.588 56.336 54.840 -0.153 0.000 0.745 59 L CB -0.491 41.484 42.059 -0.140 0.000 0.898 59 L HN 0.420 nan 8.230 nan 0.000 0.433 60 Q N -0.593 119.052 119.800 -0.258 0.000 2.002 60 Q HA -0.285 4.056 4.340 0.001 0.000 0.204 60 Q C 1.924 177.438 176.000 -0.811 0.000 0.988 60 Q CA 1.955 57.438 55.803 -0.532 0.000 0.843 60 Q CB -0.388 27.994 28.738 -0.593 0.000 0.908 60 Q HN 0.476 nan 8.270 nan 0.000 0.420 61 D N 0.407 120.304 120.400 -0.839 0.000 2.127 61 D HA -0.215 4.425 4.640 0.001 0.000 0.190 61 D C 1.822 177.872 176.300 -0.417 0.000 1.000 61 D CA 1.725 55.328 54.000 -0.663 0.000 0.839 61 D CB -0.038 40.627 40.800 -0.225 0.000 0.955 61 D HN 0.230 nan 8.370 nan 0.000 0.446 62 A N 0.597 123.255 122.820 -0.270 0.000 2.042 62 A HA -0.172 4.148 4.320 0.001 0.000 0.222 62 A C 2.622 180.111 177.584 -0.158 0.000 1.167 62 A CA 1.184 53.125 52.037 -0.160 0.000 0.649 62 A CB -0.666 18.288 19.000 -0.078 0.000 0.809 62 A HN 0.408 nan 8.150 nan 0.000 0.457 63 L N -0.956 120.113 121.223 -0.257 0.000 2.095 63 L HA -0.087 4.253 4.340 0.001 0.000 0.204 63 L C 2.404 179.016 176.870 -0.429 0.000 1.080 63 L CA 0.369 55.041 54.840 -0.281 0.000 0.759 63 L CB -0.421 41.511 42.059 -0.212 0.000 0.914 63 L HN 0.269 nan 8.230 nan 0.000 0.439 64 I N 0.314 120.640 120.570 -0.407 0.000 2.076 64 I HA -0.295 3.876 4.170 0.001 0.000 0.237 64 I C 2.776 178.670 176.117 -0.371 0.000 1.059 64 I CA 1.563 62.646 61.300 -0.362 0.000 1.317 64 I CB -1.145 36.633 38.000 -0.370 0.000 1.037 64 I HN 0.293 nan 8.210 nan 0.000 0.398 65 R N -0.372 119.925 120.500 -0.338 0.000 2.113 65 R HA -0.272 4.069 4.340 0.001 0.000 0.244 65 R C 2.318 178.467 176.300 -0.252 0.000 1.142 65 R CA 2.144 58.076 56.100 -0.279 0.000 0.953 65 R CB -1.214 28.921 30.300 -0.276 0.000 0.860 65 R HN 0.472 nan 8.270 nan 0.000 0.438 66 Y N 2.179 122.195 120.300 -0.473 0.000 2.089 66 Y HA -0.248 4.302 4.550 0.001 0.000 0.282 66 Y C 2.267 177.767 175.900 -0.667 0.000 1.139 66 Y CA 1.575 59.235 58.100 -0.734 0.000 1.123 66 Y CB -0.035 37.868 38.460 -0.928 0.000 0.980 66 Y HN -0.181 nan 8.280 nan 0.000 0.493 67 K N 0.751 120.661 120.400 -0.816 0.000 2.074 67 K HA -0.228 4.092 4.320 0.001 0.000 0.209 67 K C 2.187 178.522 176.600 -0.442 0.000 1.048 67 K CA 1.657 57.389 56.287 -0.925 0.000 0.926 67 K CB -0.718 30.943 32.500 -1.398 0.000 0.713 67 K HN 0.419 nan 8.250 nan 0.000 0.444 68 R N 1.192 121.492 120.500 -0.333 0.000 2.127 68 R HA -0.110 4.230 4.340 0.001 0.000 0.228 68 R C 2.290 178.527 176.300 -0.105 0.000 1.125 68 R CA 2.222 58.237 56.100 -0.142 0.000 0.904 68 R CB -0.364 29.849 30.300 -0.145 0.000 0.831 68 R HN 0.303 nan 8.270 nan 0.000 0.431 69 M N -0.089 119.437 119.600 -0.124 0.000 2.776 69 M HA 0.059 4.539 4.480 0.001 0.000 0.233 69 M C 1.278 177.533 176.300 -0.075 0.000 1.078 69 M CA 1.214 56.489 55.300 -0.040 0.000 1.058 69 M CB 0.192 32.823 32.600 0.051 0.000 1.611 69 M HN -0.082 nan 8.290 nan 0.000 0.541 70 R N 0.898 121.254 120.500 -0.238 0.000 2.308 70 R HA 0.307 4.647 4.340 0.001 0.000 0.202 70 R C 1.027 177.292 176.300 -0.058 0.000 0.898 70 R CA 1.100 57.020 56.100 -0.301 0.000 1.046 70 R CB 0.286 30.093 30.300 -0.823 0.000 1.026 70 R HN 0.618 nan 8.270 nan 0.000 0.512 71 G N -1.451 107.345 108.800 -0.006 0.000 2.183 71 G HA2 -0.158 3.802 3.960 0.001 0.000 0.168 71 G HA3 -0.158 3.802 3.960 0.001 0.000 0.168 71 G C -0.064 174.745 174.900 -0.152 0.000 1.008 71 G CA -0.325 44.723 45.100 -0.087 0.000 0.677 71 G HN 0.168 nan 8.290 nan 0.000 0.498 72 F N 0.243 120.122 119.950 -0.118 0.000 2.525 72 F HA 0.690 5.218 4.527 0.001 0.000 0.346 72 F C 0.681 176.470 175.800 -0.019 0.000 1.072 72 F CA -1.122 56.846 58.000 -0.053 0.000 1.033 72 F CB 0.912 39.885 39.000 -0.045 0.000 1.324 72 F HN -0.234 nan 8.300 nan 0.000 0.491 73 E N 1.604 121.957 120.200 0.255 0.000 1.936 73 E HA 0.288 4.638 4.350 0.001 0.000 0.267 73 E C -0.743 175.921 176.600 0.107 0.000 1.076 73 E CA -0.366 56.125 56.400 0.153 0.000 0.870 73 E CB 1.030 30.833 29.700 0.171 0.000 1.093 73 E HN 0.571 nan 8.360 nan 0.000 0.411 74 A N 3.623 126.487 122.820 0.074 0.000 2.444 74 A HA 0.239 4.559 4.320 0.001 0.000 0.287 74 A C 0.122 177.683 177.584 -0.039 0.000 1.195 74 A CA -0.326 51.737 52.037 0.043 0.000 0.858 74 A CB 0.001 18.983 19.000 -0.030 0.000 1.117 74 A HN 0.272 nan 8.150 nan 0.000 0.521 75 V N 3.629 123.455 119.914 -0.147 0.000 2.350 75 V HA 0.359 4.479 4.120 0.001 0.000 0.285 75 V C -0.776 175.206 176.094 -0.186 0.000 1.014 75 V CA -0.498 61.623 62.300 -0.299 0.000 0.831 75 V CB 0.854 32.213 31.823 -0.775 0.000 1.000 75 V HN 0.888 nan 8.190 nan 0.000 0.433 76 W N 7.406 128.516 121.300 -0.316 0.000 2.463 76 W HA 0.610 5.270 4.660 0.001 0.000 0.316 76 W C -1.380 174.982 176.519 -0.261 0.000 1.004 76 W CA -1.661 55.513 57.345 -0.285 0.000 1.309 76 W CB 1.432 30.746 29.460 -0.243 0.000 1.288 76 W HN 0.299 nan 8.180 nan 0.000 0.423 77 L N 9.226 130.389 121.223 -0.100 0.000 2.325 77 L HA 0.331 4.671 4.340 0.001 0.000 0.284 77 L C -1.686 175.092 176.870 -0.152 0.000 1.089 77 L CA -1.789 52.969 54.840 -0.137 0.000 0.836 77 L CB -0.177 41.864 42.059 -0.030 0.000 1.184 77 L HN 0.251 nan 8.230 nan 0.000 0.444 78 P HA 0.639 nan 4.420 nan 0.000 0.280 78 P C -0.209 177.203 177.300 0.187 0.000 1.272 78 P CA -0.260 62.726 63.100 -0.190 0.000 0.819 78 P CB 2.576 34.026 31.700 -0.417 0.000 1.122 79 G N -0.621 108.368 108.800 0.314 0.000 2.338 79 G HA2 0.519 4.479 3.960 0.001 0.000 0.295 79 G HA3 0.519 4.479 3.960 0.001 0.000 0.295 79 G C -1.594 173.497 174.900 0.318 0.000 1.461 79 G CA -0.549 44.833 45.100 0.471 0.000 0.817 79 G HN 0.706 nan 8.290 nan 0.000 0.556 80 T N -1.281 113.479 114.554 0.343 0.000 2.921 80 T HA 0.610 4.961 4.350 0.001 0.000 0.297 80 T C -1.378 173.486 174.700 0.273 0.000 1.013 80 T CA -0.721 61.492 62.100 0.189 0.000 0.990 80 T CB 2.392 71.336 68.868 0.127 0.000 1.023 80 T HN 0.517 nan 8.240 nan 0.000 0.447 81 D N 1.305 121.713 120.400 0.012 0.000 2.304 81 D HA 0.117 4.757 4.640 0.001 0.000 0.250 81 D C 1.539 177.959 176.300 0.200 0.000 1.107 81 D CA -0.410 53.580 54.000 -0.016 0.000 0.885 81 D CB 0.834 41.429 40.800 -0.342 0.000 1.192 81 D HN 0.793 nan 8.370 nan 0.000 0.436 82 H N 3.728 122.828 119.070 0.050 0.000 2.546 82 H HA 0.060 4.617 4.556 0.001 0.000 0.277 82 H C 1.206 176.686 175.328 0.254 0.000 1.004 82 H CA 1.069 57.251 56.048 0.223 0.000 1.231 82 H CB -0.393 29.218 29.762 -0.252 0.000 1.382 82 H HN 0.486 nan 8.280 nan 0.000 0.580 83 A N -0.163 122.465 122.820 -0.321 0.000 4.284 83 A HA -0.273 4.047 4.320 0.001 0.000 0.264 83 A C 2.203 179.611 177.584 -0.294 0.000 0.856 83 A CA 2.302 54.163 52.037 -0.293 0.000 1.165 83 A CB -2.185 16.795 19.000 -0.034 0.000 1.059 83 A HN 1.598 nan 8.150 nan 0.000 0.803 84 G N -0.813 107.820 108.800 -0.279 0.000 2.629 84 G HA2 -0.239 3.722 3.960 0.001 0.000 0.313 84 G HA3 -0.239 3.722 3.960 0.001 0.000 0.313 84 G C 1.181 176.184 174.900 0.171 0.000 1.217 84 G CA 2.016 47.133 45.100 0.029 0.000 0.994 84 G HN 2.031 nan 8.290 nan 0.000 0.549 85 I N 1.873 122.485 120.570 0.070 0.000 2.147 85 I HA -0.155 4.015 4.170 0.001 0.000 0.245 85 I C 3.064 179.190 176.117 0.015 0.000 1.059 85 I CA 2.882 64.210 61.300 0.045 0.000 1.320 85 I CB -1.133 36.891 38.000 0.040 0.000 1.021 85 I HN 1.254 nan 8.210 nan 0.000 0.415 86 A N -0.567 122.262 122.820 0.016 0.000 1.837 86 A HA -0.293 4.028 4.320 0.001 0.000 0.216 86 A C 2.359 179.921 177.584 -0.037 0.000 1.210 86 A CA 3.335 55.373 52.037 0.002 0.000 0.632 86 A CB -1.724 17.284 19.000 0.014 0.000 0.843 86 A HN 0.518 nan 8.150 nan 0.000 0.448 87 T N -0.376 114.169 114.554 -0.015 0.000 2.685 87 T HA -0.274 4.076 4.350 0.001 0.000 0.268 87 T C 2.015 176.538 174.700 -0.294 0.000 1.034 87 T CA 2.007 64.032 62.100 -0.124 0.000 1.149 87 T CB -0.423 68.417 68.868 -0.046 0.000 0.860 87 T HN 0.616 nan 8.240 nan 0.000 0.449 88 Q N 1.014 120.685 119.800 -0.216 0.000 2.012 88 Q HA -0.185 4.156 4.340 0.001 0.000 0.211 88 Q C 2.205 178.132 176.000 -0.122 0.000 1.009 88 Q CA 2.436 58.155 55.803 -0.140 0.000 0.866 88 Q CB -0.874 27.862 28.738 -0.002 0.000 0.945 88 Q HN 0.421 nan 8.270 nan 0.000 0.414 89 V N -0.255 119.587 119.914 -0.119 0.000 2.219 89 V HA -0.333 3.787 4.120 0.001 0.000 0.248 89 V C 2.395 178.380 176.094 -0.182 0.000 1.053 89 V CA 1.960 64.184 62.300 -0.128 0.000 1.009 89 V CB -1.173 30.588 31.823 -0.103 0.000 0.636 89 V HN 0.403 nan 8.190 nan 0.000 0.445 90 V N 0.226 119.996 119.914 -0.240 0.000 2.277 90 V HA -0.320 3.801 4.120 0.001 0.000 0.255 90 V C 2.362 178.153 176.094 -0.505 0.000 1.074 90 V CA 2.530 64.606 62.300 -0.374 0.000 1.058 90 V CB -0.897 30.643 31.823 -0.472 0.000 0.656 90 V HN 0.459 nan 8.190 nan 0.000 0.449 91 V N -0.682 118.907 119.914 -0.542 0.000 2.283 91 V HA -0.226 3.894 4.120 0.001 0.000 0.243 91 V C 2.347 178.320 176.094 -0.202 0.000 1.039 91 V CA 2.040 64.041 62.300 -0.498 0.000 1.016 91 V CB -0.719 30.764 31.823 -0.566 0.000 0.650 91 V HN 0.593 nan 8.190 nan 0.000 0.449 92 E N 0.516 120.687 120.200 -0.048 0.000 2.049 92 E HA -0.241 4.109 4.350 0.001 0.000 0.198 92 E C 1.993 178.564 176.600 -0.050 0.000 1.007 92 E CA 1.420 57.851 56.400 0.052 0.000 0.809 92 E CB 0.025 29.712 29.700 -0.022 0.000 0.749 92 E HN 0.456 nan 8.360 nan 0.000 0.450 93 R N -0.068 120.367 120.500 -0.108 0.000 2.847 93 R HA -0.005 4.335 4.340 0.001 0.000 0.157 93 R C 1.803 178.032 176.300 -0.117 0.000 0.803 93 R CA 0.268 56.304 56.100 -0.106 0.000 1.442 93 R CB -0.368 29.861 30.300 -0.118 0.000 0.748 93 R HN 0.176 nan 8.270 nan 0.000 0.554 94 L N -0.193 120.962 121.223 -0.114 0.000 3.805 94 L HA -0.485 3.856 4.340 0.001 0.000 0.076 94 L C 2.338 179.150 176.870 -0.096 0.000 3.610 94 L CA 1.700 56.477 54.840 -0.105 0.000 1.426 94 L CB -1.652 40.318 42.059 -0.147 0.000 3.028 94 L HN 0.570 nan 8.230 nan 0.000 0.661 95 L N -1.345 119.794 121.223 -0.140 0.000 2.173 95 L HA -0.340 4.000 4.340 0.001 0.000 0.239 95 L C 2.382 179.225 176.870 -0.045 0.000 1.123 95 L CA 2.676 57.456 54.840 -0.101 0.000 0.847 95 L CB -1.606 40.343 42.059 -0.184 0.000 0.940 95 L HN 0.463 nan 8.230 nan 0.000 0.450 96 L N -1.284 119.914 121.223 -0.041 0.000 1.995 96 L HA -0.127 4.213 4.340 0.001 0.000 0.206 96 L C 2.636 179.512 176.870 0.010 0.000 1.098 96 L CA 0.873 55.720 54.840 0.012 0.000 0.762 96 L CB -0.600 41.494 42.059 0.058 0.000 0.900 96 L HN 0.175 nan 8.230 nan 0.000 0.441 97 K N 0.294 120.692 120.400 -0.003 0.000 2.052 97 K HA -0.266 4.055 4.320 0.001 0.000 0.215 97 K C 1.957 178.554 176.600 -0.005 0.000 1.053 97 K CA 2.121 58.406 56.287 -0.004 0.000 0.934 97 K CB -0.343 32.144 32.500 -0.022 0.000 0.717 97 K HN 0.392 nan 8.250 nan 0.000 0.450 98 E N -0.233 119.957 120.200 -0.016 0.000 2.007 98 E HA -0.144 4.206 4.350 0.001 0.000 0.194 98 E C 2.278 178.878 176.600 -0.000 0.000 0.999 98 E CA 1.027 57.421 56.400 -0.011 0.000 0.811 98 E CB -0.398 29.291 29.700 -0.018 0.000 0.762 98 E HN 0.468 nan 8.360 nan 0.000 0.450 99 G N 0.880 109.680 108.800 -0.000 0.000 2.597 99 G HA2 -0.310 3.651 3.960 0.001 0.000 0.222 99 G HA3 -0.310 3.651 3.960 0.001 0.000 0.222 99 G C 1.500 176.412 174.900 0.020 0.000 1.135 99 G CA 1.617 46.725 45.100 0.012 0.000 0.759 99 G HN 0.053 nan 8.290 nan 0.000 0.595 100 K N -2.607 117.807 120.400 0.023 0.000 3.069 100 K HA 0.066 4.386 4.320 0.001 0.000 0.280 100 K C -0.454 176.166 176.600 0.032 0.000 2.717 100 K CA 1.231 57.535 56.287 0.029 0.000 1.549 100 K CB -0.028 32.496 32.500 0.040 0.000 2.952 100 K HN 0.412 nan 8.250 nan 0.000 0.391 101 T N 0.061 114.648 114.554 0.054 0.000 3.237 101 T HA 0.397 4.747 4.350 0.001 0.000 0.319 101 T C 0.257 175.016 174.700 0.098 0.000 1.037 101 T CA -0.622 61.522 62.100 0.074 0.000 1.048 101 T CB 2.701 71.627 68.868 0.097 0.000 1.081 101 T HN 0.214 nan 8.240 nan 0.000 0.455 102 R N 1.992 122.534 120.500 0.069 0.000 2.115 102 R HA -0.120 4.221 4.340 0.001 0.000 0.230 102 R C 0.978 177.309 176.300 0.052 0.000 1.111 102 R CA 1.401 57.529 56.100 0.046 0.000 0.976 102 R CB -1.455 28.833 30.300 -0.021 0.000 0.870 102 R HN 0.898 nan 8.270 nan 0.000 0.445 103 H N 2.576 121.637 119.070 -0.014 0.000 2.488 103 H HA -0.144 4.412 4.556 0.001 0.000 0.279 103 H C -0.903 174.436 175.328 0.017 0.000 0.648 103 H CA 0.738 56.783 56.048 -0.005 0.000 1.242 103 H CB -1.739 28.029 29.762 0.010 0.000 1.398 103 H HN 0.433 nan 8.280 nan 0.000 0.524 104 D N 2.955 123.212 120.400 -0.238 0.000 7.454 104 D HA -0.206 4.434 4.640 0.001 0.000 0.105 104 D C 1.190 177.410 176.300 -0.133 0.000 1.062 104 D CA 1.322 55.216 54.000 -0.176 0.000 0.793 104 D CB 0.053 40.765 40.800 -0.147 0.000 1.574 104 D HN 0.718 nan 8.370 nan 0.000 0.900 105 L N 0.337 121.593 121.223 0.054 0.000 2.872 105 L HA 0.540 4.880 4.340 0.001 0.000 0.245 105 L C 0.814 177.766 176.870 0.137 0.000 1.211 105 L CA -0.073 54.826 54.840 0.098 0.000 1.013 105 L CB -0.222 41.937 42.059 0.167 0.000 1.326 105 L HN 0.507 nan 8.230 nan 0.000 0.525 106 G N 1.051 109.934 108.800 0.139 0.000 2.690 106 G HA2 -0.232 3.729 3.960 0.001 0.000 0.686 106 G HA3 -0.232 3.729 3.960 0.001 0.000 0.686 106 G C -0.069 174.822 174.900 -0.016 0.000 1.277 106 G CA -0.048 45.090 45.100 0.063 0.000 0.799 106 G HN 0.377 nan 8.290 nan 0.000 0.613 107 R N -0.152 120.097 120.500 -0.419 0.000 2.307 107 R HA 0.102 4.442 4.340 0.001 0.000 0.199 107 R C 1.932 178.077 176.300 -0.258 0.000 1.000 107 R CA 1.556 57.081 56.100 -0.959 0.000 1.023 107 R CB -0.006 29.587 30.300 -1.179 0.000 0.908 107 R HN 0.715 nan 8.270 nan 0.000 0.473 108 E N -0.034 120.133 120.200 -0.056 0.000 2.101 108 E HA -0.046 4.304 4.350 0.001 0.000 0.194 108 E C 1.096 177.785 176.600 0.148 0.000 0.950 108 E CA -0.129 56.304 56.400 0.055 0.000 0.917 108 E CB 0.200 29.918 29.700 0.029 0.000 0.963 108 E HN -0.057 nan 8.360 nan 0.000 0.476 109 K N 0.458 120.941 120.400 0.138 0.000 2.242 109 K HA -0.201 4.119 4.320 0.001 0.000 0.206 109 K C 1.921 178.657 176.600 0.227 0.000 1.045 109 K CA 1.120 57.502 56.287 0.158 0.000 0.930 109 K CB -0.488 32.096 32.500 0.139 0.000 0.726 109 K HN 0.233 nan 8.250 nan 0.000 0.462 110 F N 1.145 121.183 119.950 0.146 0.000 2.149 110 F HA -0.082 4.446 4.527 0.001 0.000 0.294 110 F C 1.941 177.854 175.800 0.188 0.000 1.095 110 F CA 0.792 58.907 58.000 0.192 0.000 1.276 110 F CB -0.166 39.056 39.000 0.370 0.000 1.023 110 F HN -0.154 nan 8.300 nan 0.000 0.480 111 L N 0.385 121.780 121.223 0.286 0.000 2.261 111 L HA -0.191 4.149 4.340 0.001 0.000 0.216 111 L C 2.093 179.155 176.870 0.320 0.000 1.114 111 L CA 1.621 56.632 54.840 0.284 0.000 0.777 111 L CB -1.106 41.210 42.059 0.428 0.000 0.910 111 L HN 0.345 nan 8.230 nan 0.000 0.440 112 E N -0.472 119.860 120.200 0.221 0.000 1.999 112 E HA -0.165 4.185 4.350 0.001 0.000 0.194 112 E C 2.135 178.819 176.600 0.140 0.000 0.995 112 E CA 0.438 56.966 56.400 0.213 0.000 0.825 112 E CB -0.069 29.712 29.700 0.135 0.000 0.777 112 E HN 0.203 nan 8.360 nan 0.000 0.459 113 R N 0.733 121.250 120.500 0.028 0.000 2.244 113 R HA -0.173 4.168 4.340 0.001 0.000 0.252 113 R C 2.127 178.350 176.300 -0.127 0.000 1.177 113 R CA 0.794 56.871 56.100 -0.038 0.000 1.004 113 R CB -0.502 29.754 30.300 -0.073 0.000 0.873 113 R HN 0.151 nan 8.270 nan 0.000 0.469 114 V N -1.490 118.257 119.914 -0.278 0.000 2.302 114 V HA -0.182 3.939 4.120 0.001 0.000 0.243 114 V C 1.888 177.878 176.094 -0.174 0.000 1.036 114 V CA 1.400 63.417 62.300 -0.471 0.000 1.020 114 V CB -0.548 30.675 31.823 -1.001 0.000 0.657 114 V HN 0.308 nan 8.190 nan 0.000 0.453 115 W N 0.521 121.835 121.300 0.024 0.000 2.335 115 W HA -0.206 4.455 4.660 0.001 0.000 0.311 115 W C 2.711 179.277 176.519 0.079 0.000 1.213 115 W CA 1.794 59.243 57.345 0.173 0.000 1.274 115 W CB -0.626 28.953 29.460 0.197 0.000 1.148 115 W HN 0.221 nan 8.180 nan 0.000 0.498 116 Q N -0.886 119.078 119.800 0.273 0.000 2.133 116 Q HA -0.302 4.038 4.340 0.001 0.000 0.208 116 Q C 2.142 178.209 176.000 0.110 0.000 0.991 116 Q CA 2.081 57.978 55.803 0.157 0.000 0.867 116 Q CB -1.009 27.803 28.738 0.124 0.000 0.911 116 Q HN 0.541 nan 8.270 nan 0.000 0.417 117 W N 1.695 122.966 121.300 -0.049 0.000 2.379 117 W HA -0.172 4.488 4.660 0.001 0.000 0.307 117 W C 1.794 178.273 176.519 -0.067 0.000 1.200 117 W CA 1.171 58.465 57.345 -0.086 0.000 1.297 117 W CB -0.199 29.160 29.460 -0.169 0.000 1.140 117 W HN 0.017 nan 8.180 nan 0.000 0.507 118 K N 1.198 121.579 120.400 -0.032 0.000 2.160 118 K HA -0.257 4.063 4.320 0.001 0.000 0.206 118 K C 1.587 178.056 176.600 -0.218 0.000 1.047 118 K CA 1.984 58.210 56.287 -0.102 0.000 0.930 118 K CB -0.239 32.288 32.500 0.046 0.000 0.720 118 K HN 0.108 nan 8.250 nan 0.000 0.450 119 E N 0.931 121.052 120.200 -0.131 0.000 2.028 119 E HA -0.092 4.259 4.350 0.001 0.000 0.190 119 E C 1.915 178.367 176.600 -0.247 0.000 0.984 119 E CA 1.334 57.651 56.400 -0.137 0.000 0.800 119 E CB -0.070 29.606 29.700 -0.041 0.000 0.758 119 E HN 0.377 nan 8.360 nan 0.000 0.448 120 E N -0.001 120.004 120.200 -0.325 0.000 2.021 120 E HA -0.247 4.103 4.350 0.001 0.000 0.200 120 E C 2.151 178.455 176.600 -0.493 0.000 1.015 120 E CA 1.495 57.660 56.400 -0.391 0.000 0.824 120 E CB -0.379 29.038 29.700 -0.470 0.000 0.762 120 E HN 0.101 nan 8.360 nan 0.000 0.454 121 S N -0.091 115.120 115.700 -0.815 0.000 2.359 121 S HA -0.169 4.302 4.470 0.001 0.000 0.223 121 S C 2.145 176.535 174.600 -0.350 0.000 1.039 121 S CA 1.682 59.492 58.200 -0.651 0.000 1.042 121 S CB -0.730 61.989 63.200 -0.802 0.000 0.915 121 S HN 0.419 nan 8.310 nan 0.000 0.439 122 G N 0.063 108.671 108.800 -0.320 0.000 2.442 122 G HA2 -0.056 3.904 3.960 0.001 0.000 0.219 122 G HA3 -0.056 3.904 3.960 0.001 0.000 0.219 122 G C 1.437 176.222 174.900 -0.192 0.000 1.141 122 G CA 1.010 45.974 45.100 -0.226 0.000 0.763 122 G HN 0.644 nan 8.290 nan 0.000 0.554 123 G N 0.163 108.840 108.800 -0.204 0.000 2.404 123 G HA2 -0.125 3.836 3.960 0.001 0.000 0.215 123 G HA3 -0.125 3.836 3.960 0.001 0.000 0.215 123 G C 1.841 176.646 174.900 -0.159 0.000 1.174 123 G CA 1.691 46.690 45.100 -0.169 0.000 0.780 123 G HN 0.365 nan 8.290 nan 0.000 0.537 124 T N 1.588 116.041 114.554 -0.167 0.000 2.674 124 T HA -0.081 4.270 4.350 0.001 0.000 0.265 124 T C 2.376 177.011 174.700 -0.108 0.000 1.039 124 T CA 1.065 63.088 62.100 -0.129 0.000 1.150 124 T CB -0.238 68.548 68.868 -0.137 0.000 0.864 124 T HN 0.227 nan 8.240 nan 0.000 0.427 125 I N 0.788 121.285 120.570 -0.122 0.000 2.315 125 I HA -0.193 3.978 4.170 0.001 0.000 0.251 125 I C 2.184 178.246 176.117 -0.093 0.000 1.125 125 I CA 1.222 62.461 61.300 -0.101 0.000 1.392 125 I CB -0.426 37.504 38.000 -0.118 0.000 1.065 125 I HN 0.243 nan 8.210 nan 0.000 0.424 126 L N 0.144 121.283 121.223 -0.140 0.000 2.068 126 L HA -0.147 4.194 4.340 0.001 0.000 0.204 126 L C 2.558 179.299 176.870 -0.214 0.000 1.076 126 L CA 1.191 55.890 54.840 -0.234 0.000 0.753 126 L CB -0.521 41.346 42.059 -0.320 0.000 0.910 126 L HN 0.126 nan 8.230 nan 0.000 0.439 127 K N 0.145 120.456 120.400 -0.148 0.000 2.015 127 K HA -0.273 4.047 4.320 0.001 0.000 0.216 127 K C 2.085 178.673 176.600 -0.020 0.000 1.052 127 K CA 1.888 58.123 56.287 -0.087 0.000 0.937 127 K CB -0.357 32.107 32.500 -0.059 0.000 0.719 127 K HN 0.353 nan 8.250 nan 0.000 0.446 128 Q N 0.722 120.519 119.800 -0.005 0.000 2.047 128 Q HA -0.226 4.114 4.340 0.001 0.000 0.211 128 Q C 2.306 178.366 176.000 0.100 0.000 1.005 128 Q CA 1.827 57.659 55.803 0.048 0.000 0.866 128 Q CB -0.487 28.273 28.738 0.037 0.000 0.938 128 Q HN 0.328 nan 8.270 nan 0.000 0.414 129 L N 0.457 121.734 121.223 0.090 0.000 2.083 129 L HA -0.204 4.136 4.340 0.001 0.000 0.209 129 L C 2.457 179.490 176.870 0.273 0.000 1.083 129 L CA 0.926 55.884 54.840 0.197 0.000 0.752 129 L CB -0.457 41.752 42.059 0.250 0.000 0.899 129 L HN 0.167 nan 8.230 nan 0.000 0.433 130 K N 0.085 120.573 120.400 0.147 0.000 1.973 130 K HA -0.180 4.141 4.320 0.001 0.000 0.210 130 K C 2.148 178.957 176.600 0.348 0.000 1.045 130 K CA 1.067 57.481 56.287 0.212 0.000 0.937 130 K CB -0.559 31.943 32.500 0.003 0.000 0.721 130 K HN 0.016 nan 8.250 nan 0.000 0.438 131 R N 1.846 122.503 120.500 0.262 0.000 2.211 131 R HA -0.056 4.285 4.340 0.001 0.000 0.240 131 R C 1.820 178.368 176.300 0.414 0.000 1.144 131 R CA 1.078 57.362 56.100 0.308 0.000 0.992 131 R CB -0.732 29.660 30.300 0.153 0.000 0.869 131 R HN 0.224 nan 8.270 nan 0.000 0.462 132 L N -0.744 120.710 121.223 0.385 0.000 2.591 132 L HA 0.241 4.582 4.340 0.001 0.000 0.228 132 L C 0.799 178.011 176.870 0.571 0.000 1.133 132 L CA 0.443 55.529 54.840 0.409 0.000 0.880 132 L CB -0.329 41.900 42.059 0.284 0.000 1.033 132 L HN 0.515 nan 8.230 nan 0.000 0.450 133 G N 1.118 110.303 108.800 0.642 0.000 2.248 133 G HA2 -0.217 3.743 3.960 0.001 0.000 0.263 133 G HA3 -0.217 3.743 3.960 0.001 0.000 0.263 133 G C 0.234 175.232 174.900 0.165 0.000 1.082 133 G CA 0.057 45.357 45.100 0.333 0.000 0.863 133 G HN 0.470 nan 8.290 nan 0.000 0.495 134 A N 0.630 123.648 122.820 0.329 0.000 2.350 134 A HA 0.678 4.998 4.320 0.001 0.000 0.293 134 A C 1.287 178.998 177.584 0.212 0.000 1.231 134 A CA 0.711 52.960 52.037 0.353 0.000 0.883 134 A CB 0.259 19.495 19.000 0.393 0.000 1.133 134 A HN 1.808 nan 8.150 nan 0.000 0.533 135 S N 2.303 118.028 115.700 0.042 0.000 3.122 135 S HA 0.428 4.899 4.470 0.001 0.000 0.249 135 S C 0.554 175.062 174.600 -0.153 0.000 1.334 135 S CA 0.061 58.126 58.200 -0.225 0.000 1.251 135 S CB -0.503 62.266 63.200 -0.718 0.000 1.034 135 S HN 1.172 nan 8.310 nan 0.000 0.478 136 A N 1.366 123.888 122.820 -0.497 0.000 2.409 136 A HA 0.302 4.623 4.320 0.001 0.000 0.262 136 A C 0.592 177.526 177.584 -1.083 0.000 1.113 136 A CA -0.567 50.823 52.037 -1.078 0.000 0.790 136 A CB 0.137 17.830 19.000 -2.177 0.000 1.046 136 A HN 0.453 nan 8.150 nan 0.000 0.496 137 D N 2.941 123.007 120.400 -0.557 0.000 2.669 137 D HA -0.047 4.593 4.640 0.001 0.000 0.229 137 D C 0.409 176.558 176.300 -0.252 0.000 1.092 137 D CA -0.071 53.763 54.000 -0.276 0.000 1.175 137 D CB -0.433 40.288 40.800 -0.133 0.000 1.133 137 D HN 0.624 nan 8.370 nan 0.000 0.471 138 W N 0.976 122.284 121.300 0.012 0.000 2.504 138 W HA -0.204 4.456 4.660 0.001 0.000 0.257 138 W C 2.524 179.055 176.519 0.020 0.000 1.225 138 W CA 0.531 57.878 57.345 0.003 0.000 1.205 138 W CB -0.407 29.066 29.460 0.022 0.000 1.137 138 W HN 0.350 nan 8.180 nan 0.000 0.612 139 S N 0.751 116.558 115.700 0.179 0.000 2.515 139 S HA -0.030 4.440 4.470 0.001 0.000 0.231 139 S C 1.374 176.033 174.600 0.098 0.000 0.987 139 S CA 0.389 58.669 58.200 0.133 0.000 0.936 139 S CB -0.153 63.107 63.200 0.100 0.000 0.766 139 S HN 0.411 nan 8.310 nan 0.000 0.528 140 R N 1.031 121.576 120.500 0.075 0.000 2.629 140 R HA 0.291 4.631 4.340 0.001 0.000 0.386 140 R C -0.216 176.121 176.300 0.061 0.000 1.071 140 R CA -0.226 55.904 56.100 0.050 0.000 1.104 140 R CB 0.223 30.532 30.300 0.015 0.000 1.370 140 R HN 0.535 nan 8.270 nan 0.000 0.574 141 E N 2.362 122.641 120.200 0.133 0.000 2.603 141 E HA 0.047 4.397 4.350 0.001 0.000 0.242 141 E C -0.799 175.905 176.600 0.174 0.000 1.083 141 E CA -0.064 56.452 56.400 0.194 0.000 0.950 141 E CB 0.445 30.315 29.700 0.283 0.000 0.952 141 E HN 0.241 nan 8.360 nan 0.000 0.498 142 A N 4.950 127.873 122.820 0.171 0.000 2.303 142 A HA 0.498 4.818 4.320 0.001 0.000 0.317 142 A C -1.126 176.705 177.584 0.412 0.000 1.149 142 A CA -0.627 51.514 52.037 0.175 0.000 0.822 142 A CB 0.630 19.575 19.000 -0.093 0.000 1.131 142 A HN 0.616 nan 8.150 nan 0.000 0.493 143 F N 2.546 122.620 119.950 0.208 0.000 2.496 143 F HA 0.358 4.885 4.527 0.001 0.000 0.341 143 F C 1.520 177.447 175.800 0.212 0.000 1.134 143 F CA -0.322 57.815 58.000 0.228 0.000 0.968 143 F CB 1.095 40.197 39.000 0.171 0.000 1.205 143 F HN 0.775 nan 8.300 nan 0.000 0.436 144 T N 1.903 116.363 114.554 -0.156 0.000 2.771 144 T HA -0.315 4.036 4.350 0.001 0.000 0.262 144 T C 1.285 175.629 174.700 -0.593 0.000 1.027 144 T CA 2.057 63.995 62.100 -0.271 0.000 1.159 144 T CB -0.445 68.311 68.868 -0.187 0.000 0.844 144 T HN 0.663 nan 8.240 nan 0.000 0.478 145 M N 2.333 121.090 119.600 -1.405 0.000 2.756 145 M HA 0.249 4.729 4.480 0.001 0.000 0.320 145 M C -0.589 175.559 176.300 -0.252 0.000 1.245 145 M CA -0.515 54.301 55.300 -0.806 0.000 0.972 145 M CB 0.126 32.211 32.600 -0.859 0.000 1.327 145 M HN 0.416 nan 8.290 nan 0.000 0.505 146 D N -0.425 119.902 120.400 -0.121 0.000 2.294 146 D HA 0.076 4.716 4.640 0.001 0.000 0.250 146 D C 1.179 177.492 176.300 0.023 0.000 1.058 146 D CA -0.405 53.690 54.000 0.158 0.000 0.950 146 D CB 0.676 41.631 40.800 0.257 0.000 1.158 146 D HN 0.127 nan 8.370 nan 0.000 0.453 147 E N 2.084 122.308 120.200 0.040 0.000 2.113 147 E HA -0.413 3.937 4.350 0.001 0.000 0.210 147 E C 1.432 178.023 176.600 -0.015 0.000 1.040 147 E CA 1.719 58.119 56.400 -0.001 0.000 0.847 147 E CB -0.584 29.119 29.700 0.006 0.000 0.755 147 E HN 0.716 nan 8.360 nan 0.000 0.459 148 K N 0.401 120.802 120.400 0.001 0.000 2.209 148 K HA -0.115 4.205 4.320 0.001 0.000 0.204 148 K C 2.309 178.899 176.600 -0.018 0.000 1.048 148 K CA 1.129 57.412 56.287 -0.006 0.000 0.940 148 K CB 0.091 32.592 32.500 0.001 0.000 0.729 148 K HN -0.077 nan 8.250 nan 0.000 0.451 149 R N -0.180 120.299 120.500 -0.034 0.000 2.140 149 R HA 0.148 4.489 4.340 0.001 0.000 0.213 149 R C 2.091 178.323 176.300 -0.113 0.000 1.059 149 R CA 0.958 57.034 56.100 -0.040 0.000 1.000 149 R CB -0.099 30.189 30.300 -0.020 0.000 0.910 149 R HN 0.060 nan 8.270 nan 0.000 0.455 150 S N 0.344 115.906 115.700 -0.230 0.000 2.399 150 S HA -0.091 4.380 4.470 0.001 0.000 0.231 150 S C 1.692 176.172 174.600 -0.200 0.000 1.022 150 S CA 1.075 59.007 58.200 -0.447 0.000 0.983 150 S CB -0.113 62.851 63.200 -0.393 0.000 0.803 150 S HN 0.295 nan 8.310 nan 0.000 0.480 151 R N 1.206 121.668 120.500 -0.063 0.000 2.090 151 R HA 0.096 4.436 4.340 0.001 0.000 0.228 151 R C 2.608 178.895 176.300 -0.023 0.000 1.110 151 R CA 1.038 57.166 56.100 0.046 0.000 0.973 151 R CB -0.477 29.890 30.300 0.111 0.000 0.869 151 R HN 0.396 nan 8.270 nan 0.000 0.440 152 A N 1.209 124.035 122.820 0.010 0.000 1.940 152 A HA -0.163 4.158 4.320 0.001 0.000 0.219 152 A C 2.342 180.032 177.584 0.175 0.000 1.176 152 A CA 1.944 54.076 52.037 0.158 0.000 0.631 152 A CB -0.631 18.500 19.000 0.217 0.000 0.814 152 A HN 0.272 nan 8.150 nan 0.000 0.446 153 V N -2.562 117.364 119.914 0.020 0.000 2.300 153 V HA -0.071 4.049 4.120 0.001 0.000 0.241 153 V C 2.268 178.341 176.094 -0.035 0.000 1.034 153 V CA 1.623 63.881 62.300 -0.071 0.000 1.021 153 V CB -1.041 30.715 31.823 -0.110 0.000 0.662 153 V HN 0.479 nan 8.190 nan 0.000 0.458 154 R N -0.692 119.799 120.500 -0.016 0.000 2.185 154 R HA -0.248 4.093 4.340 0.001 0.000 0.247 154 R C 2.162 178.511 176.300 0.081 0.000 1.159 154 R CA 2.557 58.727 56.100 0.117 0.000 0.988 154 R CB -0.714 29.693 30.300 0.177 0.000 0.871 154 R HN 0.817 nan 8.270 nan 0.000 0.458 155 Y N -0.206 119.901 120.300 -0.322 0.000 2.230 155 Y HA 0.073 4.624 4.550 0.001 0.000 0.294 155 Y C 2.235 177.948 175.900 -0.311 0.000 1.120 155 Y CA 1.266 58.949 58.100 -0.695 0.000 1.129 155 Y CB -0.586 36.993 38.460 -1.468 0.000 1.040 155 Y HN 0.069 nan 8.280 nan 0.000 0.519 156 A N 0.808 123.584 122.820 -0.074 0.000 1.927 156 A HA -0.289 4.032 4.320 0.001 0.000 0.220 156 A C 2.166 179.835 177.584 0.143 0.000 1.185 156 A CA 2.091 54.136 52.037 0.013 0.000 0.639 156 A CB -1.674 17.492 19.000 0.278 0.000 0.820 156 A HN 0.697 nan 8.150 nan 0.000 0.451 157 F N 1.129 121.157 119.950 0.130 0.000 2.060 157 F HA -0.129 4.399 4.527 0.001 0.000 0.295 157 F C 2.742 178.675 175.800 0.222 0.000 1.120 157 F CA 1.834 60.047 58.000 0.354 0.000 1.205 157 F CB -1.018 38.143 39.000 0.268 0.000 0.986 157 F HN 0.261 nan 8.300 nan 0.000 0.470 158 S N 0.401 115.957 115.700 -0.240 0.000 2.372 158 S HA -0.363 4.107 4.470 0.001 0.000 0.227 158 S C 2.393 176.892 174.600 -0.170 0.000 1.044 158 S CA 1.961 59.974 58.200 -0.312 0.000 1.050 158 S CB -0.762 62.357 63.200 -0.134 0.000 0.901 158 S HN 0.561 nan 8.310 nan 0.000 0.447 159 R N -1.189 119.093 120.500 -0.362 0.000 2.193 159 R HA -0.011 4.329 4.340 0.001 0.000 0.229 159 R C 1.993 178.360 176.300 0.111 0.000 1.110 159 R CA 1.432 57.377 56.100 -0.258 0.000 0.988 159 R CB -0.437 29.454 30.300 -0.682 0.000 0.871 159 R HN 0.692 nan 8.270 nan 0.000 0.458 160 Y N -1.316 119.095 120.300 0.184 0.000 2.153 160 Y HA -0.235 4.315 4.550 0.001 0.000 0.289 160 Y C 2.033 178.016 175.900 0.137 0.000 1.119 160 Y CA 0.981 59.241 58.100 0.267 0.000 1.116 160 Y CB -0.324 38.340 38.460 0.340 0.000 1.004 160 Y HN 0.063 nan 8.280 nan 0.000 0.501 161 Y N 0.936 121.230 120.300 -0.010 0.000 1.993 161 Y HA -0.391 4.159 4.550 0.001 0.000 0.267 161 Y C 2.466 178.319 175.900 -0.079 0.000 1.155 161 Y CA 2.159 60.165 58.100 -0.156 0.000 1.105 161 Y CB -1.100 36.995 38.460 -0.607 0.000 0.960 161 Y HN 0.185 nan 8.280 nan 0.000 0.486 162 H N 0.038 119.373 119.070 0.441 0.000 2.566 162 H HA -0.091 4.465 4.556 0.001 0.000 0.285 162 H C 1.605 177.041 175.328 0.180 0.000 1.041 162 H CA 1.494 57.727 56.048 0.309 0.000 1.207 162 H CB -0.088 29.782 29.762 0.179 0.000 1.353 162 H HN 0.634 nan 8.280 nan 0.000 0.604 163 E N -0.948 119.411 120.200 0.264 0.000 2.460 163 E HA 0.114 4.464 4.350 0.001 0.000 0.200 163 E C 1.423 178.136 176.600 0.188 0.000 1.011 163 E CA 0.412 56.961 56.400 0.249 0.000 0.912 163 E CB 0.621 30.529 29.700 0.346 0.000 0.953 163 E HN 0.509 nan 8.360 nan 0.000 0.494 164 G N 1.080 109.950 108.800 0.118 0.000 2.659 164 G HA2 -0.360 3.600 3.960 0.001 0.000 0.212 164 G HA3 -0.360 3.600 3.960 0.001 0.000 0.212 164 G C 1.005 175.964 174.900 0.097 0.000 1.226 164 G CA 0.199 45.335 45.100 0.060 0.000 0.739 164 G HN 0.224 nan 8.290 nan 0.000 0.528 165 L N 1.404 122.713 121.223 0.142 0.000 2.386 165 L HA 0.079 4.420 4.340 0.001 0.000 0.220 165 L C 1.790 178.683 176.870 0.039 0.000 1.115 165 L CA 1.409 56.308 54.840 0.097 0.000 0.780 165 L CB -0.524 41.580 42.059 0.076 0.000 0.902 165 L HN 0.769 nan 8.230 nan 0.000 0.442 166 A N -0.732 122.143 122.820 0.093 0.000 2.293 166 A HA 0.535 4.856 4.320 0.001 0.000 0.312 166 A C -0.596 177.123 177.584 0.225 0.000 1.309 166 A CA -0.607 51.496 52.037 0.110 0.000 0.839 166 A CB 0.169 19.331 19.000 0.269 0.000 1.155 166 A HN 0.253 nan 8.150 nan 0.000 0.501 167 Y N 0.532 120.987 120.300 0.259 0.000 2.699 167 Y HA 0.890 5.441 4.550 0.001 0.000 0.326 167 Y C -0.014 176.012 175.900 0.210 0.000 1.141 167 Y CA -1.591 56.626 58.100 0.194 0.000 1.246 167 Y CB 0.975 39.462 38.460 0.044 0.000 1.426 167 Y HN 0.564 nan 8.280 nan 0.000 0.559 168 R N 1.093 121.716 120.500 0.205 0.000 2.514 168 R HA 0.807 5.147 4.340 0.001 0.000 0.296 168 R C -1.792 174.498 176.300 -0.017 0.000 1.012 168 R CA -0.080 55.859 56.100 -0.269 0.000 0.897 168 R CB 1.491 31.169 30.300 -1.037 0.000 1.184 168 R HN 1.171 nan 8.270 nan 0.000 0.440 169 A N 4.332 127.186 122.820 0.058 0.000 2.765 169 A HA 0.695 5.015 4.320 0.001 0.000 0.305 169 A C -2.554 175.013 177.584 -0.029 0.000 1.229 169 A CA -0.846 51.174 52.037 -0.028 0.000 0.653 169 A CB 1.273 20.225 19.000 -0.080 0.000 1.375 169 A HN 0.610 nan 8.150 nan 0.000 0.540 170 P HA 0.171 nan 4.420 nan 0.000 0.282 170 P C 0.233 177.509 177.300 -0.040 0.000 1.327 170 P CA -0.309 62.794 63.100 0.005 0.000 0.949 170 P CB 0.191 31.900 31.700 0.015 0.000 1.445 171 R N 1.880 122.223 120.500 -0.261 0.000 2.457 171 R HA -0.080 4.261 4.340 0.001 0.000 0.274 171 R C 0.530 176.656 176.300 -0.290 0.000 0.935 171 R CA 0.045 55.859 56.100 -0.477 0.000 1.115 171 R CB 0.167 29.738 30.300 -1.214 0.000 0.860 171 R HN 0.047 nan 8.270 nan 0.000 0.426 172 L N 4.931 125.903 121.223 -0.418 0.000 2.397 172 L HA 0.436 4.776 4.340 0.001 0.000 0.271 172 L C -0.241 176.711 176.870 0.136 0.000 1.148 172 L CA -0.473 54.274 54.840 -0.156 0.000 0.825 172 L CB 0.590 42.452 42.059 -0.330 0.000 1.117 172 L HN 0.439 nan 8.230 nan 0.000 0.456 173 V N 0.918 120.983 119.914 0.252 0.000 2.769 173 V HA 0.615 4.735 4.120 0.001 0.000 0.312 173 V C -0.028 176.150 176.094 0.141 0.000 1.058 173 V CA -0.979 61.498 62.300 0.295 0.000 0.952 173 V CB 1.557 33.600 31.823 0.366 0.000 1.019 173 V HN 0.866 nan 8.190 nan 0.000 0.445 174 N N 4.296 123.026 118.700 0.050 0.000 2.401 174 N HA 0.180 4.921 4.740 0.001 0.000 0.255 174 N C -0.863 174.660 175.510 0.021 0.000 1.110 174 N CA -0.064 52.889 53.050 -0.161 0.000 0.949 174 N CB 0.879 39.278 38.487 -0.147 0.000 1.110 174 N HN 1.016 nan 8.380 nan 0.000 0.490 175 W N 4.030 125.225 121.300 -0.175 0.000 2.587 175 W HA 0.389 5.049 4.660 0.001 0.000 0.324 175 W C -1.059 175.409 176.519 -0.084 0.000 1.040 175 W CA -1.176 56.119 57.345 -0.084 0.000 1.222 175 W CB 1.433 30.856 29.460 -0.060 0.000 1.381 175 W HN 0.355 nan 8.180 nan 0.000 0.483 176 C N 10.387 129.249 119.300 -0.730 0.000 2.255 176 C HA 0.392 4.853 4.460 0.001 0.000 0.326 176 C C -0.681 173.750 174.990 -0.932 0.000 1.258 176 C CA -2.218 56.438 59.018 -0.602 0.000 1.676 176 C CB 0.567 28.065 27.740 -0.403 0.000 2.314 176 C HN 0.539 nan 8.230 nan 0.000 0.509 177 P HA -0.020 nan 4.420 nan 0.000 0.249 177 P C 0.954 178.170 177.300 -0.141 0.000 1.241 177 P CA 0.659 63.715 63.100 -0.072 0.000 0.781 177 P CB 0.103 31.916 31.700 0.188 0.000 1.088 178 R N 0.429 120.791 120.500 -0.231 0.000 2.062 178 R HA 0.068 4.408 4.340 0.001 0.000 0.218 178 R C 1.690 177.847 176.300 -0.237 0.000 1.161 178 R CA 1.821 57.811 56.100 -0.184 0.000 0.994 178 R CB -1.376 28.830 30.300 -0.156 0.000 0.888 178 R HN -0.021 nan 8.270 nan 0.000 0.442 179 C N 1.600 120.716 119.300 -0.306 0.000 2.562 179 C HA 0.290 4.750 4.460 0.001 0.000 0.266 179 C C -0.347 174.401 174.990 -0.403 0.000 1.382 179 C CA -0.056 58.769 59.018 -0.321 0.000 1.742 179 C CB -1.556 26.019 27.740 -0.274 0.000 1.812 179 C HN 0.692 nan 8.230 nan 0.000 0.559 180 E N 1.219 121.098 120.200 -0.536 0.000 2.393 180 E HA -0.189 4.161 4.350 0.001 0.000 0.169 180 E C 0.008 176.200 176.600 -0.680 0.000 1.591 180 E CA 0.800 56.831 56.400 -0.616 0.000 0.661 180 E CB -1.219 28.401 29.700 -0.134 0.000 1.097 180 E HN 0.679 nan 8.360 nan 0.000 0.356 181 T N -1.065 112.797 114.554 -1.153 0.000 2.831 181 T HA 0.369 4.719 4.350 0.001 0.000 0.333 181 T C -0.632 173.873 174.700 -0.325 0.000 1.684 181 T CA -0.190 61.644 62.100 -0.443 0.000 1.049 181 T CB 1.568 70.308 68.868 -0.214 0.000 1.518 181 T HN 0.290 nan 8.240 nan 0.000 0.491 182 T N 1.971 116.568 114.554 0.070 0.000 2.913 182 T HA 0.746 5.096 4.350 0.001 0.000 0.287 182 T C -0.273 174.444 174.700 0.029 0.000 1.008 182 T CA -0.575 61.605 62.100 0.134 0.000 1.067 182 T CB 0.744 69.751 68.868 0.232 0.000 0.996 182 T HN 0.425 nan 8.240 nan 0.000 0.513 183 L N 1.174 122.412 121.223 0.024 0.000 2.235 183 L HA 0.772 5.112 4.340 0.001 0.000 0.260 183 L C 0.522 177.424 176.870 0.054 0.000 1.025 183 L CA -0.807 54.050 54.840 0.027 0.000 0.836 183 L CB 1.784 43.836 42.059 -0.012 0.000 1.395 183 L HN 0.912 nan 8.230 nan 0.000 0.443 184 S N -1.382 114.357 115.700 0.066 0.000 2.718 184 S HA 0.329 4.799 4.470 0.001 0.000 0.300 184 S C 0.348 174.971 174.600 0.037 0.000 1.117 184 S CA -0.466 57.776 58.200 0.070 0.000 1.002 184 S CB 0.859 64.094 63.200 0.059 0.000 1.092 184 S HN 0.613 nan 8.310 nan 0.000 0.542 185 D N 1.337 121.767 120.400 0.050 0.000 2.104 185 D HA -0.091 4.549 4.640 0.001 0.000 0.194 185 D C 1.756 178.068 176.300 0.020 0.000 0.994 185 D CA 1.426 55.455 54.000 0.048 0.000 0.830 185 D CB -0.373 40.466 40.800 0.064 0.000 0.959 185 D HN 0.407 nan 8.370 nan 0.000 0.452 186 L N 0.797 122.012 121.223 -0.013 0.000 2.362 186 L HA -0.069 4.271 4.340 0.001 0.000 0.219 186 L C 1.893 178.715 176.870 -0.080 0.000 1.134 186 L CA 1.150 55.959 54.840 -0.052 0.000 0.807 186 L CB -0.446 41.530 42.059 -0.138 0.000 0.927 186 L HN 0.003 nan 8.230 nan 0.000 0.447 187 E N -1.090 119.079 120.200 -0.051 0.000 2.479 187 E HA 0.109 4.460 4.350 0.001 0.000 0.193 187 E C 0.037 176.634 176.600 -0.005 0.000 1.049 187 E CA -0.068 56.320 56.400 -0.020 0.000 0.870 187 E CB 0.780 30.497 29.700 0.028 0.000 0.944 187 E HN 0.179 nan 8.360 nan 0.000 0.492 188 V N 2.289 122.200 119.914 -0.004 0.000 2.459 188 V HA 0.187 4.308 4.120 0.001 0.000 0.295 188 V C -0.964 175.136 176.094 0.010 0.000 1.029 188 V CA -0.656 61.643 62.300 -0.003 0.000 0.874 188 V CB 1.551 33.368 31.823 -0.009 0.000 0.985 188 V HN 0.143 nan 8.190 nan 0.000 0.438 189 E N 3.456 123.662 120.200 0.010 0.000 2.195 189 E HA 0.663 5.013 4.350 0.001 0.000 0.271 189 E C -0.879 175.734 176.600 0.022 0.000 0.923 189 E CA -0.739 55.671 56.400 0.016 0.000 0.790 189 E CB 1.873 31.580 29.700 0.012 0.000 1.155 189 E HN 0.657 nan 8.360 nan 0.000 0.402 190 T N 0.798 115.367 114.554 0.025 0.000 2.809 190 T HA 0.437 4.788 4.350 0.001 0.000 0.296 190 T C -0.891 173.817 174.700 0.012 0.000 1.015 190 T CA -1.084 61.032 62.100 0.026 0.000 0.954 190 T CB 0.786 69.674 68.868 0.034 0.000 0.950 190 T HN 0.518 nan 8.240 nan 0.000 0.450 191 E N 2.171 122.375 120.200 0.007 0.000 2.182 191 E HA 0.545 4.896 4.350 0.001 0.000 0.258 191 E C -3.016 173.574 176.600 -0.016 0.000 0.879 191 E CA -2.822 53.575 56.400 -0.004 0.000 0.754 191 E CB 0.530 30.229 29.700 -0.001 0.000 1.162 191 E HN 0.284 nan 8.360 nan 0.000 0.419 192 P HA -0.092 nan 4.420 nan 0.000 0.264 192 P C -0.744 176.523 177.300 -0.054 0.000 1.156 192 P CA 0.653 63.719 63.100 -0.057 0.000 0.756 192 P CB 0.420 32.084 31.700 -0.061 0.000 0.764 193 T N 3.981 118.490 114.554 -0.076 0.000 2.956 193 T HA 0.389 4.739 4.350 0.001 0.000 0.312 193 T C -2.865 171.785 174.700 -0.083 0.000 1.151 193 T CA -1.350 60.713 62.100 -0.062 0.000 1.024 193 T CB 1.942 70.785 68.868 -0.043 0.000 1.140 193 T HN 0.215 nan 8.240 nan 0.000 0.473 194 P HA 0.366 nan 4.420 nan 0.000 0.271 194 P C -0.174 177.096 177.300 -0.050 0.000 1.226 194 P CA 0.223 63.291 63.100 -0.053 0.000 0.765 194 P CB 0.946 32.629 31.700 -0.029 0.000 0.835 195 G N 3.114 111.891 108.800 -0.039 0.000 3.247 195 G HA2 0.587 4.548 3.960 0.001 0.000 0.199 195 G HA3 0.587 4.548 3.960 0.001 0.000 0.199 195 G C -1.046 173.856 174.900 0.003 0.000 1.172 195 G CA -0.485 44.593 45.100 -0.036 0.000 0.844 195 G HN 0.314 nan 8.290 nan 0.000 0.619 196 K N 0.872 121.233 120.400 -0.064 0.000 2.761 196 K HA 0.258 4.579 4.320 0.001 0.000 0.257 196 K C -1.321 175.034 176.600 -0.407 0.000 1.053 196 K CA -0.346 55.880 56.287 -0.101 0.000 1.035 196 K CB 1.687 34.198 32.500 0.019 0.000 1.267 196 K HN 0.376 nan 8.250 nan 0.000 0.505 197 L N 4.294 125.442 121.223 -0.126 0.000 2.456 197 L HA 0.181 4.522 4.340 0.001 0.000 0.277 197 L C -0.840 176.012 176.870 -0.030 0.000 1.124 197 L CA -0.144 54.578 54.840 -0.196 0.000 0.880 197 L CB 0.024 41.898 42.059 -0.309 0.000 1.192 197 L HN 0.337 nan 8.230 nan 0.000 0.463 198 Y N 2.492 122.783 120.300 -0.015 0.000 2.330 198 Y HA 0.298 4.848 4.550 0.001 0.000 0.336 198 Y C 0.643 176.514 175.900 -0.048 0.000 1.036 198 Y CA -1.433 56.657 58.100 -0.016 0.000 1.125 198 Y CB 1.552 40.025 38.460 0.023 0.000 1.194 198 Y HN 0.363 nan 8.280 nan 0.000 0.469 199 T N 5.553 120.172 114.554 0.107 0.000 2.753 199 T HA 0.487 4.838 4.350 0.001 0.000 0.297 199 T C -0.404 174.284 174.700 -0.019 0.000 0.981 199 T CA -0.375 61.725 62.100 0.001 0.000 0.956 199 T CB 0.051 68.891 68.868 -0.046 0.000 0.936 199 T HN 0.176 nan 8.240 nan 0.000 0.463 200 L N 3.712 124.898 121.223 -0.062 0.000 2.334 200 L HA 0.691 5.031 4.340 0.001 0.000 0.270 200 L C 0.334 177.126 176.870 -0.130 0.000 1.018 200 L CA -0.501 54.273 54.840 -0.110 0.000 0.811 200 L CB 1.470 43.387 42.059 -0.237 0.000 1.271 200 L HN 0.523 nan 8.230 nan 0.000 0.443 201 R N 1.113 121.562 120.500 -0.085 0.000 2.698 201 R HA 0.623 4.963 4.340 0.001 0.000 0.275 201 R C -1.835 174.482 176.300 0.028 0.000 1.001 201 R CA -0.806 55.197 56.100 -0.162 0.000 0.896 201 R CB 2.382 32.425 30.300 -0.427 0.000 1.218 201 R HN 0.411 nan 8.270 nan 0.000 0.462 202 Y N 0.047 120.244 120.300 -0.172 0.000 2.625 202 Y HA 0.170 4.720 4.550 0.001 0.000 0.338 202 Y C -0.079 175.783 175.900 -0.062 0.000 1.123 202 Y CA -0.829 57.191 58.100 -0.133 0.000 1.046 202 Y CB 1.897 40.177 38.460 -0.300 0.000 1.299 202 Y HN 0.582 nan 8.280 nan 0.000 0.464 203 E N 0.862 120.835 120.200 -0.380 0.000 2.570 203 E HA 0.193 4.543 4.350 0.001 0.000 0.274 203 E C -1.358 175.217 176.600 -0.043 0.000 1.073 203 E CA 0.608 56.911 56.400 -0.160 0.000 1.005 203 E CB 0.491 30.130 29.700 -0.102 0.000 1.008 203 E HN 0.370 nan 8.360 nan 0.000 0.460 204 V N 2.098 122.067 119.914 0.091 0.000 3.007 204 V HA 0.097 4.217 4.120 0.001 0.000 0.311 204 V C -0.711 175.608 176.094 0.375 0.000 1.120 204 V CA -0.904 61.499 62.300 0.172 0.000 0.980 204 V CB 1.934 33.814 31.823 0.095 0.000 1.033 204 V HN 0.733 nan 8.190 nan 0.000 0.429 205 E N 1.852 122.318 120.200 0.444 0.000 2.491 205 E HA 0.370 4.720 4.350 0.001 0.000 0.250 205 E C 1.130 177.803 176.600 0.123 0.000 1.061 205 E CA 1.604 58.175 56.400 0.285 0.000 0.942 205 E CB -0.012 29.789 29.700 0.169 0.000 0.957 205 E HN 1.021 nan 8.360 nan 0.000 0.480 206 G N 3.266 112.111 108.800 0.075 0.000 4.148 206 G HA2 -0.387 3.574 3.960 0.001 0.000 0.221 206 G HA3 -0.387 3.574 3.960 0.001 0.000 0.221 206 G C 0.935 175.861 174.900 0.044 0.000 1.373 206 G CA 0.418 45.539 45.100 0.035 0.000 0.940 206 G HN 0.925 nan 8.290 nan 0.000 0.610 207 G N -0.731 108.100 108.800 0.051 0.000 2.913 207 G HA2 0.509 4.469 3.960 0.001 0.000 0.145 207 G HA3 0.509 4.469 3.960 0.001 0.000 0.145 207 G C 1.216 176.140 174.900 0.040 0.000 1.801 207 G CA 2.018 47.139 45.100 0.035 0.000 1.033 207 G HN 1.935 nan 8.290 nan 0.000 0.495 208 G N -2.619 106.207 108.800 0.043 0.000 3.988 208 G HA2 0.298 4.258 3.960 0.001 0.000 0.195 208 G HA3 0.298 4.258 3.960 0.001 0.000 0.195 208 G C -0.745 174.232 174.900 0.128 0.000 1.060 208 G CA -0.133 44.983 45.100 0.028 0.000 0.847 208 G HN 0.309 nan 8.290 nan 0.000 0.515 209 F N 0.533 120.436 119.950 -0.079 0.000 2.591 209 F HA 0.863 5.391 4.527 0.001 0.000 0.309 209 F C -1.491 174.247 175.800 -0.103 0.000 1.098 209 F CA -2.338 55.609 58.000 -0.088 0.000 0.937 209 F CB 2.414 41.392 39.000 -0.037 0.000 1.250 209 F HN -0.074 nan 8.300 nan 0.000 0.447 210 I N 3.676 124.119 120.570 -0.212 0.000 2.685 210 I HA 0.284 4.454 4.170 0.001 0.000 0.289 210 I C -1.589 174.290 176.117 -0.396 0.000 1.292 210 I CA -0.474 60.670 61.300 -0.260 0.000 1.050 210 I CB 2.008 39.921 38.000 -0.146 0.000 1.301 210 I HN 0.626 nan 8.210 nan 0.000 0.425 211 E N 7.355 127.362 120.200 -0.320 0.000 2.187 211 E HA 0.715 5.065 4.350 0.001 0.000 0.268 211 E C -1.317 175.190 176.600 -0.155 0.000 0.896 211 E CA -0.883 55.340 56.400 -0.296 0.000 0.766 211 E CB 2.884 32.399 29.700 -0.310 0.000 1.142 211 E HN 0.369 nan 8.360 nan 0.000 0.408 212 I N 1.664 122.152 120.570 -0.138 0.000 2.533 212 I HA 0.373 4.543 4.170 0.001 0.000 0.290 212 I C -1.186 174.895 176.117 -0.060 0.000 1.056 212 I CA -0.574 60.674 61.300 -0.087 0.000 1.057 212 I CB 2.135 40.078 38.000 -0.095 0.000 1.240 212 I HN 0.776 nan 8.210 nan 0.000 0.423 213 A N 4.544 127.353 122.820 -0.019 0.000 2.280 213 A HA 0.711 5.031 4.320 0.001 0.000 0.320 213 A C -0.220 177.383 177.584 0.033 0.000 1.366 213 A CA -0.299 51.740 52.037 0.004 0.000 0.938 213 A CB 0.330 19.326 19.000 -0.007 0.000 1.157 213 A HN 0.605 nan 8.150 nan 0.000 0.536 214 T N 1.490 116.046 114.554 0.003 0.000 2.863 214 T HA 0.408 4.759 4.350 0.001 0.000 0.285 214 T C 1.134 175.802 174.700 -0.052 0.000 1.009 214 T CA 0.023 62.116 62.100 -0.012 0.000 0.989 214 T CB 1.152 70.011 68.868 -0.015 0.000 1.004 214 T HN 0.964 nan 8.240 nan 0.000 0.455 215 V N 2.599 122.480 119.914 -0.055 0.000 2.871 215 V HA 0.413 4.533 4.120 0.001 0.000 0.256 215 V C 1.070 177.092 176.094 -0.121 0.000 1.082 215 V CA 0.718 62.955 62.300 -0.105 0.000 1.105 215 V CB -0.555 31.270 31.823 0.003 0.000 0.713 215 V HN 0.660 nan 8.190 nan 0.000 0.473 216 R N 0.587 121.067 120.500 -0.033 0.000 2.412 216 R HA 0.372 4.713 4.340 0.001 0.000 0.304 216 R C -2.244 174.106 176.300 0.083 0.000 1.066 216 R CA -1.833 54.281 56.100 0.024 0.000 0.923 216 R CB 2.182 32.509 30.300 0.046 0.000 1.156 216 R HN 0.174 nan 8.270 nan 0.000 0.513 217 P HA -0.156 nan 4.420 nan 0.000 0.216 217 P C 0.290 177.744 177.300 0.257 0.000 1.153 217 P CA 1.179 64.447 63.100 0.281 0.000 0.848 217 P CB 0.455 32.428 31.700 0.457 0.000 0.787 218 E N -0.638 119.712 120.200 0.249 0.000 2.097 218 E HA -0.185 4.165 4.350 0.001 0.000 0.196 218 E C 1.703 178.459 176.600 0.259 0.000 1.000 218 E CA 1.899 58.483 56.400 0.307 0.000 0.804 218 E CB -1.869 27.953 29.700 0.203 0.000 0.740 218 E HN 0.328 nan 8.360 nan 0.000 0.454 219 T N -0.845 113.774 114.554 0.109 0.000 3.541 219 T HA 0.004 4.354 4.350 0.001 0.000 0.255 219 T C 1.469 176.191 174.700 0.037 0.000 1.158 219 T CA 0.617 62.756 62.100 0.065 0.000 1.000 219 T CB -0.795 68.092 68.868 0.032 0.000 1.008 219 T HN 0.142 nan 8.240 nan 0.000 0.568 220 V N -2.440 117.429 119.914 -0.077 0.000 2.426 220 V HA 0.161 4.282 4.120 0.001 0.000 0.242 220 V C 2.152 178.077 176.094 -0.281 0.000 1.036 220 V CA 0.505 62.643 62.300 -0.270 0.000 1.044 220 V CB -1.388 30.144 31.823 -0.484 0.000 0.688 220 V HN 0.424 nan 8.190 nan 0.000 0.462 221 F N 2.366 122.352 119.950 0.059 0.000 2.236 221 F HA 0.046 4.573 4.527 0.001 0.000 0.302 221 F C 2.463 178.288 175.800 0.042 0.000 1.073 221 F CA 1.531 59.555 58.000 0.039 0.000 1.336 221 F CB -0.838 38.191 39.000 0.047 0.000 1.040 221 F HN 0.275 nan 8.300 nan 0.000 0.507 222 A N -0.934 122.016 122.820 0.217 0.000 2.302 222 A HA 0.063 4.384 4.320 0.001 0.000 0.219 222 A C 0.258 177.898 177.584 0.094 0.000 1.243 222 A CA -0.157 51.990 52.037 0.184 0.000 0.856 222 A CB -0.796 18.392 19.000 0.314 0.000 0.893 222 A HN 0.039 nan 8.150 nan 0.000 0.491 223 D N -0.100 120.318 120.400 0.030 0.000 2.368 223 D HA 0.251 4.891 4.640 0.001 0.000 0.240 223 D C 0.759 177.053 176.300 -0.009 0.000 1.169 223 D CA 0.374 54.367 54.000 -0.013 0.000 0.906 223 D CB 0.608 41.362 40.800 -0.076 0.000 1.187 223 D HN 0.144 nan 8.370 nan 0.000 0.435 224 Q N -0.731 119.058 119.800 -0.018 0.000 2.040 224 Q HA 0.467 4.808 4.340 0.001 0.000 0.212 224 Q C -0.782 175.202 176.000 -0.026 0.000 0.766 224 Q CA -0.132 55.662 55.803 -0.015 0.000 0.967 224 Q CB 1.464 30.195 28.738 -0.012 0.000 1.202 224 Q HN 0.506 nan 8.270 nan 0.000 0.446 225 A N 0.316 123.112 122.820 -0.041 0.000 2.517 225 A HA 0.506 4.827 4.320 0.001 0.000 0.296 225 A C -1.797 175.749 177.584 -0.063 0.000 0.983 225 A CA -0.633 51.372 52.037 -0.053 0.000 0.634 225 A CB 0.311 19.277 19.000 -0.058 0.000 1.341 225 A HN 0.014 nan 8.150 nan 0.000 0.438 226 I N 1.158 121.685 120.570 -0.072 0.000 2.378 226 I HA 0.609 4.780 4.170 0.001 0.000 0.291 226 I C 0.684 176.757 176.117 -0.073 0.000 0.992 226 I CA -0.274 60.983 61.300 -0.072 0.000 1.154 226 I CB 1.050 39.003 38.000 -0.079 0.000 1.315 226 I HN 0.978 nan 8.210 nan 0.000 0.448 227 A N 6.802 129.588 122.820 -0.057 0.000 2.301 227 A HA 0.744 5.064 4.320 0.001 0.000 0.312 227 A C -0.557 177.008 177.584 -0.030 0.000 1.182 227 A CA -0.403 51.603 52.037 -0.052 0.000 0.826 227 A CB 1.046 20.031 19.000 -0.025 0.000 1.134 227 A HN 0.462 nan 8.150 nan 0.000 0.501 228 V N 2.696 122.590 119.914 -0.034 0.000 2.686 228 V HA 0.216 4.336 4.120 0.001 0.000 0.306 228 V C -0.150 175.958 176.094 0.023 0.000 1.065 228 V CA -0.629 61.670 62.300 -0.001 0.000 0.894 228 V CB 1.702 33.507 31.823 -0.030 0.000 1.004 228 V HN 1.106 nan 8.190 nan 0.000 0.424 229 H N 7.029 126.092 119.070 -0.012 0.000 3.016 229 H HA 0.060 4.616 4.556 0.001 0.000 0.345 229 H C -1.907 173.418 175.328 -0.004 0.000 1.066 229 H CA -0.221 55.826 56.048 -0.002 0.000 1.390 229 H CB 1.236 31.001 29.762 0.005 0.000 1.344 229 H HN 0.344 nan 8.280 nan 0.000 0.605 230 P HA -0.054 nan 4.420 nan 0.000 0.225 230 P C 0.582 177.760 177.300 -0.202 0.000 1.156 230 P CA 1.070 63.963 63.100 -0.344 0.000 0.787 230 P CB 0.446 31.940 31.700 -0.343 0.000 0.802 231 E N -0.990 119.115 120.200 -0.159 0.000 2.511 231 E HA -0.016 4.335 4.350 0.001 0.000 0.209 231 E C 0.418 177.133 176.600 0.192 0.000 0.986 231 E CA 0.088 56.550 56.400 0.104 0.000 0.974 231 E CB -0.748 29.062 29.700 0.184 0.000 1.030 231 E HN -0.075 nan 8.360 nan 0.000 0.490 232 D N 0.859 121.415 120.400 0.260 0.000 2.826 232 D HA -0.065 4.576 4.640 0.001 0.000 0.247 232 D C 0.852 177.178 176.300 0.043 0.000 1.238 232 D CA 0.303 54.391 54.000 0.147 0.000 0.894 232 D CB -0.004 40.887 40.800 0.152 0.000 1.100 232 D HN 0.157 nan 8.370 nan 0.000 0.453 233 E N 0.033 120.262 120.200 0.048 0.000 2.208 233 E HA -0.345 4.005 4.350 0.001 0.000 0.202 233 E C 1.661 178.109 176.600 -0.253 0.000 1.014 233 E CA 1.046 57.451 56.400 0.007 0.000 0.819 233 E CB -0.431 29.412 29.700 0.238 0.000 0.735 233 E HN 0.405 nan 8.360 nan 0.000 0.469 234 R N -0.071 120.380 120.500 -0.082 0.000 2.770 234 R HA -0.314 4.027 4.340 0.001 0.000 0.309 234 R C 0.955 177.170 176.300 -0.142 0.000 0.534 234 R CA 2.104 58.169 56.100 -0.059 0.000 1.085 234 R CB -1.152 29.155 30.300 0.011 0.000 0.541 234 R HN 0.423 nan 8.270 nan 0.000 0.498 235 Y N 1.912 122.107 120.300 -0.176 0.000 2.687 235 Y HA 0.111 4.661 4.550 0.001 0.000 0.367 235 Y C -0.364 175.412 175.900 -0.207 0.000 1.119 235 Y CA 0.256 58.260 58.100 -0.161 0.000 1.459 235 Y CB -0.204 38.199 38.460 -0.096 0.000 1.399 235 Y HN 0.132 nan 8.280 nan 0.000 0.481 236 R N 1.360 121.628 120.500 -0.387 0.000 2.629 236 R HA 0.221 4.562 4.340 0.001 0.000 0.275 236 R C -1.056 175.002 176.300 -0.403 0.000 1.719 236 R CA -0.210 55.678 56.100 -0.354 0.000 1.472 236 R CB -0.134 30.064 30.300 -0.170 0.000 1.237 236 R HN 0.405 nan 8.270 nan 0.000 0.589 237 H N 2.142 121.159 119.070 -0.087 0.000 2.907 237 H HA 0.173 4.730 4.556 0.001 0.000 0.233 237 H C 0.802 176.086 175.328 -0.072 0.000 1.285 237 H CA -0.127 55.886 56.048 -0.059 0.000 0.981 237 H CB 0.650 30.390 29.762 -0.038 0.000 2.255 237 H HN 0.364 nan 8.280 nan 0.000 0.601 238 L N -2.047 119.163 121.223 -0.021 0.000 3.229 238 L HA 0.402 4.743 4.340 0.001 0.000 0.286 238 L C -0.440 176.407 176.870 -0.039 0.000 1.239 238 L CA -0.511 54.301 54.840 -0.046 0.000 1.035 238 L CB 0.532 42.519 42.059 -0.121 0.000 1.408 238 L HN -0.069 nan 8.230 nan 0.000 0.593 239 L N 2.680 123.892 121.223 -0.017 0.000 2.325 239 L HA 0.724 5.064 4.340 0.001 0.000 0.284 239 L C 0.877 177.740 176.870 -0.012 0.000 1.089 239 L CA 1.333 56.159 54.840 -0.022 0.000 0.836 239 L CB 0.469 42.525 42.059 -0.006 0.000 1.184 239 L HN 0.472 nan 8.230 nan 0.000 0.444 240 G N 2.684 111.472 108.800 -0.021 0.000 2.229 240 G HA2 -0.215 3.746 3.960 0.001 0.000 0.189 240 G HA3 -0.215 3.746 3.960 0.001 0.000 0.189 240 G C 0.504 175.407 174.900 0.004 0.000 1.000 240 G CA 0.011 45.103 45.100 -0.013 0.000 0.663 240 G HN 0.588 nan 8.290 nan 0.000 0.493 241 K N 0.238 120.646 120.400 0.014 0.000 2.761 241 K HA 0.810 5.130 4.320 0.001 0.000 0.286 241 K C 1.340 177.989 176.600 0.081 0.000 1.019 241 K CA -0.364 55.951 56.287 0.047 0.000 1.070 241 K CB 0.259 32.790 32.500 0.052 0.000 1.387 241 K HN 0.175 nan 8.250 nan 0.000 0.509 242 R N -0.654 119.946 120.500 0.167 0.000 3.139 242 R HA 0.811 5.151 4.340 0.001 0.000 0.218 242 R C -1.049 175.360 176.300 0.183 0.000 1.637 242 R CA -0.918 55.341 56.100 0.264 0.000 0.971 242 R CB 0.439 31.059 30.300 0.533 0.000 2.211 242 R HN 0.553 nan 8.270 nan 0.000 0.535 243 A N 1.183 124.058 122.820 0.091 0.000 2.104 243 A HA 0.158 4.478 4.320 0.001 0.000 0.294 243 A C -0.623 176.369 177.584 -0.987 0.000 0.988 243 A CA -0.674 51.131 52.037 -0.387 0.000 0.992 243 A CB 0.449 19.337 19.000 -0.186 0.000 1.198 243 A HN 0.580 nan 8.150 nan 0.000 0.345 244 R N 2.832 122.240 120.500 -1.821 0.000 2.734 244 R HA 0.436 4.776 4.340 0.001 0.000 0.266 244 R C 0.046 175.902 176.300 -0.740 0.000 1.044 244 R CA 0.270 55.421 56.100 -1.582 0.000 1.128 244 R CB 0.369 30.154 30.300 -0.858 0.000 1.010 244 R HN 1.110 nan 8.270 nan 0.000 0.461 245 I N 2.086 122.273 120.570 -0.640 0.000 2.412 245 I HA 0.459 4.630 4.170 0.001 0.000 0.296 245 I C -2.446 173.188 176.117 -0.805 0.000 0.987 245 I CA -3.148 57.794 61.300 -0.598 0.000 1.180 245 I CB 2.079 39.849 38.000 -0.384 0.000 1.340 245 I HN 0.508 nan 8.210 nan 0.000 0.455 246 P HA -0.116 nan 4.420 nan 0.000 0.260 246 P C 0.371 177.524 177.300 -0.245 0.000 1.147 246 P CA 0.410 62.917 63.100 -0.988 0.000 0.758 246 P CB 0.109 31.369 31.700 -0.733 0.000 0.744 247 L N -0.802 120.370 121.223 -0.085 0.000 4.977 247 L HA -0.254 4.087 4.340 0.001 0.000 0.398 247 L C 0.954 177.878 176.870 0.090 0.000 0.818 247 L CA 2.069 56.999 54.840 0.150 0.000 2.090 247 L CB -2.612 39.658 42.059 0.352 0.000 1.320 247 L HN 0.449 nan 8.230 nan 0.000 0.615 248 T N -1.334 113.210 114.554 -0.017 0.000 2.880 248 T HA 0.402 4.753 4.350 0.001 0.000 0.279 248 T C 0.799 175.500 174.700 0.001 0.000 0.990 248 T CA 0.263 62.376 62.100 0.022 0.000 0.938 248 T CB 2.109 70.985 68.868 0.013 0.000 1.206 248 T HN 0.197 nan 8.240 nan 0.000 0.573 249 E N 0.098 120.344 120.200 0.076 0.000 2.714 249 E HA 0.315 4.665 4.350 0.001 0.000 0.219 249 E C -0.719 176.053 176.600 0.287 0.000 0.979 249 E CA -0.093 56.430 56.400 0.204 0.000 1.092 249 E CB 0.250 30.069 29.700 0.198 0.000 1.049 249 E HN 0.341 nan 8.360 nan 0.000 0.487 250 V N 1.520 121.489 119.914 0.092 0.000 2.530 250 V HA 0.171 4.292 4.120 0.001 0.000 0.282 250 V C -0.503 175.560 176.094 -0.051 0.000 1.048 250 V CA -0.141 62.222 62.300 0.105 0.000 0.997 250 V CB 0.534 32.377 31.823 0.033 0.000 0.987 250 V HN 0.229 nan 8.190 nan 0.000 0.477 251 W N 5.463 126.764 121.300 0.002 0.000 2.299 251 W HA 0.600 5.261 4.660 0.001 0.000 0.319 251 W C -0.312 176.202 176.519 -0.009 0.000 1.008 251 W CA -0.696 56.648 57.345 -0.001 0.000 1.384 251 W CB 0.724 30.186 29.460 0.005 0.000 1.220 251 W HN 0.314 nan 8.180 nan 0.000 0.402 252 I N 6.776 127.358 120.570 0.020 0.000 2.720 252 I HA 0.241 4.411 4.170 0.001 0.000 0.287 252 I C -1.584 174.550 176.117 0.029 0.000 1.090 252 I CA -2.298 59.004 61.300 0.003 0.000 1.384 252 I CB 0.527 38.486 38.000 -0.069 0.000 1.420 252 I HN 0.088 nan 8.210 nan 0.000 0.575 253 P HA 0.340 nan 4.420 nan 0.000 0.296 253 P C -0.913 176.367 177.300 -0.033 0.000 1.301 253 P CA -0.504 62.600 63.100 0.007 0.000 0.862 253 P CB 1.396 33.096 31.700 -0.001 0.000 1.046 254 I N 4.396 124.947 120.570 -0.033 0.000 2.308 254 I HA 0.120 4.291 4.170 0.001 0.000 0.293 254 I C 0.510 176.577 176.117 -0.083 0.000 1.078 254 I CA -0.000 61.264 61.300 -0.059 0.000 1.292 254 I CB -0.211 37.758 38.000 -0.051 0.000 1.423 254 I HN 0.230 nan 8.210 nan 0.000 0.493 255 L N 4.761 125.910 121.223 -0.124 0.000 2.303 255 L HA 1.047 5.387 4.340 0.001 0.000 0.266 255 L C -0.056 176.696 176.870 -0.196 0.000 1.011 255 L CA -0.944 53.782 54.840 -0.190 0.000 0.818 255 L CB 1.161 43.032 42.059 -0.312 0.000 1.326 255 L HN 0.420 nan 8.230 nan 0.000 0.435 256 A N 0.314 123.005 122.820 -0.216 0.000 2.304 256 A HA 0.720 5.041 4.320 0.001 0.000 0.301 256 A C -0.847 176.639 177.584 -0.164 0.000 1.132 256 A CA -0.128 51.815 52.037 -0.156 0.000 0.819 256 A CB 0.429 19.361 19.000 -0.114 0.000 1.094 256 A HN 0.845 nan 8.150 nan 0.000 0.492 257 D N 1.595 121.958 120.400 -0.061 0.000 2.871 257 D HA 0.278 4.919 4.640 0.001 0.000 0.209 257 D C -2.555 173.758 176.300 0.020 0.000 1.292 257 D CA -1.015 53.030 54.000 0.074 0.000 0.869 257 D CB 1.986 42.869 40.800 0.138 0.000 1.663 257 D HN 0.062 nan 8.370 nan 0.000 0.557 258 P HA -0.076 nan 4.420 nan 0.000 0.219 258 P C 0.801 178.168 177.300 0.112 0.000 1.144 258 P CA 1.156 64.269 63.100 0.022 0.000 0.806 258 P CB 0.287 31.995 31.700 0.014 0.000 0.771 259 A N -1.304 121.564 122.820 0.080 0.000 2.259 259 A HA 0.112 4.432 4.320 0.001 0.000 0.208 259 A C 0.663 178.289 177.584 0.070 0.000 1.201 259 A CA 0.132 52.207 52.037 0.065 0.000 0.824 259 A CB -0.634 18.384 19.000 0.031 0.000 0.838 259 A HN -0.001 nan 8.150 nan 0.000 0.485 260 V N 1.411 121.399 119.914 0.122 0.000 2.461 260 V HA 0.159 4.280 4.120 0.001 0.000 0.275 260 V C 0.172 176.332 176.094 0.109 0.000 1.047 260 V CA -0.463 61.901 62.300 0.107 0.000 0.955 260 V CB 1.258 33.154 31.823 0.122 0.000 0.988 260 V HN 0.342 nan 8.190 nan 0.000 0.471 261 E N 5.345 125.577 120.200 0.052 0.000 1.963 261 E HA 0.124 4.474 4.350 0.001 0.000 0.274 261 E C 1.274 177.897 176.600 0.038 0.000 1.061 261 E CA -0.302 56.113 56.400 0.025 0.000 0.847 261 E CB 0.906 30.635 29.700 0.049 0.000 1.083 261 E HN 0.752 nan 8.360 nan 0.000 0.402 262 K N 3.076 123.448 120.400 -0.046 0.000 2.144 262 K HA -0.218 4.102 4.320 0.001 0.000 0.209 262 K C 0.263 176.857 176.600 -0.010 0.000 1.047 262 K CA 1.551 57.822 56.287 -0.028 0.000 0.927 262 K CB 0.141 32.579 32.500 -0.102 0.000 0.716 262 K HN 0.209 nan 8.250 nan 0.000 0.454 263 D N 0.045 120.438 120.400 -0.011 0.000 2.323 263 D HA -0.007 4.633 4.640 0.001 0.000 0.209 263 D C 0.310 176.613 176.300 0.004 0.000 0.973 263 D CA 0.259 54.252 54.000 -0.012 0.000 0.874 263 D CB -0.117 40.673 40.800 -0.017 0.000 0.930 263 D HN 0.158 nan 8.370 nan 0.000 0.521 264 F N 1.452 121.369 119.950 -0.055 0.000 2.399 264 F HA 0.373 4.900 4.527 0.001 0.000 0.342 264 F C 1.554 177.307 175.800 -0.079 0.000 1.106 264 F CA 0.212 58.176 58.000 -0.060 0.000 1.196 264 F CB 0.739 39.710 39.000 -0.048 0.000 1.163 264 F HN 0.162 nan 8.300 nan 0.000 0.547 265 G N 3.264 111.507 108.800 -0.928 0.000 2.616 265 G HA2 -0.338 3.622 3.960 0.001 0.000 0.361 265 G HA3 -0.338 3.622 3.960 0.001 0.000 0.361 265 G C -0.002 174.780 174.900 -0.196 0.000 1.361 265 G CA 0.382 45.176 45.100 -0.510 0.000 0.969 265 G HN 1.270 nan 8.290 nan 0.000 0.528 266 T N -1.671 112.823 114.554 -0.101 0.000 2.907 266 T HA 0.512 4.863 4.350 0.001 0.000 0.298 266 T C 1.562 176.265 174.700 0.004 0.000 1.017 266 T CA 0.674 62.739 62.100 -0.058 0.000 1.118 266 T CB 1.388 70.228 68.868 -0.047 0.000 0.948 266 T HN 1.859 nan 8.240 nan 0.000 0.531 267 G N 1.359 110.171 108.800 0.021 0.000 3.024 267 G HA2 0.394 4.354 3.960 0.001 0.000 0.202 267 G HA3 0.394 4.354 3.960 0.001 0.000 0.202 267 G C 0.375 175.306 174.900 0.053 0.000 1.195 267 G CA 0.032 45.159 45.100 0.044 0.000 0.924 267 G HN 1.280 nan 8.290 nan 0.000 0.500 268 A N -0.262 122.582 122.820 0.040 0.000 2.486 268 A HA 0.734 5.055 4.320 0.001 0.000 0.300 268 A C -0.651 176.939 177.584 0.011 0.000 1.048 268 A CA -0.845 51.202 52.037 0.017 0.000 0.696 268 A CB 1.342 20.333 19.000 -0.015 0.000 1.278 268 A HN 0.756 nan 8.150 nan 0.000 0.405 269 L N 0.023 121.245 121.223 -0.001 0.000 2.341 269 L HA 0.785 5.126 4.340 0.001 0.000 0.267 269 L C 0.143 176.991 176.870 -0.037 0.000 1.009 269 L CA -0.981 53.851 54.840 -0.014 0.000 0.819 269 L CB 1.516 43.565 42.059 -0.017 0.000 1.323 269 L HN 0.812 nan 8.230 nan 0.000 0.425 270 K N 1.501 121.873 120.400 -0.046 0.000 2.149 270 K HA 0.531 4.852 4.320 0.001 0.000 0.245 270 K C -1.208 175.367 176.600 -0.042 0.000 1.024 270 K CA -0.522 55.730 56.287 -0.058 0.000 0.899 270 K CB 1.425 33.883 32.500 -0.069 0.000 1.038 270 K HN 0.548 nan 8.250 nan 0.000 0.496 271 V N 1.490 121.382 119.914 -0.037 0.000 2.525 271 V HA 0.273 4.393 4.120 0.001 0.000 0.299 271 V C -1.024 175.069 176.094 -0.002 0.000 1.034 271 V CA -0.733 61.555 62.300 -0.020 0.000 0.863 271 V CB 1.927 33.737 31.823 -0.022 0.000 0.999 271 V HN 0.968 nan 8.190 nan 0.000 0.423 272 T N 6.305 120.870 114.554 0.017 0.000 3.296 272 T HA 0.251 4.602 4.350 0.001 0.000 0.333 272 T C -2.154 172.580 174.700 0.056 0.000 1.280 272 T CA -0.865 61.268 62.100 0.054 0.000 1.558 272 T CB 1.637 70.572 68.868 0.111 0.000 0.929 272 T HN 0.356 nan 8.240 nan 0.000 0.596 273 P HA -0.123 nan 4.420 nan 0.000 0.216 273 P C 1.524 178.910 177.300 0.143 0.000 1.150 273 P CA 0.802 63.957 63.100 0.091 0.000 0.843 273 P CB 0.167 31.842 31.700 -0.042 0.000 0.787 274 A N -1.668 121.144 122.820 -0.013 0.000 2.216 274 A HA -0.151 4.169 4.320 0.001 0.000 0.214 274 A C 1.232 178.541 177.584 -0.458 0.000 1.160 274 A CA 1.336 53.241 52.037 -0.220 0.000 0.725 274 A CB -0.993 17.789 19.000 -0.364 0.000 0.784 274 A HN 0.292 nan 8.150 nan 0.000 0.472 275 H N -1.620 117.492 119.070 0.070 0.000 3.052 275 H HA 0.209 4.766 4.556 0.001 0.000 0.257 275 H C -0.994 174.271 175.328 -0.105 0.000 1.193 275 H CA 0.095 56.173 56.048 0.051 0.000 1.072 275 H CB 0.725 30.524 29.762 0.062 0.000 1.685 275 H HN 0.579 nan 8.280 nan 0.000 0.630 276 D N 0.610 120.942 120.400 -0.113 0.000 2.787 276 D HA 0.031 4.672 4.640 0.001 0.000 0.215 276 D C -2.385 173.767 176.300 -0.246 0.000 1.246 276 D CA -1.303 52.439 54.000 -0.431 0.000 0.798 276 D CB 3.103 43.741 40.800 -0.269 0.000 1.649 276 D HN -0.140 nan 8.370 nan 0.000 0.507 277 P HA -0.170 nan 4.420 nan 0.000 0.214 277 P C 1.782 179.088 177.300 0.010 0.000 1.163 277 P CA 0.691 63.752 63.100 -0.064 0.000 0.889 277 P CB 0.470 32.168 31.700 -0.003 0.000 0.790 278 L N 0.634 121.831 121.223 -0.043 0.000 2.012 278 L HA -0.156 4.184 4.340 0.001 0.000 0.210 278 L C 1.867 178.742 176.870 0.009 0.000 1.073 278 L CA 2.178 57.008 54.840 -0.016 0.000 0.748 278 L CB -1.618 40.412 42.059 -0.047 0.000 0.891 278 L HN -0.173 nan 8.230 nan 0.000 0.431 279 D N -1.369 119.030 120.400 -0.001 0.000 2.084 279 D HA -0.270 4.370 4.640 0.001 0.000 0.194 279 D C 2.093 178.423 176.300 0.050 0.000 0.990 279 D CA 1.927 55.937 54.000 0.016 0.000 0.826 279 D CB -0.634 40.170 40.800 0.006 0.000 0.971 279 D HN 0.520 nan 8.370 nan 0.000 0.453 280 Y N 1.778 122.045 120.300 -0.054 0.000 2.193 280 Y HA -0.277 4.273 4.550 0.001 0.000 0.285 280 Y C 2.393 178.267 175.900 -0.044 0.000 1.166 280 Y CA 2.195 60.267 58.100 -0.047 0.000 1.181 280 Y CB 0.006 38.441 38.460 -0.042 0.000 0.976 280 Y HN -0.011 nan 8.280 nan 0.000 0.520 281 E N 0.471 120.778 120.200 0.180 0.000 2.017 281 E HA -0.249 4.101 4.350 0.001 0.000 0.193 281 E C 2.215 178.797 176.600 -0.032 0.000 0.997 281 E CA 2.228 58.678 56.400 0.082 0.000 0.804 281 E CB -0.436 29.308 29.700 0.073 0.000 0.757 281 E HN 0.711 nan 8.360 nan 0.000 0.448 282 I N -1.782 118.783 120.570 -0.008 0.000 2.361 282 I HA -0.033 4.137 4.170 0.001 0.000 0.251 282 I C 2.337 178.454 176.117 -0.000 0.000 1.133 282 I CA 1.458 62.763 61.300 0.008 0.000 1.413 282 I CB -0.893 37.145 38.000 0.064 0.000 1.073 282 I HN 0.114 nan 8.210 nan 0.000 0.424 283 G N 1.704 110.472 108.800 -0.054 0.000 2.476 283 G HA2 -0.218 3.742 3.960 0.001 0.000 0.218 283 G HA3 -0.218 3.742 3.960 0.001 0.000 0.218 283 G C 1.445 176.246 174.900 -0.165 0.000 1.164 283 G CA 0.876 45.917 45.100 -0.099 0.000 0.768 283 G HN 0.470 nan 8.290 nan 0.000 0.560 284 E N 0.385 120.422 120.200 -0.273 0.000 2.481 284 E HA 0.051 4.401 4.350 0.001 0.000 0.195 284 E C 2.422 178.890 176.600 -0.220 0.000 1.047 284 E CA 0.062 56.297 56.400 -0.276 0.000 0.867 284 E CB -0.058 29.421 29.700 -0.369 0.000 0.858 284 E HN 0.477 nan 8.360 nan 0.000 0.513 285 R N 0.079 120.434 120.500 -0.241 0.000 2.236 285 R HA 0.049 4.390 4.340 0.001 0.000 0.208 285 R C 0.907 176.835 176.300 -0.620 0.000 1.036 285 R CA 0.740 56.606 56.100 -0.390 0.000 1.001 285 R CB 0.166 30.214 30.300 -0.420 0.000 0.896 285 R HN 0.230 nan 8.270 nan 0.000 0.464 286 H N -0.864 118.155 119.070 -0.085 0.000 2.767 286 H HA 0.180 4.737 4.556 0.001 0.000 0.260 286 H C 0.240 175.521 175.328 -0.079 0.000 1.172 286 H CA 0.189 56.194 56.048 -0.071 0.000 1.048 286 H CB 0.947 30.672 29.762 -0.062 0.000 1.697 286 H HN 0.273 nan 8.280 nan 0.000 0.606 287 G N 2.297 111.062 108.800 -0.057 0.000 2.269 287 G HA2 -0.242 3.718 3.960 0.001 0.000 0.237 287 G HA3 -0.242 3.718 3.960 0.001 0.000 0.237 287 G C -0.336 174.534 174.900 -0.049 0.000 0.761 287 G CA 0.132 45.188 45.100 -0.073 0.000 1.141 287 G HN 0.325 nan 8.290 nan 0.000 0.319 288 L N 1.794 122.971 121.223 -0.078 0.000 2.409 288 L HA 0.483 4.824 4.340 0.001 0.000 0.272 288 L C -0.038 176.782 176.870 -0.084 0.000 0.980 288 L CA -1.485 53.320 54.840 -0.058 0.000 0.826 288 L CB 1.987 44.022 42.059 -0.040 0.000 1.268 288 L HN 0.156 nan 8.230 nan 0.000 0.407 289 K N 2.923 123.288 120.400 -0.057 0.000 2.412 289 K HA 0.256 4.577 4.320 0.001 0.000 0.281 289 K C -2.342 174.229 176.600 -0.048 0.000 1.027 289 K CA -1.082 55.171 56.287 -0.056 0.000 0.989 289 K CB -0.182 32.298 32.500 -0.033 0.000 0.935 289 K HN 0.195 nan 8.250 nan 0.000 0.475 290 P HA 0.099 nan 4.420 nan 0.000 0.271 290 P C -1.096 176.188 177.300 -0.026 0.000 1.233 290 P CA -0.523 62.557 63.100 -0.034 0.000 0.789 290 P CB 0.684 32.380 31.700 -0.007 0.000 0.951 291 V N 0.571 120.465 119.914 -0.033 0.000 2.781 291 V HA 0.341 4.461 4.120 0.001 0.000 0.289 291 V C -0.772 175.317 176.094 -0.008 0.000 1.275 291 V CA -0.377 61.917 62.300 -0.009 0.000 0.936 291 V CB 1.409 33.248 31.823 0.027 0.000 1.074 291 V HN 0.582 nan 8.190 nan 0.000 0.444 292 S N 4.395 120.086 115.700 -0.014 0.000 2.565 292 S HA 0.597 5.067 4.470 0.001 0.000 0.274 292 S C 0.765 175.494 174.600 0.214 0.000 1.309 292 S CA 0.222 58.464 58.200 0.070 0.000 1.043 292 S CB 1.617 64.811 63.200 -0.010 0.000 0.939 292 S HN 1.954 nan 8.310 nan 0.000 0.504 293 V N 3.021 123.180 119.914 0.409 0.000 3.562 293 V HA 0.543 4.663 4.120 0.001 0.000 0.270 293 V C 0.375 176.517 176.094 0.080 0.000 1.418 293 V CA -0.052 62.357 62.300 0.182 0.000 1.033 293 V CB -0.397 31.543 31.823 0.194 0.000 0.820 293 V HN 0.794 nan 8.190 nan 0.000 0.441 294 I N 2.873 123.514 120.570 0.117 0.000 2.533 294 I HA 0.581 4.752 4.170 0.001 0.000 0.290 294 I C -0.675 175.486 176.117 0.074 0.000 1.056 294 I CA -0.622 60.696 61.300 0.031 0.000 1.057 294 I CB 2.134 40.086 38.000 -0.080 0.000 1.240 294 I HN 0.462 nan 8.210 nan 0.000 0.423 295 N N 6.855 125.545 118.700 -0.018 0.000 2.418 295 N HA 0.263 5.003 4.740 0.001 0.000 0.283 295 N C 0.460 175.874 175.510 -0.161 0.000 1.267 295 N CA -0.629 52.363 53.050 -0.096 0.000 0.975 295 N CB 0.478 38.906 38.487 -0.098 0.000 1.167 295 N HN 0.674 nan 8.380 nan 0.000 0.581 296 L N -1.289 119.746 121.223 -0.313 0.000 2.362 296 L HA -0.023 4.317 4.340 0.001 0.000 0.219 296 L C 1.109 177.938 176.870 -0.068 0.000 1.134 296 L CA 1.204 55.763 54.840 -0.469 0.000 0.807 296 L CB -0.465 41.051 42.059 -0.904 0.000 0.927 296 L HN 0.575 nan 8.230 nan 0.000 0.447 297 E N 0.216 120.393 120.200 -0.038 0.000 2.481 297 E HA 0.072 4.422 4.350 0.001 0.000 0.195 297 E C 1.186 177.794 176.600 0.013 0.000 1.047 297 E CA 0.553 56.971 56.400 0.030 0.000 0.867 297 E CB 0.057 29.758 29.700 0.002 0.000 0.858 297 E HN 0.375 nan 8.360 nan 0.000 0.513 298 G N 1.549 110.344 108.800 -0.008 0.000 2.289 298 G HA2 -0.320 3.641 3.960 0.001 0.000 0.280 298 G HA3 -0.320 3.641 3.960 0.001 0.000 0.280 298 G C -0.361 174.504 174.900 -0.058 0.000 1.089 298 G CA 0.112 45.191 45.100 -0.036 0.000 0.939 298 G HN 0.142 nan 8.290 nan 0.000 0.499 299 R N -0.709 119.765 120.500 -0.044 0.000 2.725 299 R HA 0.611 4.951 4.340 0.001 0.000 0.277 299 R C 0.215 176.491 176.300 -0.039 0.000 0.987 299 R CA -1.311 54.764 56.100 -0.042 0.000 0.901 299 R CB 0.967 31.246 30.300 -0.036 0.000 1.207 299 R HN 0.182 nan 8.270 nan 0.000 0.463 300 M N 2.227 121.802 119.600 -0.042 0.000 2.248 300 M HA 0.120 4.600 4.480 0.001 0.000 0.337 300 M C -0.063 176.203 176.300 -0.056 0.000 1.121 300 M CA 0.629 55.896 55.300 -0.054 0.000 1.155 300 M CB -0.067 32.485 32.600 -0.080 0.000 1.514 300 M HN 0.711 nan 8.290 nan 0.000 0.452 301 E N 0.070 120.237 120.200 -0.054 0.000 2.500 301 E HA 0.685 5.036 4.350 0.001 0.000 0.288 301 E C -0.741 175.842 176.600 -0.028 0.000 1.147 301 E CA -0.624 55.748 56.400 -0.047 0.000 0.916 301 E CB 0.159 29.839 29.700 -0.034 0.000 1.181 301 E HN 0.973 nan 8.360 nan 0.000 0.433 302 G N 0.787 109.569 108.800 -0.030 0.000 2.359 302 G HA2 0.246 4.207 3.960 0.001 0.000 0.314 302 G HA3 0.246 4.207 3.960 0.001 0.000 0.314 302 G C 0.033 174.927 174.900 -0.011 0.000 1.364 302 G CA 0.029 45.125 45.100 -0.006 0.000 0.978 302 G HN 0.720 nan 8.290 nan 0.000 0.615 303 E N 0.268 120.475 120.200 0.012 0.000 1.997 303 E HA -0.115 4.235 4.350 0.001 0.000 0.201 303 E C 2.632 179.246 176.600 0.023 0.000 1.011 303 E CA 2.179 58.590 56.400 0.018 0.000 0.847 303 E CB -0.218 29.501 29.700 0.031 0.000 0.787 303 E HN 0.424 nan 8.360 nan 0.000 0.472 304 R N 0.431 120.967 120.500 0.061 0.000 2.115 304 R HA -0.073 4.268 4.340 0.001 0.000 0.239 304 R C 0.961 177.281 176.300 0.033 0.000 1.133 304 R CA 0.969 57.135 56.100 0.109 0.000 0.935 304 R CB -1.989 28.434 30.300 0.205 0.000 0.853 304 R HN 0.255 nan 8.270 nan 0.000 0.433 305 V N 4.888 124.742 119.914 -0.101 0.000 2.889 305 V HA -0.116 4.004 4.120 0.001 0.000 0.293 305 V C -1.686 174.179 176.094 -0.382 0.000 1.273 305 V CA -0.032 61.972 62.300 -0.493 0.000 1.365 305 V CB -0.399 31.224 31.823 -0.332 0.000 0.837 305 V HN 0.281 nan 8.190 nan 0.000 0.492 306 P HA 0.283 nan 4.420 nan 0.000 0.282 306 P C -0.431 176.757 177.300 -0.187 0.000 1.249 306 P CA -0.707 62.252 63.100 -0.235 0.000 0.806 306 P CB 0.910 32.517 31.700 -0.154 0.000 0.984 307 E N 1.912 122.053 120.200 -0.099 0.000 2.485 307 E HA 0.188 4.539 4.350 0.001 0.000 0.266 307 E C 1.384 177.936 176.600 -0.081 0.000 1.137 307 E CA 0.675 57.031 56.400 -0.074 0.000 1.010 307 E CB -0.692 28.985 29.700 -0.039 0.000 0.986 307 E HN 0.593 nan 8.360 nan 0.000 0.460 308 A N 0.008 122.788 122.820 -0.066 0.000 4.395 308 A HA -0.311 4.010 4.320 0.001 0.000 0.264 308 A C 1.293 178.830 177.584 -0.080 0.000 0.822 308 A CA 1.848 53.849 52.037 -0.060 0.000 1.118 308 A CB -1.666 17.306 19.000 -0.047 0.000 1.060 308 A HN 0.511 nan 8.150 nan 0.000 0.780 309 L N 0.313 121.464 121.223 -0.120 0.000 2.253 309 L HA 0.236 4.576 4.340 0.001 0.000 0.205 309 L C 1.274 178.054 176.870 -0.149 0.000 1.078 309 L CA 1.493 56.243 54.840 -0.151 0.000 0.805 309 L CB -0.204 41.706 42.059 -0.248 0.000 0.963 309 L HN 0.591 nan 8.230 nan 0.000 0.459 310 R N -0.426 119.979 120.500 -0.157 0.000 2.404 310 R HA 0.492 4.832 4.340 0.001 0.000 0.315 310 R C 0.333 176.585 176.300 -0.080 0.000 1.032 310 R CA 0.649 56.673 56.100 -0.126 0.000 0.992 310 R CB -0.049 30.181 30.300 -0.117 0.000 0.959 310 R HN 0.276 nan 8.270 nan 0.000 0.428 311 G N 2.505 111.266 108.800 -0.065 0.000 2.060 311 G HA2 -0.065 3.895 3.960 0.001 0.000 0.060 311 G HA3 -0.065 3.895 3.960 0.001 0.000 0.060 311 G C -0.637 174.242 174.900 -0.036 0.000 0.724 311 G CA -0.347 44.727 45.100 -0.045 0.000 1.129 311 G HN 0.550 nan 8.290 nan 0.000 0.374 312 L N 2.037 123.242 121.223 -0.029 0.000 2.424 312 L HA 0.382 4.723 4.340 0.001 0.000 0.274 312 L C 1.040 177.898 176.870 -0.021 0.000 1.284 312 L CA 0.981 55.809 54.840 -0.021 0.000 0.819 312 L CB -0.154 41.898 42.059 -0.011 0.000 1.081 312 L HN 0.819 nan 8.230 nan 0.000 0.577 313 D N -0.338 120.051 120.400 -0.020 0.000 2.445 313 D HA -0.190 4.450 4.640 0.001 0.000 0.225 313 D C 1.259 177.547 176.300 -0.021 0.000 1.302 313 D CA 1.440 55.418 54.000 -0.037 0.000 0.887 313 D CB 0.490 41.272 40.800 -0.029 0.000 1.251 313 D HN 0.552 nan 8.370 nan 0.000 0.545 314 R N 1.103 121.558 120.500 -0.076 0.000 2.119 314 R HA -0.005 4.335 4.340 0.001 0.000 0.222 314 R C 2.209 178.649 176.300 0.233 0.000 1.088 314 R CA 0.993 57.091 56.100 -0.004 0.000 0.984 314 R CB -0.388 29.841 30.300 -0.118 0.000 0.884 314 R HN 0.494 nan 8.270 nan 0.000 0.447 315 F N 0.962 120.929 119.950 0.028 0.000 2.317 315 F HA 0.105 4.632 4.527 0.001 0.000 0.293 315 F C 1.743 177.565 175.800 0.035 0.000 1.085 315 F CA -0.159 57.864 58.000 0.037 0.000 1.390 315 F CB 0.267 39.288 39.000 0.035 0.000 1.077 315 F HN 0.072 nan 8.300 nan 0.000 0.517 316 E N 0.950 121.275 120.200 0.210 0.000 2.512 316 E HA 0.034 4.385 4.350 0.001 0.000 0.195 316 E C 1.386 178.035 176.600 0.081 0.000 1.083 316 E CA 0.371 56.841 56.400 0.117 0.000 0.873 316 E CB 0.021 29.764 29.700 0.071 0.000 0.897 316 E HN 0.306 nan 8.360 nan 0.000 0.514 317 A N 0.407 123.290 122.820 0.104 0.000 1.973 317 A HA -0.003 4.317 4.320 0.001 0.000 0.210 317 A C 2.015 179.651 177.584 0.086 0.000 1.200 317 A CA 0.565 52.643 52.037 0.068 0.000 0.707 317 A CB -0.146 18.894 19.000 0.066 0.000 0.862 317 A HN 0.281 nan 8.150 nan 0.000 0.461 318 R N -0.696 119.887 120.500 0.138 0.000 2.153 318 R HA 0.038 4.378 4.340 0.001 0.000 0.218 318 R C 1.880 178.247 176.300 0.112 0.000 1.072 318 R CA 1.026 57.216 56.100 0.151 0.000 0.990 318 R CB -0.345 30.064 30.300 0.183 0.000 0.889 318 R HN 0.230 nan 8.270 nan 0.000 0.452 319 R N 1.582 122.137 120.500 0.091 0.000 2.103 319 R HA -0.048 4.292 4.340 0.001 0.000 0.234 319 R C 2.170 178.475 176.300 0.009 0.000 1.132 319 R CA 2.263 58.397 56.100 0.057 0.000 0.925 319 R CB -0.245 30.086 30.300 0.051 0.000 0.842 319 R HN 0.245 nan 8.270 nan 0.000 0.430 320 K N -0.452 119.943 120.400 -0.008 0.000 2.283 320 K HA 0.012 4.332 4.320 0.001 0.000 0.202 320 K C 1.965 178.491 176.600 -0.123 0.000 1.048 320 K CA 1.004 57.258 56.287 -0.054 0.000 0.948 320 K CB -0.013 32.459 32.500 -0.048 0.000 0.742 320 K HN 0.211 nan 8.250 nan 0.000 0.458 321 A N 1.042 123.794 122.820 -0.113 0.000 1.898 321 A HA -0.112 4.209 4.320 0.001 0.000 0.216 321 A C 2.346 179.635 177.584 -0.493 0.000 1.181 321 A CA 1.220 53.087 52.037 -0.284 0.000 0.620 321 A CB -0.574 18.405 19.000 -0.035 0.000 0.819 321 A HN 0.056 nan 8.150 nan 0.000 0.442 322 V N 0.206 120.048 119.914 -0.120 0.000 2.237 322 V HA -0.217 3.903 4.120 0.001 0.000 0.245 322 V C 2.657 178.712 176.094 -0.065 0.000 1.046 322 V CA 2.266 64.561 62.300 -0.008 0.000 1.007 322 V CB -0.682 31.108 31.823 -0.056 0.000 0.638 322 V HN 0.517 nan 8.190 nan 0.000 0.445 323 E N 0.092 120.238 120.200 -0.091 0.000 2.065 323 E HA -0.205 4.146 4.350 0.001 0.000 0.201 323 E C 2.025 178.570 176.600 -0.091 0.000 1.016 323 E CA 1.100 57.455 56.400 -0.075 0.000 0.818 323 E CB -0.600 29.062 29.700 -0.064 0.000 0.749 323 E HN 0.314 nan 8.360 nan 0.000 0.453 324 L N 0.205 121.324 121.223 -0.174 0.000 2.642 324 L HA -0.105 4.236 4.340 0.001 0.000 0.236 324 L C 1.548 178.349 176.870 -0.114 0.000 1.169 324 L CA 1.032 55.767 54.840 -0.175 0.000 0.851 324 L CB -0.768 41.153 42.059 -0.229 0.000 0.968 324 L HN 0.039 nan 8.230 nan 0.000 0.453 325 F N 0.004 119.928 119.950 -0.044 0.000 2.479 325 F HA 0.066 4.594 4.527 0.001 0.000 0.280 325 F C 2.557 178.253 175.800 -0.174 0.000 0.982 325 F CA 0.383 58.337 58.000 -0.077 0.000 1.276 325 F CB -0.783 38.226 39.000 0.015 0.000 1.137 325 F HN 0.031 nan 8.300 nan 0.000 0.660 326 R N 0.675 121.237 120.500 0.104 0.000 2.070 326 R HA -0.145 4.196 4.340 0.001 0.000 0.232 326 R C 1.714 177.992 176.300 -0.037 0.000 1.138 326 R CA 1.799 57.906 56.100 0.011 0.000 0.936 326 R CB -1.301 28.991 30.300 -0.013 0.000 0.839 326 R HN 0.173 nan 8.270 nan 0.000 0.429 327 E N 1.021 121.198 120.200 -0.038 0.000 2.533 327 E HA -0.093 4.257 4.350 0.001 0.000 0.203 327 E C 0.432 176.994 176.600 -0.063 0.000 1.101 327 E CA 0.922 57.296 56.400 -0.042 0.000 0.894 327 E CB 0.239 29.918 29.700 -0.036 0.000 0.843 327 E HN 0.599 nan 8.360 nan 0.000 0.552 328 A N -0.866 121.876 122.820 -0.131 0.000 2.498 328 A HA 0.417 4.738 4.320 0.001 0.000 0.238 328 A C 1.266 178.609 177.584 -0.402 0.000 1.225 328 A CA 0.571 52.474 52.037 -0.223 0.000 0.978 328 A CB 0.478 19.330 19.000 -0.247 0.000 1.142 328 A HN 0.262 nan 8.150 nan 0.000 0.552 329 G N 0.045 108.683 108.800 -0.270 0.000 2.204 329 G HA2 -0.212 3.748 3.960 0.001 0.000 0.244 329 G HA3 -0.212 3.748 3.960 0.001 0.000 0.244 329 G C 0.210 175.187 174.900 0.128 0.000 1.062 329 G CA 0.478 45.528 45.100 -0.083 0.000 0.798 329 G HN 0.631 nan 8.290 nan 0.000 0.496 330 H N -1.954 117.222 119.070 0.178 0.000 3.241 330 H HA 0.288 4.844 4.556 0.001 0.000 0.260 330 H C 1.091 176.451 175.328 0.053 0.000 1.084 330 H CA 0.012 56.163 56.048 0.171 0.000 1.203 330 H CB 0.354 30.262 29.762 0.245 0.000 1.524 330 H HN 0.487 nan 8.280 nan 0.000 0.521 331 L N 2.051 123.349 121.223 0.126 0.000 2.350 331 L HA 0.297 4.637 4.340 0.001 0.000 0.275 331 L C 1.029 177.924 176.870 0.042 0.000 1.099 331 L CA 0.032 54.904 54.840 0.053 0.000 0.808 331 L CB 1.264 43.343 42.059 0.032 0.000 1.149 331 L HN 0.024 nan 8.230 nan 0.000 0.442 332 V N 2.611 122.536 119.914 0.019 0.000 3.442 332 V HA 0.428 4.548 4.120 0.001 0.000 0.205 332 V C 0.179 176.274 176.094 0.002 0.000 1.320 332 V CA 0.018 62.331 62.300 0.022 0.000 1.306 332 V CB -0.116 31.726 31.823 0.031 0.000 1.267 332 V HN 0.800 nan 8.190 nan 0.000 0.538 333 K N 2.239 122.637 120.400 -0.004 0.000 2.473 333 K HA 0.393 4.713 4.320 0.001 0.000 0.246 333 K C -0.300 176.321 176.600 0.035 0.000 1.011 333 K CA -0.356 55.929 56.287 -0.003 0.000 0.984 333 K CB 0.905 33.389 32.500 -0.028 0.000 1.250 333 K HN 0.709 nan 8.250 nan 0.000 0.454 334 E N 4.252 124.473 120.200 0.035 0.000 2.313 334 E HA 0.153 4.503 4.350 0.001 0.000 0.272 334 E C -1.118 175.555 176.600 0.123 0.000 1.038 334 E CA -0.369 56.104 56.400 0.121 0.000 0.863 334 E CB 0.915 30.594 29.700 -0.034 0.000 1.060 334 E HN 0.713 nan 8.360 nan 0.000 0.402 335 E N 3.084 123.395 120.200 0.185 0.000 2.396 335 E HA 0.175 4.525 4.350 0.001 0.000 0.280 335 E C -1.301 175.371 176.600 0.119 0.000 1.065 335 E CA -0.943 55.520 56.400 0.104 0.000 0.831 335 E CB 0.595 30.318 29.700 0.038 0.000 1.272 335 E HN 0.399 nan 8.360 nan 0.000 0.443 336 D N 0.383 120.844 120.400 0.101 0.000 2.362 336 D HA 0.255 4.896 4.640 0.001 0.000 0.238 336 D C -0.838 175.581 176.300 0.197 0.000 1.212 336 D CA 0.937 55.006 54.000 0.115 0.000 0.902 336 D CB 0.518 41.365 40.800 0.078 0.000 1.180 336 D HN 0.352 nan 8.370 nan 0.000 0.445 337 Y N -0.744 119.553 120.300 -0.005 0.000 2.521 337 Y HA 0.098 4.649 4.550 0.001 0.000 0.326 337 Y C -1.105 174.795 175.900 -0.001 0.000 1.176 337 Y CA -0.713 57.388 58.100 0.002 0.000 1.079 337 Y CB 1.257 39.721 38.460 0.005 0.000 1.341 337 Y HN 0.107 nan 8.280 nan 0.000 0.456 338 T N 7.246 121.471 114.554 -0.547 0.000 2.891 338 T HA 0.454 4.805 4.350 0.001 0.000 0.315 338 T C 0.117 174.386 174.700 -0.718 0.000 1.054 338 T CA -0.377 61.449 62.100 -0.457 0.000 0.958 338 T CB -0.968 67.739 68.868 -0.268 0.000 1.008 338 T HN 0.485 nan 8.240 nan 0.000 0.521 339 I N -0.125 120.155 120.570 -0.484 0.000 2.472 339 I HA 0.664 4.834 4.170 0.001 0.000 0.290 339 I C 0.674 176.690 176.117 -0.167 0.000 1.016 339 I CA -1.144 59.963 61.300 -0.321 0.000 1.348 339 I CB 0.956 38.893 38.000 -0.106 0.000 1.417 339 I HN 0.424 nan 8.210 nan 0.000 0.521 340 A N 6.996 129.749 122.820 -0.110 0.000 3.077 340 A HA 0.294 4.615 4.320 0.001 0.000 0.255 340 A C 0.166 177.747 177.584 -0.006 0.000 1.728 340 A CA -0.410 51.596 52.037 -0.052 0.000 1.383 340 A CB -0.958 18.021 19.000 -0.033 0.000 1.097 340 A HN 0.733 nan 8.150 nan 0.000 0.634 341 L N 1.576 122.795 121.223 -0.007 0.000 2.578 341 L HA 0.301 4.642 4.340 0.001 0.000 0.279 341 L C 0.563 177.464 176.870 0.051 0.000 1.227 341 L CA 0.574 55.433 54.840 0.032 0.000 0.900 341 L CB 0.364 42.436 42.059 0.021 0.000 1.144 341 L HN 0.528 nan 8.230 nan 0.000 0.496 342 A N 4.049 126.922 122.820 0.088 0.000 2.290 342 A HA 0.710 5.031 4.320 0.001 0.000 0.310 342 A C 0.047 177.667 177.584 0.061 0.000 1.202 342 A CA 0.163 52.249 52.037 0.082 0.000 0.837 342 A CB 0.358 19.435 19.000 0.128 0.000 1.139 342 A HN 0.862 nan 8.150 nan 0.000 0.509 343 T N -1.564 113.010 114.554 0.032 0.000 2.901 343 T HA 0.430 4.780 4.350 0.001 0.000 0.293 343 T C -0.301 174.393 174.700 -0.009 0.000 1.084 343 T CA -0.691 61.419 62.100 0.016 0.000 1.008 343 T CB 0.976 69.855 68.868 0.019 0.000 1.170 343 T HN 0.918 nan 8.240 nan 0.000 0.509 344 C N 3.279 122.562 119.300 -0.028 0.000 2.540 344 C HA 0.429 4.890 4.460 0.001 0.000 0.377 344 C C 2.391 177.365 174.990 -0.028 0.000 1.274 344 C CA 0.419 59.409 59.018 -0.046 0.000 1.718 344 C CB -1.474 26.218 27.740 -0.081 0.000 2.391 344 C HN 1.110 nan 8.230 nan 0.000 0.565 345 S N 4.449 120.139 115.700 -0.016 0.000 2.407 345 S HA -0.246 4.224 4.470 0.001 0.000 0.235 345 S C 1.797 176.395 174.600 -0.004 0.000 1.036 345 S CA 1.638 59.836 58.200 -0.003 0.000 1.013 345 S CB -0.273 62.931 63.200 0.006 0.000 0.820 345 S HN 0.899 nan 8.310 nan 0.000 0.476 346 R N -0.392 120.101 120.500 -0.012 0.000 2.393 346 R HA 0.305 4.646 4.340 0.001 0.000 0.244 346 R C 1.496 177.773 176.300 -0.038 0.000 0.920 346 R CA 0.661 56.752 56.100 -0.015 0.000 1.076 346 R CB 0.189 30.487 30.300 -0.004 0.000 1.119 346 R HN 0.710 nan 8.270 nan 0.000 0.524 347 C N -4.499 114.773 119.300 -0.046 0.000 4.403 347 C HA 0.547 5.008 4.460 0.001 0.000 0.408 347 C C 1.361 176.325 174.990 -0.044 0.000 1.714 347 C CA 0.298 59.282 59.018 -0.057 0.000 2.002 347 C CB 0.626 28.314 27.740 -0.086 0.000 3.129 347 C HN 0.506 nan 8.230 nan 0.000 0.662 348 G N 1.565 110.346 108.800 -0.032 0.000 4.365 348 G HA2 -0.239 3.721 3.960 0.001 0.000 0.214 348 G HA3 -0.239 3.721 3.960 0.001 0.000 0.214 348 G C 0.279 175.173 174.900 -0.011 0.000 1.450 348 G CA 0.439 45.529 45.100 -0.017 0.000 0.937 348 G HN 1.055 nan 8.290 nan 0.000 0.625 349 T N 5.859 120.402 114.554 -0.019 0.000 2.828 349 T HA 0.340 4.690 4.350 0.001 0.000 0.282 349 T C -1.770 172.933 174.700 0.004 0.000 1.031 349 T CA 1.032 63.126 62.100 -0.009 0.000 1.136 349 T CB 0.749 69.590 68.868 -0.046 0.000 1.057 349 T HN 0.586 nan 8.240 nan 0.000 0.499 350 P HA 0.184 nan 4.420 nan 0.000 0.276 350 P C 0.966 178.294 177.300 0.048 0.000 1.230 350 P CA -0.550 62.595 63.100 0.075 0.000 0.776 350 P CB 0.481 32.279 31.700 0.164 0.000 0.888 351 I N -0.011 120.571 120.570 0.020 0.000 1.914 351 I HA 0.146 4.316 4.170 0.001 0.000 0.144 351 I C 0.634 176.778 176.117 0.045 0.000 1.450 351 I CA 0.222 61.505 61.300 -0.028 0.000 0.701 351 I CB -0.270 37.652 38.000 -0.129 0.000 1.823 351 I HN 0.429 nan 8.210 nan 0.000 1.087 352 E N -2.622 117.565 120.200 -0.022 0.000 2.271 352 E HA 0.330 4.681 4.350 0.001 0.000 0.262 352 E C -2.111 174.442 176.600 -0.079 0.000 1.352 352 E CA -0.687 55.802 56.400 0.149 0.000 0.906 352 E CB 0.839 30.681 29.700 0.237 0.000 1.492 352 E HN 0.523 nan 8.360 nan 0.000 0.429 353 Y N -0.837 119.566 120.300 0.172 0.000 2.609 353 Y HA 0.886 5.436 4.550 0.001 0.000 0.342 353 Y C -0.185 175.745 175.900 0.051 0.000 1.058 353 Y CA 0.146 58.320 58.100 0.123 0.000 1.055 353 Y CB 2.482 41.000 38.460 0.098 0.000 1.292 353 Y HN 0.718 nan 8.280 nan 0.000 0.476 354 A N 0.923 123.817 122.820 0.123 0.000 2.581 354 A HA 0.632 4.952 4.320 0.001 0.000 0.294 354 A C -2.254 175.307 177.584 -0.038 0.000 1.035 354 A CA -0.717 51.282 52.037 -0.063 0.000 0.684 354 A CB 0.785 19.615 19.000 -0.283 0.000 1.282 354 A HN 0.463 nan 8.150 nan 0.000 0.417 355 I N 1.381 121.914 120.570 -0.062 0.000 2.365 355 I HA 0.556 4.726 4.170 0.001 0.000 0.291 355 I C -0.229 175.955 176.117 0.113 0.000 1.004 355 I CA 0.011 61.330 61.300 0.032 0.000 1.311 355 I CB 0.346 38.374 38.000 0.047 0.000 1.401 355 I HN 0.658 nan 8.210 nan 0.000 0.491 356 F N 6.360 126.317 119.950 0.012 0.000 2.654 356 F HA 0.363 4.890 4.527 0.001 0.000 0.308 356 F C -2.568 173.254 175.800 0.037 0.000 1.108 356 F CA -2.139 55.865 58.000 0.007 0.000 0.957 356 F CB 3.513 42.529 39.000 0.026 0.000 1.309 356 F HN 0.198 nan 8.300 nan 0.000 0.446 357 P HA 0.230 nan 4.420 nan 0.000 0.281 357 P C -1.367 175.810 177.300 -0.206 0.000 1.286 357 P CA -0.080 62.946 63.100 -0.122 0.000 0.772 357 P CB 1.026 32.593 31.700 -0.222 0.000 0.862 358 Q N 1.761 121.559 119.800 -0.003 0.000 2.683 358 Q HA 0.391 4.731 4.340 0.001 0.000 0.302 358 Q C -1.144 174.776 176.000 -0.134 0.000 1.042 358 Q CA -0.516 55.262 55.803 -0.042 0.000 0.773 358 Q CB 1.384 30.224 28.738 0.170 0.000 1.508 358 Q HN 0.407 nan 8.270 nan 0.000 0.459 359 W N 0.671 121.871 121.300 -0.166 0.000 2.335 359 W HA 0.423 5.083 4.660 0.001 0.000 0.307 359 W C -0.700 175.456 176.519 -0.605 0.000 1.117 359 W CA -0.327 56.884 57.345 -0.223 0.000 1.228 359 W CB 0.706 29.969 29.460 -0.328 0.000 1.240 359 W HN 0.404 nan 8.180 nan 0.000 0.468 360 W N 3.393 124.517 121.300 -0.293 0.000 2.894 360 W HA 0.702 5.362 4.660 0.001 0.000 0.345 360 W C -0.894 175.224 176.519 -0.669 0.000 1.152 360 W CA -1.086 55.924 57.345 -0.558 0.000 1.089 360 W CB 0.850 29.846 29.460 -0.774 0.000 1.454 360 W HN -0.198 nan 8.180 nan 0.000 0.589 361 L N 2.598 123.642 121.223 -0.299 0.000 2.491 361 L HA 0.390 4.730 4.340 0.001 0.000 0.267 361 L C -0.035 176.808 176.870 -0.045 0.000 0.971 361 L CA -0.863 53.822 54.840 -0.259 0.000 0.857 361 L CB 1.352 43.195 42.059 -0.361 0.000 1.226 361 L HN 0.512 nan 8.230 nan 0.000 0.408 362 R N 4.552 125.066 120.500 0.022 0.000 2.998 362 R HA -0.031 4.309 4.340 0.001 0.000 0.274 362 R C 1.124 177.459 176.300 0.058 0.000 1.393 362 R CA -0.131 56.046 56.100 0.129 0.000 0.983 362 R CB 0.323 30.713 30.300 0.149 0.000 1.111 362 R HN 0.611 nan 8.270 nan 0.000 0.514 363 M N 1.395 121.053 119.600 0.097 0.000 2.132 363 M HA -0.141 4.339 4.480 0.001 0.000 0.263 363 M C 1.918 178.241 176.300 0.039 0.000 1.065 363 M CA 1.553 56.906 55.300 0.089 0.000 1.122 363 M CB -0.581 32.093 32.600 0.123 0.000 1.365 363 M HN 0.389 nan 8.290 nan 0.000 0.411 364 R N 0.429 120.948 120.500 0.032 0.000 2.162 364 R HA -0.195 4.145 4.340 0.001 0.000 0.245 364 R C -0.239 176.065 176.300 0.006 0.000 1.129 364 R CA 1.907 58.010 56.100 0.005 0.000 0.940 364 R CB -2.800 27.508 30.300 0.013 0.000 0.875 364 R HN 0.380 nan 8.270 nan 0.000 0.437 365 P HA -0.115 nan 4.420 nan 0.000 0.215 365 P C 1.918 179.219 177.300 0.002 0.000 1.157 365 P CA 1.251 64.358 63.100 0.011 0.000 0.859 365 P CB -0.187 31.524 31.700 0.018 0.000 0.786 366 L N -0.018 121.195 121.223 -0.016 0.000 1.971 366 L HA -0.210 4.130 4.340 0.001 0.000 0.215 366 L C 2.899 179.784 176.870 0.024 0.000 1.072 366 L CA 1.968 56.795 54.840 -0.022 0.000 0.758 366 L CB -1.480 40.561 42.059 -0.029 0.000 0.889 366 L HN -0.049 nan 8.230 nan 0.000 0.433 367 A N -0.751 122.093 122.820 0.039 0.000 1.997 367 A HA -0.277 4.043 4.320 0.001 0.000 0.221 367 A C 2.262 179.850 177.584 0.007 0.000 1.172 367 A CA 2.015 54.079 52.037 0.044 0.000 0.645 367 A CB -0.478 18.532 19.000 0.016 0.000 0.813 367 A HN 0.410 nan 8.150 nan 0.000 0.454 368 E N -0.390 119.808 120.200 -0.004 0.000 2.107 368 E HA -0.123 4.227 4.350 0.001 0.000 0.191 368 E C 1.929 178.509 176.600 -0.034 0.000 0.982 368 E CA 0.977 57.368 56.400 -0.016 0.000 0.809 368 E CB -0.270 29.428 29.700 -0.004 0.000 0.756 368 E HN 0.780 nan 8.360 nan 0.000 0.459 369 E N -0.197 119.995 120.200 -0.014 0.000 2.085 369 E HA -0.159 4.191 4.350 0.001 0.000 0.194 369 E C 2.061 178.554 176.600 -0.178 0.000 0.994 369 E CA 1.462 57.857 56.400 -0.007 0.000 0.801 369 E CB 0.229 29.981 29.700 0.087 0.000 0.743 369 E HN 0.051 nan 8.360 nan 0.000 0.453 370 V N 1.140 120.928 119.914 -0.211 0.000 2.270 370 V HA -0.256 3.865 4.120 0.001 0.000 0.245 370 V C 2.377 178.224 176.094 -0.411 0.000 1.043 370 V CA 1.445 63.454 62.300 -0.485 0.000 1.014 370 V CB -0.541 31.209 31.823 -0.122 0.000 0.645 370 V HN 0.329 nan 8.190 nan 0.000 0.447 371 L N 0.170 121.298 121.223 -0.158 0.000 2.189 371 L HA -0.257 4.084 4.340 0.001 0.000 0.214 371 L C 2.572 179.383 176.870 -0.098 0.000 1.097 371 L CA 1.700 56.490 54.840 -0.083 0.000 0.764 371 L CB -0.767 41.273 42.059 -0.033 0.000 0.900 371 L HN 0.349 nan 8.230 nan 0.000 0.436 372 K N 0.882 121.200 120.400 -0.137 0.000 2.009 372 K HA -0.137 4.183 4.320 0.001 0.000 0.210 372 K C 1.950 178.508 176.600 -0.070 0.000 1.049 372 K CA 1.814 58.053 56.287 -0.080 0.000 0.929 372 K CB -0.804 31.661 32.500 -0.058 0.000 0.714 372 K HN 0.213 nan 8.250 nan 0.000 0.440 373 G N 0.882 109.558 108.800 -0.206 0.000 2.464 373 G HA2 -0.199 3.761 3.960 0.001 0.000 0.214 373 G HA3 -0.199 3.761 3.960 0.001 0.000 0.214 373 G C 1.562 176.508 174.900 0.076 0.000 1.218 373 G CA 1.047 46.144 45.100 -0.005 0.000 0.794 373 G HN 0.299 nan 8.290 nan 0.000 0.542 374 L N 0.039 121.287 121.223 0.042 0.000 2.054 374 L HA -0.256 4.084 4.340 0.001 0.000 0.220 374 L C 2.955 179.886 176.870 0.101 0.000 1.081 374 L CA 1.966 56.887 54.840 0.135 0.000 0.780 374 L CB -0.501 41.629 42.059 0.118 0.000 0.893 374 L HN 0.212 nan 8.230 nan 0.000 0.438 375 R N 0.258 120.788 120.500 0.050 0.000 2.083 375 R HA -0.228 4.113 4.340 0.001 0.000 0.237 375 R C 2.507 178.842 176.300 0.059 0.000 1.137 375 R CA 1.922 58.047 56.100 0.043 0.000 0.951 375 R CB -0.208 30.105 30.300 0.022 0.000 0.851 375 R HN 0.244 nan 8.270 nan 0.000 0.434 376 R N -0.922 119.620 120.500 0.070 0.000 2.148 376 R HA -0.082 4.258 4.340 0.001 0.000 0.227 376 R C 0.707 177.063 176.300 0.093 0.000 1.103 376 R CA 1.531 57.678 56.100 0.079 0.000 0.983 376 R CB 0.111 30.466 30.300 0.092 0.000 0.874 376 R HN 0.492 nan 8.270 nan 0.000 0.451 377 G N -0.235 108.634 108.800 0.116 0.000 2.154 377 G HA2 -0.188 3.773 3.960 0.001 0.000 0.186 377 G HA3 -0.188 3.773 3.960 0.001 0.000 0.186 377 G C -0.000 174.986 174.900 0.144 0.000 1.000 377 G CA 0.222 45.397 45.100 0.125 0.000 0.664 377 G HN 0.397 nan 8.290 nan 0.000 0.513 378 D N 0.252 120.757 120.400 0.175 0.000 2.116 378 D HA -0.015 4.625 4.640 0.001 0.000 0.193 378 D C 1.543 177.945 176.300 0.169 0.000 0.998 378 D CA 1.330 55.444 54.000 0.190 0.000 0.836 378 D CB 0.146 41.132 40.800 0.310 0.000 0.951 378 D HN 0.628 nan 8.370 nan 0.000 0.449 379 I N -0.036 120.667 120.570 0.222 0.000 2.525 379 I HA 0.486 4.657 4.170 0.001 0.000 0.301 379 I C -0.319 175.891 176.117 0.153 0.000 0.992 379 I CA -1.134 60.258 61.300 0.154 0.000 1.162 379 I CB 1.969 40.073 38.000 0.173 0.000 1.332 379 I HN -0.130 nan 8.210 nan 0.000 0.458 380 A N 5.311 128.118 122.820 -0.022 0.000 2.330 380 A HA 0.809 5.129 4.320 0.001 0.000 0.327 380 A C -1.243 176.233 177.584 -0.180 0.000 1.155 380 A CA -0.289 51.770 52.037 0.037 0.000 0.803 380 A CB 0.599 19.609 19.000 0.016 0.000 1.208 380 A HN 0.481 nan 8.150 nan 0.000 0.477 381 F N 1.765 121.745 119.950 0.050 0.000 2.482 381 F HA 0.406 4.933 4.527 0.001 0.000 0.331 381 F C 1.462 177.298 175.800 0.060 0.000 1.115 381 F CA -0.485 57.548 58.000 0.055 0.000 0.955 381 F CB 1.783 40.854 39.000 0.118 0.000 1.136 381 F HN 0.478 nan 8.300 nan 0.000 0.452 382 V N 1.098 121.099 119.914 0.146 0.000 2.222 382 V HA -0.133 3.987 4.120 0.001 0.000 0.240 382 V C -0.867 175.330 176.094 0.172 0.000 1.040 382 V CA 1.167 63.530 62.300 0.105 0.000 0.988 382 V CB -2.078 29.764 31.823 0.032 0.000 0.633 382 V HN 0.589 nan 8.190 nan 0.000 0.452 383 P HA -0.169 nan 4.420 nan 0.000 0.217 383 P C 1.219 178.620 177.300 0.168 0.000 1.148 383 P CA 2.468 65.706 63.100 0.230 0.000 0.834 383 P CB -0.127 31.806 31.700 0.389 0.000 0.783 384 E N -2.794 117.563 120.200 0.261 0.000 4.201 384 E HA -0.291 4.060 4.350 0.001 0.000 0.387 384 E C 1.230 177.864 176.600 0.056 0.000 0.566 384 E CA 0.895 57.406 56.400 0.185 0.000 1.404 384 E CB -1.387 28.376 29.700 0.104 0.000 1.860 384 E HN 0.331 nan 8.360 nan 0.000 0.379 385 R N 0.104 120.577 120.500 -0.045 0.000 2.313 385 R HA 0.020 4.360 4.340 0.001 0.000 0.199 385 R C 1.025 177.112 176.300 -0.355 0.000 0.958 385 R CA 0.979 56.931 56.100 -0.247 0.000 1.047 385 R CB -0.300 29.776 30.300 -0.373 0.000 0.955 385 R HN 0.261 nan 8.270 nan 0.000 0.481 386 W N 1.467 122.716 121.300 -0.085 0.000 2.996 386 W HA 0.300 4.961 4.660 0.001 0.000 0.270 386 W C 2.022 178.259 176.519 -0.469 0.000 1.280 386 W CA -0.441 56.810 57.345 -0.156 0.000 1.549 386 W CB 0.386 29.845 29.460 -0.002 0.000 1.079 386 W HN 0.012 nan 8.180 nan 0.000 0.629 387 K N 1.269 121.371 120.400 -0.497 0.000 2.001 387 K HA -0.271 4.049 4.320 0.001 0.000 0.214 387 K C 1.873 178.235 176.600 -0.397 0.000 1.050 387 K CA 1.800 57.534 56.287 -0.922 0.000 0.934 387 K CB 0.032 32.264 32.500 -0.447 0.000 0.718 387 K HN -0.182 nan 8.250 nan 0.000 0.443 388 K N 0.490 120.770 120.400 -0.200 0.000 2.009 388 K HA -0.114 4.206 4.320 0.001 0.000 0.210 388 K C 1.959 178.548 176.600 -0.019 0.000 1.049 388 K CA 1.418 57.649 56.287 -0.093 0.000 0.929 388 K CB -0.751 31.699 32.500 -0.083 0.000 0.714 388 K HN 0.055 nan 8.250 nan 0.000 0.440 389 V N 1.524 121.440 119.914 0.004 0.000 2.546 389 V HA -0.306 3.815 4.120 0.001 0.000 0.254 389 V C 2.070 178.374 176.094 0.350 0.000 1.076 389 V CA 2.030 64.433 62.300 0.172 0.000 1.087 389 V CB -0.686 31.260 31.823 0.204 0.000 0.674 389 V HN 0.440 nan 8.190 nan 0.000 0.470 390 N N -0.413 118.407 118.700 0.200 0.000 2.124 390 N HA -0.096 4.645 4.740 0.001 0.000 0.189 390 N C 2.022 177.680 175.510 0.247 0.000 1.050 390 N CA 1.145 54.356 53.050 0.268 0.000 0.848 390 N CB -0.081 38.435 38.487 0.049 0.000 1.027 390 N HN 0.289 nan 8.380 nan 0.000 0.435 391 M N 1.009 120.662 119.600 0.089 0.000 2.103 391 M HA -0.219 4.261 4.480 0.001 0.000 0.255 391 M C 1.170 177.522 176.300 0.087 0.000 1.074 391 M CA 1.599 56.944 55.300 0.076 0.000 1.090 391 M CB -0.538 32.067 32.600 0.008 0.000 1.325 391 M HN 0.203 nan 8.290 nan 0.000 0.403 392 D N -0.861 119.591 120.400 0.087 0.000 2.178 392 D HA -0.164 4.476 4.640 0.001 0.000 0.202 392 D C 1.475 177.804 176.300 0.047 0.000 0.974 392 D CA 0.974 55.006 54.000 0.052 0.000 0.841 392 D CB -0.379 40.451 40.800 0.049 0.000 0.953 392 D HN 0.541 nan 8.370 nan 0.000 0.478 393 W N 1.543 122.791 121.300 -0.086 0.000 2.358 393 W HA -0.100 4.560 4.660 0.001 0.000 0.303 393 W C 1.969 178.374 176.519 -0.189 0.000 1.208 393 W CA 1.093 58.264 57.345 -0.290 0.000 1.274 393 W CB -0.273 28.845 29.460 -0.571 0.000 1.138 393 W HN -0.098 nan 8.180 nan 0.000 0.515 394 L N 0.243 121.558 121.223 0.155 0.000 2.056 394 L HA -0.190 4.150 4.340 0.001 0.000 0.207 394 L C 2.530 179.325 176.870 -0.126 0.000 1.078 394 L CA 1.234 56.086 54.840 0.019 0.000 0.749 394 L CB -1.163 40.993 42.059 0.161 0.000 0.901 394 L HN -0.112 nan 8.230 nan 0.000 0.433 395 E N 1.404 121.560 120.200 -0.073 0.000 2.279 395 E HA -0.198 4.152 4.350 0.001 0.000 0.205 395 E C 0.126 176.647 176.600 -0.131 0.000 1.028 395 E CA 1.137 57.487 56.400 -0.082 0.000 0.830 395 E CB -0.407 29.259 29.700 -0.057 0.000 0.736 395 E HN 0.681 nan 8.360 nan 0.000 0.478 396 N N -0.807 117.758 118.700 -0.225 0.000 2.751 396 N HA 0.141 4.881 4.740 0.001 0.000 0.238 396 N C -0.617 174.664 175.510 -0.382 0.000 1.351 396 N CA -0.120 52.787 53.050 -0.239 0.000 0.751 396 N CB 0.560 38.936 38.487 -0.185 0.000 1.342 396 N HN -0.255 nan 8.380 nan 0.000 0.540 397 V N 0.267 119.956 119.914 -0.376 0.000 3.093 397 V HA 0.563 4.684 4.120 0.001 0.000 0.320 397 V C 0.262 176.226 176.094 -0.217 0.000 1.093 397 V CA -0.714 61.303 62.300 -0.471 0.000 1.016 397 V CB 2.021 33.542 31.823 -0.503 0.000 1.096 397 V HN 0.316 nan 8.190 nan 0.000 0.452 398 K N 0.569 120.884 120.400 -0.141 0.000 2.378 398 K HA 0.381 4.702 4.320 0.001 0.000 0.252 398 K C -1.446 175.250 176.600 0.160 0.000 0.931 398 K CA -0.932 55.367 56.287 0.021 0.000 0.794 398 K CB 1.750 34.277 32.500 0.045 0.000 1.181 398 K HN 0.696 nan 8.250 nan 0.000 0.425 399 D N 1.867 122.405 120.400 0.230 0.000 2.752 399 D HA -0.174 4.466 4.640 0.001 0.000 0.225 399 D C -0.415 176.198 176.300 0.522 0.000 1.104 399 D CA 0.833 55.049 54.000 0.359 0.000 0.832 399 D CB 0.235 41.291 40.800 0.426 0.000 1.161 399 D HN 0.263 nan 8.370 nan 0.000 0.505 400 W N 4.068 125.460 121.300 0.154 0.000 2.335 400 W HA 0.218 4.879 4.660 0.001 0.000 0.307 400 W C -0.105 176.210 176.519 -0.339 0.000 1.117 400 W CA -1.481 55.865 57.345 0.003 0.000 1.228 400 W CB 0.010 29.498 29.460 0.047 0.000 1.240 400 W HN 0.334 nan 8.180 nan 0.000 0.468 401 N N 5.453 123.861 118.700 -0.487 0.000 2.416 401 N HA -0.057 4.684 4.740 0.001 0.000 0.271 401 N C 0.643 175.781 175.510 -0.619 0.000 1.245 401 N CA -0.102 52.256 53.050 -1.154 0.000 0.940 401 N CB 0.487 38.322 38.487 -1.086 0.000 1.175 401 N HN 0.566 nan 8.380 nan 0.000 0.483 402 I N 2.222 122.281 120.570 -0.851 0.000 2.584 402 I HA -0.113 4.058 4.170 0.001 0.000 0.255 402 I C 0.868 176.686 176.117 -0.497 0.000 1.145 402 I CA 0.590 61.388 61.300 -0.837 0.000 1.462 402 I CB -0.242 37.120 38.000 -1.064 0.000 1.102 402 I HN 0.493 nan 8.210 nan 0.000 0.433 403 S N 0.755 116.202 115.700 -0.422 0.000 2.600 403 S HA 0.587 5.057 4.470 0.001 0.000 0.265 403 S C 0.056 174.563 174.600 -0.154 0.000 1.325 403 S CA -0.617 57.404 58.200 -0.299 0.000 1.002 403 S CB 1.527 64.657 63.200 -0.116 0.000 0.921 403 S HN 0.226 nan 8.310 nan 0.000 0.554 404 R N -0.405 120.041 120.500 -0.091 0.000 2.629 404 R HA 0.332 4.673 4.340 0.001 0.000 0.266 404 R C -1.252 175.084 176.300 0.059 0.000 1.051 404 R CA -0.375 55.732 56.100 0.011 0.000 0.895 404 R CB 1.210 31.532 30.300 0.036 0.000 1.246 404 R HN 0.550 nan 8.270 nan 0.000 0.459 405 Q N 1.923 121.789 119.800 0.111 0.000 2.217 405 Q HA 0.337 4.677 4.340 0.001 0.000 0.226 405 Q C -0.334 175.767 176.000 0.168 0.000 0.875 405 Q CA 0.012 55.916 55.803 0.168 0.000 0.974 405 Q CB 0.246 29.142 28.738 0.265 0.000 1.079 405 Q HN 0.405 nan 8.270 nan 0.000 0.463 406 L N -0.917 120.398 121.223 0.153 0.000 2.466 406 L HA 0.131 4.471 4.340 0.001 0.000 0.257 406 L C 0.449 177.585 176.870 0.444 0.000 1.189 406 L CA -0.240 54.712 54.840 0.188 0.000 0.813 406 L CB 0.489 42.656 42.059 0.180 0.000 1.118 406 L HN 0.333 nan 8.230 nan 0.000 0.471 407 W N -0.525 120.896 121.300 0.201 0.000 3.220 407 W HA 0.088 4.748 4.660 0.001 0.000 0.328 407 W C 1.274 178.063 176.519 0.450 0.000 1.205 407 W CA -0.928 56.583 57.345 0.277 0.000 1.773 407 W CB -0.327 29.296 29.460 0.272 0.000 1.086 407 W HN 0.588 nan 8.180 nan 0.000 0.622 408 W N 0.655 122.171 121.300 0.361 0.000 2.707 408 W HA 0.219 4.879 4.660 0.001 0.000 0.308 408 W C 1.827 178.505 176.519 0.264 0.000 1.063 408 W CA 0.990 58.494 57.345 0.266 0.000 1.509 408 W CB -0.644 28.922 29.460 0.177 0.000 1.245 408 W HN -0.199 nan 8.180 nan 0.000 0.479 409 G N 0.318 109.268 108.800 0.249 0.000 2.524 409 G HA2 -0.280 3.680 3.960 0.001 0.000 1.005 409 G HA3 -0.280 3.680 3.960 0.001 0.000 1.005 409 G C -0.735 174.257 174.900 0.153 0.000 1.148 409 G CA -0.146 45.011 45.100 0.095 0.000 1.591 409 G HN 0.600 nan 8.290 nan 0.000 0.895 410 H N -0.097 119.041 119.070 0.114 0.000 2.800 410 H HA 0.217 4.774 4.556 0.001 0.000 0.291 410 H C 0.674 176.136 175.328 0.224 0.000 1.076 410 H CA -0.368 55.763 56.048 0.138 0.000 1.452 410 H CB 0.662 30.512 29.762 0.147 0.000 1.461 410 H HN 0.515 nan 8.280 nan 0.000 0.488 411 Q N 5.151 125.088 119.800 0.229 0.000 2.257 411 Q HA 0.001 4.341 4.340 0.001 0.000 0.273 411 Q C 0.178 176.219 176.000 0.069 0.000 1.153 411 Q CA -0.364 55.492 55.803 0.089 0.000 0.922 411 Q CB 0.146 28.899 28.738 0.025 0.000 1.242 411 Q HN 0.615 nan 8.270 nan 0.000 0.409 412 I N 6.026 126.533 120.570 -0.104 0.000 3.017 412 I HA -0.039 4.131 4.170 0.001 0.000 0.310 412 I C -2.011 174.013 176.117 -0.154 0.000 1.220 412 I CA -0.904 60.265 61.300 -0.218 0.000 1.450 412 I CB 0.722 38.017 38.000 -1.175 0.000 1.317 412 I HN 0.592 nan 8.210 nan 0.000 0.570 413 P HA 0.321 nan 4.420 nan 0.000 0.219 413 P C -1.334 176.016 177.300 0.083 0.000 1.847 413 P CA -0.188 62.973 63.100 0.101 0.000 1.059 413 P CB 0.245 32.154 31.700 0.348 0.000 1.900 414 A N 2.194 124.841 122.820 -0.288 0.000 2.455 414 A HA 0.696 5.016 4.320 0.001 0.000 0.300 414 A C -1.784 175.414 177.584 -0.642 0.000 1.040 414 A CA -0.555 51.349 52.037 -0.222 0.000 0.697 414 A CB 1.181 20.124 19.000 -0.096 0.000 1.265 414 A HN 0.224 nan 8.150 nan 0.000 0.407 415 W N 0.971 122.076 121.300 -0.324 0.000 2.587 415 W HA 0.632 5.292 4.660 0.001 0.000 0.324 415 W C -0.933 175.430 176.519 -0.261 0.000 1.040 415 W CA -0.338 56.824 57.345 -0.304 0.000 1.222 415 W CB 1.014 30.411 29.460 -0.104 0.000 1.381 415 W HN 0.581 nan 8.180 nan 0.000 0.483 416 Y N 2.259 122.718 120.300 0.266 0.000 2.331 416 Y HA 0.361 4.911 4.550 0.001 0.000 0.338 416 Y C 0.555 176.557 175.900 0.169 0.000 0.976 416 Y CA -1.217 56.999 58.100 0.193 0.000 1.137 416 Y CB 1.217 39.757 38.460 0.134 0.000 1.172 416 Y HN 0.329 nan 8.280 nan 0.000 0.478 417 C N 4.714 124.194 119.300 0.300 0.000 2.651 417 C HA 0.031 4.492 4.460 0.001 0.000 0.410 417 C C 1.359 176.449 174.990 0.166 0.000 1.372 417 C CA -0.211 58.926 59.018 0.199 0.000 1.707 417 C CB -0.703 27.130 27.740 0.155 0.000 2.501 417 C HN 0.947 nan 8.230 nan 0.000 0.598 418 E N 2.425 122.709 120.200 0.141 0.000 2.505 418 E HA -0.051 4.300 4.350 0.001 0.000 0.197 418 E C 0.475 177.125 176.600 0.083 0.000 1.111 418 E CA 0.567 57.033 56.400 0.110 0.000 0.887 418 E CB 0.257 30.016 29.700 0.100 0.000 0.913 418 E HN 0.717 nan 8.360 nan 0.000 0.517 419 D N -1.083 119.367 120.400 0.083 0.000 2.760 419 D HA -0.029 4.611 4.640 0.001 0.000 0.285 419 D C 1.455 177.793 176.300 0.063 0.000 1.178 419 D CA 0.089 54.128 54.000 0.065 0.000 1.031 419 D CB -0.470 40.365 40.800 0.058 0.000 1.544 419 D HN 0.154 nan 8.370 nan 0.000 0.468 420 C N 0.924 120.270 119.300 0.075 0.000 2.696 420 C HA 0.136 4.597 4.460 0.001 0.000 0.264 420 C C 0.989 176.026 174.990 0.078 0.000 1.288 420 C CA 0.366 59.427 59.018 0.071 0.000 1.717 420 C CB -1.009 26.777 27.740 0.077 0.000 1.893 420 C HN 0.274 nan 8.230 nan 0.000 0.577 421 Q N -0.425 119.431 119.800 0.093 0.000 2.489 421 Q HA -0.164 4.177 4.340 0.001 0.000 0.259 421 Q C 0.027 176.099 176.000 0.120 0.000 0.934 421 Q CA 0.981 56.837 55.803 0.087 0.000 1.131 421 Q CB -1.813 26.950 28.738 0.041 0.000 1.472 421 Q HN 0.902 nan 8.270 nan 0.000 0.560 422 A N -0.577 122.342 122.820 0.166 0.000 2.293 422 A HA 0.725 5.046 4.320 0.001 0.000 0.302 422 A C 0.082 177.864 177.584 0.330 0.000 1.119 422 A CA -0.075 52.087 52.037 0.209 0.000 0.823 422 A CB 0.914 20.016 19.000 0.169 0.000 1.097 422 A HN 0.740 nan 8.150 nan 0.000 0.491 423 V N 0.608 120.756 119.914 0.391 0.000 2.509 423 V HA 0.536 4.656 4.120 0.001 0.000 0.284 423 V C -0.508 175.764 176.094 0.297 0.000 1.047 423 V CA -0.902 61.695 62.300 0.495 0.000 0.952 423 V CB 1.204 33.434 31.823 0.679 0.000 0.988 423 V HN 0.704 nan 8.190 nan 0.000 0.469 424 N N 3.521 122.359 118.700 0.229 0.000 2.483 424 N HA 0.529 5.270 4.740 0.001 0.000 0.267 424 N C -1.286 174.303 175.510 0.132 0.000 0.998 424 N CA -0.251 52.893 53.050 0.156 0.000 0.918 424 N CB 2.018 40.596 38.487 0.152 0.000 1.215 424 N HN 0.635 nan 8.380 nan 0.000 0.500 425 V N 4.148 124.032 119.914 -0.050 0.000 2.376 425 V HA 0.327 4.448 4.120 0.001 0.000 0.287 425 V C -2.123 174.059 176.094 0.147 0.000 1.015 425 V CA -1.957 60.268 62.300 -0.126 0.000 0.834 425 V CB 1.978 33.255 31.823 -0.911 0.000 1.001 425 V HN 0.434 nan 8.190 nan 0.000 0.428 426 P HA -0.041 nan 4.420 nan 0.000 0.263 426 P C 0.045 177.399 177.300 0.090 0.000 1.162 426 P CA 0.492 63.655 63.100 0.105 0.000 0.758 426 P CB 0.344 32.129 31.700 0.142 0.000 0.773 427 R N 5.379 125.813 120.500 -0.110 0.000 2.707 427 R HA 0.093 4.434 4.340 0.001 0.000 0.270 427 R C -1.658 174.578 176.300 -0.107 0.000 1.083 427 R CA -1.495 54.387 56.100 -0.363 0.000 1.182 427 R CB -0.916 29.191 30.300 -0.322 0.000 1.084 427 R HN 0.340 nan 8.270 nan 0.000 0.528 428 P HA -0.121 nan 4.420 nan 0.000 0.211 428 P C 0.594 177.995 177.300 0.169 0.000 1.179 428 P CA 1.180 64.265 63.100 -0.024 0.000 0.910 428 P CB 0.181 31.822 31.700 -0.098 0.000 0.785 429 E N -0.712 119.525 120.200 0.061 0.000 2.339 429 E HA -0.179 4.171 4.350 0.001 0.000 0.201 429 E C 1.139 177.741 176.600 0.003 0.000 1.015 429 E CA 1.106 57.528 56.400 0.038 0.000 0.841 429 E CB -0.471 29.217 29.700 -0.020 0.000 0.754 429 E HN 0.281 nan 8.360 nan 0.000 0.508 430 R N -0.564 119.932 120.500 -0.007 0.000 2.590 430 R HA 0.093 4.433 4.340 0.001 0.000 0.410 430 R C 1.077 177.331 176.300 -0.076 0.000 1.010 430 R CA 0.079 56.131 56.100 -0.080 0.000 1.155 430 R CB -0.438 29.811 30.300 -0.086 0.000 1.455 430 R HN 0.309 nan 8.270 nan 0.000 0.567 431 Y N 0.793 121.089 120.300 -0.007 0.000 2.181 431 Y HA -0.303 4.248 4.550 0.001 0.000 0.279 431 Y C 1.558 177.480 175.900 0.037 0.000 1.228 431 Y CA 1.426 59.544 58.100 0.030 0.000 1.164 431 Y CB -0.667 37.871 38.460 0.130 0.000 0.959 431 Y HN 0.070 nan 8.280 nan 0.000 0.521 432 L N 0.992 121.794 121.223 -0.703 0.000 2.465 432 L HA 0.018 4.359 4.340 0.001 0.000 0.224 432 L C 0.792 177.558 176.870 -0.174 0.000 1.145 432 L CA 0.747 55.290 54.840 -0.495 0.000 0.834 432 L CB -0.421 41.239 42.059 -0.666 0.000 0.944 432 L HN 0.303 nan 8.230 nan 0.000 0.451 433 E N -0.126 119.989 120.200 -0.141 0.000 2.343 433 E HA 0.102 4.453 4.350 0.001 0.000 0.269 433 E C -0.741 175.802 176.600 -0.095 0.000 1.047 433 E CA -0.435 55.897 56.400 -0.113 0.000 0.874 433 E CB 0.635 30.260 29.700 -0.126 0.000 1.033 433 E HN 0.035 nan 8.360 nan 0.000 0.409 434 D N 3.175 123.470 120.400 -0.175 0.000 2.280 434 D HA 0.257 4.897 4.640 0.001 0.000 0.236 434 D C -2.285 173.686 176.300 -0.550 0.000 1.082 434 D CA -1.661 52.106 54.000 -0.388 0.000 0.834 434 D CB 1.059 41.609 40.800 -0.416 0.000 1.100 434 D HN 0.055 nan 8.370 nan 0.000 0.486 435 P HA 0.069 nan 4.420 nan 0.000 0.269 435 P C 0.590 177.570 177.300 -0.532 0.000 1.215 435 P CA -0.071 62.744 63.100 -0.474 0.000 0.780 435 P CB 0.875 32.354 31.700 -0.367 0.000 0.898 436 T N -1.393 112.981 114.554 -0.299 0.000 2.958 436 T HA 0.180 4.530 4.350 0.001 0.000 0.256 436 T C 0.042 174.667 174.700 -0.124 0.000 0.983 436 T CA 0.302 62.266 62.100 -0.226 0.000 0.924 436 T CB -0.107 68.659 68.868 -0.170 0.000 1.136 436 T HN 0.476 nan 8.240 nan 0.000 0.506 437 S N 0.471 116.113 115.700 -0.096 0.000 2.619 437 S HA 0.429 4.899 4.470 0.001 0.000 0.280 437 S C -0.260 174.330 174.600 -0.017 0.000 1.150 437 S CA -0.886 57.290 58.200 -0.040 0.000 0.978 437 S CB 0.379 63.560 63.200 -0.031 0.000 1.041 437 S HN 0.319 nan 8.310 nan 0.000 0.485 438 C N 5.132 124.444 119.300 0.020 0.000 2.517 438 C HA 0.118 4.579 4.460 0.001 0.000 0.403 438 C C 1.751 176.768 174.990 0.045 0.000 1.467 438 C CA 0.413 59.461 59.018 0.051 0.000 1.542 438 C CB -1.273 26.513 27.740 0.078 0.000 2.482 438 C HN 1.050 nan 8.230 nan 0.000 0.610 439 E N 4.452 124.683 120.200 0.053 0.000 2.461 439 E HA 0.131 4.481 4.350 0.001 0.000 0.196 439 E C 1.090 177.729 176.600 0.066 0.000 1.129 439 E CA 0.729 57.160 56.400 0.052 0.000 0.902 439 E CB -0.002 29.733 29.700 0.057 0.000 0.963 439 E HN 0.797 nan 8.360 nan 0.000 0.503 440 A N 1.018 123.881 122.820 0.072 0.000 2.083 440 A HA 0.059 4.379 4.320 0.001 0.000 0.209 440 A C 2.111 179.729 177.584 0.058 0.000 1.969 440 A CA 0.379 52.460 52.037 0.073 0.000 0.933 440 A CB -0.409 18.647 19.000 0.092 0.000 1.304 440 A HN 0.562 nan 8.150 nan 0.000 0.621 441 C N -0.867 118.468 119.300 0.059 0.000 2.626 441 C HA 0.522 4.982 4.460 0.001 0.000 0.266 441 C C 1.879 176.893 174.990 0.039 0.000 1.317 441 C CA 0.183 59.230 59.018 0.048 0.000 1.716 441 C CB -0.804 26.967 27.740 0.052 0.000 1.819 441 C HN 1.852 nan 8.230 nan 0.000 0.578 442 G N 1.284 110.106 108.800 0.037 0.000 2.196 442 G HA2 -0.283 3.677 3.960 0.001 0.000 0.268 442 G HA3 -0.283 3.677 3.960 0.001 0.000 0.268 442 G C 0.304 175.217 174.900 0.022 0.000 0.975 442 G CA 0.759 45.874 45.100 0.025 0.000 0.648 442 G HN 1.062 nan 8.290 nan 0.000 0.538 443 S N 0.807 116.527 115.700 0.033 0.000 2.576 443 S HA 0.532 5.002 4.470 0.001 0.000 0.276 443 S C 0.084 174.700 174.600 0.027 0.000 1.339 443 S CA -0.472 57.747 58.200 0.032 0.000 1.039 443 S CB 1.504 64.730 63.200 0.044 0.000 0.902 443 S HN 0.157 nan 8.310 nan 0.000 0.516 444 P HA 0.018 nan 4.420 nan 0.000 0.220 444 P C 0.190 177.507 177.300 0.029 0.000 1.154 444 P CA 0.216 63.322 63.100 0.010 0.000 0.830 444 P CB 0.098 31.800 31.700 0.004 0.000 0.803 445 R N 1.303 121.831 120.500 0.046 0.000 2.637 445 R HA 0.185 4.526 4.340 0.001 0.000 0.331 445 R C 0.158 176.517 176.300 0.099 0.000 1.166 445 R CA 0.249 56.389 56.100 0.067 0.000 0.993 445 R CB -1.618 28.720 30.300 0.064 0.000 1.012 445 R HN 0.326 nan 8.270 nan 0.000 0.461 446 L N 2.330 123.626 121.223 0.122 0.000 2.313 446 L HA 0.503 4.844 4.340 0.001 0.000 0.268 446 L C -0.152 176.876 176.870 0.263 0.000 1.010 446 L CA -0.931 54.026 54.840 0.196 0.000 0.814 446 L CB 1.553 43.724 42.059 0.186 0.000 1.304 446 L HN 0.163 nan 8.230 nan 0.000 0.441 447 K N 1.564 122.145 120.400 0.302 0.000 2.535 447 K HA 0.344 4.664 4.320 0.001 0.000 0.250 447 K C -1.288 175.355 176.600 0.070 0.000 0.948 447 K CA -0.700 55.718 56.287 0.219 0.000 0.796 447 K CB 1.212 33.823 32.500 0.185 0.000 1.216 447 K HN 0.330 nan 8.250 nan 0.000 0.432 448 R N 2.104 122.469 120.500 -0.225 0.000 2.297 448 R HA 0.269 4.609 4.340 0.001 0.000 0.308 448 R C -0.549 175.463 176.300 -0.480 0.000 1.029 448 R CA -0.672 54.936 56.100 -0.820 0.000 0.929 448 R CB 0.518 29.846 30.300 -1.620 0.000 1.046 448 R HN 0.547 nan 8.270 nan 0.000 0.461 449 D N 3.028 123.103 120.400 -0.542 0.000 2.433 449 D HA -0.098 4.542 4.640 0.001 0.000 0.274 449 D C 0.315 176.532 176.300 -0.137 0.000 1.344 449 D CA 0.190 54.108 54.000 -0.137 0.000 0.989 449 D CB 0.479 41.265 40.800 -0.025 0.000 1.116 449 D HN 0.629 nan 8.370 nan 0.000 0.533 450 E N 2.007 122.178 120.200 -0.050 0.000 2.335 450 E HA -0.016 4.335 4.350 0.001 0.000 0.191 450 E C 0.212 176.811 176.600 -0.002 0.000 1.150 450 E CA -0.441 55.930 56.400 -0.048 0.000 1.001 450 E CB 0.236 29.924 29.700 -0.020 0.000 1.127 450 E HN 0.327 nan 8.360 nan 0.000 0.462 451 D N 0.795 121.182 120.400 -0.023 0.000 2.045 451 D HA 0.235 4.875 4.640 0.001 0.000 0.280 451 D C 0.046 176.318 176.300 -0.046 0.000 1.117 451 D CA 0.043 54.030 54.000 -0.023 0.000 1.001 451 D CB 0.523 41.283 40.800 -0.067 0.000 1.159 451 D HN -0.025 nan 8.370 nan 0.000 0.477 452 V N -0.978 118.849 119.914 -0.145 0.000 3.155 452 V HA 0.137 4.257 4.120 0.001 0.000 0.272 452 V C -1.187 174.781 176.094 -0.210 0.000 1.639 452 V CA -0.796 61.458 62.300 -0.076 0.000 1.006 452 V CB 1.397 33.282 31.823 0.103 0.000 1.244 452 V HN 0.241 nan 8.190 nan 0.000 0.458 453 F N 1.276 121.209 119.950 -0.028 0.000 2.370 453 F HA 0.461 4.989 4.527 0.001 0.000 0.319 453 F C 0.655 176.470 175.800 0.025 0.000 1.129 453 F CA -0.021 57.953 58.000 -0.044 0.000 1.109 453 F CB 0.559 39.612 39.000 0.088 0.000 1.262 453 F HN 0.554 nan 8.300 nan 0.000 0.534 454 D N 0.505 121.095 120.400 0.316 0.000 2.348 454 D HA 0.067 4.708 4.640 0.001 0.000 0.253 454 D C 1.046 177.526 176.300 0.301 0.000 1.161 454 D CA 0.293 54.496 54.000 0.339 0.000 0.876 454 D CB 1.256 42.389 40.800 0.555 0.000 1.160 454 D HN 0.502 nan 8.370 nan 0.000 0.459 455 T N 3.006 117.574 114.554 0.023 0.000 2.721 455 T HA -0.226 4.124 4.350 0.001 0.000 0.268 455 T C 1.337 175.880 174.700 -0.261 0.000 1.038 455 T CA 1.461 63.381 62.100 -0.300 0.000 1.145 455 T CB -0.304 68.152 68.868 -0.686 0.000 0.858 455 T HN 0.596 nan 8.240 nan 0.000 0.459 456 W N -0.005 121.432 121.300 0.229 0.000 2.525 456 W HA 0.159 4.819 4.660 0.001 0.000 0.259 456 W C 1.854 178.708 176.519 0.558 0.000 1.253 456 W CA -0.555 56.962 57.345 0.287 0.000 1.262 456 W CB -0.503 29.055 29.460 0.163 0.000 1.122 456 W HN 0.182 nan 8.180 nan 0.000 0.607 457 F N 1.527 121.853 119.950 0.627 0.000 2.163 457 F HA -0.181 4.346 4.527 0.001 0.000 0.297 457 F C 2.658 178.655 175.800 0.328 0.000 1.094 457 F CA 1.757 60.095 58.000 0.563 0.000 1.290 457 F CB -0.918 38.264 39.000 0.304 0.000 1.017 457 F HN -0.139 nan 8.300 nan 0.000 0.483 458 S N -0.775 115.007 115.700 0.137 0.000 2.357 458 S HA -0.150 4.320 4.470 0.001 0.000 0.221 458 S C 2.183 176.866 174.600 0.140 0.000 1.031 458 S CA 1.295 59.507 58.200 0.020 0.000 0.982 458 S CB -0.999 62.204 63.200 0.004 0.000 0.853 458 S HN 0.337 nan 8.310 nan 0.000 0.458 459 S N 2.897 118.686 115.700 0.147 0.000 2.370 459 S HA 0.000 4.471 4.470 0.001 0.000 0.226 459 S C 2.270 177.251 174.600 0.636 0.000 1.033 459 S CA 1.192 59.533 58.200 0.234 0.000 1.011 459 S CB -1.023 62.124 63.200 -0.089 0.000 0.852 459 S HN 0.840 nan 8.310 nan 0.000 0.457 460 A N 0.193 123.314 122.820 0.503 0.000 2.131 460 A HA 0.019 4.340 4.320 0.001 0.000 0.220 460 A C 1.077 178.769 177.584 0.179 0.000 1.158 460 A CA 0.890 53.147 52.037 0.366 0.000 0.665 460 A CB -0.310 18.932 19.000 0.403 0.000 0.795 460 A HN 0.361 nan 8.150 nan 0.000 0.460 461 L N -0.536 120.791 121.223 0.175 0.000 2.657 461 L HA 0.282 4.623 4.340 0.001 0.000 0.239 461 L C 0.420 177.407 176.870 0.196 0.000 1.215 461 L CA -0.032 54.833 54.840 0.041 0.000 1.161 461 L CB -0.270 41.762 42.059 -0.045 0.000 1.436 461 L HN 0.601 nan 8.230 nan 0.000 0.414 462 W N 2.207 123.462 121.300 -0.075 0.000 3.772 462 W HA 0.148 4.808 4.660 0.001 0.000 0.224 462 W C -1.066 175.279 176.519 -0.290 0.000 1.009 462 W CA 0.286 57.613 57.345 -0.029 0.000 1.889 462 W CB 0.258 29.883 29.460 0.276 0.000 0.909 462 W HN 0.186 nan 8.180 nan 0.000 0.794 463 P HA -0.110 nan 4.420 nan 0.000 0.240 463 P C 1.042 178.083 177.300 -0.432 0.000 1.186 463 P CA 1.365 63.732 63.100 -1.221 0.000 0.755 463 P CB -0.165 30.843 31.700 -1.153 0.000 0.870 464 L N -0.811 120.227 121.223 -0.308 0.000 2.638 464 L HA 0.064 4.404 4.340 0.001 0.000 0.195 464 L C 2.530 179.367 176.870 -0.056 0.000 1.065 464 L CA 0.959 55.663 54.840 -0.227 0.000 0.859 464 L CB -1.105 40.536 42.059 -0.696 0.000 1.269 464 L HN -0.099 nan 8.230 nan 0.000 0.484 465 S N -0.359 115.289 115.700 -0.087 0.000 2.469 465 S HA -0.138 4.332 4.470 0.001 0.000 0.238 465 S C 1.810 176.313 174.600 -0.162 0.000 0.998 465 S CA 1.378 59.558 58.200 -0.033 0.000 0.957 465 S CB -0.840 62.366 63.200 0.010 0.000 0.764 465 S HN 0.568 nan 8.310 nan 0.000 0.514 466 T N 0.103 114.470 114.554 -0.311 0.000 3.043 466 T HA 0.261 4.611 4.350 0.001 0.000 0.263 466 T C 1.283 175.947 174.700 -0.061 0.000 1.094 466 T CA 0.242 62.144 62.100 -0.330 0.000 1.127 466 T CB -0.502 68.069 68.868 -0.495 0.000 0.905 466 T HN 0.456 nan 8.240 nan 0.000 0.490 467 L N 1.029 122.274 121.223 0.035 0.000 2.791 467 L HA 0.467 4.808 4.340 0.001 0.000 0.239 467 L C 1.682 178.599 176.870 0.079 0.000 1.203 467 L CA -0.022 54.891 54.840 0.122 0.000 1.002 467 L CB -0.618 41.574 42.059 0.221 0.000 1.295 467 L HN 0.502 nan 8.230 nan 0.000 0.504 468 G N 0.349 109.174 108.800 0.041 0.000 2.203 468 G HA2 -0.332 3.629 3.960 0.001 0.000 0.263 468 G HA3 -0.332 3.629 3.960 0.001 0.000 0.263 468 G C 0.597 175.508 174.900 0.017 0.000 1.012 468 G CA 0.716 45.825 45.100 0.016 0.000 0.749 468 G HN 0.800 nan 8.290 nan 0.000 0.512 469 W N 1.059 122.267 121.300 -0.153 0.000 2.424 469 W HA -0.028 4.633 4.660 0.001 0.000 0.264 469 W C 0.141 176.472 176.519 -0.315 0.000 1.229 469 W CA 1.648 58.862 57.345 -0.219 0.000 1.208 469 W CB -0.405 28.929 29.460 -0.210 0.000 1.127 469 W HN 0.373 nan 8.180 nan 0.000 0.588 470 P HA -0.222 nan 4.420 nan 0.000 0.218 470 P C 0.811 177.504 177.300 -1.011 0.000 1.146 470 P CA 1.779 64.443 63.100 -0.727 0.000 0.820 470 P CB 0.085 31.624 31.700 -0.268 0.000 0.778 471 E N -0.255 119.590 120.200 -0.592 0.000 3.310 471 E HA 0.165 4.515 4.350 0.001 0.000 0.423 471 E C 0.473 176.792 176.600 -0.469 0.000 0.353 471 E CA -0.109 56.014 56.400 -0.462 0.000 2.521 471 E CB -0.088 29.465 29.700 -0.245 0.000 2.229 471 E HN 0.071 nan 8.360 nan 0.000 0.443 472 E N 0.325 120.359 120.200 -0.276 0.000 3.640 472 E HA 0.107 4.458 4.350 0.001 0.000 0.157 472 E C -0.596 175.925 176.600 -0.132 0.000 0.974 472 E CA -0.002 56.271 56.400 -0.211 0.000 1.465 472 E CB 0.440 30.016 29.700 -0.206 0.000 1.098 472 E HN 0.178 nan 8.360 nan 0.000 0.414 473 T N -0.061 114.429 114.554 -0.107 0.000 2.576 473 T HA -0.123 4.228 4.350 0.001 0.000 0.351 473 T C 1.026 175.676 174.700 -0.083 0.000 1.066 473 T CA 0.940 62.992 62.100 -0.079 0.000 1.046 473 T CB 0.803 69.641 68.868 -0.049 0.000 0.999 473 T HN 0.445 nan 8.240 nan 0.000 0.544 474 E N -0.580 119.564 120.200 -0.093 0.000 2.216 474 E HA -0.046 4.304 4.350 0.001 0.000 0.192 474 E C 1.466 177.932 176.600 -0.223 0.000 0.973 474 E CA 0.334 56.654 56.400 -0.133 0.000 0.851 474 E CB 0.095 29.725 29.700 -0.116 0.000 0.804 474 E HN 0.560 nan 8.360 nan 0.000 0.477 475 D N 1.059 121.354 120.400 -0.175 0.000 2.097 475 D HA -0.193 4.447 4.640 0.001 0.000 0.195 475 D C 2.041 178.227 176.300 -0.190 0.000 0.989 475 D CA 0.770 54.628 54.000 -0.237 0.000 0.827 475 D CB -0.203 40.655 40.800 0.097 0.000 0.966 475 D HN 0.244 nan 8.370 nan 0.000 0.456 476 L N 0.759 121.970 121.223 -0.021 0.000 2.083 476 L HA -0.172 4.168 4.340 0.001 0.000 0.209 476 L C 2.291 179.168 176.870 0.013 0.000 1.083 476 L CA 1.382 56.261 54.840 0.065 0.000 0.752 476 L CB -0.045 42.046 42.059 0.053 0.000 0.899 476 L HN -0.063 nan 8.230 nan 0.000 0.433 477 K N -0.285 120.065 120.400 -0.083 0.000 2.103 477 K HA -0.119 4.202 4.320 0.001 0.000 0.204 477 K C 1.976 178.507 176.600 -0.115 0.000 1.052 477 K CA 1.038 57.279 56.287 -0.077 0.000 0.945 477 K CB -0.072 32.373 32.500 -0.093 0.000 0.722 477 K HN 0.406 nan 8.250 nan 0.000 0.443 478 A N 1.230 123.863 122.820 -0.311 0.000 1.877 478 A HA -0.058 4.263 4.320 0.001 0.000 0.216 478 A C 0.782 178.223 177.584 -0.239 0.000 1.186 478 A CA 1.243 53.003 52.037 -0.462 0.000 0.620 478 A CB -0.344 18.048 19.000 -1.012 0.000 0.822 478 A HN 0.453 nan 8.150 nan 0.000 0.443 479 F N -3.777 116.213 119.950 0.067 0.000 3.050 479 F HA 0.542 5.069 4.527 0.001 0.000 0.382 479 F C 0.057 175.929 175.800 0.121 0.000 1.246 479 F CA -1.189 56.843 58.000 0.054 0.000 1.217 479 F CB 0.075 39.071 39.000 -0.007 0.000 1.795 479 F HN 0.143 nan 8.300 nan 0.000 0.622 480 Y N 2.888 123.318 120.300 0.216 0.000 2.217 480 Y HA 0.474 5.025 4.550 0.001 0.000 0.286 480 Y C -1.866 174.144 175.900 0.184 0.000 1.117 480 Y CA -0.307 57.910 58.100 0.196 0.000 1.113 480 Y CB -0.827 37.680 38.460 0.078 0.000 1.053 480 Y HN 0.100 nan 8.280 nan 0.000 0.501 481 P HA 0.087 nan 4.420 nan 0.000 0.254 481 P C -0.215 176.956 177.300 -0.214 0.000 1.186 481 P CA 0.723 63.499 63.100 -0.539 0.000 0.868 481 P CB 0.081 31.622 31.700 -0.265 0.000 0.856 482 G N 3.126 111.882 108.800 -0.072 0.000 2.484 482 G HA2 -0.064 3.897 3.960 0.001 0.000 0.235 482 G HA3 -0.064 3.897 3.960 0.001 0.000 0.235 482 G C 0.624 175.427 174.900 -0.162 0.000 1.282 482 G CA -0.359 44.701 45.100 -0.066 0.000 0.857 482 G HN 0.383 nan 8.290 nan 0.000 0.571 483 D N -0.413 119.756 120.400 -0.386 0.000 2.213 483 D HA -0.006 4.634 4.640 0.001 0.000 0.205 483 D C 0.425 176.557 176.300 -0.280 0.000 0.961 483 D CA 1.059 54.842 54.000 -0.361 0.000 0.853 483 D CB 0.652 41.098 40.800 -0.589 0.000 0.967 483 D HN 0.082 nan 8.370 nan 0.000 0.496 484 V N 1.555 121.262 119.914 -0.346 0.000 2.711 484 V HA 0.186 4.306 4.120 0.001 0.000 0.304 484 V C -1.081 174.875 176.094 -0.231 0.000 1.097 484 V CA -0.829 61.329 62.300 -0.238 0.000 0.906 484 V CB 2.825 34.558 31.823 -0.149 0.000 1.015 484 V HN -0.050 nan 8.190 nan 0.000 0.427 485 L N 6.656 127.693 121.223 -0.310 0.000 2.257 485 L HA 0.695 5.035 4.340 0.001 0.000 0.290 485 L C -0.546 176.156 176.870 -0.280 0.000 1.044 485 L CA 0.174 54.805 54.840 -0.348 0.000 0.810 485 L CB 1.453 42.962 42.059 -0.917 0.000 1.193 485 L HN 0.461 nan 8.230 nan 0.000 0.425 486 V N 4.959 124.798 119.914 -0.124 0.000 2.370 486 V HA 0.754 4.875 4.120 0.001 0.000 0.283 486 V C 0.164 176.225 176.094 -0.054 0.000 1.023 486 V CA -0.187 62.059 62.300 -0.091 0.000 0.857 486 V CB 1.261 33.068 31.823 -0.027 0.000 0.985 486 V HN 0.904 nan 8.190 nan 0.000 0.443 487 T N 3.055 117.472 114.554 -0.227 0.000 2.775 487 T HA 0.560 4.911 4.350 0.001 0.000 0.320 487 T C -0.345 173.853 174.700 -0.837 0.000 1.597 487 T CA 0.102 62.009 62.100 -0.321 0.000 1.022 487 T CB 1.590 70.420 68.868 -0.064 0.000 1.485 487 T HN 0.970 nan 8.240 nan 0.000 0.494 488 G N 1.403 109.684 108.800 -0.866 0.000 2.377 488 G HA2 0.462 4.422 3.960 0.001 0.000 0.299 488 G HA3 0.462 4.422 3.960 0.001 0.000 0.299 488 G C 0.796 175.322 174.900 -0.623 0.000 1.150 488 G CA -0.257 44.275 45.100 -0.946 0.000 0.847 488 G HN 0.876 nan 8.290 nan 0.000 0.501 489 Y N 0.959 120.916 120.300 -0.572 0.000 2.348 489 Y HA -0.294 4.256 4.550 0.001 0.000 0.285 489 Y C 2.039 177.659 175.900 -0.468 0.000 1.173 489 Y CA 1.001 58.662 58.100 -0.732 0.000 1.263 489 Y CB -0.843 36.997 38.460 -1.032 0.000 0.974 489 Y HN 0.542 nan 8.280 nan 0.000 0.547 490 D N 2.186 122.598 120.400 0.019 0.000 2.239 490 D HA -0.245 4.396 4.640 0.001 0.000 0.202 490 D C 1.235 177.470 176.300 -0.108 0.000 0.993 490 D CA 1.946 55.971 54.000 0.041 0.000 0.874 490 D CB -0.731 40.068 40.800 -0.002 0.000 0.922 490 D HN 0.757 nan 8.370 nan 0.000 0.464 491 I N -2.590 117.891 120.570 -0.148 0.000 3.569 491 I HA 0.276 4.446 4.170 0.001 0.000 0.334 491 I C 1.369 177.377 176.117 -0.181 0.000 1.570 491 I CA -0.642 60.573 61.300 -0.141 0.000 1.082 491 I CB 0.356 38.379 38.000 0.039 0.000 1.323 491 I HN -0.197 nan 8.210 nan 0.000 0.489 492 L N 0.556 121.544 121.223 -0.392 0.000 2.191 492 L HA -0.005 4.335 4.340 0.001 0.000 0.212 492 L C 1.534 178.145 176.870 -0.431 0.000 1.103 492 L CA 2.216 56.779 54.840 -0.461 0.000 0.769 492 L CB -0.426 41.231 42.059 -0.670 0.000 0.908 492 L HN 0.352 nan 8.230 nan 0.000 0.438 493 F N -1.027 118.643 119.950 -0.467 0.000 2.298 493 F HA 0.020 4.548 4.527 0.001 0.000 0.282 493 F C 1.998 177.336 175.800 -0.769 0.000 1.045 493 F CA 0.470 57.928 58.000 -0.904 0.000 1.280 493 F CB -0.241 38.099 39.000 -1.099 0.000 1.114 493 F HN -0.066 nan 8.300 nan 0.000 0.546 494 L N -1.979 118.995 121.223 -0.415 0.000 2.622 494 L HA -0.001 4.340 4.340 0.001 0.000 0.233 494 L C 1.461 178.288 176.870 -0.072 0.000 1.156 494 L CA 0.757 55.286 54.840 -0.520 0.000 0.866 494 L CB -0.563 40.820 42.059 -1.126 0.000 0.980 494 L HN 0.497 nan 8.230 nan 0.000 0.448 495 W N 0.078 121.281 121.300 -0.163 0.000 4.165 495 W HA 0.073 4.733 4.660 0.001 0.000 0.196 495 W C 1.837 178.384 176.519 0.046 0.000 1.586 495 W CA 0.248 57.645 57.345 0.087 0.000 2.518 495 W CB 0.120 29.644 29.460 0.107 0.000 1.322 495 W HN -0.240 nan 8.180 nan 0.000 0.690 496 V N 2.035 121.838 119.914 -0.184 0.000 2.252 496 V HA -0.364 3.757 4.120 0.001 0.000 0.249 496 V C 2.291 178.354 176.094 -0.052 0.000 1.056 496 V CA 2.692 64.824 62.300 -0.281 0.000 1.022 496 V CB -1.373 30.311 31.823 -0.232 0.000 0.641 496 V HN 0.279 nan 8.190 nan 0.000 0.445 497 S N -0.583 115.088 115.700 -0.050 0.000 2.351 497 S HA -0.257 4.213 4.470 0.001 0.000 0.220 497 S C 2.091 176.737 174.600 0.078 0.000 1.035 497 S CA 1.742 59.959 58.200 0.028 0.000 1.031 497 S CB -0.444 62.651 63.200 -0.174 0.000 0.928 497 S HN 0.396 nan 8.310 nan 0.000 0.433 498 R N 1.178 121.697 120.500 0.033 0.000 2.159 498 R HA -0.108 4.233 4.340 0.001 0.000 0.252 498 R C 2.332 178.723 176.300 0.150 0.000 1.144 498 R CA 1.892 58.085 56.100 0.155 0.000 0.961 498 R CB -0.756 29.660 30.300 0.192 0.000 0.877 498 R HN 0.475 nan 8.270 nan 0.000 0.444 499 M N -0.358 119.256 119.600 0.023 0.000 2.077 499 M HA -0.159 4.322 4.480 0.001 0.000 0.261 499 M C 1.961 178.223 176.300 -0.064 0.000 1.070 499 M CA 1.723 56.974 55.300 -0.082 0.000 1.125 499 M CB -0.437 31.998 32.600 -0.274 0.000 1.339 499 M HN 0.168 nan 8.290 nan 0.000 0.409 500 E N -0.252 119.960 120.200 0.020 0.000 2.208 500 E HA -0.218 4.132 4.350 0.001 0.000 0.202 500 E C 1.906 178.636 176.600 0.216 0.000 1.014 500 E CA 1.343 57.812 56.400 0.115 0.000 0.819 500 E CB -0.276 29.585 29.700 0.267 0.000 0.735 500 E HN 0.309 nan 8.360 nan 0.000 0.469 501 V N 0.811 120.832 119.914 0.178 0.000 2.251 501 V HA -0.240 3.881 4.120 0.001 0.000 0.237 501 V C 2.474 178.651 176.094 0.140 0.000 1.040 501 V CA 1.821 64.238 62.300 0.196 0.000 1.005 501 V CB -0.467 31.490 31.823 0.223 0.000 0.645 501 V HN 0.410 nan 8.190 nan 0.000 0.458 502 S N 0.581 116.331 115.700 0.084 0.000 2.441 502 S HA -0.179 4.292 4.470 0.001 0.000 0.242 502 S C 1.872 176.397 174.600 -0.125 0.000 1.018 502 S CA 2.003 60.151 58.200 -0.087 0.000 0.988 502 S CB -0.848 62.327 63.200 -0.042 0.000 0.778 502 S HN 0.649 nan 8.310 nan 0.000 0.498 503 G N -0.511 108.247 108.800 -0.070 0.000 2.417 503 G HA2 -0.003 3.958 3.960 0.001 0.000 0.212 503 G HA3 -0.003 3.958 3.960 0.001 0.000 0.212 503 G C 1.158 176.046 174.900 -0.019 0.000 1.187 503 G CA 0.440 45.480 45.100 -0.100 0.000 0.804 503 G HN 0.587 nan 8.290 nan 0.000 0.534 504 Y N -0.254 120.054 120.300 0.014 0.000 2.497 504 Y HA -0.006 4.544 4.550 0.001 0.000 0.292 504 Y C 2.574 178.543 175.900 0.115 0.000 1.137 504 Y CA 1.425 59.566 58.100 0.068 0.000 1.285 504 Y CB 0.169 38.674 38.460 0.076 0.000 0.991 504 Y HN 0.426 nan 8.280 nan 0.000 0.556 505 H N -1.675 117.460 119.070 0.110 0.000 2.439 505 H HA 0.081 4.637 4.556 0.001 0.000 0.299 505 H C 1.195 176.592 175.328 0.114 0.000 1.033 505 H CA 1.103 57.179 56.048 0.046 0.000 1.348 505 H CB -0.457 29.246 29.762 -0.098 0.000 1.449 505 H HN 0.252 nan 8.280 nan 0.000 0.544 506 F N 0.358 120.227 119.950 -0.135 0.000 2.732 506 F HA 0.249 4.776 4.527 0.001 0.000 0.303 506 F C -0.109 175.658 175.800 -0.055 0.000 1.110 506 F CA -0.303 57.612 58.000 -0.143 0.000 1.355 506 F CB 0.469 39.398 39.000 -0.118 0.000 1.081 506 F HN 0.046 nan 8.300 nan 0.000 0.565 507 M N -0.765 118.878 119.600 0.072 0.000 2.426 507 M HA 0.229 4.709 4.480 0.001 0.000 0.289 507 M C 0.394 176.706 176.300 0.019 0.000 1.168 507 M CA -0.267 55.017 55.300 -0.027 0.000 0.933 507 M CB 1.152 33.596 32.600 -0.261 0.000 1.750 507 M HN -0.099 nan 8.290 nan 0.000 0.494 508 G N 1.248 110.072 108.800 0.039 0.000 3.375 508 G HA2 0.217 4.178 3.960 0.001 0.000 0.247 508 G HA3 0.217 4.178 3.960 0.001 0.000 0.247 508 G C 0.109 175.034 174.900 0.041 0.000 1.343 508 G CA 0.402 45.554 45.100 0.087 0.000 1.368 508 G HN 0.716 nan 8.290 nan 0.000 0.549 509 E N -0.585 119.576 120.200 -0.065 0.000 2.449 509 E HA 0.382 4.732 4.350 0.001 0.000 0.278 509 E C -0.277 175.966 176.600 -0.595 0.000 0.992 509 E CA -1.194 55.077 56.400 -0.215 0.000 0.807 509 E CB 1.697 31.444 29.700 0.078 0.000 1.350 509 E HN 0.297 nan 8.360 nan 0.000 0.462 510 R N 1.031 121.114 120.500 -0.694 0.000 2.442 510 R HA 0.233 4.573 4.340 0.001 0.000 0.291 510 R C -2.202 173.691 176.300 -0.677 0.000 1.069 510 R CA -1.191 54.471 56.100 -0.731 0.000 1.022 510 R CB 0.453 30.532 30.300 -0.368 0.000 0.976 510 R HN 0.139 nan 8.270 nan 0.000 0.443 511 P HA -0.020 nan 4.420 nan 0.000 0.233 511 P C -0.907 175.786 177.300 -1.012 0.000 1.167 511 P CA 0.763 63.185 63.100 -1.130 0.000 0.770 511 P CB 0.098 30.991 31.700 -1.346 0.000 0.837 512 F N -3.958 115.821 119.950 -0.285 0.000 2.688 512 F HA 0.438 4.965 4.527 0.001 0.000 0.308 512 F C 0.712 176.392 175.800 -0.199 0.000 1.117 512 F CA -1.474 56.399 58.000 -0.211 0.000 0.976 512 F CB 0.609 39.519 39.000 -0.151 0.000 1.291 512 F HN -0.476 nan 8.300 nan 0.000 0.439 513 K N -0.264 120.163 120.400 0.045 0.000 2.243 513 K HA 0.247 4.568 4.320 0.001 0.000 0.201 513 K C -0.225 176.350 176.600 -0.043 0.000 1.051 513 K CA 0.949 57.232 56.287 -0.007 0.000 0.970 513 K CB 0.187 32.668 32.500 -0.032 0.000 0.755 513 K HN 0.662 nan 8.250 nan 0.000 0.465 514 T N 1.146 115.638 114.554 -0.103 0.000 3.071 514 T HA 0.271 4.621 4.350 0.001 0.000 0.311 514 T C -1.135 173.348 174.700 -0.362 0.000 1.042 514 T CA -0.663 61.311 62.100 -0.210 0.000 1.028 514 T CB 2.422 71.207 68.868 -0.137 0.000 1.068 514 T HN -0.253 nan 8.240 nan 0.000 0.451 515 V N 4.224 123.800 119.914 -0.564 0.000 2.370 515 V HA 0.499 4.620 4.120 0.001 0.000 0.279 515 V C -0.229 175.619 176.094 -0.409 0.000 1.029 515 V CA -0.757 61.152 62.300 -0.652 0.000 0.870 515 V CB 1.295 32.566 31.823 -0.919 0.000 0.984 515 V HN 0.735 nan 8.190 nan 0.000 0.451 516 L N 6.734 127.765 121.223 -0.321 0.000 2.283 516 L HA 0.485 4.826 4.340 0.001 0.000 0.281 516 L C -0.759 175.967 176.870 -0.240 0.000 1.033 516 L CA -0.048 54.668 54.840 -0.206 0.000 0.848 516 L CB 0.612 42.577 42.059 -0.157 0.000 1.226 516 L HN 0.394 nan 8.230 nan 0.000 0.429 517 L N 5.938 127.017 121.223 -0.240 0.000 2.276 517 L HA 0.396 4.736 4.340 0.001 0.000 0.286 517 L C 0.238 176.985 176.870 -0.205 0.000 1.061 517 L CA -0.152 54.458 54.840 -0.385 0.000 0.807 517 L CB 0.776 42.423 42.059 -0.688 0.000 1.177 517 L HN 0.730 nan 8.230 nan 0.000 0.429 518 H N 0.843 119.780 119.070 -0.222 0.000 2.616 518 H HA 0.671 5.228 4.556 0.001 0.000 0.353 518 H C 0.084 175.247 175.328 -0.276 0.000 1.170 518 H CA -0.852 55.089 56.048 -0.178 0.000 1.212 518 H CB 1.769 31.430 29.762 -0.169 0.000 1.653 518 H HN 0.589 nan 8.280 nan 0.000 0.537 519 G N 0.563 109.399 108.800 0.060 0.000 2.525 519 G HA2 0.358 4.318 3.960 0.001 0.000 0.276 519 G HA3 0.358 4.318 3.960 0.001 0.000 0.276 519 G C -0.333 174.487 174.900 -0.133 0.000 1.388 519 G CA -0.848 44.192 45.100 -0.100 0.000 1.050 519 G HN 0.556 nan 8.290 nan 0.000 0.520 520 L N -0.422 120.705 121.223 -0.160 0.000 2.342 520 L HA 0.546 4.886 4.340 0.001 0.000 0.271 520 L C 0.372 177.211 176.870 -0.052 0.000 1.008 520 L CA -1.251 53.525 54.840 -0.107 0.000 0.818 520 L CB 1.762 43.755 42.059 -0.109 0.000 1.296 520 L HN 0.454 nan 8.230 nan 0.000 0.427 521 V N 1.534 121.413 119.914 -0.059 0.000 2.785 521 V HA 0.722 4.842 4.120 0.001 0.000 0.300 521 V C -0.563 175.501 176.094 -0.051 0.000 1.062 521 V CA -0.375 61.894 62.300 -0.051 0.000 1.029 521 V CB 1.404 33.196 31.823 -0.051 0.000 1.024 521 V HN 0.649 nan 8.190 nan 0.000 0.477 522 L N 1.501 122.704 121.223 -0.035 0.000 2.545 522 L HA 0.661 5.001 4.340 0.001 0.000 0.258 522 L C -0.667 176.190 176.870 -0.022 0.000 0.942 522 L CA -1.020 53.798 54.840 -0.036 0.000 0.855 522 L CB 1.024 43.077 42.059 -0.011 0.000 1.374 522 L HN 0.850 nan 8.230 nan 0.000 0.411 523 D N 0.668 121.050 120.400 -0.030 0.000 2.515 523 D HA -0.061 4.579 4.640 0.001 0.000 0.230 523 D C 1.157 177.459 176.300 0.002 0.000 1.181 523 D CA 0.444 54.435 54.000 -0.015 0.000 0.875 523 D CB 0.661 41.451 40.800 -0.018 0.000 1.213 523 D HN 0.805 nan 8.370 nan 0.000 0.478 524 E N 2.467 122.673 120.200 0.011 0.000 2.208 524 E HA -0.355 3.995 4.350 0.001 0.000 0.202 524 E C 1.059 177.668 176.600 0.015 0.000 1.014 524 E CA 1.512 57.923 56.400 0.019 0.000 0.819 524 E CB -0.580 29.131 29.700 0.018 0.000 0.735 524 E HN 0.704 nan 8.360 nan 0.000 0.469 525 K N 0.151 120.556 120.400 0.009 0.000 2.519 525 K HA -0.030 4.291 4.320 0.001 0.000 0.196 525 K C 1.330 177.935 176.600 0.009 0.000 1.041 525 K CA 0.744 57.036 56.287 0.007 0.000 0.954 525 K CB -0.178 32.323 32.500 0.003 0.000 0.774 525 K HN 0.489 nan 8.250 nan 0.000 0.480 526 G N 1.681 110.488 108.800 0.012 0.000 2.213 526 G HA2 -0.294 3.666 3.960 0.001 0.000 0.236 526 G HA3 -0.294 3.666 3.960 0.001 0.000 0.236 526 G C -0.102 174.807 174.900 0.014 0.000 0.991 526 G CA 0.275 45.384 45.100 0.016 0.000 0.629 526 G HN 0.504 nan 8.290 nan 0.000 0.517 527 Q N 0.796 120.599 119.800 0.006 0.000 2.243 527 Q HA 0.669 5.009 4.340 0.001 0.000 0.252 527 Q C 0.353 176.347 176.000 -0.010 0.000 0.909 527 Q CA -0.609 55.196 55.803 0.003 0.000 0.922 527 Q CB 1.616 30.353 28.738 -0.001 0.000 1.215 527 Q HN 0.339 nan 8.270 nan 0.000 0.427 528 K N 2.628 123.026 120.400 -0.004 0.000 2.600 528 K HA -0.119 4.202 4.320 0.001 0.000 0.280 528 K C -0.594 175.958 176.600 -0.081 0.000 0.971 528 K CA 0.244 56.515 56.287 -0.026 0.000 1.053 528 K CB 0.432 32.932 32.500 0.001 0.000 0.856 528 K HN 0.837 nan 8.250 nan 0.000 0.495 529 M N 3.705 123.215 119.600 -0.150 0.000 2.180 529 M HA 0.116 4.597 4.480 0.001 0.000 0.358 529 M C -1.218 174.839 176.300 -0.406 0.000 1.233 529 M CA 0.307 55.438 55.300 -0.282 0.000 1.114 529 M CB 0.803 33.178 32.600 -0.375 0.000 1.594 529 M HN 0.822 nan 8.290 nan 0.000 0.467 530 S N 3.494 119.000 115.700 -0.325 0.000 2.606 530 S HA 0.269 4.740 4.470 0.001 0.000 0.290 530 S C -0.070 174.491 174.600 -0.065 0.000 1.103 530 S CA -1.136 56.946 58.200 -0.196 0.000 0.870 530 S CB 1.091 64.252 63.200 -0.065 0.000 1.077 530 S HN 0.765 nan 8.310 nan 0.000 0.448 531 K N 1.585 122.006 120.400 0.036 0.000 2.173 531 K HA -0.117 4.203 4.320 0.001 0.000 0.207 531 K C 2.010 178.624 176.600 0.023 0.000 1.046 531 K CA 1.921 58.241 56.287 0.056 0.000 0.929 531 K CB -0.782 31.779 32.500 0.101 0.000 0.720 531 K HN 0.659 nan 8.250 nan 0.000 0.453 532 S N 1.487 117.198 115.700 0.018 0.000 2.354 532 S HA -0.156 4.315 4.470 0.001 0.000 0.219 532 S C 1.862 176.459 174.600 -0.004 0.000 1.035 532 S CA 1.521 59.726 58.200 0.008 0.000 1.037 532 S CB -0.207 63.001 63.200 0.012 0.000 0.956 532 S HN 0.215 nan 8.310 nan 0.000 0.428 533 K N 0.694 121.084 120.400 -0.016 0.000 2.283 533 K HA 0.136 4.457 4.320 0.001 0.000 0.202 533 K C 1.291 177.880 176.600 -0.017 0.000 1.048 533 K CA 0.695 56.971 56.287 -0.019 0.000 0.948 533 K CB -0.696 31.787 32.500 -0.030 0.000 0.742 533 K HN 0.517 nan 8.250 nan 0.000 0.458 534 G N 1.588 110.378 108.800 -0.017 0.000 2.147 534 G HA2 -0.275 3.685 3.960 0.001 0.000 0.244 534 G HA3 -0.275 3.685 3.960 0.001 0.000 0.244 534 G C -0.181 174.710 174.900 -0.015 0.000 1.005 534 G CA 0.461 45.556 45.100 -0.008 0.000 0.713 534 G HN 0.443 nan 8.290 nan 0.000 0.515 535 N N -0.667 118.012 118.700 -0.036 0.000 2.458 535 N HA 0.357 5.097 4.740 0.001 0.000 0.274 535 N C 0.280 175.752 175.510 -0.064 0.000 1.242 535 N CA 0.182 53.207 53.050 -0.041 0.000 0.904 535 N CB 0.345 38.804 38.487 -0.046 0.000 1.206 535 N HN 0.921 nan 8.380 nan 0.000 0.510 536 V N -1.550 118.334 119.914 -0.050 0.000 2.644 536 V HA 0.623 4.743 4.120 0.001 0.000 0.295 536 V C 0.194 176.296 176.094 0.013 0.000 1.053 536 V CA -1.000 61.270 62.300 -0.050 0.000 0.987 536 V CB 0.999 32.820 31.823 -0.002 0.000 1.006 536 V HN 0.105 nan 8.190 nan 0.000 0.472 537 I N 2.467 123.056 120.570 0.031 0.000 2.418 537 I HA 0.387 4.557 4.170 0.001 0.000 0.287 537 I C -0.312 175.859 176.117 0.091 0.000 1.008 537 I CA -0.532 60.801 61.300 0.055 0.000 1.104 537 I CB 1.602 39.628 38.000 0.043 0.000 1.264 537 I HN 0.610 nan 8.210 nan 0.000 0.438 538 D N 9.255 129.709 120.400 0.090 0.000 2.450 538 D HA 0.048 4.688 4.640 0.001 0.000 0.247 538 D C -1.257 175.098 176.300 0.092 0.000 1.162 538 D CA -1.723 52.336 54.000 0.098 0.000 0.879 538 D CB 1.517 42.365 40.800 0.080 0.000 1.163 538 D HN 0.322 nan 8.370 nan 0.000 0.472 539 P HA -0.157 nan 4.420 nan 0.000 0.218 539 P C 1.743 179.094 177.300 0.085 0.000 1.148 539 P CA 0.873 64.028 63.100 0.092 0.000 0.822 539 P CB 0.308 32.070 31.700 0.103 0.000 0.784 540 L N -0.041 121.228 121.223 0.078 0.000 2.141 540 L HA -0.095 4.245 4.340 0.001 0.000 0.209 540 L C 2.881 179.788 176.870 0.063 0.000 1.094 540 L CA 1.328 56.206 54.840 0.064 0.000 0.763 540 L CB -1.072 41.019 42.059 0.052 0.000 0.908 540 L HN 0.069 nan 8.230 nan 0.000 0.437 541 E N 0.426 120.668 120.200 0.069 0.000 2.153 541 E HA -0.233 4.117 4.350 0.001 0.000 0.194 541 E C 2.239 178.901 176.600 0.104 0.000 0.988 541 E CA 1.104 57.547 56.400 0.072 0.000 0.811 541 E CB 0.162 29.904 29.700 0.071 0.000 0.746 541 E HN 0.359 nan 8.360 nan 0.000 0.466 542 M N 0.671 120.342 119.600 0.118 0.000 2.287 542 M HA -0.068 4.412 4.480 0.001 0.000 0.266 542 M C 2.618 179.028 176.300 0.183 0.000 1.079 542 M CA 0.882 56.287 55.300 0.176 0.000 1.146 542 M CB -0.763 31.897 32.600 0.099 0.000 1.374 542 M HN 0.240 nan 8.290 nan 0.000 0.435 543 V N -0.860 119.118 119.914 0.106 0.000 2.343 543 V HA -0.178 3.942 4.120 0.001 0.000 0.247 543 V C 2.195 178.314 176.094 0.042 0.000 1.051 543 V CA 2.136 64.477 62.300 0.068 0.000 1.036 543 V CB -0.888 30.952 31.823 0.029 0.000 0.654 543 V HN 0.404 nan 8.190 nan 0.000 0.451 544 E N 0.948 121.170 120.200 0.036 0.000 2.118 544 E HA -0.289 4.061 4.350 0.001 0.000 0.195 544 E C 2.439 179.032 176.600 -0.012 0.000 0.992 544 E CA 2.133 58.534 56.400 0.001 0.000 0.804 544 E CB -0.208 29.496 29.700 0.007 0.000 0.741 544 E HN 0.742 nan 8.360 nan 0.000 0.458 545 R N -1.499 119.022 120.500 0.036 0.000 2.075 545 R HA -0.101 4.239 4.340 0.001 0.000 0.226 545 R C 1.584 177.769 176.300 -0.193 0.000 1.114 545 R CA 1.357 57.420 56.100 -0.063 0.000 0.972 545 R CB 0.027 30.332 30.300 0.008 0.000 0.869 545 R HN 0.167 nan 8.270 nan 0.000 0.437 546 Y N -1.572 118.717 120.300 -0.019 0.000 2.467 546 Y HA 0.421 4.972 4.550 0.001 0.000 0.259 546 Y C 0.523 176.388 175.900 -0.059 0.000 1.084 546 Y CA 0.314 58.402 58.100 -0.019 0.000 1.275 546 Y CB 1.281 39.761 38.460 0.034 0.000 1.208 546 Y HN 0.262 nan 8.280 nan 0.000 0.511 547 G N 0.123 108.984 108.800 0.102 0.000 2.770 547 G HA2 0.171 4.131 3.960 0.001 0.000 0.686 547 G HA3 0.171 4.131 3.960 0.001 0.000 0.686 547 G C 0.631 175.546 174.900 0.025 0.000 1.180 547 G CA -0.466 44.624 45.100 -0.017 0.000 0.767 547 G HN 0.452 nan 8.290 nan 0.000 0.646 548 A N 0.922 123.712 122.820 -0.050 0.000 1.892 548 A HA -0.081 4.239 4.320 0.001 0.000 0.218 548 A C 2.087 179.749 177.584 0.130 0.000 1.188 548 A CA 2.609 54.650 52.037 0.006 0.000 0.631 548 A CB -0.447 18.459 19.000 -0.157 0.000 0.822 548 A HN 0.809 nan 8.150 nan 0.000 0.447 549 D N -0.180 120.308 120.400 0.148 0.000 2.182 549 D HA -0.082 4.559 4.640 0.001 0.000 0.201 549 D C 2.237 178.689 176.300 0.254 0.000 0.986 549 D CA 1.379 55.531 54.000 0.253 0.000 0.847 549 D CB -0.313 40.639 40.800 0.253 0.000 0.942 549 D HN 0.465 nan 8.370 nan 0.000 0.467 550 A N 1.380 124.322 122.820 0.203 0.000 1.828 550 A HA -0.172 4.148 4.320 0.001 0.000 0.215 550 A C 2.186 179.912 177.584 0.235 0.000 1.203 550 A CA 1.182 53.365 52.037 0.242 0.000 0.614 550 A CB -1.018 18.108 19.000 0.211 0.000 0.844 550 A HN 0.239 nan 8.150 nan 0.000 0.445 551 L N 0.138 121.451 121.223 0.151 0.000 2.034 551 L HA -0.260 4.081 4.340 0.001 0.000 0.217 551 L C 2.428 179.371 176.870 0.122 0.000 1.077 551 L CA 2.421 57.321 54.840 0.099 0.000 0.769 551 L CB -0.830 41.282 42.059 0.088 0.000 0.890 551 L HN 0.426 nan 8.230 nan 0.000 0.435 552 R N -1.856 118.747 120.500 0.172 0.000 2.080 552 R HA -0.210 4.130 4.340 0.001 0.000 0.236 552 R C 2.263 178.667 176.300 0.173 0.000 1.137 552 R CA 1.917 58.116 56.100 0.165 0.000 0.943 552 R CB -0.705 29.723 30.300 0.214 0.000 0.846 552 R HN 0.394 nan 8.270 nan 0.000 0.431 553 F N 1.185 121.212 119.950 0.129 0.000 2.134 553 F HA -0.158 4.369 4.527 0.001 0.000 0.299 553 F C 2.241 178.109 175.800 0.114 0.000 1.097 553 F CA 1.228 59.325 58.000 0.162 0.000 1.264 553 F CB -0.450 38.708 39.000 0.263 0.000 1.001 553 F HN 0.026 nan 8.300 nan 0.000 0.479 554 A N 0.779 123.692 122.820 0.155 0.000 1.834 554 A HA -0.198 4.123 4.320 0.001 0.000 0.216 554 A C 2.281 179.796 177.584 -0.114 0.000 1.203 554 A CA 1.991 54.034 52.037 0.010 0.000 0.621 554 A CB -1.376 17.659 19.000 0.058 0.000 0.841 554 A HN 0.416 nan 8.150 nan 0.000 0.446 555 L N -0.641 120.536 121.223 -0.077 0.000 2.085 555 L HA -0.303 4.038 4.340 0.001 0.000 0.218 555 L C 2.565 179.325 176.870 -0.184 0.000 1.080 555 L CA 1.905 56.672 54.840 -0.121 0.000 0.776 555 L CB -0.665 41.346 42.059 -0.079 0.000 0.891 555 L HN 0.462 nan 8.230 nan 0.000 0.437 556 I N -2.204 118.249 120.570 -0.195 0.000 2.286 556 I HA -0.301 3.869 4.170 0.001 0.000 0.245 556 I C 2.500 178.422 176.117 -0.325 0.000 1.104 556 I CA 1.075 62.224 61.300 -0.252 0.000 1.397 556 I CB -0.368 37.490 38.000 -0.236 0.000 1.072 556 I HN 0.154 nan 8.210 nan 0.000 0.417 557 Y N 1.886 121.844 120.300 -0.571 0.000 2.114 557 Y HA -0.271 4.279 4.550 0.001 0.000 0.282 557 Y C 2.280 177.863 175.900 -0.527 0.000 1.165 557 Y CA 1.834 59.559 58.100 -0.624 0.000 1.148 557 Y CB -0.192 37.833 38.460 -0.725 0.000 0.972 557 Y HN 0.037 nan 8.280 nan 0.000 0.504 558 L N -0.455 120.557 121.223 -0.351 0.000 2.313 558 L HA 0.037 4.378 4.340 0.001 0.000 0.214 558 L C 1.679 178.368 176.870 -0.302 0.000 1.119 558 L CA 0.422 55.024 54.840 -0.396 0.000 0.809 558 L CB -0.668 41.163 42.059 -0.380 0.000 0.933 558 L HN 0.200 nan 8.230 nan 0.000 0.449 559 A N 1.282 123.939 122.820 -0.271 0.000 3.046 559 A HA 0.204 4.524 4.320 0.001 0.000 0.259 559 A C 0.626 178.086 177.584 -0.205 0.000 1.843 559 A CA -0.155 51.753 52.037 -0.216 0.000 1.451 559 A CB -1.295 17.573 19.000 -0.222 0.000 1.025 559 A HN 0.348 nan 8.150 nan 0.000 0.625 560 T N -1.524 112.908 114.554 -0.203 0.000 2.845 560 T HA 0.499 4.850 4.350 0.001 0.000 0.288 560 T C 1.056 175.694 174.700 -0.102 0.000 0.980 560 T CA 0.078 62.068 62.100 -0.185 0.000 1.071 560 T CB 1.447 70.186 68.868 -0.216 0.000 0.941 560 T HN 1.681 nan 8.240 nan 0.000 0.487 561 G N 1.675 110.425 108.800 -0.083 0.000 2.441 561 G HA2 0.052 4.013 3.960 0.001 0.000 0.298 561 G HA3 0.052 4.013 3.960 0.001 0.000 0.298 561 G C 1.254 176.178 174.900 0.039 0.000 0.949 561 G CA 0.365 45.450 45.100 -0.025 0.000 1.072 561 G HN 2.302 nan 8.290 nan 0.000 0.512 562 G N -1.958 106.871 108.800 0.049 0.000 2.186 562 G HA2 -0.330 3.631 3.960 0.001 0.000 0.266 562 G HA3 -0.330 3.631 3.960 0.001 0.000 0.266 562 G C 0.634 175.630 174.900 0.160 0.000 0.982 562 G CA 1.160 46.340 45.100 0.133 0.000 0.670 562 G HN 0.958 nan 8.290 nan 0.000 0.533 563 Q N 0.794 120.643 119.800 0.081 0.000 2.492 563 Q HA 0.352 4.692 4.340 0.001 0.000 0.238 563 Q C 0.645 176.684 176.000 0.064 0.000 1.045 563 Q CA 0.242 56.093 55.803 0.079 0.000 0.934 563 Q CB 0.399 29.145 28.738 0.014 0.000 1.276 563 Q HN 0.596 nan 8.270 nan 0.000 0.521 564 D N -0.028 120.422 120.400 0.084 0.000 2.414 564 D HA 0.419 5.059 4.640 0.001 0.000 0.259 564 D C -0.220 176.077 176.300 -0.004 0.000 1.269 564 D CA -0.159 53.871 54.000 0.050 0.000 1.028 564 D CB 0.644 41.500 40.800 0.092 0.000 1.093 564 D HN 0.288 nan 8.370 nan 0.000 0.545 565 I N 0.265 120.825 120.570 -0.017 0.000 2.529 565 I HA 0.204 4.375 4.170 0.001 0.000 0.284 565 I C -0.631 175.483 176.117 -0.005 0.000 1.088 565 I CA -0.714 60.565 61.300 -0.034 0.000 1.062 565 I CB 1.654 39.605 38.000 -0.080 0.000 1.218 565 I HN 0.180 nan 8.210 nan 0.000 0.442 566 R N 5.788 126.303 120.500 0.026 0.000 2.340 566 R HA 0.384 4.724 4.340 0.001 0.000 0.300 566 R C -0.636 175.703 176.300 0.065 0.000 1.069 566 R CA -0.708 55.419 56.100 0.043 0.000 0.984 566 R CB 1.081 31.416 30.300 0.059 0.000 1.003 566 R HN 0.546 nan 8.270 nan 0.000 0.459 567 L N 4.140 125.389 121.223 0.043 0.000 2.559 567 L HA 0.041 4.382 4.340 0.001 0.000 0.274 567 L C -0.837 176.082 176.870 0.081 0.000 1.205 567 L CA 1.227 56.097 54.840 0.050 0.000 0.907 567 L CB 0.459 42.532 42.059 0.024 0.000 1.153 567 L HN 0.711 nan 8.230 nan 0.000 0.490 568 D N 4.012 124.482 120.400 0.117 0.000 2.445 568 D HA 0.120 4.761 4.640 0.001 0.000 0.236 568 D C 0.895 177.237 176.300 0.070 0.000 1.315 568 D CA -0.382 53.682 54.000 0.106 0.000 0.924 568 D CB 0.329 41.240 40.800 0.186 0.000 1.447 568 D HN 0.563 nan 8.370 nan 0.000 0.532 569 L N 1.698 122.938 121.223 0.028 0.000 2.151 569 L HA -0.271 4.069 4.340 0.001 0.000 0.215 569 L C 2.287 179.156 176.870 -0.002 0.000 1.084 569 L CA 1.126 55.969 54.840 0.004 0.000 0.764 569 L CB -0.275 41.840 42.059 0.095 0.000 0.891 569 L HN 0.292 nan 8.230 nan 0.000 0.435 570 R N -0.578 119.889 120.500 -0.056 0.000 2.119 570 R HA -0.219 4.122 4.340 0.001 0.000 0.246 570 R C 1.988 178.206 176.300 -0.137 0.000 1.146 570 R CA 2.333 58.340 56.100 -0.156 0.000 0.962 570 R CB -0.469 29.611 30.300 -0.366 0.000 0.863 570 R HN 0.436 nan 8.270 nan 0.000 0.442 571 W N -0.290 120.988 121.300 -0.037 0.000 2.519 571 W HA -0.017 4.643 4.660 0.001 0.000 0.266 571 W C 1.603 178.078 176.519 -0.073 0.000 1.253 571 W CA 0.094 57.404 57.345 -0.059 0.000 1.274 571 W CB 0.002 29.429 29.460 -0.054 0.000 1.114 571 W HN 0.093 nan 8.180 nan 0.000 0.596 572 L N 0.088 121.329 121.223 0.029 0.000 2.072 572 L HA -0.149 4.191 4.340 0.001 0.000 0.205 572 L C 2.282 179.173 176.870 0.035 0.000 1.079 572 L CA 1.318 56.003 54.840 -0.257 0.000 0.752 572 L CB -0.700 40.653 42.059 -1.177 0.000 0.906 572 L HN 0.058 nan 8.230 nan 0.000 0.436 573 E N -0.209 120.119 120.200 0.213 0.000 2.031 573 E HA -0.289 4.061 4.350 0.001 0.000 0.193 573 E C 2.174 178.946 176.600 0.286 0.000 0.994 573 E CA 1.193 57.808 56.400 0.358 0.000 0.800 573 E CB -0.254 29.596 29.700 0.250 0.000 0.752 573 E HN 0.331 nan 8.360 nan 0.000 0.447 574 M N 1.486 121.223 119.600 0.228 0.000 2.113 574 M HA -0.275 4.205 4.480 0.001 0.000 0.255 574 M C 2.269 178.819 176.300 0.416 0.000 1.073 574 M CA 2.255 57.718 55.300 0.272 0.000 1.091 574 M CB -0.667 32.091 32.600 0.263 0.000 1.309 574 M HN 0.125 nan 8.290 nan 0.000 0.407 575 A N 0.179 123.240 122.820 0.401 0.000 1.841 575 A HA -0.229 4.091 4.320 0.001 0.000 0.214 575 A C 2.263 180.075 177.584 0.380 0.000 1.195 575 A CA 2.125 54.444 52.037 0.470 0.000 0.611 575 A CB -0.919 18.341 19.000 0.434 0.000 0.835 575 A HN 0.663 nan 8.150 nan 0.000 0.443 576 R N -0.178 120.517 120.500 0.325 0.000 2.112 576 R HA -0.247 4.094 4.340 0.001 0.000 0.242 576 R C 1.799 178.239 176.300 0.234 0.000 1.137 576 R CA 2.252 58.502 56.100 0.250 0.000 0.944 576 R CB -0.506 29.956 30.300 0.271 0.000 0.857 576 R HN 0.521 nan 8.270 nan 0.000 0.435 577 N N -0.016 118.869 118.700 0.307 0.000 2.149 577 N HA -0.199 4.541 4.740 0.001 0.000 0.188 577 N C 1.384 177.131 175.510 0.394 0.000 1.019 577 N CA 1.369 54.629 53.050 0.350 0.000 0.857 577 N CB -0.503 38.247 38.487 0.438 0.000 0.997 577 N HN 0.272 nan 8.380 nan 0.000 0.426 578 F N 1.303 121.427 119.950 0.289 0.000 2.259 578 F HA 0.157 4.685 4.527 0.001 0.000 0.298 578 F C 2.033 177.780 175.800 -0.087 0.000 1.088 578 F CA 0.623 58.692 58.000 0.114 0.000 1.358 578 F CB -0.544 38.542 39.000 0.144 0.000 1.040 578 F HN 0.012 nan 8.300 nan 0.000 0.505 579 A N 0.543 123.296 122.820 -0.113 0.000 1.845 579 A HA -0.268 4.052 4.320 0.001 0.000 0.215 579 A C 2.266 179.825 177.584 -0.043 0.000 1.195 579 A CA 1.895 53.842 52.037 -0.149 0.000 0.616 579 A CB -1.484 17.580 19.000 0.107 0.000 0.832 579 A HN 0.556 nan 8.150 nan 0.000 0.443 580 N N -0.873 117.881 118.700 0.089 0.000 2.137 580 N HA -0.274 4.466 4.740 0.001 0.000 0.190 580 N C 1.860 177.383 175.510 0.022 0.000 1.017 580 N CA 1.806 54.943 53.050 0.146 0.000 0.859 580 N CB -0.090 38.474 38.487 0.128 0.000 1.002 580 N HN 0.415 nan 8.380 nan 0.000 0.428 581 K N 1.025 121.292 120.400 -0.223 0.000 2.025 581 K HA -0.110 4.210 4.320 0.001 0.000 0.207 581 K C 1.985 178.350 176.600 -0.392 0.000 1.049 581 K CA 0.768 56.763 56.287 -0.487 0.000 0.933 581 K CB -0.578 31.159 32.500 -1.272 0.000 0.714 581 K HN 0.160 nan 8.250 nan 0.000 0.438 582 L N 0.276 121.237 121.223 -0.437 0.000 2.012 582 L HA -0.159 4.181 4.340 0.001 0.000 0.210 582 L C 2.126 178.898 176.870 -0.164 0.000 1.073 582 L CA 1.954 56.590 54.840 -0.339 0.000 0.748 582 L CB -1.070 40.684 42.059 -0.508 0.000 0.891 582 L HN 0.399 nan 8.230 nan 0.000 0.431 583 Y N 0.946 121.099 120.300 -0.246 0.000 2.053 583 Y HA -0.341 4.209 4.550 0.001 0.000 0.277 583 Y C 2.520 178.348 175.900 -0.120 0.000 1.159 583 Y CA 2.351 60.329 58.100 -0.204 0.000 1.125 583 Y CB -0.821 37.527 38.460 -0.188 0.000 0.969 583 Y HN 0.375 nan 8.280 nan 0.000 0.492 584 N N 0.627 119.192 118.700 -0.226 0.000 2.094 584 N HA -0.258 4.483 4.740 0.001 0.000 0.191 584 N C 2.007 177.391 175.510 -0.210 0.000 1.023 584 N CA 1.704 54.582 53.050 -0.287 0.000 0.857 584 N CB -0.814 37.605 38.487 -0.114 0.000 1.013 584 N HN 0.582 nan 8.380 nan 0.000 0.426 585 A N 0.968 123.700 122.820 -0.147 0.000 1.948 585 A HA -0.077 4.244 4.320 0.001 0.000 0.220 585 A C 2.399 180.005 177.584 0.037 0.000 1.177 585 A CA 2.155 54.174 52.037 -0.030 0.000 0.636 585 A CB -0.716 18.325 19.000 0.068 0.000 0.815 585 A HN 0.378 nan 8.150 nan 0.000 0.449 586 A N -0.603 122.173 122.820 -0.073 0.000 1.897 586 A HA -0.079 4.242 4.320 0.001 0.000 0.215 586 A C 2.206 179.695 177.584 -0.158 0.000 1.181 586 A CA 1.540 53.527 52.037 -0.083 0.000 0.620 586 A CB -0.488 18.440 19.000 -0.119 0.000 0.821 586 A HN 0.541 nan 8.150 nan 0.000 0.443 587 R N -1.488 118.815 120.500 -0.328 0.000 2.117 587 R HA -0.207 4.133 4.340 0.001 0.000 0.243 587 R C 1.891 178.102 176.300 -0.149 0.000 1.143 587 R CA 2.028 57.938 56.100 -0.317 0.000 0.968 587 R CB -0.490 29.518 30.300 -0.487 0.000 0.863 587 R HN 0.515 nan 8.270 nan 0.000 0.444 588 F N 0.490 120.317 119.950 -0.205 0.000 2.051 588 F HA -0.195 4.332 4.527 0.001 0.000 0.296 588 F C 1.951 177.669 175.800 -0.136 0.000 1.122 588 F CA 1.711 59.617 58.000 -0.157 0.000 1.201 588 F CB -0.662 38.239 39.000 -0.166 0.000 0.978 588 F HN -0.189 nan 8.300 nan 0.000 0.472 589 V N 1.139 120.935 119.914 -0.197 0.000 2.392 589 V HA -0.324 3.796 4.120 0.001 0.000 0.249 589 V C 2.519 178.448 176.094 -0.276 0.000 1.059 589 V CA 2.030 64.168 62.300 -0.271 0.000 1.051 589 V CB -0.821 30.979 31.823 -0.038 0.000 0.658 589 V HN 0.420 nan 8.190 nan 0.000 0.455 590 L N -0.923 120.178 121.223 -0.204 0.000 2.005 590 L HA -0.141 4.199 4.340 0.001 0.000 0.207 590 L C 2.358 179.116 176.870 -0.187 0.000 1.072 590 L CA 1.499 56.239 54.840 -0.166 0.000 0.744 590 L CB -0.535 41.450 42.059 -0.124 0.000 0.895 590 L HN 0.275 nan 8.230 nan 0.000 0.433 591 L N -1.001 120.094 121.223 -0.214 0.000 2.265 591 L HA -0.151 4.189 4.340 0.001 0.000 0.215 591 L C 2.566 179.284 176.870 -0.253 0.000 1.117 591 L CA 0.546 55.270 54.840 -0.194 0.000 0.782 591 L CB -0.332 41.628 42.059 -0.165 0.000 0.914 591 L HN 0.211 nan 8.230 nan 0.000 0.441 592 S N -0.157 115.295 115.700 -0.413 0.000 2.336 592 S HA -0.083 4.387 4.470 0.001 0.000 0.216 592 S C 1.920 176.378 174.600 -0.238 0.000 1.032 592 S CA 0.626 58.567 58.200 -0.432 0.000 0.973 592 S CB -0.159 62.584 63.200 -0.762 0.000 0.888 592 S HN 0.396 nan 8.310 nan 0.000 0.455 593 R N 2.070 122.416 120.500 -0.255 0.000 2.366 593 R HA 0.024 4.364 4.340 0.001 0.000 0.201 593 R C 1.020 177.282 176.300 -0.063 0.000 1.057 593 R CA 0.623 56.617 56.100 -0.177 0.000 1.086 593 R CB -0.541 29.641 30.300 -0.198 0.000 0.914 593 R HN 0.323 nan 8.270 nan 0.000 0.476 594 E N 1.122 121.280 120.200 -0.069 0.000 1.928 594 E HA -0.117 4.234 4.350 0.001 0.000 0.215 594 E C 1.070 177.675 176.600 0.010 0.000 0.926 594 E CA 2.222 58.599 56.400 -0.039 0.000 0.951 594 E CB -0.814 28.854 29.700 -0.053 0.000 0.826 594 E HN 0.369 nan 8.360 nan 0.000 0.587 595 G N -0.667 108.144 108.800 0.018 0.000 3.591 595 G HA2 0.082 4.043 3.960 0.001 0.000 0.282 595 G HA3 0.082 4.043 3.960 0.001 0.000 0.282 595 G C -0.257 174.674 174.900 0.052 0.000 1.238 595 G CA -0.495 44.618 45.100 0.023 0.000 0.993 595 G HN 0.253 nan 8.290 nan 0.000 0.542 596 F N 1.360 121.269 119.950 -0.068 0.000 2.637 596 F HA 0.050 4.577 4.527 0.001 0.000 0.372 596 F C 0.348 176.122 175.800 -0.044 0.000 1.107 596 F CA 0.397 58.359 58.000 -0.063 0.000 1.325 596 F CB 0.819 39.778 39.000 -0.069 0.000 1.016 596 F HN 0.122 nan 8.300 nan 0.000 0.593 597 Q N 5.866 125.129 119.800 -0.895 0.000 2.394 597 Q HA 0.419 4.760 4.340 0.001 0.000 0.261 597 Q C -0.514 174.904 176.000 -0.970 0.000 1.023 597 Q CA -0.668 54.743 55.803 -0.653 0.000 0.720 597 Q CB 1.443 29.955 28.738 -0.377 0.000 1.241 597 Q HN 0.790 nan 8.270 nan 0.000 0.483 598 A N 2.367 124.797 122.820 -0.650 0.000 2.515 598 A HA 0.135 4.456 4.320 0.001 0.000 0.263 598 A C 0.761 178.232 177.584 -0.187 0.000 1.096 598 A CA 0.191 52.036 52.037 -0.321 0.000 0.769 598 A CB 0.259 19.296 19.000 0.060 0.000 1.040 598 A HN 0.457 nan 8.150 nan 0.000 0.505 599 K N 0.535 120.851 120.400 -0.140 0.000 2.367 599 K HA 0.156 4.476 4.320 0.001 0.000 0.195 599 K C 0.364 176.960 176.600 -0.007 0.000 1.060 599 K CA 1.205 57.447 56.287 -0.074 0.000 1.022 599 K CB 0.439 32.891 32.500 -0.080 0.000 0.894 599 K HN 0.951 nan 8.250 nan 0.000 0.540 600 E N -1.759 118.464 120.200 0.039 0.000 2.432 600 E HA 0.222 4.572 4.350 0.001 0.000 0.279 600 E C -1.563 175.105 176.600 0.113 0.000 1.099 600 E CA -0.843 55.595 56.400 0.063 0.000 0.859 600 E CB 0.956 30.688 29.700 0.053 0.000 1.402 600 E HN -0.177 nan 8.360 nan 0.000 0.451 601 D N 0.930 121.393 120.400 0.104 0.000 2.472 601 D HA 0.251 4.891 4.640 0.001 0.000 0.248 601 D C -1.440 174.919 176.300 0.098 0.000 1.271 601 D CA -0.067 54.020 54.000 0.146 0.000 0.888 601 D CB 1.332 42.216 40.800 0.141 0.000 1.337 601 D HN 0.438 nan 8.370 nan 0.000 0.526 602 T N 2.337 116.923 114.554 0.053 0.000 2.824 602 T HA 0.491 4.841 4.350 0.001 0.000 0.282 602 T C -2.629 171.899 174.700 -0.286 0.000 0.993 602 T CA -1.455 60.605 62.100 -0.065 0.000 0.967 602 T CB 2.186 71.043 68.868 -0.018 0.000 0.960 602 T HN 0.080 nan 8.240 nan 0.000 0.441 603 P HA 0.209 nan 4.420 nan 0.000 0.268 603 P C -0.121 177.023 177.300 -0.259 0.000 1.204 603 P CA -0.148 62.477 63.100 -0.792 0.000 0.768 603 P CB 0.366 31.804 31.700 -0.437 0.000 0.842 604 T N 0.816 115.306 114.554 -0.106 0.000 2.912 604 T HA 0.299 4.649 4.350 0.001 0.000 0.288 604 T C 0.951 175.725 174.700 0.123 0.000 1.030 604 T CA -0.879 61.260 62.100 0.064 0.000 1.020 604 T CB 0.742 69.702 68.868 0.154 0.000 1.056 604 T HN 0.222 nan 8.240 nan 0.000 0.480 605 L N 2.479 123.792 121.223 0.150 0.000 2.013 605 L HA -0.016 4.325 4.340 0.001 0.000 0.212 605 L C 2.904 179.905 176.870 0.218 0.000 1.073 605 L CA 2.199 57.151 54.840 0.187 0.000 0.753 605 L CB -0.947 41.243 42.059 0.219 0.000 0.890 605 L HN 0.989 nan 8.230 nan 0.000 0.432 606 A N -0.286 122.703 122.820 0.281 0.000 1.892 606 A HA -0.286 4.034 4.320 0.001 0.000 0.218 606 A C 1.816 179.477 177.584 0.128 0.000 1.188 606 A CA 2.161 54.345 52.037 0.244 0.000 0.631 606 A CB -0.764 18.543 19.000 0.512 0.000 0.822 606 A HN 0.525 nan 8.150 nan 0.000 0.447 607 D N -0.482 120.061 120.400 0.238 0.000 2.095 607 D HA -0.154 4.487 4.640 0.001 0.000 0.192 607 D C 2.139 178.438 176.300 -0.003 0.000 0.990 607 D CA 1.424 55.514 54.000 0.150 0.000 0.836 607 D CB -0.518 40.501 40.800 0.365 0.000 0.979 607 D HN 0.408 nan 8.370 nan 0.000 0.447 608 R N -0.393 120.158 120.500 0.085 0.000 2.153 608 R HA -0.197 4.143 4.340 0.001 0.000 0.252 608 R C 2.348 178.639 176.300 -0.015 0.000 1.158 608 R CA 1.042 57.170 56.100 0.048 0.000 0.975 608 R CB -0.563 29.785 30.300 0.080 0.000 0.871 608 R HN 0.245 nan 8.270 nan 0.000 0.450 609 F N 0.922 120.754 119.950 -0.196 0.000 2.084 609 F HA -0.166 4.362 4.527 0.001 0.000 0.296 609 F C 2.373 177.968 175.800 -0.342 0.000 1.111 609 F CA 1.503 59.327 58.000 -0.295 0.000 1.224 609 F CB -0.261 38.397 39.000 -0.571 0.000 0.991 609 F HN -0.149 nan 8.300 nan 0.000 0.471 610 M N 0.617 119.845 119.600 -0.621 0.000 2.229 610 M HA -0.078 4.402 4.480 0.001 0.000 0.264 610 M C 2.186 178.210 176.300 -0.460 0.000 1.063 610 M CA 1.500 56.381 55.300 -0.698 0.000 1.114 610 M CB -0.477 31.528 32.600 -0.992 0.000 1.387 610 M HN 0.033 nan 8.290 nan 0.000 0.420 611 R N -1.305 118.991 120.500 -0.340 0.000 2.096 611 R HA -0.115 4.225 4.340 0.001 0.000 0.235 611 R C 2.466 178.642 176.300 -0.207 0.000 1.127 611 R CA 1.639 57.615 56.100 -0.208 0.000 0.968 611 R CB -0.616 29.611 30.300 -0.121 0.000 0.861 611 R HN 0.481 nan 8.270 nan 0.000 0.440 612 S N 0.341 115.892 115.700 -0.249 0.000 2.345 612 S HA -0.079 4.391 4.470 0.001 0.000 0.219 612 S C 1.959 176.402 174.600 -0.262 0.000 1.031 612 S CA 0.760 58.832 58.200 -0.213 0.000 0.984 612 S CB 0.000 63.091 63.200 -0.182 0.000 0.874 612 S HN 0.134 nan 8.310 nan 0.000 0.451 613 R N 0.697 120.925 120.500 -0.453 0.000 2.249 613 R HA 0.016 4.356 4.340 0.001 0.000 0.230 613 R C 1.975 178.140 176.300 -0.224 0.000 1.121 613 R CA 0.537 56.401 56.100 -0.392 0.000 0.997 613 R CB -1.070 28.835 30.300 -0.659 0.000 0.867 613 R HN 0.458 nan 8.270 nan 0.000 0.465 614 L N -0.242 120.851 121.223 -0.216 0.000 2.127 614 L HA 0.045 4.386 4.340 0.001 0.000 0.203 614 L C 2.193 178.999 176.870 -0.107 0.000 1.080 614 L CA 1.589 56.342 54.840 -0.146 0.000 0.768 614 L CB -0.854 41.109 42.059 -0.159 0.000 0.924 614 L HN -0.026 nan 8.230 nan 0.000 0.444 615 S N -0.823 114.813 115.700 -0.107 0.000 2.400 615 S HA -0.237 4.233 4.470 0.001 0.000 0.232 615 S C 2.232 176.806 174.600 -0.043 0.000 1.025 615 S CA 1.330 59.488 58.200 -0.069 0.000 0.993 615 S CB -0.246 62.916 63.200 -0.063 0.000 0.808 615 S HN 0.416 nan 8.310 nan 0.000 0.478 616 R N 0.804 121.271 120.500 -0.054 0.000 2.070 616 R HA 0.045 4.385 4.340 0.001 0.000 0.232 616 R C 2.472 178.772 176.300 0.001 0.000 1.138 616 R CA 1.912 57.998 56.100 -0.024 0.000 0.936 616 R CB -1.461 28.817 30.300 -0.037 0.000 0.839 616 R HN 0.440 nan 8.270 nan 0.000 0.429 617 G N -0.400 108.395 108.800 -0.008 0.000 2.514 617 G HA2 -0.275 3.686 3.960 0.001 0.000 0.217 617 G HA3 -0.275 3.686 3.960 0.001 0.000 0.217 617 G C 1.527 176.453 174.900 0.042 0.000 1.198 617 G CA 1.262 46.377 45.100 0.025 0.000 0.780 617 G HN 0.253 nan 8.290 nan 0.000 0.565 618 V N 0.913 120.828 119.914 0.002 0.000 2.282 618 V HA -0.257 3.864 4.120 0.001 0.000 0.249 618 V C 2.601 178.752 176.094 0.094 0.000 1.057 618 V CA 2.601 64.908 62.300 0.012 0.000 1.032 618 V CB -0.493 31.294 31.823 -0.059 0.000 0.645 618 V HN 0.675 nan 8.190 nan 0.000 0.447 619 E N 0.130 120.371 120.200 0.068 0.000 2.000 619 E HA -0.281 4.069 4.350 0.001 0.000 0.199 619 E C 2.186 178.853 176.600 0.110 0.000 1.011 619 E CA 1.913 58.365 56.400 0.088 0.000 0.836 619 E CB -0.265 29.466 29.700 0.053 0.000 0.778 619 E HN 0.697 nan 8.360 nan 0.000 0.462 620 E N 0.287 120.538 120.200 0.085 0.000 2.086 620 E HA -0.256 4.095 4.350 0.001 0.000 0.205 620 E C 2.273 178.944 176.600 0.118 0.000 1.027 620 E CA 1.890 58.340 56.400 0.084 0.000 0.830 620 E CB -0.328 29.412 29.700 0.067 0.000 0.751 620 E HN 0.451 nan 8.360 nan 0.000 0.456 621 I N 0.831 121.502 120.570 0.170 0.000 2.286 621 I HA -0.237 3.933 4.170 0.001 0.000 0.248 621 I C 2.438 178.777 176.117 0.370 0.000 1.115 621 I CA 1.127 62.584 61.300 0.263 0.000 1.392 621 I CB -0.518 37.683 38.000 0.335 0.000 1.065 621 I HN 0.134 nan 8.210 nan 0.000 0.418 622 T N 1.047 115.824 114.554 0.372 0.000 2.674 622 T HA -0.181 4.169 4.350 0.001 0.000 0.265 622 T C 2.134 176.944 174.700 0.183 0.000 1.039 622 T CA 1.574 63.893 62.100 0.366 0.000 1.150 622 T CB -0.409 68.717 68.868 0.429 0.000 0.864 622 T HN 0.481 nan 8.240 nan 0.000 0.427 623 A N 1.378 124.284 122.820 0.143 0.000 1.948 623 A HA -0.060 4.260 4.320 0.001 0.000 0.220 623 A C 2.316 179.912 177.584 0.020 0.000 1.177 623 A CA 1.316 53.397 52.037 0.073 0.000 0.636 623 A CB -0.919 18.118 19.000 0.062 0.000 0.815 623 A HN 0.502 nan 8.150 nan 0.000 0.449 624 L N -2.607 118.625 121.223 0.014 0.000 2.141 624 L HA -0.176 4.165 4.340 0.001 0.000 0.209 624 L C 2.530 179.283 176.870 -0.196 0.000 1.094 624 L CA 1.338 56.125 54.840 -0.087 0.000 0.763 624 L CB -0.657 41.338 42.059 -0.106 0.000 0.908 624 L HN 0.458 nan 8.230 nan 0.000 0.437 625 Y N 0.311 120.435 120.300 -0.294 0.000 2.220 625 Y HA -0.125 4.426 4.550 0.001 0.000 0.291 625 Y C 2.179 177.822 175.900 -0.428 0.000 1.129 625 Y CA 0.837 58.598 58.100 -0.564 0.000 1.161 625 Y CB 0.118 37.836 38.460 -1.236 0.000 0.997 625 Y HN 0.061 nan 8.280 nan 0.000 0.522 626 E N -0.006 120.137 120.200 -0.096 0.000 2.352 626 E HA 0.107 4.458 4.350 0.001 0.000 0.197 626 E C 0.516 177.091 176.600 -0.042 0.000 1.224 626 E CA 0.518 56.899 56.400 -0.031 0.000 1.118 626 E CB -0.208 29.516 29.700 0.039 0.000 1.198 626 E HN 0.428 nan 8.360 nan 0.000 0.454 627 A N -0.392 122.375 122.820 -0.088 0.000 2.574 627 A HA 0.189 4.510 4.320 0.001 0.000 0.246 627 A C 0.859 178.375 177.584 -0.114 0.000 1.025 627 A CA -0.369 51.622 52.037 -0.077 0.000 1.043 627 A CB 0.003 18.963 19.000 -0.067 0.000 1.177 627 A HN 0.271 nan 8.150 nan 0.000 0.526 628 L N 0.000 121.129 121.223 -0.157 0.000 4.137 628 L HA -0.215 4.125 4.340 0.001 0.000 0.421 628 L C -0.031 176.706 176.870 -0.221 0.000 1.162 628 L CA 1.084 55.811 54.840 -0.188 0.000 0.978 628 L CB -1.134 40.850 42.059 -0.124 0.000 1.957 628 L HN 0.508 nan 8.230 nan 0.000 0.978 629 D N 0.517 120.766 120.400 -0.251 0.000 2.767 629 D HA 0.310 4.950 4.640 0.001 0.000 0.241 629 D C 1.272 177.357 176.300 -0.358 0.000 1.187 629 D CA -0.191 53.658 54.000 -0.251 0.000 0.999 629 D CB 0.267 40.955 40.800 -0.187 0.000 1.042 629 D HN 0.273 nan 8.370 nan 0.000 0.510 630 L N 0.821 121.789 121.223 -0.424 0.000 2.017 630 L HA -0.157 4.183 4.340 0.001 0.000 0.208 630 L C 2.517 179.149 176.870 -0.397 0.000 1.073 630 L CA 1.220 55.746 54.840 -0.523 0.000 0.745 630 L CB -0.691 41.090 42.059 -0.463 0.000 0.894 630 L HN 0.253 nan 8.230 nan 0.000 0.432 631 A N -0.181 122.429 122.820 -0.349 0.000 1.971 631 A HA -0.335 3.985 4.320 0.001 0.000 0.222 631 A C 2.239 179.577 177.584 -0.411 0.000 1.182 631 A CA 2.409 54.214 52.037 -0.387 0.000 0.649 631 A CB -0.552 18.234 19.000 -0.356 0.000 0.818 631 A HN 0.452 nan 8.150 nan 0.000 0.458 632 Q N -0.768 118.840 119.800 -0.320 0.000 2.033 632 Q HA 0.166 4.507 4.340 0.001 0.000 0.196 632 Q C 2.184 178.072 176.000 -0.186 0.000 0.970 632 Q CA 1.955 57.604 55.803 -0.257 0.000 0.828 632 Q CB -0.732 27.891 28.738 -0.192 0.000 0.895 632 Q HN 0.522 nan 8.270 nan 0.000 0.440 633 A N 0.782 123.483 122.820 -0.199 0.000 1.917 633 A HA -0.200 4.120 4.320 0.001 0.000 0.219 633 A C 2.314 179.910 177.584 0.020 0.000 1.182 633 A CA 2.352 54.330 52.037 -0.099 0.000 0.633 633 A CB -1.374 17.463 19.000 -0.273 0.000 0.819 633 A HN 0.530 nan 8.150 nan 0.000 0.448 634 A N 0.512 123.294 122.820 -0.064 0.000 1.958 634 A HA -0.253 4.067 4.320 0.001 0.000 0.221 634 A C 2.219 179.985 177.584 0.303 0.000 1.178 634 A CA 2.047 54.124 52.037 0.067 0.000 0.642 634 A CB -0.535 18.272 19.000 -0.322 0.000 0.816 634 A HN 0.777 nan 8.150 nan 0.000 0.453 635 R N -1.829 118.721 120.500 0.084 0.000 2.223 635 R HA 0.157 4.497 4.340 0.001 0.000 0.198 635 R C 1.323 177.743 176.300 0.201 0.000 0.984 635 R CA 0.679 56.899 56.100 0.199 0.000 1.018 635 R CB -0.246 30.012 30.300 -0.070 0.000 0.945 635 R HN 0.311 nan 8.270 nan 0.000 0.479 636 E N 1.274 121.552 120.200 0.130 0.000 2.204 636 E HA -0.089 4.262 4.350 0.001 0.000 0.194 636 E C 1.882 178.612 176.600 0.216 0.000 0.989 636 E CA 0.882 57.367 56.400 0.143 0.000 0.824 636 E CB 0.132 29.887 29.700 0.092 0.000 0.756 636 E HN 0.183 nan 8.360 nan 0.000 0.477 637 V N 0.033 120.116 119.914 0.282 0.000 2.649 637 V HA -0.164 3.957 4.120 0.001 0.000 0.248 637 V C 2.011 178.332 176.094 0.377 0.000 1.054 637 V CA 1.000 63.495 62.300 0.325 0.000 1.073 637 V CB -0.326 31.729 31.823 0.386 0.000 0.699 637 V HN 0.240 nan 8.190 nan 0.000 0.463 638 Y N 1.326 121.738 120.300 0.187 0.000 2.128 638 Y HA -0.277 4.274 4.550 0.001 0.000 0.284 638 Y C 2.495 178.482 175.900 0.144 0.000 1.154 638 Y CA 2.570 60.593 58.100 -0.128 0.000 1.149 638 Y CB -0.055 38.304 38.460 -0.169 0.000 0.976 638 Y HN 0.448 nan 8.280 nan 0.000 0.505 639 E N 0.655 121.126 120.200 0.452 0.000 2.013 639 E HA -0.276 4.075 4.350 0.001 0.000 0.202 639 E C 2.081 178.881 176.600 0.333 0.000 1.018 639 E CA 1.752 58.374 56.400 0.371 0.000 0.834 639 E CB -1.015 28.844 29.700 0.265 0.000 0.770 639 E HN 0.438 nan 8.360 nan 0.000 0.459 640 L N -0.011 121.377 121.223 0.274 0.000 1.997 640 L HA -0.250 4.090 4.340 0.001 0.000 0.227 640 L C 2.508 179.551 176.870 0.288 0.000 1.087 640 L CA 2.218 57.199 54.840 0.236 0.000 0.797 640 L CB -1.073 41.086 42.059 0.166 0.000 0.902 640 L HN 0.219 nan 8.230 nan 0.000 0.441 641 V N -1.427 118.662 119.914 0.291 0.000 2.233 641 V HA -0.328 3.792 4.120 0.001 0.000 0.247 641 V C 2.139 178.466 176.094 0.389 0.000 1.050 641 V CA 2.315 64.802 62.300 0.312 0.000 1.010 641 V CB -0.935 31.079 31.823 0.319 0.000 0.637 641 V HN 0.701 nan 8.190 nan 0.000 0.444 642 W N 0.500 121.919 121.300 0.199 0.000 2.418 642 W HA -0.046 4.615 4.660 0.001 0.000 0.292 642 W C 2.468 179.095 176.519 0.181 0.000 1.213 642 W CA 1.795 59.220 57.345 0.133 0.000 1.283 642 W CB -0.259 29.167 29.460 -0.057 0.000 1.119 642 W HN 0.305 nan 8.180 nan 0.000 0.542 643 S N -0.534 115.483 115.700 0.528 0.000 2.502 643 S HA 0.005 4.476 4.470 0.001 0.000 0.215 643 S C 1.273 176.195 174.600 0.536 0.000 1.009 643 S CA 0.327 58.809 58.200 0.469 0.000 0.908 643 S CB 0.453 63.883 63.200 0.385 0.000 0.801 643 S HN 0.131 nan 8.310 nan 0.000 0.505 644 E N -0.423 120.073 120.200 0.493 0.000 2.399 644 E HA 0.258 4.609 4.350 0.001 0.000 0.205 644 E C 1.020 177.962 176.600 0.570 0.000 0.906 644 E CA 0.213 56.930 56.400 0.528 0.000 0.998 644 E CB 0.026 29.941 29.700 0.357 0.000 1.002 644 E HN 0.445 nan 8.360 nan 0.000 0.501 645 F N 0.739 120.877 119.950 0.312 0.000 2.298 645 F HA 0.010 4.537 4.527 0.001 0.000 0.282 645 F C 2.123 178.050 175.800 0.213 0.000 1.045 645 F CA 0.681 58.852 58.000 0.285 0.000 1.280 645 F CB -0.352 38.763 39.000 0.190 0.000 1.114 645 F HN -0.056 nan 8.300 nan 0.000 0.546 646 C N 0.480 119.871 119.300 0.151 0.000 2.543 646 C HA -0.082 4.379 4.460 0.001 0.000 0.281 646 C C 2.388 177.345 174.990 -0.055 0.000 1.276 646 C CA 1.000 59.970 59.018 -0.080 0.000 1.700 646 C CB -1.000 26.679 27.740 -0.101 0.000 2.093 646 C HN 0.435 nan 8.230 nan 0.000 0.488 647 D N -0.731 119.717 120.400 0.079 0.000 2.123 647 D HA -0.137 4.504 4.640 0.001 0.000 0.196 647 D C 1.739 177.830 176.300 -0.348 0.000 0.992 647 D CA 1.467 55.407 54.000 -0.100 0.000 0.833 647 D CB -0.116 40.693 40.800 0.015 0.000 0.954 647 D HN 0.700 nan 8.370 nan 0.000 0.455 648 W N -1.639 119.795 121.300 0.225 0.000 3.127 648 W HA 0.099 4.759 4.660 0.001 0.000 0.248 648 W C 1.969 178.683 176.519 0.325 0.000 1.058 648 W CA -0.508 57.020 57.345 0.305 0.000 1.783 648 W CB -0.703 29.027 29.460 0.450 0.000 1.030 648 W HN -0.168 nan 8.180 nan 0.000 0.653 649 Y N 1.245 121.751 120.300 0.344 0.000 2.070 649 Y HA -0.236 4.314 4.550 0.001 0.000 0.279 649 Y C 2.213 178.088 175.900 -0.042 0.000 1.134 649 Y CA 1.514 59.706 58.100 0.153 0.000 1.113 649 Y CB -1.082 37.448 38.460 0.116 0.000 0.981 649 Y HN -0.188 nan 8.280 nan 0.000 0.487 650 L N 0.721 121.646 121.223 -0.497 0.000 2.010 650 L HA -0.287 4.054 4.340 0.001 0.000 0.219 650 L C 2.481 179.088 176.870 -0.437 0.000 1.077 650 L CA 2.277 56.711 54.840 -0.677 0.000 0.773 650 L CB -1.045 40.557 42.059 -0.761 0.000 0.892 650 L HN 0.247 nan 8.230 nan 0.000 0.436 651 E N -0.748 119.311 120.200 -0.236 0.000 2.085 651 E HA -0.199 4.151 4.350 0.001 0.000 0.194 651 E C 2.230 178.926 176.600 0.159 0.000 0.994 651 E CA 1.391 57.777 56.400 -0.023 0.000 0.801 651 E CB -0.569 29.109 29.700 -0.037 0.000 0.743 651 E HN 0.534 nan 8.360 nan 0.000 0.453 652 A N 0.985 123.930 122.820 0.208 0.000 2.070 652 A HA -0.008 4.312 4.320 0.001 0.000 0.220 652 A C 2.221 179.914 177.584 0.182 0.000 1.159 652 A CA 1.699 53.936 52.037 0.332 0.000 0.656 652 A CB -0.250 19.096 19.000 0.577 0.000 0.800 652 A HN 0.238 nan 8.150 nan 0.000 0.453 653 A N -1.120 121.685 122.820 -0.024 0.000 2.169 653 A HA 0.233 4.553 4.320 0.001 0.000 0.210 653 A C 1.835 179.387 177.584 -0.053 0.000 1.168 653 A CA 1.144 53.134 52.037 -0.077 0.000 0.813 653 A CB -0.131 18.672 19.000 -0.328 0.000 0.861 653 A HN 0.336 nan 8.150 nan 0.000 0.481 654 K N 0.794 121.132 120.400 -0.103 0.000 2.034 654 K HA -0.144 4.176 4.320 0.001 0.000 0.214 654 K C -0.888 175.564 176.600 -0.246 0.000 1.051 654 K CA 2.475 58.653 56.287 -0.182 0.000 0.931 654 K CB -1.221 31.010 32.500 -0.448 0.000 0.715 654 K HN 0.353 nan 8.250 nan 0.000 0.446 655 P HA -0.188 nan 4.420 nan 0.000 0.210 655 P C 0.934 178.202 177.300 -0.053 0.000 1.189 655 P CA 2.079 65.055 63.100 -0.207 0.000 0.920 655 P CB -0.142 31.491 31.700 -0.112 0.000 0.782 656 A N -0.748 122.080 122.820 0.012 0.000 2.009 656 A HA -0.238 4.082 4.320 0.001 0.000 0.222 656 A C 2.222 179.866 177.584 0.100 0.000 1.175 656 A CA 1.854 53.932 52.037 0.068 0.000 0.651 656 A CB -1.838 17.223 19.000 0.101 0.000 0.815 656 A HN 0.144 nan 8.150 nan 0.000 0.459 657 L N -1.688 119.582 121.223 0.079 0.000 2.179 657 L HA -0.113 4.227 4.340 0.001 0.000 0.208 657 L C 2.492 179.461 176.870 0.166 0.000 1.096 657 L CA 1.419 56.355 54.840 0.160 0.000 0.779 657 L CB -0.355 41.748 42.059 0.072 0.000 0.922 657 L HN 0.353 nan 8.230 nan 0.000 0.443 658 K N 0.459 120.885 120.400 0.045 0.000 2.148 658 K HA -0.053 4.267 4.320 0.001 0.000 0.204 658 K C 1.858 178.459 176.600 0.003 0.000 1.050 658 K CA 1.195 57.484 56.287 0.004 0.000 0.942 658 K CB -0.157 32.312 32.500 -0.053 0.000 0.724 658 K HN 0.212 nan 8.250 nan 0.000 0.446 659 A N 0.838 123.671 122.820 0.022 0.000 2.252 659 A HA 0.178 4.498 4.320 0.001 0.000 0.207 659 A C 1.097 178.693 177.584 0.019 0.000 1.194 659 A CA 0.584 52.631 52.037 0.016 0.000 0.809 659 A CB -0.669 18.349 19.000 0.031 0.000 0.814 659 A HN 0.381 nan 8.150 nan 0.000 0.482 660 G N 0.181 109.004 108.800 0.037 0.000 2.338 660 G HA2 -0.276 3.684 3.960 0.001 0.000 0.296 660 G HA3 -0.276 3.684 3.960 0.001 0.000 0.296 660 G C -0.101 174.927 174.900 0.212 0.000 1.040 660 G CA 0.312 45.367 45.100 -0.075 0.000 1.004 660 G HN 0.603 nan 8.290 nan 0.000 0.509 661 N N 0.277 119.211 118.700 0.389 0.000 2.420 661 N HA 0.576 5.317 4.740 0.001 0.000 0.249 661 N C 1.325 177.078 175.510 0.405 0.000 1.033 661 N CA 0.351 53.595 53.050 0.324 0.000 0.944 661 N CB 1.056 39.663 38.487 0.200 0.000 1.113 661 N HN 0.399 nan 8.380 nan 0.000 0.502 662 A N 3.770 126.825 122.820 0.390 0.000 1.968 662 A HA -0.155 4.165 4.320 0.001 0.000 0.217 662 A C 1.932 179.576 177.584 0.099 0.000 1.169 662 A CA 0.929 53.103 52.037 0.228 0.000 0.638 662 A CB -0.766 18.400 19.000 0.278 0.000 0.812 662 A HN 0.885 nan 8.150 nan 0.000 0.446 663 H N 0.178 119.289 119.070 0.069 0.000 2.422 663 H HA -0.095 4.461 4.556 0.001 0.000 0.298 663 H C 1.814 177.174 175.328 0.054 0.000 1.098 663 H CA 2.018 58.098 56.048 0.054 0.000 1.315 663 H CB -0.106 29.697 29.762 0.068 0.000 1.382 663 H HN 0.408 nan 8.280 nan 0.000 0.523 664 T N 1.516 116.206 114.554 0.227 0.000 2.668 664 T HA -0.103 4.247 4.350 0.001 0.000 0.258 664 T C 2.175 176.883 174.700 0.013 0.000 1.051 664 T CA 0.915 63.122 62.100 0.178 0.000 1.155 664 T CB -0.551 68.406 68.868 0.149 0.000 0.864 664 T HN 0.197 nan 8.240 nan 0.000 0.413 665 L N 1.625 122.755 121.223 -0.155 0.000 2.137 665 L HA -0.128 4.212 4.340 0.001 0.000 0.213 665 L C 2.424 179.174 176.870 -0.200 0.000 1.085 665 L CA 1.760 56.412 54.840 -0.314 0.000 0.760 665 L CB -0.507 41.085 42.059 -0.778 0.000 0.893 665 L HN 0.101 nan 8.230 nan 0.000 0.434 666 R N -1.002 119.405 120.500 -0.155 0.000 2.082 666 R HA -0.157 4.183 4.340 0.001 0.000 0.228 666 R C 2.089 178.344 176.300 -0.076 0.000 1.140 666 R CA 2.281 58.304 56.100 -0.129 0.000 0.920 666 R CB -0.837 29.371 30.300 -0.153 0.000 0.828 666 R HN 0.415 nan 8.270 nan 0.000 0.430 667 T N 2.668 117.187 114.554 -0.059 0.000 2.680 667 T HA -0.191 4.159 4.350 0.001 0.000 0.268 667 T C 1.841 176.655 174.700 0.189 0.000 1.033 667 T CA 1.387 63.515 62.100 0.047 0.000 1.152 667 T CB -0.220 68.727 68.868 0.132 0.000 0.859 667 T HN 0.118 nan 8.240 nan 0.000 0.452 668 L N 1.130 122.485 121.223 0.221 0.000 1.990 668 L HA -0.138 4.203 4.340 0.001 0.000 0.213 668 L C 2.593 179.581 176.870 0.198 0.000 1.072 668 L CA 2.009 57.023 54.840 0.289 0.000 0.755 668 L CB -1.310 40.806 42.059 0.094 0.000 0.889 668 L HN 0.476 nan 8.230 nan 0.000 0.432 669 E N -0.351 119.877 120.200 0.047 0.000 2.058 669 E HA -0.233 4.117 4.350 0.001 0.000 0.194 669 E C 1.959 178.549 176.600 -0.018 0.000 0.997 669 E CA 1.309 57.702 56.400 -0.012 0.000 0.801 669 E CB -0.070 29.584 29.700 -0.076 0.000 0.746 669 E HN 0.599 nan 8.360 nan 0.000 0.450 670 E N 0.611 120.800 120.200 -0.017 0.000 2.072 670 E HA -0.137 4.214 4.350 0.001 0.000 0.191 670 E C 2.370 178.947 176.600 -0.039 0.000 0.985 670 E CA 1.085 57.462 56.400 -0.038 0.000 0.801 670 E CB -0.061 29.610 29.700 -0.048 0.000 0.750 670 E HN 0.102 nan 8.360 nan 0.000 0.452 671 V N 1.851 121.763 119.914 -0.005 0.000 2.295 671 V HA -0.231 3.890 4.120 0.001 0.000 0.246 671 V C 2.387 178.359 176.094 -0.204 0.000 1.049 671 V CA 1.350 63.603 62.300 -0.079 0.000 1.024 671 V CB -0.447 31.395 31.823 0.031 0.000 0.648 671 V HN 0.189 nan 8.190 nan 0.000 0.447 672 L N 0.914 122.052 121.223 -0.142 0.000 2.127 672 L HA -0.119 4.221 4.340 0.001 0.000 0.211 672 L C 2.384 179.192 176.870 -0.103 0.000 1.089 672 L CA 2.239 56.968 54.840 -0.184 0.000 0.757 672 L CB -1.032 41.038 42.059 0.018 0.000 0.899 672 L HN 0.233 nan 8.230 nan 0.000 0.434 673 A N -0.956 121.834 122.820 -0.051 0.000 1.841 673 A HA -0.180 4.140 4.320 0.001 0.000 0.216 673 A C 2.248 179.847 177.584 0.025 0.000 1.199 673 A CA 2.347 54.412 52.037 0.046 0.000 0.621 673 A CB -1.270 17.740 19.000 0.017 0.000 0.835 673 A HN 0.267 nan 8.150 nan 0.000 0.445 674 V N 0.448 120.316 119.914 -0.076 0.000 2.278 674 V HA -0.328 3.792 4.120 0.001 0.000 0.251 674 V C 2.609 178.583 176.094 -0.201 0.000 1.062 674 V CA 2.209 64.410 62.300 -0.164 0.000 1.038 674 V CB -0.977 30.737 31.823 -0.182 0.000 0.646 674 V HN 0.565 nan 8.190 nan 0.000 0.447 675 L N -0.861 120.243 121.223 -0.198 0.000 2.042 675 L HA -0.210 4.130 4.340 0.001 0.000 0.210 675 L C 2.421 179.222 176.870 -0.115 0.000 1.076 675 L CA 1.546 56.277 54.840 -0.181 0.000 0.749 675 L CB -0.600 41.296 42.059 -0.273 0.000 0.893 675 L HN 0.316 nan 8.230 nan 0.000 0.432 676 L N -0.588 120.586 121.223 -0.082 0.000 2.191 676 L HA -0.182 4.159 4.340 0.001 0.000 0.212 676 L C 2.727 179.547 176.870 -0.083 0.000 1.103 676 L CA 0.881 55.701 54.840 -0.034 0.000 0.769 676 L CB -0.461 41.642 42.059 0.073 0.000 0.908 676 L HN 0.266 nan 8.230 nan 0.000 0.438 677 K N 0.427 120.722 120.400 -0.175 0.000 1.967 677 K HA -0.098 4.222 4.320 0.001 0.000 0.212 677 K C 2.096 178.559 176.600 -0.228 0.000 1.044 677 K CA 1.122 57.242 56.287 -0.279 0.000 0.942 677 K CB -0.750 31.487 32.500 -0.439 0.000 0.726 677 K HN 0.223 nan 8.250 nan 0.000 0.440 678 L N 1.221 122.222 121.223 -0.370 0.000 2.034 678 L HA -0.243 4.098 4.340 0.001 0.000 0.217 678 L C 2.519 179.502 176.870 0.188 0.000 1.077 678 L CA 1.094 55.818 54.840 -0.194 0.000 0.769 678 L CB -0.539 41.452 42.059 -0.113 0.000 0.890 678 L HN 0.186 nan 8.230 nan 0.000 0.435 679 L N -0.845 120.464 121.223 0.143 0.000 2.291 679 L HA -0.206 4.134 4.340 0.001 0.000 0.214 679 L C 2.489 179.491 176.870 0.220 0.000 1.120 679 L CA 1.466 56.436 54.840 0.217 0.000 0.799 679 L CB -1.161 40.967 42.059 0.116 0.000 0.925 679 L HN 0.476 nan 8.230 nan 0.000 0.446 680 H N 1.013 120.140 119.070 0.094 0.000 2.289 680 H HA -0.177 4.379 4.556 0.001 0.000 0.294 680 H C -0.604 174.779 175.328 0.092 0.000 1.095 680 H CA 2.235 58.318 56.048 0.059 0.000 1.256 680 H CB -0.684 29.068 29.762 -0.016 0.000 1.359 680 H HN 0.210 nan 8.280 nan 0.000 0.487 681 P HA -0.188 nan 4.420 nan 0.000 0.216 681 P C 1.650 178.917 177.300 -0.055 0.000 1.154 681 P CA 1.842 64.877 63.100 -0.108 0.000 0.865 681 P CB -0.154 31.611 31.700 0.109 0.000 0.789 682 M N -2.620 117.052 119.600 0.119 0.000 2.171 682 M HA 0.024 4.505 4.480 0.001 0.000 0.260 682 M C 0.965 177.386 176.300 0.201 0.000 1.087 682 M CA 1.478 56.899 55.300 0.201 0.000 1.154 682 M CB -0.218 32.630 32.600 0.413 0.000 1.331 682 M HN -0.194 nan 8.290 nan 0.000 0.431 683 M N 1.371 121.088 119.600 0.195 0.000 2.131 683 M HA 0.213 4.693 4.480 0.001 0.000 0.345 683 M C -1.924 174.447 176.300 0.118 0.000 1.060 683 M CA -1.573 53.843 55.300 0.192 0.000 1.011 683 M CB 1.067 33.762 32.600 0.159 0.000 1.328 683 M HN -0.123 nan 8.290 nan 0.000 0.396 684 P HA -0.065 nan 4.420 nan 0.000 0.216 684 P C 1.088 178.529 177.300 0.234 0.000 1.156 684 P CA 1.371 64.456 63.100 -0.025 0.000 0.855 684 P CB 0.164 31.665 31.700 -0.332 0.000 0.786 685 F N 0.574 120.660 119.950 0.227 0.000 1.997 685 F HA -0.158 4.369 4.527 0.001 0.000 0.296 685 F C 2.688 178.360 175.800 -0.212 0.000 1.160 685 F CA 1.217 59.218 58.000 0.003 0.000 1.176 685 F CB -1.891 37.178 39.000 0.115 0.000 0.964 685 F HN -0.197 nan 8.300 nan 0.000 0.484 686 L N -0.244 121.095 121.223 0.193 0.000 2.013 686 L HA -0.220 4.121 4.340 0.001 0.000 0.212 686 L C 2.375 179.199 176.870 -0.077 0.000 1.073 686 L CA 2.384 57.215 54.840 -0.015 0.000 0.753 686 L CB -1.372 40.679 42.059 -0.013 0.000 0.890 686 L HN 0.305 nan 8.230 nan 0.000 0.432 687 T N -1.839 112.715 114.554 0.000 0.000 2.929 687 T HA -0.134 4.216 4.350 0.001 0.000 0.271 687 T C 1.913 176.583 174.700 -0.050 0.000 1.085 687 T CA 1.556 63.662 62.100 0.009 0.000 1.125 687 T CB -0.189 68.745 68.868 0.109 0.000 0.874 687 T HN 0.552 nan 8.240 nan 0.000 0.494 688 S N 0.267 115.843 115.700 -0.207 0.000 2.341 688 S HA 0.006 4.477 4.470 0.001 0.000 0.216 688 S C 1.860 176.282 174.600 -0.298 0.000 1.034 688 S CA 1.058 58.992 58.200 -0.444 0.000 0.964 688 S CB -0.370 62.166 63.200 -1.107 0.000 0.882 688 S HN 0.560 nan 8.310 nan 0.000 0.469 689 E N 1.838 121.798 120.200 -0.401 0.000 2.086 689 E HA -0.205 4.145 4.350 0.001 0.000 0.205 689 E C 1.847 178.537 176.600 0.152 0.000 1.027 689 E CA 1.575 58.075 56.400 0.167 0.000 0.830 689 E CB -0.658 29.132 29.700 0.150 0.000 0.751 689 E HN 0.449 nan 8.360 nan 0.000 0.456 690 L N -0.855 120.397 121.223 0.048 0.000 1.989 690 L HA -0.214 4.126 4.340 0.001 0.000 0.211 690 L C 2.484 179.410 176.870 0.093 0.000 1.071 690 L CA 1.830 56.701 54.840 0.051 0.000 0.749 690 L CB -0.784 41.280 42.059 0.007 0.000 0.890 690 L HN 0.267 nan 8.230 nan 0.000 0.431 691 Y N 0.722 121.006 120.300 -0.027 0.000 2.241 691 Y HA -0.374 4.176 4.550 0.001 0.000 0.286 691 Y C 2.807 178.725 175.900 0.031 0.000 1.166 691 Y CA 2.150 60.239 58.100 -0.018 0.000 1.203 691 Y CB -0.213 38.220 38.460 -0.046 0.000 0.977 691 Y HN 0.253 nan 8.280 nan 0.000 0.529 692 Q N -0.166 119.775 119.800 0.234 0.000 1.990 692 Q HA -0.176 4.164 4.340 0.001 0.000 0.200 692 Q C 2.390 178.427 176.000 0.062 0.000 0.980 692 Q CA 1.937 57.857 55.803 0.195 0.000 0.832 692 Q CB -0.556 28.387 28.738 0.343 0.000 0.897 692 Q HN 0.446 nan 8.270 nan 0.000 0.427 693 A N 0.297 123.161 122.820 0.073 0.000 2.024 693 A HA -0.157 4.164 4.320 0.001 0.000 0.220 693 A C 1.958 179.517 177.584 -0.042 0.000 1.164 693 A CA 1.440 53.489 52.037 0.020 0.000 0.643 693 A CB -0.640 18.381 19.000 0.034 0.000 0.806 693 A HN 0.527 nan 8.150 nan 0.000 0.451 694 L N -0.556 120.618 121.223 -0.082 0.000 2.127 694 L HA 0.033 4.374 4.340 0.001 0.000 0.203 694 L C 2.293 179.040 176.870 -0.205 0.000 1.080 694 L CA 2.588 57.342 54.840 -0.144 0.000 0.768 694 L CB -0.219 41.740 42.059 -0.167 0.000 0.924 694 L HN 0.456 nan 8.230 nan 0.000 0.444 695 T N -5.242 109.135 114.554 -0.295 0.000 3.040 695 T HA 0.382 4.733 4.350 0.001 0.000 0.266 695 T C 1.410 176.013 174.700 -0.161 0.000 1.005 695 T CA 0.360 62.282 62.100 -0.296 0.000 0.906 695 T CB 0.417 68.957 68.868 -0.547 0.000 1.082 695 T HN 0.529 nan 8.240 nan 0.000 0.531 696 G N 2.065 110.809 108.800 -0.093 0.000 2.245 696 G HA2 -0.293 3.667 3.960 0.001 0.000 0.264 696 G HA3 -0.293 3.667 3.960 0.001 0.000 0.264 696 G C 0.076 174.987 174.900 0.019 0.000 0.985 696 G CA 0.332 45.416 45.100 -0.026 0.000 0.625 696 G HN 0.690 nan 8.290 nan 0.000 0.536 697 K N 0.867 121.280 120.400 0.023 0.000 2.412 697 K HA 0.248 4.568 4.320 0.001 0.000 0.281 697 K C 1.113 177.841 176.600 0.213 0.000 1.027 697 K CA 0.001 56.363 56.287 0.125 0.000 0.989 697 K CB 0.641 33.264 32.500 0.204 0.000 0.935 697 K HN 0.252 nan 8.250 nan 0.000 0.475 698 E N 1.951 122.259 120.200 0.181 0.000 2.216 698 E HA -0.090 4.260 4.350 0.001 0.000 0.192 698 E C -0.177 176.621 176.600 0.329 0.000 0.988 698 E CA 1.084 57.604 56.400 0.200 0.000 0.834 698 E CB 0.360 30.115 29.700 0.092 0.000 0.772 698 E HN 0.475 nan 8.360 nan 0.000 0.479 699 E N 1.023 121.401 120.200 0.296 0.000 2.518 699 E HA 0.065 4.415 4.350 0.001 0.000 0.240 699 E C 0.582 177.287 176.600 0.175 0.000 0.996 699 E CA -0.228 56.370 56.400 0.331 0.000 0.768 699 E CB 1.460 31.344 29.700 0.307 0.000 1.329 699 E HN 0.004 nan 8.360 nan 0.000 0.408 700 L N 3.091 124.336 121.223 0.036 0.000 2.042 700 L HA -0.151 4.189 4.340 0.001 0.000 0.210 700 L C 1.994 178.644 176.870 -0.366 0.000 1.076 700 L CA 2.604 57.212 54.840 -0.387 0.000 0.749 700 L CB -0.497 41.143 42.059 -0.699 0.000 0.893 700 L HN 0.495 nan 8.230 nan 0.000 0.432 701 A N -0.392 122.274 122.820 -0.257 0.000 1.997 701 A HA -0.226 4.095 4.320 0.001 0.000 0.221 701 A C 2.189 179.799 177.584 0.044 0.000 1.172 701 A CA 2.387 54.374 52.037 -0.082 0.000 0.645 701 A CB -1.009 18.101 19.000 0.183 0.000 0.813 701 A HN 0.573 nan 8.150 nan 0.000 0.454 702 L N -0.559 120.727 121.223 0.106 0.000 2.567 702 L HA 0.081 4.421 4.340 0.001 0.000 0.225 702 L C 0.559 177.456 176.870 0.045 0.000 1.119 702 L CA -0.361 54.546 54.840 0.112 0.000 0.871 702 L CB -0.201 41.950 42.059 0.154 0.000 1.036 702 L HN 0.220 nan 8.230 nan 0.000 0.459 703 E N 1.133 121.324 120.200 -0.016 0.000 2.410 703 E HA 0.263 4.614 4.350 0.001 0.000 0.255 703 E C 0.068 176.663 176.600 -0.009 0.000 1.194 703 E CA 0.079 56.463 56.400 -0.026 0.000 0.955 703 E CB 0.724 30.344 29.700 -0.134 0.000 0.988 703 E HN 0.117 nan 8.360 nan 0.000 0.461 704 A N 1.023 123.846 122.820 0.005 0.000 2.303 704 A HA 0.222 4.542 4.320 0.001 0.000 0.317 704 A C -0.405 177.216 177.584 0.061 0.000 1.149 704 A CA -0.636 51.423 52.037 0.036 0.000 0.822 704 A CB 0.465 19.481 19.000 0.027 0.000 1.131 704 A HN 0.627 nan 8.150 nan 0.000 0.493 705 W N 3.466 124.692 121.300 -0.124 0.000 2.193 705 W HA 0.190 4.850 4.660 0.001 0.000 0.338 705 W C -2.068 174.408 176.519 -0.072 0.000 1.310 705 W CA -1.044 56.228 57.345 -0.122 0.000 1.243 705 W CB 0.705 30.055 29.460 -0.183 0.000 1.165 705 W HN 0.503 nan 8.180 nan 0.000 0.566 706 P HA 0.057 nan 4.420 nan 0.000 0.271 706 P C -1.283 175.920 177.300 -0.163 0.000 1.218 706 P CA 0.308 63.209 63.100 -0.331 0.000 0.780 706 P CB 1.231 32.657 31.700 -0.456 0.000 0.901 707 E N 2.602 122.756 120.200 -0.075 0.000 2.166 707 E HA 0.347 4.698 4.350 0.001 0.000 0.275 707 E C -2.098 174.484 176.600 -0.029 0.000 0.941 707 E CA -2.628 53.766 56.400 -0.010 0.000 0.784 707 E CB 0.468 30.171 29.700 0.004 0.000 1.115 707 E HN 0.338 nan 8.360 nan 0.000 0.399 708 P HA 0.070 nan 4.420 nan 0.000 0.263 708 P C -0.061 177.228 177.300 -0.020 0.000 1.195 708 P CA 0.077 63.168 63.100 -0.016 0.000 0.762 708 P CB 1.366 33.072 31.700 0.010 0.000 0.799 709 G N 3.126 111.905 108.800 -0.036 0.000 2.992 709 G HA2 0.364 4.324 3.960 0.001 0.000 0.195 709 G HA3 0.364 4.324 3.960 0.001 0.000 0.195 709 G C 0.743 175.626 174.900 -0.027 0.000 2.032 709 G CA 0.286 45.368 45.100 -0.031 0.000 0.831 709 G HN 0.613 nan 8.290 nan 0.000 0.647 710 G N -0.516 108.263 108.800 -0.035 0.000 2.418 710 G HA2 0.408 4.368 3.960 0.001 0.000 0.276 710 G HA3 0.408 4.368 3.960 0.001 0.000 0.276 710 G C 0.075 174.954 174.900 -0.034 0.000 1.442 710 G CA 0.433 45.515 45.100 -0.031 0.000 1.066 710 G HN 1.225 nan 8.290 nan 0.000 0.553 711 R N -1.225 119.254 120.500 -0.034 0.000 2.221 711 R HA 0.036 4.377 4.340 0.001 0.000 0.205 711 R C -1.853 174.438 176.300 -0.015 0.000 0.865 711 R CA -0.535 55.546 56.100 -0.032 0.000 0.749 711 R CB -1.016 29.273 30.300 -0.018 0.000 1.468 711 R HN 0.381 nan 8.270 nan 0.000 0.299 712 D N 2.381 122.771 120.400 -0.017 0.000 2.365 712 D HA 0.091 4.731 4.640 0.001 0.000 0.237 712 D C 0.621 176.938 176.300 0.029 0.000 1.190 712 D CA -0.048 53.959 54.000 0.011 0.000 0.867 712 D CB 1.188 42.001 40.800 0.022 0.000 1.050 712 D HN 0.383 nan 8.370 nan 0.000 0.491 713 E N 3.371 123.589 120.200 0.029 0.000 2.000 713 E HA -0.232 4.119 4.350 0.001 0.000 0.199 713 E C 1.727 178.361 176.600 0.057 0.000 1.011 713 E CA 1.237 57.661 56.400 0.039 0.000 0.836 713 E CB -0.157 29.561 29.700 0.030 0.000 0.778 713 E HN 0.784 nan 8.360 nan 0.000 0.462 714 E N 0.985 121.214 120.200 0.050 0.000 2.068 714 E HA -0.263 4.088 4.350 0.001 0.000 0.207 714 E C 2.103 178.752 176.600 0.083 0.000 1.032 714 E CA 1.756 58.189 56.400 0.055 0.000 0.839 714 E CB -0.503 29.222 29.700 0.042 0.000 0.758 714 E HN 0.169 nan 8.360 nan 0.000 0.457 715 A N 1.438 124.314 122.820 0.094 0.000 1.958 715 A HA -0.306 4.014 4.320 0.001 0.000 0.221 715 A C 2.088 179.815 177.584 0.238 0.000 1.178 715 A CA 2.115 54.238 52.037 0.143 0.000 0.642 715 A CB -0.650 18.425 19.000 0.125 0.000 0.816 715 A HN 0.470 nan 8.150 nan 0.000 0.453 716 E N -1.299 119.039 120.200 0.230 0.000 2.072 716 E HA -0.162 4.188 4.350 0.001 0.000 0.190 716 E C 2.301 179.047 176.600 0.243 0.000 0.982 716 E CA 1.018 57.630 56.400 0.353 0.000 0.803 716 E CB -0.145 29.687 29.700 0.221 0.000 0.755 716 E HN 0.659 nan 8.360 nan 0.000 0.453 717 R N 0.681 121.262 120.500 0.136 0.000 2.148 717 R HA -0.050 4.290 4.340 0.001 0.000 0.223 717 R C 2.078 178.403 176.300 0.042 0.000 1.088 717 R CA 0.997 57.141 56.100 0.073 0.000 0.985 717 R CB -0.008 30.322 30.300 0.049 0.000 0.880 717 R HN 0.094 nan 8.270 nan 0.000 0.451 718 A N 0.454 123.316 122.820 0.069 0.000 1.840 718 A HA -0.143 4.177 4.320 0.001 0.000 0.214 718 A C 1.895 179.478 177.584 -0.002 0.000 1.198 718 A CA 0.970 53.029 52.037 0.036 0.000 0.608 718 A CB -0.837 18.205 19.000 0.071 0.000 0.839 718 A HN 0.459 nan 8.150 nan 0.000 0.443 719 F N 0.927 120.791 119.950 -0.144 0.000 2.250 719 F HA -0.161 4.367 4.527 0.001 0.000 0.301 719 F C 2.142 177.691 175.800 -0.418 0.000 1.077 719 F CA 1.962 59.749 58.000 -0.354 0.000 1.348 719 F CB -0.014 38.527 39.000 -0.764 0.000 1.040 719 F HN 0.363 nan 8.300 nan 0.000 0.509 720 E N 0.645 120.737 120.200 -0.180 0.000 2.047 720 E HA -0.153 4.198 4.350 0.001 0.000 0.191 720 E C 2.240 178.670 176.600 -0.283 0.000 0.987 720 E CA 1.453 57.715 56.400 -0.230 0.000 0.799 720 E CB -0.665 28.992 29.700 -0.070 0.000 0.752 720 E HN 0.330 nan 8.360 nan 0.000 0.449 721 A N 0.773 123.471 122.820 -0.204 0.000 1.873 721 A HA -0.213 4.107 4.320 0.001 0.000 0.218 721 A C 2.250 179.677 177.584 -0.262 0.000 1.193 721 A CA 1.850 53.774 52.037 -0.188 0.000 0.629 721 A CB -1.077 17.838 19.000 -0.141 0.000 0.826 721 A HN 0.394 nan 8.150 nan 0.000 0.447 722 L N -0.130 120.876 121.223 -0.361 0.000 1.970 722 L HA -0.210 4.131 4.340 0.001 0.000 0.212 722 L C 2.341 178.959 176.870 -0.421 0.000 1.071 722 L CA 2.527 57.126 54.840 -0.402 0.000 0.751 722 L CB -0.693 41.022 42.059 -0.574 0.000 0.889 722 L HN 0.405 nan 8.230 nan 0.000 0.432 723 K N -0.944 119.015 120.400 -0.736 0.000 2.077 723 K HA -0.296 4.024 4.320 0.001 0.000 0.213 723 K C 2.075 178.509 176.600 -0.277 0.000 1.051 723 K CA 2.360 58.184 56.287 -0.773 0.000 0.929 723 K CB -0.324 31.552 32.500 -1.040 0.000 0.715 723 K HN 0.559 nan 8.250 nan 0.000 0.451 724 Q N -0.178 119.485 119.800 -0.228 0.000 2.030 724 Q HA -0.174 4.166 4.340 0.001 0.000 0.204 724 Q C 2.287 178.267 176.000 -0.033 0.000 0.986 724 Q CA 1.539 57.284 55.803 -0.097 0.000 0.843 724 Q CB -0.274 28.402 28.738 -0.102 0.000 0.904 724 Q HN 0.385 nan 8.270 nan 0.000 0.420 725 A N 0.564 123.343 122.820 -0.068 0.000 1.892 725 A HA -0.191 4.129 4.320 0.001 0.000 0.218 725 A C 2.390 180.088 177.584 0.189 0.000 1.188 725 A CA 1.722 53.745 52.037 -0.023 0.000 0.631 725 A CB -1.012 17.863 19.000 -0.209 0.000 0.822 725 A HN 0.229 nan 8.150 nan 0.000 0.447 726 V N 0.534 120.589 119.914 0.236 0.000 2.255 726 V HA -0.283 3.837 4.120 0.001 0.000 0.247 726 V C 2.993 179.210 176.094 0.205 0.000 1.051 726 V CA 2.691 65.170 62.300 0.297 0.000 1.018 726 V CB -1.324 30.689 31.823 0.317 0.000 0.641 726 V HN 0.839 nan 8.190 nan 0.000 0.445 727 T N -1.094 113.578 114.554 0.198 0.000 2.867 727 T HA -0.097 4.253 4.350 0.001 0.000 0.268 727 T C 1.919 176.687 174.700 0.113 0.000 1.057 727 T CA 1.260 63.459 62.100 0.164 0.000 1.136 727 T CB -0.504 68.469 68.868 0.175 0.000 0.874 727 T HN 0.497 nan 8.240 nan 0.000 0.466 728 A N 1.737 124.619 122.820 0.104 0.000 1.841 728 A HA -0.032 4.288 4.320 0.001 0.000 0.216 728 A C 2.650 180.299 177.584 0.109 0.000 1.199 728 A CA 1.870 53.963 52.037 0.094 0.000 0.621 728 A CB -1.331 17.717 19.000 0.078 0.000 0.835 728 A HN 0.364 nan 8.150 nan 0.000 0.445 729 V N 0.135 120.129 119.914 0.134 0.000 2.282 729 V HA -0.342 3.778 4.120 0.001 0.000 0.249 729 V C 2.672 178.805 176.094 0.066 0.000 1.057 729 V CA 2.479 64.847 62.300 0.113 0.000 1.032 729 V CB -0.929 30.972 31.823 0.129 0.000 0.645 729 V HN 0.536 nan 8.190 nan 0.000 0.447 730 R N -0.103 120.429 120.500 0.054 0.000 2.103 730 R HA -0.196 4.144 4.340 0.001 0.000 0.242 730 R C 2.413 178.737 176.300 0.040 0.000 1.142 730 R CA 1.659 57.774 56.100 0.025 0.000 0.960 730 R CB -0.619 29.696 30.300 0.024 0.000 0.858 730 R HN 0.573 nan 8.270 nan 0.000 0.439 731 A N 0.909 123.766 122.820 0.062 0.000 1.873 731 A HA -0.131 4.189 4.320 0.001 0.000 0.215 731 A C 2.034 179.671 177.584 0.088 0.000 1.186 731 A CA 0.884 52.961 52.037 0.067 0.000 0.616 731 A CB -0.463 18.578 19.000 0.069 0.000 0.823 731 A HN 0.126 nan 8.150 nan 0.000 0.442 732 L N 0.238 121.527 121.223 0.109 0.000 1.971 732 L HA -0.231 4.110 4.340 0.001 0.000 0.215 732 L C 2.424 179.355 176.870 0.102 0.000 1.072 732 L CA 2.260 57.185 54.840 0.141 0.000 0.758 732 L CB -0.692 41.444 42.059 0.129 0.000 0.889 732 L HN 0.378 nan 8.230 nan 0.000 0.433 733 K N -1.231 119.205 120.400 0.061 0.000 2.020 733 K HA -0.224 4.097 4.320 0.001 0.000 0.212 733 K C 2.031 178.656 176.600 0.041 0.000 1.050 733 K CA 1.511 57.820 56.287 0.036 0.000 0.929 733 K CB -0.488 32.018 32.500 0.009 0.000 0.714 733 K HN 0.418 nan 8.250 nan 0.000 0.443 734 A N 2.036 124.880 122.820 0.040 0.000 1.859 734 A HA -0.302 4.018 4.320 0.001 0.000 0.218 734 A C 2.038 179.653 177.584 0.053 0.000 1.209 734 A CA 2.182 54.241 52.037 0.037 0.000 0.639 734 A CB -0.773 18.247 19.000 0.034 0.000 0.835 734 A HN 0.403 nan 8.150 nan 0.000 0.450 735 E N -0.459 119.789 120.200 0.080 0.000 2.058 735 E HA -0.136 4.214 4.350 0.001 0.000 0.194 735 E C 2.216 178.887 176.600 0.118 0.000 0.997 735 E CA 1.067 57.532 56.400 0.109 0.000 0.801 735 E CB -0.368 29.429 29.700 0.163 0.000 0.746 735 E HN 0.632 nan 8.360 nan 0.000 0.450 736 A N 0.441 123.328 122.820 0.112 0.000 2.125 736 A HA 0.003 4.324 4.320 0.001 0.000 0.219 736 A C 1.921 179.533 177.584 0.047 0.000 1.156 736 A CA 1.256 53.337 52.037 0.073 0.000 0.671 736 A CB -0.725 18.297 19.000 0.038 0.000 0.794 736 A HN 0.419 nan 8.150 nan 0.000 0.459 737 G N -2.467 106.359 108.800 0.043 0.000 2.136 737 G HA2 -0.160 3.800 3.960 0.001 0.000 0.242 737 G HA3 -0.160 3.800 3.960 0.001 0.000 0.242 737 G C -0.197 174.712 174.900 0.015 0.000 0.989 737 G CA 0.204 45.320 45.100 0.028 0.000 0.682 737 G HN 0.352 nan 8.290 nan 0.000 0.522 738 L N 1.056 122.287 121.223 0.013 0.000 2.349 738 L HA 0.533 4.873 4.340 0.001 0.000 0.275 738 L C -1.441 175.427 176.870 -0.003 0.000 1.115 738 L CA -2.046 52.796 54.840 0.003 0.000 0.820 738 L CB 0.485 42.544 42.059 -0.000 0.000 1.135 738 L HN -0.073 nan 8.230 nan 0.000 0.445 739 P HA 0.184 nan 4.420 nan 0.000 0.272 739 P C -1.971 175.316 177.300 -0.023 0.000 1.223 739 P CA -0.992 62.101 63.100 -0.013 0.000 0.784 739 P CB 0.131 31.824 31.700 -0.012 0.000 0.923 740 P HA -0.281 nan 4.420 nan 0.000 0.213 740 P C 1.220 178.485 177.300 -0.058 0.000 1.176 740 P CA 2.201 65.273 63.100 -0.048 0.000 0.919 740 P CB -0.420 31.250 31.700 -0.050 0.000 0.791 741 A N -1.023 121.769 122.820 -0.047 0.000 2.125 741 A HA -0.180 4.140 4.320 0.001 0.000 0.219 741 A C 1.415 178.975 177.584 -0.039 0.000 1.156 741 A CA 0.584 52.593 52.037 -0.045 0.000 0.671 741 A CB -1.356 17.627 19.000 -0.029 0.000 0.794 741 A HN 0.222 nan 8.150 nan 0.000 0.459 742 Q N 1.091 120.871 119.800 -0.033 0.000 2.320 742 Q HA 0.071 4.411 4.340 0.001 0.000 0.311 742 Q C -0.170 175.810 176.000 -0.033 0.000 1.083 742 Q CA 0.390 56.177 55.803 -0.026 0.000 1.001 742 Q CB 0.021 28.747 28.738 -0.021 0.000 1.074 742 Q HN 0.524 nan 8.270 nan 0.000 0.379 743 E N 1.746 121.931 120.200 -0.025 0.000 2.383 743 E HA 0.392 4.743 4.350 0.001 0.000 0.264 743 E C -1.260 175.327 176.600 -0.020 0.000 1.050 743 E CA -0.075 56.310 56.400 -0.026 0.000 0.896 743 E CB 0.816 30.508 29.700 -0.013 0.000 0.982 743 E HN 0.437 nan 8.360 nan 0.000 0.424 744 V N 3.729 123.630 119.914 -0.022 0.000 3.048 744 V HA 0.418 4.539 4.120 0.001 0.000 0.303 744 V C -0.886 175.217 176.094 0.015 0.000 1.214 744 V CA -0.854 61.443 62.300 -0.005 0.000 0.984 744 V CB 2.350 34.168 31.823 -0.009 0.000 1.054 744 V HN 0.615 nan 8.190 nan 0.000 0.430 745 R N 1.714 122.235 120.500 0.034 0.000 2.387 745 R HA 0.844 5.185 4.340 0.001 0.000 0.314 745 R C -1.271 175.081 176.300 0.087 0.000 0.958 745 R CA -0.490 55.649 56.100 0.064 0.000 0.846 745 R CB 2.252 32.583 30.300 0.052 0.000 1.147 745 R HN 0.452 nan 8.270 nan 0.000 0.447 746 V N 3.032 123.028 119.914 0.138 0.000 3.167 746 V HA 0.498 4.619 4.120 0.001 0.000 0.310 746 V C -1.823 174.398 176.094 0.211 0.000 1.207 746 V CA -0.825 61.571 62.300 0.160 0.000 1.059 746 V CB 2.685 34.612 31.823 0.173 0.000 1.079 746 V HN 0.709 nan 8.190 nan 0.000 0.446 747 Y N 2.545 122.871 120.300 0.045 0.000 2.391 747 Y HA 0.743 5.293 4.550 0.001 0.000 0.341 747 Y C -1.204 174.695 175.900 -0.001 0.000 0.965 747 Y CA -0.775 57.336 58.100 0.017 0.000 1.067 747 Y CB 1.557 40.022 38.460 0.008 0.000 1.199 747 Y HN 0.537 nan 8.280 nan 0.000 0.450 748 L N 5.490 126.284 121.223 -0.715 0.000 2.331 748 L HA 0.614 4.954 4.340 0.001 0.000 0.275 748 L C -0.806 175.599 176.870 -0.774 0.000 1.022 748 L CA -0.824 53.661 54.840 -0.592 0.000 0.812 748 L CB 1.967 43.774 42.059 -0.421 0.000 1.257 748 L HN 0.635 nan 8.230 nan 0.000 0.435 749 E N 0.828 120.788 120.200 -0.401 0.000 2.256 749 E HA 0.653 5.003 4.350 0.001 0.000 0.268 749 E C -0.174 176.340 176.600 -0.144 0.000 0.877 749 E CA -0.295 55.961 56.400 -0.239 0.000 0.757 749 E CB 2.417 32.065 29.700 -0.087 0.000 1.183 749 E HN 0.804 nan 8.360 nan 0.000 0.418 750 G N 2.535 111.267 108.800 -0.114 0.000 2.358 750 G HA2 -0.216 3.745 3.960 0.001 0.000 0.198 750 G HA3 -0.216 3.745 3.960 0.001 0.000 0.198 750 G C -0.718 174.127 174.900 -0.092 0.000 1.220 750 G CA -0.681 44.369 45.100 -0.084 0.000 1.187 750 G HN 0.560 nan 8.290 nan 0.000 0.544 751 E N 1.696 121.844 120.200 -0.086 0.000 1.774 751 E HA 0.378 4.728 4.350 0.001 0.000 0.265 751 E C 1.579 178.106 176.600 -0.121 0.000 1.207 751 E CA 0.691 57.039 56.400 -0.085 0.000 1.054 751 E CB -0.335 29.323 29.700 -0.071 0.000 1.074 751 E HN 0.656 nan 8.360 nan 0.000 0.433 752 T N -0.314 114.161 114.554 -0.133 0.000 3.022 752 T HA 0.199 4.549 4.350 0.001 0.000 0.250 752 T C 1.793 176.406 174.700 -0.144 0.000 1.060 752 T CA 0.300 62.293 62.100 -0.177 0.000 1.013 752 T CB 0.397 69.142 68.868 -0.206 0.000 0.982 752 T HN 0.279 nan 8.240 nan 0.000 0.508 753 A N 3.268 126.030 122.820 -0.097 0.000 1.915 753 A HA -0.056 4.265 4.320 0.001 0.000 0.220 753 A C 0.198 177.743 177.584 -0.066 0.000 1.198 753 A CA 1.866 53.863 52.037 -0.067 0.000 0.647 753 A CB -1.799 17.175 19.000 -0.043 0.000 0.825 753 A HN 0.478 nan 8.150 nan 0.000 0.456 754 P HA -0.126 nan 4.420 nan 0.000 0.214 754 P C 1.663 178.916 177.300 -0.079 0.000 1.163 754 P CA 1.660 64.719 63.100 -0.067 0.000 0.889 754 P CB -0.186 31.454 31.700 -0.099 0.000 0.790 755 V N -0.011 119.809 119.914 -0.156 0.000 2.343 755 V HA -0.266 3.855 4.120 0.001 0.000 0.247 755 V C 2.242 178.274 176.094 -0.103 0.000 1.051 755 V CA 1.927 64.106 62.300 -0.203 0.000 1.036 755 V CB -1.297 30.224 31.823 -0.502 0.000 0.654 755 V HN 0.178 nan 8.190 nan 0.000 0.451 756 E N 0.079 120.219 120.200 -0.099 0.000 2.031 756 E HA -0.235 4.116 4.350 0.001 0.000 0.193 756 E C 2.279 178.879 176.600 0.001 0.000 0.994 756 E CA 1.619 57.993 56.400 -0.043 0.000 0.800 756 E CB -0.191 29.480 29.700 -0.048 0.000 0.752 756 E HN 0.703 nan 8.360 nan 0.000 0.447 757 E N 0.677 120.878 120.200 0.001 0.000 2.051 757 E HA -0.095 4.255 4.350 0.001 0.000 0.192 757 E C 0.691 177.321 176.600 0.050 0.000 0.991 757 E CA 0.710 57.125 56.400 0.024 0.000 0.799 757 E CB -0.058 29.655 29.700 0.023 0.000 0.748 757 E HN 0.193 nan 8.360 nan 0.000 0.449 758 N N 1.353 120.090 118.700 0.062 0.000 2.839 758 N HA 0.041 4.782 4.740 0.001 0.000 0.314 758 N C 0.804 176.396 175.510 0.136 0.000 1.449 758 N CA -0.040 53.072 53.050 0.104 0.000 1.050 758 N CB 0.975 39.539 38.487 0.128 0.000 1.364 758 N HN 0.053 nan 8.380 nan 0.000 0.512 759 L N 1.130 122.426 121.223 0.123 0.000 2.012 759 L HA -0.139 4.202 4.340 0.001 0.000 0.210 759 L C 2.081 179.074 176.870 0.206 0.000 1.073 759 L CA 2.012 56.956 54.840 0.173 0.000 0.748 759 L CB -0.222 41.912 42.059 0.126 0.000 0.891 759 L HN 0.124 nan 8.230 nan 0.000 0.431 760 E N -0.479 119.813 120.200 0.153 0.000 2.160 760 E HA -0.161 4.189 4.350 0.001 0.000 0.195 760 E C 2.243 178.957 176.600 0.190 0.000 0.991 760 E CA 1.489 57.975 56.400 0.144 0.000 0.810 760 E CB -0.355 29.405 29.700 0.101 0.000 0.742 760 E HN 0.472 nan 8.360 nan 0.000 0.466 761 V N 0.977 121.020 119.914 0.214 0.000 2.270 761 V HA -0.229 3.891 4.120 0.001 0.000 0.245 761 V C 2.184 178.429 176.094 0.251 0.000 1.043 761 V CA 1.787 64.249 62.300 0.269 0.000 1.014 761 V CB -0.739 31.244 31.823 0.268 0.000 0.645 761 V HN 0.180 nan 8.190 nan 0.000 0.447 762 F N 1.697 121.709 119.950 0.103 0.000 2.091 762 F HA -0.250 4.277 4.527 0.001 0.000 0.299 762 F C 2.552 178.386 175.800 0.057 0.000 1.103 762 F CA 1.945 59.978 58.000 0.056 0.000 1.228 762 F CB -0.445 38.567 39.000 0.020 0.000 0.984 762 F HN -0.009 nan 8.300 nan 0.000 0.477 763 R N -0.951 119.476 120.500 -0.122 0.000 2.070 763 R HA -0.198 4.142 4.340 0.001 0.000 0.233 763 R C 2.268 178.487 176.300 -0.136 0.000 1.137 763 R CA 1.898 57.879 56.100 -0.199 0.000 0.945 763 R CB -1.161 29.151 30.300 0.021 0.000 0.845 763 R HN 0.411 nan 8.270 nan 0.000 0.430 764 F N 1.610 121.497 119.950 -0.105 0.000 2.126 764 F HA -0.148 4.379 4.527 0.001 0.000 0.299 764 F C 1.796 177.531 175.800 -0.108 0.000 1.096 764 F CA 1.464 59.416 58.000 -0.079 0.000 1.255 764 F CB -0.243 38.741 39.000 -0.026 0.000 0.997 764 F HN -0.092 nan 8.300 nan 0.000 0.479 765 L N -0.329 120.672 121.223 -0.370 0.000 2.109 765 L HA -0.133 4.208 4.340 0.001 0.000 0.207 765 L C 2.611 179.254 176.870 -0.379 0.000 1.086 765 L CA 1.388 55.969 54.840 -0.432 0.000 0.760 765 L CB -0.785 41.210 42.059 -0.106 0.000 0.910 765 L HN 0.316 nan 8.230 nan 0.000 0.437 766 S N -1.320 114.126 115.700 -0.424 0.000 2.470 766 S HA -0.007 4.464 4.470 0.001 0.000 0.222 766 S C 1.097 175.500 174.600 -0.329 0.000 1.024 766 S CA -0.126 57.841 58.200 -0.389 0.000 0.931 766 S CB 0.199 63.020 63.200 -0.631 0.000 0.791 766 S HN 0.284 nan 8.310 nan 0.000 0.513 767 R N 0.732 121.022 120.500 -0.350 0.000 3.407 767 R HA -0.064 4.276 4.340 0.001 0.000 0.277 767 R C -0.469 175.717 176.300 -0.190 0.000 1.119 767 R CA 0.776 56.742 56.100 -0.223 0.000 0.750 767 R CB -2.195 28.000 30.300 -0.176 0.000 1.258 767 R HN 0.837 nan 8.270 nan 0.000 0.432 768 A N 0.099 122.753 122.820 -0.276 0.000 2.449 768 A HA 0.679 5.000 4.320 0.001 0.000 0.302 768 A C -1.156 176.373 177.584 -0.091 0.000 1.048 768 A CA -0.778 51.160 52.037 -0.166 0.000 0.708 768 A CB 1.315 20.230 19.000 -0.142 0.000 1.274 768 A HN 0.217 nan 8.150 nan 0.000 0.410 769 D N 0.794 121.218 120.400 0.039 0.000 2.181 769 D HA 0.531 5.171 4.640 0.001 0.000 0.248 769 D C -0.294 176.115 176.300 0.181 0.000 1.020 769 D CA -0.251 53.813 54.000 0.105 0.000 0.891 769 D CB 1.307 42.148 40.800 0.069 0.000 1.187 769 D HN 0.455 nan 8.370 nan 0.000 0.443 770 L N 1.452 122.800 121.223 0.208 0.000 2.397 770 L HA 0.275 4.615 4.340 0.001 0.000 0.271 770 L C -0.334 176.619 176.870 0.139 0.000 1.148 770 L CA -0.499 54.448 54.840 0.178 0.000 0.825 770 L CB 0.475 42.607 42.059 0.122 0.000 1.117 770 L HN 0.225 nan 8.230 nan 0.000 0.456 771 L N 5.438 126.763 121.223 0.171 0.000 2.272 771 L HA 0.287 4.628 4.340 0.001 0.000 0.289 771 L C -1.228 175.779 176.870 0.229 0.000 1.032 771 L CA -1.510 53.436 54.840 0.176 0.000 0.810 771 L CB 1.701 43.870 42.059 0.182 0.000 1.205 771 L HN 0.484 nan 8.230 nan 0.000 0.422 772 P HA -0.084 nan 4.420 nan 0.000 0.217 772 P C -0.033 177.337 177.300 0.118 0.000 1.151 772 P CA 1.066 64.242 63.100 0.127 0.000 0.828 772 P CB 0.513 32.253 31.700 0.067 0.000 0.788 773 E N 0.879 121.084 120.200 0.007 0.000 2.133 773 E HA 0.185 4.535 4.350 0.001 0.000 0.274 773 E C 0.252 176.588 176.600 -0.439 0.000 0.930 773 E CA -0.907 55.408 56.400 -0.142 0.000 0.770 773 E CB 1.013 30.656 29.700 -0.095 0.000 1.104 773 E HN -0.009 nan 8.360 nan 0.000 0.403 774 R N 5.048 125.023 120.500 -0.875 0.000 2.513 774 R HA 0.022 4.363 4.340 0.001 0.000 0.333 774 R C -2.075 173.900 176.300 -0.541 0.000 0.925 774 R CA -0.623 54.672 56.100 -1.342 0.000 1.072 774 R CB -0.333 29.399 30.300 -0.945 0.000 0.914 774 R HN 0.267 nan 8.270 nan 0.000 0.408 775 P HA 0.006 nan 4.420 nan 0.000 0.268 775 P C 0.150 177.366 177.300 -0.139 0.000 1.204 775 P CA 0.064 63.054 63.100 -0.183 0.000 0.768 775 P CB 0.828 32.461 31.700 -0.111 0.000 0.842 776 A N 5.068 127.826 122.820 -0.104 0.000 1.837 776 A HA -0.148 4.172 4.320 0.001 0.000 0.216 776 A C 1.049 178.594 177.584 -0.064 0.000 1.210 776 A CA 1.544 53.535 52.037 -0.076 0.000 0.632 776 A CB -0.806 18.157 19.000 -0.060 0.000 0.843 776 A HN 0.689 nan 8.150 nan 0.000 0.448 777 K N -0.178 120.182 120.400 -0.067 0.000 2.138 777 K HA 0.764 5.085 4.320 0.001 0.000 0.263 777 K C -0.652 175.889 176.600 -0.097 0.000 0.965 777 K CA 0.250 56.492 56.287 -0.074 0.000 0.868 777 K CB 1.251 33.708 32.500 -0.071 0.000 1.083 777 K HN 1.009 nan 8.250 nan 0.000 0.443 778 A N 1.990 124.733 122.820 -0.129 0.000 2.544 778 A HA 0.447 4.767 4.320 0.001 0.000 0.291 778 A C -1.860 175.544 177.584 -0.300 0.000 1.055 778 A CA -0.887 51.049 52.037 -0.168 0.000 0.651 778 A CB 0.625 19.573 19.000 -0.087 0.000 1.296 778 A HN 0.427 nan 8.150 nan 0.000 0.431 779 L N 0.666 121.657 121.223 -0.388 0.000 2.349 779 L HA 0.601 4.942 4.340 0.001 0.000 0.275 779 L C -0.091 176.696 176.870 -0.139 0.000 1.115 779 L CA 0.014 54.428 54.840 -0.710 0.000 0.820 779 L CB 1.320 42.942 42.059 -0.727 0.000 1.135 779 L HN 0.497 nan 8.230 nan 0.000 0.445 780 V N 2.954 123.039 119.914 0.285 0.000 2.680 780 V HA 0.611 4.732 4.120 0.001 0.000 0.309 780 V C -0.436 175.947 176.094 0.482 0.000 1.052 780 V CA -0.943 61.598 62.300 0.401 0.000 0.908 780 V CB 2.054 34.087 31.823 0.350 0.000 1.001 780 V HN 0.613 nan 8.190 nan 0.000 0.431 781 K N 2.970 123.526 120.400 0.260 0.000 2.545 781 K HA 0.785 5.106 4.320 0.001 0.000 0.252 781 K C -0.722 175.938 176.600 0.100 0.000 0.948 781 K CA -0.166 56.223 56.287 0.171 0.000 0.827 781 K CB 1.723 34.315 32.500 0.153 0.000 1.128 781 K HN 0.896 nan 8.250 nan 0.000 0.429 782 A N 4.721 127.580 122.820 0.064 0.000 2.260 782 A HA 0.711 5.031 4.320 0.001 0.000 0.314 782 A C -0.834 176.760 177.584 0.018 0.000 1.257 782 A CA -0.579 51.480 52.037 0.038 0.000 0.871 782 A CB 0.374 19.392 19.000 0.031 0.000 1.166 782 A HN 0.720 nan 8.150 nan 0.000 0.522 783 M N 3.057 122.661 119.600 0.008 0.000 2.654 783 M HA 0.474 4.954 4.480 0.001 0.000 0.310 783 M C -1.744 174.550 176.300 -0.011 0.000 1.211 783 M CA -1.960 53.338 55.300 -0.003 0.000 0.947 783 M CB 1.714 34.307 32.600 -0.012 0.000 1.647 783 M HN 0.321 nan 8.290 nan 0.000 0.481 784 P HA -0.096 nan 4.420 nan 0.000 0.216 784 P C 0.758 178.045 177.300 -0.021 0.000 1.150 784 P CA 1.363 64.454 63.100 -0.014 0.000 0.837 784 P CB 0.300 31.992 31.700 -0.013 0.000 0.786 785 R N -1.936 118.544 120.500 -0.034 0.000 2.369 785 R HA 0.320 4.660 4.340 0.001 0.000 0.210 785 R C 0.241 176.507 176.300 -0.057 0.000 0.881 785 R CA 0.086 56.160 56.100 -0.044 0.000 1.031 785 R CB 0.188 30.456 30.300 -0.054 0.000 1.184 785 R HN 0.136 nan 8.270 nan 0.000 0.581 786 V N 0.344 120.222 119.914 -0.060 0.000 3.078 786 V HA 0.560 4.680 4.120 0.001 0.000 0.311 786 V C -1.246 174.817 176.094 -0.051 0.000 1.138 786 V CA -0.433 61.821 62.300 -0.077 0.000 1.007 786 V CB 2.640 34.394 31.823 -0.114 0.000 1.045 786 V HN 0.090 nan 8.190 nan 0.000 0.432 787 T N 4.120 118.639 114.554 -0.058 0.000 2.861 787 T HA 0.803 5.154 4.350 0.001 0.000 0.287 787 T C -0.659 174.028 174.700 -0.022 0.000 1.003 787 T CA 0.030 62.121 62.100 -0.015 0.000 0.977 787 T CB 1.484 70.358 68.868 0.011 0.000 0.996 787 T HN 1.147 nan 8.240 nan 0.000 0.448 788 A N 3.426 126.266 122.820 0.035 0.000 2.342 788 A HA 0.790 5.110 4.320 0.001 0.000 0.323 788 A C -0.327 177.328 177.584 0.119 0.000 1.125 788 A CA -0.861 51.211 52.037 0.058 0.000 0.785 788 A CB 0.901 19.948 19.000 0.077 0.000 1.221 788 A HN 0.767 nan 8.150 nan 0.000 0.463 789 R N 2.399 122.994 120.500 0.158 0.000 2.388 789 R HA 0.386 4.727 4.340 0.001 0.000 0.314 789 R C -1.006 175.364 176.300 0.117 0.000 0.959 789 R CA -0.329 55.866 56.100 0.157 0.000 0.851 789 R CB 1.807 32.245 30.300 0.230 0.000 1.168 789 R HN 0.821 nan 8.270 nan 0.000 0.472 790 M N 4.904 124.530 119.600 0.043 0.000 2.088 790 M HA 0.349 4.829 4.480 0.001 0.000 0.346 790 M C -2.398 173.878 176.300 -0.039 0.000 1.111 790 M CA -1.883 53.426 55.300 0.015 0.000 1.017 790 M CB 1.533 34.132 32.600 -0.001 0.000 1.568 790 M HN 0.154 nan 8.290 nan 0.000 0.445 791 P HA -0.055 nan 4.420 nan 0.000 0.265 791 P C -0.071 177.188 177.300 -0.068 0.000 1.187 791 P CA 0.247 63.319 63.100 -0.046 0.000 0.766 791 P CB 0.410 32.095 31.700 -0.025 0.000 0.820 792 L N 1.591 122.763 121.223 -0.085 0.000 2.762 792 L HA -0.020 4.321 4.340 0.001 0.000 0.250 792 L C 0.723 177.555 176.870 -0.063 0.000 1.160 792 L CA 0.493 55.277 54.840 -0.093 0.000 0.951 792 L CB -0.959 41.038 42.059 -0.103 0.000 1.148 792 L HN 0.398 nan 8.230 nan 0.000 0.424 793 E N 0.770 120.942 120.200 -0.047 0.000 2.366 793 E HA 0.358 4.709 4.350 0.001 0.000 0.266 793 E C 0.805 177.387 176.600 -0.030 0.000 1.015 793 E CA 0.426 56.806 56.400 -0.033 0.000 0.906 793 E CB 0.548 30.235 29.700 -0.023 0.000 0.979 793 E HN 0.333 nan 8.360 nan 0.000 0.443 794 G N 2.141 110.925 108.800 -0.026 0.000 2.631 794 G HA2 -0.202 3.758 3.960 0.001 0.000 0.504 794 G HA3 -0.202 3.758 3.960 0.001 0.000 0.504 794 G C -1.167 173.719 174.900 -0.023 0.000 1.306 794 G CA -1.019 44.068 45.100 -0.022 0.000 0.897 794 G HN 0.409 nan 8.290 nan 0.000 0.520 795 L N 1.124 122.337 121.223 -0.017 0.000 2.312 795 L HA 0.644 4.985 4.340 0.001 0.000 0.287 795 L C 0.181 177.043 176.870 -0.012 0.000 1.091 795 L CA 0.017 54.849 54.840 -0.013 0.000 0.846 795 L CB -0.508 41.547 42.059 -0.007 0.000 1.219 795 L HN 0.495 nan 8.230 nan 0.000 0.439 796 L N 3.706 124.918 121.223 -0.018 0.000 2.342 796 L HA 0.428 4.769 4.340 0.001 0.000 0.271 796 L C 0.191 177.064 176.870 0.004 0.000 1.008 796 L CA -0.804 54.027 54.840 -0.014 0.000 0.818 796 L CB 2.067 44.099 42.059 -0.045 0.000 1.296 796 L HN 0.358 nan 8.230 nan 0.000 0.427 797 D N 1.480 121.897 120.400 0.028 0.000 2.517 797 D HA 0.113 4.754 4.640 0.001 0.000 0.220 797 D C 0.835 177.191 176.300 0.094 0.000 1.158 797 D CA -0.030 54.002 54.000 0.053 0.000 0.992 797 D CB 1.273 42.108 40.800 0.059 0.000 1.058 797 D HN 0.248 nan 8.370 nan 0.000 0.516 798 V N 3.604 123.564 119.914 0.077 0.000 2.427 798 V HA -0.213 3.907 4.120 0.001 0.000 0.248 798 V C 2.230 178.457 176.094 0.222 0.000 1.051 798 V CA 1.426 63.806 62.300 0.134 0.000 1.048 798 V CB -0.276 31.582 31.823 0.057 0.000 0.666 798 V HN 0.514 nan 8.190 nan 0.000 0.456 799 E N -0.293 119.988 120.200 0.136 0.000 2.048 799 E HA -0.278 4.073 4.350 0.001 0.000 0.202 799 E C 2.316 178.987 176.600 0.119 0.000 1.021 799 E CA 1.542 58.010 56.400 0.113 0.000 0.825 799 E CB -0.210 29.530 29.700 0.068 0.000 0.756 799 E HN 0.513 nan 8.360 nan 0.000 0.454 800 E N 0.397 120.667 120.200 0.115 0.000 2.012 800 E HA -0.212 4.138 4.350 0.001 0.000 0.197 800 E C 1.661 178.334 176.600 0.120 0.000 1.007 800 E CA 1.116 57.574 56.400 0.096 0.000 0.816 800 E CB -0.628 29.127 29.700 0.092 0.000 0.762 800 E HN 0.398 nan 8.360 nan 0.000 0.451 801 W N 2.215 123.519 121.300 0.007 0.000 2.290 801 W HA -0.348 4.313 4.660 0.001 0.000 0.318 801 W C 2.608 179.133 176.519 0.009 0.000 1.248 801 W CA 3.092 60.442 57.345 0.009 0.000 1.263 801 W CB -0.389 29.078 29.460 0.011 0.000 1.147 801 W HN 0.056 nan 8.180 nan 0.000 0.494 802 R N 0.494 121.097 120.500 0.173 0.000 2.127 802 R HA -0.195 4.146 4.340 0.001 0.000 0.228 802 R C 2.471 178.647 176.300 -0.207 0.000 1.125 802 R CA 2.635 58.697 56.100 -0.064 0.000 0.904 802 R CB -1.081 29.313 30.300 0.158 0.000 0.831 802 R HN 0.171 nan 8.270 nan 0.000 0.431 803 R N -0.222 120.231 120.500 -0.078 0.000 2.168 803 R HA -0.206 4.135 4.340 0.001 0.000 0.242 803 R C 2.406 178.623 176.300 -0.139 0.000 1.123 803 R CA 2.196 58.247 56.100 -0.082 0.000 0.928 803 R CB -0.516 29.764 30.300 -0.034 0.000 0.873 803 R HN 0.238 nan 8.270 nan 0.000 0.434 804 R N 0.606 121.015 120.500 -0.152 0.000 2.113 804 R HA -0.182 4.159 4.340 0.001 0.000 0.244 804 R C 2.231 178.378 176.300 -0.256 0.000 1.142 804 R CA 1.673 57.671 56.100 -0.170 0.000 0.953 804 R CB -0.576 29.637 30.300 -0.144 0.000 0.860 804 R HN 0.327 nan 8.270 nan 0.000 0.438 805 Q N 0.481 120.007 119.800 -0.456 0.000 2.187 805 Q HA -0.034 4.307 4.340 0.001 0.000 0.199 805 Q C 1.843 177.655 176.000 -0.313 0.000 0.957 805 Q CA 1.123 56.632 55.803 -0.491 0.000 0.857 805 Q CB 0.042 28.211 28.738 -0.948 0.000 0.929 805 Q HN 0.418 nan 8.270 nan 0.000 0.453 806 E N -0.063 119.976 120.200 -0.270 0.000 2.160 806 E HA -0.224 4.126 4.350 0.001 0.000 0.195 806 E C 1.619 178.149 176.600 -0.117 0.000 0.991 806 E CA 1.028 57.333 56.400 -0.158 0.000 0.810 806 E CB 0.006 29.639 29.700 -0.111 0.000 0.742 806 E HN 0.201 nan 8.360 nan 0.000 0.466 807 K N 0.542 120.868 120.400 -0.122 0.000 2.243 807 K HA -0.048 4.272 4.320 0.001 0.000 0.201 807 K C 2.119 178.670 176.600 -0.081 0.000 1.051 807 K CA 0.337 56.572 56.287 -0.086 0.000 0.970 807 K CB 0.280 32.735 32.500 -0.075 0.000 0.755 807 K HN -0.139 nan 8.250 nan 0.000 0.465 808 R N 0.783 121.221 120.500 -0.103 0.000 2.092 808 R HA -0.075 4.265 4.340 0.001 0.000 0.231 808 R C 2.153 178.415 176.300 -0.064 0.000 1.119 808 R CA 0.706 56.758 56.100 -0.080 0.000 0.970 808 R CB -0.782 29.462 30.300 -0.093 0.000 0.864 808 R HN 0.231 nan 8.270 nan 0.000 0.440 809 L N 1.500 122.679 121.223 -0.074 0.000 2.017 809 L HA -0.149 4.191 4.340 0.001 0.000 0.208 809 L C 2.156 179.001 176.870 -0.042 0.000 1.073 809 L CA 1.863 56.671 54.840 -0.053 0.000 0.745 809 L CB -0.697 41.328 42.059 -0.057 0.000 0.894 809 L HN 0.004 nan 8.230 nan 0.000 0.432 810 K N -0.554 119.819 120.400 -0.045 0.000 2.127 810 K HA -0.236 4.085 4.320 0.001 0.000 0.208 810 K C 1.862 178.443 176.600 -0.031 0.000 1.047 810 K CA 2.154 58.419 56.287 -0.036 0.000 0.927 810 K CB 0.013 32.491 32.500 -0.038 0.000 0.716 810 K HN 0.561 nan 8.250 nan 0.000 0.450 811 E N -0.179 120.001 120.200 -0.034 0.000 2.102 811 E HA -0.075 4.276 4.350 0.001 0.000 0.190 811 E C 2.063 178.647 176.600 -0.025 0.000 0.971 811 E CA 0.595 56.978 56.400 -0.028 0.000 0.821 811 E CB -0.024 29.659 29.700 -0.029 0.000 0.777 811 E HN 0.202 nan 8.360 nan 0.000 0.460 812 L N 1.058 122.265 121.223 -0.027 0.000 2.083 812 L HA -0.181 4.159 4.340 0.001 0.000 0.209 812 L C 2.458 179.317 176.870 -0.019 0.000 1.083 812 L CA 1.013 55.840 54.840 -0.021 0.000 0.752 812 L CB -0.361 41.685 42.059 -0.021 0.000 0.899 812 L HN 0.191 nan 8.230 nan 0.000 0.433 813 L N -0.671 120.540 121.223 -0.020 0.000 2.109 813 L HA -0.132 4.208 4.340 0.001 0.000 0.207 813 L C 2.862 179.721 176.870 -0.019 0.000 1.086 813 L CA 0.918 55.747 54.840 -0.018 0.000 0.760 813 L CB -0.721 41.327 42.059 -0.017 0.000 0.910 813 L HN 0.220 nan 8.230 nan 0.000 0.437 814 A N 0.300 123.107 122.820 -0.021 0.000 1.978 814 A HA -0.158 4.163 4.320 0.001 0.000 0.220 814 A C 2.251 179.820 177.584 -0.024 0.000 1.170 814 A CA 1.391 53.415 52.037 -0.023 0.000 0.636 814 A CB -0.531 18.455 19.000 -0.023 0.000 0.810 814 A HN 0.362 nan 8.150 nan 0.000 0.448 815 L N -1.101 120.109 121.223 -0.023 0.000 2.044 815 L HA -0.112 4.228 4.340 0.001 0.000 0.205 815 L C 3.119 179.974 176.870 -0.025 0.000 1.075 815 L CA 0.903 55.729 54.840 -0.024 0.000 0.747 815 L CB -0.681 41.367 42.059 -0.019 0.000 0.903 815 L HN 0.405 nan 8.230 nan 0.000 0.435 816 A N -0.177 122.631 122.820 -0.020 0.000 1.927 816 A HA -0.283 4.037 4.320 0.001 0.000 0.220 816 A C 2.300 179.871 177.584 -0.023 0.000 1.185 816 A CA 2.017 54.044 52.037 -0.017 0.000 0.639 816 A CB -0.549 18.444 19.000 -0.013 0.000 0.820 816 A HN 0.432 nan 8.150 nan 0.000 0.451 817 E N 0.423 120.608 120.200 -0.025 0.000 2.023 817 E HA -0.224 4.126 4.350 0.001 0.000 0.196 817 E C 2.257 178.833 176.600 -0.040 0.000 1.003 817 E CA 1.609 57.992 56.400 -0.028 0.000 0.809 817 E CB -0.333 29.352 29.700 -0.026 0.000 0.755 817 E HN 0.691 nan 8.360 nan 0.000 0.449 818 R N 0.255 120.727 120.500 -0.047 0.000 2.096 818 R HA -0.115 4.225 4.340 0.001 0.000 0.240 818 R C 2.773 179.019 176.300 -0.090 0.000 1.139 818 R CA 1.779 57.839 56.100 -0.067 0.000 0.952 818 R CB -0.479 29.783 30.300 -0.063 0.000 0.854 818 R HN 0.088 nan 8.270 nan 0.000 0.436 819 S N 0.990 116.647 115.700 -0.072 0.000 2.351 819 S HA -0.245 4.226 4.470 0.001 0.000 0.220 819 S C 1.918 176.475 174.600 -0.070 0.000 1.035 819 S CA 1.302 59.456 58.200 -0.076 0.000 1.031 819 S CB -0.405 62.774 63.200 -0.036 0.000 0.928 819 S HN 0.351 nan 8.310 nan 0.000 0.433 820 Q N 1.960 121.735 119.800 -0.041 0.000 2.047 820 Q HA -0.262 4.078 4.340 0.001 0.000 0.211 820 Q C 2.234 178.211 176.000 -0.038 0.000 1.005 820 Q CA 1.927 57.715 55.803 -0.025 0.000 0.866 820 Q CB -0.522 28.205 28.738 -0.018 0.000 0.938 820 Q HN 0.513 nan 8.270 nan 0.000 0.414 821 R N 0.089 120.555 120.500 -0.057 0.000 2.096 821 R HA -0.160 4.181 4.340 0.001 0.000 0.240 821 R C 2.538 178.775 176.300 -0.105 0.000 1.139 821 R CA 2.074 58.135 56.100 -0.065 0.000 0.952 821 R CB -0.024 30.235 30.300 -0.069 0.000 0.854 821 R HN 0.261 nan 8.270 nan 0.000 0.436 822 K N 0.137 120.416 120.400 -0.203 0.000 1.985 822 K HA -0.119 4.201 4.320 0.001 0.000 0.210 822 K C 2.127 178.576 176.600 -0.252 0.000 1.047 822 K CA 1.255 57.282 56.287 -0.433 0.000 0.932 822 K CB -0.226 31.817 32.500 -0.762 0.000 0.716 822 K HN 0.132 nan 8.250 nan 0.000 0.439 823 L N 0.628 121.808 121.223 -0.071 0.000 2.043 823 L HA -0.182 4.158 4.340 0.001 0.000 0.212 823 L C 2.157 179.120 176.870 0.154 0.000 1.075 823 L CA 1.786 56.735 54.840 0.183 0.000 0.752 823 L CB -1.152 40.977 42.059 0.117 0.000 0.891 823 L HN 0.227 nan 8.230 nan 0.000 0.432 824 A N -1.440 121.419 122.820 0.066 0.000 2.337 824 A HA 0.093 4.414 4.320 0.001 0.000 0.227 824 A C 1.211 178.827 177.584 0.053 0.000 1.259 824 A CA 0.080 52.149 52.037 0.054 0.000 0.870 824 A CB -0.190 18.826 19.000 0.025 0.000 0.927 824 A HN 0.286 nan 8.150 nan 0.000 0.497 825 S N 1.433 117.177 115.700 0.074 0.000 2.610 825 S HA 0.498 4.969 4.470 0.001 0.000 0.273 825 S C -2.674 171.991 174.600 0.108 0.000 1.274 825 S CA -1.563 56.677 58.200 0.068 0.000 1.023 825 S CB 0.714 63.932 63.200 0.030 0.000 0.962 825 S HN 0.301 nan 8.310 nan 0.000 0.523 826 P HA 0.286 nan 4.420 nan 0.000 0.276 826 P C 0.781 178.132 177.300 0.085 0.000 1.235 826 P CA 0.406 63.545 63.100 0.067 0.000 0.772 826 P CB 0.699 32.424 31.700 0.041 0.000 0.871 827 G N 3.224 112.066 108.800 0.071 0.000 2.320 827 G HA2 -0.393 3.567 3.960 0.001 0.000 0.242 827 G HA3 -0.393 3.567 3.960 0.001 0.000 0.242 827 G C 0.614 175.562 174.900 0.081 0.000 1.033 827 G CA 0.337 45.474 45.100 0.061 0.000 0.620 827 G HN 0.490 nan 8.290 nan 0.000 0.517 828 F N 2.054 122.005 119.950 0.001 0.000 2.098 828 F HA 0.230 4.757 4.527 0.001 0.000 0.294 828 F C 2.691 178.492 175.800 0.001 0.000 1.107 828 F CA 2.104 60.104 58.000 0.001 0.000 1.234 828 F CB -0.290 38.710 39.000 0.001 0.000 1.002 828 F HN 0.058 nan 8.300 nan 0.000 0.472 829 R N 0.672 121.137 120.500 -0.059 0.000 2.103 829 R HA -0.177 4.163 4.340 0.001 0.000 0.242 829 R C 1.786 177.975 176.300 -0.185 0.000 1.142 829 R CA 2.046 58.059 56.100 -0.145 0.000 0.960 829 R CB -0.635 29.670 30.300 0.009 0.000 0.858 829 R HN 0.440 nan 8.270 nan 0.000 0.439 830 E N 0.393 120.524 120.200 -0.115 0.000 2.033 830 E HA 0.003 4.354 4.350 0.001 0.000 0.197 830 E C 0.411 176.945 176.600 -0.109 0.000 0.955 830 E CA 0.586 56.932 56.400 -0.091 0.000 0.855 830 E CB -0.238 29.437 29.700 -0.042 0.000 0.841 830 E HN -0.043 nan 8.360 nan 0.000 0.476 831 K N 1.631 121.986 120.400 -0.075 0.000 2.199 831 K HA 0.523 4.843 4.320 0.001 0.000 0.226 831 K C -0.559 175.989 176.600 -0.087 0.000 1.237 831 K CA 0.023 56.274 56.287 -0.060 0.000 1.170 831 K CB -0.536 31.951 32.500 -0.022 0.000 1.418 831 K HN 0.224 nan 8.250 nan 0.000 0.255 832 A N 1.794 124.524 122.820 -0.149 0.000 2.583 832 A HA 0.436 4.757 4.320 0.001 0.000 0.298 832 A C -2.927 174.544 177.584 -0.188 0.000 1.055 832 A CA -1.357 50.570 52.037 -0.184 0.000 0.714 832 A CB 0.793 19.569 19.000 -0.374 0.000 1.277 832 A HN 0.188 nan 8.150 nan 0.000 0.406 833 P HA -0.088 nan 4.420 nan 0.000 0.260 833 P C 0.565 177.804 177.300 -0.101 0.000 1.147 833 P CA 0.381 63.434 63.100 -0.079 0.000 0.758 833 P CB 0.556 32.234 31.700 -0.036 0.000 0.744 834 K N 3.789 124.144 120.400 -0.074 0.000 2.643 834 K HA -0.140 4.180 4.320 0.001 0.000 0.193 834 K C 0.917 177.491 176.600 -0.044 0.000 1.027 834 K CA 1.217 57.464 56.287 -0.066 0.000 1.033 834 K CB -0.018 32.455 32.500 -0.045 0.000 0.827 834 K HN 0.542 nan 8.250 nan 0.000 0.500 835 E N 0.157 120.335 120.200 -0.036 0.000 2.629 835 E HA -0.017 4.333 4.350 0.001 0.000 0.197 835 E C 1.478 178.084 176.600 0.011 0.000 0.955 835 E CA 0.014 56.410 56.400 -0.008 0.000 1.191 835 E CB 0.277 29.977 29.700 0.001 0.000 1.175 835 E HN -0.000 nan 8.360 nan 0.000 0.501 836 V N 1.347 121.272 119.914 0.018 0.000 2.794 836 V HA -0.158 3.963 4.120 0.001 0.000 0.260 836 V C 1.966 178.142 176.094 0.138 0.000 1.103 836 V CA 1.724 64.071 62.300 0.078 0.000 1.125 836 V CB 0.126 32.007 31.823 0.098 0.000 0.702 836 V HN 0.316 nan 8.190 nan 0.000 0.494 837 V N 0.826 120.745 119.914 0.008 0.000 2.374 837 V HA -0.068 4.052 4.120 0.001 0.000 0.241 837 V C 2.404 178.544 176.094 0.075 0.000 1.034 837 V CA 1.916 64.208 62.300 -0.013 0.000 1.037 837 V CB -0.043 31.586 31.823 -0.323 0.000 0.682 837 V HN 0.836 nan 8.190 nan 0.000 0.463 838 E N 1.521 121.733 120.200 0.021 0.000 2.333 838 E HA -0.041 4.309 4.350 0.001 0.000 0.198 838 E C 1.805 178.434 176.600 0.049 0.000 1.007 838 E CA 1.654 58.073 56.400 0.031 0.000 0.845 838 E CB -0.764 28.942 29.700 0.010 0.000 0.766 838 E HN 0.596 nan 8.360 nan 0.000 0.507 839 A N 1.000 123.857 122.820 0.062 0.000 1.878 839 A HA -0.066 4.255 4.320 0.001 0.000 0.213 839 A C 2.192 179.820 177.584 0.073 0.000 1.192 839 A CA 1.156 53.229 52.037 0.059 0.000 0.619 839 A CB -0.516 18.518 19.000 0.058 0.000 0.837 839 A HN 0.198 nan 8.150 nan 0.000 0.446 840 E N 0.230 120.501 120.200 0.117 0.000 2.209 840 E HA -0.210 4.140 4.350 0.001 0.000 0.196 840 E C 1.809 178.460 176.600 0.084 0.000 0.993 840 E CA 1.568 58.032 56.400 0.107 0.000 0.819 840 E CB -0.186 29.624 29.700 0.184 0.000 0.745 840 E HN 0.737 nan 8.360 nan 0.000 0.477 841 E N -1.223 119.035 120.200 0.097 0.000 2.158 841 E HA -0.066 4.284 4.350 0.001 0.000 0.191 841 E C 1.712 178.338 176.600 0.043 0.000 0.982 841 E CA 0.789 57.232 56.400 0.070 0.000 0.823 841 E CB -0.067 29.674 29.700 0.069 0.000 0.766 841 E HN 0.312 nan 8.360 nan 0.000 0.468 842 A N 0.780 123.624 122.820 0.040 0.000 1.975 842 A HA -0.015 4.305 4.320 0.001 0.000 0.215 842 A C 2.022 179.619 177.584 0.022 0.000 1.170 842 A CA 0.508 52.561 52.037 0.027 0.000 0.656 842 A CB -0.163 18.852 19.000 0.025 0.000 0.821 842 A HN 0.101 nan 8.150 nan 0.000 0.449 843 R N -0.938 119.576 120.500 0.024 0.000 2.081 843 R HA -0.115 4.225 4.340 0.001 0.000 0.235 843 R C 2.065 178.371 176.300 0.010 0.000 1.131 843 R CA 1.480 57.589 56.100 0.015 0.000 0.960 843 R CB -0.561 29.747 30.300 0.014 0.000 0.856 843 R HN 0.472 nan 8.270 nan 0.000 0.436 844 L N 1.644 122.874 121.223 0.012 0.000 1.994 844 L HA -0.203 4.138 4.340 0.001 0.000 0.208 844 L C 2.315 179.190 176.870 0.009 0.000 1.071 844 L CA 1.900 56.745 54.840 0.008 0.000 0.745 844 L CB -0.497 41.569 42.059 0.012 0.000 0.892 844 L HN -0.065 nan 8.230 nan 0.000 0.431 845 K N 0.444 120.851 120.400 0.013 0.000 2.071 845 K HA -0.288 4.033 4.320 0.001 0.000 0.217 845 K C 1.881 178.486 176.600 0.008 0.000 1.054 845 K CA 2.510 58.804 56.287 0.011 0.000 0.937 845 K CB -0.408 32.100 32.500 0.013 0.000 0.719 845 K HN 0.738 nan 8.250 nan 0.000 0.454 846 E N -1.496 118.708 120.200 0.007 0.000 2.447 846 E HA -0.011 4.339 4.350 0.001 0.000 0.195 846 E C 1.244 177.845 176.600 0.002 0.000 1.028 846 E CA 0.239 56.641 56.400 0.005 0.000 0.876 846 E CB -0.054 29.648 29.700 0.004 0.000 0.885 846 E HN 0.224 nan 8.360 nan 0.000 0.500 847 N N 0.955 119.655 118.700 0.001 0.000 2.309 847 N HA -0.051 4.689 4.740 0.001 0.000 0.182 847 N C 1.552 177.060 175.510 -0.003 0.000 1.018 847 N CA 0.681 53.730 53.050 -0.003 0.000 0.876 847 N CB 0.049 38.533 38.487 -0.005 0.000 0.972 847 N HN 0.234 nan 8.380 nan 0.000 0.434 848 L N 1.521 122.744 121.223 0.000 0.000 2.068 848 L HA 0.013 4.354 4.340 0.001 0.000 0.204 848 L C 2.013 178.885 176.870 0.004 0.000 1.076 848 L CA 1.147 55.988 54.840 0.002 0.000 0.753 848 L CB -1.154 40.907 42.059 0.003 0.000 0.910 848 L HN 0.200 nan 8.230 nan 0.000 0.439 849 E N -0.137 120.066 120.200 0.006 0.000 2.114 849 E HA -0.294 4.057 4.350 0.001 0.000 0.199 849 E C 2.096 178.702 176.600 0.010 0.000 1.008 849 E CA 1.537 57.942 56.400 0.008 0.000 0.810 849 E CB -0.082 29.622 29.700 0.007 0.000 0.739 849 E HN 0.608 nan 8.360 nan 0.000 0.456 850 Q N 0.160 119.963 119.800 0.006 0.000 2.020 850 Q HA -0.073 4.268 4.340 0.001 0.000 0.198 850 Q C 2.372 178.375 176.000 0.005 0.000 0.974 850 Q CA 1.041 56.848 55.803 0.006 0.000 0.829 850 Q CB -0.215 28.523 28.738 0.000 0.000 0.894 850 Q HN 0.246 nan 8.270 nan 0.000 0.433 851 A N 1.493 124.312 122.820 -0.001 0.000 1.927 851 A HA -0.315 4.006 4.320 0.001 0.000 0.220 851 A C 2.007 179.593 177.584 0.003 0.000 1.185 851 A CA 2.026 54.059 52.037 -0.005 0.000 0.639 851 A CB -0.597 18.399 19.000 -0.007 0.000 0.820 851 A HN 0.362 nan 8.150 nan 0.000 0.451 852 E N 0.036 120.241 120.200 0.009 0.000 2.031 852 E HA -0.177 4.173 4.350 0.001 0.000 0.193 852 E C 2.146 178.762 176.600 0.028 0.000 0.994 852 E CA 1.640 58.050 56.400 0.017 0.000 0.800 852 E CB -0.359 29.351 29.700 0.017 0.000 0.752 852 E HN 0.575 nan 8.360 nan 0.000 0.447 853 R N -0.029 120.489 120.500 0.031 0.000 2.115 853 R HA -0.174 4.167 4.340 0.001 0.000 0.239 853 R C 2.596 178.934 176.300 0.063 0.000 1.133 853 R CA 2.060 58.189 56.100 0.048 0.000 0.935 853 R CB -0.666 29.662 30.300 0.046 0.000 0.853 853 R HN 0.314 nan 8.270 nan 0.000 0.433 854 I N 0.024 120.619 120.570 0.041 0.000 2.076 854 I HA -0.344 3.826 4.170 0.001 0.000 0.237 854 I C 2.826 178.967 176.117 0.039 0.000 1.059 854 I CA 1.290 62.608 61.300 0.031 0.000 1.317 854 I CB -0.511 37.470 38.000 -0.032 0.000 1.037 854 I HN 0.251 nan 8.210 nan 0.000 0.398 855 R N 1.052 121.562 120.500 0.017 0.000 2.162 855 R HA -0.314 4.027 4.340 0.001 0.000 0.245 855 R C 2.314 178.644 176.300 0.051 0.000 1.129 855 R CA 2.519 58.632 56.100 0.022 0.000 0.940 855 R CB -0.601 29.708 30.300 0.015 0.000 0.875 855 R HN 0.395 nan 8.270 nan 0.000 0.437 856 E N -0.010 120.224 120.200 0.057 0.000 2.058 856 E HA -0.192 4.158 4.350 0.001 0.000 0.194 856 E C 1.748 178.408 176.600 0.100 0.000 0.997 856 E CA 1.582 58.021 56.400 0.065 0.000 0.801 856 E CB -0.157 29.576 29.700 0.055 0.000 0.746 856 E HN 0.509 nan 8.360 nan 0.000 0.450 857 A N 1.319 124.224 122.820 0.142 0.000 1.855 857 A HA -0.155 4.165 4.320 0.001 0.000 0.215 857 A C 2.239 180.026 177.584 0.337 0.000 1.191 857 A CA 1.286 53.461 52.037 0.230 0.000 0.613 857 A CB -0.807 18.388 19.000 0.326 0.000 0.829 857 A HN 0.338 nan 8.150 nan 0.000 0.442 858 L N 0.866 122.270 121.223 0.302 0.000 2.089 858 L HA -0.208 4.132 4.340 0.001 0.000 0.213 858 L C 2.848 179.839 176.870 0.201 0.000 1.079 858 L CA 2.767 57.757 54.840 0.249 0.000 0.758 858 L CB -0.767 41.304 42.059 0.019 0.000 0.891 858 L HN 0.602 nan 8.230 nan 0.000 0.433 859 S N -2.114 113.664 115.700 0.130 0.000 2.341 859 S HA -0.217 4.254 4.470 0.001 0.000 0.216 859 S C 1.965 176.619 174.600 0.090 0.000 1.034 859 S CA 0.777 59.031 58.200 0.091 0.000 0.964 859 S CB -0.623 62.612 63.200 0.059 0.000 0.882 859 S HN 0.427 nan 8.310 nan 0.000 0.469 860 Q N 0.856 120.706 119.800 0.084 0.000 2.182 860 Q HA -0.067 4.273 4.340 0.001 0.000 0.213 860 Q C 0.314 176.341 176.000 0.045 0.000 1.000 860 Q CA 1.166 57.002 55.803 0.055 0.000 0.889 860 Q CB -0.692 28.076 28.738 0.049 0.000 0.932 860 Q HN 0.557 nan 8.270 nan 0.000 0.415 861 I N 1.415 122.030 120.570 0.076 0.000 2.664 861 I HA -0.007 4.164 4.170 0.001 0.000 0.284 861 I C 1.182 177.329 176.117 0.050 0.000 1.154 861 I CA 0.693 62.013 61.300 0.033 0.000 1.402 861 I CB -0.466 37.568 38.000 0.058 0.000 1.395 861 I HN 0.284 nan 8.210 nan 0.000 0.545 862 G N 0.000 108.808 108.800 0.013 0.000 5.446 862 G HA2 0.000 3.960 3.960 0.001 0.000 0.244 862 G HA3 0.000 3.960 3.960 0.001 0.000 0.244 862 G CA 0.000 45.111 45.100 0.018 0.000 0.502 862 G HN 0.000 nan 8.290 nan 0.000 0.925