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 1cxk_1_A DATA FIRST_RESID 1 DATA SEQUENCE APDTSVSNKQ NFSTDVIYQI FTDRFSDGNP ANNPTGAAFD GTcTNLRLYc DATA SEQUENCE GGDWQGIINK INDGYLTGMG VTAIWISQPV ENIYSIINYS GVNNTAYHGY DATA SEQUENCE WARDFKKTNP AYGTIADFQN LIAAAHAKNI KVIIDFAPNH TSPASSDQPS DATA SEQUENCE FAENGRLYDN GTLLGGYTND TQNLFHHNGG TDFSTTENGI YKNLYDLADL DATA SEQUENCE NHNNSTVDVY LKDAIKMWLD LGIDGIRMNA VKHMPFGWQK SFMAAVNNYK DATA SEQUENCE PVFTFGQWFL GVNEVSPENH KFANESGMSL LDFRFAQKVR QVFRDNTDNM DATA SEQUENCE YGLKAMLEGS AADYAQVDDQ VTFIDNHDME RFHASNANRR KLEQALAFTL DATA SEQUENCE TSRGVPAIYY GTEQYMSGGT DPDNRARIPS FSTSTTAYQV IQKLAPLRKC DATA SEQUENCE NPAIAYGSTQ ERWINNDVLI YERKFGSNVA VVAVNRNLNA PASISGLVTS DATA SEQUENCE LPQGSYNDVL GGLLNGNTLS VGSGGAASNF TLAAGGTAVW QYTAATATPT DATA SEQUENCE IGHVGPMMAK PGVTITIDGR GFGSSKGTVY FGTTAVSGAD ITSWEDTQIK DATA SEQUENCE VKIPAVAGGN YNIKVANAAG TASNVYDNFE VLSGDQVSVR FVVNNATTAL DATA SEQUENCE GQNVYLTGSV SELGNWDPAK AIGPMYNQVV YQYPNWYYDV SVPAGKTIEF DATA SEQUENCE KFLKKQGSTV TWEGGSNHTF TAPSSGTATI NVNWQP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.564 177.584 -0.033 0.000 1.274 1 A CA 0.000 52.017 52.037 -0.033 0.000 0.836 1 A CB 0.000 18.970 19.000 -0.050 0.000 0.831 2 P HA 0.321 nan 4.420 nan 0.000 0.279 2 P C -0.028 177.238 177.300 -0.057 0.000 1.276 2 P CA 0.018 63.092 63.100 -0.044 0.000 0.801 2 P CB 0.515 32.186 31.700 -0.049 0.000 1.127 3 D N -0.856 119.514 120.400 -0.049 0.000 2.221 3 D HA -0.160 4.480 4.640 -0.000 0.000 0.204 3 D C 1.112 177.356 176.300 -0.094 0.000 0.982 3 D CA 1.979 55.950 54.000 -0.049 0.000 0.857 3 D CB -1.515 39.287 40.800 0.004 0.000 0.934 3 D HN 0.457 nan 8.370 nan 0.000 0.475 4 T N -2.777 111.714 114.554 -0.105 0.000 3.148 4 T HA 0.046 4.396 4.350 -0.000 0.000 0.253 4 T C 1.038 175.646 174.700 -0.154 0.000 1.134 4 T CA -0.018 61.994 62.100 -0.145 0.000 1.051 4 T CB -0.273 68.515 68.868 -0.134 0.000 0.959 4 T HN 0.147 nan 8.240 nan 0.000 0.525 5 S N 0.583 116.203 115.700 -0.133 0.000 2.563 5 S HA 0.113 4.583 4.470 -0.000 0.000 0.284 5 S C 1.470 175.963 174.600 -0.177 0.000 1.331 5 S CA -0.269 57.851 58.200 -0.134 0.000 1.047 5 S CB 1.075 64.210 63.200 -0.109 0.000 0.859 5 S HN 0.257 nan 8.310 nan 0.000 0.514 6 V N 4.572 124.381 119.914 -0.175 0.000 2.867 6 V HA -0.076 4.044 4.120 -0.000 0.000 0.260 6 V C 2.231 178.171 176.094 -0.257 0.000 1.099 6 V CA 2.513 64.685 62.300 -0.213 0.000 1.122 6 V CB -0.888 30.830 31.823 -0.176 0.000 0.708 6 V HN 1.043 nan 8.190 nan 0.000 0.490 7 S N 0.019 115.589 115.700 -0.217 0.000 2.522 7 S HA -0.030 4.440 4.470 -0.000 0.000 0.227 7 S C 1.195 175.707 174.600 -0.147 0.000 0.986 7 S CA 0.558 58.639 58.200 -0.198 0.000 0.929 7 S CB -0.717 62.394 63.200 -0.148 0.000 0.769 7 S HN 0.630 nan 8.310 nan 0.000 0.529 8 N N 2.581 121.185 118.700 -0.160 0.000 2.549 8 N HA 0.141 4.881 4.740 -0.000 0.000 0.267 8 N C 0.310 175.750 175.510 -0.116 0.000 1.182 8 N CA 0.029 53.002 53.050 -0.128 0.000 1.019 8 N CB 0.228 38.625 38.487 -0.150 0.000 1.380 8 N HN 0.477 nan 8.380 nan 0.000 0.505 9 K N 1.530 121.926 120.400 -0.007 0.000 2.525 9 K HA -0.033 4.287 4.320 -0.000 0.000 0.192 9 K C 0.610 177.374 176.600 0.272 0.000 1.029 9 K CA 0.622 56.995 56.287 0.142 0.000 1.029 9 K CB 0.423 33.017 32.500 0.157 0.000 0.814 9 K HN 0.383 nan 8.250 nan 0.000 0.503 10 Q N 0.231 120.138 119.800 0.179 0.000 2.356 10 Q HA 0.092 4.432 4.340 -0.000 0.000 0.205 10 Q C -0.401 175.764 176.000 0.275 0.000 0.901 10 Q CA 0.199 56.165 55.803 0.271 0.000 0.938 10 Q CB 0.513 29.378 28.738 0.212 0.000 1.081 10 Q HN 0.100 nan 8.270 nan 0.000 0.517 11 N N -0.751 117.970 118.700 0.034 0.000 2.371 11 N HA 0.204 4.944 4.740 -0.000 0.000 0.291 11 N C -1.372 173.894 175.510 -0.405 0.000 1.053 11 N CA -0.348 52.522 53.050 -0.300 0.000 0.870 11 N CB 0.597 38.828 38.487 -0.427 0.000 1.503 11 N HN -0.135 nan 8.380 nan 0.000 0.485 12 F N 1.145 120.618 119.950 -0.796 0.000 2.688 12 F HA 0.312 4.839 4.527 -0.000 0.000 0.310 12 F C 1.830 177.321 175.800 -0.515 0.000 1.098 12 F CA -0.118 57.495 58.000 -0.645 0.000 1.228 12 F CB 0.431 38.932 39.000 -0.833 0.000 1.042 12 F HN 0.442 nan 8.300 nan 0.000 0.557 13 S N -0.537 114.931 115.700 -0.386 0.000 2.419 13 S HA -0.170 4.300 4.470 -0.000 0.000 0.233 13 S C 2.173 176.554 174.600 -0.366 0.000 1.016 13 S CA 1.883 59.888 58.200 -0.326 0.000 0.974 13 S CB -0.510 62.539 63.200 -0.252 0.000 0.786 13 S HN 0.536 nan 8.310 nan 0.000 0.492 14 T N -0.691 113.632 114.554 -0.386 0.000 3.107 14 T HA 0.145 4.495 4.350 -0.000 0.000 0.249 14 T C 0.176 174.712 174.700 -0.273 0.000 1.096 14 T CA -0.182 61.698 62.100 -0.367 0.000 1.012 14 T CB 0.008 68.664 68.868 -0.354 0.000 0.977 14 T HN 0.093 nan 8.240 nan 0.000 0.527 15 D N 0.655 120.907 120.400 -0.246 0.000 2.440 15 D HA 0.537 5.177 4.640 -0.000 0.000 0.258 15 D C -0.897 175.344 176.300 -0.099 0.000 1.092 15 D CA -0.509 53.388 54.000 -0.173 0.000 1.016 15 D CB 2.430 43.119 40.800 -0.186 0.000 1.141 15 D HN 0.004 nan 8.370 nan 0.000 0.552 16 V N 1.706 121.593 119.914 -0.045 0.000 2.447 16 V HA 0.288 4.408 4.120 -0.000 0.000 0.292 16 V C 0.079 176.223 176.094 0.083 0.000 1.021 16 V CA -0.617 61.680 62.300 -0.005 0.000 0.850 16 V CB 1.466 33.267 31.823 -0.036 0.000 1.005 16 V HN 0.349 nan 8.190 nan 0.000 0.426 17 I N 4.583 125.236 120.570 0.137 0.000 2.474 17 I HA 0.297 4.467 4.170 -0.000 0.000 0.287 17 I C -0.769 175.507 176.117 0.265 0.000 1.048 17 I CA -0.408 61.032 61.300 0.234 0.000 1.383 17 I CB 0.802 38.962 38.000 0.266 0.000 1.412 17 I HN 0.579 nan 8.210 nan 0.000 0.531 18 Y N 6.007 126.387 120.300 0.132 0.000 2.345 18 Y HA 0.219 4.768 4.550 -0.000 0.000 0.331 18 Y C 0.037 175.983 175.900 0.077 0.000 0.959 18 Y CA -0.577 57.571 58.100 0.079 0.000 1.204 18 Y CB 0.941 39.414 38.460 0.022 0.000 1.135 18 Y HN 0.493 nan 8.280 nan 0.000 0.477 19 Q N 7.069 126.721 119.800 -0.247 0.000 2.307 19 Q HA 0.360 4.700 4.340 -0.000 0.000 0.261 19 Q C -1.175 174.582 176.000 -0.405 0.000 1.051 19 Q CA -0.071 55.522 55.803 -0.350 0.000 0.911 19 Q CB 0.381 28.817 28.738 -0.503 0.000 1.227 19 Q HN 0.757 nan 8.270 nan 0.000 0.418 20 I N 4.215 124.562 120.570 -0.371 0.000 2.354 20 I HA 0.191 4.361 4.170 -0.000 0.000 0.292 20 I C -0.593 175.326 176.117 -0.329 0.000 0.989 20 I CA -0.729 60.332 61.300 -0.399 0.000 1.188 20 I CB 0.914 38.663 38.000 -0.419 0.000 1.342 20 I HN 0.580 nan 8.210 nan 0.000 0.457 21 F N 5.793 125.394 119.950 -0.582 0.000 2.451 21 F HA 0.148 4.675 4.527 -0.000 0.000 0.356 21 F C 1.704 177.288 175.800 -0.359 0.000 1.178 21 F CA -0.042 57.718 58.000 -0.400 0.000 1.210 21 F CB 0.342 39.164 39.000 -0.297 0.000 1.504 21 F HN 0.561 nan 8.300 nan 0.000 0.598 22 T N 1.188 115.541 114.554 -0.335 0.000 2.635 22 T HA -0.381 3.969 4.350 -0.000 0.000 0.265 22 T C 1.677 176.324 174.700 -0.088 0.000 1.058 22 T CA 2.286 64.217 62.100 -0.282 0.000 1.162 22 T CB -0.316 68.147 68.868 -0.676 0.000 0.859 22 T HN 0.580 nan 8.240 nan 0.000 0.449 23 D N 0.318 120.716 120.400 -0.003 0.000 2.218 23 D HA -0.086 4.554 4.640 -0.000 0.000 0.204 23 D C 1.933 178.328 176.300 0.158 0.000 0.976 23 D CA 0.716 54.832 54.000 0.193 0.000 0.853 23 D CB 0.122 41.114 40.800 0.319 0.000 0.939 23 D HN 0.168 nan 8.370 nan 0.000 0.481 24 R N -0.729 119.839 120.500 0.114 0.000 2.432 24 R HA 0.111 4.450 4.340 -0.000 0.000 0.260 24 R C 0.792 177.121 176.300 0.049 0.000 0.935 24 R CA -0.166 55.970 56.100 0.059 0.000 1.080 24 R CB -0.236 30.101 30.300 0.062 0.000 1.155 24 R HN 0.271 nan 8.270 nan 0.000 0.531 25 F N 0.574 120.464 119.950 -0.101 0.000 2.287 25 F HA 0.267 4.793 4.527 -0.000 0.000 0.276 25 F C 0.345 176.239 175.800 0.157 0.000 1.047 25 F CA 0.297 58.300 58.000 0.004 0.000 1.194 25 F CB 0.385 39.381 39.000 -0.007 0.000 1.118 25 F HN -0.189 nan 8.300 nan 0.000 0.556 26 S N 0.015 115.787 115.700 0.121 0.000 2.626 26 S HA 0.203 4.673 4.470 -0.000 0.000 0.275 26 S C -1.853 172.801 174.600 0.090 0.000 1.175 26 S CA -0.817 57.403 58.200 0.035 0.000 0.982 26 S CB 0.623 63.754 63.200 -0.115 0.000 1.093 26 S HN 0.244 nan 8.310 nan 0.000 0.472 27 D N 3.696 124.149 120.400 0.087 0.000 2.435 27 D HA 0.386 5.026 4.640 -0.000 0.000 0.230 27 D C 1.217 177.559 176.300 0.070 0.000 1.215 27 D CA 0.112 54.171 54.000 0.098 0.000 0.947 27 D CB 0.427 41.301 40.800 0.124 0.000 1.048 27 D HN 0.671 nan 8.370 nan 0.000 0.512 28 G N 3.145 111.987 108.800 0.070 0.000 2.880 28 G HA2 -0.106 3.854 3.960 -0.000 0.000 0.209 28 G HA3 -0.106 3.854 3.960 -0.000 0.000 0.209 28 G C 0.644 175.573 174.900 0.048 0.000 1.157 28 G CA -0.287 44.845 45.100 0.053 0.000 0.779 28 G HN 0.470 nan 8.290 nan 0.000 0.539 29 N N -0.241 118.487 118.700 0.047 0.000 2.675 29 N HA 0.289 5.029 4.740 -0.000 0.000 0.254 29 N C -2.160 173.352 175.510 0.004 0.000 1.224 29 N CA -1.833 51.233 53.050 0.027 0.000 0.777 29 N CB 2.002 40.508 38.487 0.032 0.000 1.256 29 N HN -0.215 nan 8.380 nan 0.000 0.531 30 P HA -0.068 nan 4.420 nan 0.000 0.221 30 P C 1.001 178.250 177.300 -0.086 0.000 1.145 30 P CA 0.841 63.922 63.100 -0.033 0.000 0.795 30 P CB 0.252 31.944 31.700 -0.014 0.000 0.775 31 A N 0.930 123.713 122.820 -0.061 0.000 2.019 31 A HA -0.192 4.128 4.320 -0.000 0.000 0.219 31 A C 1.787 179.311 177.584 -0.100 0.000 1.164 31 A CA 1.844 53.836 52.037 -0.075 0.000 0.644 31 A CB -1.372 17.601 19.000 -0.045 0.000 0.805 31 A HN 0.352 nan 8.150 nan 0.000 0.449 32 N N -0.382 118.260 118.700 -0.095 0.000 2.280 32 N HA 0.012 4.752 4.740 -0.000 0.000 0.192 32 N C -0.481 174.920 175.510 -0.182 0.000 1.109 32 N CA -0.279 52.700 53.050 -0.118 0.000 0.855 32 N CB -0.545 37.892 38.487 -0.084 0.000 0.974 32 N HN 0.182 nan 8.380 nan 0.000 0.482 33 N N 2.257 120.820 118.700 -0.228 0.000 2.454 33 N HA 0.160 4.899 4.740 -0.000 0.000 0.254 33 N C -2.285 172.961 175.510 -0.440 0.000 1.228 33 N CA -0.795 52.033 53.050 -0.370 0.000 0.900 33 N CB 0.125 38.217 38.487 -0.658 0.000 1.089 33 N HN 0.231 nan 8.380 nan 0.000 0.449 34 P HA 0.140 nan 4.420 nan 0.000 0.272 34 P C -0.031 177.086 177.300 -0.305 0.000 1.230 34 P CA -0.226 62.688 63.100 -0.310 0.000 0.788 34 P CB 0.471 31.991 31.700 -0.300 0.000 0.949 35 T N -2.800 111.663 114.554 -0.151 0.000 2.927 35 T HA 0.672 5.022 4.350 -0.000 0.000 0.286 35 T C 0.647 175.371 174.700 0.039 0.000 1.040 35 T CA -0.016 62.027 62.100 -0.095 0.000 1.010 35 T CB 1.136 69.939 68.868 -0.109 0.000 1.177 35 T HN 0.711 nan 8.240 nan 0.000 0.546 36 G N 0.964 109.801 108.800 0.062 0.000 2.574 36 G HA2 -0.081 3.879 3.960 -0.000 0.000 0.286 36 G HA3 -0.081 3.879 3.960 -0.000 0.000 0.286 36 G C 1.198 176.174 174.900 0.126 0.000 1.212 36 G CA 0.753 45.902 45.100 0.082 0.000 0.979 36 G HN 1.843 nan 8.290 nan 0.000 0.557 37 A N -0.235 122.642 122.820 0.096 0.000 2.225 37 A HA 0.427 4.747 4.320 -0.000 0.000 0.215 37 A C 2.563 180.226 177.584 0.132 0.000 1.164 37 A CA 2.453 54.548 52.037 0.098 0.000 0.710 37 A CB -0.593 18.449 19.000 0.071 0.000 0.780 37 A HN 2.209 nan 8.150 nan 0.000 0.473 38 A N -2.057 120.867 122.820 0.173 0.000 2.275 38 A HA 0.527 4.847 4.320 -0.000 0.000 0.212 38 A C 0.186 177.974 177.584 0.340 0.000 1.201 38 A CA -0.037 52.143 52.037 0.240 0.000 0.843 38 A CB -0.173 18.973 19.000 0.243 0.000 0.873 38 A HN 0.491 nan 8.150 nan 0.000 0.492 39 F N -0.516 119.492 119.950 0.096 0.000 2.565 39 F HA 0.593 5.120 4.527 -0.000 0.000 0.313 39 F C -1.698 174.135 175.800 0.055 0.000 1.091 39 F CA -1.310 56.744 58.000 0.090 0.000 0.915 39 F CB 1.941 40.974 39.000 0.056 0.000 1.208 39 F HN -0.035 nan 8.300 nan 0.000 0.453 40 D N 3.171 123.081 120.400 -0.816 0.000 2.330 40 D HA 0.271 4.911 4.640 -0.000 0.000 0.249 40 D C 0.890 176.637 176.300 -0.921 0.000 1.306 40 D CA 0.003 53.626 54.000 -0.628 0.000 0.956 40 D CB 1.217 41.842 40.800 -0.292 0.000 1.261 40 D HN 0.718 nan 8.370 nan 0.000 0.544 41 G N 1.795 110.068 108.800 -0.879 0.000 2.450 41 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.220 41 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.220 41 G C 1.372 176.154 174.900 -0.197 0.000 1.130 41 G CA 1.596 46.453 45.100 -0.406 0.000 0.760 41 G HN 0.551 nan 8.290 nan 0.000 0.557 42 T N -3.630 110.822 114.554 -0.170 0.000 3.055 42 T HA -0.016 4.334 4.350 -0.000 0.000 0.265 42 T C 1.388 176.016 174.700 -0.120 0.000 1.111 42 T CA 0.858 62.896 62.100 -0.104 0.000 1.118 42 T CB -0.630 68.195 68.868 -0.072 0.000 0.909 42 T HN 0.699 nan 8.240 nan 0.000 0.501 43 c N 1.451 119.941 118.600 -0.183 0.000 4.454 43 c HA -0.199 4.371 4.570 -0.000 0.000 0.298 43 c C 1.610 175.628 174.090 -0.120 0.000 1.384 43 c CA 0.915 57.146 56.329 -0.163 0.000 2.002 43 c CB -2.673 39.766 42.510 -0.118 0.000 1.249 43 c HN 0.797 nan 8.230 nan 0.000 0.783 44 T N -0.408 114.078 114.554 -0.113 0.000 2.976 44 T HA -0.023 4.327 4.350 -0.000 0.000 0.257 44 T C 0.794 175.448 174.700 -0.077 0.000 1.051 44 T CA 1.254 63.307 62.100 -0.077 0.000 1.141 44 T CB -0.183 68.650 68.868 -0.058 0.000 0.881 44 T HN 0.681 nan 8.240 nan 0.000 0.461 45 N N 2.168 120.810 118.700 -0.096 0.000 2.521 45 N HA 0.160 4.900 4.740 -0.000 0.000 0.236 45 N C 0.598 176.024 175.510 -0.139 0.000 1.067 45 N CA -0.201 52.797 53.050 -0.085 0.000 0.939 45 N CB 0.182 38.632 38.487 -0.062 0.000 1.201 45 N HN 0.270 nan 8.380 nan 0.000 0.511 46 L N 2.510 123.656 121.223 -0.130 0.000 2.642 46 L HA -0.009 4.331 4.340 -0.000 0.000 0.236 46 L C 1.560 178.228 176.870 -0.336 0.000 1.169 46 L CA 0.618 55.333 54.840 -0.207 0.000 0.851 46 L CB -0.081 41.908 42.059 -0.116 0.000 0.968 46 L HN 0.371 nan 8.230 nan 0.000 0.453 47 R N -0.852 119.527 120.500 -0.202 0.000 2.397 47 R HA 0.305 4.645 4.340 -0.000 0.000 0.241 47 R C 0.181 176.423 176.300 -0.096 0.000 0.914 47 R CA -0.064 55.988 56.100 -0.081 0.000 1.071 47 R CB 0.482 30.856 30.300 0.124 0.000 1.116 47 R HN 0.235 nan 8.270 nan 0.000 0.524 48 L N -0.566 120.534 121.223 -0.204 0.000 2.335 48 L HA 0.405 4.745 4.340 -0.000 0.000 0.268 48 L C -0.268 176.504 176.870 -0.164 0.000 1.016 48 L CA -1.307 53.485 54.840 -0.081 0.000 0.805 48 L CB 0.479 42.524 42.059 -0.023 0.000 1.311 48 L HN -0.112 nan 8.230 nan 0.000 0.456 49 Y N -0.896 119.415 120.300 0.018 0.000 2.425 49 Y HA 0.009 4.559 4.550 -0.000 0.000 0.331 49 Y C 0.893 176.748 175.900 -0.074 0.000 1.157 49 Y CA -0.102 58.052 58.100 0.090 0.000 1.372 49 Y CB 0.881 39.499 38.460 0.264 0.000 1.253 49 Y HN 0.540 nan 8.280 nan 0.000 0.536 50 c N 0.706 119.366 118.600 0.100 0.000 2.865 50 c HA 0.325 4.895 4.570 -0.000 0.000 0.280 50 c C 1.746 175.956 174.090 0.200 0.000 1.255 50 c CA 0.471 56.753 56.329 -0.079 0.000 1.705 50 c CB -0.433 42.027 42.510 -0.083 0.000 2.080 50 c HN 1.220 nan 8.230 nan 0.000 0.591 51 G N 0.217 109.279 108.800 0.436 0.000 2.211 51 G HA2 -0.036 3.924 3.960 -0.000 0.000 0.201 51 G HA3 -0.036 3.924 3.960 -0.000 0.000 0.201 51 G C 0.397 175.447 174.900 0.249 0.000 0.997 51 G CA -0.115 45.239 45.100 0.425 0.000 0.652 51 G HN 0.784 nan 8.290 nan 0.000 0.500 52 G N 0.850 109.782 108.800 0.219 0.000 2.321 52 G HA2 0.502 4.462 3.960 -0.000 0.000 0.237 52 G HA3 0.502 4.462 3.960 -0.000 0.000 0.237 52 G C 0.049 175.033 174.900 0.139 0.000 1.282 52 G CA 1.201 46.400 45.100 0.165 0.000 0.886 52 G HN 1.086 nan 8.290 nan 0.000 0.528 53 D N -0.229 120.236 120.400 0.108 0.000 2.752 53 D HA 0.241 4.881 4.640 -0.000 0.000 0.313 53 D C 0.544 176.931 176.300 0.146 0.000 1.225 53 D CA -0.941 53.082 54.000 0.039 0.000 0.976 53 D CB 0.186 41.009 40.800 0.038 0.000 1.443 53 D HN 0.301 nan 8.370 nan 0.000 0.515 54 W N -0.397 120.968 121.300 0.109 0.000 2.363 54 W HA -0.050 4.610 4.660 -0.000 0.000 0.296 54 W C 2.119 178.682 176.519 0.073 0.000 1.212 54 W CA 1.128 58.523 57.345 0.084 0.000 1.260 54 W CB -1.043 28.490 29.460 0.121 0.000 1.131 54 W HN 0.569 nan 8.180 nan 0.000 0.530 55 Q N 0.402 120.369 119.800 0.277 0.000 2.124 55 Q HA -0.080 4.260 4.340 -0.000 0.000 0.202 55 Q C 2.371 178.452 176.000 0.135 0.000 0.977 55 Q CA 2.428 58.334 55.803 0.172 0.000 0.850 55 Q CB -0.992 27.820 28.738 0.122 0.000 0.901 55 Q HN 0.158 nan 8.270 nan 0.000 0.429 56 G N 0.561 109.448 108.800 0.145 0.000 2.421 56 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.216 56 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.216 56 G C 1.441 176.435 174.900 0.157 0.000 1.171 56 G CA 1.000 46.169 45.100 0.115 0.000 0.775 56 G HN 0.436 nan 8.290 nan 0.000 0.543 57 I N 0.433 121.160 120.570 0.262 0.000 2.226 57 I HA -0.153 4.017 4.170 -0.000 0.000 0.245 57 I C 2.670 178.890 176.117 0.172 0.000 1.100 57 I CA 0.768 62.249 61.300 0.302 0.000 1.374 57 I CB -0.236 37.916 38.000 0.253 0.000 1.057 57 I HN 0.148 nan 8.210 nan 0.000 0.413 58 I N 1.003 121.645 120.570 0.120 0.000 2.163 58 I HA -0.327 3.843 4.170 -0.000 0.000 0.243 58 I C 2.243 178.385 176.117 0.041 0.000 1.085 58 I CA 1.436 62.773 61.300 0.062 0.000 1.347 58 I CB -0.476 37.557 38.000 0.056 0.000 1.044 58 I HN 0.316 nan 8.210 nan 0.000 0.408 59 N N 0.795 119.515 118.700 0.033 0.000 2.120 59 N HA -0.163 4.577 4.740 -0.000 0.000 0.188 59 N C 1.732 177.214 175.510 -0.047 0.000 1.024 59 N CA 1.122 54.164 53.050 -0.014 0.000 0.852 59 N CB -0.280 38.185 38.487 -0.036 0.000 1.003 59 N HN 0.203 nan 8.380 nan 0.000 0.424 60 K N 0.852 121.229 120.400 -0.038 0.000 2.211 60 K HA 0.085 4.405 4.320 -0.000 0.000 0.203 60 K C 2.062 178.693 176.600 0.052 0.000 1.050 60 K CA 0.339 56.593 56.287 -0.055 0.000 0.945 60 K CB -0.309 32.185 32.500 -0.010 0.000 0.732 60 K HN 0.311 nan 8.250 nan 0.000 0.451 61 I N 0.745 121.353 120.570 0.063 0.000 2.406 61 I HA -0.224 3.946 4.170 -0.000 0.000 0.249 61 I C 1.465 177.592 176.117 0.016 0.000 1.122 61 I CA 1.029 62.355 61.300 0.043 0.000 1.431 61 I CB -0.170 37.849 38.000 0.032 0.000 1.087 61 I HN 0.235 nan 8.210 nan 0.000 0.424 62 N N 0.629 119.334 118.700 0.007 0.000 2.354 62 N HA -0.168 4.572 4.740 -0.000 0.000 0.179 62 N C 0.990 176.495 175.510 -0.007 0.000 1.021 62 N CA 1.053 54.102 53.050 -0.002 0.000 0.887 62 N CB 0.022 38.508 38.487 -0.003 0.000 0.974 62 N HN 0.412 nan 8.380 nan 0.000 0.437 63 D N -0.556 119.834 120.400 -0.017 0.000 2.340 63 D HA 0.088 4.728 4.640 -0.000 0.000 0.220 63 D C 1.226 177.529 176.300 0.006 0.000 1.039 63 D CA 0.387 54.375 54.000 -0.020 0.000 0.866 63 D CB -0.079 40.688 40.800 -0.055 0.000 0.913 63 D HN 0.214 nan 8.370 nan 0.000 0.523 64 G N -0.206 108.607 108.800 0.020 0.000 2.176 64 G HA2 -0.442 3.518 3.960 -0.000 0.000 0.253 64 G HA3 -0.442 3.518 3.960 -0.000 0.000 0.253 64 G C 0.712 175.652 174.900 0.066 0.000 0.979 64 G CA 0.338 45.456 45.100 0.031 0.000 0.641 64 G HN 0.351 nan 8.290 nan 0.000 0.530 65 Y N 1.040 121.322 120.300 -0.029 0.000 2.081 65 Y HA -0.051 4.499 4.550 -0.000 0.000 0.280 65 Y C 2.653 178.586 175.900 0.055 0.000 1.163 65 Y CA 2.650 60.767 58.100 0.028 0.000 1.135 65 Y CB -0.322 38.084 38.460 -0.090 0.000 0.970 65 Y HN 0.336 nan 8.280 nan 0.000 0.498 66 L N -1.138 120.038 121.223 -0.078 0.000 2.095 66 L HA -0.125 4.215 4.340 -0.000 0.000 0.204 66 L C 2.581 179.326 176.870 -0.208 0.000 1.080 66 L CA 1.510 56.205 54.840 -0.242 0.000 0.759 66 L CB -1.173 40.799 42.059 -0.146 0.000 0.914 66 L HN 0.285 nan 8.230 nan 0.000 0.439 67 T N -2.451 112.041 114.554 -0.104 0.000 2.788 67 T HA -0.125 4.225 4.350 -0.000 0.000 0.268 67 T C 1.967 176.614 174.700 -0.090 0.000 1.044 67 T CA 1.115 63.165 62.100 -0.084 0.000 1.139 67 T CB -1.050 67.792 68.868 -0.043 0.000 0.867 67 T HN 0.383 nan 8.240 nan 0.000 0.454 68 G N 0.396 109.163 108.800 -0.056 0.000 2.470 68 G HA2 -0.048 3.912 3.960 -0.000 0.000 0.220 68 G HA3 -0.048 3.912 3.960 -0.000 0.000 0.220 68 G C 1.494 176.356 174.900 -0.064 0.000 1.121 68 G CA 0.557 45.664 45.100 0.011 0.000 0.766 68 G HN 0.505 nan 8.290 nan 0.000 0.553 69 M N -0.255 119.164 119.600 -0.303 0.000 2.514 69 M HA 0.227 4.706 4.480 -0.000 0.000 0.258 69 M C 1.740 177.826 176.300 -0.357 0.000 1.119 69 M CA 0.938 55.869 55.300 -0.616 0.000 1.111 69 M CB 0.483 32.546 32.600 -0.895 0.000 1.390 69 M HN 0.367 nan 8.290 nan 0.000 0.475 70 G N 0.677 109.337 108.800 -0.233 0.000 2.141 70 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.231 70 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.231 70 G C -0.047 174.762 174.900 -0.151 0.000 0.984 70 G CA -0.031 44.969 45.100 -0.168 0.000 0.660 70 G HN 0.302 nan 8.290 nan 0.000 0.525 71 V N 1.673 121.483 119.914 -0.173 0.000 2.572 71 V HA 0.469 4.589 4.120 -0.000 0.000 0.291 71 V C 1.616 177.668 176.094 -0.071 0.000 1.039 71 V CA 1.445 63.678 62.300 -0.113 0.000 1.055 71 V CB 1.355 33.083 31.823 -0.159 0.000 0.969 71 V HN 0.820 nan 8.190 nan 0.000 0.482 72 T N 1.036 115.568 114.554 -0.037 0.000 3.091 72 T HA 0.673 5.023 4.350 -0.000 0.000 0.277 72 T C 0.010 174.713 174.700 0.004 0.000 0.996 72 T CA 0.370 62.444 62.100 -0.043 0.000 0.897 72 T CB 0.436 69.248 68.868 -0.095 0.000 1.109 72 T HN 1.027 nan 8.240 nan 0.000 0.534 73 A N 1.534 124.406 122.820 0.087 0.000 2.594 73 A HA 0.753 5.073 4.320 -0.000 0.000 0.296 73 A C -1.269 176.462 177.584 0.244 0.000 1.061 73 A CA -1.196 50.960 52.037 0.199 0.000 0.689 73 A CB 1.068 20.270 19.000 0.337 0.000 1.280 73 A HN 0.785 nan 8.150 nan 0.000 0.406 74 I N -2.113 118.616 120.570 0.264 0.000 2.608 74 I HA 0.876 5.045 4.170 -0.000 0.000 0.295 74 I C -1.110 175.212 176.117 0.343 0.000 1.049 74 I CA -0.766 60.693 61.300 0.264 0.000 1.063 74 I CB 2.112 40.209 38.000 0.161 0.000 1.248 74 I HN 0.779 nan 8.210 nan 0.000 0.424 75 W N 8.708 130.082 121.300 0.123 0.000 2.362 75 W HA 0.739 5.399 4.660 -0.000 0.000 0.316 75 W C -1.390 175.149 176.519 0.032 0.000 1.024 75 W CA -1.964 55.450 57.345 0.115 0.000 1.270 75 W CB 0.804 30.380 29.460 0.193 0.000 1.273 75 W HN 0.656 nan 8.180 nan 0.000 0.424 76 I N 2.610 123.385 120.570 0.342 0.000 2.707 76 I HA 0.639 4.809 4.170 -0.000 0.000 0.309 76 I C 0.436 176.589 176.117 0.060 0.000 1.001 76 I CA -0.893 60.457 61.300 0.083 0.000 1.129 76 I CB 1.666 39.708 38.000 0.069 0.000 1.308 76 I HN 0.197 nan 8.210 nan 0.000 0.466 77 S N 2.403 117.987 115.700 -0.193 0.000 2.558 77 S HA -0.070 4.400 4.470 -0.000 0.000 0.287 77 S C 0.066 174.621 174.600 -0.074 0.000 1.321 77 S CA -0.224 57.791 58.200 -0.308 0.000 1.048 77 S CB 0.215 63.096 63.200 -0.532 0.000 0.844 77 S HN 0.735 nan 8.310 nan 0.000 0.512 78 Q N 2.973 122.689 119.800 -0.140 0.000 2.308 78 Q HA -0.029 4.311 4.340 -0.000 0.000 0.313 78 Q C -1.561 174.503 176.000 0.106 0.000 1.075 78 Q CA -0.920 54.852 55.803 -0.051 0.000 0.995 78 Q CB 0.563 29.222 28.738 -0.132 0.000 1.107 78 Q HN 0.333 nan 8.270 nan 0.000 0.380 79 P HA -0.035 nan 4.420 nan 0.000 0.235 79 P C 0.418 177.829 177.300 0.185 0.000 1.177 79 P CA 0.310 63.594 63.100 0.307 0.000 0.785 79 P CB -0.167 31.497 31.700 -0.059 0.000 0.885 80 V N -1.183 118.720 119.914 -0.019 0.000 3.237 80 V HA 0.124 4.244 4.120 -0.000 0.000 0.305 80 V C 0.520 176.592 176.094 -0.037 0.000 1.096 80 V CA -0.799 61.551 62.300 0.083 0.000 1.130 80 V CB -0.088 31.725 31.823 -0.017 0.000 1.048 80 V HN 0.004 nan 8.190 nan 0.000 0.484 81 E N 2.733 122.926 120.200 -0.011 0.000 2.417 81 E HA 0.095 4.445 4.350 -0.000 0.000 0.261 81 E C -0.151 176.326 176.600 -0.206 0.000 1.000 81 E CA 0.105 56.442 56.400 -0.105 0.000 0.919 81 E CB 0.210 29.899 29.700 -0.018 0.000 0.955 81 E HN 0.881 nan 8.360 nan 0.000 0.455 82 N N 3.261 121.772 118.700 -0.314 0.000 2.432 82 N HA 0.306 5.046 4.740 -0.000 0.000 0.292 82 N C 0.174 175.419 175.510 -0.440 0.000 1.193 82 N CA -0.765 52.116 53.050 -0.282 0.000 0.878 82 N CB 1.134 39.469 38.487 -0.254 0.000 1.252 82 N HN 0.478 nan 8.380 nan 0.000 0.520 83 I N -1.140 119.303 120.570 -0.211 0.000 3.112 83 I HA -0.038 4.132 4.170 -0.000 0.000 0.284 83 I C -0.181 175.721 176.117 -0.359 0.000 1.227 83 I CA 0.151 61.327 61.300 -0.206 0.000 1.369 83 I CB 0.247 38.236 38.000 -0.018 0.000 1.376 83 I HN 0.628 nan 8.210 nan 0.000 0.608 84 Y N 1.683 122.000 120.300 0.028 0.000 2.458 84 Y HA 0.229 4.779 4.550 -0.000 0.000 0.256 84 Y C 1.321 177.247 175.900 0.042 0.000 1.159 84 Y CA -0.313 57.801 58.100 0.022 0.000 1.261 84 Y CB -0.086 38.356 38.460 -0.030 0.000 1.119 84 Y HN 0.526 nan 8.280 nan 0.000 0.524 85 S N 1.393 117.169 115.700 0.127 0.000 2.568 85 S HA 0.173 4.643 4.470 -0.000 0.000 0.282 85 S C -0.003 174.656 174.600 0.099 0.000 1.338 85 S CA -0.029 58.204 58.200 0.054 0.000 1.045 85 S CB 0.384 63.535 63.200 -0.081 0.000 0.873 85 S HN 0.153 nan 8.310 nan 0.000 0.516 86 I N 3.388 123.994 120.570 0.060 0.000 2.371 86 I HA 0.337 4.507 4.170 -0.000 0.000 0.282 86 I C -0.474 175.646 176.117 0.005 0.000 1.031 86 I CA -0.181 61.169 61.300 0.084 0.000 1.180 86 I CB 0.421 38.472 38.000 0.085 0.000 1.336 86 I HN 0.436 nan 8.210 nan 0.000 0.467 87 I N 5.487 126.052 120.570 -0.008 0.000 2.385 87 I HA 0.224 4.394 4.170 -0.000 0.000 0.294 87 I C 0.400 176.408 176.117 -0.183 0.000 0.988 87 I CA -0.490 60.697 61.300 -0.187 0.000 1.265 87 I CB 1.057 38.818 38.000 -0.398 0.000 1.388 87 I HN 0.532 nan 8.210 nan 0.000 0.480 88 N N 6.193 124.778 118.700 -0.193 0.000 2.437 88 N HA 0.181 4.920 4.740 -0.000 0.000 0.243 88 N C -1.725 173.702 175.510 -0.139 0.000 1.041 88 N CA -0.173 52.821 53.050 -0.093 0.000 0.940 88 N CB 0.483 38.960 38.487 -0.016 0.000 1.133 88 N HN 0.328 nan 8.380 nan 0.000 0.506 89 Y N 1.432 121.806 120.300 0.124 0.000 2.328 89 Y HA 0.187 4.737 4.550 -0.000 0.000 0.333 89 Y C 0.862 176.812 175.900 0.083 0.000 0.958 89 Y CA -0.812 57.354 58.100 0.110 0.000 1.167 89 Y CB 1.323 39.863 38.460 0.132 0.000 1.151 89 Y HN 0.502 nan 8.280 nan 0.000 0.470 90 S N 2.055 117.892 115.700 0.227 0.000 3.641 90 S HA -0.192 4.278 4.470 -0.000 0.000 0.346 90 S C 1.268 175.932 174.600 0.106 0.000 1.074 90 S CA 1.081 59.364 58.200 0.138 0.000 1.026 90 S CB -1.597 61.677 63.200 0.123 0.000 0.908 90 S HN 1.710 nan 8.310 nan 0.000 0.479 91 G N -1.843 107.014 108.800 0.096 0.000 2.148 91 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.254 91 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.254 91 G C 0.004 174.951 174.900 0.077 0.000 0.981 91 G CA 0.078 45.220 45.100 0.071 0.000 0.670 91 G HN 1.428 nan 8.290 nan 0.000 0.528 92 V N 0.352 120.332 119.914 0.110 0.000 2.540 92 V HA 0.519 4.639 4.120 -0.000 0.000 0.302 92 V C -0.041 176.132 176.094 0.132 0.000 1.035 92 V CA -1.609 60.760 62.300 0.114 0.000 0.873 92 V CB 1.834 33.730 31.823 0.123 0.000 0.992 92 V HN 0.221 nan 8.190 nan 0.000 0.428 93 N N 3.719 122.483 118.700 0.105 0.000 2.497 93 N HA 0.301 5.041 4.740 -0.000 0.000 0.268 93 N C -0.482 175.128 175.510 0.166 0.000 1.171 93 N CA 0.210 53.325 53.050 0.110 0.000 0.948 93 N CB 0.405 38.943 38.487 0.085 0.000 1.069 93 N HN 0.722 nan 8.380 nan 0.000 0.460 94 N N -0.091 118.739 118.700 0.217 0.000 2.238 94 N HA 0.424 5.164 4.740 -0.000 0.000 0.302 94 N C -0.602 175.104 175.510 0.326 0.000 1.072 94 N CA -0.425 52.823 53.050 0.331 0.000 0.792 94 N CB 2.146 40.978 38.487 0.574 0.000 1.425 94 N HN 0.537 nan 8.380 nan 0.000 0.478 95 T N -2.676 112.029 114.554 0.251 0.000 2.888 95 T HA 0.564 4.914 4.350 -0.000 0.000 0.288 95 T C 0.480 174.967 174.700 -0.355 0.000 1.063 95 T CA -0.728 61.453 62.100 0.134 0.000 1.010 95 T CB 1.601 70.559 68.868 0.150 0.000 1.214 95 T HN 0.357 nan 8.240 nan 0.000 0.533 96 A N 0.233 122.785 122.820 -0.447 0.000 2.310 96 A HA 0.244 4.564 4.320 -0.000 0.000 0.230 96 A C 1.437 178.234 177.584 -1.310 0.000 1.294 96 A CA 0.059 51.465 52.037 -1.051 0.000 0.898 96 A CB -1.648 17.142 19.000 -0.350 0.000 0.917 96 A HN 0.981 nan 8.150 nan 0.000 0.491 97 Y N 0.301 119.786 120.300 -1.359 0.000 2.283 97 Y HA -0.370 4.179 4.550 -0.000 0.000 0.285 97 Y C 1.789 177.307 175.900 -0.636 0.000 1.176 97 Y CA 1.901 59.212 58.100 -1.316 0.000 1.229 97 Y CB -1.267 36.619 38.460 -0.956 0.000 0.975 97 Y HN 0.659 nan 8.280 nan 0.000 0.537 98 H N -1.455 116.867 119.070 -1.248 0.000 2.529 98 H HA 0.327 4.883 4.556 -0.000 0.000 0.277 98 H C 2.015 176.863 175.328 -0.801 0.000 0.999 98 H CA 0.100 55.584 56.048 -0.940 0.000 1.256 98 H CB -0.617 28.731 29.762 -0.690 0.000 1.402 98 H HN 0.429 nan 8.280 nan 0.000 0.566 99 G N -0.221 108.226 108.800 -0.589 0.000 2.184 99 G HA2 -0.383 3.577 3.960 -0.000 0.000 0.264 99 G HA3 -0.383 3.577 3.960 -0.000 0.000 0.264 99 G C 0.465 175.186 174.900 -0.298 0.000 0.975 99 G CA 0.563 45.440 45.100 -0.372 0.000 0.642 99 G HN 0.522 nan 8.290 nan 0.000 0.536 100 Y N -1.233 119.106 120.300 0.064 0.000 2.511 100 Y HA 0.305 4.855 4.550 -0.000 0.000 0.279 100 Y C 1.142 177.260 175.900 0.363 0.000 1.157 100 Y CA -0.057 58.137 58.100 0.156 0.000 1.300 100 Y CB 0.251 38.769 38.460 0.096 0.000 1.052 100 Y HN 0.400 nan 8.280 nan 0.000 0.529 101 W N 1.553 122.975 121.300 0.203 0.000 1.928 101 W HA 0.655 5.315 4.660 -0.000 0.000 0.341 101 W C 0.209 176.708 176.519 -0.033 0.000 0.789 101 W CA -2.073 55.331 57.345 0.098 0.000 1.680 101 W CB -0.907 28.578 29.460 0.041 0.000 1.882 101 W HN -0.174 nan 8.180 nan 0.000 0.315 102 A N 2.173 125.074 122.820 0.136 0.000 2.445 102 A HA 0.395 4.715 4.320 -0.000 0.000 0.242 102 A C 1.323 178.880 177.584 -0.045 0.000 1.075 102 A CA 0.190 52.140 52.037 -0.146 0.000 0.777 102 A CB 0.555 19.185 19.000 -0.617 0.000 1.013 102 A HN 0.650 nan 8.150 nan 0.000 0.493 103 R N -0.060 120.397 120.500 -0.072 0.000 2.470 103 R HA 0.322 4.662 4.340 -0.000 0.000 0.210 103 R C -0.651 175.782 176.300 0.223 0.000 0.873 103 R CA 0.398 56.572 56.100 0.124 0.000 1.015 103 R CB 0.595 30.983 30.300 0.147 0.000 1.348 103 R HN 0.475 nan 8.270 nan 0.000 0.650 104 D N -0.053 120.397 120.400 0.083 0.000 2.478 104 D HA 0.180 4.820 4.640 -0.000 0.000 0.240 104 D C -0.738 175.692 176.300 0.217 0.000 1.364 104 D CA -0.706 53.447 54.000 0.255 0.000 0.987 104 D CB 0.863 41.803 40.800 0.233 0.000 1.328 104 D HN 0.013 nan 8.370 nan 0.000 0.584 105 F N 1.763 121.981 119.950 0.448 0.000 2.771 105 F HA 0.120 4.647 4.527 -0.000 0.000 0.299 105 F C 2.048 178.129 175.800 0.468 0.000 1.177 105 F CA 0.581 58.849 58.000 0.447 0.000 1.450 105 F CB 0.259 39.498 39.000 0.398 0.000 1.114 105 F HN 0.130 nan 8.300 nan 0.000 0.587 106 K N -0.106 120.562 120.400 0.447 0.000 2.373 106 K HA 0.180 4.500 4.320 -0.000 0.000 0.202 106 K C 0.251 176.922 176.600 0.118 0.000 1.025 106 K CA 0.143 56.558 56.287 0.212 0.000 1.115 106 K CB 0.620 33.208 32.500 0.146 0.000 0.858 106 K HN 0.167 nan 8.250 nan 0.000 0.525 107 K N 0.832 121.367 120.400 0.225 0.000 2.395 107 K HA 0.263 4.583 4.320 -0.000 0.000 0.245 107 K C -0.099 176.681 176.600 0.299 0.000 1.017 107 K CA -0.662 55.729 56.287 0.173 0.000 0.852 107 K CB 1.908 34.485 32.500 0.128 0.000 1.311 107 K HN -0.053 nan 8.250 nan 0.000 0.452 108 T N -1.753 112.960 114.554 0.266 0.000 2.944 108 T HA 0.217 4.567 4.350 -0.000 0.000 0.284 108 T C 0.077 174.848 174.700 0.118 0.000 1.010 108 T CA -0.850 61.461 62.100 0.352 0.000 1.025 108 T CB 0.951 70.098 68.868 0.465 0.000 1.079 108 T HN 0.429 nan 8.240 nan 0.000 0.516 109 N N 2.313 121.001 118.700 -0.020 0.000 2.415 109 N HA 0.226 4.966 4.740 -0.000 0.000 0.246 109 N C -1.582 173.740 175.510 -0.314 0.000 1.078 109 N CA -2.352 50.522 53.050 -0.295 0.000 0.942 109 N CB 1.043 39.116 38.487 -0.689 0.000 1.140 109 N HN 0.338 nan 8.380 nan 0.000 0.501 110 P HA -0.175 nan 4.420 nan 0.000 0.218 110 P C 0.844 178.015 177.300 -0.214 0.000 1.146 110 P CA 1.142 64.167 63.100 -0.124 0.000 0.820 110 P CB 0.168 31.843 31.700 -0.041 0.000 0.778 111 A N -1.275 121.346 122.820 -0.332 0.000 1.933 111 A HA -0.200 4.120 4.320 -0.000 0.000 0.218 111 A C 2.023 179.487 177.584 -0.199 0.000 1.175 111 A CA 1.303 53.141 52.037 -0.331 0.000 0.628 111 A CB -1.568 17.102 19.000 -0.550 0.000 0.814 111 A HN 0.099 nan 8.150 nan 0.000 0.444 112 Y N -0.782 119.224 120.300 -0.489 0.000 2.286 112 Y HA 0.367 4.917 4.550 -0.000 0.000 0.293 112 Y C 1.612 176.937 175.900 -0.958 0.000 1.124 112 Y CA 0.159 57.689 58.100 -0.949 0.000 1.178 112 Y CB -0.822 36.666 38.460 -1.620 0.000 1.010 112 Y HN 0.463 nan 8.280 nan 0.000 0.536 113 G N -1.077 107.423 108.800 -0.500 0.000 2.369 113 G HA2 0.280 4.240 3.960 -0.000 0.000 0.293 113 G HA3 0.280 4.240 3.960 -0.000 0.000 0.293 113 G C -0.596 174.402 174.900 0.164 0.000 1.301 113 G CA -0.533 44.539 45.100 -0.045 0.000 0.913 113 G HN 0.218 nan 8.290 nan 0.000 0.540 114 T N -1.713 113.022 114.554 0.301 0.000 2.849 114 T HA 0.617 4.967 4.350 -0.000 0.000 0.276 114 T C 1.699 176.658 174.700 0.431 0.000 0.971 114 T CA -0.017 62.255 62.100 0.288 0.000 0.949 114 T CB 1.209 70.184 68.868 0.179 0.000 1.093 114 T HN 0.526 nan 8.240 nan 0.000 0.545 115 I N 0.744 121.484 120.570 0.283 0.000 2.286 115 I HA -0.065 4.105 4.170 -0.000 0.000 0.248 115 I C 2.956 179.230 176.117 0.262 0.000 1.115 115 I CA 1.493 62.943 61.300 0.250 0.000 1.392 115 I CB -0.677 37.377 38.000 0.090 0.000 1.065 115 I HN 0.864 nan 8.210 nan 0.000 0.418 116 A N 0.190 123.130 122.820 0.200 0.000 1.933 116 A HA -0.237 4.083 4.320 -0.000 0.000 0.218 116 A C 1.989 179.688 177.584 0.192 0.000 1.175 116 A CA 1.956 54.089 52.037 0.159 0.000 0.628 116 A CB -0.538 18.531 19.000 0.114 0.000 0.814 116 A HN 0.326 nan 8.150 nan 0.000 0.444 117 D N -1.233 119.334 120.400 0.279 0.000 2.144 117 D HA -0.120 4.520 4.640 -0.000 0.000 0.199 117 D C 1.588 178.070 176.300 0.303 0.000 0.984 117 D CA 1.057 55.255 54.000 0.330 0.000 0.834 117 D CB -0.357 40.732 40.800 0.482 0.000 0.955 117 D HN 0.461 nan 8.370 nan 0.000 0.465 118 F N 1.663 121.715 119.950 0.171 0.000 2.134 118 F HA -0.167 4.360 4.527 -0.000 0.000 0.299 118 F C 2.420 178.154 175.800 -0.110 0.000 1.097 118 F CA 1.417 59.317 58.000 -0.166 0.000 1.264 118 F CB -0.098 38.818 39.000 -0.141 0.000 1.001 118 F HN -0.082 nan 8.300 nan 0.000 0.479 119 Q N -0.039 119.829 119.800 0.113 0.000 2.124 119 Q HA -0.224 4.116 4.340 -0.000 0.000 0.202 119 Q C 1.890 177.838 176.000 -0.086 0.000 0.977 119 Q CA 1.967 57.780 55.803 0.017 0.000 0.850 119 Q CB -0.514 28.271 28.738 0.079 0.000 0.901 119 Q HN 0.611 nan 8.270 nan 0.000 0.429 120 N N 0.328 119.003 118.700 -0.042 0.000 2.188 120 N HA -0.138 4.602 4.740 -0.000 0.000 0.184 120 N C 1.772 177.210 175.510 -0.120 0.000 1.018 120 N CA 0.535 53.558 53.050 -0.046 0.000 0.858 120 N CB -0.048 38.450 38.487 0.019 0.000 0.989 120 N HN 0.091 nan 8.380 nan 0.000 0.426 121 L N 1.536 122.638 121.223 -0.200 0.000 2.017 121 L HA -0.119 4.221 4.340 -0.000 0.000 0.208 121 L C 1.834 178.475 176.870 -0.382 0.000 1.073 121 L CA 1.492 56.159 54.840 -0.288 0.000 0.745 121 L CB -0.518 41.267 42.059 -0.457 0.000 0.894 121 L HN 0.151 nan 8.230 nan 0.000 0.432 122 I N 0.248 120.503 120.570 -0.525 0.000 2.163 122 I HA -0.286 3.884 4.170 -0.000 0.000 0.243 122 I C 2.682 178.484 176.117 -0.526 0.000 1.085 122 I CA 1.541 62.487 61.300 -0.590 0.000 1.347 122 I CB -1.789 35.899 38.000 -0.519 0.000 1.044 122 I HN 0.422 nan 8.210 nan 0.000 0.408 123 A N 0.884 123.537 122.820 -0.279 0.000 1.877 123 A HA -0.101 4.219 4.320 -0.000 0.000 0.216 123 A C 2.600 180.127 177.584 -0.094 0.000 1.186 123 A CA 1.979 53.934 52.037 -0.136 0.000 0.620 123 A CB -0.797 18.166 19.000 -0.061 0.000 0.822 123 A HN 0.420 nan 8.150 nan 0.000 0.443 124 A N -0.066 122.692 122.820 -0.103 0.000 1.877 124 A HA 0.125 4.445 4.320 -0.000 0.000 0.216 124 A C 2.529 180.084 177.584 -0.049 0.000 1.186 124 A CA 2.297 54.300 52.037 -0.057 0.000 0.620 124 A CB -1.114 17.858 19.000 -0.046 0.000 0.822 124 A HN 1.060 nan 8.150 nan 0.000 0.443 125 A N -0.626 122.134 122.820 -0.100 0.000 1.851 125 A HA -0.222 4.098 4.320 -0.000 0.000 0.216 125 A C 1.940 179.555 177.584 0.053 0.000 1.195 125 A CA 1.762 53.767 52.037 -0.052 0.000 0.622 125 A CB -1.244 17.689 19.000 -0.112 0.000 0.831 125 A HN 0.755 nan 8.150 nan 0.000 0.444 126 H N -0.762 118.280 119.070 -0.046 0.000 2.353 126 H HA -0.118 4.438 4.556 -0.000 0.000 0.298 126 H C 2.423 177.727 175.328 -0.039 0.000 1.103 126 H CA 0.758 56.781 56.048 -0.042 0.000 1.293 126 H CB -0.037 29.703 29.762 -0.038 0.000 1.372 126 H HN 0.572 nan 8.280 nan 0.000 0.501 127 A N 0.940 123.817 122.820 0.095 0.000 2.070 127 A HA -0.126 4.194 4.320 -0.000 0.000 0.220 127 A C 1.691 179.286 177.584 0.018 0.000 1.159 127 A CA 1.227 53.288 52.037 0.040 0.000 0.656 127 A CB 0.058 19.070 19.000 0.020 0.000 0.800 127 A HN 0.192 nan 8.150 nan 0.000 0.453 128 K N -0.130 120.282 120.400 0.019 0.000 2.498 128 K HA 0.114 4.434 4.320 -0.000 0.000 0.207 128 K C -0.343 176.253 176.600 -0.007 0.000 1.033 128 K CA -0.223 56.065 56.287 0.001 0.000 1.138 128 K CB 0.084 32.582 32.500 -0.003 0.000 0.860 128 K HN 0.473 nan 8.250 nan 0.000 0.490 129 N N 0.827 119.526 118.700 -0.002 0.000 2.741 129 N HA -0.198 4.542 4.740 -0.000 0.000 0.250 129 N C -0.540 174.956 175.510 -0.024 0.000 1.115 129 N CA 0.749 53.781 53.050 -0.030 0.000 0.724 129 N CB -1.583 36.869 38.487 -0.058 0.000 1.090 129 N HN 0.343 nan 8.380 nan 0.000 0.558 130 I N 0.866 121.454 120.570 0.030 0.000 2.339 130 I HA 0.178 4.348 4.170 -0.000 0.000 0.290 130 I C 0.680 176.872 176.117 0.125 0.000 0.994 130 I CA -0.526 60.801 61.300 0.045 0.000 1.191 130 I CB 1.283 39.303 38.000 0.035 0.000 1.343 130 I HN -0.199 nan 8.210 nan 0.000 0.458 131 K N 4.552 125.011 120.400 0.098 0.000 2.154 131 K HA 0.533 4.853 4.320 -0.000 0.000 0.264 131 K C -0.884 175.865 176.600 0.248 0.000 1.008 131 K CA -0.515 55.880 56.287 0.181 0.000 0.937 131 K CB 1.554 34.084 32.500 0.051 0.000 1.002 131 K HN 0.289 nan 8.250 nan 0.000 0.469 132 V N 4.188 124.262 119.914 0.266 0.000 2.409 132 V HA 0.379 4.498 4.120 -0.000 0.000 0.291 132 V C -0.317 175.920 176.094 0.238 0.000 1.020 132 V CA -0.760 61.647 62.300 0.178 0.000 0.848 132 V CB 1.147 32.961 31.823 -0.016 0.000 0.990 132 V HN 0.583 nan 8.190 nan 0.000 0.430 133 I N 5.918 126.635 120.570 0.244 0.000 2.441 133 I HA 0.572 4.742 4.170 -0.000 0.000 0.295 133 I C -0.239 175.974 176.117 0.159 0.000 0.994 133 I CA -0.607 60.808 61.300 0.192 0.000 1.144 133 I CB 1.864 39.985 38.000 0.202 0.000 1.314 133 I HN 0.620 nan 8.210 nan 0.000 0.445 134 I N 1.186 121.797 120.570 0.068 0.000 2.493 134 I HA 0.548 4.718 4.170 -0.000 0.000 0.298 134 I C -0.507 175.607 176.117 -0.006 0.000 0.998 134 I CA -0.710 60.627 61.300 0.062 0.000 1.137 134 I CB 1.617 39.614 38.000 -0.005 0.000 1.310 134 I HN 0.364 nan 8.210 nan 0.000 0.445 135 D N 4.153 124.605 120.400 0.087 0.000 2.345 135 D HA 0.314 4.954 4.640 -0.000 0.000 0.247 135 D C -1.602 174.781 176.300 0.138 0.000 1.108 135 D CA 0.348 54.404 54.000 0.092 0.000 0.894 135 D CB 1.235 42.147 40.800 0.188 0.000 1.203 135 D HN 0.477 nan 8.370 nan 0.000 0.430 136 F N 1.792 121.720 119.950 -0.038 0.000 2.562 136 F HA 0.493 5.020 4.527 -0.000 0.000 0.319 136 F C -0.876 174.974 175.800 0.083 0.000 1.154 136 F CA -0.920 57.090 58.000 0.016 0.000 0.931 136 F CB 1.735 40.732 39.000 -0.005 0.000 1.198 136 F HN 0.290 nan 8.300 nan 0.000 0.444 137 A N 7.466 130.207 122.820 -0.132 0.000 3.064 137 A HA 0.508 4.828 4.320 -0.000 0.000 0.339 137 A C -2.440 175.021 177.584 -0.205 0.000 1.078 137 A CA -1.157 50.820 52.037 -0.099 0.000 0.869 137 A CB -0.289 18.758 19.000 0.078 0.000 1.067 137 A HN 0.431 nan 8.150 nan 0.000 0.480 138 P HA -0.002 nan 4.420 nan 0.000 0.255 138 P C 0.454 177.669 177.300 -0.142 0.000 1.357 138 P CA 0.240 63.084 63.100 -0.426 0.000 0.839 138 P CB -0.023 31.436 31.700 -0.401 0.000 1.356 139 N N 0.610 119.209 118.700 -0.167 0.000 2.415 139 N HA -0.078 4.662 4.740 -0.000 0.000 0.176 139 N C 0.389 175.880 175.510 -0.031 0.000 1.042 139 N CA 0.658 53.673 53.050 -0.059 0.000 0.902 139 N CB -0.558 37.908 38.487 -0.036 0.000 0.986 139 N HN 0.323 nan 8.380 nan 0.000 0.447 140 H N -3.379 115.752 119.070 0.103 0.000 2.902 140 H HA 0.484 5.040 4.556 -0.000 0.000 0.297 140 H C 0.287 175.740 175.328 0.209 0.000 1.406 140 H CA -0.304 55.809 56.048 0.109 0.000 1.134 140 H CB 0.403 30.195 29.762 0.051 0.000 1.833 140 H HN -0.086 nan 8.280 nan 0.000 0.527 141 T N -1.438 113.387 114.554 0.453 0.000 3.364 141 T HA 0.492 4.842 4.350 -0.000 0.000 0.190 141 T C 0.504 175.378 174.700 0.289 0.000 0.798 141 T CA 0.639 62.962 62.100 0.372 0.000 1.773 141 T CB -0.740 68.310 68.868 0.304 0.000 2.078 141 T HN 0.983 nan 8.240 nan 0.000 0.437 142 S N 0.811 116.514 115.700 0.006 0.000 2.720 142 S HA 0.697 5.167 4.470 -0.000 0.000 0.287 142 S C -3.294 171.047 174.600 -0.432 0.000 1.168 142 S CA -1.682 56.380 58.200 -0.230 0.000 0.832 142 S CB 1.031 64.134 63.200 -0.162 0.000 1.166 142 S HN 0.317 nan 8.310 nan 0.000 0.493 143 P HA 0.458 nan 4.420 nan 0.000 0.264 143 P C -0.882 176.291 177.300 -0.212 0.000 1.193 143 P CA 0.325 63.174 63.100 -0.417 0.000 0.763 143 P CB 0.331 31.763 31.700 -0.445 0.000 0.810 144 A N 2.303 125.079 122.820 -0.075 0.000 2.602 144 A HA 0.737 5.057 4.320 -0.000 0.000 0.290 144 A C -1.043 176.613 177.584 0.119 0.000 1.114 144 A CA -0.503 51.551 52.037 0.030 0.000 0.683 144 A CB 1.527 20.352 19.000 -0.290 0.000 1.281 144 A HN 0.357 nan 8.150 nan 0.000 0.416 145 S N -0.240 115.601 115.700 0.234 0.000 2.776 145 S HA 0.449 4.919 4.470 -0.000 0.000 0.284 145 S C 0.941 175.661 174.600 0.200 0.000 1.160 145 S CA 0.263 58.553 58.200 0.150 0.000 1.051 145 S CB 0.883 64.057 63.200 -0.044 0.000 1.037 145 S HN 1.809 nan 8.310 nan 0.000 0.485 146 S N 3.329 119.168 115.700 0.232 0.000 2.382 146 S HA -0.123 4.347 4.470 -0.000 0.000 0.228 146 S C 1.061 175.656 174.600 -0.008 0.000 1.027 146 S CA 1.388 59.608 58.200 0.033 0.000 0.991 146 S CB -0.471 62.604 63.200 -0.208 0.000 0.823 146 S HN 0.718 nan 8.310 nan 0.000 0.469 147 D N 1.085 121.483 120.400 -0.004 0.000 2.224 147 D HA 0.034 4.674 4.640 -0.000 0.000 0.205 147 D C 1.004 177.301 176.300 -0.006 0.000 0.965 147 D CA 0.867 54.854 54.000 -0.022 0.000 0.852 147 D CB -0.051 40.730 40.800 -0.031 0.000 0.947 147 D HN 0.569 nan 8.370 nan 0.000 0.494 148 Q N 0.322 120.133 119.800 0.018 0.000 2.771 148 Q HA 0.149 4.489 4.340 -0.000 0.000 0.247 148 Q C -2.194 173.863 176.000 0.095 0.000 0.986 148 Q CA -1.731 54.095 55.803 0.040 0.000 0.713 148 Q CB 1.816 30.565 28.738 0.017 0.000 1.241 148 Q HN -0.065 nan 8.270 nan 0.000 0.488 149 P HA -0.149 nan 4.420 nan 0.000 0.220 149 P C 1.091 178.432 177.300 0.069 0.000 1.148 149 P CA 1.189 64.328 63.100 0.066 0.000 0.803 149 P CB 0.195 31.915 31.700 0.034 0.000 0.782 150 S N -1.649 114.094 115.700 0.072 0.000 2.555 150 S HA -0.063 4.407 4.470 -0.000 0.000 0.230 150 S C 0.560 175.206 174.600 0.077 0.000 0.978 150 S CA -0.393 57.841 58.200 0.058 0.000 0.934 150 S CB -1.355 61.873 63.200 0.046 0.000 0.766 150 S HN 0.024 nan 8.310 nan 0.000 0.533 151 F N 3.688 123.618 119.950 -0.034 0.000 2.506 151 F HA 0.527 5.054 4.527 -0.000 0.000 0.371 151 F C 0.901 176.658 175.800 -0.072 0.000 1.078 151 F CA -0.287 57.678 58.000 -0.058 0.000 1.195 151 F CB -0.110 38.853 39.000 -0.063 0.000 1.099 151 F HN 0.503 nan 8.300 nan 0.000 0.548 152 A N 4.870 127.217 122.820 -0.790 0.000 5.584 152 A HA -0.340 3.980 4.320 -0.000 0.000 0.303 152 A C 1.098 178.505 177.584 -0.295 0.000 1.923 152 A CA 1.376 53.004 52.037 -0.681 0.000 0.717 152 A CB -1.472 16.908 19.000 -1.034 0.000 1.281 152 A HN 0.808 nan 8.150 nan 0.000 0.379 153 E N 1.092 121.155 120.200 -0.230 0.000 2.499 153 E HA 0.191 4.541 4.350 -0.000 0.000 0.199 153 E C 0.491 177.060 176.600 -0.051 0.000 1.016 153 E CA 0.393 56.751 56.400 -0.071 0.000 0.933 153 E CB -0.051 29.657 29.700 0.014 0.000 1.050 153 E HN 0.666 nan 8.360 nan 0.000 0.462 154 N N 0.574 119.218 118.700 -0.093 0.000 2.725 154 N HA -0.235 4.505 4.740 -0.000 0.000 0.249 154 N C 0.689 176.135 175.510 -0.108 0.000 1.103 154 N CA 0.361 53.386 53.050 -0.041 0.000 0.707 154 N CB -0.922 37.572 38.487 0.012 0.000 1.043 154 N HN 0.513 nan 8.380 nan 0.000 0.553 155 G N 0.212 108.908 108.800 -0.173 0.000 2.233 155 G HA2 -0.373 3.587 3.960 -0.000 0.000 0.270 155 G HA3 -0.373 3.587 3.960 -0.000 0.000 0.270 155 G C 0.255 175.116 174.900 -0.066 0.000 1.011 155 G CA 0.852 45.814 45.100 -0.230 0.000 0.762 155 G HN 0.673 nan 8.290 nan 0.000 0.511 156 R N -1.039 119.465 120.500 0.007 0.000 2.583 156 R HA 0.273 4.613 4.340 -0.000 0.000 0.274 156 R C 0.171 176.519 176.300 0.079 0.000 0.998 156 R CA 0.004 56.117 56.100 0.022 0.000 1.081 156 R CB 0.381 30.646 30.300 -0.057 0.000 0.940 156 R HN 0.296 nan 8.270 nan 0.000 0.413 157 L N 4.296 125.513 121.223 -0.011 0.000 2.325 157 L HA 0.376 4.716 4.340 -0.000 0.000 0.281 157 L C -1.497 175.250 176.870 -0.204 0.000 1.004 157 L CA -0.408 54.443 54.840 0.018 0.000 0.823 157 L CB 0.984 43.049 42.059 0.011 0.000 1.236 157 L HN 0.393 nan 8.230 nan 0.000 0.415 158 Y N 2.052 122.387 120.300 0.059 0.000 2.528 158 Y HA 0.534 5.084 4.550 -0.000 0.000 0.335 158 Y C -0.349 175.603 175.900 0.087 0.000 1.093 158 Y CA -0.830 57.303 58.100 0.056 0.000 1.134 158 Y CB 1.502 40.019 38.460 0.095 0.000 1.253 158 Y HN 0.531 nan 8.280 nan 0.000 0.478 159 D N 1.845 122.410 120.400 0.275 0.000 2.438 159 D HA 0.139 4.779 4.640 -0.000 0.000 0.257 159 D C -0.403 176.081 176.300 0.308 0.000 1.148 159 D CA -0.385 53.835 54.000 0.367 0.000 0.902 159 D CB -0.122 40.833 40.800 0.259 0.000 1.062 159 D HN 0.582 nan 8.370 nan 0.000 0.518 160 N N 3.398 122.281 118.700 0.305 0.000 2.727 160 N HA -0.234 4.506 4.740 -0.000 0.000 0.249 160 N C 0.961 176.561 175.510 0.150 0.000 1.048 160 N CA 2.015 55.179 53.050 0.190 0.000 0.714 160 N CB -1.125 37.446 38.487 0.140 0.000 0.959 160 N HN 0.849 nan 8.380 nan 0.000 0.544 161 G N -2.872 106.029 108.800 0.168 0.000 2.234 161 G HA2 -0.255 3.704 3.960 -0.000 0.000 0.235 161 G HA3 -0.255 3.704 3.960 -0.000 0.000 0.235 161 G C 0.211 175.243 174.900 0.220 0.000 0.997 161 G CA 0.390 45.560 45.100 0.118 0.000 0.623 161 G HN 0.703 nan 8.290 nan 0.000 0.514 162 T N 2.291 116.986 114.554 0.236 0.000 2.728 162 T HA 0.523 4.873 4.350 -0.000 0.000 0.296 162 T C 0.231 175.054 174.700 0.205 0.000 0.940 162 T CA -0.271 61.951 62.100 0.204 0.000 1.013 162 T CB 1.755 70.699 68.868 0.126 0.000 0.912 162 T HN 0.666 nan 8.240 nan 0.000 0.484 163 L N 5.274 126.601 121.223 0.174 0.000 2.513 163 L HA 0.152 4.492 4.340 -0.000 0.000 0.272 163 L C 0.647 177.437 176.870 -0.134 0.000 1.187 163 L CA 0.531 55.293 54.840 -0.131 0.000 0.895 163 L CB -0.097 41.865 42.059 -0.162 0.000 1.147 163 L HN 0.711 nan 8.230 nan 0.000 0.483 164 L N 4.599 125.692 121.223 -0.217 0.000 2.286 164 L HA 0.489 4.828 4.340 -0.000 0.000 0.203 164 L C 1.056 177.842 176.870 -0.140 0.000 1.068 164 L CA 0.472 55.211 54.840 -0.168 0.000 0.811 164 L CB -0.324 41.594 42.059 -0.235 0.000 0.989 164 L HN 0.856 nan 8.230 nan 0.000 0.467 165 G N -1.225 107.491 108.800 -0.141 0.000 2.325 165 G HA2 0.429 4.389 3.960 -0.000 0.000 0.297 165 G HA3 0.429 4.389 3.960 -0.000 0.000 0.297 165 G C -1.499 173.463 174.900 0.103 0.000 1.448 165 G CA -0.133 44.954 45.100 -0.022 0.000 0.838 165 G HN 0.144 nan 8.290 nan 0.000 0.579 166 G N -1.801 107.101 108.800 0.169 0.000 2.816 166 G HA2 0.511 4.471 3.960 -0.000 0.000 0.288 166 G HA3 0.511 4.471 3.960 -0.000 0.000 0.288 166 G C 0.204 175.210 174.900 0.178 0.000 1.334 166 G CA -0.360 44.833 45.100 0.154 0.000 0.978 166 G HN 0.638 nan 8.290 nan 0.000 0.493 167 Y N 0.315 120.453 120.300 -0.268 0.000 2.293 167 Y HA 0.069 4.619 4.550 -0.000 0.000 0.291 167 Y C 1.833 177.736 175.900 0.005 0.000 1.137 167 Y CA 1.189 59.115 58.100 -0.289 0.000 1.202 167 Y CB -0.038 38.187 38.460 -0.391 0.000 0.990 167 Y HN 0.288 nan 8.280 nan 0.000 0.537 168 T N 1.881 116.446 114.554 0.018 0.000 2.856 168 T HA 0.085 4.435 4.350 -0.000 0.000 0.292 168 T C 0.242 174.913 174.700 -0.049 0.000 0.980 168 T CA -0.366 61.705 62.100 -0.049 0.000 1.091 168 T CB 0.413 69.275 68.868 -0.010 0.000 0.936 168 T HN 0.311 nan 8.240 nan 0.000 0.503 169 N N 1.754 120.393 118.700 -0.102 0.000 2.754 169 N HA -0.157 4.583 4.740 -0.000 0.000 0.248 169 N C -0.717 174.759 175.510 -0.057 0.000 1.093 169 N CA 0.211 53.211 53.050 -0.083 0.000 0.699 169 N CB -0.441 38.018 38.487 -0.047 0.000 1.016 169 N HN 0.708 nan 8.380 nan 0.000 0.552 170 D N 0.458 120.814 120.400 -0.074 0.000 2.671 170 D HA 0.097 4.737 4.640 -0.000 0.000 0.228 170 D C 1.731 178.014 176.300 -0.028 0.000 1.102 170 D CA 0.499 54.520 54.000 0.036 0.000 1.044 170 D CB 0.131 41.097 40.800 0.277 0.000 1.113 170 D HN 0.380 nan 8.370 nan 0.000 0.480 171 T N -0.470 114.059 114.554 -0.041 0.000 2.867 171 T HA -0.244 4.106 4.350 -0.000 0.000 0.268 171 T C 1.514 176.192 174.700 -0.036 0.000 1.057 171 T CA 0.948 63.017 62.100 -0.051 0.000 1.136 171 T CB -0.242 68.597 68.868 -0.048 0.000 0.874 171 T HN 0.412 nan 8.240 nan 0.000 0.466 172 Q N 1.133 120.917 119.800 -0.027 0.000 2.472 172 Q HA 0.195 4.535 4.340 -0.000 0.000 0.208 172 Q C 0.035 176.009 176.000 -0.043 0.000 0.958 172 Q CA 0.200 55.980 55.803 -0.039 0.000 0.932 172 Q CB -0.532 28.173 28.738 -0.054 0.000 1.007 172 Q HN 0.626 nan 8.270 nan 0.000 0.508 173 N N -0.049 118.646 118.700 -0.008 0.000 2.771 173 N HA -0.163 4.577 4.740 -0.000 0.000 0.249 173 N C -0.092 175.354 175.510 -0.106 0.000 1.069 173 N CA 0.068 53.126 53.050 0.013 0.000 0.688 173 N CB -1.135 37.350 38.487 -0.004 0.000 0.928 173 N HN 0.264 nan 8.380 nan 0.000 0.551 174 L N -1.385 119.725 121.223 -0.188 0.000 2.313 174 L HA 0.140 4.480 4.340 -0.000 0.000 0.214 174 L C 0.423 176.820 176.870 -0.788 0.000 1.119 174 L CA 0.921 55.433 54.840 -0.548 0.000 0.809 174 L CB -0.066 41.505 42.059 -0.812 0.000 0.933 174 L HN 0.183 nan 8.230 nan 0.000 0.449 175 F N -2.606 117.259 119.950 -0.141 0.000 2.639 175 F HA 0.399 4.926 4.527 -0.000 0.000 0.339 175 F C 0.258 175.841 175.800 -0.362 0.000 1.071 175 F CA -1.034 56.816 58.000 -0.251 0.000 0.994 175 F CB 0.736 39.710 39.000 -0.044 0.000 1.341 175 F HN -0.249 nan 8.300 nan 0.000 0.498 176 H N -0.311 118.747 119.070 -0.021 0.000 2.487 176 H HA 0.347 4.903 4.556 -0.000 0.000 0.333 176 H C -0.663 174.476 175.328 -0.314 0.000 1.114 176 H CA -0.491 55.500 56.048 -0.094 0.000 1.310 176 H CB 0.798 30.562 29.762 0.004 0.000 1.462 176 H HN 0.451 nan 8.280 nan 0.000 0.516 177 H N 2.695 121.885 119.070 0.199 0.000 2.471 177 H HA 0.142 4.698 4.556 -0.000 0.000 0.234 177 H C -0.241 175.102 175.328 0.026 0.000 1.388 177 H CA -0.312 55.773 56.048 0.061 0.000 1.198 177 H CB 0.176 29.877 29.762 -0.102 0.000 1.714 177 H HN 0.650 nan 8.280 nan 0.000 0.536 178 N N 0.958 119.713 118.700 0.092 0.000 2.338 178 N HA 0.170 4.910 4.740 -0.000 0.000 0.251 178 N C 1.175 176.679 175.510 -0.009 0.000 1.199 178 N CA 0.507 53.565 53.050 0.013 0.000 0.879 178 N CB 1.945 40.407 38.487 -0.041 0.000 1.159 178 N HN 0.666 nan 8.380 nan 0.000 0.514 179 G N 0.032 108.846 108.800 0.022 0.000 2.642 179 G HA2 -0.139 3.821 3.960 -0.000 0.000 0.231 179 G HA3 -0.139 3.821 3.960 -0.000 0.000 0.231 179 G C -0.061 174.807 174.900 -0.052 0.000 1.338 179 G CA -0.479 44.614 45.100 -0.012 0.000 0.883 179 G HN 0.465 nan 8.290 nan 0.000 0.570 180 G N -1.118 107.626 108.800 -0.094 0.000 2.410 180 G HA2 0.693 4.653 3.960 -0.000 0.000 0.330 180 G HA3 0.693 4.653 3.960 -0.000 0.000 0.330 180 G C 0.190 174.959 174.900 -0.219 0.000 1.142 180 G CA 1.041 46.046 45.100 -0.158 0.000 0.902 180 G HN 1.297 nan 8.290 nan 0.000 0.491 181 T N -0.898 113.451 114.554 -0.343 0.000 2.898 181 T HA 0.264 4.614 4.350 -0.000 0.000 0.301 181 T C 0.743 175.145 174.700 -0.496 0.000 1.049 181 T CA 0.267 62.090 62.100 -0.463 0.000 1.095 181 T CB 0.856 69.302 68.868 -0.703 0.000 0.976 181 T HN 0.625 nan 8.240 nan 0.000 0.539 182 D N 1.443 121.625 120.400 -0.364 0.000 2.503 182 D HA 0.068 4.708 4.640 -0.000 0.000 0.218 182 D C 0.536 176.889 176.300 0.087 0.000 1.183 182 D CA -0.344 53.581 54.000 -0.125 0.000 0.827 182 D CB -0.668 40.101 40.800 -0.051 0.000 1.034 182 D HN 0.597 nan 8.370 nan 0.000 0.510 183 F N 0.696 120.596 119.950 -0.082 0.000 3.048 183 F HA -0.314 4.213 4.527 -0.000 0.000 0.287 183 F C 1.854 177.629 175.800 -0.042 0.000 0.796 183 F CA 0.746 58.713 58.000 -0.055 0.000 1.111 183 F CB -2.658 36.307 39.000 -0.059 0.000 1.320 183 F HN 0.163 nan 8.300 nan 0.000 0.430 184 S N -1.549 114.193 115.700 0.071 0.000 2.423 184 S HA 0.074 4.544 4.470 -0.000 0.000 0.231 184 S C 0.942 175.560 174.600 0.030 0.000 1.014 184 S CA 1.116 59.342 58.200 0.044 0.000 0.965 184 S CB -0.050 63.153 63.200 0.005 0.000 0.785 184 S HN 0.771 nan 8.310 nan 0.000 0.495 185 T N -3.655 110.900 114.554 0.002 0.000 2.843 185 T HA 0.482 4.832 4.350 -0.000 0.000 0.302 185 T C 0.616 175.293 174.700 -0.039 0.000 1.232 185 T CA -0.199 61.896 62.100 -0.009 0.000 1.009 185 T CB 1.184 70.027 68.868 -0.042 0.000 1.254 185 T HN -0.102 nan 8.240 nan 0.000 0.504 186 T N 0.512 115.054 114.554 -0.019 0.000 2.708 186 T HA -0.093 4.256 4.350 -0.000 0.000 0.266 186 T C 1.645 176.211 174.700 -0.224 0.000 1.037 186 T CA 1.826 63.896 62.100 -0.050 0.000 1.146 186 T CB -0.474 68.471 68.868 0.128 0.000 0.865 186 T HN 0.819 nan 8.240 nan 0.000 0.435 187 E N 1.271 121.229 120.200 -0.404 0.000 2.085 187 E HA -0.252 4.098 4.350 -0.000 0.000 0.194 187 E C 2.310 178.749 176.600 -0.268 0.000 0.994 187 E CA 1.107 57.101 56.400 -0.677 0.000 0.801 187 E CB -0.223 28.900 29.700 -0.962 0.000 0.743 187 E HN 0.365 nan 8.360 nan 0.000 0.453 188 N N 0.256 118.834 118.700 -0.203 0.000 2.104 188 N HA -0.140 4.600 4.740 -0.000 0.000 0.190 188 N C 1.892 177.291 175.510 -0.184 0.000 1.024 188 N CA 1.657 54.613 53.050 -0.156 0.000 0.853 188 N CB -0.410 37.995 38.487 -0.138 0.000 1.008 188 N HN 0.256 nan 8.380 nan 0.000 0.424 189 G N 0.073 108.765 108.800 -0.179 0.000 2.598 189 G HA2 0.010 3.970 3.960 -0.000 0.000 0.215 189 G HA3 0.010 3.970 3.960 -0.000 0.000 0.215 189 G C 1.657 176.522 174.900 -0.059 0.000 1.131 189 G CA 0.057 45.085 45.100 -0.120 0.000 0.785 189 G HN 0.338 nan 8.290 nan 0.000 0.539 190 I N -1.432 119.001 120.570 -0.228 0.000 2.729 190 I HA 0.098 4.268 4.170 -0.000 0.000 0.256 190 I C 1.488 177.282 176.117 -0.539 0.000 1.115 190 I CA 0.392 61.453 61.300 -0.397 0.000 1.446 190 I CB 0.188 37.801 38.000 -0.644 0.000 1.176 190 I HN 0.071 nan 8.210 nan 0.000 0.446 191 Y N 1.445 121.606 120.300 -0.232 0.000 2.466 191 Y HA 0.226 4.776 4.550 -0.000 0.000 0.272 191 Y C 0.648 176.313 175.900 -0.391 0.000 1.169 191 Y CA 0.049 57.884 58.100 -0.441 0.000 1.285 191 Y CB -0.133 38.096 38.460 -0.384 0.000 1.078 191 Y HN -0.044 nan 8.280 nan 0.000 0.523 192 K N 0.143 120.450 120.400 -0.154 0.000 2.350 192 K HA 0.306 4.626 4.320 -0.000 0.000 0.241 192 K C -0.708 175.816 176.600 -0.126 0.000 0.994 192 K CA -1.218 54.992 56.287 -0.128 0.000 0.839 192 K CB 1.027 33.432 32.500 -0.159 0.000 1.244 192 K HN -0.125 nan 8.250 nan 0.000 0.443 193 N N 1.190 119.821 118.700 -0.116 0.000 2.508 193 N HA 0.155 4.895 4.740 -0.000 0.000 0.264 193 N C -0.525 174.850 175.510 -0.224 0.000 1.216 193 N CA -0.070 52.898 53.050 -0.136 0.000 0.943 193 N CB 0.422 38.827 38.487 -0.136 0.000 1.113 193 N HN 0.337 nan 8.380 nan 0.000 0.447 194 L N 3.279 124.385 121.223 -0.196 0.000 2.265 194 L HA 0.206 4.546 4.340 -0.000 0.000 0.288 194 L C 0.199 177.041 176.870 -0.046 0.000 1.058 194 L CA -0.251 54.462 54.840 -0.211 0.000 0.809 194 L CB -0.058 41.938 42.059 -0.104 0.000 1.179 194 L HN 0.606 nan 8.230 nan 0.000 0.429 195 Y N 1.393 121.575 120.300 -0.198 0.000 2.877 195 Y HA -0.434 4.116 4.550 -0.000 0.000 0.467 195 Y C 1.205 176.992 175.900 -0.188 0.000 1.184 195 Y CA 1.632 59.629 58.100 -0.173 0.000 2.567 195 Y CB -0.743 37.611 38.460 -0.177 0.000 1.217 195 Y HN 0.824 nan 8.280 nan 0.000 0.629 196 D N 0.615 121.030 120.400 0.026 0.000 2.462 196 D HA 0.252 4.892 4.640 -0.000 0.000 0.221 196 D C -0.561 175.612 176.300 -0.211 0.000 1.173 196 D CA 0.073 54.021 54.000 -0.086 0.000 0.831 196 D CB -0.698 40.087 40.800 -0.024 0.000 1.001 196 D HN 0.393 nan 8.370 nan 0.000 0.499 197 L N 1.006 122.074 121.223 -0.258 0.000 2.367 197 L HA 0.472 4.812 4.340 -0.000 0.000 0.275 197 L C 0.751 177.380 176.870 -0.402 0.000 1.129 197 L CA -1.074 53.528 54.840 -0.396 0.000 0.839 197 L CB 0.950 42.643 42.059 -0.610 0.000 1.133 197 L HN -0.012 nan 8.230 nan 0.000 0.453 198 A N 2.459 124.970 122.820 -0.515 0.000 2.473 198 A HA 0.045 4.365 4.320 -0.000 0.000 0.282 198 A C -0.043 177.471 177.584 -0.116 0.000 1.163 198 A CA -0.263 51.360 52.037 -0.691 0.000 0.827 198 A CB -0.475 17.870 19.000 -1.091 0.000 1.098 198 A HN 0.747 nan 8.150 nan 0.000 0.515 199 D N 2.319 122.695 120.400 -0.040 0.000 2.417 199 D HA 0.311 4.950 4.640 -0.000 0.000 0.250 199 D C 0.049 176.400 176.300 0.086 0.000 1.166 199 D CA 0.357 54.422 54.000 0.109 0.000 0.881 199 D CB 0.357 41.255 40.800 0.164 0.000 1.164 199 D HN 0.481 nan 8.370 nan 0.000 0.467 200 L N 3.498 124.676 121.223 -0.075 0.000 2.380 200 L HA 0.179 4.519 4.340 -0.000 0.000 0.273 200 L C 0.559 176.925 176.870 -0.839 0.000 1.138 200 L CA -0.411 54.157 54.840 -0.454 0.000 0.832 200 L CB 0.522 42.245 42.059 -0.560 0.000 1.124 200 L HN 0.408 nan 8.230 nan 0.000 0.454 201 N N 0.994 119.154 118.700 -0.900 0.000 2.558 201 N HA 0.122 4.862 4.740 -0.000 0.000 0.233 201 N C 0.513 175.625 175.510 -0.662 0.000 1.038 201 N CA -0.270 52.271 53.050 -0.848 0.000 0.934 201 N CB 0.398 38.501 38.487 -0.639 0.000 1.175 201 N HN 0.428 nan 8.380 nan 0.000 0.512 202 H N 0.874 119.678 119.070 -0.444 0.000 2.545 202 H HA -0.000 4.556 4.556 -0.000 0.000 0.282 202 H C 1.492 176.665 175.328 -0.258 0.000 1.020 202 H CA 0.704 56.388 56.048 -0.606 0.000 1.243 202 H CB 0.247 29.194 29.762 -1.359 0.000 1.377 202 H HN 0.589 nan 8.280 nan 0.000 0.581 203 N N 0.926 119.613 118.700 -0.023 0.000 2.463 203 N HA -0.122 4.618 4.740 -0.000 0.000 0.181 203 N C 0.191 175.712 175.510 0.018 0.000 1.078 203 N CA -0.024 53.069 53.050 0.071 0.000 0.902 203 N CB 0.097 38.663 38.487 0.131 0.000 0.970 203 N HN 0.269 nan 8.380 nan 0.000 0.451 204 N N 1.204 119.861 118.700 -0.071 0.000 2.442 204 N HA -0.019 4.721 4.740 -0.000 0.000 0.265 204 N C 0.521 176.013 175.510 -0.029 0.000 1.138 204 N CA 0.187 53.191 53.050 -0.076 0.000 0.956 204 N CB 1.466 39.854 38.487 -0.166 0.000 1.067 204 N HN -0.030 nan 8.380 nan 0.000 0.474 205 S N 2.704 118.412 115.700 0.013 0.000 2.372 205 S HA -0.161 4.309 4.470 -0.000 0.000 0.227 205 S C 1.500 176.132 174.600 0.054 0.000 1.044 205 S CA 2.048 60.279 58.200 0.052 0.000 1.050 205 S CB -0.083 63.147 63.200 0.050 0.000 0.901 205 S HN 0.783 nan 8.310 nan 0.000 0.447 206 T N 1.426 115.986 114.554 0.010 0.000 2.684 206 T HA -0.087 4.263 4.350 -0.000 0.000 0.267 206 T C 1.843 176.568 174.700 0.041 0.000 1.036 206 T CA 1.531 63.639 62.100 0.014 0.000 1.148 206 T CB -0.488 68.352 68.868 -0.047 0.000 0.863 206 T HN 0.250 nan 8.240 nan 0.000 0.436 207 V N 1.772 121.662 119.914 -0.040 0.000 2.295 207 V HA -0.198 3.922 4.120 -0.000 0.000 0.246 207 V C 2.396 178.570 176.094 0.132 0.000 1.049 207 V CA 2.100 64.371 62.300 -0.049 0.000 1.024 207 V CB -0.700 30.959 31.823 -0.273 0.000 0.648 207 V HN 0.506 nan 8.190 nan 0.000 0.447 208 D N 0.130 120.627 120.400 0.162 0.000 2.087 208 D HA -0.172 4.468 4.640 -0.000 0.000 0.192 208 D C 2.029 178.545 176.300 0.361 0.000 0.993 208 D CA 1.893 56.120 54.000 0.378 0.000 0.828 208 D CB -0.202 40.818 40.800 0.367 0.000 0.968 208 D HN 0.174 nan 8.370 nan 0.000 0.448 209 V N -0.157 119.902 119.914 0.241 0.000 2.295 209 V HA -0.237 3.883 4.120 -0.000 0.000 0.246 209 V C 2.181 178.395 176.094 0.200 0.000 1.049 209 V CA 2.010 64.423 62.300 0.188 0.000 1.024 209 V CB -0.924 30.981 31.823 0.137 0.000 0.648 209 V HN 0.353 nan 8.190 nan 0.000 0.447 210 Y N 0.198 120.563 120.300 0.109 0.000 2.097 210 Y HA -0.270 4.280 4.550 -0.000 0.000 0.282 210 Y C 2.251 178.248 175.900 0.162 0.000 1.152 210 Y CA 1.795 59.960 58.100 0.109 0.000 1.136 210 Y CB -0.365 38.137 38.460 0.070 0.000 0.975 210 Y HN 0.123 nan 8.280 nan 0.000 0.498 211 L N 0.914 122.256 121.223 0.198 0.000 2.042 211 L HA -0.209 4.131 4.340 -0.000 0.000 0.210 211 L C 2.306 179.370 176.870 0.323 0.000 1.076 211 L CA 1.805 56.775 54.840 0.217 0.000 0.749 211 L CB -1.145 41.175 42.059 0.435 0.000 0.893 211 L HN 0.249 nan 8.230 nan 0.000 0.432 212 K N -0.793 119.776 120.400 0.281 0.000 2.097 212 K HA -0.146 4.174 4.320 -0.000 0.000 0.205 212 K C 1.740 178.327 176.600 -0.021 0.000 1.050 212 K CA 1.255 57.608 56.287 0.110 0.000 0.938 212 K CB -0.066 32.470 32.500 0.060 0.000 0.718 212 K HN 0.242 nan 8.250 nan 0.000 0.442 213 D N 0.457 120.839 120.400 -0.030 0.000 2.117 213 D HA -0.106 4.534 4.640 -0.000 0.000 0.198 213 D C 1.794 178.039 176.300 -0.091 0.000 0.982 213 D CA 1.209 55.157 54.000 -0.087 0.000 0.828 213 D CB -0.164 40.596 40.800 -0.067 0.000 0.967 213 D HN 0.192 nan 8.370 nan 0.000 0.464 214 A N 0.879 123.643 122.820 -0.094 0.000 1.858 214 A HA -0.176 4.144 4.320 -0.000 0.000 0.216 214 A C 2.255 179.964 177.584 0.208 0.000 1.190 214 A CA 1.080 53.142 52.037 0.041 0.000 0.617 214 A CB -0.831 18.224 19.000 0.092 0.000 0.827 214 A HN 0.211 nan 8.150 nan 0.000 0.443 215 I N -0.422 120.262 120.570 0.190 0.000 2.264 215 I HA -0.227 3.943 4.170 -0.000 0.000 0.248 215 I C 2.111 178.251 176.117 0.039 0.000 1.111 215 I CA 1.830 63.149 61.300 0.032 0.000 1.382 215 I CB -0.250 37.647 38.000 -0.172 0.000 1.060 215 I HN 0.215 nan 8.210 nan 0.000 0.418 216 K N -0.270 120.110 120.400 -0.034 0.000 2.103 216 K HA -0.219 4.101 4.320 -0.000 0.000 0.207 216 K C 2.165 178.772 176.600 0.012 0.000 1.048 216 K CA 2.019 58.281 56.287 -0.043 0.000 0.930 216 K CB -0.388 31.966 32.500 -0.244 0.000 0.716 216 K HN 0.452 nan 8.250 nan 0.000 0.444 217 M N -1.041 118.514 119.600 -0.076 0.000 2.086 217 M HA -0.192 4.288 4.480 -0.000 0.000 0.261 217 M C 1.315 177.474 176.300 -0.235 0.000 1.067 217 M CA 1.797 56.971 55.300 -0.211 0.000 1.116 217 M CB -0.212 32.148 32.600 -0.399 0.000 1.348 217 M HN 0.199 nan 8.290 nan 0.000 0.407 218 W N 0.678 121.966 121.300 -0.021 0.000 2.388 218 W HA -0.063 4.597 4.660 0.000 0.000 0.294 218 W C 2.048 178.591 176.519 0.040 0.000 1.212 218 W CA 0.700 58.027 57.345 -0.030 0.000 1.271 218 W CB -0.571 28.840 29.460 -0.082 0.000 1.126 218 W HN 0.200 nan 8.180 nan 0.000 0.535 219 L N -0.039 121.315 121.223 0.219 0.000 2.046 219 L HA -0.218 4.122 4.340 -0.000 0.000 0.208 219 L C 1.955 178.919 176.870 0.156 0.000 1.077 219 L CA 1.217 56.166 54.840 0.181 0.000 0.747 219 L CB -0.753 41.418 42.059 0.186 0.000 0.896 219 L HN -0.097 nan 8.230 nan 0.000 0.432 220 D N 0.066 120.552 120.400 0.144 0.000 2.218 220 D HA -0.117 4.523 4.640 -0.000 0.000 0.204 220 D C 2.206 178.560 176.300 0.090 0.000 0.976 220 D CA 1.066 55.129 54.000 0.105 0.000 0.853 220 D CB -0.037 40.812 40.800 0.082 0.000 0.939 220 D HN 0.296 nan 8.370 nan 0.000 0.481 221 L N -0.742 120.549 121.223 0.115 0.000 2.552 221 L HA 0.118 4.458 4.340 -0.000 0.000 0.227 221 L C 1.477 178.483 176.870 0.227 0.000 1.146 221 L CA 0.558 55.505 54.840 0.178 0.000 0.858 221 L CB -0.017 42.184 42.059 0.236 0.000 0.969 221 L HN 0.144 nan 8.230 nan 0.000 0.451 222 G N 0.738 109.660 108.800 0.203 0.000 2.148 222 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.203 222 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.203 222 G C 0.423 175.463 174.900 0.233 0.000 0.993 222 G CA 0.041 45.258 45.100 0.196 0.000 0.661 222 G HN 0.390 nan 8.290 nan 0.000 0.518 223 I N -2.271 118.460 120.570 0.268 0.000 3.045 223 I HA 0.383 4.552 4.170 -0.000 0.000 0.288 223 I C 0.558 176.823 176.117 0.246 0.000 1.238 223 I CA 0.336 61.792 61.300 0.259 0.000 1.396 223 I CB 0.516 38.680 38.000 0.274 0.000 1.355 223 I HN -0.069 nan 8.210 nan 0.000 0.601 224 D N 2.782 123.353 120.400 0.286 0.000 2.441 224 D HA 0.288 4.928 4.640 -0.000 0.000 0.210 224 D C 0.567 177.122 176.300 0.426 0.000 1.102 224 D CA 0.325 54.537 54.000 0.353 0.000 0.840 224 D CB 1.344 42.389 40.800 0.408 0.000 0.990 224 D HN 0.856 nan 8.370 nan 0.000 0.505 225 G N 0.381 109.345 108.800 0.272 0.000 2.576 225 G HA2 0.570 4.530 3.960 -0.000 0.000 0.290 225 G HA3 0.570 4.530 3.960 -0.000 0.000 0.290 225 G C -1.832 173.058 174.900 -0.016 0.000 1.442 225 G CA -0.665 44.508 45.100 0.121 0.000 0.792 225 G HN -0.010 nan 8.290 nan 0.000 0.491 226 I N 0.366 120.831 120.570 -0.174 0.000 2.619 226 I HA 0.491 4.661 4.170 -0.000 0.000 0.292 226 I C -0.260 175.415 176.117 -0.736 0.000 1.100 226 I CA -0.908 60.211 61.300 -0.301 0.000 1.043 226 I CB 2.502 40.398 38.000 -0.173 0.000 1.239 226 I HN 0.331 nan 8.210 nan 0.000 0.420 227 R N 7.435 127.423 120.500 -0.853 0.000 2.247 227 R HA 0.439 4.779 4.340 -0.000 0.000 0.329 227 R C -1.222 174.753 176.300 -0.542 0.000 1.014 227 R CA -0.608 54.701 56.100 -1.319 0.000 0.907 227 R CB 0.838 30.149 30.300 -1.648 0.000 1.146 227 R HN 0.575 nan 8.270 nan 0.000 0.499 228 M N 3.445 122.801 119.600 -0.405 0.000 2.146 228 M HA 0.096 4.576 4.480 -0.000 0.000 0.352 228 M C 0.220 176.509 176.300 -0.017 0.000 1.343 228 M CA -0.490 54.748 55.300 -0.103 0.000 1.115 228 M CB 0.269 32.848 32.600 -0.035 0.000 1.657 228 M HN 0.385 nan 8.290 nan 0.000 0.471 229 N N 2.505 121.243 118.700 0.063 0.000 2.518 229 N HA 0.322 5.062 4.740 -0.000 0.000 0.266 229 N C 0.116 175.683 175.510 0.094 0.000 1.196 229 N CA 0.579 53.704 53.050 0.125 0.000 0.947 229 N CB 0.674 39.269 38.487 0.181 0.000 1.098 229 N HN 0.801 nan 8.380 nan 0.000 0.450 230 A N 2.020 124.918 122.820 0.130 0.000 2.311 230 A HA -0.167 4.153 4.320 -0.000 0.000 0.284 230 A C 1.415 179.038 177.584 0.064 0.000 1.409 230 A CA 1.030 53.169 52.037 0.170 0.000 0.764 230 A CB -2.148 17.005 19.000 0.256 0.000 1.095 230 A HN 1.113 nan 8.150 nan 0.000 0.369 231 V N -1.106 118.790 119.914 -0.030 0.000 2.867 231 V HA -0.156 3.964 4.120 -0.000 0.000 0.260 231 V C 1.875 177.779 176.094 -0.316 0.000 1.099 231 V CA 2.452 64.688 62.300 -0.106 0.000 1.122 231 V CB -0.642 31.118 31.823 -0.106 0.000 0.708 231 V HN 0.775 nan 8.190 nan 0.000 0.490 232 K N -0.523 119.504 120.400 -0.622 0.000 2.525 232 K HA -0.049 4.271 4.320 -0.000 0.000 0.192 232 K C 1.307 177.412 176.600 -0.824 0.000 1.029 232 K CA 0.808 56.421 56.287 -1.124 0.000 1.029 232 K CB -0.133 31.288 32.500 -1.798 0.000 0.814 232 K HN 0.727 nan 8.250 nan 0.000 0.503 233 H N -0.441 118.525 119.070 -0.174 0.000 2.581 233 H HA 0.262 4.818 4.556 -0.000 0.000 0.275 233 H C -0.296 174.967 175.328 -0.108 0.000 1.126 233 H CA -0.055 55.905 56.048 -0.147 0.000 1.097 233 H CB 0.267 29.962 29.762 -0.113 0.000 1.626 233 H HN 0.140 nan 8.280 nan 0.000 0.565 234 M N 1.126 120.745 119.600 0.032 0.000 2.518 234 M HA 0.357 4.837 4.480 -0.000 0.000 0.300 234 M C -2.700 173.636 176.300 0.059 0.000 1.175 234 M CA -1.974 53.349 55.300 0.038 0.000 0.890 234 M CB 2.857 35.502 32.600 0.074 0.000 1.710 234 M HN -0.222 nan 8.290 nan 0.000 0.453 235 P HA 0.005 nan 4.420 nan 0.000 0.263 235 P C -0.021 177.462 177.300 0.305 0.000 1.195 235 P CA 0.075 63.173 63.100 -0.003 0.000 0.762 235 P CB 0.093 31.863 31.700 0.117 0.000 0.799 236 F N 2.447 122.531 119.950 0.224 0.000 2.134 236 F HA -0.084 4.443 4.527 -0.000 0.000 0.299 236 F C 2.524 178.439 175.800 0.192 0.000 1.097 236 F CA 1.615 59.811 58.000 0.327 0.000 1.264 236 F CB -2.278 36.985 39.000 0.439 0.000 1.001 236 F HN 0.360 nan 8.300 nan 0.000 0.479 237 G N -1.173 107.798 108.800 0.284 0.000 2.418 237 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.217 237 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.217 237 G C 1.589 176.616 174.900 0.211 0.000 1.158 237 G CA 0.633 45.859 45.100 0.209 0.000 0.771 237 G HN 0.479 nan 8.290 nan 0.000 0.545 238 W N 1.418 122.788 121.300 0.118 0.000 2.355 238 W HA -0.100 4.560 4.660 -0.000 0.000 0.309 238 W C 2.829 179.415 176.519 0.112 0.000 1.206 238 W CA 1.790 59.196 57.345 0.101 0.000 1.284 238 W CB -0.145 29.344 29.460 0.049 0.000 1.145 238 W HN 0.297 nan 8.180 nan 0.000 0.502 239 Q N 0.196 120.074 119.800 0.130 0.000 2.124 239 Q HA -0.274 4.066 4.340 -0.000 0.000 0.202 239 Q C 2.194 178.133 176.000 -0.102 0.000 0.977 239 Q CA 1.933 57.714 55.803 -0.038 0.000 0.850 239 Q CB -0.504 28.400 28.738 0.278 0.000 0.901 239 Q HN 0.373 nan 8.270 nan 0.000 0.429 240 K N 0.842 121.213 120.400 -0.048 0.000 2.057 240 K HA -0.164 4.156 4.320 -0.000 0.000 0.207 240 K C 2.283 178.815 176.600 -0.114 0.000 1.049 240 K CA 1.612 57.852 56.287 -0.079 0.000 0.931 240 K CB -0.080 32.397 32.500 -0.038 0.000 0.714 240 K HN 0.202 nan 8.250 nan 0.000 0.440 241 S N -0.119 115.484 115.700 -0.161 0.000 2.402 241 S HA -0.159 4.311 4.470 -0.000 0.000 0.229 241 S C 1.881 176.319 174.600 -0.270 0.000 1.021 241 S CA 0.692 58.781 58.200 -0.184 0.000 0.974 241 S CB -0.592 62.523 63.200 -0.141 0.000 0.800 241 S HN 0.447 nan 8.310 nan 0.000 0.484 242 F N 2.074 121.655 119.950 -0.615 0.000 2.113 242 F HA 0.053 4.580 4.527 -0.000 0.000 0.297 242 F C 2.292 177.916 175.800 -0.294 0.000 1.103 242 F CA 1.415 59.064 58.000 -0.584 0.000 1.248 242 F CB -0.253 38.192 39.000 -0.925 0.000 0.999 242 F HN 0.100 nan 8.300 nan 0.000 0.475 243 M N 0.515 120.068 119.600 -0.078 0.000 2.159 243 M HA -0.110 4.370 4.480 -0.000 0.000 0.263 243 M C 2.497 178.711 176.300 -0.143 0.000 1.063 243 M CA 1.506 56.752 55.300 -0.089 0.000 1.110 243 M CB -2.055 30.520 32.600 -0.041 0.000 1.374 243 M HN 0.329 nan 8.290 nan 0.000 0.411 244 A N 0.105 122.842 122.820 -0.139 0.000 1.898 244 A HA 0.027 4.347 4.320 -0.000 0.000 0.216 244 A C 2.456 179.968 177.584 -0.121 0.000 1.181 244 A CA 2.007 53.980 52.037 -0.106 0.000 0.620 244 A CB -0.903 18.047 19.000 -0.083 0.000 0.819 244 A HN 0.456 nan 8.150 nan 0.000 0.442 245 A N -0.508 122.193 122.820 -0.198 0.000 1.883 245 A HA -0.045 4.275 4.320 -0.000 0.000 0.217 245 A C 2.262 179.735 177.584 -0.184 0.000 1.186 245 A CA 1.930 53.841 52.037 -0.210 0.000 0.624 245 A CB -1.029 17.785 19.000 -0.309 0.000 0.822 245 A HN 0.384 nan 8.150 nan 0.000 0.444 246 V N 0.953 120.695 119.914 -0.287 0.000 2.261 246 V HA -0.264 3.856 4.120 -0.000 0.000 0.246 246 V C 2.293 178.362 176.094 -0.042 0.000 1.047 246 V CA 2.251 64.440 62.300 -0.186 0.000 1.015 246 V CB -0.997 30.665 31.823 -0.268 0.000 0.642 246 V HN 0.572 nan 8.190 nan 0.000 0.446 247 N N 0.892 119.562 118.700 -0.051 0.000 2.223 247 N HA -0.116 4.624 4.740 -0.000 0.000 0.185 247 N C 1.403 176.927 175.510 0.023 0.000 1.016 247 N CA 1.156 54.206 53.050 -0.001 0.000 0.863 247 N CB -0.554 37.932 38.487 -0.002 0.000 0.983 247 N HN 0.467 nan 8.380 nan 0.000 0.429 248 N N -0.454 118.259 118.700 0.021 0.000 2.461 248 N HA -0.054 4.686 4.740 -0.000 0.000 0.188 248 N C 0.678 176.254 175.510 0.109 0.000 1.134 248 N CA 0.183 53.260 53.050 0.045 0.000 0.878 248 N CB 0.193 38.694 38.487 0.022 0.000 0.972 248 N HN 0.374 nan 8.380 nan 0.000 0.456 249 Y N 0.768 121.038 120.300 -0.049 0.000 2.972 249 Y HA 0.348 4.898 4.550 -0.000 0.000 0.211 249 Y C -0.445 175.440 175.900 -0.025 0.000 0.969 249 Y CA 0.465 58.538 58.100 -0.044 0.000 1.574 249 Y CB 0.632 39.051 38.460 -0.068 0.000 1.364 249 Y HN -0.323 nan 8.280 nan 0.000 0.467 250 K N 2.314 122.611 120.400 -0.172 0.000 2.723 250 K HA 0.317 4.637 4.320 -0.000 0.000 0.229 250 K C -2.927 173.650 176.600 -0.038 0.000 1.022 250 K CA -2.073 54.085 56.287 -0.215 0.000 1.045 250 K CB 1.721 34.018 32.500 -0.338 0.000 1.227 250 K HN 0.048 nan 8.250 nan 0.000 0.516 251 P HA 0.007 nan 4.420 nan 0.000 0.267 251 P C -0.427 176.924 177.300 0.085 0.000 1.205 251 P CA -0.309 62.818 63.100 0.045 0.000 0.765 251 P CB 0.888 32.629 31.700 0.068 0.000 0.828 252 V N 1.167 121.146 119.914 0.108 0.000 2.841 252 V HA 0.500 4.620 4.120 -0.000 0.000 0.310 252 V C -0.452 175.770 176.094 0.214 0.000 1.090 252 V CA -1.428 60.980 62.300 0.180 0.000 0.930 252 V CB 1.699 33.616 31.823 0.156 0.000 1.014 252 V HN 0.294 nan 8.190 nan 0.000 0.425 253 F N 3.188 123.238 119.950 0.166 0.000 2.593 253 F HA 0.469 4.996 4.527 -0.000 0.000 0.393 253 F C 0.488 176.307 175.800 0.032 0.000 1.037 253 F CA 1.081 59.149 58.000 0.114 0.000 1.195 253 F CB 0.009 39.057 39.000 0.081 0.000 1.034 253 F HN 0.794 nan 8.300 nan 0.000 0.552 254 T N 8.280 122.528 114.554 -0.509 0.000 2.848 254 T HA 0.590 4.940 4.350 -0.000 0.000 0.285 254 T C -1.152 173.256 174.700 -0.487 0.000 0.995 254 T CA -0.311 61.522 62.100 -0.445 0.000 0.970 254 T CB 0.928 69.687 68.868 -0.180 0.000 0.976 254 T HN 0.383 nan 8.240 nan 0.000 0.441 255 F N -0.232 119.396 119.950 -0.536 0.000 2.565 255 F HA 0.891 5.418 4.527 -0.000 0.000 0.313 255 F C 0.022 175.733 175.800 -0.149 0.000 1.091 255 F CA -1.439 56.351 58.000 -0.351 0.000 0.915 255 F CB 1.018 39.784 39.000 -0.390 0.000 1.208 255 F HN 0.691 nan 8.300 nan 0.000 0.453 256 G N 1.271 110.128 108.800 0.095 0.000 2.471 256 G HA2 0.456 4.416 3.960 -0.000 0.000 0.332 256 G HA3 0.456 4.416 3.960 -0.000 0.000 0.332 256 G C -1.861 173.168 174.900 0.215 0.000 1.176 256 G CA -0.890 44.268 45.100 0.096 0.000 0.949 256 G HN 0.853 nan 8.290 nan 0.000 0.488 257 Q N 0.733 120.651 119.800 0.196 0.000 2.390 257 Q HA 0.130 4.470 4.340 -0.000 0.000 0.249 257 Q C -1.418 174.734 176.000 0.254 0.000 0.996 257 Q CA -0.744 55.255 55.803 0.326 0.000 0.899 257 Q CB 0.849 29.794 28.738 0.344 0.000 1.216 257 Q HN 0.588 nan 8.270 nan 0.000 0.465 258 W N 7.729 129.083 121.300 0.089 0.000 2.443 258 W HA 0.241 4.901 4.660 -0.000 0.000 0.303 258 W C -1.677 174.717 176.519 -0.210 0.000 0.991 258 W CA -1.604 55.697 57.345 -0.073 0.000 1.522 258 W CB 0.086 29.463 29.460 -0.138 0.000 1.315 258 W HN 0.563 nan 8.180 nan 0.000 0.419 259 F N 5.547 125.303 119.950 -0.322 0.000 2.607 259 F HA 0.259 4.786 4.527 -0.000 0.000 0.374 259 F C -0.597 175.038 175.800 -0.275 0.000 1.104 259 F CA 0.860 58.370 58.000 -0.817 0.000 1.296 259 F CB 0.603 39.251 39.000 -0.587 0.000 1.085 259 F HN 0.160 nan 8.300 nan 0.000 0.584 260 L N 5.822 126.355 121.223 -1.150 0.000 2.408 260 L HA 0.545 4.885 4.340 -0.000 0.000 0.268 260 L C 0.389 176.802 176.870 -0.762 0.000 0.986 260 L CA -0.878 53.666 54.840 -0.492 0.000 0.820 260 L CB 1.774 43.781 42.059 -0.086 0.000 1.303 260 L HN 0.788 nan 8.230 nan 0.000 0.411 261 G N 1.213 109.886 108.800 -0.211 0.000 2.543 261 G HA2 0.498 4.457 3.960 -0.000 0.000 0.290 261 G HA3 0.498 4.457 3.960 -0.000 0.000 0.290 261 G C -0.209 174.692 174.900 0.001 0.000 1.310 261 G CA -0.605 44.483 45.100 -0.021 0.000 1.025 261 G HN 0.289 nan 8.290 nan 0.000 0.502 262 V N 1.750 121.693 119.914 0.050 0.000 2.617 262 V HA 0.011 4.131 4.120 -0.000 0.000 0.304 262 V C 0.846 176.960 176.094 0.034 0.000 1.040 262 V CA 0.337 62.661 62.300 0.039 0.000 1.149 262 V CB 0.582 32.430 31.823 0.042 0.000 0.914 262 V HN 0.914 nan 8.190 nan 0.000 0.487 263 N N 1.143 119.859 118.700 0.028 0.000 2.863 263 N HA -0.202 4.538 4.740 -0.000 0.000 0.245 263 N C 0.374 175.905 175.510 0.035 0.000 1.001 263 N CA 1.502 54.570 53.050 0.029 0.000 0.901 263 N CB -0.642 37.859 38.487 0.024 0.000 1.124 263 N HN 0.983 nan 8.380 nan 0.000 0.582 264 E N 1.046 121.269 120.200 0.037 0.000 2.167 264 E HA 0.378 4.728 4.350 -0.000 0.000 0.284 264 E C -0.840 175.785 176.600 0.042 0.000 1.016 264 E CA -0.347 56.077 56.400 0.040 0.000 0.817 264 E CB 0.900 30.625 29.700 0.042 0.000 1.080 264 E HN -0.008 nan 8.360 nan 0.000 0.397 265 V N 4.293 124.227 119.914 0.034 0.000 2.376 265 V HA 0.214 4.334 4.120 -0.000 0.000 0.287 265 V C -0.315 175.738 176.094 -0.068 0.000 1.015 265 V CA -0.634 61.684 62.300 0.029 0.000 0.834 265 V CB 1.432 33.301 31.823 0.077 0.000 1.001 265 V HN 0.611 nan 8.190 nan 0.000 0.428 266 S N 6.848 122.402 115.700 -0.243 0.000 2.456 266 S HA 0.545 5.015 4.470 -0.000 0.000 0.316 266 S C -1.696 172.431 174.600 -0.789 0.000 1.089 266 S CA -1.566 56.421 58.200 -0.355 0.000 1.101 266 S CB 2.012 65.098 63.200 -0.189 0.000 0.995 266 S HN 0.469 nan 8.310 nan 0.000 0.468 267 P HA -0.021 nan 4.420 nan 0.000 0.219 267 P C 1.045 178.198 177.300 -0.244 0.000 1.150 267 P CA 0.902 63.823 63.100 -0.298 0.000 0.814 267 P CB 0.191 31.866 31.700 -0.043 0.000 0.787 268 E N -0.448 119.645 120.200 -0.177 0.000 2.072 268 E HA -0.186 4.164 4.350 -0.000 0.000 0.191 268 E C 2.027 178.351 176.600 -0.460 0.000 0.985 268 E CA 0.743 57.098 56.400 -0.076 0.000 0.801 268 E CB -0.449 29.382 29.700 0.218 0.000 0.750 268 E HN 0.206 nan 8.360 nan 0.000 0.452 269 N N 0.963 119.134 118.700 -0.882 0.000 2.120 269 N HA -0.200 4.540 4.740 -0.000 0.000 0.188 269 N C 1.497 176.700 175.510 -0.511 0.000 1.024 269 N CA 1.546 53.798 53.050 -1.330 0.000 0.852 269 N CB -0.209 37.491 38.487 -1.312 0.000 1.003 269 N HN 0.396 nan 8.380 nan 0.000 0.424 270 H N 0.222 119.092 119.070 -0.334 0.000 2.321 270 H HA -0.075 4.480 4.556 -0.000 0.000 0.300 270 H C 2.245 177.503 175.328 -0.117 0.000 1.087 270 H CA 1.598 57.475 56.048 -0.285 0.000 1.319 270 H CB 0.033 29.565 29.762 -0.384 0.000 1.379 270 H HN 0.278 nan 8.280 nan 0.000 0.501 271 K N 0.779 121.188 120.400 0.016 0.000 2.057 271 K HA -0.195 4.125 4.320 -0.000 0.000 0.207 271 K C 2.005 178.630 176.600 0.043 0.000 1.049 271 K CA 1.388 57.699 56.287 0.039 0.000 0.931 271 K CB -0.204 32.333 32.500 0.062 0.000 0.714 271 K HN 0.191 nan 8.250 nan 0.000 0.440 272 F N 1.253 121.111 119.950 -0.153 0.000 2.102 272 F HA -0.144 4.382 4.527 -0.000 0.000 0.298 272 F C 2.068 177.835 175.800 -0.054 0.000 1.105 272 F CA 1.726 59.629 58.000 -0.162 0.000 1.239 272 F CB -0.462 38.339 39.000 -0.333 0.000 0.991 272 F HN 0.121 nan 8.300 nan 0.000 0.474 273 A N 0.135 123.087 122.820 0.219 0.000 1.969 273 A HA -0.174 4.146 4.320 -0.000 0.000 0.218 273 A C 1.909 179.551 177.584 0.097 0.000 1.169 273 A CA 1.788 53.949 52.037 0.207 0.000 0.635 273 A CB -0.759 18.457 19.000 0.360 0.000 0.810 273 A HN 0.507 nan 8.150 nan 0.000 0.445 274 N N -0.097 118.648 118.700 0.075 0.000 2.354 274 N HA -0.040 4.700 4.740 -0.000 0.000 0.179 274 N C 0.897 176.392 175.510 -0.025 0.000 1.021 274 N CA 1.343 54.415 53.050 0.036 0.000 0.887 274 N CB -0.028 38.479 38.487 0.034 0.000 0.974 274 N HN 0.733 nan 8.380 nan 0.000 0.437 275 E N -1.057 119.097 120.200 -0.076 0.000 2.676 275 E HA 0.116 4.466 4.350 -0.000 0.000 0.225 275 E C 0.967 177.454 176.600 -0.188 0.000 0.944 275 E CA 0.003 56.342 56.400 -0.101 0.000 1.156 275 E CB 0.413 30.082 29.700 -0.051 0.000 1.117 275 E HN 0.188 nan 8.360 nan 0.000 0.523 276 S N 0.170 115.657 115.700 -0.355 0.000 2.436 276 S HA 0.105 4.575 4.470 -0.000 0.000 0.228 276 S C 1.779 176.202 174.600 -0.296 0.000 1.014 276 S CA 0.884 58.778 58.200 -0.511 0.000 0.950 276 S CB 0.173 62.592 63.200 -1.303 0.000 0.784 276 S HN 0.364 nan 8.310 nan 0.000 0.504 277 G N 1.075 109.750 108.800 -0.208 0.000 2.192 277 G HA2 -0.154 3.806 3.960 -0.000 0.000 0.193 277 G HA3 -0.154 3.806 3.960 -0.000 0.000 0.193 277 G C -0.123 174.727 174.900 -0.083 0.000 0.999 277 G CA 0.028 45.051 45.100 -0.128 0.000 0.659 277 G HN 0.939 nan 8.290 nan 0.000 0.503 278 M N -0.213 119.329 119.600 -0.096 0.000 2.631 278 M HA 0.846 5.326 4.480 -0.000 0.000 0.288 278 M C 0.176 176.489 176.300 0.021 0.000 1.260 278 M CA -0.266 55.012 55.300 -0.037 0.000 0.842 278 M CB 1.902 34.502 32.600 0.001 0.000 1.743 278 M HN 0.613 nan 8.290 nan 0.000 0.461 279 S N 0.967 116.686 115.700 0.032 0.000 2.718 279 S HA 0.898 5.368 4.470 -0.000 0.000 0.292 279 S C -0.513 174.190 174.600 0.171 0.000 1.125 279 S CA -0.843 57.417 58.200 0.100 0.000 1.013 279 S CB 1.205 64.467 63.200 0.104 0.000 1.192 279 S HN 0.766 nan 8.310 nan 0.000 0.535 280 L N -0.306 121.013 121.223 0.159 0.000 2.327 280 L HA 0.516 4.856 4.340 -0.000 0.000 0.258 280 L C -0.974 176.025 176.870 0.216 0.000 1.024 280 L CA -1.086 53.894 54.840 0.234 0.000 0.825 280 L CB 1.654 43.861 42.059 0.248 0.000 1.386 280 L HN 0.573 nan 8.230 nan 0.000 0.417 281 L N 1.345 122.781 121.223 0.355 0.000 2.410 281 L HA 0.075 4.415 4.340 -0.000 0.000 0.273 281 L C 0.158 177.276 176.870 0.414 0.000 1.144 281 L CA 0.008 55.077 54.840 0.380 0.000 0.863 281 L CB 0.275 42.608 42.059 0.457 0.000 1.140 281 L HN 0.484 nan 8.230 nan 0.000 0.463 282 D N 3.282 123.834 120.400 0.253 0.000 2.597 282 D HA -0.016 4.624 4.640 -0.000 0.000 0.228 282 D C 0.963 177.305 176.300 0.071 0.000 1.120 282 D CA 0.243 54.308 54.000 0.108 0.000 1.083 282 D CB 0.107 40.846 40.800 -0.101 0.000 1.116 282 D HN 0.291 nan 8.370 nan 0.000 0.487 283 F N 0.850 120.913 119.950 0.189 0.000 2.216 283 F HA -0.071 4.456 4.527 -0.000 0.000 0.300 283 F C 2.535 178.334 175.800 -0.002 0.000 1.085 283 F CA 0.708 58.754 58.000 0.076 0.000 1.326 283 F CB -0.074 38.955 39.000 0.048 0.000 1.027 283 F HN 0.250 nan 8.300 nan 0.000 0.497 284 R N -0.357 120.292 120.500 0.249 0.000 2.081 284 R HA -0.223 4.117 4.340 -0.000 0.000 0.235 284 R C 2.289 178.681 176.300 0.154 0.000 1.131 284 R CA 1.674 57.892 56.100 0.196 0.000 0.960 284 R CB -0.654 29.806 30.300 0.267 0.000 0.856 284 R HN 0.304 nan 8.270 nan 0.000 0.436 285 F N 0.851 120.794 119.950 -0.011 0.000 2.084 285 F HA -0.083 4.444 4.527 -0.000 0.000 0.296 285 F C 2.193 177.928 175.800 -0.109 0.000 1.111 285 F CA 1.642 59.619 58.000 -0.038 0.000 1.224 285 F CB -0.550 38.400 39.000 -0.083 0.000 0.991 285 F HN 0.114 nan 8.300 nan 0.000 0.471 286 A N 0.205 122.999 122.820 -0.043 0.000 1.883 286 A HA -0.239 4.081 4.320 -0.000 0.000 0.217 286 A C 2.146 179.668 177.584 -0.103 0.000 1.186 286 A CA 1.859 53.732 52.037 -0.274 0.000 0.624 286 A CB -0.876 17.483 19.000 -1.068 0.000 0.822 286 A HN 0.554 nan 8.150 nan 0.000 0.444 287 Q N -0.561 119.210 119.800 -0.048 0.000 2.084 287 Q HA -0.203 4.137 4.340 -0.000 0.000 0.202 287 Q C 2.093 178.089 176.000 -0.006 0.000 0.978 287 Q CA 1.876 57.685 55.803 0.010 0.000 0.844 287 Q CB -0.384 28.373 28.738 0.033 0.000 0.898 287 Q HN 0.668 nan 8.270 nan 0.000 0.426 288 K N 0.823 121.200 120.400 -0.039 0.000 2.097 288 K HA -0.080 4.240 4.320 -0.000 0.000 0.206 288 K C 2.008 178.561 176.600 -0.078 0.000 1.049 288 K CA 0.792 57.038 56.287 -0.068 0.000 0.933 288 K CB -0.338 32.108 32.500 -0.089 0.000 0.717 288 K HN -0.026 nan 8.250 nan 0.000 0.442 289 V N 1.463 121.321 119.914 -0.092 0.000 2.287 289 V HA -0.286 3.834 4.120 -0.000 0.000 0.248 289 V C 2.296 178.539 176.094 0.249 0.000 1.053 289 V CA 2.252 64.583 62.300 0.053 0.000 1.027 289 V CB -0.460 31.356 31.823 -0.012 0.000 0.646 289 V HN 0.362 nan 8.190 nan 0.000 0.447 290 R N -0.429 120.178 120.500 0.179 0.000 2.081 290 R HA -0.186 4.154 4.340 -0.000 0.000 0.235 290 R C 2.351 178.670 176.300 0.032 0.000 1.131 290 R CA 1.546 57.722 56.100 0.127 0.000 0.960 290 R CB -0.429 29.892 30.300 0.035 0.000 0.856 290 R HN 0.592 nan 8.270 nan 0.000 0.436 291 Q N 0.359 120.161 119.800 0.004 0.000 2.061 291 Q HA -0.136 4.204 4.340 -0.000 0.000 0.204 291 Q C 2.259 178.217 176.000 -0.070 0.000 0.984 291 Q CA 1.714 57.496 55.803 -0.034 0.000 0.846 291 Q CB -0.030 28.685 28.738 -0.039 0.000 0.902 291 Q HN 0.192 nan 8.270 nan 0.000 0.421 292 V N -0.576 119.269 119.914 -0.115 0.000 2.407 292 V HA -0.159 3.961 4.120 -0.000 0.000 0.245 292 V C 1.496 177.371 176.094 -0.365 0.000 1.041 292 V CA 1.586 63.704 62.300 -0.304 0.000 1.040 292 V CB -0.304 31.207 31.823 -0.519 0.000 0.671 292 V HN 0.251 nan 8.190 nan 0.000 0.455 293 F N -0.886 119.063 119.950 -0.003 0.000 2.717 293 F HA 0.267 4.794 4.527 -0.000 0.000 0.295 293 F C 2.315 178.197 175.800 0.137 0.000 1.117 293 F CA 0.512 58.568 58.000 0.093 0.000 1.361 293 F CB 0.084 39.193 39.000 0.182 0.000 1.112 293 F HN -0.097 nan 8.300 nan 0.000 0.594 294 R N 0.086 120.681 120.500 0.159 0.000 2.144 294 R HA 0.049 4.389 4.340 -0.000 0.000 0.195 294 R C 0.782 177.018 176.300 -0.106 0.000 1.077 294 R CA 0.882 56.912 56.100 -0.117 0.000 1.120 294 R CB 0.132 30.039 30.300 -0.654 0.000 1.060 294 R HN 0.020 nan 8.270 nan 0.000 0.520 295 D N 0.318 120.663 120.400 -0.091 0.000 2.349 295 D HA -0.025 4.615 4.640 -0.000 0.000 0.214 295 D C -0.340 175.932 176.300 -0.047 0.000 1.063 295 D CA 0.118 54.076 54.000 -0.070 0.000 0.847 295 D CB -0.070 40.689 40.800 -0.068 0.000 0.933 295 D HN 0.362 nan 8.370 nan 0.000 0.513 296 N N 1.202 119.873 118.700 -0.048 0.000 2.714 296 N HA -0.193 4.547 4.740 -0.000 0.000 0.253 296 N C 0.052 175.535 175.510 -0.044 0.000 1.024 296 N CA 0.715 53.735 53.050 -0.050 0.000 0.726 296 N CB -0.612 37.854 38.487 -0.034 0.000 0.908 296 N HN 0.249 nan 8.380 nan 0.000 0.542 297 T N -3.649 110.877 114.554 -0.047 0.000 3.044 297 T HA 0.253 4.603 4.350 -0.000 0.000 0.260 297 T C 0.001 174.679 174.700 -0.036 0.000 1.019 297 T CA -0.169 61.910 62.100 -0.035 0.000 0.921 297 T CB 0.855 69.707 68.868 -0.026 0.000 1.053 297 T HN 0.290 nan 8.240 nan 0.000 0.533 298 D N 0.988 121.355 120.400 -0.056 0.000 2.639 298 D HA 0.414 5.054 4.640 -0.000 0.000 0.271 298 D C -1.459 174.786 176.300 -0.090 0.000 1.254 298 D CA -0.506 53.460 54.000 -0.056 0.000 0.810 298 D CB 1.944 42.713 40.800 -0.052 0.000 1.351 298 D HN 0.265 nan 8.370 nan 0.000 0.427 299 N N -0.236 118.424 118.700 -0.066 0.000 3.002 299 N HA 0.268 5.008 4.740 -0.000 0.000 0.331 299 N C 0.952 176.362 175.510 -0.166 0.000 1.384 299 N CA -0.501 52.486 53.050 -0.105 0.000 0.780 299 N CB 0.210 38.694 38.487 -0.005 0.000 1.492 299 N HN 0.178 nan 8.380 nan 0.000 0.608 300 M N -0.779 118.669 119.600 -0.254 0.000 2.195 300 M HA -0.105 4.375 4.480 -0.000 0.000 0.260 300 M C 1.254 177.376 176.300 -0.297 0.000 1.066 300 M CA 1.615 56.718 55.300 -0.329 0.000 1.089 300 M CB -1.473 30.913 32.600 -0.357 0.000 1.377 300 M HN 0.539 nan 8.290 nan 0.000 0.411 301 Y N -0.008 120.255 120.300 -0.063 0.000 2.224 301 Y HA -0.101 4.449 4.550 -0.000 0.000 0.289 301 Y C 2.657 178.530 175.900 -0.045 0.000 1.146 301 Y CA 1.500 59.575 58.100 -0.043 0.000 1.182 301 Y CB -1.363 37.074 38.460 -0.040 0.000 0.983 301 Y HN 0.320 nan 8.280 nan 0.000 0.524 302 G N -0.623 108.215 108.800 0.063 0.000 2.421 302 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.217 302 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.217 302 G C 1.609 176.489 174.900 -0.034 0.000 1.143 302 G CA 0.671 45.779 45.100 0.012 0.000 0.784 302 G HN 0.301 nan 8.290 nan 0.000 0.541 303 L N 0.963 122.127 121.223 -0.098 0.000 2.017 303 L HA 0.055 4.395 4.340 -0.000 0.000 0.208 303 L C 2.758 179.600 176.870 -0.046 0.000 1.073 303 L CA 2.443 57.203 54.840 -0.134 0.000 0.745 303 L CB -0.461 41.442 42.059 -0.260 0.000 0.894 303 L HN 0.296 nan 8.230 nan 0.000 0.432 304 K N -0.656 119.728 120.400 -0.026 0.000 2.057 304 K HA -0.177 4.143 4.320 -0.000 0.000 0.207 304 K C 1.934 178.562 176.600 0.047 0.000 1.049 304 K CA 1.447 57.749 56.287 0.025 0.000 0.931 304 K CB -0.276 32.243 32.500 0.031 0.000 0.714 304 K HN 0.367 nan 8.250 nan 0.000 0.440 305 A N 1.860 124.709 122.820 0.047 0.000 1.933 305 A HA -0.174 4.146 4.320 -0.000 0.000 0.218 305 A C 2.189 179.803 177.584 0.049 0.000 1.175 305 A CA 1.588 53.656 52.037 0.050 0.000 0.628 305 A CB -0.599 18.431 19.000 0.050 0.000 0.814 305 A HN 0.527 nan 8.150 nan 0.000 0.444 306 M N -0.184 119.443 119.600 0.044 0.000 2.117 306 M HA -0.089 4.391 4.480 -0.000 0.000 0.262 306 M C 1.979 178.339 176.300 0.101 0.000 1.065 306 M CA 1.722 57.062 55.300 0.065 0.000 1.114 306 M CB -0.833 31.788 32.600 0.035 0.000 1.361 306 M HN 0.423 nan 8.290 nan 0.000 0.408 307 L N 0.117 121.397 121.223 0.094 0.000 2.017 307 L HA -0.239 4.101 4.340 -0.000 0.000 0.208 307 L C 2.362 179.289 176.870 0.095 0.000 1.073 307 L CA 1.663 56.572 54.840 0.115 0.000 0.745 307 L CB -0.689 41.425 42.059 0.091 0.000 0.894 307 L HN 0.345 nan 8.230 nan 0.000 0.432 308 E N -0.258 119.986 120.200 0.074 0.000 2.047 308 E HA -0.155 4.195 4.350 -0.000 0.000 0.191 308 E C 2.194 178.821 176.600 0.044 0.000 0.987 308 E CA 1.020 57.456 56.400 0.059 0.000 0.799 308 E CB -0.325 29.407 29.700 0.053 0.000 0.752 308 E HN 0.537 nan 8.360 nan 0.000 0.449 309 G N 1.161 109.985 108.800 0.039 0.000 2.433 309 G HA2 -0.342 3.618 3.960 -0.000 0.000 0.216 309 G HA3 -0.342 3.618 3.960 -0.000 0.000 0.216 309 G C 1.743 176.636 174.900 -0.012 0.000 1.186 309 G CA 1.393 46.497 45.100 0.007 0.000 0.779 309 G HN 0.400 nan 8.290 nan 0.000 0.543 310 S N 1.565 117.303 115.700 0.064 0.000 2.374 310 S HA -0.037 4.433 4.470 -0.000 0.000 0.227 310 S C 2.602 177.291 174.600 0.147 0.000 1.037 310 S CA 1.824 60.114 58.200 0.151 0.000 1.024 310 S CB -0.722 62.663 63.200 0.308 0.000 0.861 310 S HN 0.738 nan 8.310 nan 0.000 0.456 311 A N 1.598 124.482 122.820 0.106 0.000 2.024 311 A HA 0.294 4.614 4.320 -0.000 0.000 0.220 311 A C 2.395 180.000 177.584 0.035 0.000 1.164 311 A CA 1.778 53.865 52.037 0.084 0.000 0.643 311 A CB -1.147 17.896 19.000 0.073 0.000 0.806 311 A HN 0.937 nan 8.150 nan 0.000 0.451 312 A N -0.677 122.135 122.820 -0.012 0.000 1.956 312 A HA 0.066 4.386 4.320 -0.000 0.000 0.212 312 A C 1.648 179.152 177.584 -0.134 0.000 1.188 312 A CA 1.181 53.186 52.037 -0.054 0.000 0.675 312 A CB -0.153 18.818 19.000 -0.048 0.000 0.845 312 A HN 0.370 nan 8.150 nan 0.000 0.455 313 D N -1.063 119.179 120.400 -0.263 0.000 2.183 313 D HA -0.015 4.625 4.640 -0.000 0.000 0.203 313 D C -0.389 175.568 176.300 -0.572 0.000 0.969 313 D CA 0.953 54.606 54.000 -0.579 0.000 0.842 313 D CB -0.168 39.934 40.800 -1.164 0.000 0.957 313 D HN 0.479 nan 8.370 nan 0.000 0.484 314 Y N 0.123 120.319 120.300 -0.173 0.000 2.367 314 Y HA 0.440 4.990 4.550 -0.000 0.000 0.342 314 Y C 1.227 177.094 175.900 -0.055 0.000 0.979 314 Y CA -0.820 57.233 58.100 -0.078 0.000 1.161 314 Y CB 1.536 39.980 38.460 -0.025 0.000 1.155 314 Y HN -0.176 nan 8.280 nan 0.000 0.503 315 A N 2.857 125.731 122.820 0.089 0.000 1.940 315 A HA -0.184 4.136 4.320 -0.000 0.000 0.219 315 A C 0.847 178.431 177.584 -0.001 0.000 1.176 315 A CA 1.390 53.436 52.037 0.015 0.000 0.631 315 A CB -0.235 18.764 19.000 -0.001 0.000 0.814 315 A HN 0.789 nan 8.150 nan 0.000 0.446 316 Q N -1.086 118.759 119.800 0.074 0.000 2.849 316 Q HA 0.414 4.754 4.340 -0.000 0.000 0.289 316 Q C 0.477 176.544 176.000 0.112 0.000 1.012 316 Q CA -0.138 55.710 55.803 0.074 0.000 0.899 316 Q CB 1.117 29.927 28.738 0.120 0.000 1.235 316 Q HN 0.150 nan 8.270 nan 0.000 0.457 317 V N 1.189 121.165 119.914 0.103 0.000 2.453 317 V HA -0.285 3.835 4.120 -0.000 0.000 0.252 317 V C 0.988 177.100 176.094 0.030 0.000 1.068 317 V CA 2.263 64.602 62.300 0.065 0.000 1.070 317 V CB 0.101 31.984 31.823 0.099 0.000 0.664 317 V HN 0.724 nan 8.190 nan 0.000 0.461 318 D N -0.527 119.934 120.400 0.103 0.000 2.378 318 D HA -0.109 4.531 4.640 -0.000 0.000 0.222 318 D C 1.085 177.469 176.300 0.140 0.000 0.980 318 D CA 0.889 54.961 54.000 0.120 0.000 0.907 318 D CB -0.031 40.902 40.800 0.221 0.000 0.899 318 D HN 0.515 nan 8.370 nan 0.000 0.527 319 D N 0.407 120.916 120.400 0.182 0.000 2.360 319 D HA -0.005 4.635 4.640 -0.000 0.000 0.210 319 D C 0.526 176.936 176.300 0.184 0.000 1.047 319 D CA 0.245 54.421 54.000 0.293 0.000 0.854 319 D CB 0.405 41.450 40.800 0.407 0.000 0.936 319 D HN 0.090 nan 8.370 nan 0.000 0.514 320 Q N 0.708 120.500 119.800 -0.012 0.000 2.304 320 Q HA 0.205 4.545 4.340 -0.000 0.000 0.260 320 Q C -0.013 175.911 176.000 -0.127 0.000 0.965 320 Q CA -0.260 55.471 55.803 -0.120 0.000 0.898 320 Q CB 1.739 30.281 28.738 -0.327 0.000 1.196 320 Q HN -0.109 nan 8.270 nan 0.000 0.402 321 V N 3.483 123.329 119.914 -0.113 0.000 2.353 321 V HA 0.169 4.289 4.120 -0.000 0.000 0.264 321 V C 0.746 176.827 176.094 -0.021 0.000 1.049 321 V CA -0.473 61.732 62.300 -0.158 0.000 0.896 321 V CB 0.280 31.851 31.823 -0.420 0.000 1.025 321 V HN 0.864 nan 8.190 nan 0.000 0.475 322 T N 2.863 117.321 114.554 -0.159 0.000 2.874 322 T HA 0.817 5.167 4.350 -0.000 0.000 0.281 322 T C -0.574 174.202 174.700 0.127 0.000 0.994 322 T CA -0.401 61.542 62.100 -0.261 0.000 1.015 322 T CB 1.451 69.798 68.868 -0.869 0.000 1.028 322 T HN 0.761 nan 8.240 nan 0.000 0.523 323 F N -0.966 118.965 119.950 -0.031 0.000 2.842 323 F HA 0.500 5.027 4.527 -0.000 0.000 0.319 323 F C -0.070 175.816 175.800 0.144 0.000 1.159 323 F CA -1.286 56.743 58.000 0.048 0.000 0.902 323 F CB 0.643 39.658 39.000 0.025 0.000 1.311 323 F HN 0.602 nan 8.300 nan 0.000 0.453 324 I N -1.295 119.428 120.570 0.254 0.000 4.181 324 I HA 0.471 4.641 4.170 -0.000 0.000 0.331 324 I C -0.826 175.516 176.117 0.375 0.000 1.312 324 I CA 0.214 61.642 61.300 0.214 0.000 1.146 324 I CB 0.597 38.633 38.000 0.061 0.000 1.074 324 I HN 0.706 nan 8.210 nan 0.000 0.402 325 D N 0.712 121.391 120.400 0.464 0.000 2.769 325 D HA 0.360 5.000 4.640 -0.000 0.000 0.309 325 D C -1.228 175.151 176.300 0.131 0.000 1.315 325 D CA -0.573 53.637 54.000 0.349 0.000 0.780 325 D CB 0.580 41.558 40.800 0.296 0.000 1.312 325 D HN 0.339 nan 8.370 nan 0.000 0.437 326 N N -2.939 115.630 118.700 -0.217 0.000 3.339 326 N HA 0.150 4.890 4.740 -0.000 0.000 0.275 326 N C 0.506 175.463 175.510 -0.922 0.000 1.514 326 N CA -0.442 52.171 53.050 -0.728 0.000 0.879 326 N CB -0.141 38.096 38.487 -0.417 0.000 1.557 326 N HN 0.575 nan 8.380 nan 0.000 0.524 327 H N -1.747 116.793 119.070 -0.884 0.000 2.560 327 H HA 0.118 4.674 4.556 -0.000 0.000 0.283 327 H C -0.760 174.501 175.328 -0.112 0.000 1.028 327 H CA 0.997 56.813 56.048 -0.387 0.000 1.221 327 H CB -0.253 29.512 29.762 0.004 0.000 1.363 327 H HN 0.549 nan 8.280 nan 0.000 0.594 328 D N 0.044 120.176 120.400 -0.447 0.000 2.469 328 D HA 0.241 4.881 4.640 -0.000 0.000 0.215 328 D C 0.352 176.626 176.300 -0.044 0.000 1.154 328 D CA 0.012 53.877 54.000 -0.224 0.000 0.832 328 D CB 0.879 41.538 40.800 -0.235 0.000 1.008 328 D HN 0.335 nan 8.370 nan 0.000 0.506 329 M N 0.251 119.836 119.600 -0.025 0.000 2.727 329 M HA 0.272 4.752 4.480 -0.000 0.000 0.300 329 M C -0.175 176.154 176.300 0.049 0.000 1.246 329 M CA -0.755 54.587 55.300 0.070 0.000 0.835 329 M CB 2.788 35.480 32.600 0.152 0.000 1.755 329 M HN -0.322 nan 8.290 nan 0.000 0.473 330 E N 1.610 121.848 120.200 0.064 0.000 2.392 330 E HA 0.125 4.474 4.350 -0.000 0.000 0.264 330 E C -0.559 176.094 176.600 0.088 0.000 1.024 330 E CA -0.217 56.217 56.400 0.055 0.000 0.903 330 E CB 0.629 30.347 29.700 0.030 0.000 0.963 330 E HN 0.315 nan 8.360 nan 0.000 0.432 331 R N 1.945 122.510 120.500 0.108 0.000 2.640 331 R HA -0.083 4.257 4.340 -0.000 0.000 0.270 331 R C 0.991 177.410 176.300 0.199 0.000 1.024 331 R CA 0.183 56.389 56.100 0.177 0.000 1.085 331 R CB 0.083 30.480 30.300 0.162 0.000 0.963 331 R HN 0.616 nan 8.270 nan 0.000 0.426 332 F N 2.255 122.289 119.950 0.139 0.000 2.065 332 F HA -0.231 4.296 4.527 -0.000 0.000 0.298 332 F C 1.336 177.239 175.800 0.171 0.000 1.112 332 F CA 1.720 59.807 58.000 0.144 0.000 1.212 332 F CB -0.401 38.687 39.000 0.146 0.000 0.975 332 F HN 0.561 nan 8.300 nan 0.000 0.476 333 H N 0.718 120.040 119.070 0.421 0.000 2.955 333 H HA 0.452 5.008 4.556 -0.000 0.000 0.290 333 H C -0.375 175.043 175.328 0.150 0.000 1.047 333 H CA -0.495 55.742 56.048 0.314 0.000 1.484 333 H CB 0.220 30.179 29.762 0.328 0.000 1.501 333 H HN 0.278 nan 8.280 nan 0.000 0.521 334 A N 4.172 126.793 122.820 -0.331 0.000 2.331 334 A HA 0.255 4.575 4.320 -0.000 0.000 0.283 334 A C 1.608 178.873 177.584 -0.531 0.000 1.142 334 A CA 0.103 51.952 52.037 -0.314 0.000 0.812 334 A CB 0.614 19.506 19.000 -0.181 0.000 1.074 334 A HN 0.904 nan 8.150 nan 0.000 0.497 335 S N 1.309 116.839 115.700 -0.284 0.000 2.390 335 S HA -0.215 4.255 4.470 -0.000 0.000 0.234 335 S C 1.654 176.165 174.600 -0.147 0.000 1.063 335 S CA 2.150 60.239 58.200 -0.184 0.000 1.108 335 S CB -0.424 62.732 63.200 -0.073 0.000 0.975 335 S HN 0.934 nan 8.310 nan 0.000 0.442 336 N N 0.470 119.101 118.700 -0.116 0.000 2.313 336 N HA 0.270 5.010 4.740 -0.000 0.000 0.207 336 N C -0.066 175.419 175.510 -0.041 0.000 1.141 336 N CA 0.154 53.171 53.050 -0.056 0.000 0.830 336 N CB 0.202 38.665 38.487 -0.040 0.000 1.008 336 N HN 0.312 nan 8.380 nan 0.000 0.481 337 A N 0.895 123.667 122.820 -0.080 0.000 2.269 337 A HA 0.291 4.611 4.320 -0.000 0.000 0.319 337 A C 0.090 177.772 177.584 0.162 0.000 1.110 337 A CA -0.714 51.336 52.037 0.022 0.000 0.847 337 A CB 0.615 19.616 19.000 0.003 0.000 1.161 337 A HN 0.263 nan 8.150 nan 0.000 0.497 338 N N 0.302 119.091 118.700 0.148 0.000 2.452 338 N HA 0.027 4.767 4.740 -0.000 0.000 0.266 338 N C 1.016 176.651 175.510 0.208 0.000 1.175 338 N CA 0.082 53.218 53.050 0.144 0.000 0.945 338 N CB 0.477 39.026 38.487 0.104 0.000 1.063 338 N HN 0.616 nan 8.380 nan 0.000 0.472 339 R N 2.320 122.896 120.500 0.127 0.000 2.159 339 R HA -0.167 4.173 4.340 -0.000 0.000 0.237 339 R C 1.474 177.850 176.300 0.127 0.000 1.131 339 R CA 0.960 57.081 56.100 0.034 0.000 0.982 339 R CB -0.011 30.115 30.300 -0.290 0.000 0.868 339 R HN 0.459 nan 8.270 nan 0.000 0.453 340 R N 1.851 122.418 120.500 0.112 0.000 2.159 340 R HA -0.105 4.234 4.340 -0.000 0.000 0.237 340 R C 1.469 177.861 176.300 0.153 0.000 1.131 340 R CA 1.563 57.731 56.100 0.114 0.000 0.982 340 R CB -0.096 30.261 30.300 0.094 0.000 0.868 340 R HN 0.138 nan 8.270 nan 0.000 0.453 341 K N -0.081 120.455 120.400 0.227 0.000 2.026 341 K HA -0.153 4.167 4.320 -0.000 0.000 0.208 341 K C 2.052 178.810 176.600 0.265 0.000 1.048 341 K CA 1.755 58.240 56.287 0.330 0.000 0.929 341 K CB -0.377 32.380 32.500 0.429 0.000 0.713 341 K HN 0.243 nan 8.250 nan 0.000 0.439 342 L N 1.501 122.872 121.223 0.246 0.000 2.056 342 L HA -0.199 4.141 4.340 -0.000 0.000 0.207 342 L C 1.963 178.724 176.870 -0.182 0.000 1.078 342 L CA 1.573 56.350 54.840 -0.106 0.000 0.749 342 L CB -0.108 42.015 42.059 0.106 0.000 0.901 342 L HN 0.153 nan 8.230 nan 0.000 0.433 343 E N -0.361 119.828 120.200 -0.019 0.000 2.058 343 E HA -0.293 4.057 4.350 -0.000 0.000 0.194 343 E C 2.235 178.777 176.600 -0.096 0.000 0.997 343 E CA 1.859 58.239 56.400 -0.033 0.000 0.801 343 E CB -0.149 29.578 29.700 0.046 0.000 0.746 343 E HN 0.624 nan 8.360 nan 0.000 0.450 344 Q N 0.024 119.768 119.800 -0.093 0.000 2.050 344 Q HA -0.163 4.177 4.340 -0.000 0.000 0.202 344 Q C 2.364 178.110 176.000 -0.423 0.000 0.980 344 Q CA 1.307 57.012 55.803 -0.164 0.000 0.840 344 Q CB -0.236 28.481 28.738 -0.034 0.000 0.898 344 Q HN 0.277 nan 8.270 nan 0.000 0.424 345 A N 0.994 123.458 122.820 -0.594 0.000 1.940 345 A HA -0.176 4.144 4.320 -0.000 0.000 0.219 345 A C 2.100 179.488 177.584 -0.327 0.000 1.176 345 A CA 1.126 52.749 52.037 -0.690 0.000 0.631 345 A CB -0.696 17.840 19.000 -0.774 0.000 0.814 345 A HN 0.276 nan 8.150 nan 0.000 0.446 346 L N -0.942 120.111 121.223 -0.282 0.000 1.994 346 L HA -0.205 4.135 4.340 -0.000 0.000 0.208 346 L C 3.154 179.969 176.870 -0.091 0.000 1.071 346 L CA 1.175 55.917 54.840 -0.162 0.000 0.745 346 L CB -0.551 41.416 42.059 -0.154 0.000 0.892 346 L HN 0.443 nan 8.230 nan 0.000 0.431 347 A N -0.386 122.383 122.820 -0.086 0.000 1.940 347 A HA -0.293 4.027 4.320 -0.000 0.000 0.219 347 A C 2.153 179.755 177.584 0.030 0.000 1.176 347 A CA 1.740 53.752 52.037 -0.042 0.000 0.631 347 A CB -0.882 18.091 19.000 -0.043 0.000 0.814 347 A HN 0.426 nan 8.150 nan 0.000 0.446 348 F N 1.441 121.328 119.950 -0.105 0.000 2.075 348 F HA -0.170 4.357 4.527 -0.000 0.000 0.297 348 F C 2.513 178.363 175.800 0.084 0.000 1.113 348 F CA 2.420 60.422 58.000 0.003 0.000 1.218 348 F CB -0.834 38.062 39.000 -0.174 0.000 0.984 348 F HN 0.217 nan 8.300 nan 0.000 0.472 349 T N 1.715 116.300 114.554 0.052 0.000 2.684 349 T HA -0.219 4.131 4.350 -0.000 0.000 0.267 349 T C 2.150 176.781 174.700 -0.115 0.000 1.036 349 T CA 1.947 64.061 62.100 0.022 0.000 1.148 349 T CB -0.702 68.231 68.868 0.109 0.000 0.863 349 T HN 0.263 nan 8.240 nan 0.000 0.436 350 L N 1.235 122.406 121.223 -0.086 0.000 2.131 350 L HA -0.082 4.258 4.340 -0.000 0.000 0.210 350 L C 2.730 179.533 176.870 -0.111 0.000 1.092 350 L CA 1.464 56.244 54.840 -0.099 0.000 0.759 350 L CB -0.830 41.177 42.059 -0.086 0.000 0.903 350 L HN 0.461 nan 8.230 nan 0.000 0.435 351 T N -5.574 108.924 114.554 -0.093 0.000 3.086 351 T HA 0.169 4.519 4.350 -0.000 0.000 0.250 351 T C 0.817 175.494 174.700 -0.038 0.000 1.074 351 T CA -0.263 61.807 62.100 -0.050 0.000 0.988 351 T CB 0.217 69.088 68.868 0.004 0.000 0.988 351 T HN 0.018 nan 8.240 nan 0.000 0.530 352 S N 2.299 117.890 115.700 -0.183 0.000 2.693 352 S HA 0.589 5.059 4.470 -0.000 0.000 0.276 352 S C 0.382 174.861 174.600 -0.202 0.000 1.192 352 S CA -1.068 56.983 58.200 -0.249 0.000 0.994 352 S CB 0.880 63.805 63.200 -0.458 0.000 1.012 352 S HN 0.604 nan 8.310 nan 0.000 0.550 353 R N 0.686 121.090 120.500 -0.159 0.000 2.694 353 R HA 0.568 4.908 4.340 -0.000 0.000 0.268 353 R C 0.636 176.807 176.300 -0.215 0.000 1.061 353 R CA 0.550 56.572 56.100 -0.130 0.000 1.133 353 R CB -1.352 28.922 30.300 -0.043 0.000 1.020 353 R HN 0.958 nan 8.270 nan 0.000 0.475 354 G N 0.001 108.706 108.800 -0.159 0.000 2.418 354 G HA2 -0.134 3.826 3.960 -0.000 0.000 0.206 354 G HA3 -0.134 3.826 3.960 -0.000 0.000 0.206 354 G C -1.502 173.292 174.900 -0.177 0.000 1.202 354 G CA -0.327 44.669 45.100 -0.173 0.000 1.061 354 G HN 0.773 nan 8.290 nan 0.000 0.563 355 V N 2.358 122.160 119.914 -0.188 0.000 2.398 355 V HA 0.533 4.653 4.120 -0.000 0.000 0.282 355 V C -2.241 173.759 176.094 -0.157 0.000 1.014 355 V CA -1.015 61.185 62.300 -0.168 0.000 0.838 355 V CB 1.862 33.589 31.823 -0.161 0.000 1.018 355 V HN 0.660 nan 8.190 nan 0.000 0.432 356 P HA 0.429 nan 4.420 nan 0.000 0.276 356 P C -0.642 176.666 177.300 0.013 0.000 1.230 356 P CA 0.076 63.126 63.100 -0.084 0.000 0.776 356 P CB 1.277 32.923 31.700 -0.090 0.000 0.888 357 A N 4.320 127.193 122.820 0.088 0.000 2.356 357 A HA 0.698 5.018 4.320 -0.000 0.000 0.310 357 A C -0.603 177.085 177.584 0.173 0.000 1.075 357 A CA -0.769 51.372 52.037 0.173 0.000 0.746 357 A CB 0.662 19.827 19.000 0.276 0.000 1.221 357 A HN 0.452 nan 8.150 nan 0.000 0.443 358 I N 2.481 123.132 120.570 0.135 0.000 2.362 358 I HA 0.200 4.370 4.170 -0.000 0.000 0.289 358 I C -0.787 175.318 176.117 -0.020 0.000 0.994 358 I CA -0.727 60.629 61.300 0.093 0.000 1.158 358 I CB 1.383 39.452 38.000 0.114 0.000 1.315 358 I HN 0.718 nan 8.210 nan 0.000 0.451 359 Y N 8.477 128.698 120.300 -0.132 0.000 2.544 359 Y HA 0.041 4.591 4.550 -0.000 0.000 0.330 359 Y C 0.091 175.794 175.900 -0.330 0.000 1.136 359 Y CA -0.945 57.027 58.100 -0.214 0.000 1.417 359 Y CB 0.044 38.435 38.460 -0.115 0.000 1.229 359 Y HN 0.455 nan 8.280 nan 0.000 0.532 360 Y N 4.239 124.055 120.300 -0.807 0.000 2.895 360 Y HA 0.287 4.837 4.550 -0.000 0.000 0.334 360 Y C 1.095 176.782 175.900 -0.354 0.000 1.261 360 Y CA -0.161 57.532 58.100 -0.679 0.000 1.560 360 Y CB -0.040 38.132 38.460 -0.480 0.000 1.253 360 Y HN 0.931 nan 8.280 nan 0.000 0.582 361 G N 2.243 110.983 108.800 -0.100 0.000 2.217 361 G HA2 -0.368 3.592 3.960 -0.000 0.000 0.246 361 G HA3 -0.368 3.592 3.960 -0.000 0.000 0.246 361 G C 0.869 175.681 174.900 -0.147 0.000 0.990 361 G CA 0.430 45.435 45.100 -0.159 0.000 0.627 361 G HN 0.847 nan 8.290 nan 0.000 0.522 362 T N 1.739 116.204 114.554 -0.149 0.000 2.720 362 T HA -0.122 4.228 4.350 -0.000 0.000 0.268 362 T C 2.143 176.732 174.700 -0.185 0.000 1.037 362 T CA 1.942 63.981 62.100 -0.102 0.000 1.144 362 T CB -0.262 68.579 68.868 -0.046 0.000 0.864 362 T HN 0.790 nan 8.240 nan 0.000 0.444 363 E N 1.071 121.209 120.200 -0.104 0.000 2.472 363 E HA -0.140 4.210 4.350 -0.000 0.000 0.200 363 E C 1.232 177.698 176.600 -0.225 0.000 1.046 363 E CA 0.829 57.134 56.400 -0.159 0.000 0.871 363 E CB -0.142 29.581 29.700 0.038 0.000 0.806 363 E HN 0.401 nan 8.360 nan 0.000 0.533 364 Q N -0.224 119.493 119.800 -0.138 0.000 2.198 364 Q HA 0.078 4.418 4.340 -0.000 0.000 0.209 364 Q C -0.519 175.500 176.000 0.031 0.000 0.848 364 Q CA -0.424 55.362 55.803 -0.029 0.000 0.974 364 Q CB -0.210 28.556 28.738 0.048 0.000 1.115 364 Q HN 0.335 nan 8.270 nan 0.000 0.494 365 Y N -1.359 118.945 120.300 0.006 0.000 3.825 365 Y HA -0.282 4.268 4.550 -0.000 0.000 0.221 365 Y C 0.351 176.324 175.900 0.122 0.000 1.195 365 Y CA 0.207 58.294 58.100 -0.021 0.000 1.699 365 Y CB -2.600 35.768 38.460 -0.154 0.000 1.531 365 Y HN 0.208 nan 8.280 nan 0.000 0.640 366 M N 0.298 119.982 119.600 0.139 0.000 2.248 366 M HA 0.195 4.675 4.480 -0.000 0.000 0.345 366 M C 0.585 176.985 176.300 0.166 0.000 1.243 366 M CA 0.997 56.357 55.300 0.101 0.000 1.090 366 M CB 0.511 33.083 32.600 -0.047 0.000 1.683 366 M HN 0.250 nan 8.290 nan 0.000 0.450 367 S N 0.959 116.738 115.700 0.133 0.000 2.566 367 S HA 0.950 5.420 4.470 -0.000 0.000 0.298 367 S C -0.192 174.441 174.600 0.055 0.000 1.083 367 S CA -0.751 57.511 58.200 0.102 0.000 0.978 367 S CB 2.213 65.448 63.200 0.059 0.000 1.073 367 S HN 0.952 nan 8.310 nan 0.000 0.491 368 G N -0.090 108.737 108.800 0.045 0.000 2.384 368 G HA2 0.505 4.465 3.960 -0.000 0.000 0.300 368 G HA3 0.505 4.465 3.960 -0.000 0.000 0.300 368 G C -0.406 174.514 174.900 0.034 0.000 1.582 368 G CA -0.249 44.871 45.100 0.033 0.000 0.875 368 G HN 0.893 nan 8.290 nan 0.000 0.628 369 G N -0.775 108.039 108.800 0.023 0.000 2.509 369 G HA2 0.726 4.686 3.960 -0.000 0.000 0.269 369 G HA3 0.726 4.686 3.960 -0.000 0.000 0.269 369 G C 0.897 175.813 174.900 0.027 0.000 1.416 369 G CA 0.639 45.751 45.100 0.021 0.000 1.052 369 G HN 1.615 nan 8.290 nan 0.000 0.542 370 T N -1.592 112.974 114.554 0.021 0.000 2.748 370 T HA 0.184 4.534 4.350 -0.000 0.000 0.304 370 T C 0.322 175.037 174.700 0.025 0.000 1.041 370 T CA 0.002 62.113 62.100 0.019 0.000 1.033 370 T CB 0.692 69.566 68.868 0.010 0.000 0.995 370 T HN 0.494 nan 8.240 nan 0.000 0.536 371 D N 2.147 122.562 120.400 0.026 0.000 2.923 371 D HA -0.031 4.609 4.640 -0.000 0.000 0.220 371 D C -1.296 175.037 176.300 0.056 0.000 1.099 371 D CA -1.098 52.931 54.000 0.048 0.000 0.807 371 D CB 0.552 41.376 40.800 0.041 0.000 1.155 371 D HN 0.438 nan 8.370 nan 0.000 0.524 372 P HA 0.180 nan 4.420 nan 0.000 0.272 372 P C 0.051 177.374 177.300 0.038 0.000 1.408 372 P CA -0.238 62.910 63.100 0.079 0.000 0.996 372 P CB 0.550 32.306 31.700 0.094 0.000 1.481 373 D N 1.294 121.712 120.400 0.030 0.000 2.309 373 D HA -0.119 4.521 4.640 -0.000 0.000 0.212 373 D C 1.147 177.464 176.300 0.029 0.000 0.968 373 D CA 1.000 55.013 54.000 0.021 0.000 0.882 373 D CB -0.445 40.366 40.800 0.019 0.000 0.918 373 D HN 0.361 nan 8.370 nan 0.000 0.503 374 N N -0.180 118.546 118.700 0.043 0.000 2.322 374 N HA -0.010 4.730 4.740 -0.000 0.000 0.194 374 N C 0.365 175.930 175.510 0.092 0.000 1.126 374 N CA -0.009 53.088 53.050 0.078 0.000 0.845 374 N CB 0.048 38.591 38.487 0.092 0.000 0.976 374 N HN 0.017 nan 8.380 nan 0.000 0.475 375 R N 0.015 120.536 120.500 0.033 0.000 2.748 375 R HA 0.460 4.799 4.340 -0.000 0.000 0.395 375 R C -0.146 176.192 176.300 0.064 0.000 1.128 375 R CA -0.331 55.778 56.100 0.016 0.000 1.042 375 R CB 0.796 31.007 30.300 -0.150 0.000 1.392 375 R HN 0.150 nan 8.270 nan 0.000 0.582 376 A N 1.399 124.248 122.820 0.049 0.000 2.327 376 A HA 0.201 4.521 4.320 -0.000 0.000 0.255 376 A C 0.135 177.788 177.584 0.115 0.000 1.099 376 A CA -0.374 51.685 52.037 0.037 0.000 0.801 376 A CB 0.276 19.279 19.000 0.006 0.000 1.062 376 A HN 0.451 nan 8.150 nan 0.000 0.496 377 R N 0.943 121.478 120.500 0.058 0.000 2.537 377 R HA 0.219 4.559 4.340 -0.000 0.000 0.280 377 R C -0.090 176.248 176.300 0.064 0.000 1.058 377 R CA -0.267 55.876 56.100 0.072 0.000 1.057 377 R CB 0.122 30.420 30.300 -0.004 0.000 0.973 377 R HN 0.691 nan 8.270 nan 0.000 0.438 378 I N 7.506 128.148 120.570 0.120 0.000 2.828 378 I HA -0.018 4.152 4.170 -0.000 0.000 0.292 378 I C -1.403 174.583 176.117 -0.218 0.000 1.206 378 I CA -1.352 59.943 61.300 -0.008 0.000 1.420 378 I CB 1.099 39.121 38.000 0.037 0.000 1.368 378 I HN 0.727 nan 8.210 nan 0.000 0.556 379 P HA 0.023 nan 4.420 nan 0.000 0.236 379 P C -0.153 177.009 177.300 -0.231 0.000 1.177 379 P CA 0.412 63.415 63.100 -0.162 0.000 0.773 379 P CB 0.217 31.873 31.700 -0.073 0.000 0.878 380 S N -1.256 114.234 115.700 -0.351 0.000 2.567 380 S HA 0.529 4.999 4.470 -0.000 0.000 0.270 380 S C -1.569 172.725 174.600 -0.509 0.000 1.152 380 S CA -0.642 57.354 58.200 -0.340 0.000 0.835 380 S CB 0.061 63.197 63.200 -0.108 0.000 1.115 380 S HN -0.211 nan 8.310 nan 0.000 0.459 381 F N 2.017 121.880 119.950 -0.144 0.000 2.881 381 F HA 0.460 4.987 4.527 0.000 0.000 0.343 381 F C 0.929 176.759 175.800 0.049 0.000 1.233 381 F CA -0.492 57.337 58.000 -0.284 0.000 1.262 381 F CB 0.837 39.525 39.000 -0.520 0.000 0.980 381 F HN 0.528 nan 8.300 nan 0.000 0.506 382 S N 0.337 116.152 115.700 0.191 0.000 2.523 382 S HA 0.216 4.686 4.470 -0.000 0.000 0.275 382 S C 1.311 175.848 174.600 -0.104 0.000 1.281 382 S CA 0.126 58.368 58.200 0.070 0.000 1.050 382 S CB 0.637 63.858 63.200 0.035 0.000 0.937 382 S HN 0.478 nan 8.310 nan 0.000 0.492 383 T N 1.499 115.824 114.554 -0.382 0.000 3.086 383 T HA 0.160 4.510 4.350 -0.000 0.000 0.250 383 T C 1.096 175.470 174.700 -0.545 0.000 1.074 383 T CA 0.121 61.545 62.100 -1.127 0.000 0.988 383 T CB -0.075 68.249 68.868 -0.907 0.000 0.988 383 T HN 0.421 nan 8.240 nan 0.000 0.530 384 S N 1.951 117.524 115.700 -0.212 0.000 2.548 384 S HA 0.113 4.583 4.470 -0.000 0.000 0.215 384 S C 1.195 175.812 174.600 0.028 0.000 0.976 384 S CA 0.156 58.317 58.200 -0.064 0.000 0.908 384 S CB -0.170 63.012 63.200 -0.030 0.000 0.781 384 S HN 0.890 nan 8.310 nan 0.000 0.519 385 T N 0.114 114.714 114.554 0.077 0.000 2.898 385 T HA 0.142 4.492 4.350 -0.000 0.000 0.301 385 T C 1.303 176.120 174.700 0.194 0.000 1.049 385 T CA -0.110 62.106 62.100 0.193 0.000 1.095 385 T CB 0.732 69.758 68.868 0.264 0.000 0.976 385 T HN 0.004 nan 8.240 nan 0.000 0.539 386 T N 1.962 116.655 114.554 0.232 0.000 2.788 386 T HA -0.027 4.323 4.350 -0.000 0.000 0.268 386 T C 2.392 177.177 174.700 0.141 0.000 1.044 386 T CA 1.328 63.531 62.100 0.173 0.000 1.139 386 T CB -0.775 68.190 68.868 0.161 0.000 0.867 386 T HN 0.821 nan 8.240 nan 0.000 0.454 387 A N 0.618 123.514 122.820 0.128 0.000 1.883 387 A HA -0.130 4.190 4.320 -0.000 0.000 0.217 387 A C 2.069 179.642 177.584 -0.017 0.000 1.186 387 A CA 1.652 53.657 52.037 -0.053 0.000 0.624 387 A CB -1.124 17.639 19.000 -0.395 0.000 0.822 387 A HN 0.571 nan 8.150 nan 0.000 0.444 388 Y N 0.827 121.079 120.300 -0.081 0.000 2.114 388 Y HA -0.309 4.241 4.550 -0.000 0.000 0.282 388 Y C 2.568 178.429 175.900 -0.064 0.000 1.165 388 Y CA 2.491 60.550 58.100 -0.069 0.000 1.148 388 Y CB -0.460 37.978 38.460 -0.036 0.000 0.972 388 Y HN 0.484 nan 8.280 nan 0.000 0.504 389 Q N -1.054 118.881 119.800 0.226 0.000 2.124 389 Q HA -0.158 4.182 4.340 -0.000 0.000 0.202 389 Q C 2.316 178.322 176.000 0.011 0.000 0.977 389 Q CA 1.761 57.641 55.803 0.129 0.000 0.850 389 Q CB -0.345 28.460 28.738 0.112 0.000 0.901 389 Q HN 0.375 nan 8.270 nan 0.000 0.429 390 V N 1.046 120.954 119.914 -0.010 0.000 2.287 390 V HA -0.272 3.848 4.120 -0.000 0.000 0.248 390 V C 2.090 178.130 176.094 -0.089 0.000 1.053 390 V CA 1.713 63.985 62.300 -0.047 0.000 1.027 390 V CB -0.413 31.381 31.823 -0.047 0.000 0.646 390 V HN 0.352 nan 8.190 nan 0.000 0.447 391 I N -0.314 120.177 120.570 -0.132 0.000 2.252 391 I HA -0.283 3.887 4.170 -0.000 0.000 0.245 391 I C 2.643 178.646 176.117 -0.190 0.000 1.102 391 I CA 1.764 62.959 61.300 -0.174 0.000 1.385 391 I CB -0.417 37.440 38.000 -0.239 0.000 1.064 391 I HN 0.386 nan 8.210 nan 0.000 0.414 392 Q N 1.624 121.296 119.800 -0.214 0.000 2.135 392 Q HA -0.242 4.098 4.340 -0.000 0.000 0.204 392 Q C 1.986 177.926 176.000 -0.099 0.000 0.981 392 Q CA 1.705 57.407 55.803 -0.167 0.000 0.856 392 Q CB 0.093 28.778 28.738 -0.088 0.000 0.902 392 Q HN 0.474 nan 8.270 nan 0.000 0.425 393 K N -0.333 120.021 120.400 -0.077 0.000 2.243 393 K HA 0.035 4.355 4.320 -0.000 0.000 0.201 393 K C 1.974 178.526 176.600 -0.079 0.000 1.051 393 K CA 0.642 56.890 56.287 -0.065 0.000 0.970 393 K CB 0.282 32.752 32.500 -0.051 0.000 0.755 393 K HN 0.255 nan 8.250 nan 0.000 0.465 394 L N 0.008 121.175 121.223 -0.092 0.000 2.357 394 L HA 0.132 4.472 4.340 -0.000 0.000 0.211 394 L C 2.481 179.289 176.870 -0.104 0.000 1.075 394 L CA 0.265 55.048 54.840 -0.096 0.000 0.830 394 L CB -0.369 41.633 42.059 -0.095 0.000 0.996 394 L HN 0.073 nan 8.230 nan 0.000 0.467 395 A N 1.411 124.163 122.820 -0.114 0.000 1.883 395 A HA -0.123 4.197 4.320 -0.000 0.000 0.217 395 A C -0.188 177.325 177.584 -0.118 0.000 1.186 395 A CA 1.721 53.687 52.037 -0.118 0.000 0.624 395 A CB -1.816 17.108 19.000 -0.127 0.000 0.822 395 A HN 0.264 nan 8.150 nan 0.000 0.444 396 P HA -0.096 nan 4.420 nan 0.000 0.222 396 P C 1.407 178.643 177.300 -0.107 0.000 1.147 396 P CA 0.603 63.640 63.100 -0.105 0.000 0.790 396 P CB -0.163 31.483 31.700 -0.089 0.000 0.780 397 L N -0.816 120.345 121.223 -0.104 0.000 2.191 397 L HA -0.127 4.213 4.340 -0.000 0.000 0.212 397 L C 2.545 179.336 176.870 -0.131 0.000 1.103 397 L CA 1.341 56.120 54.840 -0.102 0.000 0.769 397 L CB -0.363 41.640 42.059 -0.092 0.000 0.908 397 L HN -0.007 nan 8.230 nan 0.000 0.438 398 R N -0.416 119.992 120.500 -0.152 0.000 2.120 398 R HA -0.130 4.210 4.340 -0.000 0.000 0.234 398 R C 2.151 178.311 176.300 -0.234 0.000 1.123 398 R CA 0.802 56.780 56.100 -0.203 0.000 0.975 398 R CB -0.035 30.145 30.300 -0.201 0.000 0.866 398 R HN 0.327 nan 8.270 nan 0.000 0.446 399 K N 0.294 120.582 120.400 -0.186 0.000 2.067 399 K HA -0.048 4.272 4.320 -0.000 0.000 0.203 399 K C 2.370 178.877 176.600 -0.156 0.000 1.048 399 K CA 1.337 57.516 56.287 -0.180 0.000 0.954 399 K CB -0.244 32.168 32.500 -0.148 0.000 0.737 399 K HN 0.333 nan 8.250 nan 0.000 0.444 400 C N 0.684 119.908 119.300 -0.126 0.000 2.495 400 C HA 0.166 4.626 4.460 -0.000 0.000 0.275 400 C C 0.911 175.844 174.990 -0.096 0.000 1.392 400 C CA -0.428 58.530 59.018 -0.101 0.000 1.766 400 C CB -0.837 26.854 27.740 -0.081 0.000 1.933 400 C HN 0.179 nan 8.230 nan 0.000 0.519 401 N N 1.717 120.351 118.700 -0.109 0.000 2.626 401 N HA 0.336 5.076 4.740 -0.000 0.000 0.249 401 N C -1.979 173.456 175.510 -0.126 0.000 1.021 401 N CA -1.948 51.052 53.050 -0.083 0.000 0.886 401 N CB 1.499 39.956 38.487 -0.051 0.000 1.149 401 N HN 0.127 nan 8.380 nan 0.000 0.517 402 P HA -0.086 nan 4.420 nan 0.000 0.223 402 P C 0.893 178.106 177.300 -0.145 0.000 1.144 402 P CA 0.698 63.673 63.100 -0.208 0.000 0.783 402 P CB 0.287 32.014 31.700 0.044 0.000 0.771 403 A N -0.011 122.830 122.820 0.036 0.000 1.969 403 A HA -0.128 4.192 4.320 -0.000 0.000 0.218 403 A C 2.168 179.753 177.584 0.001 0.000 1.169 403 A CA 1.144 53.250 52.037 0.114 0.000 0.635 403 A CB -1.168 17.915 19.000 0.138 0.000 0.810 403 A HN 0.056 nan 8.150 nan 0.000 0.445 404 I N -0.323 120.196 120.570 -0.084 0.000 2.286 404 I HA -0.174 3.996 4.170 -0.000 0.000 0.245 404 I C 2.850 178.844 176.117 -0.205 0.000 1.104 404 I CA 1.449 62.681 61.300 -0.114 0.000 1.397 404 I CB -1.431 36.493 38.000 -0.126 0.000 1.072 404 I HN 0.363 nan 8.210 nan 0.000 0.417 405 A N -0.011 122.580 122.820 -0.381 0.000 1.898 405 A HA -0.139 4.181 4.320 -0.000 0.000 0.214 405 A C 1.649 178.900 177.584 -0.555 0.000 1.183 405 A CA 1.372 53.042 52.037 -0.612 0.000 0.622 405 A CB -0.461 17.907 19.000 -1.052 0.000 0.824 405 A HN 0.446 nan 8.150 nan 0.000 0.444 406 Y N -0.881 119.246 120.300 -0.289 0.000 2.527 406 Y HA 0.374 4.924 4.550 -0.000 0.000 0.247 406 Y C 1.469 177.327 175.900 -0.070 0.000 1.138 406 Y CA -0.948 56.969 58.100 -0.305 0.000 1.228 406 Y CB -0.653 37.279 38.460 -0.880 0.000 1.252 406 Y HN 0.226 nan 8.280 nan 0.000 0.531 407 G N 0.880 109.766 108.800 0.143 0.000 2.606 407 G HA2 0.359 4.319 3.960 -0.000 0.000 0.252 407 G HA3 0.359 4.319 3.960 -0.000 0.000 0.252 407 G C 0.295 175.310 174.900 0.192 0.000 1.206 407 G CA -0.138 45.116 45.100 0.257 0.000 0.861 407 G HN 0.236 nan 8.290 nan 0.000 0.561 408 S N -0.848 114.970 115.700 0.197 0.000 2.634 408 S HA 0.575 5.045 4.470 -0.000 0.000 0.261 408 S C 0.013 174.696 174.600 0.138 0.000 1.271 408 S CA -0.378 57.912 58.200 0.150 0.000 0.985 408 S CB 1.357 64.638 63.200 0.135 0.000 0.968 408 S HN 0.579 nan 8.310 nan 0.000 0.568 409 T N 1.455 116.084 114.554 0.124 0.000 2.848 409 T HA 0.530 4.880 4.350 -0.000 0.000 0.285 409 T C -0.989 173.795 174.700 0.140 0.000 0.995 409 T CA -0.536 61.648 62.100 0.140 0.000 0.970 409 T CB 1.353 70.281 68.868 0.099 0.000 0.976 409 T HN 0.675 nan 8.240 nan 0.000 0.441 410 Q N 2.102 122.008 119.800 0.177 0.000 2.285 410 Q HA 0.257 4.597 4.340 -0.000 0.000 0.269 410 Q C -1.039 175.082 176.000 0.202 0.000 1.030 410 Q CA -0.677 55.221 55.803 0.158 0.000 0.788 410 Q CB 1.827 30.641 28.738 0.127 0.000 1.266 410 Q HN 0.652 nan 8.270 nan 0.000 0.438 411 E N 3.350 123.655 120.200 0.176 0.000 2.360 411 E HA 0.063 4.413 4.350 -0.000 0.000 0.269 411 E C -0.272 176.434 176.600 0.176 0.000 1.022 411 E CA 0.189 56.707 56.400 0.197 0.000 0.887 411 E CB 0.709 30.495 29.700 0.144 0.000 0.990 411 E HN 0.631 nan 8.360 nan 0.000 0.426 412 R N 3.155 123.786 120.500 0.219 0.000 2.369 412 R HA 0.142 4.482 4.340 -0.000 0.000 0.210 412 R C -0.332 176.141 176.300 0.287 0.000 0.881 412 R CA 0.108 56.338 56.100 0.216 0.000 1.031 412 R CB 0.569 30.997 30.300 0.215 0.000 1.184 412 R HN 0.574 nan 8.270 nan 0.000 0.581 413 W N 0.289 121.644 121.300 0.091 0.000 3.425 413 W HA 0.593 5.253 4.660 -0.000 0.000 0.318 413 W C -1.548 174.994 176.519 0.038 0.000 1.201 413 W CA -0.527 56.856 57.345 0.062 0.000 1.212 413 W CB 1.374 30.872 29.460 0.064 0.000 1.355 413 W HN -0.191 nan 8.180 nan 0.000 0.515 414 I N 5.930 126.453 120.570 -0.078 0.000 2.842 414 I HA 0.447 4.617 4.170 -0.000 0.000 0.297 414 I C -1.557 174.422 176.117 -0.230 0.000 1.380 414 I CA -0.501 60.755 61.300 -0.074 0.000 1.018 414 I CB 1.717 39.628 38.000 -0.149 0.000 1.311 414 I HN 0.656 nan 8.210 nan 0.000 0.439 415 N N 3.415 122.008 118.700 -0.177 0.000 3.344 415 N HA 0.307 5.047 4.740 -0.000 0.000 0.296 415 N C -0.591 174.795 175.510 -0.205 0.000 1.571 415 N CA -0.672 52.328 53.050 -0.084 0.000 0.844 415 N CB 0.356 38.891 38.487 0.080 0.000 1.718 415 N HN 0.592 nan 8.380 nan 0.000 0.589 416 N N -1.058 117.670 118.700 0.047 0.000 2.149 416 N HA -0.113 4.627 4.740 -0.000 0.000 0.188 416 N C -0.291 175.178 175.510 -0.069 0.000 1.019 416 N CA 1.462 54.536 53.050 0.041 0.000 0.857 416 N CB -0.069 38.475 38.487 0.094 0.000 0.997 416 N HN 0.498 nan 8.380 nan 0.000 0.426 417 D N -0.368 120.013 120.400 -0.031 0.000 2.454 417 D HA 0.113 4.753 4.640 -0.000 0.000 0.214 417 D C -0.161 176.125 176.300 -0.023 0.000 1.088 417 D CA 0.235 54.209 54.000 -0.044 0.000 0.855 417 D CB 1.023 41.821 40.800 -0.003 0.000 1.025 417 D HN -0.054 nan 8.370 nan 0.000 0.502 418 V N 1.796 121.731 119.914 0.035 0.000 2.581 418 V HA 0.442 4.562 4.120 -0.000 0.000 0.303 418 V C -0.588 175.576 176.094 0.115 0.000 1.041 418 V CA -0.843 61.524 62.300 0.111 0.000 0.907 418 V CB 2.492 34.448 31.823 0.223 0.000 0.994 418 V HN -0.067 nan 8.190 nan 0.000 0.442 419 L N 5.993 127.313 121.223 0.161 0.000 2.439 419 L HA 0.658 4.998 4.340 -0.000 0.000 0.270 419 L C -0.994 176.071 176.870 0.325 0.000 0.972 419 L CA 0.072 55.044 54.840 0.220 0.000 0.836 419 L CB 1.555 43.723 42.059 0.181 0.000 1.255 419 L HN 0.568 nan 8.230 nan 0.000 0.404 420 I N 6.366 127.147 120.570 0.351 0.000 2.411 420 I HA 0.374 4.544 4.170 -0.000 0.000 0.284 420 I C -1.123 175.188 176.117 0.323 0.000 1.012 420 I CA -0.738 60.740 61.300 0.298 0.000 1.119 420 I CB 1.112 39.303 38.000 0.317 0.000 1.261 420 I HN 0.607 nan 8.210 nan 0.000 0.448 421 Y N 3.361 123.783 120.300 0.204 0.000 2.562 421 Y HA 0.777 5.327 4.550 -0.000 0.000 0.343 421 Y C -0.650 175.335 175.900 0.142 0.000 1.025 421 Y CA -1.417 56.785 58.100 0.171 0.000 1.082 421 Y CB 1.130 39.696 38.460 0.175 0.000 1.264 421 Y HN 0.504 nan 8.280 nan 0.000 0.478 422 E N 2.035 122.389 120.200 0.256 0.000 2.248 422 E HA 0.501 4.851 4.350 -0.000 0.000 0.267 422 E C -1.241 175.476 176.600 0.195 0.000 0.877 422 E CA -1.125 55.367 56.400 0.154 0.000 0.759 422 E CB 1.159 30.930 29.700 0.120 0.000 1.182 422 E HN 0.650 nan 8.360 nan 0.000 0.418 423 R N 3.287 123.876 120.500 0.150 0.000 2.514 423 R HA 0.469 4.809 4.340 -0.000 0.000 0.301 423 R C -0.779 175.603 176.300 0.137 0.000 0.962 423 R CA -0.732 55.458 56.100 0.149 0.000 0.882 423 R CB 1.555 31.929 30.300 0.125 0.000 1.143 423 R HN 0.539 nan 8.270 nan 0.000 0.452 424 K N 2.078 122.576 120.400 0.164 0.000 2.513 424 K HA 0.444 4.764 4.320 -0.000 0.000 0.251 424 K C -1.875 174.884 176.600 0.266 0.000 0.939 424 K CA -0.574 55.818 56.287 0.175 0.000 0.793 424 K CB 1.409 33.983 32.500 0.124 0.000 1.241 424 K HN 0.432 nan 8.250 nan 0.000 0.431 425 F N 4.421 124.424 119.950 0.088 0.000 2.941 425 F HA 0.428 4.955 4.527 -0.000 0.000 0.359 425 F C 0.260 176.106 175.800 0.077 0.000 1.231 425 F CA 0.721 58.779 58.000 0.097 0.000 1.089 425 F CB 1.212 40.293 39.000 0.135 0.000 1.407 425 F HN 0.857 nan 8.300 nan 0.000 0.538 426 G N 3.280 111.813 108.800 -0.445 0.000 2.556 426 G HA2 -0.331 3.629 3.960 -0.000 0.000 0.283 426 G HA3 -0.331 3.629 3.960 -0.000 0.000 0.283 426 G C 0.865 175.726 174.900 -0.065 0.000 1.177 426 G CA 0.240 45.146 45.100 -0.323 0.000 0.978 426 G HN 0.769 nan 8.290 nan 0.000 0.554 427 S N 1.959 117.660 115.700 0.002 0.000 2.562 427 S HA 0.094 4.564 4.470 -0.000 0.000 0.221 427 S C 0.888 175.617 174.600 0.216 0.000 0.975 427 S CA 0.454 58.723 58.200 0.114 0.000 0.918 427 S CB -0.258 63.010 63.200 0.113 0.000 0.772 427 S HN 0.561 nan 8.310 nan 0.000 0.531 428 N N 1.778 120.576 118.700 0.162 0.000 2.514 428 N HA 0.363 5.103 4.740 -0.000 0.000 0.277 428 N C -0.792 174.846 175.510 0.214 0.000 1.126 428 N CA 0.071 53.234 53.050 0.188 0.000 0.978 428 N CB 1.639 40.216 38.487 0.149 0.000 1.106 428 N HN -0.053 nan 8.380 nan 0.000 0.461 429 V N 0.040 120.096 119.914 0.238 0.000 3.007 429 V HA 0.813 4.933 4.120 -0.000 0.000 0.311 429 V C -0.693 175.469 176.094 0.113 0.000 1.120 429 V CA -0.945 61.452 62.300 0.161 0.000 0.980 429 V CB 1.911 33.806 31.823 0.121 0.000 1.033 429 V HN 0.844 nan 8.190 nan 0.000 0.429 430 A N 2.574 125.433 122.820 0.065 0.000 2.465 430 A HA 0.854 5.174 4.320 -0.000 0.000 0.292 430 A C -1.521 176.062 177.584 -0.003 0.000 1.041 430 A CA -0.474 51.578 52.037 0.025 0.000 0.718 430 A CB 1.894 20.899 19.000 0.009 0.000 1.266 430 A HN 0.766 nan 8.150 nan 0.000 0.403 431 V N 2.564 122.472 119.914 -0.010 0.000 2.487 431 V HA 0.619 4.739 4.120 -0.000 0.000 0.298 431 V C -0.462 175.548 176.094 -0.140 0.000 1.028 431 V CA -0.557 61.739 62.300 -0.007 0.000 0.860 431 V CB 1.635 33.547 31.823 0.148 0.000 0.991 431 V HN 0.735 nan 8.190 nan 0.000 0.427 432 V N 3.345 123.015 119.914 -0.407 0.000 2.540 432 V HA 0.878 4.998 4.120 -0.000 0.000 0.302 432 V C 0.137 176.000 176.094 -0.386 0.000 1.035 432 V CA -0.599 61.366 62.300 -0.559 0.000 0.873 432 V CB 1.839 33.197 31.823 -0.774 0.000 0.992 432 V HN 0.994 nan 8.190 nan 0.000 0.428 433 A N 4.191 126.852 122.820 -0.265 0.000 2.331 433 A HA 0.913 5.233 4.320 -0.000 0.000 0.320 433 A C -0.995 176.608 177.584 0.031 0.000 1.138 433 A CA -0.564 51.465 52.037 -0.013 0.000 0.790 433 A CB 1.617 20.695 19.000 0.131 0.000 1.206 433 A HN 0.753 nan 8.150 nan 0.000 0.470 434 V N 2.730 122.732 119.914 0.147 0.000 2.577 434 V HA 0.414 4.534 4.120 -0.000 0.000 0.303 434 V C -0.721 175.466 176.094 0.156 0.000 1.042 434 V CA -0.776 61.633 62.300 0.181 0.000 0.872 434 V CB 1.964 33.975 31.823 0.313 0.000 0.998 434 V HN 0.891 nan 8.190 nan 0.000 0.423 435 N N 3.563 122.340 118.700 0.128 0.000 2.626 435 N HA 0.278 5.018 4.740 -0.000 0.000 0.242 435 N C 1.057 176.626 175.510 0.098 0.000 1.005 435 N CA -0.742 52.362 53.050 0.091 0.000 0.905 435 N CB 1.180 39.707 38.487 0.068 0.000 1.128 435 N HN 0.720 nan 8.380 nan 0.000 0.512 436 R N 2.070 122.612 120.500 0.070 0.000 2.235 436 R HA 0.022 4.361 4.340 -0.000 0.000 0.213 436 R C 0.081 176.409 176.300 0.047 0.000 1.059 436 R CA 0.331 56.470 56.100 0.066 0.000 0.997 436 R CB -0.139 30.099 30.300 -0.103 0.000 0.884 436 R HN 0.243 nan 8.270 nan 0.000 0.462 437 N N 1.851 120.570 118.700 0.031 0.000 2.416 437 N HA -0.018 4.722 4.740 -0.000 0.000 0.265 437 N C 0.521 176.058 175.510 0.045 0.000 1.195 437 N CA 0.108 53.176 53.050 0.030 0.000 0.943 437 N CB 0.834 39.337 38.487 0.026 0.000 1.115 437 N HN 0.310 nan 8.380 nan 0.000 0.481 438 L N 2.929 124.180 121.223 0.047 0.000 2.552 438 L HA 0.006 4.346 4.340 -0.000 0.000 0.227 438 L C 0.770 177.664 176.870 0.040 0.000 1.146 438 L CA 0.679 55.549 54.840 0.051 0.000 0.858 438 L CB -0.099 41.995 42.059 0.058 0.000 0.969 438 L HN 0.516 nan 8.230 nan 0.000 0.451 439 N N -0.526 118.194 118.700 0.033 0.000 2.273 439 N HA 0.235 4.975 4.740 -0.000 0.000 0.192 439 N C 0.233 175.759 175.510 0.027 0.000 1.132 439 N CA 0.031 53.098 53.050 0.028 0.000 0.887 439 N CB 0.858 39.359 38.487 0.023 0.000 1.048 439 N HN 0.141 nan 8.380 nan 0.000 0.490 440 A N 1.407 124.244 122.820 0.028 0.000 2.356 440 A HA 0.614 4.934 4.320 -0.000 0.000 0.310 440 A C -2.679 174.922 177.584 0.027 0.000 1.075 440 A CA -1.544 50.508 52.037 0.026 0.000 0.746 440 A CB 1.335 20.351 19.000 0.026 0.000 1.221 440 A HN -0.148 nan 8.150 nan 0.000 0.443 441 P HA 0.547 nan 4.420 nan 0.000 0.276 441 P C -0.539 176.763 177.300 0.003 0.000 1.252 441 P CA -0.230 62.880 63.100 0.017 0.000 0.802 441 P CB 1.390 33.100 31.700 0.015 0.000 1.035 442 A N 0.440 123.243 122.820 -0.028 0.000 2.365 442 A HA 0.540 4.860 4.320 -0.000 0.000 0.318 442 A C -0.283 177.203 177.584 -0.164 0.000 1.091 442 A CA -0.595 51.403 52.037 -0.065 0.000 0.763 442 A CB 1.009 19.966 19.000 -0.072 0.000 1.248 442 A HN 0.384 nan 8.150 nan 0.000 0.442 443 S N 1.803 117.416 115.700 -0.145 0.000 2.411 443 S HA 0.508 4.978 4.470 -0.000 0.000 0.294 443 S C -0.566 173.806 174.600 -0.380 0.000 1.115 443 S CA -0.348 57.731 58.200 -0.203 0.000 1.071 443 S CB -0.720 62.434 63.200 -0.076 0.000 0.967 443 S HN 0.430 nan 8.310 nan 0.000 0.488 444 I N 5.382 125.516 120.570 -0.727 0.000 2.291 444 I HA 0.300 4.470 4.170 -0.000 0.000 0.290 444 I C 0.163 175.892 176.117 -0.645 0.000 1.050 444 I CA 0.109 60.748 61.300 -1.100 0.000 1.245 444 I CB 1.193 38.127 38.000 -1.777 0.000 1.405 444 I HN 0.641 nan 8.210 nan 0.000 0.478 445 S N 3.274 118.860 115.700 -0.188 0.000 2.570 445 S HA 0.821 5.291 4.470 -0.000 0.000 0.286 445 S C 0.487 175.248 174.600 0.268 0.000 1.099 445 S CA -0.145 58.069 58.200 0.024 0.000 0.913 445 S CB 1.988 65.213 63.200 0.042 0.000 1.085 445 S HN 1.097 nan 8.310 nan 0.000 0.480 446 G N 0.057 108.966 108.800 0.183 0.000 2.176 446 G HA2 -0.217 3.742 3.960 -0.000 0.000 0.253 446 G HA3 -0.217 3.742 3.960 -0.000 0.000 0.253 446 G C -0.152 174.902 174.900 0.257 0.000 0.979 446 G CA 0.120 45.343 45.100 0.205 0.000 0.641 446 G HN 1.276 nan 8.290 nan 0.000 0.530 447 L N 1.316 122.700 121.223 0.269 0.000 2.455 447 L HA 0.618 4.958 4.340 -0.000 0.000 0.272 447 L C 0.216 177.180 176.870 0.157 0.000 1.174 447 L CA -0.111 54.896 54.840 0.278 0.000 0.869 447 L CB 1.270 43.443 42.059 0.189 0.000 1.130 447 L HN 0.114 nan 8.230 nan 0.000 0.474 448 V N 4.864 124.865 119.914 0.145 0.000 2.604 448 V HA 0.753 4.873 4.120 -0.000 0.000 0.305 448 V C 0.157 176.293 176.094 0.070 0.000 1.043 448 V CA 0.130 62.480 62.300 0.083 0.000 0.888 448 V CB 1.978 33.843 31.823 0.070 0.000 0.995 448 V HN 1.041 nan 8.190 nan 0.000 0.429 449 T N 0.410 114.980 114.554 0.028 0.000 2.716 449 T HA 0.375 4.725 4.350 -0.000 0.000 0.286 449 T C 0.399 175.091 174.700 -0.015 0.000 1.052 449 T CA -0.278 61.828 62.100 0.010 0.000 1.024 449 T CB 1.915 70.767 68.868 -0.026 0.000 1.349 449 T HN 0.273 nan 8.240 nan 0.000 0.525 450 S N -0.172 115.514 115.700 -0.024 0.000 2.556 450 S HA 0.343 4.813 4.470 -0.000 0.000 0.216 450 S C 0.602 175.142 174.600 -0.100 0.000 0.970 450 S CA -0.456 57.721 58.200 -0.037 0.000 0.912 450 S CB -0.652 62.546 63.200 -0.004 0.000 0.790 450 S HN 0.459 nan 8.310 nan 0.000 0.504 451 L N 3.055 124.190 121.223 -0.147 0.000 2.456 451 L HA 0.230 4.570 4.340 -0.000 0.000 0.272 451 L C -2.144 174.617 176.870 -0.183 0.000 1.189 451 L CA -1.748 52.943 54.840 -0.250 0.000 0.846 451 L CB -0.026 41.770 42.059 -0.438 0.000 1.111 451 L HN -0.021 nan 8.230 nan 0.000 0.475 452 P HA 0.011 nan 4.420 nan 0.000 0.273 452 P C -0.920 176.382 177.300 0.003 0.000 1.250 452 P CA -0.565 62.436 63.100 -0.164 0.000 0.793 452 P CB 0.403 31.921 31.700 -0.303 0.000 1.011 453 Q N 0.114 119.905 119.800 -0.016 0.000 2.315 453 Q HA 0.394 4.734 4.340 -0.000 0.000 0.289 453 Q C 0.196 176.187 176.000 -0.015 0.000 1.044 453 Q CA 0.856 56.660 55.803 0.001 0.000 0.920 453 Q CB -0.284 28.443 28.738 -0.019 0.000 1.214 453 Q HN 0.745 nan 8.270 nan 0.000 0.392 454 G N 1.475 110.256 108.800 -0.031 0.000 2.362 454 G HA2 0.076 4.036 3.960 -0.000 0.000 0.288 454 G HA3 0.076 4.036 3.960 -0.000 0.000 0.288 454 G C -1.546 173.215 174.900 -0.232 0.000 1.305 454 G CA -0.625 44.368 45.100 -0.178 0.000 0.910 454 G HN 0.530 nan 8.290 nan 0.000 0.518 455 S N -0.487 114.980 115.700 -0.387 0.000 2.454 455 S HA 0.759 5.229 4.470 -0.000 0.000 0.306 455 S C -1.468 172.838 174.600 -0.490 0.000 1.100 455 S CA -0.309 57.715 58.200 -0.293 0.000 1.087 455 S CB 0.901 64.000 63.200 -0.170 0.000 1.019 455 S HN 0.467 nan 8.310 nan 0.000 0.480 456 Y N 2.156 122.391 120.300 -0.109 0.000 2.350 456 Y HA 0.406 4.956 4.550 -0.000 0.000 0.338 456 Y C 0.546 176.504 175.900 0.097 0.000 0.961 456 Y CA -1.091 57.006 58.100 -0.005 0.000 1.100 456 Y CB 1.007 39.464 38.460 -0.005 0.000 1.179 456 Y HN 0.509 nan 8.280 nan 0.000 0.454 457 N N 1.709 120.557 118.700 0.246 0.000 2.503 457 N HA 0.010 4.750 4.740 -0.000 0.000 0.267 457 N C -0.802 174.886 175.510 0.296 0.000 1.214 457 N CA -0.314 52.864 53.050 0.213 0.000 0.959 457 N CB 0.835 39.384 38.487 0.103 0.000 1.142 457 N HN 0.682 nan 8.380 nan 0.000 0.455 458 D N 0.836 121.357 120.400 0.203 0.000 2.371 458 D HA 0.016 4.656 4.640 -0.000 0.000 0.256 458 D C 1.049 177.329 176.300 -0.034 0.000 1.193 458 D CA -0.230 53.775 54.000 0.008 0.000 0.881 458 D CB 0.752 41.533 40.800 -0.032 0.000 1.143 458 D HN 0.137 nan 8.370 nan 0.000 0.473 459 V N 4.412 124.272 119.914 -0.089 0.000 2.568 459 V HA -0.220 3.900 4.120 -0.000 0.000 0.253 459 V C 2.215 178.268 176.094 -0.069 0.000 1.072 459 V CA 1.306 63.569 62.300 -0.062 0.000 1.084 459 V CB -0.523 31.256 31.823 -0.074 0.000 0.676 459 V HN 0.647 nan 8.190 nan 0.000 0.469 460 L N 0.369 121.531 121.223 -0.101 0.000 2.599 460 L HA 0.224 4.564 4.340 -0.000 0.000 0.230 460 L C 1.774 178.619 176.870 -0.042 0.000 1.141 460 L CA 0.768 55.563 54.840 -0.076 0.000 0.877 460 L CB -0.630 41.370 42.059 -0.097 0.000 1.009 460 L HN 0.535 nan 8.230 nan 0.000 0.447 461 G N 0.141 108.922 108.800 -0.031 0.000 2.258 461 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.274 461 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.274 461 G C 1.008 175.907 174.900 -0.002 0.000 1.021 461 G CA 0.394 45.490 45.100 -0.007 0.000 0.798 461 G HN 0.678 nan 8.290 nan 0.000 0.507 462 G N -1.709 107.085 108.800 -0.010 0.000 2.179 462 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.260 462 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.260 462 G C 1.250 176.150 174.900 0.001 0.000 0.977 462 G CA 1.128 46.229 45.100 0.001 0.000 0.641 462 G HN 1.647 nan 8.290 nan 0.000 0.533 463 L N 0.151 121.371 121.223 -0.006 0.000 2.051 463 L HA 0.105 4.445 4.340 -0.000 0.000 0.214 463 L C 2.024 178.898 176.870 0.006 0.000 1.076 463 L CA 2.440 57.281 54.840 0.003 0.000 0.758 463 L CB -0.126 41.933 42.059 0.000 0.000 0.890 463 L HN 0.417 nan 8.230 nan 0.000 0.433 464 L N -0.113 121.106 121.223 -0.007 0.000 2.984 464 L HA 0.253 4.593 4.340 -0.000 0.000 0.246 464 L C 0.185 177.060 176.870 0.009 0.000 1.268 464 L CA -0.105 54.736 54.840 0.003 0.000 1.054 464 L CB -0.727 41.328 42.059 -0.007 0.000 1.393 464 L HN 0.357 nan 8.230 nan 0.000 0.532 465 N N -0.460 118.249 118.700 0.014 0.000 2.747 465 N HA -0.162 4.578 4.740 -0.000 0.000 0.249 465 N C 0.653 176.182 175.510 0.031 0.000 1.107 465 N CA 0.735 53.801 53.050 0.027 0.000 0.707 465 N CB -1.067 37.443 38.487 0.037 0.000 1.054 465 N HN 0.607 nan 8.380 nan 0.000 0.555 466 G N -0.026 108.776 108.800 0.004 0.000 2.621 466 G HA2 0.509 4.469 3.960 -0.000 0.000 0.271 466 G HA3 0.509 4.469 3.960 -0.000 0.000 0.271 466 G C 0.130 175.063 174.900 0.055 0.000 1.236 466 G CA -0.062 45.034 45.100 -0.006 0.000 0.958 466 G HN 0.431 nan 8.290 nan 0.000 0.512 467 N N -1.949 116.825 118.700 0.123 0.000 2.853 467 N HA 0.276 5.015 4.740 -0.000 0.000 0.258 467 N C -1.053 174.613 175.510 0.261 0.000 1.444 467 N CA -0.616 52.521 53.050 0.144 0.000 0.837 467 N CB 1.164 39.714 38.487 0.106 0.000 1.489 467 N HN 0.332 nan 8.380 nan 0.000 0.529 468 T N 0.884 115.510 114.554 0.120 0.000 2.913 468 T HA 0.317 4.667 4.350 -0.000 0.000 0.297 468 T C -0.072 174.499 174.700 -0.215 0.000 1.029 468 T CA -0.205 61.939 62.100 0.073 0.000 1.104 468 T CB 0.377 69.251 68.868 0.010 0.000 0.964 468 T HN 0.375 nan 8.240 nan 0.000 0.532 469 L N 2.431 123.374 121.223 -0.466 0.000 2.322 469 L HA 0.553 4.893 4.340 -0.000 0.000 0.281 469 L C -0.412 176.233 176.870 -0.376 0.000 1.014 469 L CA -0.041 54.290 54.840 -0.848 0.000 0.815 469 L CB 1.887 42.823 42.059 -1.873 0.000 1.247 469 L HN 0.533 nan 8.230 nan 0.000 0.421 470 S N 3.727 119.252 115.700 -0.291 0.000 2.474 470 S HA 0.653 5.123 4.470 -0.000 0.000 0.321 470 S C -0.787 173.755 174.600 -0.097 0.000 1.080 470 S CA -0.532 57.588 58.200 -0.133 0.000 1.106 470 S CB 1.313 64.458 63.200 -0.091 0.000 0.984 470 S HN 0.383 nan 8.310 nan 0.000 0.464 471 V N 3.345 123.244 119.914 -0.026 0.000 2.417 471 V HA 0.677 4.797 4.120 -0.000 0.000 0.291 471 V C 0.906 176.999 176.094 -0.002 0.000 1.024 471 V CA -0.549 61.746 62.300 -0.009 0.000 0.861 471 V CB 1.451 33.299 31.823 0.042 0.000 0.985 471 V HN 0.896 nan 8.190 nan 0.000 0.436 472 G N 2.985 111.778 108.800 -0.010 0.000 2.531 472 G HA2 0.509 4.469 3.960 -0.000 0.000 0.281 472 G HA3 0.509 4.469 3.960 -0.000 0.000 0.281 472 G C 0.264 175.159 174.900 -0.008 0.000 1.382 472 G CA -0.065 45.030 45.100 -0.009 0.000 1.045 472 G HN 0.872 nan 8.290 nan 0.000 0.533 473 S N -1.878 113.817 115.700 -0.008 0.000 2.584 473 S HA 0.423 4.893 4.470 -0.000 0.000 0.270 473 S C 1.373 175.969 174.600 -0.006 0.000 1.346 473 S CA 0.669 58.863 58.200 -0.009 0.000 1.018 473 S CB 0.921 64.116 63.200 -0.007 0.000 0.899 473 S HN 2.413 nan 8.310 nan 0.000 0.542 474 G N 0.657 109.452 108.800 -0.008 0.000 2.162 474 G HA2 0.076 4.036 3.960 -0.000 0.000 0.260 474 G HA3 0.076 4.036 3.960 -0.000 0.000 0.260 474 G C 1.230 176.127 174.900 -0.006 0.000 0.976 474 G CA 0.562 45.660 45.100 -0.004 0.000 0.655 474 G HN 2.422 nan 8.290 nan 0.000 0.533 475 G N -1.096 107.695 108.800 -0.015 0.000 2.168 475 G HA2 0.147 4.107 3.960 -0.000 0.000 0.263 475 G HA3 0.147 4.107 3.960 -0.000 0.000 0.263 475 G C 0.781 175.674 174.900 -0.012 0.000 0.977 475 G CA 1.265 46.351 45.100 -0.024 0.000 0.659 475 G HN 2.350 nan 8.290 nan 0.000 0.533 476 A N 0.035 122.855 122.820 0.000 0.000 2.409 476 A HA 0.790 5.110 4.320 -0.000 0.000 0.267 476 A C 0.831 178.417 177.584 0.003 0.000 1.127 476 A CA 0.942 52.987 52.037 0.014 0.000 0.795 476 A CB 0.492 19.505 19.000 0.021 0.000 1.061 476 A HN 2.033 nan 8.150 nan 0.000 0.502 477 A N 3.040 125.867 122.820 0.012 0.000 2.327 477 A HA 0.597 4.917 4.320 -0.000 0.000 0.283 477 A C 0.854 178.461 177.584 0.038 0.000 1.127 477 A CA 0.157 52.192 52.037 -0.004 0.000 0.810 477 A CB 0.095 19.088 19.000 -0.010 0.000 1.066 477 A HN 1.800 nan 8.150 nan 0.000 0.492 478 S N 2.690 118.406 115.700 0.026 0.000 2.585 478 S HA 0.137 4.607 4.470 -0.000 0.000 0.273 478 S C 0.103 174.768 174.600 0.109 0.000 1.339 478 S CA -0.576 57.651 58.200 0.045 0.000 1.028 478 S CB -0.086 63.125 63.200 0.019 0.000 0.906 478 S HN 0.725 nan 8.310 nan 0.000 0.528 479 N N 1.385 120.122 118.700 0.061 0.000 2.293 479 N HA 0.315 5.055 4.740 -0.000 0.000 0.253 479 N C -0.576 174.997 175.510 0.105 0.000 1.248 479 N CA 0.597 53.659 53.050 0.019 0.000 0.845 479 N CB -0.041 38.440 38.487 -0.009 0.000 1.073 479 N HN 0.680 nan 8.380 nan 0.000 0.464 480 F N -1.865 118.029 119.950 -0.093 0.000 2.668 480 F HA 0.451 4.977 4.527 -0.000 0.000 0.309 480 F C -0.950 174.801 175.800 -0.083 0.000 1.117 480 F CA -1.117 56.835 58.000 -0.081 0.000 0.951 480 F CB 0.956 39.903 39.000 -0.088 0.000 1.323 480 F HN 0.051 nan 8.300 nan 0.000 0.451 481 T N 3.270 117.908 114.554 0.140 0.000 2.799 481 T HA 0.509 4.859 4.350 -0.000 0.000 0.286 481 T C -1.067 173.743 174.700 0.184 0.000 0.973 481 T CA -0.293 61.829 62.100 0.037 0.000 1.035 481 T CB 1.233 70.134 68.868 0.056 0.000 0.932 481 T HN 0.669 nan 8.240 nan 0.000 0.469 482 L N 4.442 125.687 121.223 0.037 0.000 2.272 482 L HA 0.662 5.002 4.340 -0.000 0.000 0.284 482 L C 0.481 177.395 176.870 0.072 0.000 1.045 482 L CA -0.555 54.361 54.840 0.127 0.000 0.842 482 L CB -0.310 41.778 42.059 0.048 0.000 1.224 482 L HN 0.789 nan 8.230 nan 0.000 0.430 483 A N 4.281 127.157 122.820 0.093 0.000 2.547 483 A HA 0.459 4.779 4.320 -0.000 0.000 0.233 483 A C 0.712 178.328 177.584 0.054 0.000 1.067 483 A CA 0.324 52.400 52.037 0.064 0.000 0.763 483 A CB -0.148 18.891 19.000 0.065 0.000 1.007 483 A HN 1.169 nan 8.150 nan 0.000 0.506 484 A N 0.791 123.638 122.820 0.045 0.000 2.548 484 A HA 0.475 4.795 4.320 -0.000 0.000 0.247 484 A C 1.680 179.296 177.584 0.053 0.000 1.067 484 A CA 0.769 52.833 52.037 0.045 0.000 0.757 484 A CB -1.023 18.000 19.000 0.038 0.000 0.996 484 A HN 2.795 nan 8.150 nan 0.000 0.504 485 G N 1.998 110.835 108.800 0.063 0.000 2.187 485 G HA2 -0.024 3.936 3.960 -0.000 0.000 0.261 485 G HA3 -0.024 3.936 3.960 -0.000 0.000 0.261 485 G C 0.806 175.750 174.900 0.073 0.000 1.000 485 G CA 0.755 45.901 45.100 0.077 0.000 0.718 485 G HN 1.919 nan 8.290 nan 0.000 0.519 486 G N -0.899 107.942 108.800 0.068 0.000 2.442 486 G HA2 0.574 4.534 3.960 -0.000 0.000 0.249 486 G HA3 0.574 4.534 3.960 -0.000 0.000 0.249 486 G C -0.150 174.779 174.900 0.049 0.000 1.263 486 G CA 0.735 45.870 45.100 0.059 0.000 0.846 486 G HN 0.707 nan 8.290 nan 0.000 0.555 487 T N 0.333 114.889 114.554 0.005 0.000 3.011 487 T HA 0.646 4.996 4.350 -0.000 0.000 0.303 487 T C -0.282 174.324 174.700 -0.156 0.000 0.997 487 T CA -0.052 62.021 62.100 -0.044 0.000 1.007 487 T CB 1.606 70.464 68.868 -0.017 0.000 1.017 487 T HN 1.049 nan 8.240 nan 0.000 0.443 488 A N 2.489 125.116 122.820 -0.322 0.000 2.498 488 A HA 0.929 5.249 4.320 -0.000 0.000 0.298 488 A C -1.237 175.796 177.584 -0.919 0.000 1.075 488 A CA -0.744 50.910 52.037 -0.639 0.000 0.714 488 A CB 1.655 20.162 19.000 -0.823 0.000 1.299 488 A HN 0.654 nan 8.150 nan 0.000 0.407 489 V N 1.929 121.279 119.914 -0.941 0.000 2.525 489 V HA 0.493 4.613 4.120 -0.000 0.000 0.299 489 V C -1.262 174.418 176.094 -0.690 0.000 1.034 489 V CA -0.502 61.365 62.300 -0.721 0.000 0.863 489 V CB 1.367 32.976 31.823 -0.355 0.000 0.999 489 V HN 0.817 nan 8.190 nan 0.000 0.423 490 W N 4.265 125.498 121.300 -0.112 0.000 2.587 490 W HA 0.754 5.414 4.660 -0.000 0.000 0.324 490 W C -0.217 176.231 176.519 -0.117 0.000 1.040 490 W CA -0.703 56.576 57.345 -0.110 0.000 1.222 490 W CB 2.098 31.437 29.460 -0.201 0.000 1.381 490 W HN 0.720 nan 8.180 nan 0.000 0.483 491 Q N 1.481 121.387 119.800 0.177 0.000 2.501 491 Q HA 0.727 5.067 4.340 -0.000 0.000 0.288 491 Q C -2.089 174.077 176.000 0.278 0.000 1.051 491 Q CA -1.053 54.833 55.803 0.138 0.000 0.788 491 Q CB 3.278 32.062 28.738 0.077 0.000 1.469 491 Q HN 0.361 nan 8.270 nan 0.000 0.416 492 Y N 0.294 120.645 120.300 0.086 0.000 2.441 492 Y HA 0.674 5.224 4.550 -0.000 0.000 0.334 492 Y C -1.690 174.257 175.900 0.079 0.000 1.061 492 Y CA -0.197 57.982 58.100 0.132 0.000 1.032 492 Y CB 2.276 40.834 38.460 0.165 0.000 1.266 492 Y HN 1.005 nan 8.280 nan 0.000 0.441 493 T N 2.362 116.583 114.554 -0.556 0.000 2.907 493 T HA 1.010 5.360 4.350 -0.000 0.000 0.292 493 T C -0.794 173.489 174.700 -0.696 0.000 1.043 493 T CA -0.336 61.490 62.100 -0.456 0.000 1.003 493 T CB 1.822 70.567 68.868 -0.204 0.000 1.084 493 T HN 1.402 nan 8.240 nan 0.000 0.483 494 A N 0.870 123.465 122.820 -0.374 0.000 2.586 494 A HA 0.867 5.186 4.320 -0.000 0.000 0.291 494 A C -0.356 177.177 177.584 -0.085 0.000 1.062 494 A CA -0.712 51.180 52.037 -0.242 0.000 0.666 494 A CB 0.463 19.339 19.000 -0.206 0.000 1.281 494 A HN 1.752 nan 8.150 nan 0.000 0.421 495 A N 0.472 123.264 122.820 -0.046 0.000 2.498 495 A HA 0.549 4.869 4.320 -0.000 0.000 0.239 495 A C 0.422 178.001 177.584 -0.008 0.000 1.068 495 A CA 0.773 52.796 52.037 -0.023 0.000 0.766 495 A CB -0.415 18.578 19.000 -0.012 0.000 1.003 495 A HN 1.032 nan 8.150 nan 0.000 0.497 496 T N 2.523 117.065 114.554 -0.020 0.000 2.749 496 T HA 0.457 4.807 4.350 -0.000 0.000 0.287 496 T C 1.382 176.070 174.700 -0.021 0.000 0.970 496 T CA 0.231 62.311 62.100 -0.032 0.000 0.980 496 T CB 1.521 70.343 68.868 -0.077 0.000 0.924 496 T HN 0.861 nan 8.240 nan 0.000 0.456 497 A N 3.328 126.143 122.820 -0.008 0.000 1.854 497 A HA 0.093 4.413 4.320 -0.000 0.000 0.214 497 A C 1.601 179.195 177.584 0.018 0.000 1.192 497 A CA 1.019 53.062 52.037 0.009 0.000 0.611 497 A CB -0.516 18.492 19.000 0.014 0.000 0.832 497 A HN 0.698 nan 8.150 nan 0.000 0.442 498 T N -0.057 114.500 114.554 0.004 0.000 2.909 498 T HA 0.498 4.848 4.350 -0.000 0.000 0.286 498 T C -3.012 171.704 174.700 0.025 0.000 1.002 498 T CA -2.338 59.776 62.100 0.024 0.000 1.074 498 T CB 1.058 69.933 68.868 0.012 0.000 0.984 498 T HN 0.016 nan 8.240 nan 0.000 0.495 499 P HA 0.226 nan 4.420 nan 0.000 0.263 499 P C -0.840 176.530 177.300 0.117 0.000 1.195 499 P CA 0.041 63.258 63.100 0.195 0.000 0.762 499 P CB 0.196 32.093 31.700 0.329 0.000 0.799 500 T N 4.375 118.957 114.554 0.046 0.000 2.881 500 T HA 0.466 4.816 4.350 -0.000 0.000 0.291 500 T C 0.238 175.040 174.700 0.171 0.000 0.990 500 T CA -0.432 61.654 62.100 -0.023 0.000 0.976 500 T CB 0.686 69.317 68.868 -0.395 0.000 0.970 500 T HN 0.178 nan 8.240 nan 0.000 0.438 501 I N 2.665 123.389 120.570 0.257 0.000 2.352 501 I HA 0.370 4.540 4.170 -0.000 0.000 0.290 501 I C 1.318 177.596 176.117 0.269 0.000 1.036 501 I CA -0.064 61.386 61.300 0.250 0.000 1.336 501 I CB 1.223 39.303 38.000 0.134 0.000 1.407 501 I HN 0.918 nan 8.210 nan 0.000 0.497 502 G N 5.119 113.877 108.800 -0.070 0.000 2.784 502 G HA2 0.046 4.006 3.960 -0.000 0.000 0.208 502 G HA3 0.046 4.006 3.960 -0.000 0.000 0.208 502 G C 0.332 174.904 174.900 -0.547 0.000 1.120 502 G CA 0.294 45.053 45.100 -0.569 0.000 0.774 502 G HN 0.627 nan 8.290 nan 0.000 0.528 503 H N -1.175 117.454 119.070 -0.735 0.000 3.068 503 H HA 0.473 5.029 4.556 -0.000 0.000 0.342 503 H C -2.164 172.762 175.328 -0.670 0.000 1.284 503 H CA -0.268 55.404 56.048 -0.625 0.000 1.181 503 H CB 2.149 31.710 29.762 -0.336 0.000 1.898 503 H HN -0.092 nan 8.280 nan 0.000 0.540 504 V N 1.982 121.222 119.914 -1.124 0.000 2.733 504 V HA 0.693 4.813 4.120 -0.000 0.000 0.306 504 V C 0.008 175.919 176.094 -0.305 0.000 1.084 504 V CA -0.149 61.814 62.300 -0.562 0.000 0.905 504 V CB 1.816 33.348 31.823 -0.484 0.000 1.010 504 V HN 0.923 nan 8.190 nan 0.000 0.424 505 G N 4.396 113.208 108.800 0.020 0.000 2.755 505 G HA2 0.730 4.690 3.960 -0.000 0.000 0.297 505 G HA3 0.730 4.690 3.960 -0.000 0.000 0.297 505 G C -3.409 171.610 174.900 0.199 0.000 1.441 505 G CA -1.083 44.127 45.100 0.184 0.000 0.964 505 G HN 0.480 nan 8.290 nan 0.000 0.540 506 P HA 0.275 nan 4.420 nan 0.000 0.277 506 P C 0.409 177.865 177.300 0.260 0.000 1.276 506 P CA -0.374 62.854 63.100 0.214 0.000 0.788 506 P CB 0.973 32.764 31.700 0.151 0.000 1.114 507 M N -1.111 118.550 119.600 0.101 0.000 2.356 507 M HA 0.293 4.773 4.480 -0.000 0.000 0.262 507 M C 0.435 176.383 176.300 -0.587 0.000 1.097 507 M CA 0.437 55.701 55.300 -0.061 0.000 0.991 507 M CB -0.379 32.238 32.600 0.028 0.000 1.450 507 M HN 0.420 nan 8.290 nan 0.000 0.495 508 M N 0.979 120.329 119.600 -0.416 0.000 2.234 508 M HA 0.620 5.100 4.480 -0.000 0.000 0.267 508 M C -2.150 174.043 176.300 -0.179 0.000 1.022 508 M CA -0.172 54.873 55.300 -0.425 0.000 0.993 508 M CB 1.949 34.405 32.600 -0.240 0.000 1.836 508 M HN 0.042 nan 8.290 nan 0.000 0.479 509 A N 3.785 126.540 122.820 -0.108 0.000 2.540 509 A HA 0.662 4.982 4.320 -0.000 0.000 0.291 509 A C -1.897 175.736 177.584 0.082 0.000 1.083 509 A CA -0.948 51.116 52.037 0.045 0.000 0.650 509 A CB 1.617 20.696 19.000 0.133 0.000 1.292 509 A HN 0.872 nan 8.150 nan 0.000 0.435 510 K N 0.266 120.699 120.400 0.055 0.000 2.090 510 K HA 0.682 5.002 4.320 -0.000 0.000 0.249 510 K C -2.673 173.939 176.600 0.019 0.000 0.995 510 K CA -1.600 54.708 56.287 0.036 0.000 0.914 510 K CB 0.789 33.298 32.500 0.015 0.000 1.057 510 K HN 0.280 nan 8.250 nan 0.000 0.462 511 P HA -0.028 nan 4.420 nan 0.000 0.265 511 P C 0.544 177.808 177.300 -0.060 0.000 1.187 511 P CA 1.136 64.189 63.100 -0.078 0.000 0.766 511 P CB 0.524 32.168 31.700 -0.093 0.000 0.820 512 G N 0.641 109.391 108.800 -0.084 0.000 2.258 512 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.233 512 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.233 512 G C 0.099 174.979 174.900 -0.034 0.000 1.006 512 G CA -0.046 45.020 45.100 -0.057 0.000 0.620 512 G HN 0.550 nan 8.290 nan 0.000 0.511 513 V N 2.160 122.066 119.914 -0.014 0.000 2.811 513 V HA 0.473 4.593 4.120 -0.000 0.000 0.302 513 V C 0.967 177.069 176.094 0.014 0.000 1.063 513 V CA 0.746 63.054 62.300 0.013 0.000 1.088 513 V CB 1.454 33.306 31.823 0.050 0.000 0.982 513 V HN 0.337 nan 8.190 nan 0.000 0.485 514 T N 6.023 120.587 114.554 0.017 0.000 2.771 514 T HA 0.569 4.919 4.350 -0.000 0.000 0.291 514 T C -0.093 174.634 174.700 0.045 0.000 0.954 514 T CA -0.062 62.048 62.100 0.017 0.000 1.045 514 T CB 0.427 69.296 68.868 0.001 0.000 0.917 514 T HN 0.601 nan 8.240 nan 0.000 0.484 515 I N 0.168 120.766 120.570 0.047 0.000 2.707 515 I HA 0.746 4.916 4.170 -0.000 0.000 0.309 515 I C -0.387 175.734 176.117 0.008 0.000 1.001 515 I CA -0.758 60.578 61.300 0.061 0.000 1.129 515 I CB 1.961 40.003 38.000 0.071 0.000 1.308 515 I HN 0.321 nan 8.210 nan 0.000 0.466 516 T N 5.703 120.266 114.554 0.015 0.000 2.770 516 T HA 0.599 4.949 4.350 -0.000 0.000 0.283 516 T C -0.216 174.446 174.700 -0.064 0.000 0.988 516 T CA -0.196 61.893 62.100 -0.019 0.000 0.957 516 T CB 0.960 69.842 68.868 0.023 0.000 0.930 516 T HN 0.397 nan 8.240 nan 0.000 0.443 517 I N 3.554 124.042 120.570 -0.137 0.000 2.354 517 I HA 0.360 4.530 4.170 -0.000 0.000 0.286 517 I C -0.455 175.630 176.117 -0.055 0.000 1.007 517 I CA -0.763 60.418 61.300 -0.198 0.000 1.167 517 I CB 1.210 38.992 38.000 -0.362 0.000 1.320 517 I HN 0.467 nan 8.210 nan 0.000 0.458 518 D N 4.737 125.116 120.400 -0.035 0.000 2.252 518 D HA 0.781 5.421 4.640 -0.000 0.000 0.245 518 D C 0.275 176.471 176.300 -0.173 0.000 1.009 518 D CA -0.050 53.936 54.000 -0.023 0.000 0.870 518 D CB 2.657 43.404 40.800 -0.089 0.000 1.251 518 D HN 0.760 nan 8.370 nan 0.000 0.460 519 G N 0.615 109.241 108.800 -0.289 0.000 2.552 519 G HA2 0.252 4.212 3.960 -0.000 0.000 0.137 519 G HA3 0.252 4.212 3.960 -0.000 0.000 0.137 519 G C -1.283 173.348 174.900 -0.449 0.000 1.135 519 G CA -0.593 44.301 45.100 -0.342 0.000 1.047 519 G HN 0.322 nan 8.290 nan 0.000 0.501 520 R N -0.848 119.337 120.500 -0.525 0.000 2.739 520 R HA 0.586 4.926 4.340 -0.000 0.000 0.271 520 R C 0.410 176.425 176.300 -0.475 0.000 1.010 520 R CA -0.067 55.776 56.100 -0.428 0.000 0.897 520 R CB 1.381 31.652 30.300 -0.048 0.000 1.236 520 R HN 2.244 nan 8.270 nan 0.000 0.466 521 G N 1.139 109.777 108.800 -0.271 0.000 2.176 521 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.252 521 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.252 521 G C 0.222 175.186 174.900 0.106 0.000 1.024 521 G CA 0.250 45.308 45.100 -0.070 0.000 0.755 521 G HN 0.439 nan 8.290 nan 0.000 0.507 522 F N 0.734 120.709 119.950 0.041 0.000 2.367 522 F HA 0.385 4.912 4.527 -0.000 0.000 0.298 522 F C 2.061 178.084 175.800 0.371 0.000 1.094 522 F CA 1.199 59.252 58.000 0.088 0.000 1.409 522 F CB -0.636 38.200 39.000 -0.272 0.000 1.064 522 F HN 1.175 nan 8.300 nan 0.000 0.528 523 G N -0.259 108.798 108.800 0.429 0.000 2.710 523 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.668 523 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.668 523 G C 0.661 175.821 174.900 0.432 0.000 1.320 523 G CA -0.101 45.214 45.100 0.359 0.000 0.860 523 G HN 0.361 nan 8.290 nan 0.000 0.538 524 S N -1.384 114.473 115.700 0.262 0.000 2.492 524 S HA 0.425 4.895 4.470 -0.000 0.000 0.218 524 S C 1.136 175.829 174.600 0.155 0.000 1.016 524 S CA 1.199 59.538 58.200 0.232 0.000 0.916 524 S CB 0.308 63.582 63.200 0.124 0.000 0.791 524 S HN 1.253 nan 8.310 nan 0.000 0.513 525 S N 2.082 117.776 115.700 -0.010 0.000 2.554 525 S HA 0.353 4.822 4.470 -0.000 0.000 0.278 525 S C -0.142 174.022 174.600 -0.727 0.000 1.242 525 S CA -0.752 57.314 58.200 -0.222 0.000 1.051 525 S CB 0.832 63.927 63.200 -0.175 0.000 0.986 525 S HN 0.291 nan 8.310 nan 0.000 0.502 526 K N 1.584 121.553 120.400 -0.718 0.000 2.511 526 K HA 0.133 4.453 4.320 -0.000 0.000 0.280 526 K C 0.854 176.701 176.600 -1.255 0.000 1.008 526 K CA 0.039 55.661 56.287 -1.108 0.000 1.050 526 K CB 0.261 32.481 32.500 -0.466 0.000 0.889 526 K HN 0.765 nan 8.250 nan 0.000 0.484 527 G N 1.728 109.267 108.800 -2.100 0.000 3.310 527 G HA2 0.316 4.276 3.960 -0.000 0.000 0.176 527 G HA3 0.316 4.276 3.960 -0.000 0.000 0.176 527 G C -0.753 173.833 174.900 -0.523 0.000 1.307 527 G CA -0.185 44.259 45.100 -1.093 0.000 0.935 527 G HN 0.498 nan 8.290 nan 0.000 0.628 528 T N -0.397 114.064 114.554 -0.155 0.000 2.893 528 T HA 0.565 4.915 4.350 -0.000 0.000 0.293 528 T C -1.099 173.570 174.700 -0.052 0.000 1.027 528 T CA -0.247 61.770 62.100 -0.138 0.000 0.988 528 T CB 2.177 70.896 68.868 -0.248 0.000 1.043 528 T HN 0.294 nan 8.240 nan 0.000 0.461 529 V N 3.077 122.880 119.914 -0.186 0.000 2.495 529 V HA 0.508 4.628 4.120 -0.000 0.000 0.298 529 V C -1.396 174.510 176.094 -0.314 0.000 1.031 529 V CA -0.858 61.347 62.300 -0.159 0.000 0.871 529 V CB 1.087 32.869 31.823 -0.069 0.000 0.988 529 V HN 0.818 nan 8.190 nan 0.000 0.432 530 Y N 3.832 124.063 120.300 -0.115 0.000 2.352 530 Y HA 0.622 5.172 4.550 -0.000 0.000 0.339 530 Y C -0.451 175.315 175.900 -0.222 0.000 0.992 530 Y CA -0.967 57.100 58.100 -0.056 0.000 1.100 530 Y CB 1.569 40.021 38.460 -0.013 0.000 1.192 530 Y HN 0.518 nan 8.280 nan 0.000 0.458 531 F N 2.588 122.588 119.950 0.082 0.000 2.307 531 F HA 0.547 5.074 4.527 -0.000 0.000 0.369 531 F C 0.942 176.865 175.800 0.206 0.000 1.076 531 F CA -0.330 57.680 58.000 0.017 0.000 1.149 531 F CB 0.760 39.611 39.000 -0.249 0.000 1.410 531 F HN 0.815 nan 8.300 nan 0.000 0.481 532 G N 2.078 111.114 108.800 0.393 0.000 2.531 532 G HA2 -0.387 3.573 3.960 -0.000 0.000 0.274 532 G HA3 -0.387 3.573 3.960 -0.000 0.000 0.274 532 G C 1.154 176.222 174.900 0.281 0.000 1.159 532 G CA 0.388 45.717 45.100 0.382 0.000 0.969 532 G HN 0.732 nan 8.290 nan 0.000 0.554 533 T N -1.798 112.914 114.554 0.263 0.000 3.067 533 T HA 0.328 4.678 4.350 -0.000 0.000 0.257 533 T C 1.254 176.119 174.700 0.276 0.000 1.105 533 T CA 1.709 63.940 62.100 0.219 0.000 1.104 533 T CB -0.185 68.774 68.868 0.153 0.000 0.925 533 T HN 0.847 nan 8.240 nan 0.000 0.498 534 T N 3.210 117.923 114.554 0.264 0.000 2.888 534 T HA 0.553 4.903 4.350 -0.000 0.000 0.301 534 T C 0.134 174.936 174.700 0.171 0.000 1.001 534 T CA -0.207 62.004 62.100 0.186 0.000 1.147 534 T CB 0.615 69.547 68.868 0.107 0.000 0.931 534 T HN 0.556 nan 8.240 nan 0.000 0.541 535 A N 3.581 126.429 122.820 0.047 0.000 2.305 535 A HA 0.694 5.014 4.320 -0.000 0.000 0.322 535 A C -0.431 177.067 177.584 -0.143 0.000 1.187 535 A CA -0.627 51.297 52.037 -0.189 0.000 0.825 535 A CB 0.837 19.696 19.000 -0.235 0.000 1.164 535 A HN 0.671 nan 8.150 nan 0.000 0.498 536 V N 2.405 122.212 119.914 -0.178 0.000 2.540 536 V HA 0.763 4.883 4.120 -0.000 0.000 0.302 536 V C 0.110 176.131 176.094 -0.122 0.000 1.035 536 V CA 0.118 62.362 62.300 -0.093 0.000 0.873 536 V CB 1.497 33.327 31.823 0.012 0.000 0.992 536 V HN 1.305 nan 8.190 nan 0.000 0.428 537 S N 2.607 118.248 115.700 -0.098 0.000 2.656 537 S HA 0.951 5.421 4.470 -0.000 0.000 0.273 537 S C 0.059 174.612 174.600 -0.079 0.000 1.168 537 S CA 0.177 58.315 58.200 -0.104 0.000 0.817 537 S CB 1.570 64.688 63.200 -0.137 0.000 1.146 537 S HN 2.230 nan 8.310 nan 0.000 0.475 538 G N 1.413 110.161 108.800 -0.087 0.000 2.527 538 G HA2 0.086 4.046 3.960 -0.000 0.000 0.268 538 G HA3 0.086 4.046 3.960 -0.000 0.000 0.268 538 G C 1.106 175.979 174.900 -0.044 0.000 1.175 538 G CA 1.100 46.159 45.100 -0.068 0.000 0.962 538 G HN 2.010 nan 8.290 nan 0.000 0.560 539 A N -0.888 121.909 122.820 -0.038 0.000 1.903 539 A HA -0.118 4.202 4.320 -0.000 0.000 0.219 539 A C 2.000 179.571 177.584 -0.022 0.000 1.191 539 A CA 2.969 54.989 52.037 -0.028 0.000 0.638 539 A CB -0.831 18.152 19.000 -0.029 0.000 0.823 539 A HN 0.802 nan 8.150 nan 0.000 0.451 540 D N -0.570 119.813 120.400 -0.029 0.000 2.311 540 D HA -0.034 4.606 4.640 -0.000 0.000 0.212 540 D C 0.480 176.777 176.300 -0.005 0.000 0.972 540 D CA 0.625 54.608 54.000 -0.027 0.000 0.887 540 D CB -0.261 40.510 40.800 -0.049 0.000 0.915 540 D HN 0.501 nan 8.370 nan 0.000 0.497 541 I N 1.289 121.865 120.570 0.011 0.000 2.278 541 I HA -0.003 4.167 4.170 -0.000 0.000 0.296 541 I C 1.275 177.422 176.117 0.050 0.000 1.121 541 I CA -0.132 61.200 61.300 0.053 0.000 1.267 541 I CB 1.035 39.095 38.000 0.100 0.000 1.447 541 I HN -0.150 nan 8.210 nan 0.000 0.509 542 T N 2.716 117.292 114.554 0.035 0.000 2.684 542 T HA -0.107 4.243 4.350 -0.000 0.000 0.267 542 T C 0.770 175.498 174.700 0.047 0.000 1.036 542 T CA 1.343 63.459 62.100 0.027 0.000 1.148 542 T CB -0.100 68.775 68.868 0.011 0.000 0.863 542 T HN 0.700 nan 8.240 nan 0.000 0.436 543 S N -0.766 114.977 115.700 0.072 0.000 2.550 543 S HA 0.556 5.026 4.470 -0.000 0.000 0.270 543 S C -2.210 172.499 174.600 0.181 0.000 1.145 543 S CA -1.119 57.142 58.200 0.101 0.000 0.852 543 S CB 2.344 65.577 63.200 0.056 0.000 1.119 543 S HN 0.425 nan 8.310 nan 0.000 0.465 544 W N 3.116 124.407 121.300 -0.016 0.000 3.132 544 W HA 0.549 5.209 4.660 -0.000 0.000 0.337 544 W C -1.367 175.171 176.519 0.031 0.000 1.082 544 W CA -0.464 56.877 57.345 -0.007 0.000 1.242 544 W CB 1.685 31.126 29.460 -0.032 0.000 1.354 544 W HN 1.169 nan 8.180 nan 0.000 0.461 545 E N 1.727 121.994 120.200 0.112 0.000 2.456 545 E HA 0.301 4.651 4.350 -0.000 0.000 0.276 545 E C -0.143 176.529 176.600 0.119 0.000 0.981 545 E CA -0.505 55.996 56.400 0.169 0.000 0.814 545 E CB 1.829 31.587 29.700 0.096 0.000 1.382 545 E HN 0.136 nan 8.360 nan 0.000 0.459 546 D N -0.355 120.123 120.400 0.129 0.000 2.133 546 D HA -0.187 4.453 4.640 -0.000 0.000 0.195 546 D C 1.597 177.823 176.300 -0.123 0.000 0.997 546 D CA 2.699 56.739 54.000 0.067 0.000 0.840 546 D CB 0.128 40.946 40.800 0.030 0.000 0.947 546 D HN 0.588 nan 8.370 nan 0.000 0.452 547 T N -3.476 111.023 114.554 -0.092 0.000 3.069 547 T HA 0.124 4.474 4.350 -0.000 0.000 0.252 547 T C 0.480 175.172 174.700 -0.014 0.000 1.053 547 T CA -0.446 61.539 62.100 -0.192 0.000 0.964 547 T CB 0.400 69.205 68.868 -0.105 0.000 1.005 547 T HN 0.159 nan 8.240 nan 0.000 0.532 548 Q N 0.103 119.976 119.800 0.121 0.000 2.386 548 Q HA 0.613 4.953 4.340 -0.000 0.000 0.274 548 Q C -2.199 173.742 176.000 -0.099 0.000 1.011 548 Q CA -0.888 54.962 55.803 0.079 0.000 0.867 548 Q CB 1.961 30.699 28.738 0.001 0.000 1.409 548 Q HN 0.449 nan 8.270 nan 0.000 0.395 549 I N 2.606 123.034 120.570 -0.237 0.000 2.545 549 I HA 0.477 4.647 4.170 -0.000 0.000 0.292 549 I C -0.775 175.233 176.117 -0.181 0.000 1.040 549 I CA -0.799 60.286 61.300 -0.360 0.000 1.068 549 I CB 2.178 39.726 38.000 -0.754 0.000 1.251 549 I HN 0.377 nan 8.210 nan 0.000 0.424 550 K N 5.232 125.580 120.400 -0.087 0.000 2.394 550 K HA 0.702 5.022 4.320 -0.000 0.000 0.260 550 K C -1.477 175.115 176.600 -0.013 0.000 0.967 550 K CA -0.590 55.673 56.287 -0.041 0.000 0.855 550 K CB 2.751 35.241 32.500 -0.017 0.000 1.101 550 K HN 0.355 nan 8.250 nan 0.000 0.433 551 V N 2.893 122.800 119.914 -0.012 0.000 2.971 551 V HA 0.343 4.462 4.120 -0.000 0.000 0.309 551 V C -1.376 174.728 176.094 0.018 0.000 1.130 551 V CA -0.941 61.369 62.300 0.018 0.000 0.964 551 V CB 2.131 33.979 31.823 0.042 0.000 1.029 551 V HN 0.643 nan 8.190 nan 0.000 0.427 552 K N 5.441 125.835 120.400 -0.010 0.000 2.276 552 K HA 0.494 4.814 4.320 -0.000 0.000 0.283 552 K C -0.439 176.069 176.600 -0.153 0.000 1.044 552 K CA -0.255 55.998 56.287 -0.056 0.000 0.944 552 K CB 1.210 33.672 32.500 -0.063 0.000 1.012 552 K HN 0.578 nan 8.250 nan 0.000 0.472 553 I N 5.946 126.384 120.570 -0.220 0.000 2.618 553 I HA 0.005 4.175 4.170 -0.000 0.000 0.284 553 I C -1.714 174.100 176.117 -0.506 0.000 1.146 553 I CA -1.656 59.322 61.300 -0.536 0.000 1.425 553 I CB 0.230 38.031 38.000 -0.332 0.000 1.383 553 I HN 0.381 nan 8.210 nan 0.000 0.562 554 P HA 0.062 nan 4.420 nan 0.000 0.272 554 P C -0.602 176.499 177.300 -0.333 0.000 1.230 554 P CA -0.538 62.291 63.100 -0.452 0.000 0.788 554 P CB 0.686 32.103 31.700 -0.472 0.000 0.949 555 A N 1.935 124.634 122.820 -0.203 0.000 3.077 555 A HA 0.343 4.663 4.320 -0.000 0.000 0.255 555 A C 0.701 178.220 177.584 -0.108 0.000 1.728 555 A CA -0.371 51.588 52.037 -0.131 0.000 1.383 555 A CB -1.568 17.382 19.000 -0.083 0.000 1.097 555 A HN 0.409 nan 8.150 nan 0.000 0.634 556 V N -2.203 117.618 119.914 -0.154 0.000 2.997 556 V HA 0.821 4.941 4.120 -0.000 0.000 0.311 556 V C 0.754 176.861 176.094 0.021 0.000 1.066 556 V CA -0.849 61.402 62.300 -0.082 0.000 1.039 556 V CB 0.678 32.376 31.823 -0.208 0.000 1.081 556 V HN 0.821 nan 8.190 nan 0.000 0.467 557 A N 1.603 124.497 122.820 0.123 0.000 2.507 557 A HA 0.538 4.858 4.320 -0.000 0.000 0.235 557 A C 0.999 178.709 177.584 0.211 0.000 1.070 557 A CA 0.340 52.462 52.037 0.142 0.000 0.768 557 A CB -0.617 18.468 19.000 0.142 0.000 1.011 557 A HN 2.024 nan 8.150 nan 0.000 0.502 558 G N -0.223 108.664 108.800 0.144 0.000 2.414 558 G HA2 0.568 4.528 3.960 -0.000 0.000 0.236 558 G HA3 0.568 4.528 3.960 -0.000 0.000 0.236 558 G C 0.423 175.440 174.900 0.195 0.000 1.293 558 G CA 0.598 45.793 45.100 0.159 0.000 0.869 558 G HN 1.930 nan 8.290 nan 0.000 0.556 559 G N 0.554 109.503 108.800 0.248 0.000 2.324 559 G HA2 0.280 4.240 3.960 -0.000 0.000 0.293 559 G HA3 0.280 4.240 3.960 -0.000 0.000 0.293 559 G C -1.322 173.653 174.900 0.125 0.000 1.297 559 G CA -0.927 44.233 45.100 0.101 0.000 0.853 559 G HN 0.813 nan 8.290 nan 0.000 0.535 560 N N -0.566 118.077 118.700 -0.094 0.000 2.426 560 N HA 0.702 5.442 4.740 -0.000 0.000 0.275 560 N C -1.447 173.977 175.510 -0.144 0.000 1.019 560 N CA -0.242 52.807 53.050 -0.001 0.000 0.941 560 N CB 0.658 39.133 38.487 -0.019 0.000 1.123 560 N HN 0.439 nan 8.380 nan 0.000 0.486 561 Y N 1.056 121.496 120.300 0.233 0.000 2.477 561 Y HA 0.424 4.974 4.550 0.000 0.000 0.347 561 Y C -0.284 175.746 175.900 0.217 0.000 0.981 561 Y CA -1.139 57.103 58.100 0.238 0.000 1.033 561 Y CB 1.436 40.095 38.460 0.331 0.000 1.245 561 Y HN 0.435 nan 8.280 nan 0.000 0.455 562 N N 2.639 121.507 118.700 0.280 0.000 2.479 562 N HA 0.371 5.111 4.740 -0.000 0.000 0.285 562 N C -0.867 174.713 175.510 0.116 0.000 1.075 562 N CA -0.335 52.821 53.050 0.176 0.000 0.967 562 N CB 1.129 39.678 38.487 0.104 0.000 1.137 562 N HN 0.432 nan 8.380 nan 0.000 0.472 563 I N 1.115 121.718 120.570 0.055 0.000 2.385 563 I HA 0.385 4.555 4.170 -0.000 0.000 0.294 563 I C 0.502 176.595 176.117 -0.039 0.000 0.988 563 I CA -0.322 60.904 61.300 -0.122 0.000 1.265 563 I CB 0.873 38.732 38.000 -0.235 0.000 1.388 563 I HN 0.349 nan 8.210 nan 0.000 0.480 564 K N 4.494 124.859 120.400 -0.058 0.000 2.536 564 K HA 0.731 5.051 4.320 -0.000 0.000 0.269 564 K C -1.592 175.057 176.600 0.082 0.000 0.965 564 K CA -0.551 55.747 56.287 0.018 0.000 0.860 564 K CB 3.011 35.513 32.500 0.004 0.000 1.423 564 K HN 0.436 nan 8.250 nan 0.000 0.438 565 V N -1.443 118.525 119.914 0.089 0.000 3.078 565 V HA 0.990 5.110 4.120 -0.000 0.000 0.311 565 V C -1.489 174.749 176.094 0.240 0.000 1.138 565 V CA -0.727 61.654 62.300 0.135 0.000 1.007 565 V CB 1.650 33.391 31.823 -0.137 0.000 1.045 565 V HN 0.888 nan 8.190 nan 0.000 0.432 566 A N 2.425 125.445 122.820 0.333 0.000 2.393 566 A HA 0.840 5.160 4.320 -0.000 0.000 0.306 566 A C -0.318 177.438 177.584 0.287 0.000 1.050 566 A CA -0.600 51.609 52.037 0.287 0.000 0.724 566 A CB 1.264 20.453 19.000 0.316 0.000 1.248 566 A HN 1.444 nan 8.150 nan 0.000 0.424 567 N N 1.337 120.185 118.700 0.245 0.000 2.294 567 N HA 0.356 5.096 4.740 -0.000 0.000 0.248 567 N C 1.117 176.634 175.510 0.012 0.000 1.300 567 N CA 0.162 53.342 53.050 0.216 0.000 0.925 567 N CB 0.326 38.950 38.487 0.227 0.000 1.188 567 N HN 0.702 nan 8.380 nan 0.000 0.512 568 A N -0.845 121.920 122.820 -0.092 0.000 2.076 568 A HA 0.007 4.327 4.320 -0.000 0.000 0.220 568 A C 1.984 179.531 177.584 -0.061 0.000 1.160 568 A CA 1.814 53.762 52.037 -0.149 0.000 0.653 568 A CB -1.321 17.569 19.000 -0.184 0.000 0.801 568 A HN 0.867 nan 8.150 nan 0.000 0.455 569 A N -2.126 120.688 122.820 -0.010 0.000 2.208 569 A HA 0.415 4.735 4.320 -0.000 0.000 0.209 569 A C 1.775 179.371 177.584 0.021 0.000 1.161 569 A CA 1.219 53.260 52.037 0.006 0.000 0.782 569 A CB -0.654 18.358 19.000 0.020 0.000 0.816 569 A HN 1.830 nan 8.150 nan 0.000 0.477 570 G N -1.661 107.161 108.800 0.036 0.000 2.159 570 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.227 570 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.227 570 G C 0.272 175.215 174.900 0.071 0.000 0.986 570 G CA 0.224 45.359 45.100 0.058 0.000 0.651 570 G HN 0.555 nan 8.290 nan 0.000 0.523 571 T N 1.779 116.379 114.554 0.078 0.000 2.761 571 T HA 0.617 4.967 4.350 -0.000 0.000 0.296 571 T C 0.810 175.568 174.700 0.097 0.000 0.934 571 T CA 0.589 62.733 62.100 0.075 0.000 1.091 571 T CB 1.490 70.400 68.868 0.070 0.000 0.896 571 T HN 1.244 nan 8.240 nan 0.000 0.515 572 A N 3.662 126.520 122.820 0.063 0.000 2.332 572 A HA 0.650 4.970 4.320 -0.000 0.000 0.258 572 A C 0.839 178.461 177.584 0.063 0.000 1.087 572 A CA -0.653 51.417 52.037 0.054 0.000 0.802 572 A CB 0.284 19.273 19.000 -0.019 0.000 1.042 572 A HN 0.876 nan 8.150 nan 0.000 0.489 573 S N 1.113 116.856 115.700 0.072 0.000 2.768 573 S HA 0.500 4.970 4.470 -0.000 0.000 0.300 573 S C 0.086 174.716 174.600 0.050 0.000 1.122 573 S CA -0.637 57.611 58.200 0.080 0.000 0.995 573 S CB 0.476 63.754 63.200 0.131 0.000 1.195 573 S HN 0.934 nan 8.310 nan 0.000 0.547 574 N N -0.137 118.599 118.700 0.060 0.000 2.399 574 N HA 0.213 4.953 4.740 -0.000 0.000 0.250 574 N C -0.642 174.914 175.510 0.077 0.000 1.272 574 N CA -0.465 52.619 53.050 0.058 0.000 0.928 574 N CB 0.126 38.654 38.487 0.069 0.000 1.158 574 N HN 0.446 nan 8.380 nan 0.000 0.463 575 V N 0.790 120.745 119.914 0.069 0.000 2.439 575 V HA 0.147 4.267 4.120 -0.000 0.000 0.282 575 V C -0.868 175.302 176.094 0.126 0.000 1.039 575 V CA -0.672 61.674 62.300 0.077 0.000 0.913 575 V CB 0.180 32.026 31.823 0.038 0.000 0.983 575 V HN 0.635 nan 8.190 nan 0.000 0.460 576 Y N 4.319 124.624 120.300 0.009 0.000 2.478 576 Y HA 0.360 4.910 4.550 0.000 0.000 0.329 576 Y C 0.526 176.447 175.900 0.035 0.000 0.967 576 Y CA -0.814 57.297 58.100 0.017 0.000 1.255 576 Y CB 0.487 38.943 38.460 -0.006 0.000 1.103 576 Y HN 0.737 nan 8.280 nan 0.000 0.497 577 D N 3.413 123.788 120.400 -0.043 0.000 2.414 577 D HA 0.012 4.652 4.640 -0.000 0.000 0.251 577 D C 0.242 176.575 176.300 0.055 0.000 1.252 577 D CA -0.057 53.953 54.000 0.017 0.000 0.999 577 D CB 0.515 41.296 40.800 -0.032 0.000 1.093 577 D HN 0.800 nan 8.370 nan 0.000 0.515 578 N N -0.931 117.822 118.700 0.088 0.000 2.776 578 N HA -0.227 4.513 4.740 -0.000 0.000 0.250 578 N C -0.826 174.778 175.510 0.156 0.000 1.112 578 N CA -0.226 52.877 53.050 0.088 0.000 0.733 578 N CB -0.994 37.506 38.487 0.021 0.000 1.097 578 N HN 0.300 nan 8.380 nan 0.000 0.558 579 F N 2.159 122.197 119.950 0.147 0.000 2.456 579 F HA 0.266 4.793 4.527 -0.000 0.000 0.358 579 F C 0.560 176.490 175.800 0.216 0.000 1.095 579 F CA 0.133 58.245 58.000 0.187 0.000 1.216 579 F CB 0.793 39.924 39.000 0.218 0.000 1.125 579 F HN -0.002 nan 8.300 nan 0.000 0.549 580 E N 5.578 125.404 120.200 -0.625 0.000 2.092 580 E HA 0.320 4.670 4.350 -0.000 0.000 0.271 580 E C -1.428 175.046 176.600 -0.210 0.000 0.919 580 E CA -0.688 55.562 56.400 -0.251 0.000 0.760 580 E CB 1.385 30.964 29.700 -0.202 0.000 1.106 580 E HN 0.465 nan 8.360 nan 0.000 0.408 581 V N 6.494 126.553 119.914 0.241 0.000 2.385 581 V HA 0.188 4.308 4.120 -0.000 0.000 0.269 581 V C 0.581 176.756 176.094 0.135 0.000 1.043 581 V CA -0.350 62.109 62.300 0.264 0.000 0.906 581 V CB 0.569 32.563 31.823 0.284 0.000 0.995 581 V HN 0.624 nan 8.190 nan 0.000 0.467 582 L N 3.552 124.813 121.223 0.065 0.000 2.466 582 L HA 0.258 4.598 4.340 -0.000 0.000 0.257 582 L C 1.495 178.391 176.870 0.043 0.000 1.189 582 L CA -0.090 54.771 54.840 0.036 0.000 0.813 582 L CB 0.598 42.661 42.059 0.008 0.000 1.118 582 L HN 0.606 nan 8.230 nan 0.000 0.471 583 S N -0.102 115.617 115.700 0.032 0.000 2.562 583 S HA 0.251 4.721 4.470 -0.000 0.000 0.221 583 S C 0.524 175.134 174.600 0.016 0.000 0.975 583 S CA 0.513 58.730 58.200 0.028 0.000 0.918 583 S CB 0.089 63.303 63.200 0.023 0.000 0.772 583 S HN 0.948 nan 8.310 nan 0.000 0.531 584 G N 0.707 109.514 108.800 0.012 0.000 2.350 584 G HA2 0.122 4.082 3.960 -0.000 0.000 0.276 584 G HA3 0.122 4.082 3.960 -0.000 0.000 0.276 584 G C -2.243 172.660 174.900 0.004 0.000 1.313 584 G CA -1.024 44.080 45.100 0.007 0.000 0.903 584 G HN 0.056 nan 8.290 nan 0.000 0.490 585 D N 1.051 121.452 120.400 0.002 0.000 2.449 585 D HA 0.319 4.959 4.640 -0.000 0.000 0.236 585 D C 0.238 176.539 176.300 0.002 0.000 1.149 585 D CA 0.605 54.604 54.000 -0.002 0.000 0.878 585 D CB 0.656 41.455 40.800 -0.002 0.000 1.198 585 D HN 0.309 nan 8.370 nan 0.000 0.446 586 Q N 0.350 120.147 119.800 -0.004 0.000 2.306 586 Q HA 0.563 4.903 4.340 -0.000 0.000 0.265 586 Q C -0.295 175.719 176.000 0.023 0.000 1.022 586 Q CA -0.978 54.830 55.803 0.009 0.000 0.853 586 Q CB 2.263 30.995 28.738 -0.009 0.000 1.327 586 Q HN 0.323 nan 8.270 nan 0.000 0.449 587 V N -1.956 117.994 119.914 0.060 0.000 2.914 587 V HA 0.683 4.803 4.120 -0.000 0.000 0.314 587 V C -0.275 175.900 176.094 0.135 0.000 1.084 587 V CA -0.961 61.396 62.300 0.095 0.000 0.963 587 V CB 1.985 33.870 31.823 0.104 0.000 1.025 587 V HN 0.690 nan 8.190 nan 0.000 0.432 588 S N 2.098 117.906 115.700 0.181 0.000 2.410 588 S HA 0.692 5.162 4.470 -0.000 0.000 0.304 588 S C -0.585 174.150 174.600 0.224 0.000 1.095 588 S CA -0.358 57.986 58.200 0.240 0.000 1.089 588 S CB 0.446 63.878 63.200 0.386 0.000 0.968 588 S HN 0.835 nan 8.310 nan 0.000 0.480 589 V N 6.340 126.382 119.914 0.214 0.000 2.495 589 V HA 0.525 4.645 4.120 -0.000 0.000 0.298 589 V C 0.258 176.423 176.094 0.117 0.000 1.031 589 V CA -0.997 61.365 62.300 0.103 0.000 0.871 589 V CB 1.677 33.504 31.823 0.006 0.000 0.988 589 V HN 0.847 nan 8.190 nan 0.000 0.432 590 R N 3.359 123.867 120.500 0.013 0.000 2.254 590 R HA 0.495 4.834 4.340 -0.000 0.000 0.318 590 R C -1.591 174.651 176.300 -0.096 0.000 1.031 590 R CA -0.292 55.864 56.100 0.093 0.000 0.905 590 R CB 0.524 30.902 30.300 0.131 0.000 1.050 590 R HN 0.518 nan 8.270 nan 0.000 0.456 591 F N 4.015 123.986 119.950 0.034 0.000 2.427 591 F HA 0.366 4.893 4.527 -0.000 0.000 0.346 591 F C -0.337 175.501 175.800 0.062 0.000 1.120 591 F CA -0.649 57.362 58.000 0.019 0.000 1.033 591 F CB 2.072 41.117 39.000 0.075 0.000 1.126 591 F HN 0.113 nan 8.300 nan 0.000 0.462 592 V N 4.740 124.706 119.914 0.087 0.000 2.443 592 V HA 0.441 4.561 4.120 -0.000 0.000 0.293 592 V C -0.831 175.173 176.094 -0.151 0.000 1.021 592 V CA -0.888 61.343 62.300 -0.115 0.000 0.848 592 V CB 1.753 33.337 31.823 -0.397 0.000 0.998 592 V HN 0.517 nan 8.190 nan 0.000 0.424 593 V N 6.094 125.848 119.914 -0.267 0.000 2.417 593 V HA 0.595 4.714 4.120 -0.000 0.000 0.291 593 V C -0.341 175.666 176.094 -0.145 0.000 1.024 593 V CA -0.394 61.656 62.300 -0.417 0.000 0.861 593 V CB 1.713 32.885 31.823 -1.086 0.000 0.985 593 V HN 0.922 nan 8.190 nan 0.000 0.436 594 N N 4.796 123.454 118.700 -0.070 0.000 2.492 594 N HA 0.297 5.037 4.740 -0.000 0.000 0.289 594 N C 0.044 175.579 175.510 0.040 0.000 1.133 594 N CA -0.342 52.706 53.050 -0.003 0.000 0.961 594 N CB 0.913 39.403 38.487 0.006 0.000 1.186 594 N HN 0.808 nan 8.380 nan 0.000 0.493 595 N N -0.097 118.605 118.700 0.003 0.000 2.696 595 N HA -0.229 4.510 4.740 -0.000 0.000 0.256 595 N C -1.482 173.986 175.510 -0.070 0.000 1.031 595 N CA 0.434 53.467 53.050 -0.028 0.000 0.730 595 N CB -0.860 37.638 38.487 0.019 0.000 0.894 595 N HN 0.681 nan 8.380 nan 0.000 0.544 596 A N 0.948 123.687 122.820 -0.135 0.000 2.508 596 A HA 0.524 4.844 4.320 -0.000 0.000 0.336 596 A C 0.634 178.066 177.584 -0.253 0.000 1.360 596 A CA 0.015 51.812 52.037 -0.400 0.000 0.841 596 A CB 0.115 18.817 19.000 -0.496 0.000 1.136 596 A HN 0.526 nan 8.150 nan 0.000 0.489 597 T N 0.410 114.796 114.554 -0.280 0.000 2.913 597 T HA 0.636 4.986 4.350 -0.000 0.000 0.297 597 T C 0.321 175.025 174.700 0.008 0.000 1.029 597 T CA 0.339 62.408 62.100 -0.050 0.000 1.104 597 T CB 0.991 69.845 68.868 -0.024 0.000 0.964 597 T HN 1.078 nan 8.240 nan 0.000 0.532 598 T N -1.188 113.527 114.554 0.269 0.000 2.816 598 T HA 0.762 5.112 4.350 -0.000 0.000 0.299 598 T C -0.449 174.340 174.700 0.147 0.000 1.230 598 T CA -0.869 61.327 62.100 0.160 0.000 1.007 598 T CB 1.300 70.306 68.868 0.230 0.000 1.289 598 T HN 1.093 nan 8.240 nan 0.000 0.508 599 A N 1.015 123.883 122.820 0.080 0.000 2.282 599 A HA 0.739 5.059 4.320 -0.000 0.000 0.319 599 A C 0.219 177.830 177.584 0.046 0.000 1.121 599 A CA -0.980 51.089 52.037 0.052 0.000 0.836 599 A CB 0.180 19.202 19.000 0.037 0.000 1.146 599 A HN 0.951 nan 8.150 nan 0.000 0.494 600 L N 1.343 122.576 121.223 0.017 0.000 2.601 600 L HA 0.254 4.594 4.340 -0.000 0.000 0.277 600 L C 1.517 178.405 176.870 0.031 0.000 1.219 600 L CA 1.673 56.517 54.840 0.008 0.000 0.915 600 L CB 0.055 42.107 42.059 -0.011 0.000 1.160 600 L HN 1.266 nan 8.230 nan 0.000 0.494 601 G N 2.327 111.156 108.800 0.048 0.000 2.213 601 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.236 601 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.236 601 G C 0.149 175.099 174.900 0.083 0.000 0.991 601 G CA 0.107 45.243 45.100 0.061 0.000 0.629 601 G HN 0.584 nan 8.290 nan 0.000 0.517 602 Q N 0.816 120.669 119.800 0.089 0.000 2.257 602 Q HA 0.579 4.919 4.340 -0.000 0.000 0.255 602 Q C -0.502 175.569 176.000 0.118 0.000 0.920 602 Q CA -0.684 55.170 55.803 0.085 0.000 0.927 602 Q CB 0.527 29.294 28.738 0.048 0.000 1.229 602 Q HN 0.410 nan 8.270 nan 0.000 0.433 603 N N 1.752 120.507 118.700 0.093 0.000 2.380 603 N HA 0.426 5.166 4.740 -0.000 0.000 0.290 603 N C -1.317 174.022 175.510 -0.286 0.000 1.236 603 N CA -0.499 52.522 53.050 -0.047 0.000 0.780 603 N CB 2.087 40.591 38.487 0.029 0.000 1.438 603 N HN 0.303 nan 8.380 nan 0.000 0.491 604 V N 1.776 121.170 119.914 -0.867 0.000 2.481 604 V HA 0.428 4.548 4.120 -0.000 0.000 0.286 604 V C -0.972 174.881 176.094 -0.401 0.000 1.042 604 V CA -0.210 61.676 62.300 -0.691 0.000 0.928 604 V CB 0.291 31.314 31.823 -1.334 0.000 0.986 604 V HN 0.515 nan 8.190 nan 0.000 0.462 605 Y N 3.427 123.623 120.300 -0.174 0.000 2.605 605 Y HA 0.736 5.286 4.550 -0.000 0.000 0.343 605 Y C -0.375 175.511 175.900 -0.023 0.000 1.036 605 Y CA -1.261 56.757 58.100 -0.137 0.000 1.065 605 Y CB 1.827 40.181 38.460 -0.177 0.000 1.288 605 Y HN 0.520 nan 8.280 nan 0.000 0.481 606 L N 0.981 122.218 121.223 0.024 0.000 2.341 606 L HA 0.826 5.166 4.340 -0.000 0.000 0.278 606 L C -0.502 176.225 176.870 -0.238 0.000 1.005 606 L CA 0.048 54.762 54.840 -0.209 0.000 0.818 606 L CB 1.854 43.695 42.059 -0.364 0.000 1.259 606 L HN 0.688 nan 8.230 nan 0.000 0.418 607 T N 2.878 117.275 114.554 -0.262 0.000 2.906 607 T HA 0.945 5.295 4.350 -0.000 0.000 0.295 607 T C -0.573 173.906 174.700 -0.369 0.000 1.061 607 T CA 0.019 61.989 62.100 -0.217 0.000 1.000 607 T CB 1.450 70.278 68.868 -0.067 0.000 1.103 607 T HN 1.077 nan 8.240 nan 0.000 0.486 608 G N 0.368 108.748 108.800 -0.699 0.000 2.495 608 G HA2 0.408 4.368 3.960 -0.000 0.000 0.294 608 G HA3 0.408 4.368 3.960 -0.000 0.000 0.294 608 G C 0.432 174.490 174.900 -1.403 0.000 1.397 608 G CA 0.118 44.527 45.100 -1.152 0.000 0.790 608 G HN 1.010 nan 8.290 nan 0.000 0.486 609 S N -1.543 113.571 115.700 -0.976 0.000 2.727 609 S HA 0.269 4.739 4.470 -0.000 0.000 0.226 609 S C 0.801 175.292 174.600 -0.181 0.000 0.963 609 S CA 0.808 58.763 58.200 -0.409 0.000 0.950 609 S CB -1.120 62.138 63.200 0.096 0.000 0.779 609 S HN 1.871 nan 8.310 nan 0.000 0.532 610 V N -3.572 116.217 119.914 -0.210 0.000 3.078 610 V HA 0.666 4.786 4.120 -0.000 0.000 0.311 610 V C 1.162 177.200 176.094 -0.092 0.000 1.138 610 V CA -0.387 61.857 62.300 -0.092 0.000 1.007 610 V CB 0.966 32.763 31.823 -0.043 0.000 1.045 610 V HN 0.096 nan 8.190 nan 0.000 0.432 611 S N 0.560 116.238 115.700 -0.036 0.000 2.374 611 S HA -0.211 4.259 4.470 -0.000 0.000 0.227 611 S C 1.546 176.124 174.600 -0.036 0.000 1.037 611 S CA 2.524 60.710 58.200 -0.023 0.000 1.024 611 S CB -0.408 62.802 63.200 0.017 0.000 0.861 611 S HN 0.977 nan 8.310 nan 0.000 0.456 612 E N 0.626 120.809 120.200 -0.028 0.000 2.267 612 E HA -0.003 4.347 4.350 -0.000 0.000 0.197 612 E C 1.328 177.894 176.600 -0.057 0.000 0.998 612 E CA 0.824 57.210 56.400 -0.023 0.000 0.830 612 E CB -0.112 29.591 29.700 0.005 0.000 0.751 612 E HN 0.521 nan 8.360 nan 0.000 0.491 613 L N -1.474 119.683 121.223 -0.109 0.000 2.857 613 L HA 0.314 4.654 4.340 -0.000 0.000 0.249 613 L C 1.049 177.815 176.870 -0.174 0.000 1.172 613 L CA 0.245 54.978 54.840 -0.179 0.000 0.980 613 L CB 0.306 42.204 42.059 -0.268 0.000 1.299 613 L HN 0.314 nan 8.230 nan 0.000 0.535 614 G N 0.271 109.002 108.800 -0.114 0.000 2.176 614 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.253 614 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.253 614 G C 0.457 175.316 174.900 -0.068 0.000 0.979 614 G CA 0.121 45.175 45.100 -0.076 0.000 0.641 614 G HN 0.417 nan 8.290 nan 0.000 0.530 615 N N -1.085 117.527 118.700 -0.147 0.000 2.714 615 N HA -0.232 4.508 4.740 -0.000 0.000 0.252 615 N C 0.926 176.466 175.510 0.050 0.000 1.014 615 N CA 1.938 54.913 53.050 -0.126 0.000 0.735 615 N CB -1.659 36.828 38.487 -0.000 0.000 0.924 615 N HN 1.305 nan 8.380 nan 0.000 0.540 616 W N -3.226 118.136 121.300 0.102 0.000 2.062 616 W HA -0.269 4.391 4.660 -0.000 0.000 0.257 616 W C 0.345 176.980 176.519 0.193 0.000 1.024 616 W CA 0.431 57.889 57.345 0.189 0.000 0.471 616 W CB -1.465 28.104 29.460 0.181 0.000 2.039 616 W HN 0.306 nan 8.180 nan 0.000 1.321 617 D N 0.776 121.321 120.400 0.242 0.000 2.380 617 D HA 0.192 4.832 4.640 -0.000 0.000 0.230 617 D C -0.721 175.623 176.300 0.073 0.000 1.154 617 D CA -2.161 51.938 54.000 0.165 0.000 0.859 617 D CB 1.196 42.052 40.800 0.093 0.000 1.045 617 D HN -0.209 nan 8.370 nan 0.000 0.495 618 P HA -0.181 nan 4.420 nan 0.000 0.217 618 P C 1.028 178.251 177.300 -0.128 0.000 1.148 618 P CA 1.299 64.337 63.100 -0.104 0.000 0.834 618 P CB 0.103 31.725 31.700 -0.130 0.000 0.783 619 A N -0.287 122.496 122.820 -0.062 0.000 2.070 619 A HA -0.156 4.164 4.320 -0.000 0.000 0.220 619 A C 1.831 179.383 177.584 -0.054 0.000 1.159 619 A CA 1.461 53.459 52.037 -0.065 0.000 0.656 619 A CB -0.857 18.127 19.000 -0.028 0.000 0.800 619 A HN 0.235 nan 8.150 nan 0.000 0.453 620 K N -0.269 120.107 120.400 -0.039 0.000 2.440 620 K HA 0.435 4.755 4.320 -0.000 0.000 0.206 620 K C 0.342 176.920 176.600 -0.036 0.000 1.025 620 K CA 0.132 56.403 56.287 -0.027 0.000 1.135 620 K CB 0.519 33.009 32.500 -0.017 0.000 0.856 620 K HN 0.399 nan 8.250 nan 0.000 0.502 621 A N 1.368 124.150 122.820 -0.063 0.000 2.466 621 A HA 0.188 4.508 4.320 -0.000 0.000 0.238 621 A C 0.171 177.775 177.584 0.032 0.000 1.074 621 A CA -0.177 51.828 52.037 -0.054 0.000 0.774 621 A CB 0.147 19.076 19.000 -0.119 0.000 1.015 621 A HN 0.138 nan 8.150 nan 0.000 0.498 622 I N 1.477 122.039 120.570 -0.012 0.000 2.395 622 I HA 0.586 4.756 4.170 -0.000 0.000 0.289 622 I C 0.979 176.981 176.117 -0.192 0.000 1.023 622 I CA 1.116 62.383 61.300 -0.055 0.000 1.350 622 I CB -0.360 37.587 38.000 -0.087 0.000 1.409 622 I HN 1.036 nan 8.210 nan 0.000 0.507 623 G N 8.008 116.579 108.800 -0.382 0.000 2.320 623 G HA2 0.109 4.069 3.960 -0.000 0.000 0.274 623 G HA3 0.109 4.069 3.960 -0.000 0.000 0.274 623 G C -3.207 171.376 174.900 -0.528 0.000 1.324 623 G CA -0.878 43.702 45.100 -0.868 0.000 0.957 623 G HN 0.387 nan 8.290 nan 0.000 0.481 624 P HA 0.374 nan 4.420 nan 0.000 0.269 624 P C 0.298 177.101 177.300 -0.829 0.000 1.209 624 P CA 0.052 62.521 63.100 -1.052 0.000 0.776 624 P CB 0.337 31.734 31.700 -0.505 0.000 0.876 625 M N 1.412 120.625 119.600 -0.646 0.000 2.157 625 M HA 0.185 4.665 4.480 -0.000 0.000 0.304 625 M C 0.098 176.421 176.300 0.037 0.000 1.171 625 M CA 0.180 55.252 55.300 -0.381 0.000 1.157 625 M CB 0.053 32.609 32.600 -0.073 0.000 1.403 625 M HN 0.252 nan 8.290 nan 0.000 0.473 626 Y N 1.151 121.414 120.300 -0.061 0.000 2.376 626 Y HA 0.270 4.820 4.550 -0.000 0.000 0.325 626 Y C 0.559 176.267 175.900 -0.320 0.000 1.199 626 Y CA -1.443 56.470 58.100 -0.311 0.000 1.206 626 Y CB 0.530 38.556 38.460 -0.722 0.000 1.229 626 Y HN 0.688 nan 8.280 nan 0.000 0.480 627 N N -1.331 117.309 118.700 -0.100 0.000 2.361 627 N HA 0.076 4.816 4.740 -0.000 0.000 0.253 627 N C -0.119 175.348 175.510 -0.072 0.000 1.413 627 N CA -0.082 52.841 53.050 -0.211 0.000 0.821 627 N CB 0.297 38.225 38.487 -0.931 0.000 1.380 627 N HN 0.443 nan 8.380 nan 0.000 0.493 628 Q N -0.232 119.589 119.800 0.035 0.000 2.631 628 Q HA 0.313 4.653 4.340 -0.000 0.000 0.220 628 Q C 1.536 177.530 176.000 -0.009 0.000 0.819 628 Q CA 0.881 56.674 55.803 -0.017 0.000 0.914 628 Q CB 0.309 29.006 28.738 -0.069 0.000 1.248 628 Q HN 0.162 nan 8.270 nan 0.000 0.629 629 V N 0.918 120.834 119.914 0.004 0.000 2.239 629 V HA -0.134 3.986 4.120 -0.000 0.000 0.236 629 V C 2.438 178.391 176.094 -0.235 0.000 1.040 629 V CA 1.637 63.883 62.300 -0.090 0.000 0.996 629 V CB -0.991 30.788 31.823 -0.074 0.000 0.640 629 V HN 0.020 nan 8.190 nan 0.000 0.456 630 V N -1.667 117.969 119.914 -0.464 0.000 2.295 630 V HA -0.148 3.972 4.120 -0.000 0.000 0.246 630 V C 0.845 176.408 176.094 -0.885 0.000 1.049 630 V CA 1.616 63.425 62.300 -0.819 0.000 1.024 630 V CB -0.634 30.446 31.823 -1.238 0.000 0.648 630 V HN 0.495 nan 8.190 nan 0.000 0.447 631 Y N -1.436 118.549 120.300 -0.526 0.000 2.562 631 Y HA 0.686 5.236 4.550 -0.000 0.000 0.343 631 Y C -0.111 175.763 175.900 -0.044 0.000 1.025 631 Y CA -1.214 56.762 58.100 -0.208 0.000 1.082 631 Y CB 1.466 39.856 38.460 -0.116 0.000 1.264 631 Y HN 0.021 nan 8.280 nan 0.000 0.478 632 Q N 0.670 120.530 119.800 0.099 0.000 2.309 632 Q HA 0.297 4.637 4.340 -0.000 0.000 0.264 632 Q C -1.361 174.637 176.000 -0.002 0.000 1.008 632 Q CA -0.938 54.884 55.803 0.032 0.000 0.853 632 Q CB 1.535 30.274 28.738 0.002 0.000 1.314 632 Q HN 0.582 nan 8.270 nan 0.000 0.448 633 Y N 4.241 124.409 120.300 -0.220 0.000 2.805 633 Y HA 0.018 4.568 4.550 -0.000 0.000 0.337 633 Y C -1.303 174.526 175.900 -0.117 0.000 1.252 633 Y CA -0.791 57.122 58.100 -0.312 0.000 1.515 633 Y CB 0.703 38.942 38.460 -0.368 0.000 1.305 633 Y HN 0.580 nan 8.280 nan 0.000 0.600 634 P HA 0.046 nan 4.420 nan 0.000 0.256 634 P C -1.122 176.007 177.300 -0.286 0.000 1.335 634 P CA 0.369 62.825 63.100 -1.072 0.000 0.808 634 P CB -0.032 31.204 31.700 -0.774 0.000 1.305 635 N N 0.558 119.158 118.700 -0.168 0.000 2.456 635 N HA 0.252 4.992 4.740 -0.000 0.000 0.288 635 N C -0.720 174.832 175.510 0.070 0.000 1.059 635 N CA -0.054 53.017 53.050 0.035 0.000 0.946 635 N CB 0.590 39.105 38.487 0.046 0.000 1.150 635 N HN 0.013 nan 8.380 nan 0.000 0.479 636 W N 1.706 122.981 121.300 -0.041 0.000 2.781 636 W HA 0.490 5.150 4.660 -0.000 0.000 0.345 636 W C -0.359 176.193 176.519 0.056 0.000 1.085 636 W CA -0.774 56.589 57.345 0.031 0.000 1.198 636 W CB 0.463 29.892 29.460 -0.053 0.000 1.423 636 W HN 0.429 nan 8.180 nan 0.000 0.532 637 Y N -0.300 120.134 120.300 0.224 0.000 2.597 637 Y HA 0.811 5.361 4.550 -0.000 0.000 0.340 637 Y C -2.045 174.042 175.900 0.312 0.000 1.097 637 Y CA -2.529 55.663 58.100 0.153 0.000 1.037 637 Y CB 1.669 40.146 38.460 0.028 0.000 1.305 637 Y HN 0.474 nan 8.280 nan 0.000 0.463 638 Y N 0.764 121.145 120.300 0.135 0.000 2.521 638 Y HA 0.360 4.910 4.550 -0.000 0.000 0.326 638 Y C -1.866 174.174 175.900 0.233 0.000 1.176 638 Y CA -1.396 56.719 58.100 0.025 0.000 1.079 638 Y CB 1.798 40.186 38.460 -0.121 0.000 1.341 638 Y HN 0.799 nan 8.280 nan 0.000 0.456 639 D N 3.908 124.265 120.400 -0.071 0.000 2.232 639 D HA 0.590 5.230 4.640 -0.000 0.000 0.242 639 D C -0.922 175.461 176.300 0.137 0.000 1.093 639 D CA 0.010 54.089 54.000 0.131 0.000 0.845 639 D CB 2.015 42.935 40.800 0.200 0.000 1.124 639 D HN 0.219 nan 8.370 nan 0.000 0.467 640 V N 0.800 120.878 119.914 0.274 0.000 2.789 640 V HA 0.334 4.454 4.120 -0.000 0.000 0.311 640 V C 0.135 176.368 176.094 0.231 0.000 1.073 640 V CA -0.987 61.462 62.300 0.247 0.000 0.921 640 V CB 2.142 34.101 31.823 0.226 0.000 1.009 640 V HN 0.494 nan 8.190 nan 0.000 0.426 641 S N 3.075 118.871 115.700 0.161 0.000 2.439 641 S HA 0.643 5.112 4.470 -0.000 0.000 0.282 641 S C -0.425 174.244 174.600 0.115 0.000 1.170 641 S CA -0.360 57.911 58.200 0.118 0.000 1.054 641 S CB 0.309 63.543 63.200 0.056 0.000 0.956 641 S HN 1.101 nan 8.310 nan 0.000 0.490 642 V N 2.851 122.848 119.914 0.138 0.000 3.141 642 V HA 0.822 4.942 4.120 -0.000 0.000 0.312 642 V C -2.935 173.210 176.094 0.085 0.000 1.157 642 V CA -2.987 59.392 62.300 0.131 0.000 1.041 642 V CB 1.530 33.497 31.823 0.239 0.000 1.071 642 V HN 0.605 nan 8.190 nan 0.000 0.441 643 P HA 0.338 nan 4.420 nan 0.000 0.276 643 P C -0.081 177.228 177.300 0.015 0.000 1.243 643 P CA 0.322 63.437 63.100 0.025 0.000 0.768 643 P CB 0.644 32.349 31.700 0.009 0.000 0.856 644 A N 3.685 126.515 122.820 0.017 0.000 2.540 644 A HA 0.389 4.709 4.320 -0.000 0.000 0.239 644 A C 1.626 179.205 177.584 -0.010 0.000 1.061 644 A CA 0.689 52.734 52.037 0.013 0.000 0.758 644 A CB -1.295 17.715 19.000 0.016 0.000 0.991 644 A HN 0.861 nan 8.150 nan 0.000 0.502 645 G N 1.474 110.263 108.800 -0.019 0.000 2.200 645 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.267 645 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.267 645 G C 0.233 175.095 174.900 -0.063 0.000 0.993 645 G CA 0.993 46.072 45.100 -0.034 0.000 0.701 645 G HN 0.940 nan 8.290 nan 0.000 0.524 646 K N 0.339 120.684 120.400 -0.092 0.000 2.110 646 K HA 0.510 4.830 4.320 -0.000 0.000 0.263 646 K C -0.304 176.179 176.600 -0.194 0.000 0.975 646 K CA -0.548 55.676 56.287 -0.104 0.000 0.895 646 K CB 1.268 33.727 32.500 -0.068 0.000 1.060 646 K HN 0.035 nan 8.250 nan 0.000 0.448 647 T N 3.108 117.582 114.554 -0.133 0.000 2.729 647 T HA 0.368 4.718 4.350 -0.000 0.000 0.296 647 T C 0.254 174.895 174.700 -0.098 0.000 0.928 647 T CA -0.337 61.678 62.100 -0.142 0.000 1.045 647 T CB -0.096 68.745 68.868 -0.046 0.000 0.902 647 T HN 0.340 nan 8.240 nan 0.000 0.500 648 I N 2.726 123.206 120.570 -0.150 0.000 2.569 648 I HA 0.391 4.561 4.170 -0.000 0.000 0.296 648 I C 0.301 176.632 176.117 0.357 0.000 1.028 648 I CA -0.904 60.435 61.300 0.065 0.000 1.082 648 I CB 2.255 40.285 38.000 0.050 0.000 1.264 648 I HN 0.458 nan 8.210 nan 0.000 0.429 649 E N 5.324 125.728 120.200 0.340 0.000 2.191 649 E HA 0.618 4.968 4.350 -0.000 0.000 0.278 649 E C -1.431 175.438 176.600 0.448 0.000 0.972 649 E CA -0.521 56.139 56.400 0.434 0.000 0.804 649 E CB 2.007 31.968 29.700 0.436 0.000 1.110 649 E HN 0.414 nan 8.360 nan 0.000 0.394 650 F N -0.075 120.058 119.950 0.304 0.000 2.686 650 F HA 0.662 5.189 4.527 -0.000 0.000 0.311 650 F C -1.150 174.822 175.800 0.287 0.000 1.128 650 F CA -1.092 56.977 58.000 0.115 0.000 0.946 650 F CB 1.370 40.347 39.000 -0.038 0.000 1.336 650 F HN 0.121 nan 8.300 nan 0.000 0.457 651 K N 0.819 121.367 120.400 0.248 0.000 2.533 651 K HA 0.635 4.955 4.320 -0.000 0.000 0.272 651 K C -2.050 174.479 176.600 -0.119 0.000 0.985 651 K CA -0.800 55.595 56.287 0.180 0.000 0.876 651 K CB 2.797 35.551 32.500 0.423 0.000 1.452 651 K HN 0.587 nan 8.250 nan 0.000 0.439 652 F N 1.232 121.307 119.950 0.209 0.000 2.483 652 F HA 0.576 5.103 4.527 -0.000 0.000 0.329 652 F C -0.025 175.871 175.800 0.161 0.000 1.064 652 F CA -0.726 57.392 58.000 0.197 0.000 0.986 652 F CB 1.090 40.292 39.000 0.337 0.000 1.218 652 F HN 0.093 nan 8.300 nan 0.000 0.484 653 L N 0.904 122.331 121.223 0.341 0.000 2.376 653 L HA 0.598 4.938 4.340 -0.000 0.000 0.258 653 L C -1.157 175.816 176.870 0.171 0.000 1.013 653 L CA -1.123 53.810 54.840 0.157 0.000 0.822 653 L CB 2.422 44.323 42.059 -0.263 0.000 1.388 653 L HN 0.437 nan 8.230 nan 0.000 0.413 654 K N 1.767 122.215 120.400 0.079 0.000 2.358 654 K HA 0.586 4.906 4.320 -0.000 0.000 0.260 654 K C -1.362 175.212 176.600 -0.043 0.000 0.956 654 K CA -0.746 55.512 56.287 -0.048 0.000 0.834 654 K CB 1.982 34.392 32.500 -0.149 0.000 1.102 654 K HN 0.430 nan 8.250 nan 0.000 0.431 655 K N 2.372 122.766 120.400 -0.011 0.000 2.426 655 K HA 0.313 4.633 4.320 -0.000 0.000 0.251 655 K C -0.936 175.672 176.600 0.013 0.000 0.941 655 K CA -0.921 55.319 56.287 -0.079 0.000 0.808 655 K CB 2.613 34.905 32.500 -0.346 0.000 1.265 655 K HN 0.389 nan 8.250 nan 0.000 0.432 656 Q N 1.011 120.803 119.800 -0.013 0.000 2.401 656 Q HA 0.333 4.673 4.340 -0.000 0.000 0.260 656 Q C 0.106 176.103 176.000 -0.004 0.000 1.034 656 Q CA -0.035 55.778 55.803 0.016 0.000 0.737 656 Q CB 1.691 30.440 28.738 0.017 0.000 1.227 656 Q HN 0.919 nan 8.270 nan 0.000 0.488 657 G N 1.563 110.367 108.800 0.007 0.000 2.583 657 G HA2 -0.388 3.572 3.960 -0.000 0.000 0.292 657 G HA3 -0.388 3.572 3.960 -0.000 0.000 0.292 657 G C 0.616 175.480 174.900 -0.060 0.000 1.203 657 G CA 0.407 45.501 45.100 -0.009 0.000 0.987 657 G HN 0.854 nan 8.290 nan 0.000 0.554 658 S N -0.688 114.980 115.700 -0.054 0.000 2.575 658 S HA 0.390 4.860 4.470 -0.000 0.000 0.215 658 S C 0.878 175.436 174.600 -0.071 0.000 0.966 658 S CA 1.231 59.384 58.200 -0.079 0.000 0.911 658 S CB 0.141 63.310 63.200 -0.051 0.000 0.780 658 S HN 0.971 nan 8.310 nan 0.000 0.514 659 T N 2.642 117.165 114.554 -0.052 0.000 2.814 659 T HA 0.453 4.803 4.350 -0.000 0.000 0.297 659 T C -0.463 174.203 174.700 -0.058 0.000 0.956 659 T CA -0.140 61.942 62.100 -0.031 0.000 1.123 659 T CB 1.288 70.151 68.868 -0.008 0.000 0.902 659 T HN 0.286 nan 8.240 nan 0.000 0.528 660 V N 3.935 123.825 119.914 -0.039 0.000 2.735 660 V HA 0.680 4.800 4.120 -0.000 0.000 0.310 660 V C -0.556 175.541 176.094 0.005 0.000 1.061 660 V CA -0.414 61.837 62.300 -0.083 0.000 0.913 660 V CB 2.462 34.175 31.823 -0.184 0.000 1.005 660 V HN 0.907 nan 8.190 nan 0.000 0.428 661 T N 6.659 121.214 114.554 0.001 0.000 2.791 661 T HA 0.438 4.788 4.350 -0.000 0.000 0.288 661 T C -0.944 173.865 174.700 0.182 0.000 0.999 661 T CA 0.033 62.216 62.100 0.139 0.000 0.952 661 T CB 0.586 69.546 68.868 0.153 0.000 0.938 661 T HN 0.700 nan 8.240 nan 0.000 0.444 662 W N 2.291 123.679 121.300 0.146 0.000 2.261 662 W HA 0.339 4.999 4.660 -0.000 0.000 0.323 662 W C 0.960 177.493 176.519 0.022 0.000 1.243 662 W CA -0.675 56.728 57.345 0.096 0.000 1.210 662 W CB 0.459 29.922 29.460 0.006 0.000 1.149 662 W HN 0.600 nan 8.180 nan 0.000 0.562 663 E N 1.613 121.820 120.200 0.012 0.000 2.392 663 E HA 0.247 4.597 4.350 -0.000 0.000 0.264 663 E C 0.775 177.223 176.600 -0.253 0.000 1.024 663 E CA -0.006 55.992 56.400 -0.670 0.000 0.903 663 E CB 0.615 29.814 29.700 -0.836 0.000 0.963 663 E HN 0.621 nan 8.360 nan 0.000 0.432 664 G N 2.097 110.715 108.800 -0.303 0.000 2.516 664 G HA2 0.464 4.424 3.960 -0.000 0.000 0.276 664 G HA3 0.464 4.424 3.960 -0.000 0.000 0.276 664 G C 0.445 175.227 174.900 -0.196 0.000 1.390 664 G CA -0.045 44.960 45.100 -0.158 0.000 1.050 664 G HN 0.932 nan 8.290 nan 0.000 0.519 665 G N -1.169 107.540 108.800 -0.152 0.000 2.578 665 G HA2 -0.089 3.871 3.960 -0.000 0.000 0.275 665 G HA3 -0.089 3.871 3.960 -0.000 0.000 0.275 665 G C 0.419 175.201 174.900 -0.196 0.000 1.271 665 G CA 0.323 45.327 45.100 -0.160 0.000 0.941 665 G HN 1.380 nan 8.290 nan 0.000 0.564 666 S N 0.797 116.371 115.700 -0.210 0.000 2.672 666 S HA 0.531 5.001 4.470 -0.000 0.000 0.276 666 S C 0.528 174.943 174.600 -0.308 0.000 1.207 666 S CA -0.662 57.406 58.200 -0.219 0.000 1.002 666 S CB 0.954 64.057 63.200 -0.162 0.000 0.998 666 S HN 0.700 nan 8.310 nan 0.000 0.542 667 N N 1.989 120.548 118.700 -0.235 0.000 2.453 667 N HA 0.110 4.850 4.740 -0.000 0.000 0.253 667 N C -0.127 175.188 175.510 -0.325 0.000 1.252 667 N CA 0.221 53.143 53.050 -0.213 0.000 0.917 667 N CB 0.109 38.610 38.487 0.024 0.000 1.117 667 N HN 0.540 nan 8.380 nan 0.000 0.442 668 H N 0.169 119.030 119.070 -0.348 0.000 2.546 668 H HA 0.362 4.918 4.556 -0.000 0.000 0.365 668 H C 0.012 175.184 175.328 -0.259 0.000 1.220 668 H CA 0.336 56.085 56.048 -0.498 0.000 1.386 668 H CB 0.910 29.956 29.762 -1.194 0.000 1.510 668 H HN 0.331 nan 8.280 nan 0.000 0.591 669 T N 2.287 116.964 114.554 0.206 0.000 2.916 669 T HA 0.444 4.794 4.350 -0.000 0.000 0.305 669 T C -1.074 173.988 174.700 0.603 0.000 1.119 669 T CA -0.711 61.630 62.100 0.401 0.000 1.008 669 T CB 1.280 70.281 68.868 0.222 0.000 1.129 669 T HN 0.518 nan 8.240 nan 0.000 0.480 670 F N -0.670 119.489 119.950 0.349 0.000 2.713 670 F HA 0.766 5.293 4.527 -0.000 0.000 0.311 670 F C -1.534 174.359 175.800 0.156 0.000 1.141 670 F CA -0.880 57.263 58.000 0.238 0.000 0.939 670 F CB 0.944 40.084 39.000 0.233 0.000 1.325 670 F HN 0.404 nan 8.300 nan 0.000 0.453 671 T N 2.584 116.991 114.554 -0.244 0.000 2.786 671 T HA 0.754 5.104 4.350 -0.000 0.000 0.283 671 T C -0.137 174.354 174.700 -0.349 0.000 0.992 671 T CA -0.215 61.666 62.100 -0.365 0.000 0.954 671 T CB 1.142 69.945 68.868 -0.109 0.000 0.934 671 T HN 0.947 nan 8.240 nan 0.000 0.440 672 A N 5.776 128.303 122.820 -0.489 0.000 2.462 672 A HA 0.534 4.854 4.320 -0.000 0.000 0.243 672 A C -2.063 175.521 177.584 -0.001 0.000 1.076 672 A CA -1.131 50.832 52.037 -0.123 0.000 0.773 672 A CB -0.359 18.589 19.000 -0.087 0.000 1.010 672 A HN 0.502 nan 8.150 nan 0.000 0.493 673 P HA 0.038 nan 4.420 nan 0.000 0.268 673 P C 0.853 178.179 177.300 0.042 0.000 1.208 673 P CA 0.360 63.497 63.100 0.062 0.000 0.777 673 P CB 0.649 32.398 31.700 0.082 0.000 0.875 674 S N 0.238 115.958 115.700 0.033 0.000 2.436 674 S HA 0.044 4.514 4.470 -0.000 0.000 0.228 674 S C 0.760 175.378 174.600 0.030 0.000 1.014 674 S CA 0.727 58.942 58.200 0.024 0.000 0.950 674 S CB -0.560 62.651 63.200 0.018 0.000 0.784 674 S HN 0.763 nan 8.310 nan 0.000 0.504 675 S N -1.292 114.434 115.700 0.043 0.000 2.587 675 S HA 0.655 5.125 4.470 -0.000 0.000 0.269 675 S C 0.136 174.777 174.600 0.069 0.000 1.154 675 S CA -0.268 57.962 58.200 0.050 0.000 0.824 675 S CB 0.831 64.054 63.200 0.037 0.000 1.118 675 S HN 1.792 nan 8.310 nan 0.000 0.462 676 G N 1.019 109.872 108.800 0.087 0.000 2.698 676 G HA2 0.173 4.133 3.960 -0.000 0.000 0.233 676 G HA3 0.173 4.133 3.960 -0.000 0.000 0.233 676 G C 0.054 175.028 174.900 0.123 0.000 1.352 676 G CA 0.465 45.630 45.100 0.107 0.000 0.879 676 G HN 2.311 nan 8.290 nan 0.000 0.567 677 T N -2.409 112.217 114.554 0.120 0.000 2.922 677 T HA 1.029 5.379 4.350 -0.000 0.000 0.281 677 T C 0.204 174.956 174.700 0.087 0.000 1.005 677 T CA 0.553 62.727 62.100 0.124 0.000 0.982 677 T CB 1.844 70.793 68.868 0.136 0.000 1.158 677 T HN 2.662 nan 8.240 nan 0.000 0.566 678 A N -0.061 122.801 122.820 0.069 0.000 2.608 678 A HA 0.681 5.001 4.320 -0.000 0.000 0.292 678 A C -0.773 176.788 177.584 -0.040 0.000 1.066 678 A CA -0.938 51.115 52.037 0.025 0.000 0.676 678 A CB 1.214 20.242 19.000 0.046 0.000 1.277 678 A HN 0.902 nan 8.150 nan 0.000 0.413 679 T N 2.169 116.678 114.554 -0.074 0.000 2.881 679 T HA 0.540 4.890 4.350 -0.000 0.000 0.291 679 T C -0.704 173.871 174.700 -0.208 0.000 0.990 679 T CA -0.269 61.755 62.100 -0.127 0.000 0.976 679 T CB 0.661 69.512 68.868 -0.027 0.000 0.970 679 T HN 0.460 nan 8.240 nan 0.000 0.438 680 I N 3.914 124.242 120.570 -0.404 0.000 2.339 680 I HA 0.430 4.600 4.170 -0.000 0.000 0.290 680 I C 0.077 176.073 176.117 -0.202 0.000 0.994 680 I CA -0.769 60.289 61.300 -0.403 0.000 1.191 680 I CB 1.136 38.605 38.000 -0.885 0.000 1.343 680 I HN 0.518 nan 8.210 nan 0.000 0.458 681 N N 6.529 125.180 118.700 -0.081 0.000 2.399 681 N HA 0.610 5.350 4.740 -0.000 0.000 0.280 681 N C -0.972 174.539 175.510 0.003 0.000 1.008 681 N CA -0.182 52.840 53.050 -0.046 0.000 0.894 681 N CB 2.349 40.808 38.487 -0.047 0.000 1.273 681 N HN 0.491 nan 8.380 nan 0.000 0.486 682 V N 1.006 120.917 119.914 -0.005 0.000 3.167 682 V HA 0.694 4.814 4.120 -0.000 0.000 0.310 682 V C -0.695 175.390 176.094 -0.015 0.000 1.207 682 V CA -1.042 61.250 62.300 -0.012 0.000 1.059 682 V CB 2.117 33.854 31.823 -0.144 0.000 1.079 682 V HN 0.483 nan 8.190 nan 0.000 0.446 683 N N 1.825 120.558 118.700 0.056 0.000 2.443 683 N HA 0.242 4.982 4.740 -0.000 0.000 0.295 683 N C -0.749 174.877 175.510 0.192 0.000 1.076 683 N CA -0.281 52.833 53.050 0.106 0.000 0.919 683 N CB 1.916 40.474 38.487 0.117 0.000 1.176 683 N HN 1.013 nan 8.380 nan 0.000 0.487 684 W N 2.761 124.070 121.300 0.014 0.000 2.264 684 W HA 0.022 4.682 4.660 -0.000 0.000 0.331 684 W C -0.730 175.860 176.519 0.118 0.000 1.364 684 W CA 0.117 57.505 57.345 0.071 0.000 1.253 684 W CB 0.334 29.792 29.460 -0.004 0.000 1.215 684 W HN 0.426 nan 8.180 nan 0.000 0.561 685 Q N 7.970 127.536 119.800 -0.391 0.000 2.303 685 Q HA 0.242 4.582 4.340 -0.000 0.000 0.257 685 Q C -1.812 173.944 176.000 -0.406 0.000 0.941 685 Q CA -1.746 53.895 55.803 -0.271 0.000 0.931 685 Q CB 1.374 29.981 28.738 -0.218 0.000 1.215 685 Q HN 0.214 nan 8.270 nan 0.000 0.437 686 P HA 0.000 nan 4.420 nan 0.000 0.216 686 P CA 0.000 63.201 63.100 0.169 0.000 0.800 686 P CB 0.000 31.827 31.700 0.212 0.000 0.726