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 2cqs_1_A DATA FIRST_RESID 1 DATA SEQUENCE MRYGHFDDAA REYVITTPHT PYPWINYLGS EQFFSLLSHQ AGGYSFYRDA DATA SEQUENCE KMRRLTRYRY NNIPADAGGR YLYVNDGGDV WTPSWLPVKA DLDHFEARHG DATA SEQUENCE LGYSRITGER NGLKVETLFF VPLGENAEVQ KVTVTNTSDA PKTATLFSFV DATA SEQUENCE EFCLWNAQDD QTNYQRNLSI GEVEVEQDGP HGSAIYHKTE YRERRDHYAV DATA SEQUENCE FGVNTRADGF DTDRDTFVGA YNSLGEASVP RAGKSADSVA SGWYPIGSHS DATA SEQUENCE VAVTLQPGES RDLVYVLGYL ENPDEEKWAD DAHQVVNKAP AHALLGRFAT DATA SEQUENCE SEQVDAALEA LNSYWTNLLS TYSVSSTDEK LDRMVNIWNQ YQCMVTFNMS DATA SEQUENCE RSASFFETGI GRGMGFRDSN QDLLGFVHLI PERARERIID IASTQFADGS DATA SEQUENCE AYHQYQPLTK RGNNDIGSGF NDDPLWLIAG VAAYIKESGD WGILDEPVPF DATA SEQUENCE DNEPGSEVPL FEHLTRSFQF TVQNRGPHGL PLIGRADWND CLNLNCFSTT DATA SEQUENCE PGESFQTTEN QAGGVAESVF IAAQFVLYGA EYATLAERRG LADVATEARK DATA SEQUENCE YVDEVRAAVL EHGWDGQWFL RAYDYYGNPV GTDAKPEGKI WIEPQGFAVM DATA SEQUENCE AGIGVGEGPD DADAPAVKAL DSVNEMLGTP HGLVLQYPAY TTYQIELGEV DATA SEQUENCE STYPPGYKEN GGIFCHNNPW VIIAETVVGR GAQAFDYYKR ITPAYREDIS DATA SEQUENCE DTHKLEPYVY AQMIAGKEAV RAGEAKNSWL TGTAAWNFVA VSQYLLGVRP DATA SEQUENCE DYDGLVVDPQ IGPDVPSYTV TRVARGATYE ITVTNSGAPG ARASLTVDGA DATA SEQUENCE PVDGRTVPYA PAGSTVRVEV TV VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.228 176.300 -0.120 0.000 1.140 1 M CA 0.000 55.245 55.300 -0.092 0.000 0.988 1 M CB 0.000 32.539 32.600 -0.102 0.000 1.302 2 R N 2.894 123.256 120.500 -0.229 0.000 2.803 2 R HA 0.647 4.987 4.340 0.000 0.000 0.276 2 R C -1.049 175.050 176.300 -0.335 0.000 0.978 2 R CA -0.603 55.443 56.100 -0.091 0.000 0.939 2 R CB 1.618 31.951 30.300 0.055 0.000 1.179 2 R HN 0.851 nan 8.270 nan 0.000 0.472 3 Y N -0.730 119.709 120.300 0.233 0.000 2.641 3 Y HA 0.412 4.962 4.550 0.000 0.000 0.248 3 Y C 0.824 176.843 175.900 0.197 0.000 1.170 3 Y CA -0.209 57.986 58.100 0.158 0.000 1.201 3 Y CB 1.851 40.326 38.460 0.025 0.000 1.232 3 Y HN 0.860 nan 8.280 nan 0.000 0.537 4 G N -0.354 108.623 108.800 0.294 0.000 2.335 4 G HA2 0.381 4.341 3.960 0.000 0.000 0.291 4 G HA3 0.381 4.341 3.960 0.000 0.000 0.291 4 G C -1.898 172.961 174.900 -0.068 0.000 1.261 4 G CA -0.691 44.439 45.100 0.050 0.000 0.871 4 G HN 0.213 nan 8.290 nan 0.000 0.491 5 H N -1.573 117.115 119.070 -0.636 0.000 3.003 5 H HA 0.580 5.136 4.556 0.000 0.000 0.327 5 H C -1.800 173.054 175.328 -0.791 0.000 1.353 5 H CA -0.970 54.785 56.048 -0.490 0.000 1.142 5 H CB 0.889 30.549 29.762 -0.170 0.000 1.864 5 H HN 0.375 nan 8.280 nan 0.000 0.529 6 F N 0.868 120.732 119.950 -0.143 0.000 2.399 6 F HA 0.186 4.713 4.527 0.000 0.000 0.342 6 F C 0.873 176.713 175.800 0.067 0.000 1.106 6 F CA 0.251 58.222 58.000 -0.048 0.000 1.196 6 F CB 0.806 39.868 39.000 0.103 0.000 1.163 6 F HN 0.491 nan 8.300 nan 0.000 0.547 7 D N 2.817 123.374 120.400 0.261 0.000 2.432 7 D HA 0.130 4.770 4.640 0.000 0.000 0.265 7 D C 0.267 176.714 176.300 0.246 0.000 1.160 7 D CA -0.273 53.857 54.000 0.216 0.000 0.911 7 D CB 0.427 41.296 40.800 0.116 0.000 1.052 7 D HN 0.437 nan 8.370 nan 0.000 0.508 8 D N 2.193 122.733 120.400 0.234 0.000 2.117 8 D HA -0.149 4.491 4.640 0.000 0.000 0.197 8 D C 1.885 178.258 176.300 0.121 0.000 0.987 8 D CA 1.185 55.299 54.000 0.190 0.000 0.829 8 D CB 0.017 40.899 40.800 0.136 0.000 0.961 8 D HN 0.538 nan 8.370 nan 0.000 0.460 9 A N 0.824 123.704 122.820 0.101 0.000 1.978 9 A HA -0.033 4.287 4.320 0.000 0.000 0.220 9 A C 2.165 179.791 177.584 0.069 0.000 1.170 9 A CA 2.093 54.174 52.037 0.072 0.000 0.636 9 A CB -0.385 18.652 19.000 0.062 0.000 0.810 9 A HN 0.254 nan 8.150 nan 0.000 0.448 10 A N -1.828 121.045 122.820 0.088 0.000 2.308 10 A HA 0.361 4.681 4.320 0.000 0.000 0.217 10 A C 0.978 178.612 177.584 0.083 0.000 1.216 10 A CA 0.290 52.381 52.037 0.089 0.000 0.864 10 A CB -0.154 18.906 19.000 0.099 0.000 0.902 10 A HN 0.455 nan 8.150 nan 0.000 0.499 11 R N -0.010 120.533 120.500 0.072 0.000 3.264 11 R HA -0.163 4.178 4.340 0.000 0.000 0.251 11 R C -1.132 175.178 176.300 0.017 0.000 0.971 11 R CA 1.246 57.329 56.100 -0.028 0.000 0.658 11 R CB -2.100 28.081 30.300 -0.199 0.000 1.095 11 R HN 0.780 nan 8.270 nan 0.000 0.443 12 E N -0.343 120.026 120.200 0.281 0.000 2.429 12 E HA 0.378 4.728 4.350 0.000 0.000 0.276 12 E C -1.455 175.341 176.600 0.326 0.000 0.953 12 E CA -1.031 55.552 56.400 0.306 0.000 0.787 12 E CB 1.555 31.314 29.700 0.099 0.000 1.307 12 E HN 0.155 nan 8.360 nan 0.000 0.458 13 Y N 0.942 121.200 120.300 -0.069 0.000 2.335 13 Y HA 0.372 4.922 4.550 0.000 0.000 0.338 13 Y C -1.117 174.560 175.900 -0.371 0.000 0.977 13 Y CA -0.770 57.047 58.100 -0.473 0.000 1.114 13 Y CB 1.159 39.015 38.460 -1.005 0.000 1.182 13 Y HN 0.246 nan 8.280 nan 0.000 0.463 14 V N 8.361 127.645 119.914 -1.051 0.000 2.348 14 V HA 0.283 4.403 4.120 0.000 0.000 0.270 14 V C 0.044 175.754 176.094 -0.640 0.000 1.037 14 V CA -0.597 61.255 62.300 -0.748 0.000 0.872 14 V CB 0.521 31.823 31.823 -0.870 0.000 1.002 14 V HN 0.627 nan 8.190 nan 0.000 0.464 15 I N 4.953 125.381 120.570 -0.237 0.000 2.312 15 I HA 0.204 4.375 4.170 0.000 0.000 0.291 15 I C 1.354 177.488 176.117 0.027 0.000 1.031 15 I CA -0.065 61.253 61.300 0.030 0.000 1.293 15 I CB 1.661 39.763 38.000 0.170 0.000 1.403 15 I HN 0.735 nan 8.210 nan 0.000 0.484 16 T N -0.035 114.565 114.554 0.077 0.000 3.122 16 T HA 0.097 4.447 4.350 0.000 0.000 0.250 16 T C 0.480 175.299 174.700 0.199 0.000 1.067 16 T CA -0.233 61.930 62.100 0.105 0.000 0.966 16 T CB -0.014 68.907 68.868 0.087 0.000 1.002 16 T HN 0.611 nan 8.240 nan 0.000 0.542 17 T N 0.447 115.148 114.554 0.246 0.000 2.889 17 T HA 0.484 4.834 4.350 0.000 0.000 0.315 17 T C -2.753 171.883 174.700 -0.106 0.000 1.291 17 T CA -1.308 60.832 62.100 0.067 0.000 1.028 17 T CB 1.994 70.847 68.868 -0.025 0.000 1.235 17 T HN -0.278 nan 8.240 nan 0.000 0.491 18 P HA 0.173 nan 4.420 nan 0.000 0.230 18 P C -0.123 176.901 177.300 -0.459 0.000 1.168 18 P CA 0.546 63.148 63.100 -0.830 0.000 0.793 18 P CB -0.050 30.714 31.700 -1.560 0.000 0.851 19 H N -0.112 118.734 119.070 -0.373 0.000 2.966 19 H HA 0.159 4.715 4.556 0.000 0.000 0.217 19 H C 0.704 175.871 175.328 -0.268 0.000 1.906 19 H CA -0.439 55.440 56.048 -0.280 0.000 1.351 19 H CB -0.813 28.792 29.762 -0.262 0.000 1.722 19 H HN 0.102 nan 8.280 nan 0.000 0.562 20 T N -2.177 112.141 114.554 -0.395 0.000 2.816 20 T HA 0.103 4.453 4.350 0.000 0.000 0.282 20 T C -1.358 172.917 174.700 -0.709 0.000 0.993 20 T CA -2.007 59.505 62.100 -0.981 0.000 0.994 20 T CB 1.396 69.291 68.868 -1.620 0.000 1.025 20 T HN 0.051 nan 8.240 nan 0.000 0.529 21 P HA 0.115 nan 4.420 nan 0.000 0.221 21 P C -0.661 176.646 177.300 0.012 0.000 1.150 21 P CA 0.927 63.868 63.100 -0.265 0.000 0.800 21 P CB -0.020 31.593 31.700 -0.144 0.000 0.787 22 Y N -2.872 117.283 120.300 -0.243 0.000 2.656 22 Y HA 0.402 4.952 4.550 0.000 0.000 0.334 22 Y C -2.824 173.059 175.900 -0.029 0.000 1.179 22 Y CA -2.829 55.269 58.100 -0.003 0.000 1.050 22 Y CB 1.202 39.786 38.460 0.208 0.000 1.308 22 Y HN -0.338 nan 8.280 nan 0.000 0.456 23 P HA 0.001 nan 4.420 nan 0.000 0.267 23 P C -1.309 176.271 177.300 0.467 0.000 1.209 23 P CA 0.610 63.829 63.100 0.198 0.000 0.763 23 P CB 0.204 32.035 31.700 0.219 0.000 0.816 24 W N 5.564 127.034 121.300 0.283 0.000 2.329 24 W HA 0.427 5.087 4.660 0.000 0.000 0.312 24 W C 0.373 177.104 176.519 0.353 0.000 1.054 24 W CA -0.736 56.759 57.345 0.250 0.000 1.245 24 W CB 0.152 29.712 29.460 0.168 0.000 1.255 24 W HN 0.243 nan 8.180 nan 0.000 0.436 25 I N 1.220 121.996 120.570 0.343 0.000 2.947 25 I HA 0.680 4.850 4.170 0.000 0.000 0.314 25 I C -0.487 175.587 176.117 -0.071 0.000 1.028 25 I CA -0.827 60.426 61.300 -0.078 0.000 1.077 25 I CB 2.154 39.705 38.000 -0.748 0.000 1.274 25 I HN 0.227 nan 8.210 nan 0.000 0.485 26 N N 1.275 119.631 118.700 -0.573 0.000 2.380 26 N HA 0.495 5.235 4.740 0.000 0.000 0.290 26 N C -2.063 173.091 175.510 -0.593 0.000 1.236 26 N CA -0.564 52.237 53.050 -0.415 0.000 0.780 26 N CB 1.619 39.740 38.487 -0.609 0.000 1.438 26 N HN 0.627 nan 8.380 nan 0.000 0.491 27 Y N 0.659 120.676 120.300 -0.472 0.000 2.352 27 Y HA 0.503 5.053 4.550 0.000 0.000 0.339 27 Y C -0.270 175.585 175.900 -0.075 0.000 0.992 27 Y CA -0.689 57.175 58.100 -0.393 0.000 1.100 27 Y CB 1.383 39.508 38.460 -0.557 0.000 1.192 27 Y HN 0.237 nan 8.280 nan 0.000 0.458 28 L N 3.239 124.515 121.223 0.088 0.000 2.317 28 L HA 0.856 5.196 4.340 0.000 0.000 0.281 28 L C 0.290 177.268 176.870 0.179 0.000 1.024 28 L CA -0.856 54.090 54.840 0.177 0.000 0.810 28 L CB 1.547 43.688 42.059 0.136 0.000 1.240 28 L HN 0.870 nan 8.230 nan 0.000 0.427 29 G N 1.537 110.455 108.800 0.197 0.000 2.712 29 G HA2 -0.049 3.911 3.960 0.000 0.000 0.686 29 G HA3 -0.049 3.911 3.960 0.000 0.000 0.686 29 G C -0.107 174.884 174.900 0.151 0.000 1.181 29 G CA -0.162 44.931 45.100 -0.011 0.000 0.762 29 G HN 0.905 nan 8.290 nan 0.000 0.641 30 S N -0.673 115.063 115.700 0.059 0.000 2.911 30 S HA 0.394 4.864 4.470 0.000 0.000 0.261 30 S C 0.634 175.383 174.600 0.248 0.000 1.021 30 S CA 0.812 59.224 58.200 0.354 0.000 1.222 30 S CB 0.617 64.084 63.200 0.446 0.000 1.171 30 S HN 0.746 nan 8.310 nan 0.000 0.669 31 E N 1.484 121.643 120.200 -0.067 0.000 2.720 31 E HA 0.302 4.652 4.350 0.000 0.000 0.260 31 E C 1.097 177.690 176.600 -0.011 0.000 0.967 31 E CA -0.050 56.357 56.400 0.012 0.000 1.055 31 E CB 0.163 29.840 29.700 -0.040 0.000 2.411 31 E HN 0.304 nan 8.360 nan 0.000 0.570 32 Q N -0.766 118.922 119.800 -0.187 0.000 2.245 32 Q HA 0.229 4.569 4.340 0.000 0.000 0.250 32 Q C -0.600 175.239 176.000 -0.268 0.000 0.830 32 Q CA -0.192 55.538 55.803 -0.122 0.000 0.950 32 Q CB 1.254 29.951 28.738 -0.068 0.000 1.124 32 Q HN 0.089 nan 8.270 nan 0.000 0.502 33 F N 0.856 120.418 119.950 -0.648 0.000 2.444 33 F HA 0.516 5.043 4.527 0.000 0.000 0.342 33 F C -1.206 173.983 175.800 -1.018 0.000 1.121 33 F CA -0.976 56.709 58.000 -0.524 0.000 0.997 33 F CB 0.872 39.750 39.000 -0.204 0.000 1.130 33 F HN -0.230 nan 8.300 nan 0.000 0.454 34 F N 2.432 121.816 119.950 -0.942 0.000 2.588 34 F HA 0.641 5.168 4.527 0.000 0.000 0.314 34 F C -0.352 174.940 175.800 -0.848 0.000 1.069 34 F CA -0.835 56.695 58.000 -0.783 0.000 0.931 34 F CB 2.372 40.840 39.000 -0.887 0.000 1.260 34 F HN 0.218 nan 8.300 nan 0.000 0.465 35 S N 2.002 117.540 115.700 -0.270 0.000 2.538 35 S HA 0.680 5.150 4.470 0.000 0.000 0.288 35 S C -1.382 172.980 174.600 -0.396 0.000 1.108 35 S CA -0.532 57.492 58.200 -0.293 0.000 0.971 35 S CB 1.634 64.760 63.200 -0.123 0.000 1.041 35 S HN 0.339 nan 8.310 nan 0.000 0.483 36 L N 3.165 124.048 121.223 -0.567 0.000 2.272 36 L HA 0.602 4.942 4.340 0.000 0.000 0.289 36 L C -0.821 175.700 176.870 -0.582 0.000 1.032 36 L CA -0.206 54.163 54.840 -0.786 0.000 0.810 36 L CB 1.046 42.602 42.059 -0.838 0.000 1.205 36 L HN 0.547 nan 8.230 nan 0.000 0.422 37 L N 3.702 124.579 121.223 -0.575 0.000 2.372 37 L HA 0.622 4.962 4.340 0.000 0.000 0.274 37 L C 0.225 176.900 176.870 -0.326 0.000 0.988 37 L CA 0.003 54.597 54.840 -0.411 0.000 0.833 37 L CB 1.692 43.538 42.059 -0.356 0.000 1.236 37 L HN 0.676 nan 8.230 nan 0.000 0.410 38 S N 2.578 118.164 115.700 -0.190 0.000 2.655 38 S HA 0.235 4.705 4.470 0.000 0.000 0.265 38 S C 1.193 175.944 174.600 0.252 0.000 1.240 38 S CA 0.172 58.392 58.200 0.034 0.000 0.986 38 S CB 0.485 63.753 63.200 0.115 0.000 0.985 38 S HN 0.829 nan 8.310 nan 0.000 0.562 39 H N 0.060 119.312 119.070 0.303 0.000 2.563 39 H HA 0.129 4.685 4.556 0.000 0.000 0.272 39 H C 0.117 175.612 175.328 0.279 0.000 1.005 39 H CA 0.427 56.616 56.048 0.236 0.000 1.171 39 H CB -0.195 29.687 29.762 0.199 0.000 1.351 39 H HN 0.602 nan 8.280 nan 0.000 0.602 40 Q N 0.151 119.836 119.800 -0.192 0.000 2.141 40 Q HA 0.401 4.741 4.340 0.000 0.000 0.248 40 Q C 0.784 176.841 176.000 0.095 0.000 0.834 40 Q CA 0.207 55.960 55.803 -0.083 0.000 1.096 40 Q CB 0.991 29.610 28.738 -0.198 0.000 1.189 40 Q HN 0.609 nan 8.270 nan 0.000 0.471 41 A N -0.334 122.492 122.820 0.011 0.000 2.945 41 A HA -0.180 4.140 4.320 0.000 0.000 0.263 41 A C 0.902 178.403 177.584 -0.138 0.000 1.293 41 A CA 1.021 52.977 52.037 -0.136 0.000 0.944 41 A CB -1.978 17.057 19.000 0.060 0.000 1.093 41 A HN 0.468 nan 8.150 nan 0.000 0.786 42 G N -2.346 106.446 108.800 -0.014 0.000 2.537 42 G HA2 0.757 4.718 3.960 0.000 0.000 0.273 42 G HA3 0.757 4.718 3.960 0.000 0.000 0.273 42 G C 0.876 175.751 174.900 -0.041 0.000 1.189 42 G CA 0.903 46.033 45.100 0.051 0.000 0.881 42 G HN 2.421 nan 8.290 nan 0.000 0.535 43 G N -0.852 107.839 108.800 -0.183 0.000 2.306 43 G HA2 0.482 4.442 3.960 0.000 0.000 0.262 43 G HA3 0.482 4.442 3.960 0.000 0.000 0.262 43 G C -0.794 174.023 174.900 -0.138 0.000 1.263 43 G CA 0.139 44.953 45.100 -0.477 0.000 1.088 43 G HN 2.054 nan 8.290 nan 0.000 0.489 44 Y N -2.654 117.498 120.300 -0.246 0.000 2.764 44 Y HA 0.853 5.403 4.550 0.000 0.000 0.331 44 Y C -0.270 175.599 175.900 -0.052 0.000 1.280 44 Y CA -0.654 57.386 58.100 -0.101 0.000 1.065 44 Y CB 0.857 39.310 38.460 -0.012 0.000 1.319 44 Y HN 1.018 nan 8.280 nan 0.000 0.453 45 S N 0.952 116.753 115.700 0.168 0.000 2.570 45 S HA 0.846 5.316 4.470 0.000 0.000 0.286 45 S C -1.538 173.136 174.600 0.123 0.000 1.099 45 S CA -0.723 57.442 58.200 -0.060 0.000 0.913 45 S CB 1.762 64.915 63.200 -0.080 0.000 1.085 45 S HN 0.843 nan 8.310 nan 0.000 0.480 46 F N -0.469 119.303 119.950 -0.296 0.000 2.686 46 F HA 0.697 5.224 4.527 0.000 0.000 0.311 46 F C -1.782 173.846 175.800 -0.288 0.000 1.128 46 F CA -1.408 56.524 58.000 -0.113 0.000 0.946 46 F CB 0.910 39.962 39.000 0.086 0.000 1.336 46 F HN 0.541 nan 8.300 nan 0.000 0.457 47 Y N 3.366 123.655 120.300 -0.018 0.000 2.356 47 Y HA 0.563 5.113 4.550 0.000 0.000 0.334 47 Y C 0.987 176.920 175.900 0.055 0.000 0.958 47 Y CA -0.837 57.157 58.100 -0.177 0.000 1.196 47 Y CB 0.956 39.017 38.460 -0.666 0.000 1.137 47 Y HN 0.838 nan 8.280 nan 0.000 0.485 48 R N 1.158 121.481 120.500 -0.295 0.000 3.793 48 R HA -0.281 4.059 4.340 0.000 0.000 0.318 48 R C -0.679 175.680 176.300 0.098 0.000 0.729 48 R CA 2.097 58.086 56.100 -0.184 0.000 1.731 48 R CB -1.112 28.844 30.300 -0.573 0.000 1.879 48 R HN 0.678 nan 8.270 nan 0.000 0.498 49 D N -1.225 119.268 120.400 0.154 0.000 2.686 49 D HA 0.444 5.084 4.640 0.000 0.000 0.249 49 D C 0.318 176.528 176.300 -0.151 0.000 1.260 49 D CA 0.597 54.594 54.000 -0.004 0.000 0.910 49 D CB 1.660 42.450 40.800 -0.017 0.000 1.323 49 D HN 0.201 nan 8.370 nan 0.000 0.561 50 A N 4.173 126.560 122.820 -0.722 0.000 2.067 50 A HA -0.129 4.191 4.320 0.000 0.000 0.219 50 A C 1.852 179.266 177.584 -0.284 0.000 1.158 50 A CA 1.185 52.653 52.037 -0.947 0.000 0.661 50 A CB -0.036 18.277 19.000 -1.144 0.000 0.801 50 A HN 0.544 nan 8.150 nan 0.000 0.452 51 K N -1.168 119.128 120.400 -0.175 0.000 2.168 51 K HA 0.160 4.480 4.320 0.000 0.000 0.201 51 K C 1.721 178.334 176.600 0.022 0.000 1.049 51 K CA 0.802 57.048 56.287 -0.069 0.000 0.974 51 K CB -0.084 32.376 32.500 -0.068 0.000 0.792 51 K HN 0.441 nan 8.250 nan 0.000 0.463 52 M N 0.073 119.700 119.600 0.045 0.000 2.501 52 M HA 0.117 4.598 4.480 0.000 0.000 0.261 52 M C 0.305 176.745 176.300 0.234 0.000 1.129 52 M CA 0.472 55.843 55.300 0.118 0.000 1.126 52 M CB 0.774 33.417 32.600 0.073 0.000 1.359 52 M HN -0.144 nan 8.290 nan 0.000 0.471 53 R N 0.844 121.507 120.500 0.273 0.000 2.701 53 R HA 0.304 4.644 4.340 0.000 0.000 0.281 53 R C -0.846 175.796 176.300 0.570 0.000 1.367 53 R CA -0.139 56.251 56.100 0.484 0.000 1.510 53 R CB 0.275 30.752 30.300 0.295 0.000 1.306 53 R HN 0.197 nan 8.270 nan 0.000 0.682 54 R N 1.927 122.700 120.500 0.455 0.000 2.216 54 R HA 0.239 4.579 4.340 0.000 0.000 0.332 54 R C 1.155 177.581 176.300 0.211 0.000 1.056 54 R CA -0.277 56.027 56.100 0.340 0.000 0.901 54 R CB 0.582 30.976 30.300 0.156 0.000 1.039 54 R HN 0.198 nan 8.270 nan 0.000 0.456 55 L N 2.409 123.776 121.223 0.239 0.000 2.027 55 L HA -0.030 4.310 4.340 0.000 0.000 0.206 55 L C 1.056 177.952 176.870 0.042 0.000 1.074 55 L CA 1.411 56.298 54.840 0.078 0.000 0.745 55 L CB -0.719 41.530 42.059 0.316 0.000 0.898 55 L HN 0.688 nan 8.230 nan 0.000 0.433 56 T N -2.297 112.304 114.554 0.077 0.000 2.908 56 T HA 0.463 4.813 4.350 0.000 0.000 0.290 56 T C -0.244 174.440 174.700 -0.027 0.000 1.034 56 T CA -0.825 61.260 62.100 -0.025 0.000 1.010 56 T CB 2.818 71.634 68.868 -0.088 0.000 1.068 56 T HN 0.037 nan 8.240 nan 0.000 0.481 57 R N 0.887 121.335 120.500 -0.088 0.000 2.357 57 R HA 0.506 4.846 4.340 0.000 0.000 0.296 57 R C -1.672 174.613 176.300 -0.025 0.000 1.052 57 R CA -0.658 55.392 56.100 -0.084 0.000 0.988 57 R CB 0.563 30.814 30.300 -0.081 0.000 1.025 57 R HN 0.791 nan 8.270 nan 0.000 0.469 58 Y N 2.721 122.877 120.300 -0.240 0.000 2.457 58 Y HA 0.384 4.934 4.550 0.000 0.000 0.343 58 Y C -1.149 174.604 175.900 -0.245 0.000 0.994 58 Y CA -1.009 56.947 58.100 -0.241 0.000 1.031 58 Y CB 1.606 39.936 38.460 -0.217 0.000 1.246 58 Y HN 0.557 nan 8.280 nan 0.000 0.449 59 R N 5.315 125.270 120.500 -0.909 0.000 2.229 59 R HA 0.315 4.655 4.340 0.000 0.000 0.332 59 R C -1.491 174.325 176.300 -0.807 0.000 0.989 59 R CA -0.637 55.094 56.100 -0.616 0.000 0.842 59 R CB 0.867 30.922 30.300 -0.408 0.000 1.119 59 R HN 0.606 nan 8.270 nan 0.000 0.456 60 Y N 1.783 121.827 120.300 -0.426 0.000 2.336 60 Y HA -0.039 4.511 4.550 0.000 0.000 0.331 60 Y C 1.179 176.943 175.900 -0.228 0.000 1.211 60 Y CA 0.063 57.988 58.100 -0.291 0.000 1.346 60 Y CB 0.655 39.041 38.460 -0.123 0.000 1.271 60 Y HN 0.664 nan 8.280 nan 0.000 0.538 61 N N 1.890 120.566 118.700 -0.040 0.000 2.725 61 N HA -0.277 4.463 4.740 0.000 0.000 0.251 61 N C -1.162 174.294 175.510 -0.091 0.000 1.031 61 N CA 0.395 53.423 53.050 -0.036 0.000 0.720 61 N CB -1.158 37.338 38.487 0.015 0.000 0.930 61 N HN 0.768 nan 8.380 nan 0.000 0.543 62 N N -0.023 118.576 118.700 -0.169 0.000 2.476 62 N HA 0.608 5.348 4.740 0.000 0.000 0.275 62 N C -0.307 175.133 175.510 -0.117 0.000 1.190 62 N CA -0.340 52.608 53.050 -0.169 0.000 0.977 62 N CB 0.629 38.961 38.487 -0.258 0.000 1.200 62 N HN 0.282 nan 8.380 nan 0.000 0.515 63 I N 2.309 122.821 120.570 -0.097 0.000 2.466 63 I HA 0.327 4.497 4.170 0.000 0.000 0.279 63 I C -1.864 174.208 176.117 -0.076 0.000 1.033 63 I CA -1.573 59.685 61.300 -0.070 0.000 1.123 63 I CB 1.377 39.346 38.000 -0.052 0.000 1.237 63 I HN 0.507 nan 8.210 nan 0.000 0.460 64 P HA 0.402 nan 4.420 nan 0.000 0.276 64 P C -0.339 176.905 177.300 -0.093 0.000 1.261 64 P CA -0.456 62.605 63.100 -0.066 0.000 0.800 64 P CB 0.984 32.655 31.700 -0.049 0.000 1.066 65 A N 0.500 123.262 122.820 -0.096 0.000 2.483 65 A HA 0.150 4.470 4.320 0.000 0.000 0.238 65 A C 0.668 178.176 177.584 -0.127 0.000 1.070 65 A CA 0.694 52.639 52.037 -0.153 0.000 0.770 65 A CB -0.994 17.885 19.000 -0.202 0.000 1.008 65 A HN 0.757 nan 8.150 nan 0.000 0.497 66 D N -0.755 119.550 120.400 -0.159 0.000 2.870 66 D HA -0.151 4.489 4.640 0.000 0.000 0.228 66 D C 0.187 176.517 176.300 0.050 0.000 1.147 66 D CA 1.402 55.407 54.000 0.009 0.000 0.757 66 D CB -1.202 39.675 40.800 0.128 0.000 1.091 66 D HN 1.077 nan 8.370 nan 0.000 0.429 67 A N 0.778 123.572 122.820 -0.044 0.000 2.910 67 A HA 0.669 4.989 4.320 0.000 0.000 0.316 67 A C 0.800 178.431 177.584 0.079 0.000 1.493 67 A CA 0.521 52.575 52.037 0.029 0.000 1.150 67 A CB 0.329 19.295 19.000 -0.057 0.000 1.159 67 A HN 0.925 nan 8.150 nan 0.000 0.526 68 G N -0.086 108.850 108.800 0.227 0.000 2.046 68 G HA2 0.606 4.567 3.960 0.000 0.000 0.245 68 G HA3 0.606 4.567 3.960 0.000 0.000 0.245 68 G C -0.346 174.522 174.900 -0.054 0.000 1.723 68 G CA 0.238 45.406 45.100 0.113 0.000 0.909 68 G HN 1.829 nan 8.290 nan 0.000 0.737 69 G N 0.644 109.141 108.800 -0.505 0.000 2.441 69 G HA2 0.574 4.534 3.960 0.000 0.000 0.225 69 G HA3 0.574 4.534 3.960 0.000 0.000 0.225 69 G C -1.437 173.069 174.900 -0.656 0.000 1.200 69 G CA -0.888 43.914 45.100 -0.496 0.000 0.947 69 G HN 0.761 nan 8.290 nan 0.000 0.484 70 R N 0.484 120.722 120.500 -0.437 0.000 2.235 70 R HA 0.612 4.952 4.340 0.000 0.000 0.338 70 R C -1.248 175.028 176.300 -0.041 0.000 1.087 70 R CA -0.129 55.870 56.100 -0.168 0.000 0.948 70 R CB -0.008 30.372 30.300 0.134 0.000 1.099 70 R HN 0.375 nan 8.270 nan 0.000 0.483 71 Y N 1.734 122.128 120.300 0.156 0.000 2.496 71 Y HA 0.548 5.098 4.550 0.000 0.000 0.331 71 Y C -0.235 175.685 175.900 0.033 0.000 1.140 71 Y CA -1.765 56.350 58.100 0.025 0.000 1.166 71 Y CB 1.338 39.689 38.460 -0.181 0.000 1.249 71 Y HN 0.291 nan 8.280 nan 0.000 0.479 72 L N 2.797 124.082 121.223 0.103 0.000 2.442 72 L HA 0.461 4.801 4.340 0.000 0.000 0.261 72 L C -1.856 174.995 176.870 -0.032 0.000 1.000 72 L CA -0.640 54.241 54.840 0.069 0.000 0.882 72 L CB -0.031 42.025 42.059 -0.004 0.000 1.207 72 L HN 0.457 nan 8.230 nan 0.000 0.443 73 Y N 3.382 123.757 120.300 0.124 0.000 2.402 73 Y HA 0.409 4.959 4.550 0.000 0.000 0.333 73 Y C 0.366 176.278 175.900 0.019 0.000 1.076 73 Y CA -0.176 57.941 58.100 0.027 0.000 1.299 73 Y CB 0.979 39.480 38.460 0.070 0.000 1.197 73 Y HN 0.236 nan 8.280 nan 0.000 0.517 74 V N 4.589 124.405 119.914 -0.163 0.000 2.384 74 V HA 0.206 4.326 4.120 0.000 0.000 0.287 74 V C -0.300 175.755 176.094 -0.066 0.000 1.020 74 V CA -1.066 61.074 62.300 -0.267 0.000 0.850 74 V CB 1.300 32.554 31.823 -0.948 0.000 0.987 74 V HN 0.722 nan 8.190 nan 0.000 0.436 75 N N 3.709 122.504 118.700 0.159 0.000 2.469 75 N HA 0.204 4.944 4.740 0.000 0.000 0.253 75 N C -1.417 174.203 175.510 0.184 0.000 0.970 75 N CA -0.255 52.912 53.050 0.195 0.000 0.940 75 N CB 1.627 40.284 38.487 0.283 0.000 1.128 75 N HN 0.693 nan 8.380 nan 0.000 0.503 76 D N 2.512 123.042 120.400 0.217 0.000 2.461 76 D HA 0.357 4.997 4.640 0.000 0.000 0.240 76 D C 0.740 177.133 176.300 0.155 0.000 1.094 76 D CA -0.111 54.014 54.000 0.208 0.000 0.868 76 D CB 0.187 41.171 40.800 0.306 0.000 1.062 76 D HN 0.768 nan 8.370 nan 0.000 0.530 77 G N 2.729 111.598 108.800 0.116 0.000 2.305 77 G HA2 -0.091 3.869 3.960 0.000 0.000 0.287 77 G HA3 -0.091 3.869 3.960 0.000 0.000 0.287 77 G C 1.108 176.054 174.900 0.077 0.000 1.036 77 G CA 0.732 45.883 45.100 0.085 0.000 0.887 77 G HN 1.531 nan 8.290 nan 0.000 0.505 78 G N -1.043 107.807 108.800 0.084 0.000 2.254 78 G HA2 -0.190 3.770 3.960 0.000 0.000 0.225 78 G HA3 -0.190 3.770 3.960 0.000 0.000 0.225 78 G C 0.216 175.159 174.900 0.072 0.000 1.003 78 G CA 0.821 45.958 45.100 0.061 0.000 0.622 78 G HN 1.479 nan 8.290 nan 0.000 0.507 79 D N 0.972 121.440 120.400 0.114 0.000 2.317 79 D HA 0.485 5.125 4.640 0.000 0.000 0.252 79 D C 0.272 176.710 176.300 0.229 0.000 1.174 79 D CA -0.117 53.973 54.000 0.150 0.000 0.866 79 D CB 1.234 42.132 40.800 0.163 0.000 1.127 79 D HN 0.215 nan 8.370 nan 0.000 0.467 80 V N 6.393 126.417 119.914 0.183 0.000 2.435 80 V HA 0.608 4.729 4.120 0.000 0.000 0.290 80 V C -0.351 175.907 176.094 0.273 0.000 1.030 80 V CA -0.624 61.779 62.300 0.173 0.000 0.881 80 V CB 0.919 32.770 31.823 0.047 0.000 0.983 80 V HN 0.626 nan 8.190 nan 0.000 0.445 81 W N 3.017 124.350 121.300 0.055 0.000 3.074 81 W HA 0.719 5.379 4.660 0.000 0.000 0.332 81 W C -1.177 175.338 176.519 -0.008 0.000 1.253 81 W CA -0.938 56.411 57.345 0.006 0.000 1.180 81 W CB 1.300 30.777 29.460 0.028 0.000 1.445 81 W HN 0.561 nan 8.180 nan 0.000 0.573 82 T N -0.980 113.623 114.554 0.082 0.000 2.824 82 T HA 0.373 4.723 4.350 0.000 0.000 0.282 82 T C -1.579 173.252 174.700 0.217 0.000 0.993 82 T CA -1.785 60.233 62.100 -0.137 0.000 0.967 82 T CB 2.602 71.240 68.868 -0.383 0.000 0.960 82 T HN 0.267 nan 8.240 nan 0.000 0.441 83 P HA -0.107 nan 4.420 nan 0.000 0.221 83 P C 1.247 178.841 177.300 0.490 0.000 1.145 83 P CA 0.787 64.177 63.100 0.483 0.000 0.795 83 P CB -0.018 31.875 31.700 0.323 0.000 0.775 84 S N -4.368 111.543 115.700 0.353 0.000 2.631 84 S HA 0.038 4.508 4.470 0.000 0.000 0.217 84 S C 1.058 175.831 174.600 0.288 0.000 0.958 84 S CA -0.212 58.223 58.200 0.393 0.000 0.920 84 S CB -1.116 62.274 63.200 0.316 0.000 0.776 84 S HN 0.255 nan 8.310 nan 0.000 0.517 85 W N 0.609 121.923 121.300 0.025 0.000 1.437 85 W HA -0.351 4.309 4.660 0.000 0.000 0.269 85 W C -0.267 176.162 176.519 -0.150 0.000 1.682 85 W CA 1.016 58.298 57.345 -0.105 0.000 2.084 85 W CB -1.464 27.795 29.460 -0.334 0.000 1.127 85 W HN 0.345 nan 8.180 nan 0.000 0.444 86 L N 3.415 124.520 121.223 -0.197 0.000 2.467 86 L HA 0.061 4.401 4.340 0.000 0.000 0.270 86 L C -0.692 175.821 176.870 -0.595 0.000 1.205 86 L CA -0.395 54.187 54.840 -0.431 0.000 0.828 86 L CB 0.115 42.069 42.059 -0.176 0.000 1.101 86 L HN 0.022 nan 8.230 nan 0.000 0.479 87 P HA -0.013 nan 4.420 nan 0.000 0.239 87 P C 1.322 178.322 177.300 -0.501 0.000 1.188 87 P CA 0.426 63.168 63.100 -0.597 0.000 0.794 87 P CB 0.508 31.862 31.700 -0.577 0.000 0.937 88 V N 0.832 120.455 119.914 -0.486 0.000 2.548 88 V HA -0.098 4.022 4.120 0.000 0.000 0.249 88 V C 1.148 176.975 176.094 -0.445 0.000 1.055 88 V CA 1.225 63.321 62.300 -0.340 0.000 1.065 88 V CB -1.479 30.233 31.823 -0.185 0.000 0.681 88 V HN 0.175 nan 8.190 nan 0.000 0.462 89 K N -0.700 119.238 120.400 -0.770 0.000 3.117 89 K HA -0.182 4.138 4.320 0.000 0.000 0.269 89 K C 0.266 176.621 176.600 -0.408 0.000 1.098 89 K CA 0.286 55.844 56.287 -1.214 0.000 0.785 89 K CB -1.613 30.230 32.500 -1.096 0.000 1.242 89 K HN 0.600 nan 8.250 nan 0.000 0.491 90 A N 1.026 123.752 122.820 -0.156 0.000 2.354 90 A HA 0.294 4.614 4.320 0.000 0.000 0.269 90 A C -0.034 177.653 177.584 0.172 0.000 1.109 90 A CA -0.437 51.626 52.037 0.043 0.000 0.800 90 A CB 0.417 19.481 19.000 0.106 0.000 1.045 90 A HN 0.229 nan 8.150 nan 0.000 0.489 91 D N 0.998 121.475 120.400 0.129 0.000 2.487 91 D HA 0.304 4.944 4.640 0.000 0.000 0.243 91 D C -0.280 176.028 176.300 0.013 0.000 1.154 91 D CA 1.073 55.142 54.000 0.115 0.000 0.876 91 D CB 0.201 41.023 40.800 0.037 0.000 1.161 91 D HN 0.370 nan 8.370 nan 0.000 0.478 92 L N 2.671 123.913 121.223 0.032 0.000 2.329 92 L HA 0.290 4.630 4.340 0.000 0.000 0.279 92 L C 1.176 177.978 176.870 -0.114 0.000 1.014 92 L CA -0.818 53.989 54.840 -0.054 0.000 0.814 92 L CB 1.763 43.876 42.059 0.090 0.000 1.257 92 L HN 0.257 nan 8.230 nan 0.000 0.424 93 D N -0.081 120.194 120.400 -0.208 0.000 2.224 93 D HA -0.008 4.632 4.640 0.000 0.000 0.205 93 D C 0.220 176.163 176.300 -0.595 0.000 0.965 93 D CA 1.378 55.153 54.000 -0.375 0.000 0.852 93 D CB 0.332 40.900 40.800 -0.386 0.000 0.947 93 D HN 0.387 nan 8.370 nan 0.000 0.494 94 H N -1.496 117.590 119.070 0.026 0.000 3.038 94 H HA 0.346 4.902 4.556 0.000 0.000 0.362 94 H C -1.465 173.956 175.328 0.154 0.000 1.167 94 H CA -0.672 55.414 56.048 0.064 0.000 1.197 94 H CB 1.539 31.323 29.762 0.036 0.000 1.840 94 H HN -0.106 nan 8.280 nan 0.000 0.540 95 F N 1.322 121.344 119.950 0.121 0.000 2.608 95 F HA 0.482 5.009 4.527 0.000 0.000 0.309 95 F C -1.454 174.380 175.800 0.056 0.000 1.103 95 F CA -0.378 57.667 58.000 0.076 0.000 0.954 95 F CB 2.246 41.243 39.000 -0.005 0.000 1.267 95 F HN 0.634 nan 8.300 nan 0.000 0.444 96 E N 3.821 123.321 120.200 -1.167 0.000 2.422 96 E HA 0.680 5.030 4.350 0.000 0.000 0.289 96 E C -2.189 173.910 176.600 -0.836 0.000 0.985 96 E CA -0.788 55.148 56.400 -0.774 0.000 0.812 96 E CB 1.852 31.376 29.700 -0.294 0.000 1.226 96 E HN 0.953 nan 8.360 nan 0.000 0.419 97 A N 4.311 126.825 122.820 -0.511 0.000 2.335 97 A HA 0.690 5.010 4.320 0.000 0.000 0.304 97 A C -0.964 176.487 177.584 -0.223 0.000 1.118 97 A CA -0.644 51.227 52.037 -0.277 0.000 0.757 97 A CB 1.087 20.033 19.000 -0.089 0.000 1.188 97 A HN 0.544 nan 8.150 nan 0.000 0.460 98 R N 1.835 122.256 120.500 -0.133 0.000 2.310 98 R HA 0.378 4.718 4.340 0.000 0.000 0.324 98 R C -1.155 175.149 176.300 0.005 0.000 0.955 98 R CA -0.373 55.674 56.100 -0.088 0.000 0.830 98 R CB 1.265 31.563 30.300 -0.003 0.000 1.154 98 R HN 0.866 nan 8.270 nan 0.000 0.458 99 H N 1.028 120.082 119.070 -0.026 0.000 2.594 99 H HA 0.323 4.879 4.556 0.000 0.000 0.304 99 H C 0.410 175.659 175.328 -0.132 0.000 1.068 99 H CA -0.621 55.395 56.048 -0.054 0.000 1.308 99 H CB 1.684 31.411 29.762 -0.058 0.000 1.409 99 H HN 0.755 nan 8.280 nan 0.000 0.460 100 G N 2.342 110.935 108.800 -0.346 0.000 2.971 100 G HA2 0.397 4.357 3.960 0.000 0.000 0.235 100 G HA3 0.397 4.357 3.960 0.000 0.000 0.235 100 G C -0.613 173.757 174.900 -0.884 0.000 1.351 100 G CA -0.916 43.710 45.100 -0.791 0.000 1.039 100 G HN 0.494 nan 8.290 nan 0.000 0.563 101 L N 1.500 122.092 121.223 -1.051 0.000 2.334 101 L HA 0.407 4.747 4.340 0.000 0.000 0.286 101 L C 1.386 178.019 176.870 -0.396 0.000 1.108 101 L CA 0.634 54.730 54.840 -1.241 0.000 0.875 101 L CB 0.251 41.354 42.059 -1.593 0.000 1.246 101 L HN 1.051 nan 8.230 nan 0.000 0.439 102 G N 2.782 111.605 108.800 0.038 0.000 2.176 102 G HA2 -0.312 3.649 3.960 0.000 0.000 0.253 102 G HA3 -0.312 3.649 3.960 0.000 0.000 0.253 102 G C -0.195 174.958 174.900 0.421 0.000 0.979 102 G CA 0.444 45.793 45.100 0.415 0.000 0.641 102 G HN 0.734 nan 8.290 nan 0.000 0.530 103 Y N -1.481 118.957 120.300 0.231 0.000 2.638 103 Y HA 0.812 5.362 4.550 0.000 0.000 0.335 103 Y C -0.400 175.641 175.900 0.235 0.000 1.155 103 Y CA -1.034 57.220 58.100 0.258 0.000 1.046 103 Y CB 0.821 39.371 38.460 0.150 0.000 1.303 103 Y HN 0.386 nan 8.280 nan 0.000 0.460 104 S N 1.020 116.997 115.700 0.462 0.000 2.556 104 S HA 0.705 5.175 4.470 0.000 0.000 0.271 104 S C -1.401 173.508 174.600 0.515 0.000 1.135 104 S CA -1.146 57.301 58.200 0.412 0.000 0.858 104 S CB 2.019 65.480 63.200 0.435 0.000 1.114 104 S HN 0.656 nan 8.310 nan 0.000 0.468 105 R N 1.246 121.970 120.500 0.372 0.000 2.513 105 R HA 0.632 4.972 4.340 0.000 0.000 0.301 105 R C -1.286 175.135 176.300 0.201 0.000 0.968 105 R CA -0.425 55.850 56.100 0.291 0.000 0.872 105 R CB 1.524 31.936 30.300 0.187 0.000 1.177 105 R HN 0.515 nan 8.270 nan 0.000 0.444 106 I N 1.989 122.711 120.570 0.253 0.000 2.436 106 I HA 0.347 4.517 4.170 0.000 0.000 0.289 106 I C -0.500 175.677 176.117 0.100 0.000 1.010 106 I CA -0.549 60.837 61.300 0.144 0.000 1.098 106 I CB 2.512 40.703 38.000 0.319 0.000 1.266 106 I HN 0.483 nan 8.210 nan 0.000 0.434 107 T N 3.983 118.499 114.554 -0.063 0.000 2.848 107 T HA 0.679 5.029 4.350 0.000 0.000 0.285 107 T C -0.129 174.623 174.700 0.086 0.000 0.995 107 T CA -0.748 61.367 62.100 0.026 0.000 0.970 107 T CB 1.929 70.792 68.868 -0.008 0.000 0.976 107 T HN 0.797 nan 8.240 nan 0.000 0.441 108 G N 1.347 110.320 108.800 0.288 0.000 2.662 108 G HA2 0.664 4.625 3.960 0.000 0.000 0.302 108 G HA3 0.664 4.625 3.960 0.000 0.000 0.302 108 G C -1.668 173.493 174.900 0.435 0.000 1.389 108 G CA -0.532 44.834 45.100 0.444 0.000 0.998 108 G HN 0.660 nan 8.290 nan 0.000 0.502 109 E N 0.703 121.041 120.200 0.229 0.000 2.256 109 E HA 0.630 4.980 4.350 0.000 0.000 0.268 109 E C -0.936 175.470 176.600 -0.323 0.000 0.877 109 E CA -0.901 55.535 56.400 0.060 0.000 0.757 109 E CB 2.164 31.968 29.700 0.172 0.000 1.183 109 E HN 0.531 nan 8.360 nan 0.000 0.418 110 R N 3.782 123.882 120.500 -0.667 0.000 2.515 110 R HA 0.231 4.571 4.340 0.000 0.000 0.278 110 R C -1.031 174.986 176.300 -0.472 0.000 1.107 110 R CA -0.388 55.239 56.100 -0.788 0.000 0.945 110 R CB 0.730 30.098 30.300 -1.553 0.000 1.219 110 R HN 0.691 nan 8.270 nan 0.000 0.434 111 N N 2.767 121.310 118.700 -0.261 0.000 2.705 111 N HA -0.204 4.536 4.740 0.000 0.000 0.255 111 N C 0.477 175.973 175.510 -0.024 0.000 1.008 111 N CA 1.837 54.818 53.050 -0.116 0.000 0.742 111 N CB -0.957 37.472 38.487 -0.096 0.000 0.906 111 N HN 1.108 nan 8.380 nan 0.000 0.541 112 G N -2.156 106.640 108.800 -0.005 0.000 2.159 112 G HA2 -0.296 3.664 3.960 0.000 0.000 0.256 112 G HA3 -0.296 3.664 3.960 0.000 0.000 0.256 112 G C -0.307 174.652 174.900 0.098 0.000 0.977 112 G CA 0.404 45.533 45.100 0.048 0.000 0.652 112 G HN 0.446 nan 8.290 nan 0.000 0.531 113 L N 0.424 121.728 121.223 0.135 0.000 2.372 113 L HA 0.677 5.017 4.340 0.000 0.000 0.274 113 L C -0.085 176.979 176.870 0.324 0.000 0.988 113 L CA -1.127 53.867 54.840 0.257 0.000 0.833 113 L CB 1.730 44.033 42.059 0.407 0.000 1.236 113 L HN 0.219 nan 8.230 nan 0.000 0.410 114 K N 3.628 124.185 120.400 0.262 0.000 2.206 114 K HA 0.772 5.092 4.320 0.000 0.000 0.264 114 K C -1.639 175.122 176.600 0.267 0.000 0.967 114 K CA -0.557 55.891 56.287 0.268 0.000 0.844 114 K CB 1.502 34.102 32.500 0.166 0.000 1.099 114 K HN 0.397 nan 8.250 nan 0.000 0.441 115 V N 4.165 124.265 119.914 0.311 0.000 2.409 115 V HA 0.262 4.382 4.120 0.000 0.000 0.290 115 V C -0.720 175.474 176.094 0.167 0.000 1.017 115 V CA -0.778 61.643 62.300 0.202 0.000 0.841 115 V CB 1.329 33.236 31.823 0.140 0.000 1.003 115 V HN 0.855 nan 8.190 nan 0.000 0.426 116 E N 2.867 123.134 120.200 0.111 0.000 2.166 116 E HA 0.637 4.987 4.350 0.000 0.000 0.275 116 E C -1.052 175.578 176.600 0.051 0.000 0.941 116 E CA -0.397 56.054 56.400 0.085 0.000 0.784 116 E CB 1.701 31.437 29.700 0.060 0.000 1.115 116 E HN 0.655 nan 8.360 nan 0.000 0.399 117 T N 4.376 118.956 114.554 0.043 0.000 2.841 117 T HA 0.306 4.656 4.350 0.000 0.000 0.285 117 T C -0.920 173.723 174.700 -0.095 0.000 0.991 117 T CA -0.621 61.415 62.100 -0.108 0.000 0.966 117 T CB 0.820 69.520 68.868 -0.280 0.000 0.962 117 T HN 0.386 nan 8.240 nan 0.000 0.438 118 L N 4.309 125.464 121.223 -0.114 0.000 2.264 118 L HA 0.698 5.038 4.340 0.000 0.000 0.289 118 L C -1.606 175.293 176.870 0.049 0.000 1.044 118 L CA -0.306 54.564 54.840 0.050 0.000 0.807 118 L CB -0.089 41.985 42.059 0.025 0.000 1.192 118 L HN 0.515 nan 8.230 nan 0.000 0.425 119 F N 6.878 127.014 119.950 0.309 0.000 2.458 119 F HA 0.715 5.242 4.527 0.000 0.000 0.336 119 F C -0.201 175.890 175.800 0.486 0.000 1.114 119 F CA -0.362 57.833 58.000 0.325 0.000 0.987 119 F CB 1.404 40.535 39.000 0.219 0.000 1.130 119 F HN 0.529 nan 8.300 nan 0.000 0.458 120 F N 0.257 120.372 119.950 0.275 0.000 2.799 120 F HA 0.695 5.222 4.527 0.000 0.000 0.316 120 F C -2.376 173.488 175.800 0.108 0.000 1.155 120 F CA -1.356 56.775 58.000 0.217 0.000 0.916 120 F CB 0.925 40.066 39.000 0.234 0.000 1.294 120 F HN 0.042 nan 8.300 nan 0.000 0.447 121 V N 3.003 122.923 119.914 0.009 0.000 2.328 121 V HA 0.439 4.559 4.120 0.000 0.000 0.278 121 V C -2.215 173.794 176.094 -0.142 0.000 1.021 121 V CA -1.836 60.359 62.300 -0.175 0.000 0.838 121 V CB 1.161 32.998 31.823 0.023 0.000 0.999 121 V HN 0.578 nan 8.190 nan 0.000 0.447 122 P HA 0.181 nan 4.420 nan 0.000 0.269 122 P C -0.163 177.128 177.300 -0.015 0.000 1.215 122 P CA -0.277 62.795 63.100 -0.047 0.000 0.780 122 P CB 0.561 32.222 31.700 -0.065 0.000 0.898 123 L N 1.734 122.969 121.223 0.021 0.000 2.485 123 L HA 0.176 4.516 4.340 0.000 0.000 0.275 123 L C 1.777 178.622 176.870 -0.041 0.000 1.207 123 L CA 0.860 55.645 54.840 -0.091 0.000 0.855 123 L CB -0.732 41.229 42.059 -0.164 0.000 1.114 123 L HN 0.803 nan 8.230 nan 0.000 0.485 124 G N 1.235 110.000 108.800 -0.059 0.000 2.189 124 G HA2 -0.221 3.739 3.960 0.000 0.000 0.267 124 G HA3 -0.221 3.739 3.960 0.000 0.000 0.267 124 G C 0.174 175.066 174.900 -0.013 0.000 0.975 124 G CA -0.057 45.031 45.100 -0.021 0.000 0.644 124 G HN 0.590 nan 8.290 nan 0.000 0.537 125 E N -0.106 120.067 120.200 -0.045 0.000 2.212 125 E HA 0.353 4.703 4.350 0.000 0.000 0.268 125 E C -0.405 176.076 176.600 -0.198 0.000 0.902 125 E CA -0.785 55.561 56.400 -0.090 0.000 0.779 125 E CB 0.965 30.611 29.700 -0.090 0.000 1.172 125 E HN 0.373 nan 8.360 nan 0.000 0.409 126 N N 0.779 119.334 118.700 -0.241 0.000 3.301 126 N HA 0.406 5.146 4.740 0.000 0.000 0.289 126 N C -0.933 173.883 175.510 -1.157 0.000 1.343 126 N CA -0.134 52.667 53.050 -0.414 0.000 1.136 126 N CB 0.819 39.311 38.487 0.010 0.000 1.402 126 N HN 0.405 nan 8.380 nan 0.000 0.516 127 A N 0.680 122.660 122.820 -1.400 0.000 2.612 127 A HA 0.419 4.739 4.320 0.000 0.000 0.293 127 A C -1.426 175.715 177.584 -0.739 0.000 1.075 127 A CA -0.735 50.608 52.037 -1.157 0.000 0.680 127 A CB 1.441 20.108 19.000 -0.556 0.000 1.279 127 A HN 0.357 nan 8.150 nan 0.000 0.411 128 E N 1.147 121.160 120.200 -0.312 0.000 2.129 128 E HA 0.577 4.928 4.350 0.000 0.000 0.268 128 E C -1.451 175.041 176.600 -0.181 0.000 0.900 128 E CA -0.449 55.898 56.400 -0.088 0.000 0.755 128 E CB 1.408 31.231 29.700 0.205 0.000 1.117 128 E HN 0.450 nan 8.360 nan 0.000 0.410 129 V N 4.518 124.188 119.914 -0.407 0.000 2.532 129 V HA 0.293 4.413 4.120 0.000 0.000 0.295 129 V C -0.312 175.725 176.094 -0.095 0.000 1.041 129 V CA -0.614 61.450 62.300 -0.393 0.000 0.926 129 V CB 1.657 32.957 31.823 -0.872 0.000 0.992 129 V HN 0.733 nan 8.190 nan 0.000 0.457 130 Q N 3.230 123.031 119.800 0.002 0.000 2.330 130 Q HA 0.480 4.820 4.340 0.000 0.000 0.269 130 Q C -0.818 175.221 176.000 0.065 0.000 1.022 130 Q CA -0.629 55.151 55.803 -0.038 0.000 0.796 130 Q CB 2.779 31.449 28.738 -0.114 0.000 1.271 130 Q HN 0.605 nan 8.270 nan 0.000 0.450 131 K N 2.824 123.246 120.400 0.036 0.000 2.389 131 K HA 0.404 4.724 4.320 0.000 0.000 0.261 131 K C -1.347 175.269 176.600 0.026 0.000 1.014 131 K CA -0.411 55.914 56.287 0.064 0.000 0.920 131 K CB 1.003 33.550 32.500 0.079 0.000 1.149 131 K HN 0.383 nan 8.250 nan 0.000 0.444 132 V N 3.636 123.599 119.914 0.081 0.000 2.394 132 V HA 0.287 4.407 4.120 0.000 0.000 0.282 132 V C -0.224 175.911 176.094 0.067 0.000 1.031 132 V CA -0.508 61.840 62.300 0.080 0.000 0.881 132 V CB 1.639 33.572 31.823 0.184 0.000 0.982 132 V HN 0.767 nan 8.190 nan 0.000 0.451 133 T N 4.664 119.251 114.554 0.054 0.000 2.791 133 T HA 0.491 4.841 4.350 0.000 0.000 0.288 133 T C -0.362 174.380 174.700 0.069 0.000 0.999 133 T CA -0.326 61.804 62.100 0.051 0.000 0.952 133 T CB 1.343 70.233 68.868 0.037 0.000 0.938 133 T HN 0.336 nan 8.240 nan 0.000 0.444 134 V N 4.263 124.219 119.914 0.070 0.000 2.370 134 V HA 0.542 4.662 4.120 0.000 0.000 0.279 134 V C 0.258 176.402 176.094 0.083 0.000 1.029 134 V CA -0.572 61.782 62.300 0.089 0.000 0.870 134 V CB 1.519 33.392 31.823 0.083 0.000 0.984 134 V HN 0.930 nan 8.190 nan 0.000 0.451 135 T N 3.825 118.440 114.554 0.101 0.000 2.848 135 T HA 0.300 4.650 4.350 0.000 0.000 0.285 135 T C -0.206 174.553 174.700 0.098 0.000 0.995 135 T CA -0.546 61.605 62.100 0.084 0.000 0.970 135 T CB 1.280 70.191 68.868 0.071 0.000 0.976 135 T HN 0.589 nan 8.240 nan 0.000 0.441 136 N N 2.245 120.993 118.700 0.079 0.000 2.415 136 N HA 0.092 4.832 4.740 0.000 0.000 0.246 136 N C 1.104 176.655 175.510 0.067 0.000 1.078 136 N CA -0.244 52.854 53.050 0.080 0.000 0.942 136 N CB 0.904 39.430 38.487 0.065 0.000 1.140 136 N HN 0.741 nan 8.380 nan 0.000 0.501 137 T N -0.642 113.956 114.554 0.074 0.000 3.086 137 T HA 0.097 4.447 4.350 0.000 0.000 0.250 137 T C 0.948 175.679 174.700 0.052 0.000 1.074 137 T CA -0.244 61.893 62.100 0.062 0.000 0.988 137 T CB -0.270 68.642 68.868 0.074 0.000 0.988 137 T HN 0.373 nan 8.240 nan 0.000 0.530 138 S N 1.904 117.634 115.700 0.051 0.000 2.694 138 S HA 0.361 4.831 4.470 0.000 0.000 0.278 138 S C 0.409 175.030 174.600 0.035 0.000 1.152 138 S CA -0.244 57.980 58.200 0.041 0.000 1.010 138 S CB 0.988 64.213 63.200 0.041 0.000 1.104 138 S HN 0.357 nan 8.310 nan 0.000 0.547 139 D N -0.615 119.802 120.400 0.029 0.000 2.427 139 D HA 0.488 5.128 4.640 0.000 0.000 0.224 139 D C 0.072 176.387 176.300 0.025 0.000 1.157 139 D CA -0.264 53.751 54.000 0.025 0.000 0.828 139 D CB -0.200 40.612 40.800 0.020 0.000 0.974 139 D HN 0.702 nan 8.370 nan 0.000 0.498 140 A N 0.642 123.480 122.820 0.029 0.000 2.556 140 A HA 0.674 4.994 4.320 0.000 0.000 0.294 140 A C -2.897 174.707 177.584 0.034 0.000 1.091 140 A CA -1.632 50.423 52.037 0.029 0.000 0.704 140 A CB 1.500 20.517 19.000 0.027 0.000 1.300 140 A HN -0.040 nan 8.150 nan 0.000 0.406 141 P HA 0.225 nan 4.420 nan 0.000 0.268 141 P C -1.166 176.160 177.300 0.044 0.000 1.208 141 P CA 0.246 63.367 63.100 0.036 0.000 0.777 141 P CB 0.507 32.225 31.700 0.030 0.000 0.875 142 K N 1.355 121.786 120.400 0.051 0.000 2.422 142 K HA 0.541 4.861 4.320 0.000 0.000 0.251 142 K C -0.587 176.050 176.600 0.062 0.000 0.933 142 K CA -0.502 55.823 56.287 0.065 0.000 0.798 142 K CB 2.168 34.717 32.500 0.083 0.000 1.238 142 K HN 0.332 nan 8.250 nan 0.000 0.428 143 T N 0.968 115.562 114.554 0.067 0.000 2.881 143 T HA 0.691 5.041 4.350 0.000 0.000 0.291 143 T C -1.162 173.583 174.700 0.075 0.000 0.990 143 T CA -0.608 61.527 62.100 0.059 0.000 0.976 143 T CB 1.465 70.362 68.868 0.048 0.000 0.970 143 T HN 0.661 nan 8.240 nan 0.000 0.438 144 A N 2.553 125.415 122.820 0.070 0.000 2.539 144 A HA 0.864 5.184 4.320 0.000 0.000 0.296 144 A C -0.456 177.152 177.584 0.039 0.000 1.073 144 A CA -0.842 51.244 52.037 0.082 0.000 0.700 144 A CB 1.617 20.684 19.000 0.112 0.000 1.296 144 A HN 0.596 nan 8.150 nan 0.000 0.405 145 T N 1.988 116.565 114.554 0.038 0.000 2.797 145 T HA 0.579 4.929 4.350 0.000 0.000 0.279 145 T C -0.515 174.112 174.700 -0.123 0.000 0.991 145 T CA -0.151 61.891 62.100 -0.097 0.000 0.979 145 T CB 0.476 69.253 68.868 -0.152 0.000 0.943 145 T HN 0.442 nan 8.240 nan 0.000 0.444 146 L N 3.669 124.775 121.223 -0.196 0.000 2.296 146 L HA 0.582 4.922 4.340 0.000 0.000 0.286 146 L C -0.925 175.865 176.870 -0.133 0.000 1.023 146 L CA -0.810 53.999 54.840 -0.050 0.000 0.812 146 L CB 0.687 42.767 42.059 0.035 0.000 1.223 146 L HN 0.589 nan 8.230 nan 0.000 0.421 147 F N 1.178 121.258 119.950 0.217 0.000 2.375 147 F HA 0.338 4.865 4.527 0.000 0.000 0.361 147 F C 0.842 176.858 175.800 0.360 0.000 1.117 147 F CA -0.694 57.499 58.000 0.322 0.000 1.037 147 F CB 1.779 41.014 39.000 0.392 0.000 1.192 147 F HN 0.485 nan 8.300 nan 0.000 0.452 148 S N 3.201 119.151 115.700 0.417 0.000 2.632 148 S HA 0.706 5.176 4.470 0.000 0.000 0.267 148 S C -0.978 173.880 174.600 0.431 0.000 1.276 148 S CA -0.463 57.914 58.200 0.296 0.000 0.998 148 S CB 1.641 64.914 63.200 0.122 0.000 0.953 148 S HN 0.560 nan 8.310 nan 0.000 0.547 149 F N 0.475 120.516 119.950 0.151 0.000 2.639 149 F HA 0.618 5.145 4.527 0.000 0.000 0.320 149 F C -1.542 174.092 175.800 -0.276 0.000 1.128 149 F CA -0.641 57.313 58.000 -0.076 0.000 1.037 149 F CB 1.359 40.402 39.000 0.072 0.000 1.288 149 F HN 0.708 nan 8.300 nan 0.000 0.463 150 V N 5.546 124.642 119.914 -1.363 0.000 2.969 150 V HA 0.437 4.558 4.120 0.000 0.000 0.304 150 V C -1.528 173.626 176.094 -1.567 0.000 1.192 150 V CA -0.368 61.139 62.300 -1.322 0.000 0.962 150 V CB 2.093 33.113 31.823 -1.337 0.000 1.045 150 V HN 0.861 nan 8.190 nan 0.000 0.428 151 E N 4.676 124.214 120.200 -1.104 0.000 2.134 151 E HA 0.473 4.823 4.350 0.000 0.000 0.278 151 E C -1.288 174.934 176.600 -0.629 0.000 0.959 151 E CA -0.548 55.385 56.400 -0.778 0.000 0.783 151 E CB 0.935 30.424 29.700 -0.351 0.000 1.095 151 E HN 0.516 nan 8.360 nan 0.000 0.399 152 F N 2.758 122.463 119.950 -0.409 0.000 2.410 152 F HA 0.201 4.729 4.527 0.000 0.000 0.334 152 F C 0.710 176.314 175.800 -0.327 0.000 1.134 152 F CA -0.623 57.103 58.000 -0.456 0.000 1.227 152 F CB 0.774 39.255 39.000 -0.866 0.000 1.194 152 F HN 0.402 nan 8.300 nan 0.000 0.571 153 C N 3.961 123.220 119.300 -0.069 0.000 2.435 153 C HA 0.557 5.017 4.460 0.000 0.000 0.333 153 C C 0.482 175.427 174.990 -0.076 0.000 1.202 153 C CA -1.013 57.971 59.018 -0.057 0.000 1.830 153 C CB 0.131 27.834 27.740 -0.061 0.000 2.326 153 C HN 0.735 nan 8.230 nan 0.000 0.507 154 L N 5.890 127.128 121.223 0.024 0.000 2.919 154 L HA 0.179 4.519 4.340 0.000 0.000 0.242 154 L C 0.582 177.559 176.870 0.178 0.000 1.366 154 L CA 0.273 55.165 54.840 0.087 0.000 1.212 154 L CB -1.073 41.080 42.059 0.156 0.000 1.604 154 L HN 1.048 nan 8.230 nan 0.000 0.433 155 W N -1.659 119.789 121.300 0.246 0.000 0.764 155 W HA -0.382 4.278 4.660 0.000 0.000 0.224 155 W C 1.257 177.866 176.519 0.150 0.000 1.033 155 W CA 1.142 58.624 57.345 0.228 0.000 0.992 155 W CB -1.029 28.587 29.460 0.260 0.000 1.776 155 W HN 0.440 nan 8.180 nan 0.000 0.507 156 N N 1.696 120.602 118.700 0.345 0.000 2.439 156 N HA 0.416 5.156 4.740 0.000 0.000 0.243 156 N C 0.752 176.319 175.510 0.095 0.000 1.088 156 N CA 0.880 54.042 53.050 0.186 0.000 0.940 156 N CB 1.145 39.720 38.487 0.146 0.000 1.180 156 N HN 0.284 nan 8.380 nan 0.000 0.505 157 A N 3.822 126.675 122.820 0.055 0.000 1.908 157 A HA -0.233 4.087 4.320 0.000 0.000 0.218 157 A C 1.953 179.516 177.584 -0.034 0.000 1.181 157 A CA 1.661 53.691 52.037 -0.012 0.000 0.627 157 A CB -0.554 18.411 19.000 -0.058 0.000 0.818 157 A HN 0.833 nan 8.150 nan 0.000 0.445 158 Q N -0.552 119.231 119.800 -0.028 0.000 2.050 158 Q HA -0.260 4.080 4.340 0.000 0.000 0.202 158 Q C 1.832 177.795 176.000 -0.062 0.000 0.980 158 Q CA 2.067 57.843 55.803 -0.044 0.000 0.840 158 Q CB -0.267 28.452 28.738 -0.031 0.000 0.898 158 Q HN 0.713 nan 8.270 nan 0.000 0.424 159 D N -0.140 120.235 120.400 -0.041 0.000 2.097 159 D HA -0.208 4.432 4.640 0.000 0.000 0.195 159 D C 1.517 177.731 176.300 -0.143 0.000 0.989 159 D CA 1.619 55.578 54.000 -0.068 0.000 0.827 159 D CB -0.211 40.583 40.800 -0.009 0.000 0.966 159 D HN 0.374 nan 8.370 nan 0.000 0.456 160 D N -0.732 119.615 120.400 -0.088 0.000 2.133 160 D HA -0.201 4.439 4.640 0.000 0.000 0.195 160 D C 1.729 177.891 176.300 -0.231 0.000 0.997 160 D CA 1.292 55.233 54.000 -0.099 0.000 0.840 160 D CB 0.054 40.846 40.800 -0.014 0.000 0.947 160 D HN 0.372 nan 8.370 nan 0.000 0.452 161 Q N -1.607 118.078 119.800 -0.192 0.000 2.392 161 Q HA 0.098 4.438 4.340 0.000 0.000 0.203 161 Q C 1.264 177.112 176.000 -0.253 0.000 0.917 161 Q CA 1.153 56.870 55.803 -0.143 0.000 0.939 161 Q CB 0.786 29.502 28.738 -0.037 0.000 1.063 161 Q HN 0.402 nan 8.270 nan 0.000 0.516 162 T N -4.441 109.886 114.554 -0.378 0.000 2.993 162 T HA 0.095 4.445 4.350 0.000 0.000 0.260 162 T C 0.740 175.264 174.700 -0.294 0.000 0.939 162 T CA -0.250 61.697 62.100 -0.256 0.000 0.886 162 T CB -0.020 68.784 68.868 -0.106 0.000 1.209 162 T HN -0.076 nan 8.240 nan 0.000 0.518 163 N N 0.634 119.102 118.700 -0.386 0.000 2.671 163 N HA 0.309 5.049 4.740 0.000 0.000 0.303 163 N C 0.046 175.432 175.510 -0.207 0.000 1.351 163 N CA -0.774 52.145 53.050 -0.219 0.000 0.991 163 N CB -0.470 37.942 38.487 -0.125 0.000 1.307 163 N HN 0.324 nan 8.380 nan 0.000 0.512 164 Y N 0.187 120.491 120.300 0.006 0.000 2.256 164 Y HA -0.251 4.299 4.550 0.000 0.000 0.288 164 Y C 2.294 178.156 175.900 -0.063 0.000 1.155 164 Y CA 1.290 59.378 58.100 -0.020 0.000 1.203 164 Y CB -0.453 38.013 38.460 0.011 0.000 0.980 164 Y HN 0.428 nan 8.280 nan 0.000 0.530 165 Q N 1.002 120.856 119.800 0.091 0.000 2.248 165 Q HA -0.225 4.115 4.340 0.000 0.000 0.208 165 Q C 1.998 177.991 176.000 -0.012 0.000 0.984 165 Q CA 2.153 57.974 55.803 0.031 0.000 0.875 165 Q CB -0.343 28.413 28.738 0.029 0.000 0.910 165 Q HN 0.566 nan 8.270 nan 0.000 0.433 166 R N 0.415 120.904 120.500 -0.018 0.000 2.098 166 R HA 0.018 4.358 4.340 0.000 0.000 0.203 166 R C 1.520 177.794 176.300 -0.043 0.000 1.166 166 R CA 0.847 56.929 56.100 -0.030 0.000 1.090 166 R CB -0.281 30.008 30.300 -0.019 0.000 0.992 166 R HN 0.470 nan 8.270 nan 0.000 0.477 167 N N 1.081 119.760 118.700 -0.034 0.000 2.573 167 N HA -0.115 4.625 4.740 0.000 0.000 0.187 167 N C 1.336 176.812 175.510 -0.056 0.000 1.107 167 N CA 0.928 53.965 53.050 -0.022 0.000 0.918 167 N CB -0.317 38.167 38.487 -0.005 0.000 0.966 167 N HN 0.381 nan 8.380 nan 0.000 0.448 168 L N -0.938 120.202 121.223 -0.139 0.000 2.552 168 L HA 0.136 4.476 4.340 0.000 0.000 0.227 168 L C 0.924 177.511 176.870 -0.470 0.000 1.146 168 L CA 0.455 55.058 54.840 -0.395 0.000 0.858 168 L CB -0.059 41.607 42.059 -0.655 0.000 0.969 168 L HN 0.203 nan 8.230 nan 0.000 0.451 169 S N -0.435 115.111 115.700 -0.256 0.000 2.559 169 S HA 0.193 4.663 4.470 0.000 0.000 0.226 169 S C 1.466 176.020 174.600 -0.078 0.000 1.000 169 S CA -0.273 57.816 58.200 -0.185 0.000 0.948 169 S CB 0.448 63.567 63.200 -0.135 0.000 0.870 169 S HN 0.451 nan 8.310 nan 0.000 0.497 170 I N -1.359 119.185 120.570 -0.043 0.000 4.070 170 I HA 0.440 4.610 4.170 0.000 0.000 0.328 170 I C 0.973 177.129 176.117 0.065 0.000 1.298 170 I CA -0.402 60.911 61.300 0.021 0.000 1.173 170 I CB -0.398 37.627 38.000 0.041 0.000 1.051 170 I HN 0.074 nan 8.210 nan 0.000 0.409 171 G N 2.537 111.377 108.800 0.067 0.000 2.272 171 G HA2 0.224 4.184 3.960 0.000 0.000 0.247 171 G HA3 0.224 4.184 3.960 0.000 0.000 0.247 171 G C -0.592 174.389 174.900 0.136 0.000 1.272 171 G CA 0.097 45.281 45.100 0.139 0.000 0.921 171 G HN 0.550 nan 8.290 nan 0.000 0.495 172 E N -0.033 120.264 120.200 0.162 0.000 2.314 172 E HA 0.540 4.890 4.350 0.000 0.000 0.272 172 E C -0.500 176.181 176.600 0.134 0.000 0.884 172 E CA -0.871 55.606 56.400 0.128 0.000 0.753 172 E CB 2.754 32.515 29.700 0.101 0.000 1.213 172 E HN 0.532 nan 8.360 nan 0.000 0.432 173 V N -1.307 118.675 119.914 0.113 0.000 3.181 173 V HA 0.665 4.785 4.120 0.000 0.000 0.308 173 V C -1.027 175.108 176.094 0.068 0.000 1.214 173 V CA -0.762 61.597 62.300 0.099 0.000 1.053 173 V CB 2.318 34.225 31.823 0.139 0.000 1.069 173 V HN 0.691 nan 8.190 nan 0.000 0.441 174 E N 0.284 120.528 120.200 0.073 0.000 2.317 174 E HA 0.740 5.090 4.350 0.000 0.000 0.270 174 E C -1.820 174.846 176.600 0.110 0.000 0.885 174 E CA -0.819 55.604 56.400 0.039 0.000 0.760 174 E CB 2.825 32.467 29.700 -0.095 0.000 1.227 174 E HN 0.654 nan 8.360 nan 0.000 0.434 175 V N 1.966 121.888 119.914 0.014 0.000 2.487 175 V HA 0.275 4.395 4.120 0.000 0.000 0.298 175 V C -0.458 175.605 176.094 -0.051 0.000 1.028 175 V CA -0.560 61.684 62.300 -0.093 0.000 0.860 175 V CB 1.651 33.205 31.823 -0.448 0.000 0.991 175 V HN 0.679 nan 8.190 nan 0.000 0.427 176 E N 3.274 123.504 120.200 0.050 0.000 2.795 176 E HA 0.275 4.625 4.350 0.000 0.000 0.226 176 E C 0.435 177.050 176.600 0.025 0.000 1.088 176 E CA -0.428 56.021 56.400 0.082 0.000 0.812 176 E CB 0.892 30.763 29.700 0.285 0.000 1.328 176 E HN 0.626 nan 8.360 nan 0.000 0.410 177 Q N 1.115 120.893 119.800 -0.038 0.000 2.119 177 Q HA -0.062 4.278 4.340 0.000 0.000 0.201 177 Q C -0.144 175.851 176.000 -0.009 0.000 0.972 177 Q CA 1.134 56.935 55.803 -0.003 0.000 0.847 177 Q CB 0.333 29.089 28.738 0.030 0.000 0.903 177 Q HN 0.540 nan 8.270 nan 0.000 0.433 178 D N 0.795 121.186 120.400 -0.015 0.000 2.930 178 D HA 0.254 4.894 4.640 0.000 0.000 0.304 178 D C 0.147 176.407 176.300 -0.066 0.000 1.298 178 D CA 0.021 53.999 54.000 -0.037 0.000 0.949 178 D CB 0.350 41.134 40.800 -0.026 0.000 1.013 178 D HN 0.056 nan 8.370 nan 0.000 0.510 179 G N 1.570 110.320 108.800 -0.082 0.000 2.588 179 G HA2 0.195 4.155 3.960 0.000 0.000 0.281 179 G HA3 0.195 4.155 3.960 0.000 0.000 0.281 179 G C -0.951 173.788 174.900 -0.269 0.000 1.236 179 G CA -0.771 44.234 45.100 -0.157 0.000 0.969 179 G HN 0.026 nan 8.290 nan 0.000 0.504 180 P HA -0.107 nan 4.420 nan 0.000 0.220 180 P C 0.454 177.350 177.300 -0.674 0.000 1.148 180 P CA 1.381 64.118 63.100 -0.604 0.000 0.803 180 P CB 0.206 31.421 31.700 -0.810 0.000 0.782 181 H N -2.154 116.833 119.070 -0.138 0.000 3.058 181 H HA 0.470 5.026 4.556 0.000 0.000 0.266 181 H C 1.278 176.533 175.328 -0.121 0.000 1.135 181 H CA 0.742 56.725 56.048 -0.109 0.000 1.174 181 H CB 1.452 31.162 29.762 -0.088 0.000 1.581 181 H HN 0.212 nan 8.280 nan 0.000 0.553 182 G N 0.218 108.978 108.800 -0.066 0.000 2.356 182 G HA2 0.025 3.986 3.960 0.000 0.000 0.266 182 G HA3 0.025 3.986 3.960 0.000 0.000 0.266 182 G C -1.309 173.507 174.900 -0.139 0.000 1.312 182 G CA -0.685 44.347 45.100 -0.113 0.000 0.922 182 G HN 0.079 nan 8.290 nan 0.000 0.480 183 S N -0.387 115.175 115.700 -0.230 0.000 2.585 183 S HA 0.846 5.316 4.470 0.000 0.000 0.277 183 S C 0.244 174.649 174.600 -0.326 0.000 1.241 183 S CA 0.363 58.411 58.200 -0.253 0.000 1.041 183 S CB 1.373 64.386 63.200 -0.311 0.000 0.987 183 S HN 1.836 nan 8.310 nan 0.000 0.512 184 A N 2.102 124.884 122.820 -0.063 0.000 2.549 184 A HA 0.797 5.117 4.320 0.000 0.000 0.297 184 A C -1.294 176.339 177.584 0.081 0.000 1.061 184 A CA -0.624 51.403 52.037 -0.018 0.000 0.690 184 A CB 0.933 19.847 19.000 -0.142 0.000 1.287 184 A HN 0.731 nan 8.150 nan 0.000 0.402 185 I N 1.038 121.636 120.570 0.046 0.000 2.509 185 I HA 0.422 4.592 4.170 0.000 0.000 0.293 185 I C -1.472 174.561 176.117 -0.140 0.000 1.020 185 I CA -0.518 60.822 61.300 0.067 0.000 1.088 185 I CB 1.925 40.049 38.000 0.208 0.000 1.267 185 I HN 0.676 nan 8.210 nan 0.000 0.430 186 Y N 4.104 124.421 120.300 0.029 0.000 2.328 186 Y HA 0.306 4.856 4.550 0.000 0.000 0.337 186 Y C 0.117 175.940 175.900 -0.127 0.000 0.966 186 Y CA -0.578 57.474 58.100 -0.079 0.000 1.136 186 Y CB 1.047 39.335 38.460 -0.287 0.000 1.170 186 Y HN 0.467 nan 8.280 nan 0.000 0.470 187 H N 5.221 124.134 119.070 -0.262 0.000 2.640 187 H HA 0.246 4.803 4.556 0.000 0.000 0.297 187 H C -0.265 175.017 175.328 -0.076 0.000 1.073 187 H CA -0.583 55.188 56.048 -0.462 0.000 1.305 187 H CB 0.820 29.776 29.762 -1.344 0.000 1.404 187 H HN 0.872 nan 8.280 nan 0.000 0.459 188 K N 3.172 123.433 120.400 -0.232 0.000 2.758 188 K HA 0.182 4.502 4.320 0.000 0.000 0.208 188 K C -0.478 176.099 176.600 -0.038 0.000 1.091 188 K CA -0.579 55.624 56.287 -0.141 0.000 1.059 188 K CB 0.466 32.842 32.500 -0.207 0.000 0.801 188 K HN 0.226 nan 8.250 nan 0.000 0.470 189 T N 2.851 117.296 114.554 -0.181 0.000 2.871 189 T HA -0.040 4.310 4.350 0.000 0.000 0.296 189 T C 0.167 174.965 174.700 0.164 0.000 0.998 189 T CA 0.638 62.769 62.100 0.051 0.000 1.162 189 T CB 0.238 69.172 68.868 0.110 0.000 0.947 189 T HN 0.569 nan 8.240 nan 0.000 0.536 190 E N 0.177 120.458 120.200 0.134 0.000 3.673 190 E HA -0.294 4.056 4.350 0.000 0.000 0.309 190 E C 0.231 176.860 176.600 0.047 0.000 0.819 190 E CA 0.691 57.146 56.400 0.092 0.000 1.111 190 E CB -1.471 28.282 29.700 0.087 0.000 1.561 190 E HN 0.865 nan 8.360 nan 0.000 0.450 191 Y N 1.535 121.799 120.300 -0.060 0.000 2.352 191 Y HA -0.110 4.440 4.550 0.000 0.000 0.292 191 Y C 2.498 178.440 175.900 0.070 0.000 1.136 191 Y CA 2.149 60.171 58.100 -0.130 0.000 1.227 191 Y CB 0.018 38.377 38.460 -0.168 0.000 0.991 191 Y HN 0.205 nan 8.280 nan 0.000 0.545 192 R N 0.557 121.250 120.500 0.321 0.000 2.189 192 R HA -0.108 4.232 4.340 0.000 0.000 0.223 192 R C 1.070 177.485 176.300 0.192 0.000 1.092 192 R CA 1.430 57.769 56.100 0.399 0.000 0.989 192 R CB -0.449 29.997 30.300 0.245 0.000 0.876 192 R HN 0.556 nan 8.270 nan 0.000 0.457 193 E N 0.430 120.677 120.200 0.077 0.000 3.700 193 E HA 0.177 4.527 4.350 0.000 0.000 0.357 193 E C 1.345 177.919 176.600 -0.044 0.000 0.577 193 E CA -0.791 55.624 56.400 0.024 0.000 1.888 193 E CB -0.155 29.559 29.700 0.023 0.000 2.230 193 E HN -0.039 nan 8.360 nan 0.000 0.479 194 R N 0.220 120.689 120.500 -0.051 0.000 2.280 194 R HA 0.148 4.488 4.340 0.000 0.000 0.207 194 R C 0.332 176.542 176.300 -0.152 0.000 1.043 194 R CA 0.290 56.345 56.100 -0.075 0.000 1.006 194 R CB -0.222 30.062 30.300 -0.028 0.000 0.885 194 R HN 0.141 nan 8.270 nan 0.000 0.467 195 R N 2.026 122.370 120.500 -0.261 0.000 2.340 195 R HA -0.000 4.340 4.340 0.000 0.000 0.300 195 R C 0.007 175.951 176.300 -0.594 0.000 1.069 195 R CA -0.102 55.683 56.100 -0.525 0.000 0.984 195 R CB 0.614 30.410 30.300 -0.839 0.000 1.003 195 R HN 0.141 nan 8.270 nan 0.000 0.459 196 D N 1.844 121.993 120.400 -0.419 0.000 2.388 196 D HA -0.021 4.619 4.640 0.000 0.000 0.221 196 D C -0.066 176.154 176.300 -0.132 0.000 1.133 196 D CA -0.010 53.803 54.000 -0.311 0.000 0.831 196 D CB 0.158 40.873 40.800 -0.141 0.000 0.962 196 D HN 0.575 nan 8.370 nan 0.000 0.502 197 H N -1.372 117.594 119.070 -0.173 0.000 2.928 197 H HA 0.558 5.114 4.556 0.000 0.000 0.371 197 H C -1.069 174.077 175.328 -0.302 0.000 1.186 197 H CA -1.007 54.779 56.048 -0.436 0.000 1.134 197 H CB 0.910 30.234 29.762 -0.729 0.000 1.824 197 H HN 0.058 nan 8.280 nan 0.000 0.554 198 Y N -0.520 119.622 120.300 -0.264 0.000 2.655 198 Y HA 0.793 5.343 4.550 0.000 0.000 0.336 198 Y C -1.551 174.441 175.900 0.154 0.000 1.154 198 Y CA -1.369 56.704 58.100 -0.044 0.000 1.055 198 Y CB 0.952 39.206 38.460 -0.343 0.000 1.295 198 Y HN 0.959 nan 8.280 nan 0.000 0.465 199 A N 1.114 124.282 122.820 0.580 0.000 2.340 199 A HA 0.807 5.127 4.320 0.000 0.000 0.331 199 A C -1.492 176.301 177.584 0.348 0.000 1.140 199 A CA -0.760 51.546 52.037 0.449 0.000 0.801 199 A CB 1.592 20.845 19.000 0.421 0.000 1.234 199 A HN 1.226 nan 8.150 nan 0.000 0.469 200 V N 1.793 121.878 119.914 0.284 0.000 2.769 200 V HA 0.829 4.949 4.120 0.000 0.000 0.312 200 V C -1.898 174.370 176.094 0.291 0.000 1.061 200 V CA -0.640 61.720 62.300 0.100 0.000 0.931 200 V CB 1.818 33.624 31.823 -0.028 0.000 1.010 200 V HN 0.934 nan 8.190 nan 0.000 0.433 201 F N 5.090 125.083 119.950 0.072 0.000 2.659 201 F HA 0.869 5.396 4.527 0.000 0.000 0.342 201 F C 0.036 175.945 175.800 0.182 0.000 1.168 201 F CA -0.177 57.926 58.000 0.172 0.000 1.003 201 F CB 1.405 40.559 39.000 0.257 0.000 1.267 201 F HN 0.719 nan 8.300 nan 0.000 0.463 202 G N 3.112 111.792 108.800 -0.201 0.000 2.733 202 G HA2 0.667 4.627 3.960 0.000 0.000 0.288 202 G HA3 0.667 4.627 3.960 0.000 0.000 0.288 202 G C -2.222 172.450 174.900 -0.379 0.000 1.373 202 G CA -0.984 43.954 45.100 -0.270 0.000 0.895 202 G HN 0.691 nan 8.290 nan 0.000 0.479 203 V N 0.094 119.736 119.914 -0.453 0.000 2.876 203 V HA 0.463 4.583 4.120 0.000 0.000 0.312 203 V C -0.354 175.520 176.094 -0.366 0.000 1.085 203 V CA -1.005 60.979 62.300 -0.527 0.000 0.945 203 V CB 2.139 33.561 31.823 -0.669 0.000 1.017 203 V HN 0.878 nan 8.190 nan 0.000 0.428 204 N N 3.141 121.646 118.700 -0.325 0.000 2.683 204 N HA 0.118 4.858 4.740 0.000 0.000 0.256 204 N C -0.286 175.125 175.510 -0.165 0.000 1.270 204 N CA 0.409 53.348 53.050 -0.185 0.000 0.954 204 N CB 0.206 38.608 38.487 -0.141 0.000 1.289 204 N HN 0.645 nan 8.380 nan 0.000 0.508 205 T N -0.911 113.527 114.554 -0.193 0.000 2.830 205 T HA 0.207 4.557 4.350 0.000 0.000 0.322 205 T C -1.630 172.984 174.700 -0.143 0.000 1.501 205 T CA -0.830 61.184 62.100 -0.144 0.000 1.036 205 T CB 1.265 70.049 68.868 -0.140 0.000 1.379 205 T HN 0.107 nan 8.240 nan 0.000 0.493 206 R N 2.505 122.949 120.500 -0.093 0.000 2.291 206 R HA 0.554 4.894 4.340 0.000 0.000 0.333 206 R C 0.248 176.521 176.300 -0.044 0.000 1.082 206 R CA -0.095 55.964 56.100 -0.068 0.000 0.948 206 R CB -0.285 29.991 30.300 -0.040 0.000 1.009 206 R HN 0.771 nan 8.270 nan 0.000 0.460 207 A N 3.747 126.543 122.820 -0.038 0.000 2.445 207 A HA 0.048 4.368 4.320 0.000 0.000 0.242 207 A C 0.803 178.440 177.584 0.088 0.000 1.075 207 A CA -0.170 51.890 52.037 0.037 0.000 0.777 207 A CB 0.301 19.383 19.000 0.137 0.000 1.013 207 A HN 0.759 nan 8.150 nan 0.000 0.493 208 D N 0.819 121.262 120.400 0.072 0.000 2.183 208 D HA 0.128 4.768 4.640 0.000 0.000 0.203 208 D C 0.943 177.316 176.300 0.122 0.000 0.969 208 D CA 1.833 55.874 54.000 0.068 0.000 0.842 208 D CB 0.239 41.051 40.800 0.019 0.000 0.957 208 D HN 0.719 nan 8.370 nan 0.000 0.484 209 G N -0.446 108.459 108.800 0.174 0.000 2.600 209 G HA2 0.493 4.453 3.960 0.000 0.000 0.293 209 G HA3 0.493 4.453 3.960 0.000 0.000 0.293 209 G C -1.613 173.496 174.900 0.348 0.000 1.408 209 G CA -0.808 44.418 45.100 0.210 0.000 0.782 209 G HN 0.110 nan 8.290 nan 0.000 0.482 210 F N -1.981 118.070 119.950 0.168 0.000 2.789 210 F HA 0.874 5.401 4.527 0.000 0.000 0.319 210 F C -1.768 174.112 175.800 0.135 0.000 1.168 210 F CA -1.215 56.853 58.000 0.113 0.000 0.934 210 F CB 2.055 41.097 39.000 0.070 0.000 1.375 210 F HN 0.408 nan 8.300 nan 0.000 0.480 211 D N -0.134 120.408 120.400 0.237 0.000 2.878 211 D HA 0.290 4.930 4.640 0.000 0.000 0.211 211 D C -0.534 175.907 176.300 0.235 0.000 1.271 211 D CA 0.001 54.111 54.000 0.183 0.000 0.845 211 D CB 2.430 43.384 40.800 0.257 0.000 1.679 211 D HN 0.859 nan 8.370 nan 0.000 0.536 212 T N -1.809 112.903 114.554 0.263 0.000 3.058 212 T HA 0.183 4.533 4.350 0.000 0.000 0.278 212 T C 0.078 174.894 174.700 0.193 0.000 0.974 212 T CA -0.246 61.992 62.100 0.229 0.000 0.893 212 T CB 0.554 69.585 68.868 0.273 0.000 1.138 212 T HN 0.160 nan 8.240 nan 0.000 0.529 213 D N 1.013 121.525 120.400 0.188 0.000 2.349 213 D HA 0.400 5.040 4.640 0.000 0.000 0.232 213 D C 1.231 177.657 176.300 0.210 0.000 1.071 213 D CA -0.803 53.307 54.000 0.184 0.000 0.832 213 D CB 1.516 42.403 40.800 0.145 0.000 1.086 213 D HN -0.009 nan 8.370 nan 0.000 0.504 214 R N 2.762 123.408 120.500 0.243 0.000 2.080 214 R HA -0.147 4.194 4.340 0.000 0.000 0.236 214 R C 0.698 177.141 176.300 0.238 0.000 1.137 214 R CA 1.522 57.797 56.100 0.292 0.000 0.943 214 R CB 0.046 30.532 30.300 0.309 0.000 0.846 214 R HN 0.581 nan 8.270 nan 0.000 0.431 215 D N -0.553 119.949 120.400 0.170 0.000 2.182 215 D HA -0.135 4.505 4.640 0.000 0.000 0.201 215 D C 1.679 177.971 176.300 -0.013 0.000 0.986 215 D CA 1.713 55.733 54.000 0.033 0.000 0.847 215 D CB -0.188 40.566 40.800 -0.077 0.000 0.942 215 D HN 0.334 nan 8.370 nan 0.000 0.467 216 T N 0.203 114.777 114.554 0.032 0.000 2.812 216 T HA -0.090 4.260 4.350 0.000 0.000 0.264 216 T C 1.692 176.399 174.700 0.011 0.000 1.042 216 T CA 0.342 62.443 62.100 0.001 0.000 1.140 216 T CB -0.328 68.556 68.868 0.026 0.000 0.870 216 T HN 0.110 nan 8.240 nan 0.000 0.445 217 F N 1.795 121.721 119.950 -0.039 0.000 2.113 217 F HA -0.075 4.452 4.527 0.000 0.000 0.297 217 F C 2.117 177.816 175.800 -0.167 0.000 1.103 217 F CA 0.945 58.902 58.000 -0.071 0.000 1.248 217 F CB -0.265 38.766 39.000 0.052 0.000 0.999 217 F HN -0.095 nan 8.300 nan 0.000 0.475 218 V N -0.101 119.805 119.914 -0.014 0.000 2.446 218 V HA 0.247 4.367 4.120 0.000 0.000 0.244 218 V C 1.084 177.047 176.094 -0.218 0.000 1.039 218 V CA 0.817 63.018 62.300 -0.164 0.000 1.045 218 V CB -1.247 30.561 31.823 -0.025 0.000 0.681 218 V HN 0.620 nan 8.190 nan 0.000 0.459 219 G N -0.098 108.599 108.800 -0.172 0.000 2.719 219 G HA2 0.237 4.197 3.960 0.000 0.000 0.686 219 G HA3 0.237 4.197 3.960 0.000 0.000 0.686 219 G C -0.239 174.512 174.900 -0.247 0.000 1.201 219 G CA -0.620 44.358 45.100 -0.203 0.000 0.768 219 G HN 1.027 nan 8.290 nan 0.000 0.629 220 A N 1.740 124.337 122.820 -0.370 0.000 2.531 220 A HA 0.600 4.920 4.320 0.000 0.000 0.236 220 A C 1.101 178.280 177.584 -0.676 0.000 1.062 220 A CA 1.561 53.169 52.037 -0.715 0.000 0.760 220 A CB -0.373 17.945 19.000 -1.136 0.000 0.995 220 A HN 2.170 nan 8.150 nan 0.000 0.501 221 Y N -1.079 119.176 120.300 -0.076 0.000 4.899 221 Y HA -0.230 4.320 4.550 0.000 0.000 0.241 221 Y C 0.409 176.260 175.900 -0.081 0.000 0.976 221 Y CA 0.599 58.655 58.100 -0.073 0.000 1.952 221 Y CB -2.472 35.947 38.460 -0.069 0.000 1.496 221 Y HN 0.699 nan 8.280 nan 0.000 0.545 222 N N 0.723 119.400 118.700 -0.039 0.000 2.456 222 N HA 0.560 5.300 4.740 0.000 0.000 0.296 222 N C 0.226 175.689 175.510 -0.079 0.000 1.102 222 N CA 0.055 53.066 53.050 -0.065 0.000 0.924 222 N CB 1.660 40.078 38.487 -0.115 0.000 1.186 222 N HN 0.281 nan 8.380 nan 0.000 0.492 223 S N 0.168 115.818 115.700 -0.083 0.000 2.707 223 S HA 0.379 4.849 4.470 0.000 0.000 0.276 223 S C 1.497 176.036 174.600 -0.102 0.000 1.179 223 S CA -0.739 57.409 58.200 -0.086 0.000 0.992 223 S CB 0.541 63.687 63.200 -0.089 0.000 1.030 223 S HN 0.467 nan 8.310 nan 0.000 0.554 224 L N 0.519 121.689 121.223 -0.089 0.000 2.191 224 L HA 0.009 4.349 4.340 0.000 0.000 0.212 224 L C 2.609 179.431 176.870 -0.081 0.000 1.103 224 L CA 1.330 56.118 54.840 -0.086 0.000 0.769 224 L CB -1.128 40.908 42.059 -0.037 0.000 0.908 224 L HN 0.996 nan 8.230 nan 0.000 0.438 225 G N -0.393 108.328 108.800 -0.131 0.000 2.598 225 G HA2 -0.139 3.821 3.960 0.000 0.000 0.215 225 G HA3 -0.139 3.821 3.960 0.000 0.000 0.215 225 G C 1.028 175.857 174.900 -0.117 0.000 1.131 225 G CA 0.139 45.148 45.100 -0.151 0.000 0.785 225 G HN 0.480 nan 8.290 nan 0.000 0.539 226 E N 0.113 120.234 120.200 -0.132 0.000 2.651 226 E HA 0.430 4.780 4.350 0.000 0.000 0.208 226 E C 0.713 177.175 176.600 -0.229 0.000 0.997 226 E CA -0.505 55.804 56.400 -0.152 0.000 1.020 226 E CB 0.933 30.560 29.700 -0.122 0.000 1.052 226 E HN 0.263 nan 8.360 nan 0.000 0.465 227 A N 1.137 123.770 122.820 -0.311 0.000 2.573 227 A HA -0.044 4.276 4.320 0.000 0.000 0.250 227 A C 1.343 178.565 177.584 -0.603 0.000 1.049 227 A CA 0.281 51.995 52.037 -0.539 0.000 0.767 227 A CB 0.203 18.665 19.000 -0.897 0.000 0.965 227 A HN 0.215 nan 8.150 nan 0.000 0.514 228 S N 2.097 117.481 115.700 -0.527 0.000 2.356 228 S HA -0.142 4.328 4.470 0.000 0.000 0.223 228 S C 1.966 176.231 174.600 -0.558 0.000 1.032 228 S CA 1.345 59.279 58.200 -0.443 0.000 1.005 228 S CB -0.371 62.637 63.200 -0.319 0.000 0.867 228 S HN 0.604 nan 8.310 nan 0.000 0.449 229 V N 2.840 122.277 119.914 -0.795 0.000 2.233 229 V HA -0.144 3.976 4.120 0.000 0.000 0.247 229 V C -0.697 174.811 176.094 -0.977 0.000 1.050 229 V CA 1.964 63.783 62.300 -0.802 0.000 1.010 229 V CB -1.658 29.602 31.823 -0.938 0.000 0.637 229 V HN 0.329 nan 8.190 nan 0.000 0.444 230 P HA -0.144 nan 4.420 nan 0.000 0.216 230 P C 1.706 178.607 177.300 -0.664 0.000 1.150 230 P CA 1.447 63.692 63.100 -1.425 0.000 0.837 230 P CB -0.098 30.907 31.700 -1.159 0.000 0.786 231 R N -0.660 119.540 120.500 -0.499 0.000 2.115 231 R HA -0.013 4.327 4.340 0.000 0.000 0.230 231 R C 2.216 178.397 176.300 -0.200 0.000 1.111 231 R CA 1.411 57.349 56.100 -0.270 0.000 0.976 231 R CB -0.846 29.310 30.300 -0.240 0.000 0.870 231 R HN 0.140 nan 8.270 nan 0.000 0.445 232 A N -0.271 122.401 122.820 -0.246 0.000 2.066 232 A HA 0.102 4.422 4.320 0.000 0.000 0.218 232 A C 1.639 179.187 177.584 -0.060 0.000 1.157 232 A CA 1.187 53.137 52.037 -0.144 0.000 0.670 232 A CB -0.275 18.629 19.000 -0.159 0.000 0.804 232 A HN 0.468 nan 8.150 nan 0.000 0.453 233 G N -0.928 107.844 108.800 -0.047 0.000 2.157 233 G HA2 -0.249 3.711 3.960 0.000 0.000 0.248 233 G HA3 -0.249 3.711 3.960 0.000 0.000 0.248 233 G C 0.040 175.157 174.900 0.362 0.000 0.979 233 G CA 0.652 45.866 45.100 0.189 0.000 0.650 233 G HN 1.249 nan 8.290 nan 0.000 0.529 234 K N -0.777 119.795 120.400 0.286 0.000 2.562 234 K HA 0.669 4.989 4.320 0.000 0.000 0.267 234 K C -0.277 176.480 176.600 0.263 0.000 0.938 234 K CA -0.634 55.831 56.287 0.298 0.000 0.840 234 K CB 1.088 33.663 32.500 0.124 0.000 1.390 234 K HN 0.105 nan 8.250 nan 0.000 0.428 235 S N 0.451 116.331 115.700 0.300 0.000 2.576 235 S HA 0.197 4.667 4.470 0.000 0.000 0.272 235 S C 0.897 175.502 174.600 0.008 0.000 1.352 235 S CA 0.003 58.317 58.200 0.191 0.000 1.021 235 S CB 1.114 64.399 63.200 0.141 0.000 0.887 235 S HN 0.718 nan 8.310 nan 0.000 0.542 236 A N 0.942 123.733 122.820 -0.048 0.000 2.308 236 A HA 0.259 4.579 4.320 0.000 0.000 0.217 236 A C 0.148 177.600 177.584 -0.221 0.000 1.216 236 A CA -0.188 51.789 52.037 -0.100 0.000 0.864 236 A CB -0.236 18.725 19.000 -0.066 0.000 0.902 236 A HN 0.783 nan 8.150 nan 0.000 0.499 237 D N 0.961 121.072 120.400 -0.482 0.000 2.701 237 D HA -0.138 4.502 4.640 0.000 0.000 0.235 237 D C 0.281 176.236 176.300 -0.575 0.000 1.155 237 D CA 1.329 54.631 54.000 -1.163 0.000 0.649 237 D CB -1.840 38.516 40.800 -0.740 0.000 1.050 237 D HN 0.665 nan 8.370 nan 0.000 0.425 238 S N -1.729 113.827 115.700 -0.241 0.000 2.548 238 S HA 0.461 4.931 4.470 0.000 0.000 0.277 238 S C 0.230 174.973 174.600 0.239 0.000 1.315 238 S CA -0.782 57.440 58.200 0.036 0.000 1.050 238 S CB 2.432 65.672 63.200 0.067 0.000 0.918 238 S HN 0.056 nan 8.310 nan 0.000 0.497 239 V N 2.870 122.924 119.914 0.232 0.000 2.350 239 V HA 0.628 4.748 4.120 0.000 0.000 0.285 239 V C 0.676 176.880 176.094 0.183 0.000 1.014 239 V CA -0.707 61.747 62.300 0.257 0.000 0.831 239 V CB 0.632 32.594 31.823 0.232 0.000 1.000 239 V HN 1.190 nan 8.190 nan 0.000 0.433 240 A N 3.703 126.635 122.820 0.187 0.000 2.445 240 A HA 0.601 4.921 4.320 0.000 0.000 0.242 240 A C 0.498 178.173 177.584 0.152 0.000 1.075 240 A CA 0.066 52.206 52.037 0.171 0.000 0.777 240 A CB 0.667 19.777 19.000 0.184 0.000 1.013 240 A HN 0.954 nan 8.150 nan 0.000 0.493 241 S N 1.224 117.018 115.700 0.157 0.000 2.496 241 S HA 0.553 5.024 4.470 0.000 0.000 0.221 241 S C 0.194 174.875 174.600 0.135 0.000 1.260 241 S CA 0.815 59.094 58.200 0.132 0.000 1.181 241 S CB -0.701 62.572 63.200 0.122 0.000 1.136 241 S HN 2.756 nan 8.310 nan 0.000 0.467 242 G N 3.503 112.352 108.800 0.082 0.000 2.642 242 G HA2 -0.177 3.783 3.960 0.000 0.000 0.231 242 G HA3 -0.177 3.783 3.960 0.000 0.000 0.231 242 G C 0.097 175.004 174.900 0.012 0.000 1.338 242 G CA 0.291 45.373 45.100 -0.030 0.000 0.883 242 G HN 1.201 nan 8.290 nan 0.000 0.570 243 W N -2.778 118.401 121.300 -0.201 0.000 2.152 243 W HA -0.212 4.448 4.660 0.000 0.000 0.285 243 W C 0.650 176.842 176.519 -0.544 0.000 1.275 243 W CA 2.125 59.142 57.345 -0.547 0.000 1.220 243 W CB -1.456 27.729 29.460 -0.458 0.000 0.889 243 W HN 0.916 nan 8.180 nan 0.000 0.529 244 Y N 0.801 121.320 120.300 0.364 0.000 2.575 244 Y HA 0.501 5.051 4.550 0.000 0.000 0.326 244 Y C -2.079 173.908 175.900 0.145 0.000 0.979 244 Y CA -3.011 55.213 58.100 0.206 0.000 1.286 244 Y CB -0.010 38.557 38.460 0.179 0.000 1.093 244 Y HN -0.335 nan 8.280 nan 0.000 0.501 245 P HA 0.231 nan 4.420 nan 0.000 0.271 245 P C -0.234 177.168 177.300 0.170 0.000 1.216 245 P CA 0.039 63.250 63.100 0.185 0.000 0.776 245 P CB 0.889 32.650 31.700 0.101 0.000 0.881 246 I N -1.000 119.647 120.570 0.128 0.000 3.264 246 I HA 0.896 5.066 4.170 0.000 0.000 0.315 246 I C -0.555 175.487 176.117 -0.125 0.000 1.154 246 I CA -1.344 59.806 61.300 -0.250 0.000 0.962 246 I CB 2.390 40.154 38.000 -0.393 0.000 1.265 246 I HN 0.312 nan 8.210 nan 0.000 0.463 247 G N 0.824 109.290 108.800 -0.556 0.000 2.557 247 G HA2 0.592 4.552 3.960 0.000 0.000 0.310 247 G HA3 0.592 4.552 3.960 0.000 0.000 0.310 247 G C -1.327 173.526 174.900 -0.078 0.000 1.328 247 G CA -0.487 44.548 45.100 -0.109 0.000 0.945 247 G HN 0.747 nan 8.290 nan 0.000 0.494 248 S N 1.972 117.685 115.700 0.021 0.000 2.562 248 S HA 0.587 5.057 4.470 0.000 0.000 0.274 248 S C -1.460 173.115 174.600 -0.041 0.000 1.160 248 S CA -0.715 57.516 58.200 0.051 0.000 0.933 248 S CB 0.879 64.003 63.200 -0.127 0.000 1.100 248 S HN 0.737 nan 8.310 nan 0.000 0.468 249 H N 1.085 120.343 119.070 0.314 0.000 2.690 249 H HA 0.672 5.228 4.556 0.000 0.000 0.368 249 H C -0.430 175.020 175.328 0.203 0.000 1.150 249 H CA -0.624 55.579 56.048 0.258 0.000 1.174 249 H CB 2.020 31.885 29.762 0.172 0.000 1.684 249 H HN 0.631 nan 8.280 nan 0.000 0.538 250 S N 1.581 117.413 115.700 0.220 0.000 2.472 250 S HA 0.716 5.186 4.470 0.000 0.000 0.303 250 S C -0.955 173.600 174.600 -0.075 0.000 1.099 250 S CA -0.745 57.390 58.200 -0.109 0.000 1.077 250 S CB 1.369 64.391 63.200 -0.297 0.000 1.031 250 S HN 0.322 nan 8.310 nan 0.000 0.487 251 V N 1.921 121.748 119.914 -0.145 0.000 2.524 251 V HA 0.728 4.849 4.120 0.000 0.000 0.297 251 V C 0.130 176.163 176.094 -0.102 0.000 1.035 251 V CA -0.739 61.516 62.300 -0.075 0.000 0.867 251 V CB 1.368 33.179 31.823 -0.020 0.000 1.004 251 V HN 1.222 nan 8.190 nan 0.000 0.426 252 A N 4.720 127.495 122.820 -0.074 0.000 2.331 252 A HA 0.861 5.181 4.320 0.000 0.000 0.283 252 A C -0.207 177.366 177.584 -0.018 0.000 1.142 252 A CA -0.360 51.648 52.037 -0.048 0.000 0.812 252 A CB 1.103 20.086 19.000 -0.029 0.000 1.074 252 A HN 1.577 nan 8.150 nan 0.000 0.497 253 V N 0.039 119.952 119.914 -0.000 0.000 2.876 253 V HA 0.894 5.014 4.120 0.000 0.000 0.312 253 V C -0.365 175.744 176.094 0.025 0.000 1.085 253 V CA -0.396 61.911 62.300 0.012 0.000 0.945 253 V CB 1.733 33.568 31.823 0.020 0.000 1.017 253 V HN 0.729 nan 8.190 nan 0.000 0.428 254 T N 5.742 120.311 114.554 0.024 0.000 2.840 254 T HA 0.739 5.089 4.350 0.000 0.000 0.287 254 T C -0.666 174.052 174.700 0.030 0.000 0.991 254 T CA -0.241 61.877 62.100 0.030 0.000 0.964 254 T CB 0.956 69.838 68.868 0.024 0.000 0.954 254 T HN 0.704 nan 8.240 nan 0.000 0.438 255 L N 3.037 124.284 121.223 0.039 0.000 2.385 255 L HA 0.493 4.833 4.340 0.000 0.000 0.273 255 L C 0.256 177.148 176.870 0.037 0.000 0.990 255 L CA -1.003 53.860 54.840 0.038 0.000 0.821 255 L CB 2.233 44.320 42.059 0.048 0.000 1.279 255 L HN 0.459 nan 8.230 nan 0.000 0.412 256 Q N 2.517 122.335 119.800 0.030 0.000 2.382 256 Q HA 0.285 4.625 4.340 0.000 0.000 0.229 256 Q C -2.265 173.753 176.000 0.031 0.000 1.006 256 Q CA -1.754 54.066 55.803 0.028 0.000 0.916 256 Q CB 0.642 29.393 28.738 0.022 0.000 1.235 256 Q HN 0.297 nan 8.270 nan 0.000 0.512 257 P HA -0.109 nan 4.420 nan 0.000 0.262 257 P C 0.290 177.607 177.300 0.029 0.000 1.182 257 P CA 1.423 64.541 63.100 0.031 0.000 0.761 257 P CB 0.257 31.973 31.700 0.026 0.000 0.795 258 G N 1.738 110.557 108.800 0.033 0.000 2.212 258 G HA2 -0.302 3.658 3.960 0.000 0.000 0.266 258 G HA3 -0.302 3.658 3.960 0.000 0.000 0.266 258 G C 0.264 175.181 174.900 0.029 0.000 0.978 258 G CA 0.128 45.246 45.100 0.029 0.000 0.632 258 G HN 0.623 nan 8.290 nan 0.000 0.537 259 E N 1.005 121.223 120.200 0.031 0.000 2.343 259 E HA 0.569 4.919 4.350 0.000 0.000 0.269 259 E C 0.598 177.219 176.600 0.035 0.000 1.047 259 E CA 0.180 56.597 56.400 0.028 0.000 0.874 259 E CB 0.641 30.357 29.700 0.026 0.000 1.033 259 E HN 0.549 nan 8.360 nan 0.000 0.409 260 S N 3.263 118.980 115.700 0.029 0.000 2.671 260 S HA 0.753 5.224 4.470 0.000 0.000 0.299 260 S C -0.771 173.844 174.600 0.026 0.000 1.116 260 S CA -1.111 57.110 58.200 0.034 0.000 0.912 260 S CB 2.097 65.316 63.200 0.032 0.000 1.130 260 S HN 0.542 nan 8.310 nan 0.000 0.501 261 R N 0.415 120.932 120.500 0.029 0.000 2.604 261 R HA 0.622 4.963 4.340 0.000 0.000 0.281 261 R C -2.299 174.012 176.300 0.018 0.000 1.020 261 R CA -0.192 55.919 56.100 0.018 0.000 0.899 261 R CB 1.479 31.790 30.300 0.018 0.000 1.205 261 R HN 0.713 nan 8.270 nan 0.000 0.450 262 D N 3.060 123.462 120.400 0.003 0.000 2.181 262 D HA 0.513 5.153 4.640 0.000 0.000 0.248 262 D C -0.706 175.575 176.300 -0.031 0.000 1.020 262 D CA -0.102 53.898 54.000 -0.001 0.000 0.891 262 D CB 1.483 42.279 40.800 -0.006 0.000 1.187 262 D HN 0.401 nan 8.370 nan 0.000 0.443 263 L N 1.251 122.452 121.223 -0.036 0.000 2.464 263 L HA 0.462 4.802 4.340 0.000 0.000 0.266 263 L C -1.094 175.663 176.870 -0.189 0.000 0.965 263 L CA -0.962 53.782 54.840 -0.160 0.000 0.833 263 L CB 2.348 44.324 42.059 -0.139 0.000 1.296 263 L HN 0.013 nan 8.230 nan 0.000 0.405 264 V N 2.970 122.702 119.914 -0.303 0.000 2.378 264 V HA 0.432 4.552 4.120 0.000 0.000 0.288 264 V C -0.923 174.964 176.094 -0.344 0.000 1.016 264 V CA -0.589 61.602 62.300 -0.182 0.000 0.840 264 V CB 1.233 33.023 31.823 -0.055 0.000 0.994 264 V HN 0.404 nan 8.190 nan 0.000 0.431 265 Y N 3.171 123.413 120.300 -0.097 0.000 2.420 265 Y HA 0.750 5.300 4.550 0.000 0.000 0.334 265 Y C 0.078 175.904 175.900 -0.124 0.000 1.094 265 Y CA -1.011 56.993 58.100 -0.161 0.000 1.126 265 Y CB 2.001 40.369 38.460 -0.154 0.000 1.217 265 Y HN 0.342 nan 8.280 nan 0.000 0.462 266 V N 4.038 123.955 119.914 0.005 0.000 2.577 266 V HA 0.354 4.474 4.120 0.000 0.000 0.303 266 V C -1.297 174.902 176.094 0.175 0.000 1.042 266 V CA -0.766 61.538 62.300 0.008 0.000 0.872 266 V CB 2.029 33.818 31.823 -0.057 0.000 0.998 266 V HN 0.537 nan 8.190 nan 0.000 0.423 267 L N 4.735 126.093 121.223 0.224 0.000 2.294 267 L HA 0.952 5.292 4.340 0.000 0.000 0.283 267 L C 0.207 177.162 176.870 0.142 0.000 1.015 267 L CA 0.375 55.425 54.840 0.350 0.000 0.831 267 L CB 1.023 43.282 42.059 0.334 0.000 1.217 267 L HN 0.733 nan 8.230 nan 0.000 0.420 268 G N 3.180 112.071 108.800 0.152 0.000 2.533 268 G HA2 0.410 4.370 3.960 0.000 0.000 0.304 268 G HA3 0.410 4.370 3.960 0.000 0.000 0.304 268 G C -2.202 172.800 174.900 0.169 0.000 1.263 268 G CA -0.550 44.565 45.100 0.024 0.000 0.964 268 G HN 0.520 nan 8.290 nan 0.000 0.479 269 Y N 1.902 122.187 120.300 -0.026 0.000 2.331 269 Y HA 0.680 5.230 4.550 0.000 0.000 0.338 269 Y C -1.028 174.763 175.900 -0.182 0.000 0.976 269 Y CA -1.123 57.006 58.100 0.048 0.000 1.137 269 Y CB 0.985 39.529 38.460 0.140 0.000 1.172 269 Y HN 0.240 nan 8.280 nan 0.000 0.478 270 L N 5.585 126.293 121.223 -0.857 0.000 2.341 270 L HA 0.571 4.911 4.340 0.000 0.000 0.267 270 L C -0.667 175.573 176.870 -1.051 0.000 1.009 270 L CA -1.049 53.270 54.840 -0.868 0.000 0.819 270 L CB 2.010 43.534 42.059 -0.892 0.000 1.323 270 L HN 0.725 nan 8.230 nan 0.000 0.425 271 E N 1.301 121.113 120.200 -0.647 0.000 2.343 271 E HA 0.494 4.844 4.350 0.000 0.000 0.270 271 E C -1.130 175.315 176.600 -0.258 0.000 0.895 271 E CA -0.760 55.389 56.400 -0.417 0.000 0.767 271 E CB 2.810 32.357 29.700 -0.255 0.000 1.248 271 E HN 0.454 nan 8.360 nan 0.000 0.440 272 N N 1.639 120.241 118.700 -0.163 0.000 2.225 272 N HA 0.419 5.159 4.740 0.000 0.000 0.298 272 N C -2.767 172.682 175.510 -0.102 0.000 1.076 272 N CA -1.664 51.320 53.050 -0.110 0.000 0.792 272 N CB 2.041 40.485 38.487 -0.070 0.000 1.498 272 N HN 0.155 nan 8.380 nan 0.000 0.474 273 P HA 0.125 nan 4.420 nan 0.000 0.269 273 P C 0.129 177.377 177.300 -0.088 0.000 1.209 273 P CA -0.034 63.029 63.100 -0.063 0.000 0.776 273 P CB 0.800 32.477 31.700 -0.039 0.000 0.876 274 D N 1.166 121.519 120.400 -0.079 0.000 2.149 274 D HA -0.198 4.442 4.640 0.000 0.000 0.194 274 D C 1.323 177.584 176.300 -0.066 0.000 1.001 274 D CA 1.488 55.433 54.000 -0.092 0.000 0.849 274 D CB -0.141 40.629 40.800 -0.050 0.000 0.939 274 D HN 0.467 nan 8.370 nan 0.000 0.449 275 E N -0.021 120.163 120.200 -0.026 0.000 2.511 275 E HA -0.054 4.296 4.350 0.000 0.000 0.196 275 E C 0.818 177.419 176.600 0.002 0.000 1.066 275 E CA 0.435 56.841 56.400 0.010 0.000 0.871 275 E CB 0.195 29.908 29.700 0.023 0.000 0.863 275 E HN 0.303 nan 8.360 nan 0.000 0.520 276 E N -0.152 120.022 120.200 -0.043 0.000 2.693 276 E HA 0.140 4.490 4.350 0.000 0.000 0.214 276 E C 1.021 177.554 176.600 -0.111 0.000 0.990 276 E CA -0.028 56.344 56.400 -0.046 0.000 1.047 276 E CB 0.368 30.046 29.700 -0.037 0.000 1.039 276 E HN -0.004 nan 8.360 nan 0.000 0.475 277 K N -0.612 119.650 120.400 -0.230 0.000 2.097 277 K HA -0.048 4.272 4.320 0.000 0.000 0.205 277 K C -0.247 175.977 176.600 -0.628 0.000 1.050 277 K CA 0.912 56.896 56.287 -0.504 0.000 0.938 277 K CB 0.187 32.110 32.500 -0.962 0.000 0.718 277 K HN 0.083 nan 8.250 nan 0.000 0.442 278 W N -0.856 120.378 121.300 -0.109 0.000 2.606 278 W HA 0.400 5.060 4.660 0.000 0.000 0.332 278 W C 0.728 177.226 176.519 -0.035 0.000 1.052 278 W CA -0.836 56.464 57.345 -0.075 0.000 1.223 278 W CB 1.091 30.444 29.460 -0.178 0.000 1.383 278 W HN -0.134 nan 8.180 nan 0.000 0.524 279 A N 1.160 124.094 122.820 0.191 0.000 2.016 279 A HA -0.054 4.266 4.320 0.000 0.000 0.217 279 A C 0.530 178.189 177.584 0.125 0.000 1.162 279 A CA 1.189 53.282 52.037 0.094 0.000 0.662 279 A CB -0.667 18.345 19.000 0.020 0.000 0.812 279 A HN 0.613 nan 8.150 nan 0.000 0.450 280 D N -1.868 118.644 120.400 0.187 0.000 2.299 280 D HA 0.285 4.925 4.640 0.000 0.000 0.243 280 D C -0.611 175.799 176.300 0.184 0.000 0.982 280 D CA -0.691 53.392 54.000 0.138 0.000 0.924 280 D CB 0.624 41.476 40.800 0.087 0.000 1.238 280 D HN -0.107 nan 8.370 nan 0.000 0.484 281 D N 0.577 121.035 120.400 0.095 0.000 2.178 281 D HA -0.071 4.569 4.640 0.000 0.000 0.201 281 D C 1.724 177.978 176.300 -0.076 0.000 0.980 281 D CA 1.504 55.531 54.000 0.047 0.000 0.842 281 D CB -0.246 40.549 40.800 -0.008 0.000 0.948 281 D HN 0.595 nan 8.370 nan 0.000 0.472 282 A N -0.214 122.562 122.820 -0.074 0.000 2.206 282 A HA -0.082 4.238 4.320 0.000 0.000 0.211 282 A C 0.048 177.488 177.584 -0.241 0.000 1.158 282 A CA 0.340 52.273 52.037 -0.173 0.000 0.761 282 A CB -0.830 18.102 19.000 -0.113 0.000 0.801 282 A HN 0.470 nan 8.150 nan 0.000 0.473 283 H N -1.518 117.316 119.070 -0.393 0.000 2.748 283 H HA -0.135 4.422 4.556 0.000 0.000 0.322 283 H C 0.330 174.984 175.328 -1.123 0.000 1.208 283 H CA 0.377 55.805 56.048 -1.034 0.000 1.151 283 H CB -0.745 28.197 29.762 -1.366 0.000 1.505 283 H HN 0.583 nan 8.280 nan 0.000 0.429 284 Q N -0.562 119.065 119.800 -0.290 0.000 2.288 284 Q HA 0.213 4.553 4.340 0.000 0.000 0.256 284 Q C 0.576 176.687 176.000 0.185 0.000 0.835 284 Q CA 0.446 56.178 55.803 -0.118 0.000 0.958 284 Q CB 1.566 30.263 28.738 -0.068 0.000 1.125 284 Q HN 0.250 nan 8.270 nan 0.000 0.513 285 V N 2.661 122.755 119.914 0.300 0.000 2.448 285 V HA 0.314 4.434 4.120 0.000 0.000 0.295 285 V C 0.300 176.554 176.094 0.266 0.000 1.025 285 V CA -1.182 61.247 62.300 0.215 0.000 0.859 285 V CB 1.728 33.593 31.823 0.071 0.000 0.988 285 V HN 0.085 nan 8.190 nan 0.000 0.431 286 V N 2.237 122.115 119.914 -0.061 0.000 2.740 286 V HA 0.343 4.463 4.120 0.000 0.000 0.303 286 V C 0.483 176.363 176.094 -0.357 0.000 1.054 286 V CA -0.414 61.657 62.300 -0.381 0.000 1.106 286 V CB 0.909 32.153 31.823 -0.965 0.000 0.957 286 V HN 0.894 nan 8.190 nan 0.000 0.486 287 N N 3.756 122.306 118.700 -0.250 0.000 2.416 287 N HA 0.147 4.887 4.740 0.000 0.000 0.265 287 N C 0.439 175.816 175.510 -0.221 0.000 1.195 287 N CA 0.133 53.080 53.050 -0.172 0.000 0.943 287 N CB 0.755 39.189 38.487 -0.088 0.000 1.115 287 N HN 0.813 nan 8.380 nan 0.000 0.481 288 K N 2.789 122.980 120.400 -0.348 0.000 2.417 288 K HA 0.173 4.493 4.320 0.000 0.000 0.196 288 K C 1.536 177.899 176.600 -0.395 0.000 1.023 288 K CA 0.155 56.176 56.287 -0.443 0.000 1.122 288 K CB 0.276 32.293 32.500 -0.805 0.000 0.850 288 K HN 0.577 nan 8.250 nan 0.000 0.521 289 A N 3.315 126.006 122.820 -0.215 0.000 1.881 289 A HA -0.177 4.143 4.320 0.000 0.000 0.219 289 A C -0.309 177.268 177.584 -0.011 0.000 1.215 289 A CA 1.674 53.660 52.037 -0.084 0.000 0.648 289 A CB -1.549 17.432 19.000 -0.033 0.000 0.832 289 A HN 0.198 nan 8.150 nan 0.000 0.455 290 P HA -0.108 nan 4.420 nan 0.000 0.220 290 P C 1.460 178.788 177.300 0.048 0.000 1.148 290 P CA 1.878 64.976 63.100 -0.004 0.000 0.803 290 P CB -0.150 31.504 31.700 -0.077 0.000 0.782 291 A N -0.129 122.759 122.820 0.113 0.000 1.897 291 A HA -0.165 4.155 4.320 0.000 0.000 0.215 291 A C 2.130 179.875 177.584 0.268 0.000 1.181 291 A CA 1.150 53.316 52.037 0.216 0.000 0.620 291 A CB -1.822 17.450 19.000 0.452 0.000 0.821 291 A HN 0.252 nan 8.150 nan 0.000 0.443 292 H N -0.770 118.405 119.070 0.174 0.000 2.387 292 H HA -0.016 4.540 4.556 0.000 0.000 0.299 292 H C 2.494 177.924 175.328 0.171 0.000 1.090 292 H CA 0.606 56.758 56.048 0.173 0.000 1.332 292 H CB 0.083 29.915 29.762 0.116 0.000 1.386 292 H HN 0.571 nan 8.280 nan 0.000 0.516 293 A N 1.153 124.109 122.820 0.227 0.000 1.873 293 A HA -0.142 4.178 4.320 0.000 0.000 0.215 293 A C 2.275 179.901 177.584 0.070 0.000 1.186 293 A CA 1.166 53.276 52.037 0.123 0.000 0.616 293 A CB -0.620 18.422 19.000 0.070 0.000 0.823 293 A HN 0.304 nan 8.150 nan 0.000 0.442 294 L N 0.039 121.315 121.223 0.088 0.000 1.989 294 L HA -0.131 4.209 4.340 0.000 0.000 0.211 294 L C 2.265 179.201 176.870 0.110 0.000 1.071 294 L CA 1.875 56.771 54.840 0.093 0.000 0.749 294 L CB -0.669 41.435 42.059 0.074 0.000 0.890 294 L HN 0.399 nan 8.230 nan 0.000 0.431 295 L N -0.547 120.739 121.223 0.106 0.000 2.187 295 L HA -0.137 4.203 4.340 0.000 0.000 0.213 295 L C 2.455 179.219 176.870 -0.177 0.000 1.100 295 L CA 1.115 55.990 54.840 0.060 0.000 0.765 295 L CB -1.289 40.856 42.059 0.144 0.000 0.904 295 L HN 0.509 nan 8.230 nan 0.000 0.437 296 G N -0.419 108.187 108.800 -0.323 0.000 2.448 296 G HA2 -0.172 3.788 3.960 0.000 0.000 0.218 296 G HA3 -0.172 3.788 3.960 0.000 0.000 0.218 296 G C 1.700 176.332 174.900 -0.447 0.000 1.135 296 G CA 0.045 44.656 45.100 -0.816 0.000 0.784 296 G HN 0.295 nan 8.290 nan 0.000 0.543 297 R N -0.913 119.406 120.500 -0.303 0.000 2.307 297 R HA 0.131 4.471 4.340 0.000 0.000 0.199 297 R C 0.013 175.785 176.300 -0.879 0.000 1.000 297 R CA 0.335 56.136 56.100 -0.498 0.000 1.023 297 R CB 0.014 30.039 30.300 -0.458 0.000 0.908 297 R HN 0.394 nan 8.270 nan 0.000 0.473 298 F N -1.346 118.513 119.950 -0.151 0.000 2.677 298 F HA 0.334 4.861 4.527 0.000 0.000 0.388 298 F C 0.864 176.581 175.800 -0.139 0.000 1.400 298 F CA -0.543 57.390 58.000 -0.112 0.000 1.162 298 F CB 0.849 39.793 39.000 -0.093 0.000 1.135 298 F HN -0.121 nan 8.300 nan 0.000 0.516 299 A N -0.486 122.260 122.820 -0.122 0.000 2.178 299 A HA 0.205 4.525 4.320 0.000 0.000 0.211 299 A C 1.174 178.715 177.584 -0.071 0.000 1.157 299 A CA 1.169 53.131 52.037 -0.125 0.000 0.780 299 A CB -0.298 18.563 19.000 -0.232 0.000 0.828 299 A HN 0.290 nan 8.150 nan 0.000 0.476 300 T N -5.155 109.365 114.554 -0.057 0.000 2.906 300 T HA 0.480 4.830 4.350 0.000 0.000 0.295 300 T C 0.684 175.386 174.700 0.003 0.000 1.075 300 T CA 0.219 62.298 62.100 -0.035 0.000 1.005 300 T CB 1.595 70.434 68.868 -0.048 0.000 1.136 300 T HN -0.098 nan 8.240 nan 0.000 0.498 301 S N 0.611 116.312 115.700 0.003 0.000 2.402 301 S HA -0.075 4.395 4.470 0.000 0.000 0.229 301 S C 1.743 176.354 174.600 0.019 0.000 1.021 301 S CA 1.316 59.529 58.200 0.022 0.000 0.974 301 S CB -0.433 62.770 63.200 0.005 0.000 0.800 301 S HN 0.840 nan 8.310 nan 0.000 0.484 302 E N 1.737 121.934 120.200 -0.004 0.000 2.077 302 E HA -0.145 4.206 4.350 0.000 0.000 0.193 302 E C 2.188 178.780 176.600 -0.012 0.000 0.989 302 E CA 1.104 57.495 56.400 -0.014 0.000 0.800 302 E CB -0.285 29.399 29.700 -0.027 0.000 0.746 302 E HN 0.555 nan 8.360 nan 0.000 0.452 303 Q N -0.098 119.686 119.800 -0.027 0.000 2.119 303 Q HA -0.101 4.239 4.340 0.000 0.000 0.201 303 Q C 2.229 178.273 176.000 0.073 0.000 0.972 303 Q CA 1.250 57.013 55.803 -0.068 0.000 0.847 303 Q CB -0.023 28.591 28.738 -0.207 0.000 0.903 303 Q HN 0.159 nan 8.270 nan 0.000 0.433 304 V N 1.557 121.588 119.914 0.195 0.000 2.261 304 V HA -0.261 3.859 4.120 0.000 0.000 0.246 304 V C 1.509 177.703 176.094 0.165 0.000 1.047 304 V CA 2.054 64.570 62.300 0.361 0.000 1.015 304 V CB -0.504 31.494 31.823 0.291 0.000 0.642 304 V HN 0.335 nan 8.190 nan 0.000 0.446 305 D N 0.513 120.940 120.400 0.044 0.000 2.149 305 D HA -0.142 4.498 4.640 0.000 0.000 0.198 305 D C 2.184 178.469 176.300 -0.025 0.000 0.990 305 D CA 1.644 55.622 54.000 -0.037 0.000 0.839 305 D CB -0.413 40.364 40.800 -0.037 0.000 0.948 305 D HN 0.451 nan 8.370 nan 0.000 0.460 306 A N 0.911 123.738 122.820 0.012 0.000 1.902 306 A HA -0.021 4.299 4.320 0.000 0.000 0.217 306 A C 2.306 179.921 177.584 0.051 0.000 1.181 306 A CA 2.148 54.193 52.037 0.013 0.000 0.623 306 A CB -0.680 18.318 19.000 -0.004 0.000 0.818 306 A HN 0.242 nan 8.150 nan 0.000 0.443 307 A N -0.749 122.154 122.820 0.139 0.000 1.898 307 A HA 0.024 4.344 4.320 0.000 0.000 0.216 307 A C 2.104 179.785 177.584 0.162 0.000 1.181 307 A CA 1.607 53.798 52.037 0.258 0.000 0.620 307 A CB -0.551 18.812 19.000 0.606 0.000 0.819 307 A HN 0.557 nan 8.150 nan 0.000 0.442 308 L N -0.293 120.888 121.223 -0.069 0.000 2.046 308 L HA -0.114 4.226 4.340 0.000 0.000 0.208 308 L C 2.248 179.043 176.870 -0.126 0.000 1.077 308 L CA 2.487 57.133 54.840 -0.322 0.000 0.747 308 L CB -0.487 41.229 42.059 -0.571 0.000 0.896 308 L HN 0.442 nan 8.230 nan 0.000 0.432 309 E N -0.403 119.755 120.200 -0.070 0.000 2.077 309 E HA -0.152 4.198 4.350 0.000 0.000 0.193 309 E C 2.151 178.773 176.600 0.037 0.000 0.989 309 E CA 1.372 57.758 56.400 -0.023 0.000 0.800 309 E CB -0.300 29.388 29.700 -0.019 0.000 0.746 309 E HN 0.528 nan 8.360 nan 0.000 0.452 310 A N 0.268 123.122 122.820 0.056 0.000 1.933 310 A HA -0.134 4.186 4.320 0.000 0.000 0.218 310 A C 2.151 179.813 177.584 0.130 0.000 1.175 310 A CA 1.433 53.519 52.037 0.081 0.000 0.628 310 A CB -0.702 18.341 19.000 0.072 0.000 0.814 310 A HN 0.368 nan 8.150 nan 0.000 0.444 311 L N 0.876 122.189 121.223 0.150 0.000 2.046 311 L HA -0.168 4.172 4.340 0.000 0.000 0.208 311 L C 2.091 179.184 176.870 0.371 0.000 1.077 311 L CA 2.446 57.437 54.840 0.250 0.000 0.747 311 L CB -0.828 41.407 42.059 0.293 0.000 0.896 311 L HN 0.565 nan 8.230 nan 0.000 0.432 312 N N -0.974 117.875 118.700 0.248 0.000 2.120 312 N HA -0.185 4.555 4.740 0.000 0.000 0.188 312 N C 1.676 177.323 175.510 0.229 0.000 1.024 312 N CA 1.634 54.833 53.050 0.248 0.000 0.852 312 N CB 0.057 38.609 38.487 0.108 0.000 1.003 312 N HN 0.447 nan 8.380 nan 0.000 0.424 313 S N -0.195 115.606 115.700 0.168 0.000 2.402 313 S HA -0.124 4.346 4.470 0.000 0.000 0.229 313 S C 1.640 176.323 174.600 0.138 0.000 1.021 313 S CA 0.623 58.899 58.200 0.126 0.000 0.974 313 S CB -0.512 62.742 63.200 0.090 0.000 0.800 313 S HN 0.519 nan 8.310 nan 0.000 0.484 314 Y N 0.725 121.033 120.300 0.014 0.000 2.145 314 Y HA -0.192 4.358 4.550 0.000 0.000 0.286 314 Y C 1.829 177.620 175.900 -0.182 0.000 1.145 314 Y CA 1.366 59.404 58.100 -0.104 0.000 1.148 314 Y CB -0.509 37.867 38.460 -0.141 0.000 0.981 314 Y HN 0.260 nan 8.280 nan 0.000 0.507 315 W N 0.120 121.477 121.300 0.095 0.000 2.418 315 W HA -0.123 4.537 4.660 0.000 0.000 0.292 315 W C 2.561 179.039 176.519 -0.069 0.000 1.213 315 W CA 1.840 59.162 57.345 -0.038 0.000 1.283 315 W CB -0.571 28.917 29.460 0.046 0.000 1.119 315 W HN -0.082 nan 8.180 nan 0.000 0.542 316 T N -0.036 114.623 114.554 0.175 0.000 2.746 316 T HA -0.268 4.082 4.350 0.000 0.000 0.267 316 T C 1.430 176.145 174.700 0.024 0.000 1.039 316 T CA 1.812 63.971 62.100 0.097 0.000 1.142 316 T CB -0.547 68.369 68.868 0.079 0.000 0.866 316 T HN 0.135 nan 8.240 nan 0.000 0.444 317 N N 0.821 119.499 118.700 -0.036 0.000 2.084 317 N HA -0.006 4.734 4.740 0.000 0.000 0.190 317 N C 1.751 177.173 175.510 -0.146 0.000 1.030 317 N CA 1.098 54.095 53.050 -0.089 0.000 0.849 317 N CB -0.421 37.998 38.487 -0.114 0.000 1.012 317 N HN 0.316 nan 8.380 nan 0.000 0.423 318 L N -0.032 121.028 121.223 -0.270 0.000 2.046 318 L HA -0.113 4.227 4.340 0.000 0.000 0.208 318 L C 1.669 178.480 176.870 -0.098 0.000 1.077 318 L CA 0.836 55.490 54.840 -0.310 0.000 0.747 318 L CB -0.401 41.311 42.059 -0.579 0.000 0.896 318 L HN 0.264 nan 8.230 nan 0.000 0.432 319 L N -0.394 120.847 121.223 0.029 0.000 2.627 319 L HA -0.004 4.336 4.340 0.000 0.000 0.233 319 L C 2.263 179.190 176.870 0.094 0.000 1.144 319 L CA 0.275 55.179 54.840 0.105 0.000 0.892 319 L CB -0.361 41.780 42.059 0.137 0.000 1.039 319 L HN 0.297 nan 8.230 nan 0.000 0.442 320 S N -2.854 112.874 115.700 0.047 0.000 2.528 320 S HA -0.048 4.422 4.470 0.000 0.000 0.219 320 S C 1.717 176.353 174.600 0.059 0.000 0.985 320 S CA 0.506 58.732 58.200 0.043 0.000 0.914 320 S CB -0.100 63.106 63.200 0.011 0.000 0.776 320 S HN 0.272 nan 8.310 nan 0.000 0.526 321 T N 0.307 114.915 114.554 0.091 0.000 2.812 321 T HA 0.109 4.459 4.350 0.000 0.000 0.264 321 T C -0.187 174.634 174.700 0.201 0.000 1.042 321 T CA 0.883 63.063 62.100 0.134 0.000 1.140 321 T CB -0.261 68.702 68.868 0.158 0.000 0.870 321 T HN 0.617 nan 8.240 nan 0.000 0.445 322 Y N 1.654 122.049 120.300 0.158 0.000 2.354 322 Y HA 0.483 5.033 4.550 0.000 0.000 0.330 322 Y C -0.777 175.211 175.900 0.146 0.000 1.011 322 Y CA -0.952 57.234 58.100 0.144 0.000 1.099 322 Y CB 1.370 39.929 38.460 0.164 0.000 1.179 322 Y HN 0.108 nan 8.280 nan 0.000 0.442 323 S N 4.479 120.220 115.700 0.068 0.000 2.579 323 S HA 0.816 5.286 4.470 0.000 0.000 0.272 323 S C -2.132 172.495 174.600 0.045 0.000 1.141 323 S CA -0.824 57.471 58.200 0.158 0.000 0.843 323 S CB 1.693 64.953 63.200 0.100 0.000 1.122 323 S HN 0.760 nan 8.310 nan 0.000 0.468 324 V N 0.603 120.593 119.914 0.127 0.000 3.007 324 V HA 0.893 5.013 4.120 0.000 0.000 0.311 324 V C -1.139 175.013 176.094 0.097 0.000 1.120 324 V CA -0.216 62.146 62.300 0.103 0.000 0.980 324 V CB 2.268 34.167 31.823 0.127 0.000 1.033 324 V HN 1.238 nan 8.190 nan 0.000 0.429 325 S N 3.458 119.220 115.700 0.104 0.000 2.756 325 S HA 0.794 5.264 4.470 0.000 0.000 0.303 325 S C -0.495 174.179 174.600 0.122 0.000 1.135 325 S CA 0.199 58.453 58.200 0.092 0.000 1.066 325 S CB 0.923 64.164 63.200 0.068 0.000 1.008 325 S HN 1.543 nan 8.310 nan 0.000 0.482 326 S N 2.394 118.157 115.700 0.104 0.000 2.911 326 S HA 0.546 5.016 4.470 0.000 0.000 0.319 326 S C 0.732 175.384 174.600 0.086 0.000 1.154 326 S CA 0.072 58.344 58.200 0.120 0.000 0.857 326 S CB 0.684 63.935 63.200 0.085 0.000 1.279 326 S HN 0.755 nan 8.310 nan 0.000 0.593 327 T N -1.885 112.720 114.554 0.085 0.000 3.144 327 T HA 0.251 4.601 4.350 0.000 0.000 0.249 327 T C -0.235 174.514 174.700 0.081 0.000 1.089 327 T CA 0.146 62.289 62.100 0.073 0.000 0.989 327 T CB -0.494 68.415 68.868 0.068 0.000 0.992 327 T HN 0.546 nan 8.240 nan 0.000 0.540 328 D N 2.228 122.684 120.400 0.093 0.000 2.461 328 D HA 0.121 4.761 4.640 0.000 0.000 0.240 328 D C 1.220 177.568 176.300 0.080 0.000 1.094 328 D CA -0.436 53.637 54.000 0.123 0.000 0.868 328 D CB 1.334 42.267 40.800 0.221 0.000 1.062 328 D HN 0.276 nan 8.370 nan 0.000 0.530 329 E N 3.667 123.889 120.200 0.036 0.000 2.338 329 E HA -0.162 4.188 4.350 0.000 0.000 0.197 329 E C 0.624 177.176 176.600 -0.079 0.000 1.007 329 E CA 0.818 57.217 56.400 -0.002 0.000 0.849 329 E CB 0.070 29.769 29.700 -0.002 0.000 0.774 329 E HN 0.446 nan 8.360 nan 0.000 0.506 330 K N 0.148 120.456 120.400 -0.154 0.000 2.076 330 K HA -0.001 4.319 4.320 0.000 0.000 0.204 330 K C 2.247 178.710 176.600 -0.229 0.000 1.051 330 K CA 0.858 56.905 56.287 -0.400 0.000 0.949 330 K CB -0.173 31.808 32.500 -0.865 0.000 0.726 330 K HN 0.054 nan 8.250 nan 0.000 0.443 331 L N 2.086 123.341 121.223 0.053 0.000 1.994 331 L HA -0.192 4.148 4.340 0.000 0.000 0.208 331 L C 1.343 178.317 176.870 0.174 0.000 1.071 331 L CA 2.045 57.062 54.840 0.294 0.000 0.745 331 L CB -0.518 41.766 42.059 0.375 0.000 0.892 331 L HN 0.073 nan 8.230 nan 0.000 0.431 332 D N -0.454 120.009 120.400 0.105 0.000 2.116 332 D HA -0.247 4.393 4.640 0.000 0.000 0.193 332 D C 2.276 178.635 176.300 0.099 0.000 0.998 332 D CA 1.650 55.709 54.000 0.097 0.000 0.836 332 D CB -0.289 40.554 40.800 0.072 0.000 0.951 332 D HN 0.399 nan 8.370 nan 0.000 0.449 333 R N -0.006 120.518 120.500 0.040 0.000 2.083 333 R HA -0.152 4.188 4.340 0.000 0.000 0.237 333 R C 1.982 178.376 176.300 0.157 0.000 1.137 333 R CA 1.405 57.530 56.100 0.042 0.000 0.951 333 R CB -0.068 30.127 30.300 -0.175 0.000 0.851 333 R HN 0.082 nan 8.270 nan 0.000 0.434 334 M N 0.075 119.755 119.600 0.133 0.000 2.099 334 M HA -0.092 4.388 4.480 0.000 0.000 0.262 334 M C 2.374 178.870 176.300 0.327 0.000 1.067 334 M CA 1.150 56.601 55.300 0.252 0.000 1.124 334 M CB -0.670 32.087 32.600 0.262 0.000 1.353 334 M HN 0.083 nan 8.290 nan 0.000 0.410 335 V N 1.231 121.329 119.914 0.306 0.000 2.358 335 V HA -0.222 3.898 4.120 0.000 0.000 0.246 335 V C 2.072 178.377 176.094 0.351 0.000 1.047 335 V CA 1.489 63.999 62.300 0.351 0.000 1.035 335 V CB -0.799 31.169 31.823 0.243 0.000 0.658 335 V HN 0.437 nan 8.190 nan 0.000 0.452 336 N N -0.643 118.198 118.700 0.236 0.000 2.376 336 N HA 0.129 4.869 4.740 0.000 0.000 0.177 336 N C 1.455 177.015 175.510 0.082 0.000 1.024 336 N CA 1.188 54.347 53.050 0.181 0.000 0.893 336 N CB 0.426 38.988 38.487 0.126 0.000 0.980 336 N HN 0.465 nan 8.380 nan 0.000 0.439 337 I N -2.158 118.416 120.570 0.007 0.000 3.882 337 I HA 0.066 4.237 4.170 0.000 0.000 0.252 337 I C 1.301 177.249 176.117 -0.282 0.000 1.087 337 I CA -0.287 60.855 61.300 -0.264 0.000 1.764 337 I CB -0.329 37.321 38.000 -0.583 0.000 1.620 337 I HN -0.081 nan 8.210 nan 0.000 0.437 338 W N 1.873 123.240 121.300 0.112 0.000 2.338 338 W HA -0.190 4.470 4.660 0.000 0.000 0.304 338 W C 2.434 179.062 176.519 0.182 0.000 1.212 338 W CA 1.138 58.582 57.345 0.164 0.000 1.264 338 W CB -0.690 28.855 29.460 0.141 0.000 1.142 338 W HN 0.214 nan 8.180 nan 0.000 0.512 339 N N 0.380 119.301 118.700 0.368 0.000 2.188 339 N HA -0.161 4.579 4.740 0.000 0.000 0.184 339 N C 1.618 177.211 175.510 0.139 0.000 1.018 339 N CA 1.502 54.764 53.050 0.353 0.000 0.858 339 N CB -0.343 38.460 38.487 0.527 0.000 0.989 339 N HN 0.341 nan 8.380 nan 0.000 0.426 340 Q N -1.184 118.628 119.800 0.019 0.000 2.123 340 Q HA -0.146 4.194 4.340 0.000 0.000 0.199 340 Q C 1.737 177.830 176.000 0.155 0.000 0.966 340 Q CA 0.969 56.712 55.803 -0.100 0.000 0.845 340 Q CB -0.206 28.484 28.738 -0.081 0.000 0.907 340 Q HN 0.553 nan 8.270 nan 0.000 0.439 341 Y N 1.540 121.843 120.300 0.006 0.000 2.145 341 Y HA -0.323 4.227 4.550 0.000 0.000 0.286 341 Y C 2.608 178.631 175.900 0.206 0.000 1.145 341 Y CA 1.669 59.754 58.100 -0.025 0.000 1.148 341 Y CB 0.156 38.445 38.460 -0.286 0.000 0.981 341 Y HN 0.114 nan 8.280 nan 0.000 0.507 342 Q N -0.566 119.344 119.800 0.183 0.000 2.170 342 Q HA -0.218 4.122 4.340 0.000 0.000 0.203 342 Q C 2.202 178.279 176.000 0.128 0.000 0.976 342 Q CA 1.811 57.704 55.803 0.149 0.000 0.858 342 Q CB -0.325 28.483 28.738 0.118 0.000 0.907 342 Q HN 0.615 nan 8.270 nan 0.000 0.433 343 C N 0.012 119.389 119.300 0.129 0.000 2.432 343 C HA -0.093 4.367 4.460 0.000 0.000 0.280 343 C C 2.566 177.675 174.990 0.198 0.000 1.353 343 C CA 0.757 59.854 59.018 0.132 0.000 1.766 343 C CB -0.813 26.979 27.740 0.087 0.000 1.924 343 C HN 0.684 nan 8.230 nan 0.000 0.509 344 M N 0.707 120.469 119.600 0.270 0.000 2.156 344 M HA -0.044 4.436 4.480 0.000 0.000 0.264 344 M C 1.960 178.339 176.300 0.133 0.000 1.067 344 M CA 1.922 57.421 55.300 0.330 0.000 1.131 344 M CB -0.622 32.326 32.600 0.580 0.000 1.368 344 M HN 0.127 nan 8.290 nan 0.000 0.416 345 V N 0.498 120.421 119.914 0.014 0.000 2.295 345 V HA -0.272 3.848 4.120 0.000 0.000 0.246 345 V C 2.538 178.481 176.094 -0.252 0.000 1.049 345 V CA 2.338 64.507 62.300 -0.218 0.000 1.024 345 V CB -1.687 29.916 31.823 -0.365 0.000 0.648 345 V HN 0.765 nan 8.190 nan 0.000 0.447 346 T N -1.686 112.800 114.554 -0.114 0.000 2.867 346 T HA -0.227 4.123 4.350 0.000 0.000 0.268 346 T C 1.811 176.404 174.700 -0.179 0.000 1.057 346 T CA 1.604 63.627 62.100 -0.128 0.000 1.136 346 T CB -0.626 68.219 68.868 -0.038 0.000 0.874 346 T HN 0.381 nan 8.240 nan 0.000 0.466 347 F N 3.212 122.967 119.950 -0.324 0.000 2.126 347 F HA -0.063 4.464 4.527 0.000 0.000 0.299 347 F C 2.049 177.598 175.800 -0.418 0.000 1.096 347 F CA 1.392 59.096 58.000 -0.493 0.000 1.255 347 F CB -0.487 37.878 39.000 -1.058 0.000 0.997 347 F HN 0.068 nan 8.300 nan 0.000 0.479 348 N N -0.236 118.234 118.700 -0.384 0.000 2.207 348 N HA -0.079 4.661 4.740 0.000 0.000 0.182 348 N C 1.718 176.879 175.510 -0.582 0.000 1.020 348 N CA 1.471 54.231 53.050 -0.483 0.000 0.858 348 N CB -0.200 38.075 38.487 -0.353 0.000 0.991 348 N HN 0.311 nan 8.380 nan 0.000 0.427 349 M N -0.029 119.264 119.600 -0.512 0.000 2.501 349 M HA 0.152 4.632 4.480 0.000 0.000 0.261 349 M C 1.225 177.338 176.300 -0.310 0.000 1.129 349 M CA 0.021 55.075 55.300 -0.410 0.000 1.126 349 M CB -0.722 31.641 32.600 -0.395 0.000 1.359 349 M HN -0.014 nan 8.290 nan 0.000 0.471 350 S N 1.094 116.607 115.700 -0.311 0.000 4.139 350 S HA -0.234 4.236 4.470 0.000 0.000 0.603 350 S C 0.815 175.317 174.600 -0.163 0.000 1.897 350 S CA 1.932 59.979 58.200 -0.254 0.000 4.241 350 S CB -0.433 62.582 63.200 -0.308 0.000 0.221 350 S HN 0.565 nan 8.310 nan 0.000 0.488 351 R N 0.847 121.262 120.500 -0.141 0.000 2.659 351 R HA 0.317 4.657 4.340 0.000 0.000 0.418 351 R C 1.449 177.715 176.300 -0.055 0.000 1.076 351 R CA 0.778 56.838 56.100 -0.066 0.000 1.093 351 R CB 0.052 30.323 30.300 -0.048 0.000 1.400 351 R HN 0.597 nan 8.270 nan 0.000 0.583 352 S N 0.222 115.864 115.700 -0.097 0.000 2.336 352 S HA 0.166 4.637 4.470 0.000 0.000 0.216 352 S C 1.012 175.596 174.600 -0.026 0.000 1.032 352 S CA 0.596 58.738 58.200 -0.097 0.000 0.973 352 S CB 0.215 63.310 63.200 -0.176 0.000 0.888 352 S HN 0.216 nan 8.310 nan 0.000 0.455 353 A N 0.822 123.659 122.820 0.027 0.000 2.375 353 A HA 0.774 5.094 4.320 0.000 0.000 0.295 353 A C -0.062 177.701 177.584 0.298 0.000 1.066 353 A CA -0.220 51.916 52.037 0.165 0.000 0.722 353 A CB 1.496 20.559 19.000 0.104 0.000 1.206 353 A HN 0.898 nan 8.150 nan 0.000 0.435 354 S N 0.682 116.621 115.700 0.399 0.000 3.070 354 S HA 0.693 5.163 4.470 0.000 0.000 0.320 354 S C -0.483 174.508 174.600 0.653 0.000 1.215 354 S CA -0.316 58.154 58.200 0.449 0.000 0.956 354 S CB 0.219 63.723 63.200 0.507 0.000 1.337 354 S HN 0.488 nan 8.310 nan 0.000 0.639 355 F N 0.452 120.579 119.950 0.295 0.000 2.732 355 F HA 0.523 5.050 4.527 0.000 0.000 0.303 355 F C 0.509 176.359 175.800 0.083 0.000 1.110 355 F CA -1.121 56.977 58.000 0.163 0.000 1.355 355 F CB -0.741 38.262 39.000 0.006 0.000 1.081 355 F HN 0.437 nan 8.300 nan 0.000 0.565 356 F N -1.095 119.194 119.950 0.565 0.000 2.495 356 F HA 0.182 4.709 4.527 0.000 0.000 0.272 356 F C 0.969 176.890 175.800 0.201 0.000 0.919 356 F CA -0.215 57.995 58.000 0.349 0.000 1.178 356 F CB -0.169 38.972 39.000 0.235 0.000 1.030 356 F HN -0.444 nan 8.300 nan 0.000 0.777 357 E N 1.593 122.023 120.200 0.384 0.000 2.290 357 E HA 0.100 4.450 4.350 0.000 0.000 0.277 357 E C 0.882 177.525 176.600 0.072 0.000 1.035 357 E CA 0.406 56.907 56.400 0.169 0.000 0.873 357 E CB 1.010 30.803 29.700 0.155 0.000 1.029 357 E HN 0.276 nan 8.360 nan 0.000 0.419 358 T N -0.558 113.882 114.554 -0.190 0.000 3.160 358 T HA 0.130 4.480 4.350 0.000 0.000 0.257 358 T C 1.249 175.867 174.700 -0.137 0.000 1.147 358 T CA 0.169 61.978 62.100 -0.484 0.000 1.064 358 T CB -0.089 68.403 68.868 -0.626 0.000 0.949 358 T HN 0.664 nan 8.240 nan 0.000 0.526 359 G N 0.870 109.649 108.800 -0.034 0.000 2.221 359 G HA2 -0.233 3.727 3.960 0.000 0.000 0.265 359 G HA3 -0.233 3.727 3.960 0.000 0.000 0.265 359 G C 0.370 175.203 174.900 -0.112 0.000 1.041 359 G CA 0.645 45.706 45.100 -0.065 0.000 0.807 359 G HN 0.610 nan 8.290 nan 0.000 0.502 360 I N -1.393 119.114 120.570 -0.105 0.000 3.809 360 I HA 0.251 4.421 4.170 0.000 0.000 0.245 360 I C 2.620 178.695 176.117 -0.071 0.000 1.119 360 I CA 0.599 61.846 61.300 -0.089 0.000 1.597 360 I CB -0.527 37.419 38.000 -0.091 0.000 1.605 360 I HN 0.094 nan 8.210 nan 0.000 0.441 361 G N 1.764 110.528 108.800 -0.059 0.000 2.448 361 G HA2 -0.017 3.943 3.960 0.000 0.000 0.218 361 G HA3 -0.017 3.943 3.960 0.000 0.000 0.218 361 G C 0.801 175.678 174.900 -0.039 0.000 1.135 361 G CA 0.081 45.159 45.100 -0.036 0.000 0.784 361 G HN 0.183 nan 8.290 nan 0.000 0.543 362 R N 0.132 120.597 120.500 -0.059 0.000 2.346 362 R HA 0.523 4.864 4.340 0.000 0.000 0.311 362 R C 0.622 176.846 176.300 -0.126 0.000 0.983 362 R CA -0.043 56.010 56.100 -0.078 0.000 0.880 362 R CB 1.780 32.039 30.300 -0.067 0.000 1.100 362 R HN 0.149 nan 8.270 nan 0.000 0.453 363 G N 2.507 111.211 108.800 -0.161 0.000 3.441 363 G HA2 0.232 4.192 3.960 0.000 0.000 0.195 363 G HA3 0.232 4.192 3.960 0.000 0.000 0.195 363 G C -0.320 174.374 174.900 -0.343 0.000 1.633 363 G CA -0.400 44.560 45.100 -0.232 0.000 0.895 363 G HN 0.280 nan 8.290 nan 0.000 0.654 364 M N 2.061 121.324 119.600 -0.562 0.000 2.066 364 M HA 0.370 4.850 4.480 0.000 0.000 0.340 364 M C 0.462 176.404 176.300 -0.596 0.000 1.053 364 M CA -1.050 53.818 55.300 -0.720 0.000 0.983 364 M CB 0.338 32.164 32.600 -1.290 0.000 1.520 364 M HN 0.381 nan 8.290 nan 0.000 0.428 365 G N 1.530 110.100 108.800 -0.383 0.000 2.442 365 G HA2 0.216 4.176 3.960 0.000 0.000 0.249 365 G HA3 0.216 4.176 3.960 0.000 0.000 0.249 365 G C 0.433 175.211 174.900 -0.203 0.000 1.263 365 G CA -0.346 44.569 45.100 -0.307 0.000 0.846 365 G HN 0.744 nan 8.290 nan 0.000 0.555 366 F N 2.163 121.970 119.950 -0.239 0.000 2.102 366 F HA -0.067 4.460 4.527 0.000 0.000 0.298 366 F C 2.711 178.486 175.800 -0.042 0.000 1.105 366 F CA 1.975 59.940 58.000 -0.058 0.000 1.239 366 F CB 0.107 39.127 39.000 0.033 0.000 0.991 366 F HN 0.523 nan 8.300 nan 0.000 0.474 367 R N 0.544 121.113 120.500 0.115 0.000 2.062 367 R HA -0.156 4.184 4.340 0.000 0.000 0.231 367 R C 1.941 178.123 176.300 -0.197 0.000 1.136 367 R CA 2.112 58.205 56.100 -0.012 0.000 0.948 367 R CB -0.855 29.445 30.300 -0.000 0.000 0.845 367 R HN 0.290 nan 8.270 nan 0.000 0.430 368 D N 0.330 120.627 120.400 -0.171 0.000 2.116 368 D HA -0.138 4.502 4.640 0.000 0.000 0.193 368 D C 1.952 178.168 176.300 -0.141 0.000 0.998 368 D CA 1.761 55.687 54.000 -0.124 0.000 0.836 368 D CB -0.203 40.512 40.800 -0.141 0.000 0.951 368 D HN 0.248 nan 8.370 nan 0.000 0.449 369 S N 0.660 116.244 115.700 -0.194 0.000 2.402 369 S HA -0.080 4.391 4.470 0.000 0.000 0.229 369 S C 1.710 176.229 174.600 -0.136 0.000 1.021 369 S CA 0.423 58.505 58.200 -0.198 0.000 0.974 369 S CB -0.070 62.977 63.200 -0.256 0.000 0.800 369 S HN 0.227 nan 8.310 nan 0.000 0.484 370 N N 1.548 120.151 118.700 -0.161 0.000 2.120 370 N HA -0.072 4.668 4.740 0.000 0.000 0.188 370 N C 1.810 177.296 175.510 -0.040 0.000 1.024 370 N CA 1.039 54.032 53.050 -0.094 0.000 0.852 370 N CB -0.255 38.194 38.487 -0.063 0.000 1.003 370 N HN 0.537 nan 8.380 nan 0.000 0.424 371 Q N 0.275 120.016 119.800 -0.098 0.000 2.123 371 Q HA -0.067 4.273 4.340 0.000 0.000 0.199 371 Q C 0.959 176.870 176.000 -0.149 0.000 0.966 371 Q CA 0.805 56.532 55.803 -0.126 0.000 0.845 371 Q CB 0.075 28.773 28.738 -0.068 0.000 0.907 371 Q HN 0.292 nan 8.270 nan 0.000 0.439 372 D N 0.813 121.170 120.400 -0.072 0.000 2.218 372 D HA -0.121 4.519 4.640 0.000 0.000 0.204 372 D C 1.822 178.169 176.300 0.078 0.000 0.976 372 D CA 0.794 54.783 54.000 -0.018 0.000 0.853 372 D CB -0.049 40.741 40.800 -0.017 0.000 0.939 372 D HN 0.233 nan 8.370 nan 0.000 0.481 373 L N 0.344 121.625 121.223 0.098 0.000 2.127 373 L HA -0.154 4.186 4.340 0.000 0.000 0.211 373 L C 2.443 179.394 176.870 0.134 0.000 1.089 373 L CA 0.553 55.507 54.840 0.190 0.000 0.757 373 L CB -0.358 41.791 42.059 0.151 0.000 0.899 373 L HN 0.070 nan 8.230 nan 0.000 0.434 374 L N -0.492 120.735 121.223 0.007 0.000 2.079 374 L HA -0.168 4.172 4.340 0.000 0.000 0.210 374 L C 2.162 179.056 176.870 0.041 0.000 1.081 374 L CA 1.429 56.238 54.840 -0.052 0.000 0.752 374 L CB -0.890 40.974 42.059 -0.326 0.000 0.896 374 L HN 0.350 nan 8.230 nan 0.000 0.433 375 G N -2.388 106.462 108.800 0.082 0.000 3.233 375 G HA2 -0.024 3.936 3.960 0.000 0.000 0.234 375 G HA3 -0.024 3.936 3.960 0.000 0.000 0.234 375 G C 0.880 175.929 174.900 0.249 0.000 1.137 375 G CA -0.237 44.996 45.100 0.221 0.000 0.763 375 G HN 0.271 nan 8.290 nan 0.000 0.549 376 F N 0.859 120.822 119.950 0.022 0.000 2.740 376 F HA 0.124 4.651 4.527 0.000 0.000 0.304 376 F C 2.230 177.906 175.800 -0.207 0.000 1.098 376 F CA 0.516 58.422 58.000 -0.156 0.000 1.258 376 F CB 0.305 39.184 39.000 -0.202 0.000 1.061 376 F HN -0.012 nan 8.300 nan 0.000 0.598 377 V N 0.064 119.955 119.914 -0.038 0.000 2.380 377 V HA -0.339 3.781 4.120 0.000 0.000 0.251 377 V C 2.632 178.595 176.094 -0.220 0.000 1.063 377 V CA 2.519 64.768 62.300 -0.085 0.000 1.055 377 V CB -1.643 30.225 31.823 0.074 0.000 0.657 377 V HN 0.625 nan 8.190 nan 0.000 0.455 378 H N 0.061 118.998 119.070 -0.221 0.000 2.495 378 H HA 0.089 4.646 4.556 0.000 0.000 0.287 378 H C 2.002 177.155 175.328 -0.292 0.000 1.033 378 H CA 1.462 57.401 56.048 -0.182 0.000 1.307 378 H CB -0.447 29.296 29.762 -0.032 0.000 1.401 378 H HN 0.462 nan 8.280 nan 0.000 0.555 379 L N 0.488 121.000 121.223 -1.186 0.000 1.993 379 L HA 0.068 4.408 4.340 0.000 0.000 0.206 379 L C 0.940 177.341 176.870 -0.781 0.000 1.074 379 L CA 1.199 55.418 54.840 -1.035 0.000 0.746 379 L CB 0.017 41.328 42.059 -1.247 0.000 0.896 379 L HN 0.127 nan 8.230 nan 0.000 0.435 380 I N 0.063 120.046 120.570 -0.978 0.000 2.719 380 I HA 0.131 4.301 4.170 0.000 0.000 0.275 380 I C -1.716 174.181 176.117 -0.366 0.000 1.228 380 I CA -1.066 59.914 61.300 -0.534 0.000 1.035 380 I CB 1.793 39.583 38.000 -0.350 0.000 1.286 380 I HN -0.085 nan 8.210 nan 0.000 0.531 381 P HA -0.178 nan 4.420 nan 0.000 0.218 381 P C 0.943 178.337 177.300 0.156 0.000 1.148 381 P CA 1.554 64.655 63.100 0.001 0.000 0.822 381 P CB 0.499 32.163 31.700 -0.059 0.000 0.784 382 E N 0.008 120.248 120.200 0.065 0.000 2.153 382 E HA -0.118 4.232 4.350 0.000 0.000 0.194 382 E C 2.285 178.942 176.600 0.094 0.000 0.988 382 E CA 1.081 57.534 56.400 0.088 0.000 0.811 382 E CB -0.522 29.207 29.700 0.049 0.000 0.746 382 E HN 0.303 nan 8.360 nan 0.000 0.466 383 R N -0.116 120.447 120.500 0.105 0.000 2.161 383 R HA 0.169 4.509 4.340 0.000 0.000 0.213 383 R C 2.157 178.614 176.300 0.262 0.000 1.055 383 R CA 0.814 57.030 56.100 0.193 0.000 0.996 383 R CB -0.056 30.387 30.300 0.238 0.000 0.901 383 R HN 0.133 nan 8.270 nan 0.000 0.456 384 A N 1.199 124.139 122.820 0.201 0.000 1.969 384 A HA -0.142 4.178 4.320 0.000 0.000 0.218 384 A C 2.086 179.676 177.584 0.010 0.000 1.169 384 A CA 0.959 53.133 52.037 0.230 0.000 0.635 384 A CB -0.340 18.812 19.000 0.254 0.000 0.810 384 A HN 0.177 nan 8.150 nan 0.000 0.445 385 R N -0.247 120.190 120.500 -0.105 0.000 2.070 385 R HA -0.166 4.174 4.340 0.000 0.000 0.233 385 R C 2.213 178.412 176.300 -0.169 0.000 1.137 385 R CA 1.788 57.668 56.100 -0.367 0.000 0.945 385 R CB -0.307 29.884 30.300 -0.182 0.000 0.845 385 R HN 0.685 nan 8.270 nan 0.000 0.430 386 E N -0.098 120.083 120.200 -0.031 0.000 2.077 386 E HA -0.259 4.092 4.350 0.000 0.000 0.193 386 E C 2.050 178.641 176.600 -0.015 0.000 0.989 386 E CA 1.115 57.508 56.400 -0.011 0.000 0.800 386 E CB 0.007 29.731 29.700 0.041 0.000 0.746 386 E HN 0.072 nan 8.360 nan 0.000 0.452 387 R N 1.034 121.569 120.500 0.058 0.000 2.091 387 R HA -0.109 4.231 4.340 0.000 0.000 0.238 387 R C 2.119 178.394 176.300 -0.041 0.000 1.136 387 R CA 1.401 57.525 56.100 0.041 0.000 0.959 387 R CB -0.682 29.724 30.300 0.178 0.000 0.856 387 R HN 0.276 nan 8.270 nan 0.000 0.437 388 I N 0.135 120.657 120.570 -0.080 0.000 2.163 388 I HA -0.285 3.885 4.170 0.000 0.000 0.243 388 I C 1.759 177.784 176.117 -0.154 0.000 1.085 388 I CA 0.985 62.203 61.300 -0.137 0.000 1.347 388 I CB -0.291 37.585 38.000 -0.207 0.000 1.044 388 I HN 0.139 nan 8.210 nan 0.000 0.408 389 I N 0.540 121.019 120.570 -0.152 0.000 2.226 389 I HA -0.289 3.881 4.170 0.000 0.000 0.245 389 I C 2.171 178.184 176.117 -0.173 0.000 1.100 389 I CA 1.680 62.883 61.300 -0.162 0.000 1.374 389 I CB -1.436 36.489 38.000 -0.125 0.000 1.057 389 I HN 0.272 nan 8.210 nan 0.000 0.413 390 D N 0.847 121.151 120.400 -0.161 0.000 2.117 390 D HA -0.119 4.521 4.640 0.000 0.000 0.197 390 D C 2.398 178.535 176.300 -0.272 0.000 0.987 390 D CA 1.102 54.957 54.000 -0.242 0.000 0.829 390 D CB -0.074 40.580 40.800 -0.243 0.000 0.961 390 D HN 0.320 nan 8.370 nan 0.000 0.460 391 I N 1.216 121.698 120.570 -0.146 0.000 2.142 391 I HA -0.244 3.926 4.170 0.000 0.000 0.240 391 I C 2.455 178.573 176.117 0.001 0.000 1.078 391 I CA 1.124 62.383 61.300 -0.068 0.000 1.343 391 I CB -0.275 37.597 38.000 -0.213 0.000 1.046 391 I HN -0.086 nan 8.210 nan 0.000 0.405 392 A N -0.157 122.607 122.820 -0.094 0.000 2.070 392 A HA -0.164 4.156 4.320 0.000 0.000 0.220 392 A C 2.366 179.862 177.584 -0.146 0.000 1.159 392 A CA 1.847 53.820 52.037 -0.106 0.000 0.656 392 A CB -0.578 18.197 19.000 -0.376 0.000 0.800 392 A HN 0.406 nan 8.150 nan 0.000 0.453 393 S N -0.491 115.122 115.700 -0.145 0.000 2.481 393 S HA -0.067 4.403 4.470 0.000 0.000 0.231 393 S C 1.774 176.375 174.600 0.000 0.000 0.996 393 S CA 1.430 59.571 58.200 -0.099 0.000 0.942 393 S CB -0.294 62.822 63.200 -0.141 0.000 0.768 393 S HN 0.888 nan 8.310 nan 0.000 0.520 394 T N -0.743 113.835 114.554 0.041 0.000 3.122 394 T HA 0.215 4.565 4.350 0.000 0.000 0.250 394 T C 0.295 174.967 174.700 -0.047 0.000 1.067 394 T CA -0.341 61.800 62.100 0.068 0.000 0.966 394 T CB -0.044 68.919 68.868 0.159 0.000 1.002 394 T HN 0.314 nan 8.240 nan 0.000 0.542 395 Q N 0.430 120.274 119.800 0.073 0.000 2.259 395 Q HA 0.482 4.822 4.340 0.000 0.000 0.246 395 Q C -1.156 174.876 176.000 0.054 0.000 0.920 395 Q CA -0.821 54.998 55.803 0.026 0.000 0.895 395 Q CB 0.545 29.516 28.738 0.388 0.000 1.220 395 Q HN 0.334 nan 8.270 nan 0.000 0.439 396 F N 0.782 120.818 119.950 0.143 0.000 2.378 396 F HA 0.370 4.897 4.527 0.000 0.000 0.325 396 F C 1.197 176.850 175.800 -0.246 0.000 1.097 396 F CA -0.135 57.867 58.000 0.002 0.000 1.079 396 F CB 0.794 39.719 39.000 -0.124 0.000 1.240 396 F HN 0.816 nan 8.300 nan 0.000 0.519 397 A N 0.733 123.300 122.820 -0.420 0.000 1.986 397 A HA -0.231 4.089 4.320 0.000 0.000 0.220 397 A C 1.629 178.955 177.584 -0.432 0.000 1.171 397 A CA 2.037 53.465 52.037 -1.015 0.000 0.640 397 A CB -1.077 17.507 19.000 -0.694 0.000 0.811 397 A HN 0.806 nan 8.150 nan 0.000 0.451 398 D N -2.642 117.671 120.400 -0.145 0.000 2.363 398 D HA 0.298 4.938 4.640 0.000 0.000 0.226 398 D C 1.183 177.563 176.300 0.133 0.000 1.020 398 D CA 1.130 55.129 54.000 -0.001 0.000 0.892 398 D CB -0.350 40.478 40.800 0.047 0.000 0.900 398 D HN 0.765 nan 8.370 nan 0.000 0.531 399 G N -0.141 108.704 108.800 0.075 0.000 2.279 399 G HA2 -0.279 3.681 3.960 0.000 0.000 0.223 399 G HA3 -0.279 3.681 3.960 0.000 0.000 0.223 399 G C 0.555 175.378 174.900 -0.129 0.000 1.015 399 G CA 0.236 45.391 45.100 0.091 0.000 0.621 399 G HN 0.821 nan 8.290 nan 0.000 0.506 400 S N 0.354 115.923 115.700 -0.219 0.000 2.617 400 S HA 0.855 5.325 4.470 0.000 0.000 0.259 400 S C 0.246 174.795 174.600 -0.086 0.000 1.301 400 S CA 0.937 58.906 58.200 -0.384 0.000 0.984 400 S CB 2.013 65.063 63.200 -0.251 0.000 0.954 400 S HN 2.197 nan 8.310 nan 0.000 0.572 401 A N -0.102 122.607 122.820 -0.184 0.000 2.609 401 A HA 0.609 4.929 4.320 0.000 0.000 0.291 401 A C -1.541 175.921 177.584 -0.202 0.000 1.096 401 A CA -0.885 50.904 52.037 -0.413 0.000 0.684 401 A CB 0.232 18.669 19.000 -0.938 0.000 1.282 401 A HN 0.715 nan 8.150 nan 0.000 0.412 402 Y N 0.697 120.836 120.300 -0.269 0.000 2.610 402 Y HA 0.115 4.665 4.550 0.000 0.000 0.332 402 Y C 1.721 177.685 175.900 0.106 0.000 1.201 402 Y CA 1.484 59.615 58.100 0.051 0.000 1.465 402 Y CB 0.443 38.919 38.460 0.026 0.000 1.283 402 Y HN 0.953 nan 8.280 nan 0.000 0.563 403 H N 1.360 120.613 119.070 0.306 0.000 2.491 403 H HA -0.010 4.546 4.556 0.000 0.000 0.290 403 H C -0.151 175.286 175.328 0.180 0.000 1.050 403 H CA 1.515 57.688 56.048 0.208 0.000 1.309 403 H CB 0.440 30.323 29.762 0.202 0.000 1.392 403 H HN 0.744 nan 8.280 nan 0.000 0.554 404 Q N -1.754 118.158 119.800 0.187 0.000 2.687 404 Q HA 0.294 4.634 4.340 0.000 0.000 0.295 404 Q C -1.722 174.327 176.000 0.082 0.000 0.920 404 Q CA -1.283 54.533 55.803 0.021 0.000 0.766 404 Q CB 1.552 30.234 28.738 -0.092 0.000 1.467 404 Q HN 0.168 nan 8.270 nan 0.000 0.415 405 Y N -1.516 118.755 120.300 -0.049 0.000 2.545 405 Y HA 0.634 5.184 4.550 0.000 0.000 0.348 405 Y C -0.905 174.933 175.900 -0.103 0.000 1.002 405 Y CA -1.369 56.671 58.100 -0.100 0.000 1.039 405 Y CB 1.679 40.089 38.460 -0.083 0.000 1.271 405 Y HN 0.709 nan 8.280 nan 0.000 0.467 406 Q N 4.122 124.001 119.800 0.131 0.000 2.286 406 Q HA 0.303 4.643 4.340 0.000 0.000 0.267 406 Q C -2.083 173.997 176.000 0.133 0.000 1.028 406 Q CA -1.895 53.937 55.803 0.049 0.000 0.901 406 Q CB 1.276 30.026 28.738 0.019 0.000 1.183 406 Q HN 0.530 nan 8.270 nan 0.000 0.392 407 P HA -0.211 nan 4.420 nan 0.000 0.216 407 P C 0.780 178.103 177.300 0.038 0.000 1.153 407 P CA 0.825 63.940 63.100 0.025 0.000 0.858 407 P CB 0.128 31.777 31.700 -0.084 0.000 0.789 408 L N -0.579 120.647 121.223 0.005 0.000 2.046 408 L HA -0.117 4.223 4.340 0.000 0.000 0.208 408 L C 2.027 178.901 176.870 0.006 0.000 1.077 408 L CA 2.615 57.451 54.840 -0.007 0.000 0.747 408 L CB -1.484 40.576 42.059 0.000 0.000 0.896 408 L HN 0.087 nan 8.230 nan 0.000 0.432 409 T N -5.636 108.929 114.554 0.018 0.000 3.022 409 T HA 0.097 4.447 4.350 0.000 0.000 0.250 409 T C 0.951 175.634 174.700 -0.028 0.000 1.060 409 T CA 0.136 62.236 62.100 0.001 0.000 1.013 409 T CB -0.094 68.774 68.868 0.001 0.000 0.982 409 T HN 0.336 nan 8.240 nan 0.000 0.508 410 K N 0.860 121.261 120.400 0.002 0.000 3.160 410 K HA -0.160 4.160 4.320 0.000 0.000 0.280 410 K C -0.465 175.975 176.600 -0.267 0.000 1.154 410 K CA 0.476 56.644 56.287 -0.198 0.000 0.822 410 K CB -1.282 31.042 32.500 -0.295 0.000 1.239 410 K HN 0.550 nan 8.250 nan 0.000 0.489 411 R N 0.338 120.790 120.500 -0.080 0.000 2.460 411 R HA 0.369 4.709 4.340 0.000 0.000 0.303 411 R C 0.717 176.939 176.300 -0.130 0.000 0.968 411 R CA -0.240 55.797 56.100 -0.106 0.000 0.889 411 R CB 1.498 31.754 30.300 -0.074 0.000 1.123 411 R HN 0.167 nan 8.270 nan 0.000 0.455 412 G N 1.391 110.012 108.800 -0.298 0.000 2.594 412 G HA2 0.192 4.152 3.960 0.000 0.000 0.243 412 G HA3 0.192 4.152 3.960 0.000 0.000 0.243 412 G C -0.366 173.845 174.900 -1.148 0.000 1.229 412 G CA -0.337 44.371 45.100 -0.654 0.000 0.843 412 G HN 0.789 nan 8.290 nan 0.000 0.578 413 N N -1.601 116.664 118.700 -0.724 0.000 2.708 413 N HA 0.228 4.968 4.740 0.000 0.000 0.257 413 N C -0.522 175.088 175.510 0.167 0.000 1.373 413 N CA -0.998 51.878 53.050 -0.290 0.000 0.843 413 N CB 1.137 39.561 38.487 -0.106 0.000 1.503 413 N HN 0.199 nan 8.380 nan 0.000 0.504 414 N N -0.191 118.670 118.700 0.268 0.000 2.273 414 N HA 0.077 4.817 4.740 0.000 0.000 0.231 414 N C -0.477 175.146 175.510 0.190 0.000 1.134 414 N CA -0.039 53.191 53.050 0.299 0.000 0.856 414 N CB 0.170 38.829 38.487 0.286 0.000 1.068 414 N HN 0.541 nan 8.380 nan 0.000 0.510 415 D N 0.941 121.422 120.400 0.135 0.000 2.228 415 D HA -0.128 4.512 4.640 0.000 0.000 0.203 415 D C 1.491 177.856 176.300 0.108 0.000 0.988 415 D CA 0.987 55.043 54.000 0.093 0.000 0.864 415 D CB 0.160 40.992 40.800 0.053 0.000 0.928 415 D HN 0.580 nan 8.370 nan 0.000 0.469 416 I N -4.139 116.526 120.570 0.158 0.000 3.569 416 I HA 0.541 4.711 4.170 0.000 0.000 0.334 416 I C 0.602 176.878 176.117 0.265 0.000 1.570 416 I CA -0.421 60.986 61.300 0.179 0.000 1.082 416 I CB 0.392 38.489 38.000 0.163 0.000 1.323 416 I HN -0.055 nan 8.210 nan 0.000 0.489 417 G N 1.769 110.717 108.800 0.247 0.000 2.592 417 G HA2 0.102 4.062 3.960 0.000 0.000 0.684 417 G HA3 0.102 4.062 3.960 0.000 0.000 0.684 417 G C -0.605 174.482 174.900 0.312 0.000 1.291 417 G CA -0.289 44.961 45.100 0.251 0.000 0.891 417 G HN 1.012 nan 8.290 nan 0.000 0.544 418 S N -1.887 113.875 115.700 0.103 0.000 2.615 418 S HA 0.840 5.310 4.470 0.000 0.000 0.269 418 S C 0.823 175.315 174.600 -0.180 0.000 1.161 418 S CA 0.610 58.874 58.200 0.108 0.000 0.817 418 S CB 1.341 64.606 63.200 0.109 0.000 1.131 418 S HN 3.071 nan 8.310 nan 0.000 0.467 419 G N -0.139 108.620 108.800 -0.068 0.000 2.171 419 G HA2 -0.177 3.783 3.960 0.000 0.000 0.238 419 G HA3 -0.177 3.783 3.960 0.000 0.000 0.238 419 G C -0.457 174.315 174.900 -0.214 0.000 1.039 419 G CA -0.170 44.849 45.100 -0.135 0.000 0.759 419 G HN 0.782 nan 8.290 nan 0.000 0.501 420 F N 0.866 120.800 119.950 -0.026 0.000 2.375 420 F HA 0.374 4.901 4.527 0.000 0.000 0.362 420 F C 1.293 177.136 175.800 0.071 0.000 1.129 420 F CA -0.947 57.060 58.000 0.011 0.000 1.154 420 F CB 0.964 39.955 39.000 -0.015 0.000 1.205 420 F HN -0.051 nan 8.300 nan 0.000 0.513 421 N N 1.753 120.586 118.700 0.222 0.000 2.609 421 N HA -0.134 4.606 4.740 0.000 0.000 0.190 421 N C 1.384 177.040 175.510 0.244 0.000 1.157 421 N CA 0.677 53.865 53.050 0.230 0.000 0.918 421 N CB -0.211 38.446 38.487 0.284 0.000 0.978 421 N HN 0.605 nan 8.380 nan 0.000 0.448 422 D N -0.921 119.675 120.400 0.327 0.000 2.346 422 D HA -0.039 4.601 4.640 0.000 0.000 0.206 422 D C 0.664 177.163 176.300 0.332 0.000 1.001 422 D CA 0.153 54.348 54.000 0.325 0.000 0.871 422 D CB -0.049 41.083 40.800 0.553 0.000 0.943 422 D HN -0.092 nan 8.370 nan 0.000 0.518 423 D N 2.075 122.750 120.400 0.457 0.000 2.103 423 D HA -0.116 4.524 4.640 0.000 0.000 0.190 423 D C -0.666 175.925 176.300 0.485 0.000 0.997 423 D CA 1.328 55.674 54.000 0.577 0.000 0.833 423 D CB -1.408 39.573 40.800 0.303 0.000 0.961 423 D HN 0.245 nan 8.370 nan 0.000 0.447 424 P HA -0.136 nan 4.420 nan 0.000 0.216 424 P C 1.746 179.203 177.300 0.261 0.000 1.157 424 P CA 0.980 64.171 63.100 0.152 0.000 0.880 424 P CB -0.077 31.578 31.700 -0.074 0.000 0.791 425 L N -3.071 118.245 121.223 0.155 0.000 2.131 425 L HA -0.131 4.210 4.340 0.000 0.000 0.210 425 L C 2.354 179.248 176.870 0.039 0.000 1.092 425 L CA 1.340 56.235 54.840 0.092 0.000 0.759 425 L CB -0.948 41.123 42.059 0.021 0.000 0.903 425 L HN 0.069 nan 8.230 nan 0.000 0.435 426 W N -0.429 121.020 121.300 0.249 0.000 2.387 426 W HA -0.221 4.439 4.660 0.000 0.000 0.272 426 W C 2.305 178.839 176.519 0.025 0.000 1.224 426 W CA -0.093 57.331 57.345 0.131 0.000 1.210 426 W CB -0.170 29.437 29.460 0.246 0.000 1.125 426 W HN 0.130 nan 8.180 nan 0.000 0.572 427 L N 0.434 121.844 121.223 0.311 0.000 2.056 427 L HA -0.145 4.195 4.340 0.000 0.000 0.207 427 L C 2.009 178.951 176.870 0.120 0.000 1.078 427 L CA 1.826 56.760 54.840 0.156 0.000 0.749 427 L CB -0.758 41.462 42.059 0.268 0.000 0.901 427 L HN 0.006 nan 8.230 nan 0.000 0.433 428 I N -0.642 120.006 120.570 0.130 0.000 2.226 428 I HA -0.287 3.883 4.170 0.000 0.000 0.245 428 I C 2.584 178.722 176.117 0.035 0.000 1.100 428 I CA 1.083 62.461 61.300 0.130 0.000 1.374 428 I CB -0.696 37.420 38.000 0.194 0.000 1.057 428 I HN 0.338 nan 8.210 nan 0.000 0.413 429 A N 1.119 123.811 122.820 -0.213 0.000 1.883 429 A HA -0.163 4.158 4.320 0.000 0.000 0.217 429 A C 2.448 180.025 177.584 -0.012 0.000 1.186 429 A CA 2.103 53.910 52.037 -0.382 0.000 0.624 429 A CB -1.490 17.094 19.000 -0.693 0.000 0.822 429 A HN 0.460 nan 8.150 nan 0.000 0.444 430 G N -0.684 108.142 108.800 0.043 0.000 2.433 430 G HA2 -0.117 3.843 3.960 0.000 0.000 0.216 430 G HA3 -0.117 3.843 3.960 0.000 0.000 0.216 430 G C 1.531 176.492 174.900 0.102 0.000 1.186 430 G CA 1.270 46.411 45.100 0.069 0.000 0.779 430 G HN 0.329 nan 8.290 nan 0.000 0.543 431 V N 1.642 121.616 119.914 0.100 0.000 2.343 431 V HA -0.144 3.976 4.120 0.000 0.000 0.247 431 V C 3.339 179.545 176.094 0.186 0.000 1.051 431 V CA 2.052 64.438 62.300 0.142 0.000 1.036 431 V CB -0.895 31.012 31.823 0.140 0.000 0.654 431 V HN 0.492 nan 8.190 nan 0.000 0.451 432 A N 0.109 123.037 122.820 0.179 0.000 1.865 432 A HA -0.169 4.151 4.320 0.000 0.000 0.217 432 A C 2.453 180.088 177.584 0.085 0.000 1.191 432 A CA 2.302 54.460 52.037 0.202 0.000 0.623 432 A CB -0.936 18.222 19.000 0.263 0.000 0.826 432 A HN 0.586 nan 8.150 nan 0.000 0.444 433 A N -1.599 121.276 122.820 0.093 0.000 1.908 433 A HA -0.148 4.172 4.320 0.000 0.000 0.218 433 A C 2.168 179.771 177.584 0.030 0.000 1.181 433 A CA 1.764 53.829 52.037 0.047 0.000 0.627 433 A CB -0.841 18.205 19.000 0.076 0.000 0.818 433 A HN 0.820 nan 8.150 nan 0.000 0.445 434 Y N 0.331 120.615 120.300 -0.028 0.000 2.200 434 Y HA -0.144 4.406 4.550 0.000 0.000 0.290 434 Y C 1.969 177.807 175.900 -0.104 0.000 1.137 434 Y CA 1.811 59.883 58.100 -0.047 0.000 1.163 434 Y CB -0.174 38.273 38.460 -0.020 0.000 0.988 434 Y HN 0.260 nan 8.280 nan 0.000 0.518 435 I N 0.283 120.781 120.570 -0.119 0.000 2.252 435 I HA -0.285 3.885 4.170 0.000 0.000 0.245 435 I C 2.211 178.098 176.117 -0.382 0.000 1.102 435 I CA 1.479 62.568 61.300 -0.352 0.000 1.385 435 I CB -0.399 37.389 38.000 -0.353 0.000 1.064 435 I HN 0.186 nan 8.210 nan 0.000 0.414 436 K N 0.404 120.610 120.400 -0.325 0.000 2.097 436 K HA -0.245 4.075 4.320 0.000 0.000 0.206 436 K C 2.028 178.499 176.600 -0.216 0.000 1.049 436 K CA 1.556 57.638 56.287 -0.342 0.000 0.933 436 K CB -0.102 32.148 32.500 -0.418 0.000 0.717 436 K HN 0.177 nan 8.250 nan 0.000 0.442 437 E N 0.871 120.923 120.200 -0.246 0.000 2.028 437 E HA -0.122 4.228 4.350 0.000 0.000 0.190 437 E C 1.859 178.266 176.600 -0.322 0.000 0.984 437 E CA 1.959 58.222 56.400 -0.229 0.000 0.800 437 E CB 0.020 29.608 29.700 -0.187 0.000 0.758 437 E HN 0.215 nan 8.360 nan 0.000 0.448 438 S N -1.663 113.750 115.700 -0.478 0.000 2.470 438 S HA 0.242 4.712 4.470 0.000 0.000 0.222 438 S C 1.765 176.152 174.600 -0.354 0.000 1.024 438 S CA 0.483 58.404 58.200 -0.465 0.000 0.931 438 S CB 0.170 62.946 63.200 -0.705 0.000 0.791 438 S HN 0.612 nan 8.310 nan 0.000 0.513 439 G N 1.755 110.336 108.800 -0.366 0.000 2.148 439 G HA2 -0.273 3.687 3.960 0.000 0.000 0.254 439 G HA3 -0.273 3.687 3.960 0.000 0.000 0.254 439 G C -0.091 174.708 174.900 -0.170 0.000 0.981 439 G CA 0.279 45.247 45.100 -0.220 0.000 0.670 439 G HN 0.663 nan 8.290 nan 0.000 0.528 440 D N -0.077 120.175 120.400 -0.246 0.000 2.600 440 D HA 0.280 4.920 4.640 0.000 0.000 0.226 440 D C 1.231 177.562 176.300 0.051 0.000 1.119 440 D CA -0.704 53.282 54.000 -0.024 0.000 1.051 440 D CB -0.585 40.255 40.800 0.066 0.000 1.106 440 D HN 0.475 nan 8.370 nan 0.000 0.491 441 W N 1.754 123.113 121.300 0.100 0.000 2.465 441 W HA 0.077 4.737 4.660 0.000 0.000 0.268 441 W C 2.456 179.036 176.519 0.101 0.000 1.242 441 W CA 0.570 57.977 57.345 0.104 0.000 1.248 441 W CB -0.067 29.425 29.460 0.054 0.000 1.118 441 W HN 0.447 nan 8.180 nan 0.000 0.587 442 G N 0.448 109.421 108.800 0.288 0.000 2.470 442 G HA2 -0.261 3.699 3.960 0.000 0.000 0.220 442 G HA3 -0.261 3.699 3.960 0.000 0.000 0.220 442 G C 1.445 176.448 174.900 0.171 0.000 1.121 442 G CA 0.780 45.998 45.100 0.197 0.000 0.766 442 G HN 0.358 nan 8.290 nan 0.000 0.553 443 I N 0.211 120.893 120.570 0.186 0.000 2.361 443 I HA -0.099 4.071 4.170 0.000 0.000 0.251 443 I C 2.368 178.568 176.117 0.139 0.000 1.133 443 I CA 0.758 62.138 61.300 0.134 0.000 1.413 443 I CB 0.063 38.135 38.000 0.121 0.000 1.073 443 I HN 0.134 nan 8.210 nan 0.000 0.424 444 L N 0.372 121.717 121.223 0.203 0.000 2.265 444 L HA -0.212 4.128 4.340 0.000 0.000 0.215 444 L C 1.547 178.548 176.870 0.219 0.000 1.117 444 L CA 0.939 55.931 54.840 0.254 0.000 0.782 444 L CB -0.649 41.604 42.059 0.324 0.000 0.914 444 L HN 0.285 nan 8.230 nan 0.000 0.441 445 D N -0.755 119.742 120.400 0.161 0.000 2.354 445 D HA -0.036 4.604 4.640 0.000 0.000 0.209 445 D C 0.772 177.133 176.300 0.102 0.000 1.015 445 D CA 0.252 54.328 54.000 0.126 0.000 0.867 445 D CB 0.088 40.948 40.800 0.099 0.000 0.933 445 D HN 0.155 nan 8.370 nan 0.000 0.520 446 E N 1.972 122.225 120.200 0.087 0.000 2.480 446 E HA 0.035 4.385 4.350 0.000 0.000 0.258 446 E C -2.494 174.133 176.600 0.045 0.000 0.984 446 E CA -1.336 55.094 56.400 0.050 0.000 0.930 446 E CB 0.701 30.412 29.700 0.020 0.000 0.936 446 E HN -0.070 nan 8.360 nan 0.000 0.466 447 P HA 0.038 nan 4.420 nan 0.000 0.271 447 P C -1.245 176.053 177.300 -0.004 0.000 1.233 447 P CA -0.003 63.117 63.100 0.033 0.000 0.764 447 P CB 0.755 32.473 31.700 0.031 0.000 0.825 448 V N 6.662 126.573 119.914 -0.005 0.000 2.525 448 V HA 0.400 4.520 4.120 0.000 0.000 0.299 448 V C -2.048 174.029 176.094 -0.029 0.000 1.034 448 V CA -2.111 60.141 62.300 -0.081 0.000 0.863 448 V CB 2.231 33.863 31.823 -0.318 0.000 0.999 448 V HN 0.484 nan 8.190 nan 0.000 0.423 449 P HA 0.365 nan 4.420 nan 0.000 0.276 449 P C -1.189 176.059 177.300 -0.087 0.000 1.261 449 P CA -0.332 62.732 63.100 -0.060 0.000 0.800 449 P CB 0.924 32.631 31.700 0.012 0.000 1.066 450 F N -0.251 119.804 119.950 0.175 0.000 2.427 450 F HA 0.195 4.723 4.527 0.000 0.000 0.346 450 F C 1.016 176.890 175.800 0.124 0.000 1.120 450 F CA 0.173 58.270 58.000 0.163 0.000 1.033 450 F CB 0.163 39.232 39.000 0.115 0.000 1.126 450 F HN 0.371 nan 8.300 nan 0.000 0.462 451 D N 2.733 123.283 120.400 0.249 0.000 2.701 451 D HA -0.319 4.321 4.640 0.000 0.000 0.235 451 D C 0.136 176.537 176.300 0.169 0.000 1.155 451 D CA 1.241 55.359 54.000 0.196 0.000 0.649 451 D CB -1.331 39.663 40.800 0.323 0.000 1.050 451 D HN 0.831 nan 8.370 nan 0.000 0.425 452 N N -0.992 117.769 118.700 0.102 0.000 2.693 452 N HA -0.245 4.495 4.740 0.000 0.000 0.249 452 N C -1.012 174.547 175.510 0.082 0.000 1.119 452 N CA 1.142 54.227 53.050 0.057 0.000 0.717 452 N CB -0.344 38.157 38.487 0.023 0.000 1.071 452 N HN 0.452 nan 8.380 nan 0.000 0.555 453 E N 0.533 120.807 120.200 0.123 0.000 2.166 453 E HA 0.127 4.477 4.350 0.000 0.000 0.279 453 E C -2.187 174.469 176.600 0.093 0.000 1.095 453 E CA -1.539 54.935 56.400 0.123 0.000 0.888 453 E CB 0.384 30.185 29.700 0.168 0.000 1.041 453 E HN 0.227 nan 8.360 nan 0.000 0.414 454 P HA 0.007 nan 4.420 nan 0.000 0.264 454 P C 0.735 178.074 177.300 0.065 0.000 1.193 454 P CA 0.669 63.803 63.100 0.056 0.000 0.763 454 P CB 0.613 32.341 31.700 0.047 0.000 0.810 455 G N 2.629 111.466 108.800 0.061 0.000 2.176 455 G HA2 -0.273 3.687 3.960 0.000 0.000 0.253 455 G HA3 -0.273 3.687 3.960 0.000 0.000 0.253 455 G C 0.819 175.772 174.900 0.087 0.000 0.979 455 G CA 0.445 45.585 45.100 0.066 0.000 0.641 455 G HN 0.624 nan 8.290 nan 0.000 0.530 456 S N -0.423 115.341 115.700 0.107 0.000 2.557 456 S HA 0.446 4.916 4.470 0.000 0.000 0.223 456 S C 0.470 175.149 174.600 0.130 0.000 0.969 456 S CA 0.514 58.810 58.200 0.160 0.000 0.927 456 S CB 0.586 63.927 63.200 0.235 0.000 0.806 456 S HN 0.428 nan 8.310 nan 0.000 0.489 457 E N 2.012 122.251 120.200 0.065 0.000 2.442 457 E HA 0.356 4.706 4.350 0.000 0.000 0.262 457 E C 0.044 176.667 176.600 0.038 0.000 1.004 457 E CA 0.195 56.607 56.400 0.020 0.000 0.928 457 E CB 0.811 30.527 29.700 0.027 0.000 0.937 457 E HN 0.453 nan 8.360 nan 0.000 0.446 458 V N -0.421 119.497 119.914 0.006 0.000 3.147 458 V HA 0.623 4.743 4.120 0.000 0.000 0.306 458 V C -2.743 173.419 176.094 0.114 0.000 1.209 458 V CA -3.093 59.248 62.300 0.067 0.000 1.023 458 V CB 2.006 33.876 31.823 0.077 0.000 1.059 458 V HN 0.394 nan 8.190 nan 0.000 0.435 459 P HA 0.120 nan 4.420 nan 0.000 0.266 459 P C 1.142 178.601 177.300 0.264 0.000 1.193 459 P CA 0.061 63.276 63.100 0.192 0.000 0.770 459 P CB 0.567 32.398 31.700 0.219 0.000 0.836 460 L N 2.730 124.080 121.223 0.212 0.000 2.043 460 L HA -0.236 4.104 4.340 0.000 0.000 0.212 460 L C 2.010 179.055 176.870 0.291 0.000 1.075 460 L CA 1.851 56.803 54.840 0.186 0.000 0.752 460 L CB -0.523 41.595 42.059 0.099 0.000 0.891 460 L HN 0.363 nan 8.230 nan 0.000 0.432 461 F N 1.258 121.328 119.950 0.199 0.000 2.154 461 F HA -0.326 4.201 4.527 0.000 0.000 0.301 461 F C 2.403 178.374 175.800 0.286 0.000 1.087 461 F CA 2.110 60.249 58.000 0.232 0.000 1.274 461 F CB -0.082 39.028 39.000 0.182 0.000 1.009 461 F HN 0.166 nan 8.300 nan 0.000 0.485 462 E N -0.375 119.996 120.200 0.285 0.000 2.153 462 E HA -0.234 4.116 4.350 0.000 0.000 0.194 462 E C 2.160 178.851 176.600 0.151 0.000 0.988 462 E CA 1.763 58.284 56.400 0.201 0.000 0.811 462 E CB -0.610 29.235 29.700 0.241 0.000 0.746 462 E HN 0.567 nan 8.360 nan 0.000 0.466 463 H N -0.121 119.028 119.070 0.132 0.000 2.353 463 H HA -0.078 4.478 4.556 0.000 0.000 0.300 463 H C 2.109 177.517 175.328 0.133 0.000 1.090 463 H CA 1.633 57.791 56.048 0.183 0.000 1.327 463 H CB 0.011 29.835 29.762 0.104 0.000 1.383 463 H HN 0.242 nan 8.280 nan 0.000 0.508 464 L N 0.539 121.858 121.223 0.159 0.000 2.083 464 L HA -0.149 4.191 4.340 0.000 0.000 0.209 464 L C 2.906 179.734 176.870 -0.069 0.000 1.083 464 L CA 1.670 56.555 54.840 0.076 0.000 0.752 464 L CB -0.760 41.340 42.059 0.068 0.000 0.899 464 L HN 0.387 nan 8.230 nan 0.000 0.433 465 T N -2.686 111.804 114.554 -0.107 0.000 2.821 465 T HA -0.128 4.222 4.350 0.000 0.000 0.267 465 T C 2.082 176.802 174.700 0.033 0.000 1.046 465 T CA 0.482 62.521 62.100 -0.101 0.000 1.139 465 T CB -0.132 68.792 68.868 0.094 0.000 0.871 465 T HN 0.148 nan 8.240 nan 0.000 0.454 466 R N 1.501 122.060 120.500 0.099 0.000 2.075 466 R HA 0.115 4.455 4.340 0.000 0.000 0.232 466 R C 2.940 179.336 176.300 0.160 0.000 1.126 466 R CA 1.362 57.540 56.100 0.130 0.000 0.963 466 R CB -1.392 28.996 30.300 0.146 0.000 0.858 466 R HN 0.478 nan 8.270 nan 0.000 0.435 467 S N 1.115 116.912 115.700 0.161 0.000 2.356 467 S HA -0.131 4.339 4.470 0.000 0.000 0.223 467 S C 1.686 176.402 174.600 0.194 0.000 1.032 467 S CA 1.292 59.600 58.200 0.179 0.000 1.005 467 S CB -0.415 62.902 63.200 0.196 0.000 0.867 467 S HN 0.314 nan 8.310 nan 0.000 0.449 468 F N 2.428 122.329 119.950 -0.081 0.000 2.102 468 F HA -0.169 4.358 4.527 0.000 0.000 0.298 468 F C 2.604 178.426 175.800 0.038 0.000 1.105 468 F CA 1.459 59.397 58.000 -0.102 0.000 1.239 468 F CB -0.235 38.357 39.000 -0.681 0.000 0.991 468 F HN 0.082 nan 8.300 nan 0.000 0.474 469 Q N -0.263 119.591 119.800 0.091 0.000 2.170 469 Q HA -0.215 4.125 4.340 0.000 0.000 0.203 469 Q C 2.148 178.097 176.000 -0.086 0.000 0.976 469 Q CA 1.557 57.356 55.803 -0.006 0.000 0.858 469 Q CB -0.993 27.798 28.738 0.089 0.000 0.907 469 Q HN 0.589 nan 8.270 nan 0.000 0.433 470 F N 1.425 121.315 119.950 -0.099 0.000 2.126 470 F HA -0.237 4.290 4.527 0.000 0.000 0.299 470 F C 2.060 177.755 175.800 -0.175 0.000 1.096 470 F CA 1.820 59.759 58.000 -0.103 0.000 1.255 470 F CB -0.220 38.756 39.000 -0.039 0.000 0.997 470 F HN 0.001 nan 8.300 nan 0.000 0.479 471 T N -0.073 114.447 114.554 -0.057 0.000 2.857 471 T HA -0.115 4.235 4.350 0.000 0.000 0.266 471 T C 2.168 176.505 174.700 -0.605 0.000 1.048 471 T CA 1.363 63.295 62.100 -0.280 0.000 1.139 471 T CB -0.553 68.197 68.868 -0.197 0.000 0.874 471 T HN 0.127 nan 8.240 nan 0.000 0.455 472 V N 1.764 121.273 119.914 -0.674 0.000 2.287 472 V HA -0.173 3.947 4.120 0.000 0.000 0.248 472 V C 2.090 177.826 176.094 -0.596 0.000 1.053 472 V CA 1.655 63.474 62.300 -0.802 0.000 1.027 472 V CB -0.580 30.699 31.823 -0.908 0.000 0.646 472 V HN 0.554 nan 8.190 nan 0.000 0.447 473 Q N 0.229 119.742 119.800 -0.478 0.000 2.253 473 Q HA 0.138 4.479 4.340 0.000 0.000 0.210 473 Q C -0.032 175.709 176.000 -0.432 0.000 0.907 473 Q CA 0.060 55.630 55.803 -0.388 0.000 0.948 473 Q CB 0.034 28.592 28.738 -0.299 0.000 1.033 473 Q HN 0.565 nan 8.270 nan 0.000 0.471 474 N N 0.920 119.329 118.700 -0.484 0.000 2.651 474 N HA 0.189 4.929 4.740 0.000 0.000 0.277 474 N C -1.098 174.211 175.510 -0.335 0.000 1.787 474 N CA -0.046 52.733 53.050 -0.451 0.000 0.818 474 N CB 0.878 38.949 38.487 -0.692 0.000 1.316 474 N HN 0.074 nan 8.380 nan 0.000 0.503 475 R N -0.582 119.743 120.500 -0.292 0.000 2.668 475 R HA 0.638 4.978 4.340 0.000 0.000 0.279 475 R C 0.830 177.030 176.300 -0.168 0.000 0.976 475 R CA -0.625 55.337 56.100 -0.230 0.000 0.978 475 R CB 1.567 31.718 30.300 -0.249 0.000 1.133 475 R HN 0.095 nan 8.270 nan 0.000 0.484 476 G N 0.920 109.647 108.800 -0.120 0.000 2.510 476 G HA2 0.172 4.132 3.960 0.000 0.000 0.280 476 G HA3 0.172 4.132 3.960 0.000 0.000 0.280 476 G C -1.548 173.279 174.900 -0.123 0.000 1.386 476 G CA -0.937 44.099 45.100 -0.107 0.000 1.047 476 G HN 0.387 nan 8.290 nan 0.000 0.527 477 P HA -0.106 nan 4.420 nan 0.000 0.222 477 P C 0.527 177.590 177.300 -0.396 0.000 1.147 477 P CA 1.300 64.235 63.100 -0.274 0.000 0.790 477 P CB 0.055 31.554 31.700 -0.334 0.000 0.780 478 H N -1.439 117.441 119.070 -0.317 0.000 2.539 478 H HA 0.338 4.894 4.556 0.000 0.000 0.269 478 H C 1.554 176.847 175.328 -0.058 0.000 0.980 478 H CA 0.809 56.637 56.048 -0.367 0.000 1.152 478 H CB -0.301 29.181 29.762 -0.467 0.000 1.407 478 H HN 0.172 nan 8.280 nan 0.000 0.564 479 G N 0.349 109.156 108.800 0.011 0.000 2.159 479 G HA2 -0.272 3.688 3.960 0.000 0.000 0.256 479 G HA3 -0.272 3.688 3.960 0.000 0.000 0.256 479 G C 0.005 174.903 174.900 -0.003 0.000 0.977 479 G CA 0.084 45.191 45.100 0.011 0.000 0.652 479 G HN 0.273 nan 8.290 nan 0.000 0.531 480 L N 0.664 121.902 121.223 0.024 0.000 2.343 480 L HA 0.469 4.809 4.340 0.000 0.000 0.275 480 L C -1.944 174.887 176.870 -0.064 0.000 1.056 480 L CA -2.443 52.403 54.840 0.010 0.000 0.804 480 L CB 1.255 43.371 42.059 0.095 0.000 1.203 480 L HN -0.171 nan 8.230 nan 0.000 0.440 481 P HA 0.021 nan 4.420 nan 0.000 0.265 481 P C -0.584 176.681 177.300 -0.058 0.000 1.193 481 P CA 0.051 63.072 63.100 -0.132 0.000 0.765 481 P CB 0.362 31.991 31.700 -0.119 0.000 0.823 482 L N 4.082 125.256 121.223 -0.082 0.000 2.453 482 L HA 0.116 4.456 4.340 0.000 0.000 0.272 482 L C 1.994 178.874 176.870 0.015 0.000 1.182 482 L CA 0.150 54.963 54.840 -0.045 0.000 0.858 482 L CB 0.263 42.270 42.059 -0.086 0.000 1.120 482 L HN 0.487 nan 8.230 nan 0.000 0.474 483 I N 1.334 121.921 120.570 0.029 0.000 2.406 483 I HA 0.005 4.175 4.170 0.000 0.000 0.249 483 I C 1.436 177.583 176.117 0.051 0.000 1.122 483 I CA 1.289 62.623 61.300 0.057 0.000 1.431 483 I CB -0.012 38.010 38.000 0.037 0.000 1.087 483 I HN 0.931 nan 8.210 nan 0.000 0.424 484 G N 0.778 109.591 108.800 0.022 0.000 2.539 484 G HA2 -0.461 3.499 3.960 0.000 0.000 0.256 484 G HA3 -0.461 3.499 3.960 0.000 0.000 0.256 484 G C 0.762 175.616 174.900 -0.076 0.000 1.233 484 G CA 0.561 45.657 45.100 -0.007 0.000 0.936 484 G HN 0.468 nan 8.290 nan 0.000 0.571 485 R N 0.528 120.907 120.500 -0.201 0.000 2.113 485 R HA 0.310 4.650 4.340 0.000 0.000 0.244 485 R C 1.233 177.367 176.300 -0.276 0.000 1.142 485 R CA 3.521 59.398 56.100 -0.372 0.000 0.953 485 R CB -0.700 29.075 30.300 -0.875 0.000 0.860 485 R HN 2.431 nan 8.270 nan 0.000 0.438 486 A N -1.197 121.519 122.820 -0.173 0.000 2.517 486 A HA 0.351 4.671 4.320 0.000 0.000 0.296 486 A C -1.471 176.236 177.584 0.204 0.000 0.983 486 A CA -0.441 51.619 52.037 0.039 0.000 0.634 486 A CB 0.059 19.124 19.000 0.108 0.000 1.341 486 A HN 0.345 nan 8.150 nan 0.000 0.438 487 D N -0.813 119.701 120.400 0.190 0.000 2.440 487 D HA 0.301 4.941 4.640 0.000 0.000 0.282 487 D C 1.194 177.635 176.300 0.235 0.000 1.189 487 D CA 0.302 54.464 54.000 0.270 0.000 1.105 487 D CB -0.599 40.370 40.800 0.282 0.000 1.173 487 D HN 0.715 nan 8.370 nan 0.000 0.577 488 W N 0.568 121.846 121.300 -0.037 0.000 2.325 488 W HA -0.098 4.562 4.660 0.000 0.000 0.299 488 W C 0.520 176.950 176.519 -0.147 0.000 1.215 488 W CA 1.325 58.609 57.345 -0.101 0.000 1.244 488 W CB -0.233 28.931 29.460 -0.493 0.000 1.140 488 W HN 0.162 nan 8.180 nan 0.000 0.523 489 N N 1.821 120.355 118.700 -0.277 0.000 2.399 489 N HA -0.062 4.678 4.740 0.000 0.000 0.259 489 N C 0.394 175.736 175.510 -0.280 0.000 1.160 489 N CA 0.503 53.272 53.050 -0.468 0.000 0.946 489 N CB 0.387 38.848 38.487 -0.043 0.000 1.156 489 N HN 0.122 nan 8.380 nan 0.000 0.489 490 D N 2.049 122.219 120.400 -0.383 0.000 2.263 490 D HA -0.087 4.553 4.640 0.000 0.000 0.208 490 D C 0.980 177.269 176.300 -0.018 0.000 0.971 490 D CA 0.970 54.911 54.000 -0.099 0.000 0.867 490 D CB 0.196 40.905 40.800 -0.151 0.000 0.929 490 D HN 0.540 nan 8.370 nan 0.000 0.492 491 C N 0.163 119.409 119.300 -0.090 0.000 2.791 491 C HA 0.251 4.711 4.460 0.000 0.000 0.270 491 C C 0.913 175.876 174.990 -0.045 0.000 1.257 491 C CA -0.733 58.245 59.018 -0.066 0.000 1.699 491 C CB -0.868 26.849 27.740 -0.039 0.000 1.904 491 C HN 0.120 nan 8.230 nan 0.000 0.603 492 L N 3.193 124.410 121.223 -0.010 0.000 2.397 492 L HA 0.359 4.699 4.340 0.000 0.000 0.263 492 L C -0.748 176.088 176.870 -0.058 0.000 1.136 492 L CA 0.205 55.033 54.840 -0.021 0.000 1.019 492 L CB -1.056 40.988 42.059 -0.025 0.000 1.352 492 L HN 0.225 nan 8.230 nan 0.000 0.420 493 N N 4.543 123.193 118.700 -0.083 0.000 2.609 493 N HA 0.280 5.020 4.740 0.000 0.000 0.234 493 N C 0.538 175.957 175.510 -0.151 0.000 1.001 493 N CA -0.313 52.690 53.050 -0.078 0.000 0.926 493 N CB 1.029 39.512 38.487 -0.007 0.000 1.130 493 N HN 0.475 nan 8.380 nan 0.000 0.510 494 L N 0.508 121.655 121.223 -0.127 0.000 2.591 494 L HA 0.172 4.512 4.340 0.000 0.000 0.228 494 L C 0.481 177.331 176.870 -0.034 0.000 1.133 494 L CA 0.377 55.124 54.840 -0.155 0.000 0.880 494 L CB 0.004 42.018 42.059 -0.076 0.000 1.033 494 L HN 0.492 nan 8.230 nan 0.000 0.450 495 N N -1.417 117.297 118.700 0.023 0.000 2.467 495 N HA 0.110 4.850 4.740 0.000 0.000 0.278 495 N C 0.499 176.068 175.510 0.098 0.000 1.306 495 N CA 0.038 53.196 53.050 0.180 0.000 0.905 495 N CB 0.936 39.525 38.487 0.171 0.000 1.236 495 N HN 0.165 nan 8.380 nan 0.000 0.509 496 C N -0.757 118.526 119.300 -0.027 0.000 2.654 496 C HA 0.319 4.779 4.460 0.000 0.000 0.288 496 C C 0.224 175.273 174.990 0.099 0.000 1.578 496 C CA 0.172 59.192 59.018 0.004 0.000 1.941 496 C CB -0.857 26.889 27.740 0.010 0.000 1.856 496 C HN 0.504 nan 8.230 nan 0.000 0.706 497 F N 2.231 122.145 119.950 -0.060 0.000 2.891 497 F HA -0.124 4.403 4.527 0.000 0.000 0.272 497 F C 0.483 176.268 175.800 -0.025 0.000 1.004 497 F CA 0.747 58.706 58.000 -0.069 0.000 0.938 497 F CB -1.805 37.107 39.000 -0.147 0.000 0.939 497 F HN 0.296 nan 8.300 nan 0.000 0.833 498 S N 0.210 115.973 115.700 0.105 0.000 2.525 498 S HA 0.611 5.081 4.470 0.000 0.000 0.278 498 S C 0.913 175.571 174.600 0.096 0.000 1.234 498 S CA 0.241 58.452 58.200 0.017 0.000 1.058 498 S CB 1.126 64.190 63.200 -0.227 0.000 0.983 498 S HN 0.457 nan 8.310 nan 0.000 0.495 499 T N 0.359 114.937 114.554 0.040 0.000 3.111 499 T HA 0.247 4.597 4.350 0.000 0.000 0.284 499 T C 0.103 174.792 174.700 -0.018 0.000 0.983 499 T CA -0.287 61.849 62.100 0.060 0.000 0.900 499 T CB -0.056 68.853 68.868 0.069 0.000 1.132 499 T HN 0.491 nan 8.240 nan 0.000 0.531 500 T N 5.847 120.357 114.554 -0.074 0.000 2.727 500 T HA 0.446 4.796 4.350 0.000 0.000 0.298 500 T C -2.387 172.230 174.700 -0.138 0.000 0.942 500 T CA -1.032 61.011 62.100 -0.094 0.000 0.997 500 T CB 1.134 69.943 68.868 -0.098 0.000 0.917 500 T HN 0.274 nan 8.240 nan 0.000 0.487 501 P HA 0.263 nan 4.420 nan 0.000 0.272 501 P C 1.023 178.258 177.300 -0.109 0.000 1.223 501 P CA 0.117 63.148 63.100 -0.115 0.000 0.784 501 P CB 0.697 32.347 31.700 -0.082 0.000 0.923 502 G N 1.202 109.938 108.800 -0.106 0.000 2.284 502 G HA2 -0.290 3.670 3.960 0.000 0.000 0.261 502 G HA3 -0.290 3.670 3.960 0.000 0.000 0.261 502 G C 0.193 175.036 174.900 -0.095 0.000 0.997 502 G CA 0.530 45.581 45.100 -0.082 0.000 0.621 502 G HN 0.742 nan 8.290 nan 0.000 0.534 503 E N 1.282 121.393 120.200 -0.149 0.000 2.194 503 E HA 0.541 4.891 4.350 0.000 0.000 0.284 503 E C 0.635 177.105 176.600 -0.217 0.000 1.035 503 E CA 0.067 56.372 56.400 -0.158 0.000 0.836 503 E CB 0.582 30.182 29.700 -0.167 0.000 1.070 503 E HN 0.223 nan 8.360 nan 0.000 0.401 504 S N 4.022 119.661 115.700 -0.102 0.000 2.563 504 S HA -0.054 4.416 4.470 0.000 0.000 0.294 504 S C 0.645 175.215 174.600 -0.050 0.000 1.279 504 S CA -0.157 58.031 58.200 -0.020 0.000 1.069 504 S CB 0.130 63.353 63.200 0.039 0.000 0.828 504 S HN 0.564 nan 8.310 nan 0.000 0.497 505 F N 2.668 122.607 119.950 -0.018 0.000 2.293 505 F HA -0.049 4.478 4.527 0.000 0.000 0.300 505 F C 2.544 178.340 175.800 -0.008 0.000 1.086 505 F CA 0.731 58.719 58.000 -0.019 0.000 1.375 505 F CB -0.238 38.749 39.000 -0.021 0.000 1.045 505 F HN 0.542 nan 8.300 nan 0.000 0.516 506 Q N -0.295 119.635 119.800 0.218 0.000 2.119 506 Q HA -0.125 4.215 4.340 0.000 0.000 0.201 506 Q C 2.255 178.325 176.000 0.116 0.000 0.972 506 Q CA 2.094 58.011 55.803 0.190 0.000 0.847 506 Q CB -1.124 27.738 28.738 0.207 0.000 0.903 506 Q HN 0.535 nan 8.270 nan 0.000 0.433 507 T N -4.153 110.444 114.554 0.071 0.000 2.990 507 T HA 0.091 4.441 4.350 0.000 0.000 0.249 507 T C 1.076 175.773 174.700 -0.005 0.000 1.039 507 T CA 0.161 62.285 62.100 0.040 0.000 1.036 507 T CB 0.056 68.951 68.868 0.044 0.000 0.994 507 T HN -0.012 nan 8.240 nan 0.000 0.489 508 T N 2.592 117.124 114.554 -0.035 0.000 2.934 508 T HA 0.079 4.429 4.350 0.000 0.000 0.306 508 T C 0.059 174.728 174.700 -0.053 0.000 1.042 508 T CA -0.139 61.920 62.100 -0.067 0.000 1.145 508 T CB 0.198 68.982 68.868 -0.139 0.000 0.982 508 T HN 0.563 nan 8.240 nan 0.000 0.544 509 E N 3.397 123.569 120.200 -0.046 0.000 2.502 509 E HA -0.034 4.316 4.350 0.000 0.000 0.261 509 E C -0.093 176.487 176.600 -0.032 0.000 0.974 509 E CA -0.222 56.156 56.400 -0.037 0.000 0.936 509 E CB 0.343 30.025 29.700 -0.030 0.000 0.926 509 E HN 0.510 nan 8.360 nan 0.000 0.459 510 N N 2.471 121.155 118.700 -0.027 0.000 2.472 510 N HA 0.142 4.882 4.740 0.000 0.000 0.289 510 N C -1.031 174.488 175.510 0.016 0.000 1.156 510 N CA -0.498 52.548 53.050 -0.005 0.000 0.940 510 N CB 1.208 39.684 38.487 -0.019 0.000 1.200 510 N HN 0.415 nan 8.380 nan 0.000 0.511 511 Q N 0.565 120.394 119.800 0.048 0.000 2.286 511 Q HA 0.443 4.783 4.340 0.000 0.000 0.257 511 Q C -0.237 175.837 176.000 0.123 0.000 0.941 511 Q CA -0.417 55.414 55.803 0.047 0.000 0.912 511 Q CB 1.174 29.888 28.738 -0.039 0.000 1.192 511 Q HN 0.630 nan 8.270 nan 0.000 0.410 512 A N 1.716 124.591 122.820 0.091 0.000 2.296 512 A HA 0.674 4.994 4.320 0.000 0.000 0.264 512 A C 0.796 178.477 177.584 0.163 0.000 1.097 512 A CA 0.697 52.788 52.037 0.090 0.000 0.811 512 A CB -0.103 18.917 19.000 0.034 0.000 1.072 512 A HN 0.915 nan 8.150 nan 0.000 0.495 513 G N -1.028 107.812 108.800 0.066 0.000 2.593 513 G HA2 0.494 4.454 3.960 0.000 0.000 0.237 513 G HA3 0.494 4.454 3.960 0.000 0.000 0.237 513 G C 1.214 175.966 174.900 -0.246 0.000 1.312 513 G CA 0.445 45.535 45.100 -0.016 0.000 0.896 513 G HN 3.127 nan 8.290 nan 0.000 0.574 514 G N -3.299 105.126 108.800 -0.625 0.000 2.829 514 G HA2 0.340 4.300 3.960 0.000 0.000 0.628 514 G HA3 0.340 4.300 3.960 0.000 0.000 0.628 514 G C 0.693 175.264 174.900 -0.548 0.000 1.412 514 G CA 1.349 45.685 45.100 -1.273 0.000 0.864 514 G HN 2.482 nan 8.290 nan 0.000 0.544 515 V N -3.026 116.635 119.914 -0.421 0.000 2.991 515 V HA 0.775 4.895 4.120 0.000 0.000 0.355 515 V C 1.165 177.204 176.094 -0.092 0.000 1.384 515 V CA 0.837 63.020 62.300 -0.195 0.000 1.171 515 V CB 0.174 31.913 31.823 -0.140 0.000 1.190 515 V HN 2.486 nan 8.190 nan 0.000 0.540 516 A N 1.047 123.815 122.820 -0.086 0.000 2.545 516 A HA 0.456 4.776 4.320 0.000 0.000 0.253 516 A C 0.349 177.943 177.584 0.018 0.000 1.074 516 A CA 0.550 52.591 52.037 0.006 0.000 0.760 516 A CB -0.220 18.799 19.000 0.032 0.000 1.005 516 A HN 0.783 nan 8.150 nan 0.000 0.506 517 E N 1.156 121.398 120.200 0.069 0.000 2.277 517 E HA 0.545 4.895 4.350 0.000 0.000 0.266 517 E C -0.866 175.777 176.600 0.071 0.000 0.901 517 E CA -0.718 55.724 56.400 0.071 0.000 0.782 517 E CB 2.025 31.790 29.700 0.107 0.000 1.228 517 E HN 0.522 nan 8.360 nan 0.000 0.424 518 S N 1.053 116.793 115.700 0.065 0.000 2.498 518 S HA 0.200 4.670 4.470 0.000 0.000 0.317 518 S C 0.564 175.218 174.600 0.090 0.000 1.090 518 S CA -0.656 57.589 58.200 0.075 0.000 1.089 518 S CB 1.152 64.424 63.200 0.120 0.000 0.997 518 S HN 0.348 nan 8.310 nan 0.000 0.470 519 V N 5.907 125.873 119.914 0.086 0.000 2.667 519 V HA -0.024 4.096 4.120 0.000 0.000 0.252 519 V C 1.791 177.927 176.094 0.071 0.000 1.065 519 V CA 1.748 64.103 62.300 0.092 0.000 1.083 519 V CB -1.049 30.840 31.823 0.110 0.000 0.692 519 V HN 0.928 nan 8.190 nan 0.000 0.468 520 F N 0.957 120.904 119.950 -0.006 0.000 2.113 520 F HA -0.154 4.373 4.527 0.000 0.000 0.297 520 F C 2.096 177.847 175.800 -0.082 0.000 1.103 520 F CA 1.775 59.746 58.000 -0.047 0.000 1.248 520 F CB -0.169 38.823 39.000 -0.013 0.000 0.999 520 F HN 0.055 nan 8.300 nan 0.000 0.475 521 I N 0.485 121.064 120.570 0.015 0.000 2.361 521 I HA -0.290 3.880 4.170 0.000 0.000 0.251 521 I C 2.674 178.723 176.117 -0.112 0.000 1.133 521 I CA 0.986 62.238 61.300 -0.079 0.000 1.413 521 I CB -0.988 37.072 38.000 0.099 0.000 1.073 521 I HN 0.300 nan 8.210 nan 0.000 0.424 522 A N 1.015 123.796 122.820 -0.064 0.000 1.877 522 A HA -0.186 4.134 4.320 0.000 0.000 0.216 522 A C 2.588 180.161 177.584 -0.017 0.000 1.186 522 A CA 1.980 54.012 52.037 -0.007 0.000 0.620 522 A CB -0.846 18.166 19.000 0.020 0.000 0.822 522 A HN 0.420 nan 8.150 nan 0.000 0.443 523 A N -0.890 121.838 122.820 -0.152 0.000 1.902 523 A HA -0.223 4.097 4.320 0.000 0.000 0.217 523 A C 2.229 179.711 177.584 -0.170 0.000 1.181 523 A CA 1.844 53.773 52.037 -0.179 0.000 0.623 523 A CB -0.639 18.220 19.000 -0.235 0.000 0.818 523 A HN 0.682 nan 8.150 nan 0.000 0.443 524 Q N -1.568 118.013 119.800 -0.365 0.000 2.096 524 Q HA -0.217 4.123 4.340 0.000 0.000 0.204 524 Q C 1.885 177.829 176.000 -0.093 0.000 0.982 524 Q CA 1.966 57.568 55.803 -0.335 0.000 0.850 524 Q CB -0.281 28.000 28.738 -0.761 0.000 0.901 524 Q HN 0.685 nan 8.270 nan 0.000 0.422 525 F N 0.096 119.957 119.950 -0.148 0.000 2.146 525 F HA -0.172 4.355 4.527 0.000 0.000 0.298 525 F C 1.860 177.674 175.800 0.024 0.000 1.096 525 F CA 1.163 59.144 58.000 -0.031 0.000 1.275 525 F CB -0.063 38.896 39.000 -0.069 0.000 1.008 525 F HN -0.090 nan 8.300 nan 0.000 0.480 526 V N 0.410 120.329 119.914 0.008 0.000 2.307 526 V HA -0.270 3.850 4.120 0.000 0.000 0.245 526 V C 2.282 178.283 176.094 -0.155 0.000 1.045 526 V CA 1.752 64.015 62.300 -0.062 0.000 1.024 526 V CB -0.754 31.066 31.823 -0.004 0.000 0.651 526 V HN 0.424 nan 8.190 nan 0.000 0.449 527 L N -0.304 120.772 121.223 -0.246 0.000 1.976 527 L HA -0.165 4.175 4.340 0.000 0.000 0.209 527 L C 2.240 178.937 176.870 -0.289 0.000 1.071 527 L CA 2.150 56.761 54.840 -0.381 0.000 0.746 527 L CB -0.726 40.898 42.059 -0.725 0.000 0.890 527 L HN 0.407 nan 8.230 nan 0.000 0.432 528 Y N -1.070 119.237 120.300 0.011 0.000 2.544 528 Y HA 0.099 4.649 4.550 0.000 0.000 0.286 528 Y C 2.301 178.234 175.900 0.056 0.000 1.141 528 Y CA 0.191 58.331 58.100 0.067 0.000 1.299 528 Y CB -0.427 38.087 38.460 0.091 0.000 1.030 528 Y HN 0.309 nan 8.280 nan 0.000 0.543 529 G N 0.124 108.922 108.800 -0.004 0.000 2.421 529 G HA2 -0.197 3.763 3.960 0.000 0.000 0.217 529 G HA3 -0.197 3.763 3.960 0.000 0.000 0.217 529 G C 1.844 176.798 174.900 0.090 0.000 1.143 529 G CA 0.819 45.907 45.100 -0.019 0.000 0.784 529 G HN 0.426 nan 8.290 nan 0.000 0.541 530 A N 0.869 123.719 122.820 0.050 0.000 1.930 530 A HA 0.007 4.327 4.320 0.000 0.000 0.217 530 A C 2.230 179.891 177.584 0.129 0.000 1.175 530 A CA 1.785 53.867 52.037 0.074 0.000 0.627 530 A CB -0.239 18.791 19.000 0.050 0.000 0.815 530 A HN 0.277 nan 8.150 nan 0.000 0.443 531 E N -1.080 119.244 120.200 0.207 0.000 2.106 531 E HA -0.194 4.156 4.350 0.000 0.000 0.192 531 E C 1.800 178.540 176.600 0.234 0.000 0.984 531 E CA 1.431 58.001 56.400 0.282 0.000 0.806 531 E CB -0.569 29.362 29.700 0.386 0.000 0.750 531 E HN 0.817 nan 8.360 nan 0.000 0.458 532 Y N 1.691 122.047 120.300 0.093 0.000 2.145 532 Y HA -0.199 4.351 4.550 0.000 0.000 0.286 532 Y C 2.337 178.220 175.900 -0.029 0.000 1.145 532 Y CA 1.644 59.747 58.100 0.006 0.000 1.148 532 Y CB -0.528 37.826 38.460 -0.177 0.000 0.981 532 Y HN 0.003 nan 8.280 nan 0.000 0.507 533 A N -0.408 122.335 122.820 -0.128 0.000 1.892 533 A HA -0.248 4.072 4.320 0.000 0.000 0.218 533 A C 2.251 179.748 177.584 -0.144 0.000 1.188 533 A CA 2.606 54.537 52.037 -0.177 0.000 0.631 533 A CB -1.468 17.509 19.000 -0.039 0.000 0.822 533 A HN 0.541 nan 8.150 nan 0.000 0.447 534 T N 0.475 114.996 114.554 -0.056 0.000 2.708 534 T HA -0.089 4.261 4.350 0.000 0.000 0.266 534 T C 1.802 176.440 174.700 -0.103 0.000 1.037 534 T CA 1.500 63.562 62.100 -0.064 0.000 1.146 534 T CB -0.400 68.463 68.868 -0.009 0.000 0.865 534 T HN 0.384 nan 8.240 nan 0.000 0.435 535 L N 0.679 121.879 121.223 -0.038 0.000 2.083 535 L HA -0.065 4.275 4.340 0.000 0.000 0.209 535 L C 3.037 179.891 176.870 -0.025 0.000 1.083 535 L CA 1.149 56.042 54.840 0.089 0.000 0.752 535 L CB -0.689 41.531 42.059 0.268 0.000 0.899 535 L HN 0.248 nan 8.230 nan 0.000 0.433 536 A N -0.127 122.609 122.820 -0.139 0.000 1.930 536 A HA -0.222 4.098 4.320 0.000 0.000 0.217 536 A C 2.195 179.646 177.584 -0.222 0.000 1.175 536 A CA 1.684 53.594 52.037 -0.212 0.000 0.627 536 A CB -0.362 18.476 19.000 -0.270 0.000 0.815 536 A HN 0.351 nan 8.150 nan 0.000 0.443 537 E N 0.213 120.305 120.200 -0.180 0.000 2.051 537 E HA -0.154 4.196 4.350 0.000 0.000 0.192 537 E C 2.115 178.592 176.600 -0.204 0.000 0.991 537 E CA 1.188 57.492 56.400 -0.160 0.000 0.799 537 E CB -0.178 29.448 29.700 -0.124 0.000 0.748 537 E HN 0.365 nan 8.360 nan 0.000 0.449 538 R N 0.190 120.542 120.500 -0.248 0.000 2.152 538 R HA 0.016 4.356 4.340 0.000 0.000 0.232 538 R C 1.833 177.913 176.300 -0.367 0.000 1.117 538 R CA 0.698 56.575 56.100 -0.372 0.000 0.981 538 R CB -0.346 29.600 30.300 -0.591 0.000 0.870 538 R HN 0.121 nan 8.270 nan 0.000 0.451 539 R N -0.255 120.048 120.500 -0.328 0.000 2.313 539 R HA 0.066 4.406 4.340 0.000 0.000 0.199 539 R C 0.873 177.012 176.300 -0.269 0.000 0.958 539 R CA 0.674 56.565 56.100 -0.349 0.000 1.047 539 R CB -0.178 29.772 30.300 -0.583 0.000 0.955 539 R HN 0.451 nan 8.270 nan 0.000 0.481 540 G N 0.687 109.353 108.800 -0.222 0.000 2.132 540 G HA2 -0.224 3.736 3.960 0.000 0.000 0.234 540 G HA3 -0.224 3.736 3.960 0.000 0.000 0.234 540 G C -0.223 174.601 174.900 -0.126 0.000 0.989 540 G CA -0.274 44.732 45.100 -0.157 0.000 0.676 540 G HN 0.167 nan 8.290 nan 0.000 0.522 541 L N 1.282 122.419 121.223 -0.143 0.000 2.598 541 L HA 0.696 5.036 4.340 0.000 0.000 0.241 541 L C 1.935 178.769 176.870 -0.060 0.000 1.244 541 L CA 0.498 55.288 54.840 -0.083 0.000 1.198 541 L CB 0.100 42.116 42.059 -0.072 0.000 1.448 541 L HN 0.326 nan 8.230 nan 0.000 0.406 542 A N 0.264 123.051 122.820 -0.054 0.000 1.873 542 A HA -0.207 4.113 4.320 0.000 0.000 0.218 542 A C 1.907 179.480 177.584 -0.019 0.000 1.193 542 A CA 1.950 53.961 52.037 -0.042 0.000 0.629 542 A CB -0.248 18.729 19.000 -0.038 0.000 0.826 542 A HN 0.537 nan 8.150 nan 0.000 0.447 543 D N -0.365 120.033 120.400 -0.002 0.000 2.097 543 D HA -0.103 4.537 4.640 0.000 0.000 0.195 543 D C 2.092 178.413 176.300 0.035 0.000 0.989 543 D CA 1.473 55.482 54.000 0.015 0.000 0.827 543 D CB -0.612 40.204 40.800 0.027 0.000 0.966 543 D HN 0.211 nan 8.370 nan 0.000 0.456 544 V N 1.470 121.416 119.914 0.054 0.000 2.287 544 V HA -0.268 3.852 4.120 0.000 0.000 0.248 544 V C 2.535 178.664 176.094 0.058 0.000 1.053 544 V CA 1.920 64.282 62.300 0.103 0.000 1.027 544 V CB -0.904 31.004 31.823 0.142 0.000 0.646 544 V HN 0.199 nan 8.190 nan 0.000 0.447 545 A N -0.269 122.543 122.820 -0.012 0.000 1.877 545 A HA -0.240 4.080 4.320 0.000 0.000 0.216 545 A C 2.411 179.989 177.584 -0.010 0.000 1.186 545 A CA 2.599 54.605 52.037 -0.051 0.000 0.620 545 A CB -1.102 17.852 19.000 -0.075 0.000 0.822 545 A HN 0.502 nan 8.150 nan 0.000 0.443 546 T N -0.507 114.044 114.554 -0.006 0.000 2.684 546 T HA -0.192 4.158 4.350 0.000 0.000 0.267 546 T C 1.882 176.576 174.700 -0.010 0.000 1.036 546 T CA 1.636 63.732 62.100 -0.006 0.000 1.148 546 T CB -0.284 68.577 68.868 -0.010 0.000 0.863 546 T HN 0.689 nan 8.240 nan 0.000 0.436 547 E N 0.806 121.002 120.200 -0.006 0.000 2.058 547 E HA -0.171 4.179 4.350 0.000 0.000 0.194 547 E C 2.468 179.052 176.600 -0.027 0.000 0.997 547 E CA 1.116 57.474 56.400 -0.070 0.000 0.801 547 E CB -0.253 29.455 29.700 0.013 0.000 0.746 547 E HN 0.461 nan 8.360 nan 0.000 0.450 548 A N 1.279 124.198 122.820 0.164 0.000 1.917 548 A HA -0.229 4.091 4.320 0.000 0.000 0.219 548 A C 2.160 179.949 177.584 0.341 0.000 1.182 548 A CA 1.810 54.054 52.037 0.345 0.000 0.633 548 A CB -0.566 18.426 19.000 -0.015 0.000 0.819 548 A HN 0.223 nan 8.150 nan 0.000 0.448 549 R N -0.691 119.896 120.500 0.146 0.000 2.148 549 R HA -0.075 4.265 4.340 0.000 0.000 0.227 549 R C 2.299 178.677 176.300 0.129 0.000 1.103 549 R CA 1.361 57.537 56.100 0.126 0.000 0.983 549 R CB -0.216 30.120 30.300 0.059 0.000 0.874 549 R HN 0.636 nan 8.270 nan 0.000 0.451 550 K N 0.444 120.878 120.400 0.057 0.000 2.025 550 K HA -0.159 4.161 4.320 0.000 0.000 0.207 550 K C 1.673 178.354 176.600 0.135 0.000 1.049 550 K CA 1.457 57.749 56.287 0.010 0.000 0.933 550 K CB -0.114 32.294 32.500 -0.152 0.000 0.714 550 K HN 0.225 nan 8.250 nan 0.000 0.438 551 Y N 0.419 120.884 120.300 0.275 0.000 2.181 551 Y HA -0.249 4.301 4.550 0.000 0.000 0.288 551 Y C 2.362 178.513 175.900 0.418 0.000 1.146 551 Y CA 0.672 58.964 58.100 0.320 0.000 1.164 551 Y CB -0.047 38.669 38.460 0.427 0.000 0.982 551 Y HN -0.118 nan 8.280 nan 0.000 0.515 552 V N 0.296 120.554 119.914 0.574 0.000 2.287 552 V HA -0.324 3.796 4.120 0.000 0.000 0.248 552 V C 1.749 178.010 176.094 0.278 0.000 1.053 552 V CA 2.119 64.655 62.300 0.394 0.000 1.027 552 V CB -0.536 31.401 31.823 0.190 0.000 0.646 552 V HN 0.455 nan 8.190 nan 0.000 0.447 553 D N -0.375 120.149 120.400 0.207 0.000 2.144 553 D HA -0.166 4.474 4.640 0.000 0.000 0.199 553 D C 2.185 178.573 176.300 0.146 0.000 0.984 553 D CA 1.272 55.355 54.000 0.139 0.000 0.834 553 D CB -0.080 40.779 40.800 0.098 0.000 0.955 553 D HN 0.596 nan 8.370 nan 0.000 0.465 554 E N 0.321 120.633 120.200 0.187 0.000 2.047 554 E HA -0.105 4.245 4.350 0.000 0.000 0.191 554 E C 2.372 179.060 176.600 0.146 0.000 0.987 554 E CA 0.569 57.065 56.400 0.160 0.000 0.799 554 E CB 0.128 29.943 29.700 0.193 0.000 0.752 554 E HN 0.059 nan 8.360 nan 0.000 0.449 555 V N 1.931 121.959 119.914 0.189 0.000 2.295 555 V HA -0.290 3.830 4.120 0.000 0.000 0.246 555 V C 2.442 178.623 176.094 0.145 0.000 1.049 555 V CA 2.328 64.719 62.300 0.150 0.000 1.024 555 V CB -0.624 31.334 31.823 0.224 0.000 0.648 555 V HN 0.300 nan 8.190 nan 0.000 0.447 556 R N 1.729 122.320 120.500 0.152 0.000 2.120 556 R HA -0.032 4.308 4.340 0.000 0.000 0.234 556 R C 2.121 178.476 176.300 0.092 0.000 1.123 556 R CA 1.697 57.860 56.100 0.105 0.000 0.975 556 R CB -0.885 29.463 30.300 0.082 0.000 0.866 556 R HN 0.357 nan 8.270 nan 0.000 0.446 557 A N 1.428 124.299 122.820 0.085 0.000 1.902 557 A HA 0.041 4.361 4.320 0.000 0.000 0.217 557 A C 2.547 180.160 177.584 0.047 0.000 1.181 557 A CA 1.483 53.552 52.037 0.054 0.000 0.623 557 A CB -0.884 18.146 19.000 0.050 0.000 0.818 557 A HN 0.538 nan 8.150 nan 0.000 0.443 558 A N -0.503 122.369 122.820 0.087 0.000 1.933 558 A HA 0.012 4.332 4.320 0.000 0.000 0.218 558 A C 2.213 179.895 177.584 0.164 0.000 1.175 558 A CA 1.737 53.852 52.037 0.130 0.000 0.628 558 A CB -0.889 18.224 19.000 0.188 0.000 0.814 558 A HN 0.378 nan 8.150 nan 0.000 0.444 559 V N 0.019 120.035 119.914 0.169 0.000 2.295 559 V HA -0.267 3.853 4.120 0.000 0.000 0.246 559 V C 2.546 178.816 176.094 0.292 0.000 1.049 559 V CA 2.052 64.496 62.300 0.239 0.000 1.024 559 V CB -0.769 31.168 31.823 0.190 0.000 0.648 559 V HN 0.571 nan 8.190 nan 0.000 0.447 560 L N -0.316 121.018 121.223 0.185 0.000 2.141 560 L HA -0.152 4.188 4.340 0.000 0.000 0.209 560 L C 2.552 179.457 176.870 0.059 0.000 1.094 560 L CA 1.837 56.740 54.840 0.106 0.000 0.763 560 L CB -0.390 41.674 42.059 0.010 0.000 0.908 560 L HN 0.433 nan 8.230 nan 0.000 0.437 561 E N -0.713 119.475 120.200 -0.020 0.000 2.190 561 E HA -0.124 4.226 4.350 0.000 0.000 0.191 561 E C 1.282 177.771 176.600 -0.186 0.000 0.978 561 E CA 0.742 57.032 56.400 -0.183 0.000 0.839 561 E CB 0.234 29.688 29.700 -0.411 0.000 0.787 561 E HN 0.633 nan 8.360 nan 0.000 0.473 562 H N -2.422 116.787 119.070 0.231 0.000 3.058 562 H HA 0.286 4.842 4.556 0.000 0.000 0.266 562 H C 0.867 176.385 175.328 0.316 0.000 1.135 562 H CA 0.215 56.433 56.048 0.284 0.000 1.174 562 H CB 1.567 31.510 29.762 0.303 0.000 1.581 562 H HN 0.126 nan 8.280 nan 0.000 0.553 563 G N -0.357 108.681 108.800 0.397 0.000 3.575 563 G HA2 -0.009 3.951 3.960 0.000 0.000 0.273 563 G HA3 -0.009 3.951 3.960 0.000 0.000 0.273 563 G C -0.654 174.524 174.900 0.462 0.000 1.053 563 G CA -0.246 45.086 45.100 0.387 0.000 0.803 563 G HN 0.247 nan 8.290 nan 0.000 0.528 564 W N 1.070 122.436 121.300 0.110 0.000 2.475 564 W HA 0.378 5.038 4.660 0.000 0.000 0.317 564 W C -0.661 175.804 176.519 -0.091 0.000 1.046 564 W CA -0.683 56.636 57.345 -0.045 0.000 1.215 564 W CB 2.120 31.514 29.460 -0.109 0.000 1.335 564 W HN 0.163 nan 8.180 nan 0.000 0.471 565 D N 2.077 121.936 120.400 -0.902 0.000 2.366 565 D HA 0.192 4.832 4.640 0.000 0.000 0.205 565 D C 1.512 177.203 176.300 -1.014 0.000 1.022 565 D CA 1.643 55.148 54.000 -0.826 0.000 0.868 565 D CB 0.545 40.829 40.800 -0.860 0.000 0.953 565 D HN 0.697 nan 8.370 nan 0.000 0.514 566 G N -0.410 107.441 108.800 -1.583 0.000 3.638 566 G HA2 -0.182 3.778 3.960 0.000 0.000 0.196 566 G HA3 -0.182 3.778 3.960 0.000 0.000 0.196 566 G C 0.790 175.300 174.900 -0.651 0.000 1.315 566 G CA -0.021 44.588 45.100 -0.818 0.000 0.944 566 G HN 0.172 nan 8.290 nan 0.000 0.434 567 Q N -0.527 118.691 119.800 -0.970 0.000 2.149 567 Q HA 0.347 4.687 4.340 0.000 0.000 0.221 567 Q C -0.154 175.679 176.000 -0.278 0.000 0.807 567 Q CA 0.526 56.087 55.803 -0.404 0.000 1.000 567 Q CB 1.364 29.976 28.738 -0.211 0.000 1.157 567 Q HN 0.851 nan 8.270 nan 0.000 0.487 568 W N -1.949 118.749 121.300 -1.003 0.000 2.982 568 W HA 0.582 5.242 4.660 0.000 0.000 0.344 568 W C -1.575 174.379 176.519 -0.942 0.000 1.215 568 W CA -1.448 55.492 57.345 -0.675 0.000 1.182 568 W CB -0.294 29.060 29.460 -0.177 0.000 1.437 568 W HN -0.228 nan 8.180 nan 0.000 0.570 569 F N 2.321 122.424 119.950 0.256 0.000 2.399 569 F HA 0.424 4.951 4.527 0.000 0.000 0.342 569 F C 0.802 176.766 175.800 0.273 0.000 1.106 569 F CA -0.287 57.894 58.000 0.302 0.000 1.196 569 F CB 0.374 39.603 39.000 0.382 0.000 1.163 569 F HN 0.132 nan 8.300 nan 0.000 0.547 570 L N 2.751 124.175 121.223 0.334 0.000 2.452 570 L HA 0.193 4.533 4.340 0.000 0.000 0.267 570 L C 1.387 178.325 176.870 0.113 0.000 1.188 570 L CA 0.206 55.131 54.840 0.142 0.000 0.821 570 L CB 0.609 42.649 42.059 -0.032 0.000 1.102 570 L HN 0.597 nan 8.230 nan 0.000 0.470 571 R N 2.026 122.488 120.500 -0.063 0.000 2.112 571 R HA 0.532 4.872 4.340 0.000 0.000 0.216 571 R C -0.361 175.809 176.300 -0.217 0.000 1.080 571 R CA 0.974 56.964 56.100 -0.183 0.000 0.996 571 R CB 0.238 30.147 30.300 -0.651 0.000 0.902 571 R HN 0.781 nan 8.270 nan 0.000 0.449 572 A N -2.388 120.250 122.820 -0.303 0.000 2.343 572 A HA 0.423 4.743 4.320 0.000 0.000 0.296 572 A C -1.886 175.450 177.584 -0.414 0.000 1.020 572 A CA -0.743 51.144 52.037 -0.249 0.000 0.579 572 A CB -0.031 18.851 19.000 -0.196 0.000 1.441 572 A HN 0.087 nan 8.150 nan 0.000 0.552 573 Y N 1.451 121.678 120.300 -0.122 0.000 2.331 573 Y HA 0.454 5.004 4.550 0.000 0.000 0.334 573 Y C 0.397 176.254 175.900 -0.073 0.000 0.960 573 Y CA -0.283 57.754 58.100 -0.104 0.000 1.130 573 Y CB 1.611 39.987 38.460 -0.140 0.000 1.164 573 Y HN 0.915 nan 8.280 nan 0.000 0.458 574 D N 0.643 121.080 120.400 0.062 0.000 2.380 574 D HA -0.132 4.508 4.640 0.000 0.000 0.254 574 D C 1.116 177.451 176.300 0.059 0.000 1.288 574 D CA -0.163 53.842 54.000 0.008 0.000 1.008 574 D CB 0.258 41.021 40.800 -0.061 0.000 1.099 574 D HN 0.600 nan 8.370 nan 0.000 0.537 575 Y N -0.506 119.721 120.300 -0.121 0.000 2.241 575 Y HA -0.272 4.278 4.550 0.000 0.000 0.286 575 Y C 1.414 177.331 175.900 0.028 0.000 1.166 575 Y CA 1.644 59.712 58.100 -0.053 0.000 1.203 575 Y CB -0.207 38.270 38.460 0.029 0.000 0.977 575 Y HN 0.363 nan 8.280 nan 0.000 0.529 576 Y N -0.914 119.562 120.300 0.294 0.000 2.544 576 Y HA 0.258 4.808 4.550 0.000 0.000 0.286 576 Y C 2.125 178.084 175.900 0.099 0.000 1.141 576 Y CA 0.169 58.374 58.100 0.174 0.000 1.299 576 Y CB -0.489 38.078 38.460 0.178 0.000 1.030 576 Y HN 0.164 nan 8.280 nan 0.000 0.543 577 G N 0.013 108.958 108.800 0.241 0.000 2.159 577 G HA2 -0.261 3.699 3.960 0.000 0.000 0.227 577 G HA3 -0.261 3.699 3.960 0.000 0.000 0.227 577 G C -0.088 175.017 174.900 0.342 0.000 0.986 577 G CA -0.184 45.049 45.100 0.222 0.000 0.651 577 G HN 0.443 nan 8.290 nan 0.000 0.523 578 N N 2.125 121.014 118.700 0.315 0.000 2.524 578 N HA 0.516 5.256 4.740 0.000 0.000 0.283 578 N C -2.306 173.304 175.510 0.167 0.000 1.142 578 N CA -1.222 51.985 53.050 0.263 0.000 0.984 578 N CB 1.574 40.200 38.487 0.230 0.000 1.155 578 N HN 0.119 nan 8.380 nan 0.000 0.467 579 P HA 0.067 nan 4.420 nan 0.000 0.275 579 P C -0.969 176.215 177.300 -0.194 0.000 1.227 579 P CA -0.095 62.810 63.100 -0.325 0.000 0.781 579 P CB 1.013 32.563 31.700 -0.250 0.000 0.906 580 V N 2.393 122.130 119.914 -0.295 0.000 2.459 580 V HA 0.605 4.725 4.120 0.000 0.000 0.295 580 V C 1.048 177.008 176.094 -0.223 0.000 1.029 580 V CA 0.263 62.433 62.300 -0.217 0.000 0.874 580 V CB 0.715 32.335 31.823 -0.339 0.000 0.985 580 V HN 0.966 nan 8.190 nan 0.000 0.438 581 G N 2.795 111.593 108.800 -0.004 0.000 2.303 581 G HA2 -0.169 3.791 3.960 0.000 0.000 0.260 581 G HA3 -0.169 3.791 3.960 0.000 0.000 0.260 581 G C -0.008 175.084 174.900 0.321 0.000 1.106 581 G CA 0.282 45.495 45.100 0.188 0.000 0.900 581 G HN 1.090 nan 8.290 nan 0.000 0.495 582 T N -1.774 112.936 114.554 0.261 0.000 2.924 582 T HA 0.557 4.907 4.350 0.000 0.000 0.291 582 T C 0.902 175.776 174.700 0.290 0.000 1.045 582 T CA 0.282 62.518 62.100 0.227 0.000 1.015 582 T CB 1.759 70.649 68.868 0.037 0.000 1.103 582 T HN 0.003 nan 8.240 nan 0.000 0.496 583 D N 1.797 122.320 120.400 0.204 0.000 2.371 583 D HA 0.134 4.774 4.640 0.000 0.000 0.221 583 D C 1.869 178.228 176.300 0.098 0.000 0.986 583 D CA 0.958 55.090 54.000 0.221 0.000 0.899 583 D CB -0.170 40.629 40.800 -0.002 0.000 0.902 583 D HN 0.632 nan 8.370 nan 0.000 0.530 584 A N -0.188 122.666 122.820 0.057 0.000 2.119 584 A HA -0.044 4.276 4.320 0.000 0.000 0.217 584 A C 1.096 178.719 177.584 0.065 0.000 1.153 584 A CA 0.736 52.799 52.037 0.043 0.000 0.692 584 A CB 0.021 19.038 19.000 0.029 0.000 0.799 584 A HN -0.059 nan 8.150 nan 0.000 0.458 585 K N -0.438 120.017 120.400 0.091 0.000 2.118 585 K HA 0.321 4.641 4.320 0.000 0.000 0.254 585 K C -2.069 174.569 176.600 0.064 0.000 0.961 585 K CA -2.354 53.988 56.287 0.092 0.000 0.876 585 K CB 1.066 33.645 32.500 0.132 0.000 1.077 585 K HN -0.023 nan 8.250 nan 0.000 0.440 586 P HA -0.042 nan 4.420 nan 0.000 0.222 586 P C -0.492 176.755 177.300 -0.087 0.000 1.153 586 P CA 1.055 64.150 63.100 -0.007 0.000 0.798 586 P CB 0.788 32.492 31.700 0.006 0.000 0.796 587 E N -1.523 118.623 120.200 -0.089 0.000 2.312 587 E HA 0.485 4.835 4.350 0.000 0.000 0.267 587 E C -0.101 176.269 176.600 -0.383 0.000 0.894 587 E CA -0.815 55.403 56.400 -0.305 0.000 0.773 587 E CB 1.468 30.979 29.700 -0.314 0.000 1.241 587 E HN 0.007 nan 8.360 nan 0.000 0.432 588 G N 2.021 110.422 108.800 -0.666 0.000 2.273 588 G HA2 -0.350 3.610 3.960 0.000 0.000 0.280 588 G HA3 -0.350 3.610 3.960 0.000 0.000 0.280 588 G C 0.639 175.578 174.900 0.064 0.000 1.047 588 G CA 0.853 45.689 45.100 -0.440 0.000 0.869 588 G HN 0.521 nan 8.290 nan 0.000 0.502 589 K N -0.936 119.425 120.400 -0.064 0.000 2.026 589 K HA 0.119 4.439 4.320 0.000 0.000 0.208 589 K C 1.345 177.982 176.600 0.062 0.000 1.048 589 K CA 1.372 57.724 56.287 0.108 0.000 0.929 589 K CB 0.368 32.914 32.500 0.076 0.000 0.713 589 K HN 0.601 nan 8.250 nan 0.000 0.439 590 I N 0.354 120.748 120.570 -0.294 0.000 2.499 590 I HA 0.211 4.381 4.170 0.000 0.000 0.288 590 I C -1.692 174.339 176.117 -0.144 0.000 1.048 590 I CA -0.961 59.992 61.300 -0.579 0.000 1.062 590 I CB 1.063 38.212 38.000 -1.419 0.000 1.238 590 I HN -0.009 nan 8.210 nan 0.000 0.426 591 W N 6.813 128.000 121.300 -0.189 0.000 2.551 591 W HA 0.448 5.109 4.660 0.000 0.000 0.330 591 W C 0.928 177.442 176.519 -0.007 0.000 1.063 591 W CA -0.455 56.860 57.345 -0.050 0.000 1.222 591 W CB 1.328 30.811 29.460 0.037 0.000 1.349 591 W HN 0.399 nan 8.180 nan 0.000 0.536 592 I N 1.572 122.258 120.570 0.193 0.000 2.353 592 I HA -0.240 3.930 4.170 0.000 0.000 0.248 592 I C 1.559 177.833 176.117 0.261 0.000 1.119 592 I CA 1.426 62.819 61.300 0.155 0.000 1.417 592 I CB 0.219 38.251 38.000 0.052 0.000 1.078 592 I HN 0.514 nan 8.210 nan 0.000 0.421 593 E N 1.694 122.093 120.200 0.332 0.000 2.035 593 E HA -0.248 4.102 4.350 0.000 0.000 0.204 593 E C -0.792 176.080 176.600 0.452 0.000 1.025 593 E CA 2.265 58.926 56.400 0.434 0.000 0.835 593 E CB -1.798 28.132 29.700 0.383 0.000 0.764 593 E HN 0.486 nan 8.360 nan 0.000 0.457 594 P HA -0.145 nan 4.420 nan 0.000 0.220 594 P C 0.859 178.237 177.300 0.129 0.000 1.148 594 P CA 1.266 64.496 63.100 0.217 0.000 0.803 594 P CB 0.180 32.007 31.700 0.213 0.000 0.782 595 Q N 0.173 120.145 119.800 0.287 0.000 2.050 595 Q HA -0.076 4.264 4.340 0.000 0.000 0.202 595 Q C 2.556 178.691 176.000 0.225 0.000 0.980 595 Q CA 2.144 58.160 55.803 0.355 0.000 0.840 595 Q CB -1.776 27.158 28.738 0.328 0.000 0.898 595 Q HN 0.322 nan 8.270 nan 0.000 0.424 596 G N -0.550 108.385 108.800 0.225 0.000 2.394 596 G HA2 -0.183 3.777 3.960 0.000 0.000 0.214 596 G HA3 -0.183 3.777 3.960 0.000 0.000 0.214 596 G C 1.267 176.184 174.900 0.028 0.000 1.176 596 G CA 0.086 45.298 45.100 0.186 0.000 0.786 596 G HN 0.261 nan 8.290 nan 0.000 0.533 597 F N 1.751 121.607 119.950 -0.157 0.000 2.259 597 F HA 0.174 4.701 4.527 0.000 0.000 0.298 597 F C 2.885 178.449 175.800 -0.394 0.000 1.088 597 F CA 0.926 58.677 58.000 -0.416 0.000 1.358 597 F CB 0.207 38.828 39.000 -0.632 0.000 1.040 597 F HN 0.228 nan 8.300 nan 0.000 0.505 598 A N -0.638 122.024 122.820 -0.264 0.000 1.898 598 A HA -0.117 4.203 4.320 0.000 0.000 0.216 598 A C 2.217 179.621 177.584 -0.300 0.000 1.181 598 A CA 1.793 53.558 52.037 -0.453 0.000 0.620 598 A CB -1.130 17.181 19.000 -1.148 0.000 0.819 598 A HN 0.165 nan 8.150 nan 0.000 0.442 599 V N -0.193 119.618 119.914 -0.170 0.000 2.548 599 V HA -0.255 3.865 4.120 0.000 0.000 0.249 599 V C 2.553 178.558 176.094 -0.149 0.000 1.055 599 V CA 1.962 64.228 62.300 -0.056 0.000 1.065 599 V CB -0.704 31.153 31.823 0.056 0.000 0.681 599 V HN 0.554 nan 8.190 nan 0.000 0.462 600 M N 0.048 119.479 119.600 -0.281 0.000 2.213 600 M HA -0.115 4.365 4.480 0.000 0.000 0.263 600 M C 2.140 178.223 176.300 -0.361 0.000 1.062 600 M CA 1.941 57.006 55.300 -0.392 0.000 1.105 600 M CB -0.416 31.764 32.600 -0.701 0.000 1.385 600 M HN 0.381 nan 8.290 nan 0.000 0.417 601 A N -0.499 122.102 122.820 -0.364 0.000 2.206 601 A HA 0.302 4.622 4.320 0.000 0.000 0.211 601 A C 1.711 179.204 177.584 -0.152 0.000 1.158 601 A CA 0.955 52.827 52.037 -0.275 0.000 0.761 601 A CB -0.732 18.110 19.000 -0.263 0.000 0.801 601 A HN 0.653 nan 8.150 nan 0.000 0.473 602 G N -0.934 107.792 108.800 -0.123 0.000 2.157 602 G HA2 -0.220 3.740 3.960 0.000 0.000 0.248 602 G HA3 -0.220 3.740 3.960 0.000 0.000 0.248 602 G C 0.132 175.019 174.900 -0.022 0.000 0.979 602 G CA 0.126 45.193 45.100 -0.056 0.000 0.650 602 G HN 0.496 nan 8.290 nan 0.000 0.529 603 I N 1.034 121.587 120.570 -0.029 0.000 2.517 603 I HA 0.387 4.557 4.170 0.000 0.000 0.285 603 I C 1.694 177.897 176.117 0.143 0.000 1.106 603 I CA 1.403 62.725 61.300 0.037 0.000 1.402 603 I CB 0.545 38.546 38.000 0.002 0.000 1.399 603 I HN 0.861 nan 8.210 nan 0.000 0.535 604 G N 4.197 113.043 108.800 0.076 0.000 2.159 604 G HA2 -0.212 3.749 3.960 0.000 0.000 0.256 604 G HA3 -0.212 3.749 3.960 0.000 0.000 0.256 604 G C 0.123 175.024 174.900 0.002 0.000 0.977 604 G CA -0.254 44.853 45.100 0.011 0.000 0.652 604 G HN 0.452 nan 8.290 nan 0.000 0.531 605 V N 0.768 120.693 119.914 0.018 0.000 2.614 605 V HA 0.613 4.733 4.120 0.000 0.000 0.291 605 V C 1.380 177.471 176.094 -0.005 0.000 1.049 605 V CA 0.680 62.988 62.300 0.014 0.000 1.038 605 V CB 1.151 32.982 31.823 0.014 0.000 0.980 605 V HN 0.646 nan 8.190 nan 0.000 0.481 606 G N 2.703 111.501 108.800 -0.003 0.000 2.890 606 G HA2 0.347 4.307 3.960 0.000 0.000 0.189 606 G HA3 0.347 4.307 3.960 0.000 0.000 0.189 606 G C 0.527 175.425 174.900 -0.003 0.000 1.342 606 G CA -0.200 44.893 45.100 -0.011 0.000 1.026 606 G HN 0.639 nan 8.290 nan 0.000 0.579 607 E N -0.583 119.615 120.200 -0.004 0.000 2.085 607 E HA 0.167 4.517 4.350 0.000 0.000 0.194 607 E C 1.150 177.753 176.600 0.004 0.000 0.994 607 E CA 1.061 57.460 56.400 -0.001 0.000 0.801 607 E CB -0.039 29.660 29.700 -0.002 0.000 0.743 607 E HN 0.540 nan 8.360 nan 0.000 0.453 608 G N -0.916 107.888 108.800 0.008 0.000 2.430 608 G HA2 0.100 4.060 3.960 0.000 0.000 0.300 608 G HA3 0.100 4.060 3.960 0.000 0.000 0.300 608 G C -2.522 172.388 174.900 0.017 0.000 1.330 608 G CA -0.727 44.380 45.100 0.012 0.000 0.813 608 G HN -0.242 nan 8.290 nan 0.000 0.487 609 P HA -0.006 nan 4.420 nan 0.000 0.225 609 P C 0.349 177.664 177.300 0.023 0.000 1.148 609 P CA 1.205 64.319 63.100 0.024 0.000 0.779 609 P CB 0.402 32.114 31.700 0.021 0.000 0.780 610 D N -0.819 119.592 120.400 0.018 0.000 2.349 610 D HA -0.024 4.616 4.640 0.000 0.000 0.214 610 D C 0.310 176.620 176.300 0.017 0.000 1.063 610 D CA 0.113 54.123 54.000 0.017 0.000 0.847 610 D CB -0.452 40.356 40.800 0.013 0.000 0.933 610 D HN -0.076 nan 8.370 nan 0.000 0.513 611 D N 0.248 120.658 120.400 0.017 0.000 2.551 611 D HA 0.136 4.776 4.640 0.000 0.000 0.223 611 D C 1.012 177.324 176.300 0.020 0.000 1.144 611 D CA -0.208 53.800 54.000 0.013 0.000 1.025 611 D CB 0.190 40.994 40.800 0.006 0.000 1.085 611 D HN 0.078 nan 8.370 nan 0.000 0.506 612 A N 2.823 125.658 122.820 0.025 0.000 2.259 612 A HA -0.135 4.185 4.320 0.000 0.000 0.212 612 A C 1.323 178.928 177.584 0.035 0.000 1.178 612 A CA 0.843 52.901 52.037 0.036 0.000 0.734 612 A CB 0.020 19.042 19.000 0.036 0.000 0.774 612 A HN 0.370 nan 8.150 nan 0.000 0.481 613 D N -0.701 119.709 120.400 0.017 0.000 2.379 613 D HA 0.350 4.990 4.640 0.000 0.000 0.208 613 D C 0.735 177.019 176.300 -0.025 0.000 1.065 613 D CA 0.644 54.646 54.000 0.005 0.000 0.848 613 D CB 0.254 41.052 40.800 -0.004 0.000 0.949 613 D HN 0.407 nan 8.370 nan 0.000 0.509 614 A N 1.304 124.109 122.820 -0.024 0.000 2.440 614 A HA 0.315 4.636 4.320 0.000 0.000 0.251 614 A C -1.438 176.093 177.584 -0.089 0.000 1.089 614 A CA -0.998 51.002 52.037 -0.062 0.000 0.779 614 A CB 0.580 19.564 19.000 -0.026 0.000 1.022 614 A HN -0.074 nan 8.150 nan 0.000 0.492 615 P HA -0.239 nan 4.420 nan 0.000 0.215 615 P C 1.779 179.022 177.300 -0.096 0.000 1.157 615 P CA 2.534 65.327 63.100 -0.512 0.000 0.874 615 P CB 0.135 31.173 31.700 -1.104 0.000 0.790 616 A N -0.703 122.130 122.820 0.022 0.000 1.903 616 A HA -0.227 4.093 4.320 0.000 0.000 0.219 616 A C 2.385 180.083 177.584 0.190 0.000 1.191 616 A CA 2.310 54.467 52.037 0.200 0.000 0.638 616 A CB -1.826 17.261 19.000 0.145 0.000 0.823 616 A HN 0.062 nan 8.150 nan 0.000 0.451 617 V N -0.093 119.894 119.914 0.122 0.000 2.358 617 V HA -0.264 3.856 4.120 0.000 0.000 0.246 617 V C 2.471 178.662 176.094 0.162 0.000 1.047 617 V CA 2.360 64.734 62.300 0.123 0.000 1.035 617 V CB -0.650 31.220 31.823 0.079 0.000 0.658 617 V HN 0.565 nan 8.190 nan 0.000 0.452 618 K N 0.250 120.760 120.400 0.185 0.000 2.026 618 K HA -0.154 4.166 4.320 0.000 0.000 0.208 618 K C 2.338 179.118 176.600 0.301 0.000 1.048 618 K CA 1.543 57.972 56.287 0.238 0.000 0.929 618 K CB -0.474 32.210 32.500 0.306 0.000 0.713 618 K HN 0.466 nan 8.250 nan 0.000 0.439 619 A N 1.678 124.733 122.820 0.392 0.000 1.865 619 A HA -0.167 4.153 4.320 0.000 0.000 0.217 619 A C 2.172 179.946 177.584 0.317 0.000 1.191 619 A CA 1.439 53.729 52.037 0.421 0.000 0.623 619 A CB -0.831 18.508 19.000 0.566 0.000 0.826 619 A HN 0.178 nan 8.150 nan 0.000 0.444 620 L N -0.621 120.768 121.223 0.277 0.000 2.131 620 L HA -0.193 4.147 4.340 0.000 0.000 0.210 620 L C 1.993 178.979 176.870 0.193 0.000 1.092 620 L CA 1.336 56.312 54.840 0.226 0.000 0.759 620 L CB -0.673 41.511 42.059 0.208 0.000 0.903 620 L HN 0.313 nan 8.230 nan 0.000 0.435 621 D N -0.531 119.977 120.400 0.180 0.000 2.144 621 D HA -0.117 4.523 4.640 0.000 0.000 0.200 621 D C 2.420 178.803 176.300 0.138 0.000 0.978 621 D CA 1.124 55.212 54.000 0.146 0.000 0.833 621 D CB 0.055 40.934 40.800 0.133 0.000 0.961 621 D HN 0.118 nan 8.370 nan 0.000 0.470 622 S N -0.197 115.610 115.700 0.178 0.000 2.368 622 S HA -0.086 4.384 4.470 0.000 0.000 0.224 622 S C 2.308 176.929 174.600 0.036 0.000 1.029 622 S CA 0.400 58.696 58.200 0.159 0.000 0.988 622 S CB -0.130 63.271 63.200 0.334 0.000 0.838 622 S HN 0.075 nan 8.310 nan 0.000 0.462 623 V N 2.574 122.523 119.914 0.059 0.000 2.287 623 V HA -0.245 3.875 4.120 0.000 0.000 0.248 623 V C 2.275 178.352 176.094 -0.028 0.000 1.053 623 V CA 2.150 64.445 62.300 -0.007 0.000 1.027 623 V CB -0.949 30.901 31.823 0.045 0.000 0.646 623 V HN 0.499 nan 8.190 nan 0.000 0.447 624 N N 0.108 118.846 118.700 0.064 0.000 2.069 624 N HA -0.248 4.492 4.740 0.000 0.000 0.191 624 N C 1.825 177.339 175.510 0.007 0.000 1.031 624 N CA 1.954 55.062 53.050 0.097 0.000 0.852 624 N CB -0.159 38.432 38.487 0.173 0.000 1.018 624 N HN 0.564 nan 8.380 nan 0.000 0.423 625 E N -0.179 120.017 120.200 -0.006 0.000 2.046 625 E HA -0.064 4.286 4.350 0.000 0.000 0.190 625 E C 1.790 178.298 176.600 -0.153 0.000 0.982 625 E CA 1.491 57.862 56.400 -0.049 0.000 0.800 625 E CB -0.090 29.607 29.700 -0.005 0.000 0.756 625 E HN 0.498 nan 8.360 nan 0.000 0.449 626 M N -0.636 118.849 119.600 -0.191 0.000 2.486 626 M HA 0.145 4.625 4.480 0.000 0.000 0.264 626 M C 1.461 177.497 176.300 -0.440 0.000 1.125 626 M CA 0.610 55.686 55.300 -0.374 0.000 1.144 626 M CB 0.399 32.838 32.600 -0.268 0.000 1.353 626 M HN 0.077 nan 8.290 nan 0.000 0.466 627 L N -0.767 120.294 121.223 -0.270 0.000 2.664 627 L HA 0.322 4.662 4.340 0.000 0.000 0.233 627 L C 1.082 177.826 176.870 -0.209 0.000 1.113 627 L CA -0.551 54.149 54.840 -0.233 0.000 0.896 627 L CB -0.176 41.770 42.059 -0.188 0.000 1.163 627 L HN 0.148 nan 8.230 nan 0.000 0.497 628 G N 0.882 109.570 108.800 -0.186 0.000 2.380 628 G HA2 0.399 4.359 3.960 0.000 0.000 0.262 628 G HA3 0.399 4.359 3.960 0.000 0.000 0.262 628 G C -0.073 174.752 174.900 -0.125 0.000 1.243 628 G CA 0.229 45.244 45.100 -0.142 0.000 0.865 628 G HN 0.128 nan 8.290 nan 0.000 0.513 629 T N -0.356 114.136 114.554 -0.104 0.000 2.864 629 T HA 0.626 4.976 4.350 0.000 0.000 0.299 629 T C -1.939 172.698 174.700 -0.105 0.000 1.166 629 T CA -1.421 60.626 62.100 -0.089 0.000 1.007 629 T CB 2.714 71.552 68.868 -0.050 0.000 1.219 629 T HN 0.203 nan 8.240 nan 0.000 0.506 630 P HA -0.007 nan 4.420 nan 0.000 0.230 630 P C 0.551 177.640 177.300 -0.351 0.000 1.158 630 P CA 1.078 64.014 63.100 -0.273 0.000 0.769 630 P CB -0.212 31.275 31.700 -0.354 0.000 0.807 631 H N -1.299 117.736 119.070 -0.058 0.000 2.586 631 H HA 0.422 4.978 4.556 0.000 0.000 0.273 631 H C 1.282 176.566 175.328 -0.074 0.000 0.997 631 H CA 0.478 56.490 56.048 -0.059 0.000 1.177 631 H CB 0.533 30.262 29.762 -0.054 0.000 1.471 631 H HN 0.227 nan 8.280 nan 0.000 0.538 632 G N -0.051 108.741 108.800 -0.012 0.000 2.325 632 G HA2 -0.016 3.944 3.960 0.000 0.000 0.285 632 G HA3 -0.016 3.944 3.960 0.000 0.000 0.285 632 G C -1.781 173.042 174.900 -0.129 0.000 1.303 632 G CA -1.090 43.969 45.100 -0.068 0.000 0.970 632 G HN 0.056 nan 8.290 nan 0.000 0.490 633 L N 1.198 122.313 121.223 -0.180 0.000 2.287 633 L HA 0.603 4.943 4.340 0.000 0.000 0.287 633 L C 1.135 177.919 176.870 -0.142 0.000 1.022 633 L CA -1.240 53.473 54.840 -0.211 0.000 0.814 633 L CB 1.386 43.257 42.059 -0.313 0.000 1.217 633 L HN 0.757 nan 8.230 nan 0.000 0.420 634 V N 1.261 121.094 119.914 -0.134 0.000 2.924 634 V HA 0.071 4.191 4.120 0.000 0.000 0.305 634 V C 1.271 177.297 176.094 -0.113 0.000 1.073 634 V CA -0.233 61.999 62.300 -0.114 0.000 1.098 634 V CB 1.305 33.056 31.823 -0.120 0.000 1.000 634 V HN 0.864 nan 8.190 nan 0.000 0.484 635 L N 0.957 122.121 121.223 -0.099 0.000 2.012 635 L HA -0.036 4.304 4.340 0.000 0.000 0.210 635 L C 1.323 178.056 176.870 -0.228 0.000 1.073 635 L CA 2.061 56.837 54.840 -0.107 0.000 0.748 635 L CB -0.150 41.850 42.059 -0.099 0.000 0.891 635 L HN 1.112 nan 8.230 nan 0.000 0.431 636 Q N -1.979 117.606 119.800 -0.358 0.000 2.590 636 Q HA 0.225 4.565 4.340 0.000 0.000 0.295 636 Q C -1.836 173.971 176.000 -0.323 0.000 0.973 636 Q CA -0.751 54.750 55.803 -0.502 0.000 0.768 636 Q CB 1.741 29.761 28.738 -1.197 0.000 1.479 636 Q HN 0.073 nan 8.270 nan 0.000 0.419 637 Y N 0.329 120.356 120.300 -0.455 0.000 2.482 637 Y HA 0.570 5.120 4.550 0.000 0.000 0.334 637 Y C -2.991 172.713 175.900 -0.328 0.000 1.091 637 Y CA -1.615 56.272 58.100 -0.355 0.000 1.027 637 Y CB 2.712 41.005 38.460 -0.278 0.000 1.306 637 Y HN 0.501 nan 8.280 nan 0.000 0.446 638 P HA 0.421 nan 4.420 nan 0.000 0.278 638 P C -1.163 175.754 177.300 -0.638 0.000 1.258 638 P CA -0.322 62.133 63.100 -1.075 0.000 0.811 638 P CB 0.931 32.047 31.700 -0.972 0.000 1.063 639 A N 1.171 123.740 122.820 -0.419 0.000 2.386 639 A HA 0.240 4.560 4.320 0.000 0.000 0.248 639 A C -0.656 176.731 177.584 -0.328 0.000 1.082 639 A CA 0.029 51.859 52.037 -0.345 0.000 0.789 639 A CB -0.634 18.272 19.000 -0.156 0.000 1.025 639 A HN 0.431 nan 8.150 nan 0.000 0.490 640 Y N 0.680 120.925 120.300 -0.092 0.000 2.442 640 Y HA 0.198 4.748 4.550 0.000 0.000 0.330 640 Y C 1.928 177.824 175.900 -0.006 0.000 1.129 640 Y CA 1.025 59.103 58.100 -0.037 0.000 1.365 640 Y CB 0.735 39.194 38.460 -0.002 0.000 1.233 640 Y HN 0.758 nan 8.280 nan 0.000 0.529 641 T N -2.655 111.982 114.554 0.139 0.000 3.040 641 T HA 0.156 4.506 4.350 0.000 0.000 0.250 641 T C 0.349 175.117 174.700 0.114 0.000 1.058 641 T CA 0.394 62.552 62.100 0.097 0.000 0.988 641 T CB -0.213 68.684 68.868 0.048 0.000 0.993 641 T HN 0.635 nan 8.240 nan 0.000 0.519 642 T N -1.275 113.368 114.554 0.149 0.000 2.900 642 T HA 0.482 4.832 4.350 0.000 0.000 0.303 642 T C -0.970 173.832 174.700 0.170 0.000 1.142 642 T CA -1.041 61.143 62.100 0.141 0.000 1.007 642 T CB 1.315 70.249 68.868 0.111 0.000 1.156 642 T HN 0.240 nan 8.240 nan 0.000 0.490 643 Y N 2.246 122.557 120.300 0.018 0.000 2.650 643 Y HA 0.172 4.722 4.550 0.000 0.000 0.331 643 Y C 0.207 176.084 175.900 -0.037 0.000 1.165 643 Y CA -0.357 57.733 58.100 -0.016 0.000 1.473 643 Y CB 0.477 38.939 38.460 0.004 0.000 1.224 643 Y HN 0.501 nan 8.280 nan 0.000 0.533 644 Q N 8.216 127.780 119.800 -0.393 0.000 2.509 644 Q HA 0.110 4.451 4.340 0.000 0.000 0.236 644 Q C 0.969 176.523 176.000 -0.744 0.000 1.073 644 Q CA -0.108 55.413 55.803 -0.469 0.000 0.867 644 Q CB 1.307 29.771 28.738 -0.457 0.000 1.181 644 Q HN 0.996 nan 8.270 nan 0.000 0.526 645 I N 2.102 122.169 120.570 -0.838 0.000 2.315 645 I HA -0.306 3.864 4.170 0.000 0.000 0.251 645 I C 2.055 177.796 176.117 -0.627 0.000 1.125 645 I CA 1.571 62.405 61.300 -0.776 0.000 1.392 645 I CB 0.409 38.193 38.000 -0.361 0.000 1.065 645 I HN 0.531 nan 8.210 nan 0.000 0.424 646 E N 0.903 120.777 120.200 -0.544 0.000 2.482 646 E HA -0.152 4.198 4.350 0.000 0.000 0.196 646 E C 1.655 177.861 176.600 -0.656 0.000 1.047 646 E CA 0.868 56.768 56.400 -0.833 0.000 0.869 646 E CB -0.262 29.209 29.700 -0.381 0.000 0.836 646 E HN 0.590 nan 8.360 nan 0.000 0.520 647 L N -0.222 120.710 121.223 -0.485 0.000 2.616 647 L HA 0.289 4.629 4.340 0.000 0.000 0.229 647 L C 1.347 178.049 176.870 -0.279 0.000 1.110 647 L CA 0.173 54.804 54.840 -0.348 0.000 0.884 647 L CB 0.064 41.925 42.059 -0.331 0.000 1.115 647 L HN 0.340 nan 8.230 nan 0.000 0.481 648 G N 1.252 109.890 108.800 -0.270 0.000 2.498 648 G HA2 -0.379 3.582 3.960 0.000 0.000 0.251 648 G HA3 -0.379 3.582 3.960 0.000 0.000 0.251 648 G C 0.558 175.169 174.900 -0.482 0.000 1.170 648 G CA 0.427 45.446 45.100 -0.134 0.000 0.944 648 G HN 0.281 nan 8.290 nan 0.000 0.567 649 E N -0.310 119.321 120.200 -0.948 0.000 2.150 649 E HA 0.018 4.368 4.350 0.000 0.000 0.193 649 E C 2.618 178.926 176.600 -0.488 0.000 0.985 649 E CA 1.806 57.441 56.400 -1.275 0.000 0.814 649 E CB -0.149 28.972 29.700 -0.966 0.000 0.752 649 E HN 0.845 nan 8.360 nan 0.000 0.466 650 V N 1.235 121.023 119.914 -0.211 0.000 2.250 650 V HA -0.335 3.785 4.120 0.000 0.000 0.253 650 V C 2.160 178.284 176.094 0.049 0.000 1.065 650 V CA 2.822 65.124 62.300 0.005 0.000 1.039 650 V CB -0.575 31.315 31.823 0.112 0.000 0.647 650 V HN 0.580 nan 8.190 nan 0.000 0.446 651 S N -0.930 114.746 115.700 -0.039 0.000 2.607 651 S HA -0.083 4.387 4.470 0.000 0.000 0.224 651 S C 1.677 176.328 174.600 0.085 0.000 0.969 651 S CA 1.022 59.255 58.200 0.055 0.000 0.927 651 S CB -0.548 62.616 63.200 -0.060 0.000 0.772 651 S HN 0.899 nan 8.310 nan 0.000 0.533 652 T N -2.196 112.326 114.554 -0.053 0.000 3.043 652 T HA 0.153 4.503 4.350 0.000 0.000 0.263 652 T C 0.375 174.981 174.700 -0.157 0.000 1.094 652 T CA -0.057 61.943 62.100 -0.167 0.000 1.127 652 T CB -0.708 67.949 68.868 -0.352 0.000 0.905 652 T HN 0.455 nan 8.240 nan 0.000 0.490 653 Y N 2.598 122.896 120.300 -0.004 0.000 2.319 653 Y HA 0.388 4.938 4.550 0.000 0.000 0.328 653 Y C -2.187 173.760 175.900 0.079 0.000 1.133 653 Y CA -2.753 55.367 58.100 0.035 0.000 1.265 653 Y CB 0.559 39.053 38.460 0.057 0.000 1.218 653 Y HN 0.056 nan 8.280 nan 0.000 0.508 654 P HA 0.027 nan 4.420 nan 0.000 0.269 654 P C -2.547 174.933 177.300 0.299 0.000 1.209 654 P CA -1.000 62.242 63.100 0.236 0.000 0.776 654 P CB 0.156 31.978 31.700 0.203 0.000 0.876 655 P HA -0.016 nan 4.420 nan 0.000 0.261 655 P C 0.957 178.250 177.300 -0.011 0.000 1.173 655 P CA 1.669 64.815 63.100 0.077 0.000 0.760 655 P CB -0.015 31.705 31.700 0.033 0.000 0.783 656 G N 1.219 109.945 108.800 -0.124 0.000 2.176 656 G HA2 -0.225 3.736 3.960 0.000 0.000 0.232 656 G HA3 -0.225 3.736 3.960 0.000 0.000 0.232 656 G C -0.454 174.118 174.900 -0.547 0.000 0.986 656 G CA -0.447 44.441 45.100 -0.354 0.000 0.643 656 G HN 0.464 nan 8.290 nan 0.000 0.522 657 Y N 0.305 120.564 120.300 -0.067 0.000 2.446 657 Y HA 0.633 5.183 4.550 0.000 0.000 0.345 657 Y C 1.178 176.908 175.900 -0.283 0.000 0.984 657 Y CA -0.642 57.378 58.100 -0.134 0.000 1.058 657 Y CB 1.472 39.886 38.460 -0.077 0.000 1.220 657 Y HN 0.128 nan 8.280 nan 0.000 0.455 658 K N 0.376 120.678 120.400 -0.164 0.000 1.939 658 K HA -0.321 3.999 4.320 0.000 0.000 0.165 658 K C 0.778 177.338 176.600 -0.067 0.000 1.508 658 K CA 1.722 57.865 56.287 -0.241 0.000 0.525 658 K CB -0.736 31.155 32.500 -1.014 0.000 0.615 658 K HN 0.902 nan 8.250 nan 0.000 0.888 659 E N 1.537 121.600 120.200 -0.228 0.000 2.516 659 E HA -0.015 4.335 4.350 0.000 0.000 0.199 659 E C 0.769 177.300 176.600 -0.115 0.000 1.069 659 E CA 0.450 56.739 56.400 -0.183 0.000 0.876 659 E CB -0.204 29.362 29.700 -0.224 0.000 0.843 659 E HN 0.309 nan 8.360 nan 0.000 0.530 660 N N -0.321 118.343 118.700 -0.060 0.000 3.044 660 N HA 0.187 4.927 4.740 0.000 0.000 0.254 660 N C -0.004 175.460 175.510 -0.076 0.000 1.253 660 N CA 0.278 53.318 53.050 -0.018 0.000 0.944 660 N CB 0.244 38.823 38.487 0.153 0.000 1.217 660 N HN 0.189 nan 8.380 nan 0.000 0.498 661 G N 1.334 110.039 108.800 -0.157 0.000 2.176 661 G HA2 -0.222 3.738 3.960 0.000 0.000 0.253 661 G HA3 -0.222 3.738 3.960 0.000 0.000 0.253 661 G C 0.392 175.206 174.900 -0.143 0.000 0.979 661 G CA -0.135 44.873 45.100 -0.153 0.000 0.641 661 G HN 0.675 nan 8.290 nan 0.000 0.530 662 G N -0.589 108.141 108.800 -0.116 0.000 2.537 662 G HA2 0.573 4.533 3.960 0.000 0.000 0.273 662 G HA3 0.573 4.533 3.960 0.000 0.000 0.273 662 G C 0.174 175.039 174.900 -0.058 0.000 1.189 662 G CA -0.819 44.211 45.100 -0.117 0.000 0.881 662 G HN 0.598 nan 8.290 nan 0.000 0.535 663 I N 0.934 121.454 120.570 -0.084 0.000 2.278 663 I HA 0.100 4.270 4.170 0.000 0.000 0.296 663 I C -0.518 175.580 176.117 -0.031 0.000 1.121 663 I CA -0.136 61.131 61.300 -0.056 0.000 1.267 663 I CB 0.319 38.273 38.000 -0.077 0.000 1.447 663 I HN 0.243 nan 8.210 nan 0.000 0.509 664 F N 6.049 125.950 119.950 -0.082 0.000 2.567 664 F HA 0.137 4.664 4.527 0.000 0.000 0.352 664 F C 1.581 177.360 175.800 -0.035 0.000 1.229 664 F CA -0.145 57.838 58.000 -0.029 0.000 1.228 664 F CB 0.182 39.218 39.000 0.059 0.000 1.568 664 F HN 0.602 nan 8.300 nan 0.000 0.634 665 C N 1.143 120.406 119.300 -0.063 0.000 2.391 665 C HA -0.334 4.126 4.460 0.000 0.000 0.276 665 C C 2.855 177.798 174.990 -0.078 0.000 1.191 665 C CA 2.030 61.008 59.018 -0.067 0.000 1.808 665 C CB -1.729 25.972 27.740 -0.066 0.000 2.095 665 C HN 0.913 nan 8.230 nan 0.000 0.478 666 H N 2.285 121.298 119.070 -0.095 0.000 2.357 666 H HA -0.183 4.373 4.556 0.000 0.000 0.296 666 H C 1.846 176.694 175.328 -0.800 0.000 1.108 666 H CA 2.097 58.032 56.048 -0.187 0.000 1.273 666 H CB -0.120 29.772 29.762 0.217 0.000 1.367 666 H HN 0.743 nan 8.280 nan 0.000 0.498 667 N N -0.638 117.673 118.700 -0.649 0.000 2.398 667 N HA -0.055 4.685 4.740 0.000 0.000 0.188 667 N C 0.977 176.097 175.510 -0.648 0.000 1.122 667 N CA 0.632 52.911 53.050 -1.285 0.000 0.866 667 N CB -0.186 37.696 38.487 -1.009 0.000 0.970 667 N HN 0.293 nan 8.380 nan 0.000 0.462 668 N N 1.013 119.484 118.700 -0.381 0.000 2.188 668 N HA -0.001 4.740 4.740 0.000 0.000 0.184 668 N C -1.123 174.306 175.510 -0.134 0.000 1.018 668 N CA 0.784 53.708 53.050 -0.210 0.000 0.858 668 N CB -1.012 37.388 38.487 -0.144 0.000 0.989 668 N HN 0.318 nan 8.380 nan 0.000 0.426 669 P HA -0.067 nan 4.420 nan 0.000 0.222 669 P C 0.727 178.076 177.300 0.081 0.000 1.147 669 P CA 0.802 63.900 63.100 -0.003 0.000 0.790 669 P CB -0.019 31.709 31.700 0.047 0.000 0.780 670 W N -0.931 120.274 121.300 -0.159 0.000 2.388 670 W HA -0.033 4.627 4.660 0.000 0.000 0.294 670 W C 2.001 178.459 176.519 -0.102 0.000 1.212 670 W CA 0.485 57.711 57.345 -0.199 0.000 1.271 670 W CB -1.674 27.692 29.460 -0.157 0.000 1.126 670 W HN -0.179 nan 8.180 nan 0.000 0.535 671 V N 0.424 120.444 119.914 0.177 0.000 2.548 671 V HA -0.247 3.873 4.120 0.000 0.000 0.249 671 V C 2.115 178.330 176.094 0.201 0.000 1.055 671 V CA 1.243 63.636 62.300 0.155 0.000 1.065 671 V CB -0.724 31.140 31.823 0.067 0.000 0.681 671 V HN 0.028 nan 8.190 nan 0.000 0.462 672 I N -0.177 120.511 120.570 0.197 0.000 2.142 672 I HA -0.254 3.916 4.170 0.000 0.000 0.240 672 I C 2.312 178.497 176.117 0.114 0.000 1.078 672 I CA 1.889 63.319 61.300 0.217 0.000 1.343 672 I CB -0.296 37.833 38.000 0.215 0.000 1.046 672 I HN 0.218 nan 8.210 nan 0.000 0.405 673 I N 0.789 121.381 120.570 0.036 0.000 2.226 673 I HA -0.293 3.877 4.170 0.000 0.000 0.245 673 I C 2.829 178.873 176.117 -0.120 0.000 1.100 673 I CA 1.313 62.525 61.300 -0.147 0.000 1.374 673 I CB -0.537 37.243 38.000 -0.368 0.000 1.057 673 I HN 0.200 nan 8.210 nan 0.000 0.413 674 A N 0.442 123.233 122.820 -0.049 0.000 1.908 674 A HA -0.220 4.100 4.320 0.000 0.000 0.218 674 A C 2.241 179.847 177.584 0.037 0.000 1.181 674 A CA 1.599 53.627 52.037 -0.015 0.000 0.627 674 A CB -0.465 18.561 19.000 0.044 0.000 0.818 674 A HN 0.357 nan 8.150 nan 0.000 0.445 675 E N -0.381 119.866 120.200 0.079 0.000 2.110 675 E HA -0.152 4.198 4.350 0.000 0.000 0.193 675 E C 2.331 178.962 176.600 0.051 0.000 0.988 675 E CA 1.828 58.274 56.400 0.077 0.000 0.804 675 E CB -0.673 29.077 29.700 0.083 0.000 0.745 675 E HN 0.861 nan 8.360 nan 0.000 0.458 676 T N -1.431 113.154 114.554 0.052 0.000 2.904 676 T HA -0.044 4.306 4.350 0.000 0.000 0.267 676 T C 2.163 176.900 174.700 0.062 0.000 1.059 676 T CA 0.921 63.060 62.100 0.066 0.000 1.137 676 T CB -0.453 68.486 68.868 0.118 0.000 0.879 676 T HN -0.072 nan 8.240 nan 0.000 0.467 677 V N 2.508 122.444 119.914 0.036 0.000 2.343 677 V HA -0.110 4.010 4.120 0.000 0.000 0.247 677 V C 2.934 179.047 176.094 0.032 0.000 1.051 677 V CA 1.788 64.106 62.300 0.029 0.000 1.036 677 V CB -0.604 31.210 31.823 -0.014 0.000 0.654 677 V HN 0.679 nan 8.190 nan 0.000 0.451 678 V N -1.334 118.601 119.914 0.036 0.000 3.573 678 V HA 0.466 4.586 4.120 0.000 0.000 0.270 678 V C 1.417 177.530 176.094 0.033 0.000 1.221 678 V CA 0.757 63.080 62.300 0.038 0.000 1.163 678 V CB -0.709 31.146 31.823 0.052 0.000 0.847 678 V HN 0.783 nan 8.190 nan 0.000 0.468 679 G N 1.210 110.030 108.800 0.033 0.000 2.142 679 G HA2 -0.235 3.725 3.960 0.000 0.000 0.225 679 G HA3 -0.235 3.725 3.960 0.000 0.000 0.225 679 G C 0.176 175.088 174.900 0.021 0.000 1.015 679 G CA 0.181 45.297 45.100 0.027 0.000 0.716 679 G HN 0.606 nan 8.290 nan 0.000 0.508 680 R N 0.217 120.730 120.500 0.022 0.000 3.057 680 R HA 0.390 4.731 4.340 0.000 0.000 0.291 680 R C 1.839 178.139 176.300 0.001 0.000 1.394 680 R CA 0.018 56.122 56.100 0.008 0.000 1.630 680 R CB 0.544 30.847 30.300 0.005 0.000 1.268 680 R HN 0.278 nan 8.270 nan 0.000 0.621 681 G N 0.945 109.751 108.800 0.009 0.000 2.442 681 G HA2 -0.332 3.628 3.960 0.000 0.000 0.219 681 G HA3 -0.332 3.628 3.960 0.000 0.000 0.219 681 G C 1.424 176.338 174.900 0.022 0.000 1.141 681 G CA 1.049 46.158 45.100 0.014 0.000 0.763 681 G HN 0.494 nan 8.290 nan 0.000 0.554 682 A N 0.311 123.136 122.820 0.008 0.000 1.908 682 A HA -0.134 4.186 4.320 0.000 0.000 0.218 682 A C 2.289 179.859 177.584 -0.024 0.000 1.181 682 A CA 2.142 54.193 52.037 0.023 0.000 0.627 682 A CB -0.497 18.505 19.000 0.004 0.000 0.818 682 A HN 0.471 nan 8.150 nan 0.000 0.445 683 Q N -0.784 118.948 119.800 -0.113 0.000 2.123 683 Q HA 0.003 4.343 4.340 0.000 0.000 0.199 683 Q C 2.124 177.857 176.000 -0.444 0.000 0.966 683 Q CA 1.434 57.044 55.803 -0.321 0.000 0.845 683 Q CB -0.356 28.189 28.738 -0.323 0.000 0.907 683 Q HN 0.596 nan 8.270 nan 0.000 0.439 684 A N 0.149 122.870 122.820 -0.165 0.000 1.877 684 A HA -0.189 4.131 4.320 0.000 0.000 0.216 684 A C 1.855 179.497 177.584 0.096 0.000 1.186 684 A CA 1.317 53.346 52.037 -0.013 0.000 0.620 684 A CB -0.972 18.069 19.000 0.069 0.000 0.822 684 A HN 0.605 nan 8.150 nan 0.000 0.443 685 F N 1.348 121.260 119.950 -0.064 0.000 2.171 685 F HA -0.134 4.393 4.527 0.000 0.000 0.300 685 F C 1.864 177.660 175.800 -0.006 0.000 1.090 685 F CA 1.655 59.645 58.000 -0.017 0.000 1.293 685 F CB -0.414 38.555 39.000 -0.051 0.000 1.013 685 F HN 0.404 nan 8.300 nan 0.000 0.486 686 D N -0.624 119.702 120.400 -0.123 0.000 2.092 686 D HA -0.271 4.369 4.640 0.000 0.000 0.193 686 D C 2.187 178.418 176.300 -0.116 0.000 0.994 686 D CA 1.877 55.742 54.000 -0.224 0.000 0.828 686 D CB -0.585 40.076 40.800 -0.232 0.000 0.963 686 D HN 0.290 nan 8.370 nan 0.000 0.450 687 Y N -0.442 119.820 120.300 -0.063 0.000 2.224 687 Y HA -0.138 4.412 4.550 0.000 0.000 0.289 687 Y C 2.339 178.205 175.900 -0.057 0.000 1.146 687 Y CA 0.778 58.848 58.100 -0.050 0.000 1.182 687 Y CB -1.561 36.902 38.460 0.005 0.000 0.983 687 Y HN 0.171 nan 8.280 nan 0.000 0.524 688 Y N 1.194 121.491 120.300 -0.006 0.000 2.128 688 Y HA -0.241 4.309 4.550 0.000 0.000 0.284 688 Y C 2.159 177.922 175.900 -0.228 0.000 1.154 688 Y CA 1.871 59.932 58.100 -0.066 0.000 1.149 688 Y CB -0.363 38.069 38.460 -0.045 0.000 0.976 688 Y HN -0.009 nan 8.280 nan 0.000 0.505 689 K N -0.052 119.992 120.400 -0.592 0.000 2.097 689 K HA -0.145 4.175 4.320 0.000 0.000 0.205 689 K C 2.120 178.425 176.600 -0.492 0.000 1.050 689 K CA 1.466 57.183 56.287 -0.951 0.000 0.938 689 K CB -0.174 31.607 32.500 -1.199 0.000 0.718 689 K HN 0.368 nan 8.250 nan 0.000 0.442 690 R N 0.850 121.183 120.500 -0.278 0.000 2.127 690 R HA -0.112 4.228 4.340 0.000 0.000 0.238 690 R C 2.255 178.488 176.300 -0.113 0.000 1.134 690 R CA 1.542 57.551 56.100 -0.151 0.000 0.975 690 R CB -0.382 29.876 30.300 -0.070 0.000 0.865 690 R HN 0.400 nan 8.270 nan 0.000 0.447 691 I N -3.069 117.428 120.570 -0.122 0.000 4.057 691 I HA 0.204 4.374 4.170 0.000 0.000 0.334 691 I C -0.172 175.875 176.117 -0.117 0.000 1.308 691 I CA -0.218 61.045 61.300 -0.062 0.000 1.125 691 I CB 0.599 38.613 38.000 0.024 0.000 1.034 691 I HN -0.264 nan 8.210 nan 0.000 0.401 692 T N 4.173 118.578 114.554 -0.247 0.000 2.851 692 T HA 0.200 4.550 4.350 0.000 0.000 0.298 692 T C -1.642 172.811 174.700 -0.412 0.000 0.977 692 T CA -0.646 61.211 62.100 -0.404 0.000 1.126 692 T CB 1.355 69.939 68.868 -0.473 0.000 0.916 692 T HN 0.017 nan 8.240 nan 0.000 0.529 693 P HA -0.238 nan 4.420 nan 0.000 0.216 693 P C 1.481 178.589 177.300 -0.320 0.000 1.167 693 P CA 1.424 64.192 63.100 -0.554 0.000 0.914 693 P CB 0.043 31.379 31.700 -0.606 0.000 0.793 694 A N -2.262 120.369 122.820 -0.315 0.000 2.024 694 A HA -0.215 4.105 4.320 0.000 0.000 0.220 694 A C 1.819 179.183 177.584 -0.367 0.000 1.164 694 A CA 1.569 53.383 52.037 -0.371 0.000 0.643 694 A CB -1.759 16.855 19.000 -0.642 0.000 0.806 694 A HN 0.241 nan 8.150 nan 0.000 0.451 695 Y N -1.264 118.922 120.300 -0.191 0.000 2.490 695 Y HA 0.125 4.675 4.550 0.000 0.000 0.285 695 Y C 2.331 178.148 175.900 -0.137 0.000 1.117 695 Y CA 0.756 58.765 58.100 -0.152 0.000 1.262 695 Y CB 0.130 38.469 38.460 -0.201 0.000 1.043 695 Y HN 0.177 nan 8.280 nan 0.000 0.553 696 R N 0.053 120.513 120.500 -0.066 0.000 2.334 696 R HA -0.005 4.335 4.340 0.000 0.000 0.216 696 R C 1.790 178.028 176.300 -0.103 0.000 0.905 696 R CA 0.155 56.189 56.100 -0.111 0.000 1.064 696 R CB 0.097 30.238 30.300 -0.265 0.000 1.046 696 R HN 0.381 nan 8.270 nan 0.000 0.508 697 E N 1.499 121.655 120.200 -0.074 0.000 2.118 697 E HA -0.218 4.132 4.350 0.000 0.000 0.195 697 E C 0.592 177.228 176.600 0.060 0.000 0.992 697 E CA 1.356 57.749 56.400 -0.013 0.000 0.804 697 E CB 0.146 29.913 29.700 0.111 0.000 0.741 697 E HN 0.211 nan 8.360 nan 0.000 0.458 698 D N 0.424 120.858 120.400 0.056 0.000 2.378 698 D HA -0.094 4.547 4.640 0.000 0.000 0.222 698 D C 1.288 177.634 176.300 0.076 0.000 0.980 698 D CA 0.835 54.875 54.000 0.066 0.000 0.907 698 D CB 0.004 40.835 40.800 0.051 0.000 0.899 698 D HN 0.496 nan 8.370 nan 0.000 0.527 699 I N -2.815 117.807 120.570 0.086 0.000 3.283 699 I HA 0.282 4.452 4.170 0.000 0.000 0.342 699 I C 0.980 177.200 176.117 0.172 0.000 1.510 699 I CA -0.380 60.991 61.300 0.119 0.000 1.006 699 I CB 0.792 38.864 38.000 0.120 0.000 1.596 699 I HN -0.370 nan 8.210 nan 0.000 0.509 700 S N 2.188 118.022 115.700 0.223 0.000 2.400 700 S HA -0.186 4.284 4.470 0.000 0.000 0.232 700 S C 1.725 176.579 174.600 0.424 0.000 1.025 700 S CA 2.106 60.518 58.200 0.353 0.000 0.993 700 S CB -0.327 63.215 63.200 0.570 0.000 0.808 700 S HN 0.813 nan 8.310 nan 0.000 0.478 701 D N 0.390 121.034 120.400 0.408 0.000 2.312 701 D HA -0.051 4.589 4.640 0.000 0.000 0.211 701 D C 1.332 177.749 176.300 0.195 0.000 0.964 701 D CA 0.940 55.145 54.000 0.342 0.000 0.877 701 D CB -0.498 40.481 40.800 0.298 0.000 0.924 701 D HN 0.293 nan 8.370 nan 0.000 0.515 702 T N -0.568 114.088 114.554 0.170 0.000 2.953 702 T HA -0.062 4.289 4.350 0.000 0.000 0.247 702 T C 1.606 176.341 174.700 0.057 0.000 1.029 702 T CA 0.688 62.845 62.100 0.096 0.000 1.144 702 T CB -0.335 68.595 68.868 0.103 0.000 0.870 702 T HN 0.247 nan 8.240 nan 0.000 0.446 703 H N 1.492 120.563 119.070 0.002 0.000 2.353 703 H HA -0.028 4.528 4.556 0.000 0.000 0.300 703 H C 1.521 176.834 175.328 -0.026 0.000 1.090 703 H CA 1.850 57.864 56.048 -0.058 0.000 1.327 703 H CB 0.061 29.773 29.762 -0.084 0.000 1.383 703 H HN 0.239 nan 8.280 nan 0.000 0.508 704 K N -3.153 117.316 120.400 0.115 0.000 4.378 704 K HA -0.227 4.093 4.320 0.000 0.000 0.416 704 K C 0.064 176.857 176.600 0.322 0.000 0.469 704 K CA 1.409 57.785 56.287 0.149 0.000 1.807 704 K CB -1.491 31.022 32.500 0.022 0.000 0.965 704 K HN 0.114 nan 8.250 nan 0.000 0.530 705 L N 2.097 123.367 121.223 0.078 0.000 2.600 705 L HA 0.172 4.512 4.340 0.000 0.000 0.221 705 L C 0.396 177.051 176.870 -0.358 0.000 1.197 705 L CA 0.276 55.184 54.840 0.114 0.000 0.838 705 L CB 0.048 42.042 42.059 -0.108 0.000 1.474 705 L HN 0.020 nan 8.230 nan 0.000 0.514 706 E N 2.381 122.097 120.200 -0.805 0.000 2.558 706 E HA -0.032 4.318 4.350 0.000 0.000 0.255 706 E C -1.749 173.986 176.600 -1.442 0.000 0.968 706 E CA -0.426 54.964 56.400 -1.683 0.000 0.939 706 E CB 0.087 28.820 29.700 -1.612 0.000 0.921 706 E HN 0.295 nan 8.360 nan 0.000 0.477 707 P HA -0.072 nan 4.420 nan 0.000 0.249 707 P C -0.292 176.444 177.300 -0.941 0.000 1.229 707 P CA 0.680 63.128 63.100 -1.086 0.000 0.788 707 P CB 0.042 31.185 31.700 -0.929 0.000 1.072 708 Y N -1.089 118.606 120.300 -1.009 0.000 2.481 708 Y HA 0.434 4.984 4.550 0.000 0.000 0.247 708 Y C 0.465 176.011 175.900 -0.590 0.000 1.151 708 Y CA -1.059 56.550 58.100 -0.817 0.000 1.238 708 Y CB -0.290 37.399 38.460 -1.285 0.000 1.179 708 Y HN -0.258 nan 8.280 nan 0.000 0.524 709 V N -3.450 115.954 119.914 -0.850 0.000 3.007 709 V HA 0.519 4.639 4.120 0.000 0.000 0.311 709 V C -0.981 174.760 176.094 -0.589 0.000 1.120 709 V CA -1.909 59.965 62.300 -0.710 0.000 0.980 709 V CB 1.169 32.264 31.823 -1.213 0.000 1.033 709 V HN 0.078 nan 8.190 nan 0.000 0.429 710 Y N 1.285 121.388 120.300 -0.328 0.000 2.379 710 Y HA 0.671 5.221 4.550 0.000 0.000 0.337 710 Y C 0.897 176.670 175.900 -0.212 0.000 1.238 710 Y CA 0.975 58.943 58.100 -0.221 0.000 1.405 710 Y CB 1.113 39.494 38.460 -0.131 0.000 1.310 710 Y HN 1.089 nan 8.280 nan 0.000 0.569 711 A N 1.610 124.437 122.820 0.012 0.000 2.354 711 A HA 0.301 4.621 4.320 0.000 0.000 0.321 711 A C 0.787 178.288 177.584 -0.137 0.000 1.125 711 A CA -0.775 51.202 52.037 -0.100 0.000 0.799 711 A CB 1.569 20.468 19.000 -0.168 0.000 1.293 711 A HN 0.874 nan 8.150 nan 0.000 0.452 712 Q N -0.418 119.238 119.800 -0.240 0.000 2.079 712 Q HA -0.061 4.279 4.340 0.000 0.000 0.200 712 Q C 0.224 175.884 176.000 -0.566 0.000 0.974 712 Q CA 1.870 57.447 55.803 -0.376 0.000 0.840 712 Q CB -0.104 28.381 28.738 -0.421 0.000 0.898 712 Q HN 0.826 nan 8.270 nan 0.000 0.430 713 M N -0.806 118.506 119.600 -0.479 0.000 2.421 713 M HA 0.483 4.963 4.480 0.000 0.000 0.287 713 M C -1.958 174.165 176.300 -0.295 0.000 1.183 713 M CA -0.547 54.498 55.300 -0.426 0.000 0.916 713 M CB 1.971 34.259 32.600 -0.520 0.000 1.701 713 M HN -0.078 nan 8.290 nan 0.000 0.470 714 I N 3.232 123.670 120.570 -0.220 0.000 2.406 714 I HA 0.727 4.897 4.170 0.000 0.000 0.290 714 I C 0.310 176.304 176.117 -0.205 0.000 0.999 714 I CA -1.255 59.923 61.300 -0.203 0.000 1.124 714 I CB 2.024 39.949 38.000 -0.125 0.000 1.289 714 I HN 1.074 nan 8.210 nan 0.000 0.441 715 A N 4.727 127.408 122.820 -0.231 0.000 2.565 715 A HA 0.395 4.715 4.320 0.000 0.000 0.237 715 A C 0.772 178.184 177.584 -0.287 0.000 1.053 715 A CA 0.477 52.326 52.037 -0.313 0.000 0.755 715 A CB -0.174 18.631 19.000 -0.324 0.000 0.980 715 A HN 0.903 nan 8.150 nan 0.000 0.506 716 G N 0.937 109.553 108.800 -0.306 0.000 2.563 716 G HA2 0.364 4.324 3.960 0.000 0.000 0.283 716 G HA3 0.364 4.324 3.960 0.000 0.000 0.283 716 G C 0.920 175.721 174.900 -0.165 0.000 1.309 716 G CA -0.035 44.946 45.100 -0.198 0.000 1.022 716 G HN 0.932 nan 8.290 nan 0.000 0.501 717 K N -0.850 119.490 120.400 -0.101 0.000 2.209 717 K HA -0.047 4.273 4.320 0.000 0.000 0.204 717 K C 1.487 178.045 176.600 -0.070 0.000 1.048 717 K CA 1.649 57.896 56.287 -0.066 0.000 0.940 717 K CB 0.051 32.515 32.500 -0.060 0.000 0.729 717 K HN 0.536 nan 8.250 nan 0.000 0.451 718 E N 0.824 120.970 120.200 -0.089 0.000 2.502 718 E HA 0.096 4.446 4.350 0.000 0.000 0.194 718 E C -0.035 176.497 176.600 -0.114 0.000 1.062 718 E CA -0.158 56.199 56.400 -0.071 0.000 0.867 718 E CB 0.430 30.099 29.700 -0.051 0.000 0.888 718 E HN 0.412 nan 8.360 nan 0.000 0.510 719 A N 0.634 123.321 122.820 -0.223 0.000 2.310 719 A HA 0.240 4.560 4.320 0.000 0.000 0.299 719 A C 1.261 178.773 177.584 -0.120 0.000 1.147 719 A CA -0.486 51.361 52.037 -0.315 0.000 0.818 719 A CB 1.149 19.617 19.000 -0.886 0.000 1.096 719 A HN 0.009 nan 8.150 nan 0.000 0.495 720 V N 2.157 122.081 119.914 0.017 0.000 2.490 720 V HA -0.152 3.968 4.120 0.000 0.000 0.250 720 V C 2.010 178.127 176.094 0.038 0.000 1.061 720 V CA 1.905 64.235 62.300 0.050 0.000 1.064 720 V CB -0.740 31.140 31.823 0.096 0.000 0.670 720 V HN 0.840 nan 8.190 nan 0.000 0.461 721 R N 0.284 120.820 120.500 0.061 0.000 2.568 721 R HA 0.395 4.735 4.340 0.000 0.000 0.288 721 R C 0.736 176.983 176.300 -0.087 0.000 1.077 721 R CA 0.113 56.234 56.100 0.035 0.000 1.102 721 R CB 0.012 30.407 30.300 0.159 0.000 1.278 721 R HN 0.410 nan 8.270 nan 0.000 0.560 722 A N 0.660 123.403 122.820 -0.129 0.000 2.600 722 A HA 0.218 4.538 4.320 0.000 0.000 0.244 722 A C 1.427 178.833 177.584 -0.297 0.000 1.016 722 A CA 1.284 53.213 52.037 -0.180 0.000 0.778 722 A CB -0.359 18.594 19.000 -0.079 0.000 0.920 722 A HN 0.659 nan 8.150 nan 0.000 0.513 723 G N 1.770 110.261 108.800 -0.514 0.000 2.213 723 G HA2 -0.205 3.755 3.960 0.000 0.000 0.236 723 G HA3 -0.205 3.755 3.960 0.000 0.000 0.236 723 G C 0.043 174.670 174.900 -0.454 0.000 0.991 723 G CA 0.403 44.919 45.100 -0.973 0.000 0.629 723 G HN 0.893 nan 8.290 nan 0.000 0.517 724 E N 1.159 121.187 120.200 -0.286 0.000 2.229 724 E HA 0.590 4.940 4.350 0.000 0.000 0.283 724 E C 0.574 177.006 176.600 -0.280 0.000 1.030 724 E CA 0.167 56.432 56.400 -0.224 0.000 0.836 724 E CB 1.337 30.968 29.700 -0.115 0.000 1.068 724 E HN 0.614 nan 8.360 nan 0.000 0.401 725 A N 4.145 126.700 122.820 -0.441 0.000 2.279 725 A HA 0.532 4.852 4.320 0.000 0.000 0.303 725 A C -0.232 177.084 177.584 -0.447 0.000 1.108 725 A CA -0.420 51.315 52.037 -0.504 0.000 0.830 725 A CB 0.793 19.268 19.000 -0.875 0.000 1.106 725 A HN 0.547 nan 8.150 nan 0.000 0.493 726 K N 0.046 120.150 120.400 -0.494 0.000 2.512 726 K HA 0.383 4.703 4.320 0.000 0.000 0.263 726 K C -1.009 175.028 176.600 -0.938 0.000 0.966 726 K CA -0.904 54.950 56.287 -0.721 0.000 0.851 726 K CB 1.754 33.993 32.500 -0.435 0.000 1.395 726 K HN 0.845 nan 8.250 nan 0.000 0.440 727 N N 0.813 118.451 118.700 -1.771 0.000 2.681 727 N HA -0.178 4.562 4.740 0.000 0.000 0.259 727 N C -0.488 174.763 175.510 -0.432 0.000 1.066 727 N CA 0.431 52.898 53.050 -0.972 0.000 0.717 727 N CB -0.863 37.354 38.487 -0.450 0.000 0.885 727 N HN 0.668 nan 8.380 nan 0.000 0.547 728 S N -1.246 114.288 115.700 -0.276 0.000 2.624 728 S HA 0.340 4.810 4.470 0.000 0.000 0.263 728 S C 1.036 175.795 174.600 0.266 0.000 1.287 728 S CA 0.376 58.571 58.200 -0.009 0.000 0.990 728 S CB 1.105 64.337 63.200 0.054 0.000 0.950 728 S HN 0.632 nan 8.310 nan 0.000 0.561 729 W N -1.111 120.209 121.300 0.033 0.000 0.649 729 W HA -0.274 4.386 4.660 0.000 0.000 0.221 729 W C 0.129 176.648 176.519 0.001 0.000 1.002 729 W CA 1.121 58.501 57.345 0.058 0.000 0.879 729 W CB -1.381 28.199 29.460 0.201 0.000 1.806 729 W HN 0.605 nan 8.180 nan 0.000 0.496 730 L N 2.066 123.468 121.223 0.298 0.000 2.334 730 L HA 0.521 4.862 4.340 0.000 0.000 0.286 730 L C 0.409 177.326 176.870 0.078 0.000 1.108 730 L CA 0.592 55.510 54.840 0.130 0.000 0.875 730 L CB 0.409 42.528 42.059 0.099 0.000 1.246 730 L HN 0.021 nan 8.230 nan 0.000 0.439 731 T N 0.515 115.107 114.554 0.064 0.000 3.047 731 T HA 0.312 4.662 4.350 0.000 0.000 0.340 731 T C 0.926 175.666 174.700 0.068 0.000 1.421 731 T CA -0.001 62.143 62.100 0.073 0.000 1.090 731 T CB 1.569 70.451 68.868 0.023 0.000 1.292 731 T HN 0.555 nan 8.240 nan 0.000 0.480 732 G N 1.609 110.509 108.800 0.168 0.000 2.625 732 G HA2 -0.045 3.916 3.960 0.000 0.000 0.214 732 G HA3 -0.045 3.916 3.960 0.000 0.000 0.214 732 G C 1.275 176.034 174.900 -0.235 0.000 1.132 732 G CA 1.355 46.445 45.100 -0.016 0.000 0.782 732 G HN 0.816 nan 8.290 nan 0.000 0.538 733 T N 1.423 115.873 114.554 -0.174 0.000 2.759 733 T HA -0.084 4.266 4.350 0.000 0.000 0.269 733 T C 2.794 177.280 174.700 -0.357 0.000 1.042 733 T CA 1.449 63.393 62.100 -0.260 0.000 1.140 733 T CB -0.228 68.519 68.868 -0.202 0.000 0.864 733 T HN 0.409 nan 8.240 nan 0.000 0.455 734 A N 1.505 124.198 122.820 -0.212 0.000 1.858 734 A HA 0.162 4.482 4.320 0.000 0.000 0.216 734 A C 2.683 180.249 177.584 -0.031 0.000 1.190 734 A CA 1.872 53.833 52.037 -0.127 0.000 0.617 734 A CB -1.264 17.762 19.000 0.043 0.000 0.827 734 A HN 0.504 nan 8.150 nan 0.000 0.443 735 A N -1.530 121.272 122.820 -0.030 0.000 1.877 735 A HA -0.181 4.139 4.320 0.000 0.000 0.216 735 A C 2.042 179.600 177.584 -0.044 0.000 1.186 735 A CA 1.446 53.464 52.037 -0.031 0.000 0.620 735 A CB -1.012 17.904 19.000 -0.140 0.000 0.822 735 A HN 0.748 nan 8.150 nan 0.000 0.443 736 W N -0.129 121.141 121.300 -0.049 0.000 2.363 736 W HA -0.119 4.541 4.660 0.000 0.000 0.296 736 W C 2.177 178.692 176.519 -0.006 0.000 1.212 736 W CA 1.323 58.662 57.345 -0.009 0.000 1.260 736 W CB -0.280 29.097 29.460 -0.137 0.000 1.131 736 W HN 0.407 nan 8.180 nan 0.000 0.530 737 N N -0.812 117.951 118.700 0.105 0.000 2.270 737 N HA -0.166 4.574 4.740 0.000 0.000 0.181 737 N C 1.467 177.087 175.510 0.182 0.000 1.016 737 N CA 1.205 54.310 53.050 0.091 0.000 0.870 737 N CB -0.517 37.836 38.487 -0.222 0.000 0.979 737 N HN -0.020 nan 8.380 nan 0.000 0.431 738 F N 0.667 120.642 119.950 0.043 0.000 2.186 738 F HA -0.057 4.470 4.527 0.000 0.000 0.299 738 F C 1.905 177.687 175.800 -0.030 0.000 1.090 738 F CA 0.748 58.758 58.000 0.017 0.000 1.307 738 F CB -0.306 38.697 39.000 0.005 0.000 1.019 738 F HN -0.187 nan 8.300 nan 0.000 0.489 739 V N 0.346 120.289 119.914 0.047 0.000 2.295 739 V HA -0.316 3.804 4.120 0.000 0.000 0.246 739 V C 2.708 178.871 176.094 0.116 0.000 1.049 739 V CA 1.802 64.124 62.300 0.037 0.000 1.024 739 V CB -1.480 30.435 31.823 0.153 0.000 0.648 739 V HN 0.452 nan 8.190 nan 0.000 0.447 740 A N -0.600 122.342 122.820 0.203 0.000 1.858 740 A HA -0.195 4.125 4.320 0.000 0.000 0.216 740 A C 2.468 180.067 177.584 0.024 0.000 1.190 740 A CA 2.282 54.450 52.037 0.219 0.000 0.617 740 A CB -0.873 18.254 19.000 0.211 0.000 0.827 740 A HN 0.327 nan 8.150 nan 0.000 0.443 741 V N 0.540 120.356 119.914 -0.163 0.000 2.323 741 V HA -0.168 3.952 4.120 0.000 0.000 0.244 741 V C 2.910 178.765 176.094 -0.398 0.000 1.041 741 V CA 2.907 64.990 62.300 -0.361 0.000 1.025 741 V CB -0.364 31.178 31.823 -0.468 0.000 0.656 741 V HN 0.813 nan 8.190 nan 0.000 0.451 742 S N -1.024 114.280 115.700 -0.660 0.000 2.387 742 S HA -0.199 4.271 4.470 0.000 0.000 0.226 742 S C 1.845 176.193 174.600 -0.420 0.000 1.026 742 S CA 1.485 59.190 58.200 -0.825 0.000 0.972 742 S CB -0.329 61.752 63.200 -1.866 0.000 0.814 742 S HN 0.741 nan 8.310 nan 0.000 0.477 743 Q N -1.231 118.340 119.800 -0.381 0.000 2.373 743 Q HA 0.218 4.558 4.340 0.000 0.000 0.210 743 Q C 1.193 176.858 176.000 -0.557 0.000 0.913 743 Q CA 0.719 56.277 55.803 -0.408 0.000 0.911 743 Q CB 0.088 28.556 28.738 -0.450 0.000 1.040 743 Q HN 0.715 nan 8.270 nan 0.000 0.521 744 Y N -0.778 119.472 120.300 -0.083 0.000 2.607 744 Y HA 0.120 4.670 4.550 0.000 0.000 0.276 744 Y C 1.753 177.618 175.900 -0.059 0.000 1.117 744 Y CA 0.068 58.142 58.100 -0.043 0.000 1.273 744 Y CB 0.361 38.820 38.460 -0.001 0.000 1.282 744 Y HN -0.071 nan 8.280 nan 0.000 0.514 745 L N -0.478 120.759 121.223 0.023 0.000 2.034 745 L HA -0.124 4.216 4.340 0.000 0.000 0.203 745 L C 1.932 178.728 176.870 -0.124 0.000 1.074 745 L CA 1.244 56.043 54.840 -0.068 0.000 0.748 745 L CB -0.645 41.319 42.059 -0.159 0.000 0.905 745 L HN 0.183 nan 8.230 nan 0.000 0.439 746 L N -0.214 120.904 121.223 -0.176 0.000 2.376 746 L HA -0.002 4.338 4.340 0.000 0.000 0.219 746 L C 1.490 178.378 176.870 0.031 0.000 1.133 746 L CA 0.741 55.497 54.840 -0.141 0.000 0.816 746 L CB -0.746 41.227 42.059 -0.142 0.000 0.933 746 L HN 0.618 nan 8.230 nan 0.000 0.449 747 G N 0.258 109.030 108.800 -0.047 0.000 2.153 747 G HA2 -0.254 3.706 3.960 0.000 0.000 0.252 747 G HA3 -0.254 3.706 3.960 0.000 0.000 0.252 747 G C 0.149 174.993 174.900 -0.095 0.000 0.994 747 G CA 0.194 45.249 45.100 -0.075 0.000 0.698 747 G HN 0.162 nan 8.290 nan 0.000 0.521 748 V N 1.688 121.566 119.914 -0.059 0.000 2.304 748 V HA 0.628 4.748 4.120 0.000 0.000 0.269 748 V C 0.597 176.634 176.094 -0.095 0.000 1.036 748 V CA -0.077 62.195 62.300 -0.047 0.000 0.840 748 V CB 0.671 32.518 31.823 0.039 0.000 1.036 748 V HN 0.660 nan 8.190 nan 0.000 0.466 749 R N 4.133 124.532 120.500 -0.169 0.000 2.574 749 R HA 0.678 5.018 4.340 0.000 0.000 0.288 749 R C -3.307 172.905 176.300 -0.147 0.000 1.004 749 R CA -2.134 53.850 56.100 -0.193 0.000 0.895 749 R CB 1.982 32.078 30.300 -0.340 0.000 1.191 749 R HN 0.274 nan 8.270 nan 0.000 0.444 750 P HA 0.126 nan 4.420 nan 0.000 0.271 750 P C -1.032 176.216 177.300 -0.087 0.000 1.216 750 P CA 0.062 63.145 63.100 -0.028 0.000 0.771 750 P CB 0.794 32.492 31.700 -0.002 0.000 0.864 751 D N 0.651 121.011 120.400 -0.066 0.000 2.654 751 D HA 0.218 4.858 4.640 0.000 0.000 0.255 751 D C 0.821 177.094 176.300 -0.044 0.000 1.101 751 D CA -0.642 53.269 54.000 -0.148 0.000 1.116 751 D CB 0.658 41.394 40.800 -0.106 0.000 1.348 751 D HN 0.199 nan 8.370 nan 0.000 0.609 752 Y N 0.134 120.524 120.300 0.150 0.000 2.181 752 Y HA -0.060 4.490 4.550 0.000 0.000 0.288 752 Y C 1.547 177.662 175.900 0.358 0.000 1.146 752 Y CA 1.404 59.663 58.100 0.265 0.000 1.164 752 Y CB 0.111 38.783 38.460 0.353 0.000 0.982 752 Y HN 0.320 nan 8.280 nan 0.000 0.515 753 D N -1.856 118.743 120.400 0.333 0.000 2.441 753 D HA 0.278 4.918 4.640 0.000 0.000 0.210 753 D C 0.856 177.036 176.300 -0.199 0.000 1.102 753 D CA 0.649 54.779 54.000 0.216 0.000 0.840 753 D CB 1.016 41.909 40.800 0.156 0.000 0.990 753 D HN 0.279 nan 8.370 nan 0.000 0.505 754 G N 0.441 108.901 108.800 -0.566 0.000 2.660 754 G HA2 0.465 4.425 3.960 0.000 0.000 0.290 754 G HA3 0.465 4.425 3.960 0.000 0.000 0.290 754 G C -1.970 172.344 174.900 -0.977 0.000 1.432 754 G CA -0.699 43.808 45.100 -0.989 0.000 0.807 754 G HN 0.022 nan 8.290 nan 0.000 0.485 755 L N 1.339 122.080 121.223 -0.804 0.000 2.257 755 L HA 0.637 4.977 4.340 0.000 0.000 0.290 755 L C -0.003 176.687 176.870 -0.300 0.000 1.044 755 L CA -0.574 53.989 54.840 -0.462 0.000 0.810 755 L CB 1.289 43.025 42.059 -0.538 0.000 1.193 755 L HN 0.282 nan 8.230 nan 0.000 0.425 756 V N 5.951 125.733 119.914 -0.221 0.000 2.614 756 V HA 0.281 4.401 4.120 0.000 0.000 0.291 756 V C -0.060 175.945 176.094 -0.148 0.000 1.049 756 V CA -0.393 61.808 62.300 -0.165 0.000 1.038 756 V CB 1.428 33.164 31.823 -0.145 0.000 0.980 756 V HN 0.518 nan 8.190 nan 0.000 0.481 757 V N 3.866 123.712 119.914 -0.114 0.000 2.327 757 V HA 0.354 4.474 4.120 0.000 0.000 0.272 757 V C -0.538 175.517 176.094 -0.065 0.000 1.019 757 V CA -0.300 61.948 62.300 -0.087 0.000 0.814 757 V CB 1.267 33.044 31.823 -0.076 0.000 1.040 757 V HN 0.971 nan 8.190 nan 0.000 0.440 758 D N 5.275 125.638 120.400 -0.062 0.000 2.613 758 D HA 0.387 5.027 4.640 0.000 0.000 0.312 758 D C -2.718 173.575 176.300 -0.011 0.000 1.202 758 D CA -1.702 52.276 54.000 -0.037 0.000 0.825 758 D CB 1.528 42.304 40.800 -0.040 0.000 1.113 758 D HN 0.251 nan 8.370 nan 0.000 0.502 759 P HA 0.166 nan 4.420 nan 0.000 0.264 759 P C -0.732 176.585 177.300 0.030 0.000 1.183 759 P CA 0.151 63.280 63.100 0.049 0.000 0.763 759 P CB 0.606 32.353 31.700 0.078 0.000 0.807 760 Q N 2.586 122.400 119.800 0.023 0.000 4.082 760 Q HA 0.330 4.670 4.340 0.000 0.000 0.180 760 Q C -0.884 175.110 176.000 -0.009 0.000 0.863 760 Q CA 0.163 55.977 55.803 0.018 0.000 0.772 760 Q CB -0.493 28.273 28.738 0.046 0.000 1.527 760 Q HN 0.449 nan 8.270 nan 0.000 0.441 761 I N -0.517 120.019 120.570 -0.056 0.000 4.327 761 I HA 0.560 4.730 4.170 0.000 0.000 0.331 761 I C 0.578 176.596 176.117 -0.165 0.000 1.348 761 I CA 0.659 61.862 61.300 -0.161 0.000 1.152 761 I CB 0.545 38.339 38.000 -0.344 0.000 1.151 761 I HN 0.595 nan 8.210 nan 0.000 0.410 762 G N 2.117 110.872 108.800 -0.075 0.000 2.757 762 G HA2 -0.181 3.779 3.960 0.000 0.000 0.638 762 G HA3 -0.181 3.779 3.960 0.000 0.000 0.638 762 G C -2.295 172.573 174.900 -0.053 0.000 1.344 762 G CA -0.175 44.900 45.100 -0.041 0.000 0.855 762 G HN 0.072 nan 8.290 nan 0.000 0.537 763 P HA 0.076 nan 4.420 nan 0.000 0.237 763 P C 0.637 177.940 177.300 0.006 0.000 1.178 763 P CA 1.267 64.366 63.100 -0.002 0.000 0.766 763 P CB 0.138 31.845 31.700 0.012 0.000 0.876 764 D N -0.049 120.357 120.400 0.010 0.000 2.312 764 D HA -0.010 4.630 4.640 0.000 0.000 0.211 764 D C 0.630 176.926 176.300 -0.007 0.000 0.964 764 D CA 0.837 54.875 54.000 0.063 0.000 0.877 764 D CB 0.199 41.151 40.800 0.253 0.000 0.924 764 D HN 0.107 nan 8.370 nan 0.000 0.515 765 V N 2.806 122.646 119.914 -0.123 0.000 2.313 765 V HA 0.119 4.239 4.120 0.000 0.000 0.262 765 V C -1.528 174.585 176.094 0.032 0.000 1.011 765 V CA -0.948 61.297 62.300 -0.091 0.000 0.858 765 V CB 1.712 33.349 31.823 -0.310 0.000 1.104 765 V HN -0.044 nan 8.190 nan 0.000 0.456 766 P HA -0.048 nan 4.420 nan 0.000 0.218 766 P C 0.474 177.798 177.300 0.040 0.000 1.149 766 P CA 1.089 64.211 63.100 0.037 0.000 0.817 766 P CB 0.528 32.242 31.700 0.023 0.000 0.785 767 S N -0.903 114.846 115.700 0.082 0.000 2.546 767 S HA 0.645 5.115 4.470 0.000 0.000 0.272 767 S C -1.067 173.619 174.600 0.144 0.000 1.140 767 S CA -0.759 57.458 58.200 0.027 0.000 0.920 767 S CB 1.402 64.600 63.200 -0.003 0.000 1.083 767 S HN 0.312 nan 8.310 nan 0.000 0.476 768 Y N -1.797 118.484 120.300 -0.032 0.000 2.702 768 Y HA 0.799 5.349 4.550 0.000 0.000 0.336 768 Y C -1.356 174.526 175.900 -0.030 0.000 1.203 768 Y CA -1.038 57.046 58.100 -0.026 0.000 1.072 768 Y CB 0.869 39.310 38.460 -0.032 0.000 1.327 768 Y HN 0.601 nan 8.280 nan 0.000 0.456 769 T N 2.176 116.826 114.554 0.160 0.000 2.881 769 T HA 0.616 4.966 4.350 0.000 0.000 0.290 769 T C -1.413 173.352 174.700 0.109 0.000 1.000 769 T CA -0.697 61.434 62.100 0.051 0.000 0.978 769 T CB 1.693 70.565 68.868 0.008 0.000 0.997 769 T HN 0.625 nan 8.240 nan 0.000 0.443 770 V N 3.274 123.218 119.914 0.049 0.000 2.459 770 V HA 0.489 4.609 4.120 0.000 0.000 0.295 770 V C 0.133 176.156 176.094 -0.118 0.000 1.029 770 V CA -0.619 61.646 62.300 -0.059 0.000 0.874 770 V CB 1.952 33.710 31.823 -0.108 0.000 0.985 770 V HN 0.984 nan 8.190 nan 0.000 0.438 771 T N 5.485 119.945 114.554 -0.156 0.000 2.770 771 T HA 0.513 4.863 4.350 0.000 0.000 0.297 771 T C -0.235 174.357 174.700 -0.178 0.000 0.997 771 T CA -0.407 61.632 62.100 -0.103 0.000 0.949 771 T CB 0.546 69.383 68.868 -0.050 0.000 0.941 771 T HN 0.593 nan 8.240 nan 0.000 0.457 772 R N 3.106 123.544 120.500 -0.102 0.000 2.476 772 R HA 0.561 4.901 4.340 0.000 0.000 0.305 772 R C -1.488 174.879 176.300 0.112 0.000 0.965 772 R CA -0.531 55.518 56.100 -0.084 0.000 0.867 772 R CB 0.798 31.002 30.300 -0.160 0.000 1.176 772 R HN 0.402 nan 8.270 nan 0.000 0.447 773 V N 4.011 123.981 119.914 0.093 0.000 2.385 773 V HA 0.755 4.875 4.120 0.000 0.000 0.269 773 V C -0.123 176.047 176.094 0.126 0.000 1.043 773 V CA -0.213 62.159 62.300 0.120 0.000 0.906 773 V CB 0.949 32.804 31.823 0.053 0.000 0.995 773 V HN 0.907 nan 8.190 nan 0.000 0.467 774 A N 5.334 128.279 122.820 0.207 0.000 2.398 774 A HA 0.798 5.118 4.320 0.000 0.000 0.301 774 A C 0.355 177.957 177.584 0.030 0.000 1.041 774 A CA -0.779 51.308 52.037 0.083 0.000 0.711 774 A CB 1.101 20.130 19.000 0.047 0.000 1.240 774 A HN 0.683 nan 8.150 nan 0.000 0.420 775 R N 1.190 121.590 120.500 -0.166 0.000 3.416 775 R HA -0.229 4.111 4.340 0.000 0.000 0.263 775 R C 1.078 177.338 176.300 -0.066 0.000 1.053 775 R CA 1.448 57.426 56.100 -0.204 0.000 0.705 775 R CB -2.326 27.723 30.300 -0.417 0.000 1.124 775 R HN 2.584 nan 8.270 nan 0.000 0.444 776 G N -2.330 106.447 108.800 -0.039 0.000 2.189 776 G HA2 -0.288 3.672 3.960 0.000 0.000 0.267 776 G HA3 -0.288 3.672 3.960 0.000 0.000 0.267 776 G C 0.256 175.145 174.900 -0.018 0.000 0.975 776 G CA 0.767 45.852 45.100 -0.025 0.000 0.644 776 G HN 1.100 nan 8.290 nan 0.000 0.537 777 A N -0.697 122.128 122.820 0.008 0.000 2.356 777 A HA 0.872 5.192 4.320 0.000 0.000 0.323 777 A C 0.092 177.614 177.584 -0.103 0.000 1.119 777 A CA 0.370 52.353 52.037 -0.089 0.000 0.790 777 A CB 1.386 20.278 19.000 -0.179 0.000 1.273 777 A HN 0.637 nan 8.150 nan 0.000 0.452 778 T N 1.668 116.096 114.554 -0.210 0.000 2.767 778 T HA 0.504 4.854 4.350 0.000 0.000 0.284 778 T C -1.293 173.237 174.700 -0.283 0.000 0.973 778 T CA 0.424 62.448 62.100 -0.126 0.000 0.996 778 T CB 0.059 68.879 68.868 -0.080 0.000 0.927 778 T HN 0.365 nan 8.240 nan 0.000 0.456 779 Y N 1.950 122.233 120.300 -0.028 0.000 2.356 779 Y HA 0.325 4.875 4.550 0.000 0.000 0.334 779 Y C 0.619 176.485 175.900 -0.057 0.000 0.958 779 Y CA -1.030 57.050 58.100 -0.033 0.000 1.196 779 Y CB 0.978 39.423 38.460 -0.024 0.000 1.137 779 Y HN 0.426 nan 8.280 nan 0.000 0.485 780 E N 5.122 125.345 120.200 0.038 0.000 2.044 780 E HA 0.293 4.643 4.350 0.000 0.000 0.282 780 E C -0.617 175.985 176.600 0.004 0.000 1.031 780 E CA -0.164 56.237 56.400 0.003 0.000 0.824 780 E CB 0.952 30.639 29.700 -0.021 0.000 1.076 780 E HN 0.629 nan 8.360 nan 0.000 0.395 781 I N 2.633 123.197 120.570 -0.010 0.000 2.306 781 I HA 0.130 4.300 4.170 0.000 0.000 0.288 781 I C 0.173 176.237 176.117 -0.088 0.000 1.036 781 I CA -0.335 60.943 61.300 -0.037 0.000 1.221 781 I CB 1.023 39.002 38.000 -0.036 0.000 1.385 781 I HN 0.028 nan 8.210 nan 0.000 0.472 782 T N 6.070 120.562 114.554 -0.104 0.000 2.744 782 T HA 0.419 4.769 4.350 0.000 0.000 0.291 782 T C 0.020 174.585 174.700 -0.224 0.000 0.957 782 T CA -0.396 61.616 62.100 -0.146 0.000 1.002 782 T CB 1.298 70.108 68.868 -0.097 0.000 0.919 782 T HN 0.171 nan 8.240 nan 0.000 0.468 783 V N 3.837 123.515 119.914 -0.393 0.000 2.459 783 V HA 0.496 4.616 4.120 0.000 0.000 0.295 783 V C 0.256 176.126 176.094 -0.373 0.000 1.029 783 V CA -0.783 61.223 62.300 -0.489 0.000 0.874 783 V CB 1.972 33.199 31.823 -0.994 0.000 0.985 783 V HN 0.900 nan 8.190 nan 0.000 0.438 784 T N 4.066 118.483 114.554 -0.228 0.000 2.842 784 T HA 0.342 4.692 4.350 0.000 0.000 0.308 784 T C -0.377 174.256 174.700 -0.111 0.000 1.041 784 T CA -0.373 61.644 62.100 -0.139 0.000 0.964 784 T CB 0.401 69.214 68.868 -0.093 0.000 0.972 784 T HN 0.704 nan 8.240 nan 0.000 0.460 785 N N 1.366 120.016 118.700 -0.083 0.000 2.407 785 N HA 0.285 5.025 4.740 0.000 0.000 0.277 785 N C 1.182 176.682 175.510 -0.017 0.000 0.995 785 N CA -0.604 52.423 53.050 -0.038 0.000 0.903 785 N CB 1.432 39.924 38.487 0.008 0.000 1.218 785 N HN 0.343 nan 8.380 nan 0.000 0.487 786 S N 2.498 118.188 115.700 -0.017 0.000 2.436 786 S HA 0.154 4.624 4.470 0.000 0.000 0.228 786 S C 1.540 176.136 174.600 -0.006 0.000 1.014 786 S CA 0.634 58.827 58.200 -0.011 0.000 0.950 786 S CB -0.560 62.633 63.200 -0.011 0.000 0.784 786 S HN 1.119 nan 8.310 nan 0.000 0.504 787 G N 1.201 109.997 108.800 -0.007 0.000 2.162 787 G HA2 -0.143 3.817 3.960 0.000 0.000 0.260 787 G HA3 -0.143 3.817 3.960 0.000 0.000 0.260 787 G C 0.260 175.157 174.900 -0.004 0.000 0.976 787 G CA 0.086 45.181 45.100 -0.008 0.000 0.655 787 G HN 1.386 nan 8.290 nan 0.000 0.533 788 A N 1.608 124.426 122.820 -0.003 0.000 2.524 788 A HA 0.572 4.892 4.320 0.000 0.000 0.250 788 A C -0.701 176.883 177.584 0.000 0.000 1.078 788 A CA -0.187 51.850 52.037 -0.001 0.000 0.761 788 A CB 0.144 19.142 19.000 -0.002 0.000 1.012 788 A HN 0.376 nan 8.150 nan 0.000 0.500 789 P HA 0.080 nan 4.420 nan 0.000 0.265 789 P C 1.036 178.339 177.300 0.006 0.000 1.187 789 P CA 1.443 64.545 63.100 0.004 0.000 0.766 789 P CB 0.624 32.327 31.700 0.005 0.000 0.820 790 G N 1.657 110.462 108.800 0.008 0.000 2.257 790 G HA2 -0.289 3.672 3.960 0.000 0.000 0.267 790 G HA3 -0.289 3.672 3.960 0.000 0.000 0.267 790 G C 0.467 175.371 174.900 0.006 0.000 0.984 790 G CA 0.299 45.404 45.100 0.009 0.000 0.626 790 G HN 0.933 nan 8.290 nan 0.000 0.540 791 A N 0.070 122.891 122.820 0.003 0.000 2.451 791 A HA 0.722 5.042 4.320 0.000 0.000 0.266 791 A C 0.586 178.169 177.584 -0.001 0.000 1.119 791 A CA 0.711 52.748 52.037 -0.001 0.000 0.786 791 A CB 0.292 19.290 19.000 -0.004 0.000 1.061 791 A HN 0.572 nan 8.150 nan 0.000 0.503 792 R N 1.378 121.876 120.500 -0.003 0.000 2.787 792 R HA 0.685 5.025 4.340 0.000 0.000 0.271 792 R C 0.173 176.466 176.300 -0.013 0.000 0.993 792 R CA 0.204 56.301 56.100 -0.004 0.000 0.993 792 R CB 1.572 31.871 30.300 -0.002 0.000 1.155 792 R HN 0.903 nan 8.270 nan 0.000 0.486 793 A N 0.944 123.754 122.820 -0.017 0.000 2.351 793 A HA 0.463 4.784 4.320 0.000 0.000 0.257 793 A C -0.639 176.928 177.584 -0.028 0.000 1.087 793 A CA -0.186 51.834 52.037 -0.028 0.000 0.798 793 A CB 0.284 19.263 19.000 -0.036 0.000 1.033 793 A HN 0.751 nan 8.150 nan 0.000 0.488 794 S N 1.271 116.951 115.700 -0.032 0.000 2.503 794 S HA 0.778 5.248 4.470 0.000 0.000 0.301 794 S C -0.631 173.948 174.600 -0.035 0.000 1.087 794 S CA -0.698 57.484 58.200 -0.030 0.000 1.042 794 S CB 0.924 64.108 63.200 -0.026 0.000 1.043 794 S HN 0.583 nan 8.310 nan 0.000 0.489 795 L N 1.770 122.973 121.223 -0.032 0.000 2.333 795 L HA 0.799 5.139 4.340 0.000 0.000 0.269 795 L C -0.005 176.849 176.870 -0.027 0.000 1.010 795 L CA -0.699 54.121 54.840 -0.033 0.000 0.818 795 L CB 2.286 44.325 42.059 -0.033 0.000 1.306 795 L HN 0.876 nan 8.230 nan 0.000 0.430 796 T N 0.998 115.537 114.554 -0.026 0.000 2.928 796 T HA 0.644 4.994 4.350 0.000 0.000 0.296 796 T C -1.264 173.427 174.700 -0.015 0.000 1.000 796 T CA -0.403 61.684 62.100 -0.021 0.000 0.989 796 T CB 1.410 70.263 68.868 -0.024 0.000 1.005 796 T HN 0.244 nan 8.240 nan 0.000 0.442 797 V N 4.832 124.741 119.914 -0.009 0.000 2.540 797 V HA 0.404 4.524 4.120 0.000 0.000 0.302 797 V C -0.245 175.844 176.094 -0.007 0.000 1.035 797 V CA -0.727 61.572 62.300 -0.001 0.000 0.873 797 V CB 1.632 33.462 31.823 0.012 0.000 0.992 797 V HN 1.080 nan 8.190 nan 0.000 0.428 798 D N 4.263 124.656 120.400 -0.011 0.000 2.692 798 D HA -0.218 4.422 4.640 0.000 0.000 0.233 798 D C 1.337 177.627 176.300 -0.016 0.000 1.172 798 D CA 1.713 55.703 54.000 -0.017 0.000 0.636 798 D CB -0.974 39.815 40.800 -0.018 0.000 1.028 798 D HN 1.412 nan 8.370 nan 0.000 0.419 799 G N -1.433 107.357 108.800 -0.016 0.000 2.284 799 G HA2 -0.155 3.805 3.960 0.000 0.000 0.247 799 G HA3 -0.155 3.805 3.960 0.000 0.000 0.247 799 G C 0.385 175.276 174.900 -0.014 0.000 1.012 799 G CA 0.526 45.616 45.100 -0.016 0.000 0.618 799 G HN 1.255 nan 8.290 nan 0.000 0.521 800 A N 1.677 124.489 122.820 -0.013 0.000 2.330 800 A HA 0.827 5.147 4.320 0.000 0.000 0.327 800 A C -2.026 175.550 177.584 -0.012 0.000 1.155 800 A CA -1.251 50.779 52.037 -0.012 0.000 0.803 800 A CB 1.645 20.639 19.000 -0.010 0.000 1.208 800 A HN 0.217 nan 8.150 nan 0.000 0.477 801 P HA 0.311 nan 4.420 nan 0.000 0.271 801 P C -0.159 177.133 177.300 -0.013 0.000 1.218 801 P CA 0.149 63.240 63.100 -0.015 0.000 0.780 801 P CB 1.106 32.797 31.700 -0.015 0.000 0.901 802 V N -1.211 118.694 119.914 -0.015 0.000 3.113 802 V HA 0.585 4.705 4.120 0.000 0.000 0.316 802 V C -0.434 175.650 176.094 -0.017 0.000 1.125 802 V CA -0.972 61.319 62.300 -0.015 0.000 1.026 802 V CB 1.890 33.704 31.823 -0.015 0.000 1.080 802 V HN 0.225 nan 8.190 nan 0.000 0.444 803 D N 1.380 121.770 120.400 -0.017 0.000 2.249 803 D HA 0.621 5.261 4.640 0.000 0.000 0.246 803 D C 0.662 176.949 176.300 -0.021 0.000 1.114 803 D CA 1.856 55.846 54.000 -0.017 0.000 0.854 803 D CB 0.957 41.748 40.800 -0.014 0.000 1.132 803 D HN 1.437 nan 8.370 nan 0.000 0.461 804 G N 2.853 111.640 108.800 -0.021 0.000 2.642 804 G HA2 -0.275 3.685 3.960 0.000 0.000 0.231 804 G HA3 -0.275 3.685 3.960 0.000 0.000 0.231 804 G C 0.201 175.082 174.900 -0.032 0.000 1.338 804 G CA -0.522 44.564 45.100 -0.024 0.000 0.883 804 G HN 0.573 nan 8.290 nan 0.000 0.570 805 R N -0.376 120.101 120.500 -0.039 0.000 2.577 805 R HA 0.342 4.682 4.340 0.000 0.000 0.344 805 R C -0.134 176.122 176.300 -0.073 0.000 1.037 805 R CA 0.256 56.326 56.100 -0.051 0.000 1.102 805 R CB 0.905 31.177 30.300 -0.046 0.000 1.313 805 R HN 0.397 nan 8.270 nan 0.000 0.561 806 T N 1.241 115.750 114.554 -0.075 0.000 2.772 806 T HA 0.262 4.613 4.350 0.000 0.000 0.288 806 T C -0.179 174.451 174.700 -0.117 0.000 0.994 806 T CA -0.386 61.646 62.100 -0.113 0.000 0.951 806 T CB 2.173 70.979 68.868 -0.103 0.000 0.933 806 T HN -0.184 nan 8.240 nan 0.000 0.447 807 V N 7.496 127.319 119.914 -0.152 0.000 2.353 807 V HA 0.260 4.380 4.120 0.000 0.000 0.264 807 V C -1.811 174.180 176.094 -0.171 0.000 1.049 807 V CA -2.104 60.133 62.300 -0.106 0.000 0.896 807 V CB 0.264 32.060 31.823 -0.044 0.000 1.025 807 V HN 0.689 nan 8.190 nan 0.000 0.475 808 P HA -0.042 nan 4.420 nan 0.000 0.264 808 P C -0.636 176.651 177.300 -0.021 0.000 1.183 808 P CA -0.059 62.967 63.100 -0.124 0.000 0.763 808 P CB 0.284 31.968 31.700 -0.028 0.000 0.807 809 Y N 1.365 121.724 120.300 0.098 0.000 2.805 809 Y HA 0.109 4.659 4.550 0.000 0.000 0.331 809 Y C 1.548 177.542 175.900 0.157 0.000 1.241 809 Y CA 0.338 58.540 58.100 0.170 0.000 1.546 809 Y CB -0.722 37.813 38.460 0.125 0.000 1.248 809 Y HN 0.430 nan 8.280 nan 0.000 0.559 810 A N 6.993 130.032 122.820 0.365 0.000 2.287 810 A HA 0.517 4.837 4.320 0.000 0.000 0.273 810 A C -2.032 175.619 177.584 0.112 0.000 1.091 810 A CA -1.557 50.570 52.037 0.150 0.000 0.817 810 A CB -0.306 18.704 19.000 0.017 0.000 1.069 810 A HN 0.576 nan 8.150 nan 0.000 0.492 811 P HA 0.284 nan 4.420 nan 0.000 0.269 811 P C -0.105 177.196 177.300 0.002 0.000 1.215 811 P CA 0.140 63.259 63.100 0.032 0.000 0.780 811 P CB 0.516 32.226 31.700 0.017 0.000 0.898 812 A N 1.324 124.145 122.820 0.001 0.000 2.531 812 A HA 0.396 4.717 4.320 0.000 0.000 0.236 812 A C 1.513 179.080 177.584 -0.029 0.000 1.062 812 A CA 0.825 52.852 52.037 -0.017 0.000 0.760 812 A CB -1.336 17.655 19.000 -0.014 0.000 0.995 812 A HN 0.938 nan 8.150 nan 0.000 0.501 813 G N 0.651 109.426 108.800 -0.041 0.000 2.217 813 G HA2 -0.185 3.775 3.960 0.000 0.000 0.246 813 G HA3 -0.185 3.775 3.960 0.000 0.000 0.246 813 G C 0.661 175.524 174.900 -0.062 0.000 0.990 813 G CA 1.001 46.074 45.100 -0.044 0.000 0.627 813 G HN 2.208 nan 8.290 nan 0.000 0.522 814 S N -0.395 115.256 115.700 -0.082 0.000 2.652 814 S HA 0.731 5.201 4.470 0.000 0.000 0.270 814 S C -0.152 174.349 174.600 -0.166 0.000 1.243 814 S CA 0.526 58.662 58.200 -0.106 0.000 0.999 814 S CB 2.141 65.280 63.200 -0.102 0.000 0.973 814 S HN 0.609 nan 8.310 nan 0.000 0.544 815 T N 1.828 116.288 114.554 -0.157 0.000 2.815 815 T HA 0.510 4.860 4.350 0.000 0.000 0.289 815 T C -0.842 173.743 174.700 -0.191 0.000 1.000 815 T CA -0.537 61.455 62.100 -0.181 0.000 0.958 815 T CB 1.027 69.830 68.868 -0.109 0.000 0.944 815 T HN 0.566 nan 8.240 nan 0.000 0.442 816 V N 4.834 124.575 119.914 -0.288 0.000 2.398 816 V HA 0.467 4.588 4.120 0.000 0.000 0.286 816 V C 0.283 176.326 176.094 -0.085 0.000 1.026 816 V CA -0.943 61.240 62.300 -0.195 0.000 0.868 816 V CB 1.297 32.960 31.823 -0.268 0.000 0.982 816 V HN 0.710 nan 8.190 nan 0.000 0.443 817 R N 3.550 124.024 120.500 -0.044 0.000 2.215 817 R HA 0.555 4.895 4.340 0.000 0.000 0.337 817 R C -1.121 175.176 176.300 -0.004 0.000 1.010 817 R CA -0.458 55.628 56.100 -0.022 0.000 0.871 817 R CB 1.546 31.828 30.300 -0.031 0.000 1.134 817 R HN 0.551 nan 8.270 nan 0.000 0.477 818 V N 2.735 122.655 119.914 0.012 0.000 2.394 818 V HA 0.188 4.308 4.120 0.000 0.000 0.282 818 V C 0.067 176.143 176.094 -0.030 0.000 1.031 818 V CA -0.679 61.624 62.300 0.005 0.000 0.881 818 V CB 1.501 33.341 31.823 0.028 0.000 0.982 818 V HN 0.588 nan 8.190 nan 0.000 0.451 819 E N 3.604 123.782 120.200 -0.037 0.000 2.113 819 E HA 0.551 4.901 4.350 0.000 0.000 0.273 819 E C -1.025 175.537 176.600 -0.065 0.000 0.924 819 E CA -0.207 56.159 56.400 -0.056 0.000 0.764 819 E CB 1.615 31.287 29.700 -0.046 0.000 1.104 819 E HN 0.503 nan 8.360 nan 0.000 0.406 820 V N 3.803 123.661 119.914 -0.093 0.000 2.459 820 V HA 0.525 4.646 4.120 0.000 0.000 0.295 820 V C -0.194 175.839 176.094 -0.102 0.000 1.029 820 V CA -0.745 61.497 62.300 -0.097 0.000 0.874 820 V CB 1.986 33.735 31.823 -0.123 0.000 0.985 820 V HN 0.694 nan 8.190 nan 0.000 0.438 821 T N 4.183 118.692 114.554 -0.074 0.000 2.815 821 T HA 0.646 4.996 4.350 0.000 0.000 0.289 821 T C -0.259 174.410 174.700 -0.052 0.000 1.000 821 T CA -0.292 61.769 62.100 -0.065 0.000 0.958 821 T CB 1.566 70.405 68.868 -0.049 0.000 0.944 821 T HN 0.359 nan 8.240 nan 0.000 0.442 822 V N 0.000 119.882 119.914 -0.053 0.000 2.409 822 V HA 0.000 4.120 4.120 0.000 0.000 0.244 822 V CA 0.000 62.279 62.300 -0.035 0.000 1.235 822 V CB 0.000 31.805 31.823 -0.031 0.000 1.184 822 V HN 0.000 nan 8.190 nan 0.000 0.556