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 2wdv_1_A DATA FIRST_RESID 1 DATA SEQUENCE MKLPVREFDA VVIGAGGAGM RAALQISQSG QTCALLSKVF PTRSHTVSAQ DATA SEQUENCE GGITVALGNT HEDNWEWHMY DTVKGSDYIG DQDAIEYMCK TGPEAILELE DATA SEQUENCE HMGLPFSRLD DGRIYQRPFG GQSKNFGGEQ AARTAAAADR TGHALLHTLY DATA SEQUENCE QQNLKNHTTI FSEWYALDLV KNQDGAVVGC TALCIETGEV VYFKARATVL DATA SEQUENCE ATGGAGRIYQ STTNAHINTG DGVGMAIRAG VPVQDMEMWQ FHPTGIAGAG DATA SEQUENCE VLVTEGCRGE GGYLLNKHGE RFMERYAPNA KDLAGRDVVA RSIMIEIREG DATA SEQUENCE RGCDGPWGPH AKLKLDHLGK EVLESRLPGI LELSRTFAHV DPVKEPIPVI DATA SEQUENCE PTCHYMMGGI PTKVTGQALT VNEKGEDVVV PGLFAVGEIA CVSVHGANRL DATA SEQUENCE GGNSLLDLVV FGRAAGLHLQ ESIAEQGALR DASESDVEAS LDRLNRWNNN DATA SEQUENCE RNGEDPVAIR KALQECMQHN FSVFREGDAM AKGLEQLKVI RERLKNARLD DATA SEQUENCE DTSSEFNTQR VECLELDNLM ETAYATAVSA NFRTESRGAH SRFDFPDRDD DATA SEQUENCE ENWLCHSLYL PESESMTRRS VNMEPKLRPA FPPKIRTY 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 0.000 176.315 176.300 0.025 0.000 1.140 1 M CA 0.000 55.318 55.300 0.030 0.000 0.988 1 M CB 0.000 32.628 32.600 0.047 0.000 1.302 2 K N 2.028 122.442 120.400 0.025 0.000 2.646 2 K HA 0.534 4.423 4.320 -0.718 0.000 0.206 2 K C -1.276 175.343 176.600 0.032 0.000 1.069 2 K CA -0.057 56.244 56.287 0.024 0.000 1.067 2 K CB 0.546 33.056 32.500 0.017 0.000 0.807 2 K HN 0.673 nan 8.250 nan 0.000 0.482 3 L N 1.011 122.260 121.223 0.043 0.000 2.455 3 L HA 0.482 4.392 4.340 -0.718 0.000 0.264 3 L C -2.656 174.248 176.870 0.057 0.000 0.968 3 L CA -1.749 53.125 54.840 0.056 0.000 0.827 3 L CB 2.109 44.209 42.059 0.068 0.000 1.317 3 L HN -0.098 nan 8.230 nan 0.000 0.407 4 P HA 0.209 nan 4.420 nan 0.000 0.268 4 P C -1.262 176.018 177.300 -0.033 0.000 1.205 4 P CA -0.147 62.957 63.100 0.007 0.000 0.771 4 P CB 0.729 32.435 31.700 0.011 0.000 0.858 5 V N 5.006 124.874 119.914 -0.076 0.000 2.417 5 V HA 0.388 4.077 4.120 -0.718 0.000 0.291 5 V C 0.426 176.351 176.094 -0.283 0.000 1.024 5 V CA -0.541 61.658 62.300 -0.168 0.000 0.861 5 V CB 1.305 33.069 31.823 -0.098 0.000 0.985 5 V HN 0.436 nan 8.190 nan 0.000 0.436 6 R N 3.257 123.491 120.500 -0.443 0.000 2.310 6 R HA 0.479 4.388 4.340 -0.718 0.000 0.324 6 R C -0.454 175.631 176.300 -0.360 0.000 0.955 6 R CA -0.495 55.357 56.100 -0.414 0.000 0.830 6 R CB 2.154 32.166 30.300 -0.480 0.000 1.154 6 R HN 0.767 nan 8.270 nan 0.000 0.458 7 E N 3.289 123.224 120.200 -0.442 0.000 2.231 7 E HA 0.415 4.334 4.350 -0.718 0.000 0.277 7 E C -1.147 175.122 176.600 -0.553 0.000 0.999 7 E CA -0.395 55.797 56.400 -0.347 0.000 0.827 7 E CB 0.793 30.332 29.700 -0.268 0.000 1.101 7 E HN 0.291 nan 8.360 nan 0.000 0.393 8 F N 1.174 121.084 119.950 -0.067 0.000 2.685 8 F HA 0.205 4.301 4.527 -0.718 0.000 0.315 8 F C 0.799 176.580 175.800 -0.032 0.000 1.126 8 F CA -0.837 57.146 58.000 -0.029 0.000 0.950 8 F CB 1.494 40.495 39.000 0.000 0.000 1.360 8 F HN 0.413 nan 8.300 nan 0.000 0.469 9 D N 0.642 121.146 120.400 0.173 0.000 2.123 9 D HA 0.142 4.351 4.640 -0.718 0.000 0.200 9 D C 0.226 176.561 176.300 0.059 0.000 0.976 9 D CA 1.249 55.296 54.000 0.079 0.000 0.831 9 D CB 0.152 40.979 40.800 0.045 0.000 0.974 9 D HN 0.411 nan 8.370 nan 0.000 0.469 10 A N 0.022 122.879 122.820 0.062 0.000 2.422 10 A HA 0.558 4.447 4.320 -0.718 0.000 0.302 10 A C -1.076 176.472 177.584 -0.060 0.000 1.041 10 A CA -0.538 51.483 52.037 -0.027 0.000 0.708 10 A CB 2.086 21.026 19.000 -0.100 0.000 1.257 10 A HN -0.100 nan 8.150 nan 0.000 0.414 11 V N 2.879 122.739 119.914 -0.091 0.000 2.350 11 V HA 0.342 4.031 4.120 -0.718 0.000 0.285 11 V C -0.352 175.632 176.094 -0.182 0.000 1.014 11 V CA -0.484 61.698 62.300 -0.197 0.000 0.831 11 V CB 1.412 33.135 31.823 -0.165 0.000 1.000 11 V HN 0.652 nan 8.190 nan 0.000 0.433 12 V N 6.909 126.700 119.914 -0.206 0.000 2.364 12 V HA 0.388 4.077 4.120 -0.718 0.000 0.272 12 V C 0.212 176.200 176.094 -0.177 0.000 1.036 12 V CA -0.253 61.953 62.300 -0.156 0.000 0.880 12 V CB 1.340 33.085 31.823 -0.130 0.000 0.991 12 V HN 0.666 nan 8.190 nan 0.000 0.460 13 I N 5.341 125.822 120.570 -0.148 0.000 2.269 13 I HA 0.635 4.374 4.170 -0.718 0.000 0.293 13 I C 0.800 176.847 176.117 -0.117 0.000 1.106 13 I CA 0.198 61.401 61.300 -0.161 0.000 1.248 13 I CB 0.554 38.462 38.000 -0.152 0.000 1.444 13 I HN 0.844 nan 8.210 nan 0.000 0.497 14 G N 4.473 113.208 108.800 -0.109 0.000 2.957 14 G HA2 0.220 3.749 3.960 -0.718 0.000 0.636 14 G HA3 0.220 3.749 3.960 -0.718 0.000 0.636 14 G C -0.651 174.208 174.900 -0.069 0.000 1.401 14 G CA -0.396 44.658 45.100 -0.076 0.000 0.941 14 G HN 0.758 nan 8.290 nan 0.000 0.610 15 A N 1.452 124.233 122.820 -0.065 0.000 3.154 15 A HA 0.813 4.702 4.320 -0.718 0.000 0.310 15 A C 1.161 178.701 177.584 -0.074 0.000 1.093 15 A CA 0.931 52.924 52.037 -0.073 0.000 1.006 15 A CB -0.130 18.815 19.000 -0.092 0.000 1.084 15 A HN 1.990 nan 8.150 nan 0.000 0.549 16 G N -0.482 108.290 108.800 -0.047 0.000 2.543 16 G HA2 0.441 3.970 3.960 -0.718 0.000 0.267 16 G HA3 0.441 3.970 3.960 -0.718 0.000 0.267 16 G C 1.136 176.019 174.900 -0.028 0.000 1.406 16 G CA 0.127 45.206 45.100 -0.034 0.000 1.048 16 G HN 0.590 nan 8.290 nan 0.000 0.548 17 G N 0.055 108.848 108.800 -0.011 0.000 2.553 17 G HA2 -0.061 3.468 3.960 -0.718 0.000 0.218 17 G HA3 -0.061 3.468 3.960 -0.718 0.000 0.218 17 G C 1.983 176.890 174.900 0.012 0.000 1.195 17 G CA 2.298 47.398 45.100 0.001 0.000 0.779 17 G HN 0.986 nan 8.290 nan 0.000 0.577 18 A N 0.609 123.448 122.820 0.031 0.000 1.898 18 A HA 0.226 4.115 4.320 -0.718 0.000 0.216 18 A C 2.753 180.346 177.584 0.014 0.000 1.181 18 A CA 2.046 54.109 52.037 0.043 0.000 0.620 18 A CB -1.130 17.913 19.000 0.071 0.000 0.819 18 A HN 0.643 nan 8.150 nan 0.000 0.442 19 G N -0.458 108.339 108.800 -0.005 0.000 2.446 19 G HA2 -0.278 3.251 3.960 -0.718 0.000 0.217 19 G HA3 -0.278 3.251 3.960 -0.718 0.000 0.217 19 G C 1.650 176.526 174.900 -0.039 0.000 1.168 19 G CA 1.304 46.386 45.100 -0.030 0.000 0.771 19 G HN 0.448 nan 8.290 nan 0.000 0.551 20 M N -0.481 119.097 119.600 -0.037 0.000 2.229 20 M HA 0.016 4.065 4.480 -0.718 0.000 0.264 20 M C 2.602 178.879 176.300 -0.038 0.000 1.063 20 M CA 1.174 56.450 55.300 -0.041 0.000 1.114 20 M CB -0.095 32.483 32.600 -0.036 0.000 1.387 20 M HN 0.162 nan 8.290 nan 0.000 0.420 21 R N 0.831 121.317 120.500 -0.024 0.000 2.073 21 R HA 0.021 3.930 4.340 -0.718 0.000 0.229 21 R C 2.036 178.320 176.300 -0.025 0.000 1.120 21 R CA 1.871 57.959 56.100 -0.021 0.000 0.967 21 R CB -0.697 29.601 30.300 -0.004 0.000 0.862 21 R HN 0.298 nan 8.270 nan 0.000 0.436 22 A N 0.353 123.160 122.820 -0.022 0.000 1.873 22 A HA -0.003 3.886 4.320 -0.718 0.000 0.215 22 A C 2.366 179.917 177.584 -0.055 0.000 1.186 22 A CA 1.711 53.729 52.037 -0.033 0.000 0.616 22 A CB -1.146 17.837 19.000 -0.028 0.000 0.823 22 A HN 0.461 nan 8.150 nan 0.000 0.442 23 A N -0.358 122.426 122.820 -0.060 0.000 1.859 23 A HA -0.141 3.749 4.320 -0.718 0.000 0.217 23 A C 2.124 179.672 177.584 -0.059 0.000 1.198 23 A CA 1.897 53.893 52.037 -0.068 0.000 0.629 23 A CB -0.862 18.095 19.000 -0.072 0.000 0.830 23 A HN 0.633 nan 8.150 nan 0.000 0.446 24 L N -0.691 120.499 121.223 -0.055 0.000 2.051 24 L HA -0.248 3.661 4.340 -0.718 0.000 0.214 24 L C 2.567 179.409 176.870 -0.047 0.000 1.076 24 L CA 2.760 57.568 54.840 -0.053 0.000 0.758 24 L CB -0.573 41.454 42.059 -0.053 0.000 0.890 24 L HN 0.580 nan 8.230 nan 0.000 0.433 25 Q N -0.757 119.014 119.800 -0.047 0.000 2.163 25 Q HA -0.055 3.855 4.340 -0.718 0.000 0.198 25 Q C 2.119 178.088 176.000 -0.052 0.000 0.954 25 Q CA 1.538 57.312 55.803 -0.048 0.000 0.851 25 Q CB -0.234 28.474 28.738 -0.048 0.000 0.928 25 Q HN 0.612 nan 8.270 nan 0.000 0.459 26 I N -0.197 120.338 120.570 -0.058 0.000 2.226 26 I HA -0.268 3.471 4.170 -0.718 0.000 0.245 26 I C 2.365 178.457 176.117 -0.042 0.000 1.100 26 I CA 1.312 62.575 61.300 -0.062 0.000 1.374 26 I CB -0.392 37.561 38.000 -0.078 0.000 1.057 26 I HN 0.222 nan 8.210 nan 0.000 0.413 27 S N 0.252 115.931 115.700 -0.035 0.000 2.356 27 S HA -0.234 3.805 4.470 -0.718 0.000 0.223 27 S C 1.914 176.504 174.600 -0.016 0.000 1.032 27 S CA 1.478 59.667 58.200 -0.018 0.000 1.005 27 S CB -0.146 63.042 63.200 -0.020 0.000 0.867 27 S HN 0.444 nan 8.310 nan 0.000 0.449 28 Q N 0.282 120.067 119.800 -0.025 0.000 2.515 28 Q HA 0.160 4.069 4.340 -0.718 0.000 0.212 28 Q C 0.853 176.839 176.000 -0.023 0.000 0.970 28 Q CA 0.508 56.297 55.803 -0.023 0.000 0.941 28 Q CB 0.120 28.842 28.738 -0.028 0.000 0.998 28 Q HN 0.327 nan 8.270 nan 0.000 0.518 29 S N -0.813 114.871 115.700 -0.027 0.000 2.561 29 S HA 0.277 4.316 4.470 -0.718 0.000 0.245 29 S C 0.962 175.551 174.600 -0.018 0.000 1.001 29 S CA 0.320 58.504 58.200 -0.027 0.000 1.002 29 S CB 0.787 63.964 63.200 -0.039 0.000 0.805 29 S HN 0.619 nan 8.310 nan 0.000 0.458 30 G N 1.260 110.053 108.800 -0.011 0.000 2.267 30 G HA2 -0.280 3.250 3.960 -0.718 0.000 0.257 30 G HA3 -0.280 3.250 3.960 -0.718 0.000 0.257 30 G C 0.036 174.937 174.900 0.001 0.000 0.998 30 G CA -0.027 45.071 45.100 -0.004 0.000 0.620 30 G HN 0.520 nan 8.290 nan 0.000 0.529 31 Q N 1.209 121.008 119.800 -0.002 0.000 2.306 31 Q HA 0.550 4.460 4.340 -0.718 0.000 0.241 31 Q C 0.915 176.933 176.000 0.029 0.000 0.948 31 Q CA 0.342 56.150 55.803 0.008 0.000 0.886 31 Q CB 0.957 29.693 28.738 -0.004 0.000 1.227 31 Q HN 0.497 nan 8.270 nan 0.000 0.457 32 T N -2.190 112.399 114.554 0.059 0.000 2.904 32 T HA 0.491 4.410 4.350 -0.718 0.000 0.290 32 T C -0.355 174.441 174.700 0.159 0.000 1.018 32 T CA -0.789 61.385 62.100 0.124 0.000 1.075 32 T CB 1.052 70.014 68.868 0.157 0.000 0.986 32 T HN 0.681 nan 8.240 nan 0.000 0.523 33 C N 2.182 121.594 119.300 0.186 0.000 2.832 33 C HA 0.720 4.749 4.460 -0.718 0.000 0.383 33 C C -0.293 174.593 174.990 -0.173 0.000 1.046 33 C CA -0.334 58.694 59.018 0.017 0.000 1.242 33 C CB -0.132 27.590 27.740 -0.030 0.000 1.693 33 C HN 1.336 nan 8.230 nan 0.000 0.497 34 A N 4.949 127.426 122.820 -0.571 0.000 2.290 34 A HA 0.736 4.625 4.320 -0.718 0.000 0.310 34 A C -0.919 176.445 177.584 -0.367 0.000 1.202 34 A CA -0.411 51.188 52.037 -0.729 0.000 0.837 34 A CB 0.827 18.924 19.000 -1.505 0.000 1.139 34 A HN 1.295 nan 8.150 nan 0.000 0.509 35 L N 3.736 124.849 121.223 -0.183 0.000 2.295 35 L HA 0.573 4.482 4.340 -0.718 0.000 0.281 35 L C -1.222 175.581 176.870 -0.112 0.000 1.018 35 L CA -0.293 54.458 54.840 -0.149 0.000 0.841 35 L CB 0.744 42.744 42.059 -0.099 0.000 1.218 35 L HN 0.576 nan 8.230 nan 0.000 0.424 36 L N 3.738 124.834 121.223 -0.212 0.000 2.357 36 L HA 0.722 4.631 4.340 -0.718 0.000 0.273 36 L C 0.172 176.994 176.870 -0.079 0.000 1.080 36 L CA 0.315 55.043 54.840 -0.188 0.000 0.803 36 L CB 1.696 43.523 42.059 -0.387 0.000 1.174 36 L HN 0.695 nan 8.230 nan 0.000 0.443 37 S N 0.588 116.302 115.700 0.025 0.000 2.562 37 S HA 0.330 4.369 4.470 -0.718 0.000 0.274 37 S C 0.346 175.007 174.600 0.102 0.000 1.160 37 S CA -0.707 57.509 58.200 0.027 0.000 0.933 37 S CB 0.972 64.171 63.200 -0.002 0.000 1.100 37 S HN 0.705 nan 8.310 nan 0.000 0.468 38 K N 2.067 122.516 120.400 0.080 0.000 2.288 38 K HA 0.111 4.000 4.320 -0.718 0.000 0.201 38 K C 0.796 177.474 176.600 0.130 0.000 1.048 38 K CA 0.997 57.363 56.287 0.133 0.000 0.956 38 K CB -0.449 32.161 32.500 0.184 0.000 0.746 38 K HN 0.450 nan 8.250 nan 0.000 0.461 39 V N -1.822 118.161 119.914 0.115 0.000 2.994 39 V HA 0.425 4.114 4.120 -0.718 0.000 0.318 39 V C -0.149 176.040 176.094 0.159 0.000 1.085 39 V CA -1.519 60.868 62.300 0.145 0.000 0.998 39 V CB 0.918 32.815 31.823 0.123 0.000 1.063 39 V HN 0.106 nan 8.190 nan 0.000 0.447 40 F N 3.816 123.787 119.950 0.034 0.000 2.608 40 F HA 0.319 4.415 4.527 -0.718 0.000 0.380 40 F C -1.505 174.232 175.800 -0.105 0.000 1.083 40 F CA -1.271 56.714 58.000 -0.024 0.000 1.266 40 F CB 0.827 39.799 39.000 -0.047 0.000 1.076 40 F HN 0.435 nan 8.300 nan 0.000 0.574 41 P HA -0.244 nan 4.420 nan 0.000 0.218 41 P C 1.362 178.343 177.300 -0.533 0.000 1.154 41 P CA 2.798 65.546 63.100 -0.586 0.000 0.872 41 P CB -0.231 31.076 31.700 -0.655 0.000 0.790 42 T N -3.765 110.349 114.554 -0.733 0.000 3.252 42 T HA 0.063 3.982 4.350 -0.718 0.000 0.250 42 T C 1.151 175.737 174.700 -0.191 0.000 1.123 42 T CA 0.100 61.884 62.100 -0.527 0.000 1.006 42 T CB -0.571 67.822 68.868 -0.791 0.000 0.992 42 T HN 0.087 nan 8.240 nan 0.000 0.547 43 R N 0.919 121.381 120.500 -0.062 0.000 2.432 43 R HA 0.325 4.234 4.340 -0.718 0.000 0.260 43 R C 0.215 176.538 176.300 0.037 0.000 0.935 43 R CA -0.172 55.956 56.100 0.046 0.000 1.080 43 R CB 0.213 30.585 30.300 0.120 0.000 1.155 43 R HN 0.299 nan 8.270 nan 0.000 0.531 44 S N 0.877 116.567 115.700 -0.016 0.000 2.589 44 S HA -0.034 4.005 4.470 -0.718 0.000 0.265 44 S C 1.090 175.731 174.600 0.069 0.000 1.342 44 S CA -0.304 57.908 58.200 0.020 0.000 1.005 44 S CB 0.784 63.971 63.200 -0.023 0.000 0.909 44 S HN 0.368 nan 8.310 nan 0.000 0.555 45 H N 1.866 120.935 119.070 -0.002 0.000 2.422 45 H HA -0.089 4.035 4.556 -0.719 0.000 0.298 45 H C 1.860 177.197 175.328 0.015 0.000 1.098 45 H CA 2.264 58.316 56.048 0.007 0.000 1.315 45 H CB -0.636 29.125 29.762 -0.002 0.000 1.382 45 H HN 0.603 nan 8.280 nan 0.000 0.523 46 T N -0.629 113.907 114.554 -0.031 0.000 2.869 46 T HA -0.177 3.742 4.350 -0.718 0.000 0.270 46 T C 2.149 176.797 174.700 -0.087 0.000 1.082 46 T CA 1.156 63.214 62.100 -0.071 0.000 1.123 46 T CB -0.612 68.240 68.868 -0.026 0.000 0.856 46 T HN 0.256 nan 8.240 nan 0.000 0.499 47 V N 0.886 120.761 119.914 -0.066 0.000 2.626 47 V HA -0.090 3.599 4.120 -0.718 0.000 0.252 47 V C 2.153 178.256 176.094 0.015 0.000 1.067 47 V CA 1.693 63.997 62.300 0.006 0.000 1.081 47 V CB -0.360 31.490 31.823 0.045 0.000 0.686 47 V HN 0.410 nan 8.190 nan 0.000 0.468 48 S N 0.345 115.973 115.700 -0.119 0.000 2.603 48 S HA 0.345 4.384 4.470 -0.718 0.000 0.220 48 S C 0.905 175.433 174.600 -0.121 0.000 0.967 48 S CA 0.399 58.517 58.200 -0.136 0.000 0.920 48 S CB -0.220 62.822 63.200 -0.264 0.000 0.773 48 S HN 0.705 nan 8.310 nan 0.000 0.529 49 A N 1.113 123.870 122.820 -0.105 0.000 2.445 49 A HA 0.340 4.229 4.320 -0.718 0.000 0.242 49 A C 0.818 178.420 177.584 0.030 0.000 1.075 49 A CA -0.105 51.917 52.037 -0.024 0.000 0.777 49 A CB 0.386 19.384 19.000 -0.004 0.000 1.013 49 A HN 0.439 nan 8.150 nan 0.000 0.493 50 Q N 1.718 121.558 119.800 0.066 0.000 2.644 50 Q HA 0.127 4.036 4.340 -0.718 0.000 0.220 50 Q C 2.142 178.213 176.000 0.119 0.000 0.866 50 Q CA 0.548 56.401 55.803 0.082 0.000 0.915 50 Q CB -0.031 28.752 28.738 0.074 0.000 1.191 50 Q HN 0.880 nan 8.270 nan 0.000 0.641 51 G N 0.712 109.623 108.800 0.186 0.000 2.545 51 G HA2 0.143 3.672 3.960 -0.718 0.000 0.217 51 G HA3 0.143 3.672 3.960 -0.718 0.000 0.217 51 G C 0.625 175.529 174.900 0.006 0.000 1.218 51 G CA 1.021 46.274 45.100 0.255 0.000 0.787 51 G HN 0.538 nan 8.290 nan 0.000 0.571 52 G N -1.594 107.146 108.800 -0.100 0.000 2.352 52 G HA2 0.316 3.845 3.960 -0.718 0.000 0.283 52 G HA3 0.316 3.845 3.960 -0.718 0.000 0.283 52 G C -1.521 173.292 174.900 -0.145 0.000 1.308 52 G CA -0.558 44.481 45.100 -0.102 0.000 0.892 52 G HN 0.502 nan 8.290 nan 0.000 0.504 53 I N 1.103 121.622 120.570 -0.085 0.000 2.378 53 I HA 0.406 4.145 4.170 -0.718 0.000 0.291 53 I C 0.189 176.212 176.117 -0.156 0.000 0.992 53 I CA -0.638 60.620 61.300 -0.071 0.000 1.154 53 I CB 2.001 40.022 38.000 0.036 0.000 1.315 53 I HN 0.336 nan 8.210 nan 0.000 0.448 54 T N 5.950 120.407 114.554 -0.161 0.000 2.794 54 T HA 0.471 4.391 4.350 -0.718 0.000 0.296 54 T C -0.408 174.162 174.700 -0.218 0.000 0.949 54 T CA -0.271 61.695 62.100 -0.223 0.000 1.101 54 T CB 1.086 69.850 68.868 -0.174 0.000 0.905 54 T HN 0.412 nan 8.240 nan 0.000 0.516 55 V N 2.355 122.088 119.914 -0.301 0.000 3.036 55 V HA 0.602 4.292 4.120 -0.718 0.000 0.280 55 V C -1.001 174.973 176.094 -0.200 0.000 1.497 55 V CA -0.982 61.196 62.300 -0.204 0.000 0.982 55 V CB 1.770 33.533 31.823 -0.100 0.000 1.171 55 V HN 0.980 nan 8.190 nan 0.000 0.444 56 A N 6.430 129.199 122.820 -0.085 0.000 2.981 56 A HA 0.422 4.311 4.320 -0.718 0.000 0.280 56 A C 0.803 178.324 177.584 -0.105 0.000 1.743 56 A CA 0.079 52.073 52.037 -0.072 0.000 1.430 56 A CB -0.515 18.515 19.000 0.050 0.000 1.085 56 A HN 0.931 nan 8.150 nan 0.000 0.597 57 L N 1.299 122.423 121.223 -0.166 0.000 2.249 57 L HA 0.149 4.058 4.340 -0.718 0.000 0.207 57 L C 1.865 178.635 176.870 -0.166 0.000 1.090 57 L CA 0.900 55.639 54.840 -0.169 0.000 0.802 57 L CB -0.195 41.737 42.059 -0.212 0.000 0.947 57 L HN 0.856 nan 8.230 nan 0.000 0.453 58 G N 0.428 109.100 108.800 -0.214 0.000 2.160 58 G HA2 -0.272 3.258 3.960 -0.718 0.000 0.244 58 G HA3 -0.272 3.258 3.960 -0.718 0.000 0.244 58 G C 0.501 175.286 174.900 -0.192 0.000 1.022 58 G CA 0.530 45.495 45.100 -0.224 0.000 0.741 58 G HN 0.303 nan 8.290 nan 0.000 0.508 59 N N -0.250 118.327 118.700 -0.205 0.000 2.251 59 N HA 0.019 4.328 4.740 -0.718 0.000 0.181 59 N C 2.273 177.713 175.510 -0.117 0.000 1.019 59 N CA 1.762 54.726 53.050 -0.144 0.000 0.862 59 N CB -0.252 38.148 38.487 -0.145 0.000 0.992 59 N HN 0.412 nan 8.380 nan 0.000 0.429 60 T N -0.382 114.070 114.554 -0.170 0.000 3.035 60 T HA 0.024 3.943 4.350 -0.718 0.000 0.259 60 T C -0.116 174.610 174.700 0.043 0.000 1.078 60 T CA 0.653 62.718 62.100 -0.057 0.000 1.132 60 T CB -0.089 68.756 68.868 -0.038 0.000 0.900 60 T HN 0.561 nan 8.240 nan 0.000 0.480 61 H N -0.987 118.080 119.070 -0.005 0.000 3.079 61 H HA 0.568 4.693 4.556 -0.718 0.000 0.356 61 H C -1.093 174.254 175.328 0.032 0.000 1.221 61 H CA -1.096 54.966 56.048 0.024 0.000 1.185 61 H CB 0.461 30.248 29.762 0.042 0.000 1.882 61 H HN -0.057 nan 8.280 nan 0.000 0.543 62 E N 1.283 121.561 120.200 0.131 0.000 2.900 62 E HA -0.080 3.840 4.350 -0.718 0.000 0.259 62 E C -0.619 176.079 176.600 0.163 0.000 0.918 62 E CA 0.924 57.372 56.400 0.081 0.000 0.960 62 E CB 0.338 30.105 29.700 0.113 0.000 0.908 62 E HN 0.542 nan 8.360 nan 0.000 0.511 63 D N 2.379 122.729 120.400 -0.083 0.000 2.687 63 D HA 0.411 4.620 4.640 -0.718 0.000 0.264 63 D C -1.368 174.607 176.300 -0.542 0.000 1.091 63 D CA -0.603 53.326 54.000 -0.119 0.000 1.123 63 D CB 1.253 41.973 40.800 -0.133 0.000 1.407 63 D HN 0.394 nan 8.370 nan 0.000 0.591 64 N N 0.743 119.022 118.700 -0.701 0.000 2.493 64 N HA 0.029 4.338 4.740 -0.718 0.000 0.279 64 N C 0.761 175.992 175.510 -0.465 0.000 1.082 64 N CA -0.587 51.952 53.050 -0.851 0.000 0.963 64 N CB 0.740 38.161 38.487 -1.776 0.000 1.627 64 N HN 0.665 nan 8.380 nan 0.000 0.499 65 W N 3.782 124.948 121.300 -0.223 0.000 2.421 65 W HA -0.018 4.211 4.660 -0.719 0.000 0.270 65 W C 0.444 176.979 176.519 0.028 0.000 1.233 65 W CA 0.632 57.953 57.345 -0.040 0.000 1.226 65 W CB -0.302 29.141 29.460 -0.030 0.000 1.121 65 W HN 0.568 nan 8.180 nan 0.000 0.579 66 E N 0.271 120.007 120.200 -0.773 0.000 2.107 66 E HA -0.168 3.751 4.350 -0.718 0.000 0.191 66 E C 1.980 178.567 176.600 -0.022 0.000 0.982 66 E CA 1.598 57.714 56.400 -0.473 0.000 0.809 66 E CB -0.638 28.768 29.700 -0.491 0.000 0.756 66 E HN 0.156 nan 8.360 nan 0.000 0.459 67 W N 0.930 121.983 121.300 -0.412 0.000 2.321 67 W HA -0.191 4.039 4.660 -0.717 0.000 0.306 67 W C 2.152 178.662 176.519 -0.015 0.000 1.217 67 W CA 1.178 58.274 57.345 -0.414 0.000 1.257 67 W CB -1.427 27.814 29.460 -0.367 0.000 1.145 67 W HN 0.360 nan 8.180 nan 0.000 0.509 68 H N -0.734 118.449 119.070 0.189 0.000 2.357 68 H HA -0.150 3.975 4.556 -0.719 0.000 0.301 68 H C 2.340 177.769 175.328 0.168 0.000 1.082 68 H CA 1.568 57.721 56.048 0.175 0.000 1.342 68 H CB -0.155 29.706 29.762 0.165 0.000 1.389 68 H HN 0.027 nan 8.280 nan 0.000 0.511 69 M N 0.139 119.846 119.600 0.178 0.000 2.117 69 M HA -0.233 3.817 4.480 -0.718 0.000 0.262 69 M C 2.145 178.431 176.300 -0.023 0.000 1.065 69 M CA 1.699 57.079 55.300 0.133 0.000 1.114 69 M CB -0.337 32.510 32.600 0.411 0.000 1.361 69 M HN 0.362 nan 8.290 nan 0.000 0.408 70 Y N 1.701 121.872 120.300 -0.213 0.000 2.030 70 Y HA -0.352 3.767 4.550 -0.719 0.000 0.274 70 Y C 1.876 177.592 175.900 -0.308 0.000 1.153 70 Y CA 2.474 60.223 58.100 -0.584 0.000 1.115 70 Y CB -0.724 37.576 38.460 -0.268 0.000 0.969 70 Y HN 0.351 nan 8.280 nan 0.000 0.488 71 D N -0.720 119.664 120.400 -0.026 0.000 2.172 71 D HA -0.199 4.010 4.640 -0.718 0.000 0.196 71 D C 2.092 178.330 176.300 -0.104 0.000 0.999 71 D CA 2.099 56.082 54.000 -0.028 0.000 0.856 71 D CB -0.569 40.344 40.800 0.188 0.000 0.934 71 D HN 0.439 nan 8.370 nan 0.000 0.453 72 T N 0.339 114.850 114.554 -0.071 0.000 2.770 72 T HA -0.051 3.868 4.350 -0.718 0.000 0.263 72 T C 2.308 176.909 174.700 -0.165 0.000 1.039 72 T CA 0.655 62.724 62.100 -0.051 0.000 1.142 72 T CB -0.236 68.612 68.868 -0.033 0.000 0.868 72 T HN -0.035 nan 8.240 nan 0.000 0.435 73 V N 1.890 121.635 119.914 -0.282 0.000 2.255 73 V HA -0.193 3.496 4.120 -0.718 0.000 0.247 73 V C 2.524 178.233 176.094 -0.641 0.000 1.051 73 V CA 1.744 63.828 62.300 -0.359 0.000 1.018 73 V CB -0.561 31.062 31.823 -0.333 0.000 0.641 73 V HN 0.433 nan 8.190 nan 0.000 0.445 74 K N 0.311 120.221 120.400 -0.816 0.000 2.057 74 K HA -0.165 3.724 4.320 -0.718 0.000 0.207 74 K C 2.175 178.531 176.600 -0.407 0.000 1.049 74 K CA 1.733 57.504 56.287 -0.860 0.000 0.931 74 K CB -0.652 31.375 32.500 -0.789 0.000 0.714 74 K HN 0.500 nan 8.250 nan 0.000 0.440 75 G N 0.494 109.171 108.800 -0.204 0.000 2.450 75 G HA2 -0.276 3.253 3.960 -0.718 0.000 0.220 75 G HA3 -0.276 3.253 3.960 -0.718 0.000 0.220 75 G C 1.433 176.333 174.900 -0.000 0.000 1.130 75 G CA 1.176 46.285 45.100 0.014 0.000 0.760 75 G HN 0.514 nan 8.290 nan 0.000 0.557 76 S N -0.230 115.428 115.700 -0.071 0.000 2.603 76 S HA 0.014 4.053 4.470 -0.718 0.000 0.229 76 S C 1.093 175.699 174.600 0.010 0.000 0.972 76 S CA 1.065 59.264 58.200 -0.002 0.000 0.935 76 S CB -0.077 63.120 63.200 -0.006 0.000 0.769 76 S HN 0.304 nan 8.310 nan 0.000 0.536 77 D N 0.137 120.511 120.400 -0.045 0.000 2.870 77 D HA -0.254 3.955 4.640 -0.718 0.000 0.228 77 D C -0.391 176.036 176.300 0.213 0.000 1.147 77 D CA 1.046 55.099 54.000 0.089 0.000 0.757 77 D CB -2.057 38.836 40.800 0.155 0.000 1.091 77 D HN 0.673 nan 8.370 nan 0.000 0.429 78 Y N -3.650 116.670 120.300 0.033 0.000 4.841 78 Y HA -0.352 3.767 4.550 -0.720 0.000 0.242 78 Y C 1.621 177.537 175.900 0.026 0.000 1.002 78 Y CA 1.202 59.323 58.100 0.034 0.000 2.011 78 Y CB -2.311 36.171 38.460 0.038 0.000 1.554 78 Y HN 0.479 nan 8.280 nan 0.000 0.618 79 I N -1.979 118.656 120.570 0.109 0.000 3.976 79 I HA 0.521 4.261 4.170 -0.718 0.000 0.337 79 I C 1.269 177.421 176.117 0.058 0.000 1.359 79 I CA 0.145 61.453 61.300 0.014 0.000 1.098 79 I CB 0.149 38.130 38.000 -0.032 0.000 1.027 79 I HN 0.134 nan 8.210 nan 0.000 0.394 80 G N 1.483 110.334 108.800 0.086 0.000 2.406 80 G HA2 0.120 3.649 3.960 -0.718 0.000 0.251 80 G HA3 0.120 3.649 3.960 -0.718 0.000 0.251 80 G C -0.598 174.375 174.900 0.122 0.000 1.271 80 G CA -0.308 44.857 45.100 0.108 0.000 0.859 80 G HN 0.236 nan 8.290 nan 0.000 0.540 81 D N 1.884 122.377 120.400 0.154 0.000 2.401 81 D HA 0.036 4.246 4.640 -0.718 0.000 0.254 81 D C 1.349 177.719 176.300 0.118 0.000 1.192 81 D CA 0.313 54.399 54.000 0.143 0.000 0.885 81 D CB 1.608 42.484 40.800 0.127 0.000 1.147 81 D HN 0.501 nan 8.370 nan 0.000 0.478 82 Q N 1.261 121.143 119.800 0.138 0.000 2.311 82 Q HA -0.114 3.795 4.340 -0.718 0.000 0.203 82 Q C 1.333 177.439 176.000 0.176 0.000 0.954 82 Q CA 0.689 56.596 55.803 0.173 0.000 0.885 82 Q CB 0.298 29.163 28.738 0.212 0.000 0.963 82 Q HN 0.517 nan 8.270 nan 0.000 0.471 83 D N 0.607 121.091 120.400 0.141 0.000 2.117 83 D HA -0.138 4.071 4.640 -0.718 0.000 0.198 83 D C 1.692 178.088 176.300 0.160 0.000 0.982 83 D CA 1.363 55.445 54.000 0.137 0.000 0.828 83 D CB -0.274 40.582 40.800 0.094 0.000 0.967 83 D HN 0.143 nan 8.370 nan 0.000 0.464 84 A N 1.027 123.931 122.820 0.139 0.000 1.873 84 A HA -0.001 3.889 4.320 -0.718 0.000 0.215 84 A C 2.571 180.321 177.584 0.277 0.000 1.186 84 A CA 1.064 53.217 52.037 0.192 0.000 0.616 84 A CB -0.827 18.207 19.000 0.057 0.000 0.823 84 A HN 0.257 nan 8.150 nan 0.000 0.442 85 I N -0.337 120.342 120.570 0.181 0.000 2.335 85 I HA -0.270 3.469 4.170 -0.718 0.000 0.251 85 I C 2.556 178.772 176.117 0.166 0.000 1.129 85 I CA 1.808 63.198 61.300 0.150 0.000 1.402 85 I CB -0.295 37.766 38.000 0.101 0.000 1.069 85 I HN 0.584 nan 8.210 nan 0.000 0.424 86 E N 0.767 121.096 120.200 0.214 0.000 2.047 86 E HA -0.289 3.630 4.350 -0.718 0.000 0.191 86 E C 2.332 178.947 176.600 0.025 0.000 0.987 86 E CA 1.238 57.766 56.400 0.213 0.000 0.799 86 E CB -0.275 29.586 29.700 0.267 0.000 0.752 86 E HN 0.491 nan 8.360 nan 0.000 0.449 87 Y N 1.029 121.313 120.300 -0.027 0.000 2.151 87 Y HA -0.292 3.827 4.550 -0.719 0.000 0.284 87 Y C 2.405 178.199 175.900 -0.178 0.000 1.166 87 Y CA 2.428 60.470 58.100 -0.098 0.000 1.163 87 Y CB -0.187 38.278 38.460 0.009 0.000 0.974 87 Y HN 0.114 nan 8.280 nan 0.000 0.511 88 M N -1.114 118.527 119.600 0.068 0.000 2.077 88 M HA -0.238 3.811 4.480 -0.718 0.000 0.261 88 M C 2.156 178.360 176.300 -0.159 0.000 1.070 88 M CA 2.304 57.548 55.300 -0.094 0.000 1.125 88 M CB -0.579 32.083 32.600 0.102 0.000 1.339 88 M HN 0.434 nan 8.290 nan 0.000 0.409 89 C N 0.399 119.629 119.300 -0.116 0.000 2.435 89 C HA -0.096 3.933 4.460 -0.718 0.000 0.279 89 C C 2.646 177.548 174.990 -0.145 0.000 1.321 89 C CA 1.226 60.199 59.018 -0.075 0.000 1.752 89 C CB -1.015 26.731 27.740 0.009 0.000 1.959 89 C HN 0.597 nan 8.230 nan 0.000 0.500 90 K N 1.085 121.182 120.400 -0.505 0.000 2.076 90 K HA -0.073 3.817 4.320 -0.718 0.000 0.204 90 K C 1.820 178.059 176.600 -0.603 0.000 1.051 90 K CA 1.876 57.591 56.287 -0.953 0.000 0.949 90 K CB -0.513 31.178 32.500 -1.347 0.000 0.726 90 K HN 0.371 nan 8.250 nan 0.000 0.443 91 T N -0.065 114.149 114.554 -0.566 0.000 2.896 91 T HA 0.027 3.946 4.350 -0.718 0.000 0.263 91 T C 1.705 176.210 174.700 -0.324 0.000 1.050 91 T CA 0.925 62.720 62.100 -0.508 0.000 1.140 91 T CB -0.774 67.657 68.868 -0.728 0.000 0.877 91 T HN 0.479 nan 8.240 nan 0.000 0.457 92 G N 2.987 111.635 108.800 -0.253 0.000 2.808 92 G HA2 -0.294 3.236 3.960 -0.718 0.000 0.225 92 G HA3 -0.294 3.236 3.960 -0.718 0.000 0.225 92 G C -0.679 174.147 174.900 -0.123 0.000 1.210 92 G CA 1.453 46.471 45.100 -0.135 0.000 0.777 92 G HN 0.390 nan 8.290 nan 0.000 0.640 93 P HA -0.100 nan 4.420 nan 0.000 0.214 93 P C 1.744 178.964 177.300 -0.133 0.000 1.163 93 P CA 1.719 64.750 63.100 -0.116 0.000 0.889 93 P CB -0.109 31.530 31.700 -0.101 0.000 0.790 94 E N -0.340 119.774 120.200 -0.145 0.000 2.077 94 E HA -0.190 3.729 4.350 -0.718 0.000 0.193 94 E C 1.866 178.384 176.600 -0.136 0.000 0.989 94 E CA 1.327 57.644 56.400 -0.139 0.000 0.800 94 E CB -0.481 29.135 29.700 -0.140 0.000 0.746 94 E HN 0.063 nan 8.360 nan 0.000 0.452 95 A N 0.870 123.606 122.820 -0.139 0.000 2.067 95 A HA -0.111 3.778 4.320 -0.718 0.000 0.219 95 A C 1.976 179.511 177.584 -0.082 0.000 1.158 95 A CA 0.832 52.801 52.037 -0.114 0.000 0.661 95 A CB -0.216 18.707 19.000 -0.128 0.000 0.801 95 A HN 0.267 nan 8.150 nan 0.000 0.452 96 I N -0.489 120.032 120.570 -0.082 0.000 2.585 96 I HA -0.042 3.697 4.170 -0.718 0.000 0.254 96 I C 2.267 178.352 176.117 -0.053 0.000 1.129 96 I CA 0.656 61.935 61.300 -0.034 0.000 1.455 96 I CB -1.309 36.664 38.000 -0.044 0.000 1.111 96 I HN 0.257 nan 8.210 nan 0.000 0.433 97 L N 0.506 121.642 121.223 -0.145 0.000 2.187 97 L HA -0.228 3.681 4.340 -0.718 0.000 0.213 97 L C 2.426 179.083 176.870 -0.356 0.000 1.100 97 L CA 1.221 55.911 54.840 -0.250 0.000 0.765 97 L CB -0.446 41.447 42.059 -0.276 0.000 0.904 97 L HN 0.306 nan 8.230 nan 0.000 0.437 98 E N 0.381 120.453 120.200 -0.213 0.000 2.077 98 E HA -0.214 3.705 4.350 -0.718 0.000 0.193 98 E C 2.310 178.876 176.600 -0.056 0.000 0.989 98 E CA 0.990 57.303 56.400 -0.144 0.000 0.800 98 E CB -0.003 29.654 29.700 -0.072 0.000 0.746 98 E HN 0.458 nan 8.360 nan 0.000 0.452 99 L N 0.781 121.999 121.223 -0.009 0.000 2.093 99 L HA -0.146 3.763 4.340 -0.718 0.000 0.208 99 L C 2.672 179.588 176.870 0.076 0.000 1.085 99 L CA 0.898 55.761 54.840 0.038 0.000 0.755 99 L CB -0.428 41.672 42.059 0.068 0.000 0.904 99 L HN 0.173 nan 8.230 nan 0.000 0.435 100 E N 0.281 120.565 120.200 0.140 0.000 2.150 100 E HA -0.213 3.706 4.350 -0.718 0.000 0.193 100 E C 1.878 178.592 176.600 0.189 0.000 0.985 100 E CA 1.338 57.866 56.400 0.213 0.000 0.814 100 E CB -0.024 29.822 29.700 0.242 0.000 0.752 100 E HN 0.653 nan 8.360 nan 0.000 0.466 101 H N -1.177 117.927 119.070 0.058 0.000 2.529 101 H HA 0.095 4.220 4.556 -0.718 0.000 0.277 101 H C 1.784 177.118 175.328 0.009 0.000 0.999 101 H CA 0.306 56.370 56.048 0.026 0.000 1.256 101 H CB 0.230 29.998 29.762 0.011 0.000 1.402 101 H HN 0.120 nan 8.280 nan 0.000 0.566 102 M N -0.726 118.947 119.600 0.122 0.000 2.595 102 M HA 0.085 4.134 4.480 -0.718 0.000 0.248 102 M C 1.328 177.643 176.300 0.026 0.000 1.119 102 M CA 0.816 56.145 55.300 0.048 0.000 1.079 102 M CB 0.971 33.580 32.600 0.015 0.000 1.472 102 M HN 0.501 nan 8.290 nan 0.000 0.501 103 G N 0.974 109.800 108.800 0.043 0.000 2.184 103 G HA2 -0.202 3.327 3.960 -0.718 0.000 0.206 103 G HA3 -0.202 3.327 3.960 -0.718 0.000 0.206 103 G C 0.014 174.905 174.900 -0.016 0.000 0.995 103 G CA -0.589 44.525 45.100 0.024 0.000 0.651 103 G HN 0.374 nan 8.290 nan 0.000 0.511 104 L N 2.883 124.066 121.223 -0.066 0.000 2.706 104 L HA 0.198 4.108 4.340 -0.718 0.000 0.282 104 L C -0.998 175.738 176.870 -0.224 0.000 1.219 104 L CA -0.420 54.289 54.840 -0.219 0.000 0.935 104 L CB 0.616 42.420 42.059 -0.424 0.000 1.204 104 L HN 0.033 nan 8.230 nan 0.000 0.491 105 P HA 0.037 nan 4.420 nan 0.000 0.225 105 P C -0.384 176.892 177.300 -0.040 0.000 1.768 105 P CA -0.214 62.845 63.100 -0.069 0.000 0.943 105 P CB -0.369 31.309 31.700 -0.036 0.000 1.936 106 F N 0.616 120.588 119.950 0.036 0.000 2.626 106 F HA -0.036 4.060 4.527 -0.719 0.000 0.354 106 F C 1.720 177.546 175.800 0.045 0.000 1.168 106 F CA 0.825 58.852 58.000 0.044 0.000 1.368 106 F CB -0.029 38.994 39.000 0.039 0.000 1.092 106 F HN 0.053 nan 8.300 nan 0.000 0.612 107 S N 2.596 118.471 115.700 0.292 0.000 2.608 107 S HA 0.479 4.518 4.470 -0.718 0.000 0.261 107 S C -0.083 174.617 174.600 0.167 0.000 1.314 107 S CA -0.755 57.535 58.200 0.150 0.000 0.992 107 S CB 0.617 63.842 63.200 0.042 0.000 0.935 107 S HN 0.318 nan 8.310 nan 0.000 0.564 108 R N 0.695 121.241 120.500 0.076 0.000 2.628 108 R HA 0.442 4.351 4.340 -0.718 0.000 0.288 108 R C -0.756 175.592 176.300 0.081 0.000 0.980 108 R CA -0.584 55.569 56.100 0.088 0.000 0.891 108 R CB 0.899 31.235 30.300 0.059 0.000 1.188 108 R HN 0.521 nan 8.270 nan 0.000 0.450 109 L N 1.750 123.041 121.223 0.113 0.000 2.476 109 L HA 0.023 3.932 4.340 -0.718 0.000 0.264 109 L C 1.322 178.225 176.870 0.054 0.000 1.224 109 L CA -0.146 54.755 54.840 0.102 0.000 0.821 109 L CB 0.467 42.578 42.059 0.087 0.000 1.101 109 L HN 0.497 nan 8.230 nan 0.000 0.488 110 D N 0.529 120.957 120.400 0.046 0.000 2.182 110 D HA -0.186 4.024 4.640 -0.718 0.000 0.201 110 D C 1.274 177.589 176.300 0.025 0.000 0.986 110 D CA 1.575 55.592 54.000 0.029 0.000 0.847 110 D CB -0.164 40.652 40.800 0.027 0.000 0.942 110 D HN 0.662 nan 8.370 nan 0.000 0.467 111 D N -1.691 118.725 120.400 0.027 0.000 2.340 111 D HA 0.165 4.374 4.640 -0.718 0.000 0.220 111 D C 1.490 177.802 176.300 0.020 0.000 1.039 111 D CA 0.794 54.806 54.000 0.020 0.000 0.866 111 D CB 0.211 41.022 40.800 0.018 0.000 0.913 111 D HN 0.206 nan 8.370 nan 0.000 0.523 112 G N -0.383 108.432 108.800 0.025 0.000 2.253 112 G HA2 -0.256 3.273 3.960 -0.718 0.000 0.209 112 G HA3 -0.256 3.273 3.960 -0.718 0.000 0.209 112 G C 0.469 175.386 174.900 0.029 0.000 0.997 112 G CA -0.278 44.839 45.100 0.027 0.000 0.640 112 G HN 0.374 nan 8.290 nan 0.000 0.496 113 R N -0.087 120.424 120.500 0.019 0.000 2.652 113 R HA 0.612 4.521 4.340 -0.718 0.000 0.271 113 R C 0.692 176.992 176.300 -0.001 0.000 1.129 113 R CA -0.530 55.569 56.100 -0.002 0.000 1.200 113 R CB 0.579 30.864 30.300 -0.024 0.000 1.146 113 R HN 0.257 nan 8.270 nan 0.000 0.581 114 I N 1.678 122.208 120.570 -0.066 0.000 2.618 114 I HA -0.077 3.662 4.170 -0.718 0.000 0.284 114 I C 0.110 176.194 176.117 -0.055 0.000 1.146 114 I CA 0.094 61.325 61.300 -0.115 0.000 1.425 114 I CB 0.122 37.880 38.000 -0.403 0.000 1.383 114 I HN 0.432 nan 8.210 nan 0.000 0.562 115 Y N 7.075 127.324 120.300 -0.085 0.000 2.425 115 Y HA 0.173 4.292 4.550 -0.719 0.000 0.331 115 Y C -0.257 175.595 175.900 -0.080 0.000 1.157 115 Y CA -0.063 58.007 58.100 -0.050 0.000 1.372 115 Y CB 0.449 38.914 38.460 0.008 0.000 1.253 115 Y HN 0.497 nan 8.280 nan 0.000 0.536 116 Q N 6.259 125.651 119.800 -0.679 0.000 2.353 116 Q HA 0.439 4.348 4.340 -0.718 0.000 0.268 116 Q C -1.142 174.367 176.000 -0.818 0.000 1.045 116 Q CA -1.177 54.253 55.803 -0.622 0.000 0.811 116 Q CB 2.331 30.851 28.738 -0.363 0.000 1.305 116 Q HN 0.768 nan 8.270 nan 0.000 0.447 117 R N 0.760 120.935 120.500 -0.541 0.000 2.732 117 R HA 0.695 4.604 4.340 -0.718 0.000 0.278 117 R C -2.801 173.494 176.300 -0.008 0.000 0.976 117 R CA -2.176 53.774 56.100 -0.250 0.000 0.963 117 R CB 0.624 30.919 30.300 -0.010 0.000 1.150 117 R HN 0.197 nan 8.270 nan 0.000 0.478 118 P HA 0.118 nan 4.420 nan 0.000 0.270 118 P C -1.309 176.167 177.300 0.294 0.000 1.223 118 P CA 0.017 63.200 63.100 0.138 0.000 0.785 118 P CB 0.322 32.079 31.700 0.095 0.000 0.923 119 F N -0.634 119.314 119.950 -0.004 0.000 2.713 119 F HA 0.491 4.591 4.527 -0.711 0.000 0.311 119 F C 0.293 176.087 175.800 -0.011 0.000 1.141 119 F CA -0.502 57.494 58.000 -0.007 0.000 0.939 119 F CB 1.223 40.217 39.000 -0.011 0.000 1.325 119 F HN 0.333 nan 8.300 nan 0.000 0.453 120 G N 0.789 109.531 108.800 -0.096 0.000 2.305 120 G HA2 0.409 3.938 3.960 -0.718 0.000 0.243 120 G HA3 0.409 3.938 3.960 -0.718 0.000 0.243 120 G C 0.653 175.577 174.900 0.039 0.000 1.288 120 G CA 0.438 45.486 45.100 -0.087 0.000 0.901 120 G HN 1.746 nan 8.290 nan 0.000 0.516 121 G N 1.193 110.020 108.800 0.045 0.000 2.291 121 G HA2 -0.192 3.337 3.960 -0.718 0.000 0.271 121 G HA3 -0.192 3.337 3.960 -0.718 0.000 0.271 121 G C 0.015 175.020 174.900 0.175 0.000 1.099 121 G CA 0.241 45.433 45.100 0.153 0.000 0.919 121 G HN 0.892 nan 8.290 nan 0.000 0.496 122 Q N -0.022 119.869 119.800 0.152 0.000 2.303 122 Q HA 0.584 4.493 4.340 -0.718 0.000 0.267 122 Q C -0.300 175.761 176.000 0.101 0.000 1.011 122 Q CA -0.107 55.779 55.803 0.137 0.000 0.740 122 Q CB 2.119 30.935 28.738 0.129 0.000 1.250 122 Q HN 0.819 nan 8.270 nan 0.000 0.458 123 S N 1.717 117.470 115.700 0.088 0.000 2.541 123 S HA 0.573 4.613 4.470 -0.718 0.000 0.280 123 S C -0.807 173.698 174.600 -0.159 0.000 1.112 123 S CA -1.056 57.130 58.200 -0.023 0.000 0.925 123 S CB 1.873 65.068 63.200 -0.009 0.000 1.067 123 S HN 0.396 nan 8.310 nan 0.000 0.479 124 K N 1.699 121.887 120.400 -0.354 0.000 2.185 124 K HA 0.364 4.254 4.320 -0.718 0.000 0.271 124 K C -0.326 175.517 176.600 -1.261 0.000 1.013 124 K CA -0.547 55.205 56.287 -0.892 0.000 0.943 124 K CB -0.007 32.034 32.500 -0.765 0.000 0.998 124 K HN 0.810 nan 8.250 nan 0.000 0.468 125 N N 1.174 118.378 118.700 -2.492 0.000 2.738 125 N HA -0.205 4.104 4.740 -0.718 0.000 0.249 125 N C -1.247 173.883 175.510 -0.634 0.000 1.047 125 N CA 0.613 52.839 53.050 -1.372 0.000 0.707 125 N CB -1.722 36.385 38.487 -0.633 0.000 0.937 125 N HN 0.641 nan 8.380 nan 0.000 0.545 126 F N -1.932 117.568 119.950 -0.751 0.000 2.807 126 F HA -0.152 3.944 4.527 -0.719 0.000 0.297 126 F C 1.487 176.686 175.800 -1.002 0.000 1.024 126 F CA 1.054 58.460 58.000 -0.991 0.000 1.008 126 F CB -1.735 36.843 39.000 -0.703 0.000 1.142 126 F HN 0.531 nan 8.300 nan 0.000 0.829 127 G N -1.253 107.294 108.800 -0.422 0.000 2.163 127 G HA2 0.081 3.610 3.960 -0.718 0.000 0.213 127 G HA3 0.081 3.610 3.960 -0.718 0.000 0.213 127 G C 0.800 175.630 174.900 -0.117 0.000 0.991 127 G CA -0.099 44.944 45.100 -0.096 0.000 0.653 127 G HN 1.320 nan 8.290 nan 0.000 0.518 128 G N -0.381 108.287 108.800 -0.220 0.000 2.873 128 G HA2 0.496 4.025 3.960 -0.718 0.000 0.170 128 G HA3 0.496 4.025 3.960 -0.718 0.000 0.170 128 G C 0.252 175.054 174.900 -0.163 0.000 1.608 128 G CA 0.372 45.353 45.100 -0.199 0.000 1.084 128 G HN 0.527 nan 8.290 nan 0.000 0.563 129 E N -0.272 119.815 120.200 -0.188 0.000 2.422 129 E HA 0.118 4.037 4.350 -0.718 0.000 0.260 129 E C 0.120 176.635 176.600 -0.141 0.000 1.108 129 E CA -0.217 56.095 56.400 -0.148 0.000 0.943 129 E CB 0.480 30.083 29.700 -0.162 0.000 0.961 129 E HN 0.311 nan 8.360 nan 0.000 0.443 130 Q N 1.550 121.295 119.800 -0.093 0.000 2.274 130 Q HA 0.200 4.109 4.340 -0.718 0.000 0.280 130 Q C -1.279 174.664 176.000 -0.094 0.000 1.047 130 Q CA 0.159 55.928 55.803 -0.056 0.000 0.907 130 Q CB 0.991 29.715 28.738 -0.023 0.000 1.171 130 Q HN 0.469 nan 8.270 nan 0.000 0.381 131 A N 3.335 126.137 122.820 -0.030 0.000 2.256 131 A HA 0.848 4.737 4.320 -0.718 0.000 0.318 131 A C -0.832 176.848 177.584 0.161 0.000 1.103 131 A CA -0.221 51.840 52.037 0.041 0.000 0.860 131 A CB 1.140 20.246 19.000 0.176 0.000 1.182 131 A HN 1.002 nan 8.150 nan 0.000 0.501 132 A N 0.737 123.784 122.820 0.378 0.000 2.702 132 A HA 0.568 4.457 4.320 -0.718 0.000 0.305 132 A C 0.144 177.749 177.584 0.034 0.000 1.213 132 A CA -0.478 51.657 52.037 0.163 0.000 0.745 132 A CB 0.110 19.185 19.000 0.124 0.000 1.161 132 A HN 1.021 nan 8.150 nan 0.000 0.445 133 R N 0.360 120.838 120.500 -0.037 0.000 2.629 133 R HA 0.243 4.152 4.340 -0.718 0.000 0.408 133 R C -0.819 175.344 176.300 -0.228 0.000 1.057 133 R CA -0.094 55.907 56.100 -0.164 0.000 1.119 133 R CB 0.240 30.445 30.300 -0.159 0.000 1.403 133 R HN 0.285 nan 8.270 nan 0.000 0.576 134 T N 1.605 116.017 114.554 -0.237 0.000 2.738 134 T HA 0.514 4.433 4.350 -0.718 0.000 0.298 134 T C -0.102 174.428 174.700 -0.284 0.000 0.962 134 T CA -0.298 61.605 62.100 -0.327 0.000 0.972 134 T CB 1.300 69.825 68.868 -0.573 0.000 0.928 134 T HN 0.398 nan 8.240 nan 0.000 0.474 135 A N 3.159 125.839 122.820 -0.233 0.000 2.363 135 A HA 0.818 4.708 4.320 -0.718 0.000 0.270 135 A C 0.250 177.861 177.584 0.045 0.000 1.121 135 A CA -0.541 51.382 52.037 -0.190 0.000 0.800 135 A CB 0.252 19.039 19.000 -0.355 0.000 1.052 135 A HN 1.039 nan 8.150 nan 0.000 0.493 136 A N 0.876 123.827 122.820 0.218 0.000 2.587 136 A HA 0.796 4.685 4.320 -0.718 0.000 0.293 136 A C -0.401 177.430 177.584 0.412 0.000 1.087 136 A CA 0.018 52.251 52.037 0.327 0.000 0.692 136 A CB 1.202 20.347 19.000 0.242 0.000 1.291 136 A HN 2.278 nan 8.150 nan 0.000 0.407 137 A N 1.102 124.067 122.820 0.241 0.000 2.394 137 A HA 0.776 4.665 4.320 -0.718 0.000 0.333 137 A C 0.902 178.543 177.584 0.095 0.000 1.397 137 A CA 0.766 52.887 52.037 0.140 0.000 0.884 137 A CB -0.778 18.238 19.000 0.028 0.000 1.147 137 A HN 2.837 nan 8.150 nan 0.000 0.505 138 A N 2.446 125.315 122.820 0.082 0.000 5.395 138 A HA -0.263 3.626 4.320 -0.718 0.000 0.324 138 A C 0.756 178.395 177.584 0.092 0.000 1.813 138 A CA 1.822 53.889 52.037 0.050 0.000 0.714 138 A CB -1.316 17.689 19.000 0.008 0.000 1.374 138 A HN 1.610 nan 8.150 nan 0.000 0.390 139 D N -0.495 119.942 120.400 0.062 0.000 2.891 139 D HA 0.372 4.581 4.640 -0.718 0.000 0.312 139 D C 0.390 176.719 176.300 0.050 0.000 1.354 139 D CA -0.087 53.959 54.000 0.077 0.000 0.838 139 D CB -0.211 40.633 40.800 0.074 0.000 1.117 139 D HN 0.592 nan 8.370 nan 0.000 0.473 140 R N -0.318 120.208 120.500 0.044 0.000 2.659 140 R HA 0.204 4.113 4.340 -0.718 0.000 0.418 140 R C 0.653 177.002 176.300 0.081 0.000 1.076 140 R CA -0.203 55.920 56.100 0.038 0.000 1.093 140 R CB 0.425 30.707 30.300 -0.030 0.000 1.400 140 R HN -0.014 nan 8.270 nan 0.000 0.583 141 T N 0.406 115.002 114.554 0.069 0.000 2.684 141 T HA -0.145 3.774 4.350 -0.718 0.000 0.267 141 T C 2.016 176.738 174.700 0.036 0.000 1.036 141 T CA 1.993 64.122 62.100 0.048 0.000 1.148 141 T CB -0.177 68.730 68.868 0.066 0.000 0.863 141 T HN 0.553 nan 8.240 nan 0.000 0.436 142 G N 0.611 109.440 108.800 0.048 0.000 2.476 142 G HA2 -0.337 3.192 3.960 -0.718 0.000 0.218 142 G HA3 -0.337 3.192 3.960 -0.718 0.000 0.218 142 G C 1.223 176.163 174.900 0.067 0.000 1.164 142 G CA 1.591 46.710 45.100 0.033 0.000 0.768 142 G HN 0.693 nan 8.290 nan 0.000 0.560 143 H N 1.058 120.141 119.070 0.022 0.000 2.289 143 H HA 0.004 4.129 4.556 -0.718 0.000 0.296 143 H C 2.732 178.120 175.328 0.100 0.000 1.091 143 H CA 2.439 58.541 56.048 0.091 0.000 1.274 143 H CB -0.332 29.465 29.762 0.059 0.000 1.364 143 H HN 0.304 nan 8.280 nan 0.000 0.490 144 A N 0.711 123.623 122.820 0.153 0.000 1.883 144 A HA -0.176 3.713 4.320 -0.718 0.000 0.217 144 A C 2.473 180.015 177.584 -0.071 0.000 1.186 144 A CA 1.817 53.865 52.037 0.019 0.000 0.624 144 A CB -1.087 17.886 19.000 -0.045 0.000 0.822 144 A HN 0.544 nan 8.150 nan 0.000 0.444 145 L N -0.971 120.206 121.223 -0.077 0.000 1.994 145 L HA -0.112 3.797 4.340 -0.718 0.000 0.208 145 L C 2.261 179.094 176.870 -0.061 0.000 1.071 145 L CA 2.185 56.975 54.840 -0.084 0.000 0.745 145 L CB -0.631 41.395 42.059 -0.056 0.000 0.892 145 L HN 0.311 nan 8.230 nan 0.000 0.431 146 L N -0.647 120.537 121.223 -0.066 0.000 2.017 146 L HA -0.231 3.678 4.340 -0.718 0.000 0.208 146 L C 2.652 179.442 176.870 -0.132 0.000 1.073 146 L CA 1.880 56.653 54.840 -0.112 0.000 0.745 146 L CB -1.003 40.958 42.059 -0.163 0.000 0.894 146 L HN 0.431 nan 8.230 nan 0.000 0.432 147 H N -1.475 117.503 119.070 -0.154 0.000 2.421 147 H HA -0.100 4.025 4.556 -0.718 0.000 0.298 147 H C 1.952 177.266 175.328 -0.024 0.000 1.087 147 H CA 1.781 57.769 56.048 -0.100 0.000 1.330 147 H CB -0.057 29.567 29.762 -0.230 0.000 1.388 147 H HN 0.398 nan 8.280 nan 0.000 0.526 148 T N 1.067 115.645 114.554 0.040 0.000 2.812 148 T HA -0.044 3.875 4.350 -0.718 0.000 0.264 148 T C 2.404 177.097 174.700 -0.010 0.000 1.042 148 T CA 0.484 62.585 62.100 0.002 0.000 1.140 148 T CB -0.163 68.678 68.868 -0.045 0.000 0.870 148 T HN 0.194 nan 8.240 nan 0.000 0.445 149 L N -0.289 120.923 121.223 -0.018 0.000 2.141 149 L HA -0.061 3.849 4.340 -0.718 0.000 0.209 149 L C 2.354 179.212 176.870 -0.020 0.000 1.094 149 L CA 1.242 56.065 54.840 -0.028 0.000 0.763 149 L CB -0.541 41.499 42.059 -0.031 0.000 0.908 149 L HN 0.252 nan 8.230 nan 0.000 0.437 150 Y N 1.248 121.467 120.300 -0.134 0.000 2.114 150 Y HA -0.302 3.817 4.550 -0.718 0.000 0.284 150 Y C 2.712 178.555 175.900 -0.094 0.000 1.143 150 Y CA 1.646 59.655 58.100 -0.152 0.000 1.135 150 Y CB -0.439 37.891 38.460 -0.217 0.000 0.980 150 Y HN 0.164 nan 8.280 nan 0.000 0.499 151 Q N -0.517 119.217 119.800 -0.110 0.000 2.133 151 Q HA -0.281 3.628 4.340 -0.718 0.000 0.208 151 Q C 2.124 178.005 176.000 -0.198 0.000 0.991 151 Q CA 1.822 57.530 55.803 -0.158 0.000 0.867 151 Q CB -0.248 28.472 28.738 -0.029 0.000 0.911 151 Q HN 0.531 nan 8.270 nan 0.000 0.417 152 Q N 0.061 119.774 119.800 -0.145 0.000 2.172 152 Q HA -0.039 3.870 4.340 -0.718 0.000 0.200 152 Q C 1.575 177.469 176.000 -0.175 0.000 0.964 152 Q CA 0.753 56.476 55.803 -0.133 0.000 0.855 152 Q CB -0.149 28.539 28.738 -0.083 0.000 0.918 152 Q HN 0.448 nan 8.270 nan 0.000 0.444 153 N N 0.292 118.862 118.700 -0.216 0.000 2.331 153 N HA -0.016 4.294 4.740 -0.718 0.000 0.180 153 N C 1.882 177.210 175.510 -0.302 0.000 1.019 153 N CA 0.427 53.341 53.050 -0.227 0.000 0.881 153 N CB 0.192 38.561 38.487 -0.197 0.000 0.972 153 N HN 0.237 nan 8.380 nan 0.000 0.435 154 L N 1.223 122.197 121.223 -0.414 0.000 2.007 154 L HA -0.120 3.790 4.340 -0.718 0.000 0.205 154 L C 2.548 179.193 176.870 -0.375 0.000 1.073 154 L CA 1.049 55.662 54.840 -0.379 0.000 0.744 154 L CB -0.501 41.324 42.059 -0.390 0.000 0.898 154 L HN 0.078 nan 8.230 nan 0.000 0.435 155 K N 0.439 120.648 120.400 -0.318 0.000 2.107 155 K HA -0.287 3.602 4.320 -0.718 0.000 0.211 155 K C 1.765 178.093 176.600 -0.454 0.000 1.049 155 K CA 2.039 58.128 56.287 -0.330 0.000 0.927 155 K CB -0.203 32.179 32.500 -0.196 0.000 0.714 155 K HN 0.298 nan 8.250 nan 0.000 0.452 156 N N -0.417 118.089 118.700 -0.323 0.000 2.336 156 N HA -0.102 4.207 4.740 -0.718 0.000 0.189 156 N C -0.679 174.757 175.510 -0.123 0.000 1.113 156 N CA 0.285 53.211 53.050 -0.207 0.000 0.858 156 N CB 0.186 38.602 38.487 -0.118 0.000 0.970 156 N HN 0.294 nan 8.380 nan 0.000 0.471 157 H N -0.451 118.574 119.070 -0.076 0.000 2.791 157 H HA -0.122 4.004 4.556 -0.718 0.000 0.302 157 H C -0.422 174.870 175.328 -0.060 0.000 1.198 157 H CA 0.926 56.936 56.048 -0.064 0.000 1.145 157 H CB -2.423 27.313 29.762 -0.042 0.000 1.385 157 H HN 0.169 nan 8.280 nan 0.000 0.409 158 T N 1.325 115.877 114.554 -0.004 0.000 2.940 158 T HA 0.121 4.040 4.350 -0.718 0.000 0.309 158 T C 0.972 175.659 174.700 -0.023 0.000 1.056 158 T CA 0.271 62.360 62.100 -0.019 0.000 1.137 158 T CB 0.752 69.582 68.868 -0.062 0.000 0.976 158 T HN 0.228 nan 8.240 nan 0.000 0.547 159 T N 4.422 118.964 114.554 -0.020 0.000 2.738 159 T HA 0.326 4.245 4.350 -0.718 0.000 0.293 159 T C 0.293 174.917 174.700 -0.127 0.000 0.913 159 T CA -0.075 61.982 62.100 -0.072 0.000 1.103 159 T CB -0.404 68.467 68.868 0.006 0.000 0.880 159 T HN 0.357 nan 8.240 nan 0.000 0.526 160 I N 3.649 124.119 120.570 -0.166 0.000 2.382 160 I HA 0.324 4.064 4.170 -0.718 0.000 0.286 160 I C -0.499 175.513 176.117 -0.176 0.000 1.002 160 I CA -0.771 60.467 61.300 -0.103 0.000 1.135 160 I CB 1.192 39.181 38.000 -0.019 0.000 1.288 160 I HN 0.547 nan 8.210 nan 0.000 0.448 161 F N 4.846 124.740 119.950 -0.093 0.000 2.499 161 F HA 0.187 4.283 4.527 -0.718 0.000 0.353 161 F C 1.185 177.082 175.800 0.162 0.000 1.196 161 F CA -0.063 57.895 58.000 -0.070 0.000 1.244 161 F CB 0.637 39.329 39.000 -0.512 0.000 1.577 161 F HN 0.384 nan 8.300 nan 0.000 0.614 162 S N 2.115 118.023 115.700 0.345 0.000 2.564 162 S HA 0.133 4.172 4.470 -0.718 0.000 0.278 162 S C 0.538 175.408 174.600 0.450 0.000 1.333 162 S CA -0.154 58.251 58.200 0.341 0.000 1.048 162 S CB 0.218 63.610 63.200 0.320 0.000 0.900 162 S HN 0.744 nan 8.310 nan 0.000 0.505 163 E N 1.535 121.935 120.200 0.333 0.000 2.320 163 E HA -0.189 3.730 4.350 -0.718 0.000 0.234 163 E C -1.622 175.074 176.600 0.159 0.000 1.183 163 E CA 0.594 57.131 56.400 0.228 0.000 0.713 163 E CB -1.142 28.677 29.700 0.200 0.000 1.226 163 E HN 0.589 nan 8.360 nan 0.000 0.382 164 W N 0.549 121.910 121.300 0.102 0.000 2.520 164 W HA 0.451 4.680 4.660 -0.718 0.000 0.323 164 W C -0.024 176.529 176.519 0.055 0.000 1.062 164 W CA -0.585 56.812 57.345 0.088 0.000 1.215 164 W CB 0.701 30.203 29.460 0.071 0.000 1.340 164 W HN 0.170 nan 8.180 nan 0.000 0.516 165 Y N 3.130 123.498 120.300 0.113 0.000 2.353 165 Y HA 0.637 4.756 4.550 -0.719 0.000 0.340 165 Y C 0.190 176.131 175.900 0.068 0.000 0.972 165 Y CA -1.095 57.030 58.100 0.042 0.000 1.157 165 Y CB 0.558 38.994 38.460 -0.041 0.000 1.157 165 Y HN 0.517 nan 8.280 nan 0.000 0.495 166 A N 7.185 129.746 122.820 -0.432 0.000 2.454 166 A HA 0.287 4.176 4.320 -0.718 0.000 0.260 166 A C 0.210 177.634 177.584 -0.265 0.000 1.106 166 A CA -0.249 51.632 52.037 -0.259 0.000 0.780 166 A CB 0.147 18.990 19.000 -0.262 0.000 1.044 166 A HN 1.095 nan 8.150 nan 0.000 0.498 167 L N 1.497 122.740 121.223 0.034 0.000 2.062 167 L HA 0.217 4.126 4.340 -0.718 0.000 0.202 167 L C 0.404 177.317 176.870 0.071 0.000 1.079 167 L CA 0.749 55.671 54.840 0.137 0.000 0.755 167 L CB -0.048 42.117 42.059 0.176 0.000 0.913 167 L HN 0.604 nan 8.230 nan 0.000 0.445 168 D N -1.581 118.854 120.400 0.059 0.000 2.654 168 D HA 0.376 4.585 4.640 -0.718 0.000 0.231 168 D C -1.059 175.266 176.300 0.042 0.000 1.239 168 D CA -0.515 53.511 54.000 0.043 0.000 0.790 168 D CB 2.489 43.321 40.800 0.053 0.000 1.480 168 D HN -0.139 nan 8.370 nan 0.000 0.442 169 L N 0.600 121.841 121.223 0.030 0.000 2.473 169 L HA 0.294 4.203 4.340 -0.718 0.000 0.268 169 L C 0.116 177.006 176.870 0.032 0.000 1.215 169 L CA -0.392 54.471 54.840 0.039 0.000 0.823 169 L CB 0.496 42.571 42.059 0.027 0.000 1.099 169 L HN 0.030 nan 8.230 nan 0.000 0.483 170 V N 2.166 122.107 119.914 0.046 0.000 2.417 170 V HA 0.331 4.020 4.120 -0.718 0.000 0.291 170 V C -0.119 175.981 176.094 0.010 0.000 1.024 170 V CA -0.811 61.484 62.300 -0.008 0.000 0.861 170 V CB 1.510 33.282 31.823 -0.084 0.000 0.985 170 V HN 0.649 nan 8.190 nan 0.000 0.436 171 K N 3.857 124.250 120.400 -0.012 0.000 2.182 171 K HA 0.469 4.358 4.320 -0.718 0.000 0.262 171 K C -0.192 176.403 176.600 -0.008 0.000 0.957 171 K CA -0.763 55.523 56.287 -0.001 0.000 0.842 171 K CB 1.512 34.008 32.500 -0.006 0.000 1.099 171 K HN 0.812 nan 8.250 nan 0.000 0.438 172 N N 1.095 119.799 118.700 0.007 0.000 2.379 172 N HA -0.079 4.230 4.740 -0.718 0.000 0.260 172 N C 0.666 176.174 175.510 -0.002 0.000 1.254 172 N CA -0.231 52.822 53.050 0.005 0.000 0.958 172 N CB 0.399 38.899 38.487 0.022 0.000 1.208 172 N HN 0.647 nan 8.380 nan 0.000 0.532 173 Q N -1.506 118.292 119.800 -0.003 0.000 2.364 173 Q HA -0.084 3.826 4.340 -0.718 0.000 0.209 173 Q C -0.260 175.737 176.000 -0.005 0.000 0.977 173 Q CA 1.379 57.178 55.803 -0.006 0.000 0.885 173 Q CB -0.223 28.512 28.738 -0.005 0.000 0.941 173 Q HN 0.522 nan 8.270 nan 0.000 0.464 174 D N 0.411 120.810 120.400 -0.002 0.000 2.349 174 D HA 0.065 4.274 4.640 -0.718 0.000 0.224 174 D C 0.963 177.259 176.300 -0.007 0.000 1.029 174 D CA 0.960 54.958 54.000 -0.003 0.000 0.879 174 D CB 0.458 41.259 40.800 0.000 0.000 0.906 174 D HN 0.557 nan 8.370 nan 0.000 0.528 175 G N 0.676 109.471 108.800 -0.007 0.000 2.162 175 G HA2 -0.242 3.287 3.960 -0.718 0.000 0.260 175 G HA3 -0.242 3.287 3.960 -0.718 0.000 0.260 175 G C 0.513 175.408 174.900 -0.010 0.000 0.976 175 G CA 0.281 45.374 45.100 -0.011 0.000 0.655 175 G HN 0.612 nan 8.290 nan 0.000 0.533 176 A N -0.324 122.495 122.820 -0.001 0.000 2.316 176 A HA 0.742 4.631 4.320 -0.718 0.000 0.284 176 A C 0.582 178.178 177.584 0.020 0.000 1.115 176 A CA -0.011 52.029 52.037 0.004 0.000 0.812 176 A CB 1.274 20.282 19.000 0.012 0.000 1.064 176 A HN 1.089 nan 8.150 nan 0.000 0.489 177 V N 2.528 122.457 119.914 0.024 0.000 2.508 177 V HA 0.245 3.934 4.120 -0.718 0.000 0.281 177 V C 0.769 176.914 176.094 0.085 0.000 1.041 177 V CA 0.581 62.910 62.300 0.048 0.000 1.016 177 V CB 1.201 33.049 31.823 0.043 0.000 0.984 177 V HN 0.990 nan 8.190 nan 0.000 0.478 178 V N 2.184 122.167 119.914 0.115 0.000 2.909 178 V HA 0.875 4.564 4.120 -0.718 0.000 0.362 178 V C 0.451 176.694 176.094 0.248 0.000 1.356 178 V CA 0.334 62.732 62.300 0.163 0.000 1.195 178 V CB -0.441 31.483 31.823 0.167 0.000 1.256 178 V HN 1.335 nan 8.190 nan 0.000 0.567 179 G N -0.251 108.678 108.800 0.215 0.000 2.331 179 G HA2 0.248 3.777 3.960 -0.718 0.000 0.479 179 G HA3 0.248 3.777 3.960 -0.718 0.000 0.479 179 G C -0.546 174.509 174.900 0.258 0.000 1.262 179 G CA 0.209 45.462 45.100 0.255 0.000 1.029 179 G HN 1.924 nan 8.290 nan 0.000 0.487 180 C N -1.672 117.812 119.300 0.307 0.000 3.239 180 C HA 0.970 4.999 4.460 -0.718 0.000 0.317 180 C C 0.398 175.588 174.990 0.333 0.000 1.310 180 C CA 0.332 59.483 59.018 0.222 0.000 1.371 180 C CB 1.153 28.947 27.740 0.090 0.000 1.714 180 C HN 2.159 nan 8.230 nan 0.000 0.473 181 T N 0.218 114.913 114.554 0.235 0.000 2.922 181 T HA 0.812 4.731 4.350 -0.718 0.000 0.285 181 T C -0.154 174.702 174.700 0.260 0.000 1.005 181 T CA 0.228 62.491 62.100 0.271 0.000 1.061 181 T CB 1.429 70.398 68.868 0.168 0.000 1.007 181 T HN 2.386 nan 8.240 nan 0.000 0.502 182 A N 1.932 124.969 122.820 0.361 0.000 2.549 182 A HA 0.672 4.561 4.320 -0.718 0.000 0.297 182 A C -1.232 176.619 177.584 0.446 0.000 1.061 182 A CA -0.975 51.284 52.037 0.370 0.000 0.690 182 A CB 1.587 20.807 19.000 0.367 0.000 1.287 182 A HN 1.078 nan 8.150 nan 0.000 0.402 183 L N 2.422 123.841 121.223 0.326 0.000 2.272 183 L HA 0.621 4.530 4.340 -0.718 0.000 0.289 183 L C 0.011 176.846 176.870 -0.059 0.000 1.032 183 L CA -0.369 54.559 54.840 0.146 0.000 0.810 183 L CB 0.987 43.097 42.059 0.084 0.000 1.205 183 L HN 0.873 nan 8.230 nan 0.000 0.422 184 C N 6.393 125.393 119.300 -0.501 0.000 2.624 184 C HA 0.242 4.272 4.460 -0.718 0.000 0.397 184 C C 1.805 176.445 174.990 -0.584 0.000 1.331 184 C CA -0.414 57.902 59.018 -1.170 0.000 1.716 184 C CB -1.353 25.398 27.740 -1.649 0.000 2.452 184 C HN 0.992 nan 8.230 nan 0.000 0.586 185 I N 3.557 123.832 120.570 -0.492 0.000 2.202 185 I HA -0.124 3.615 4.170 -0.718 0.000 0.242 185 I C 2.542 178.412 176.117 -0.411 0.000 1.091 185 I CA 1.583 62.597 61.300 -0.477 0.000 1.368 185 I CB -0.488 37.146 38.000 -0.610 0.000 1.058 185 I HN 0.839 nan 8.210 nan 0.000 0.410 186 E N 0.787 120.862 120.200 -0.209 0.000 2.038 186 E HA -0.285 3.634 4.350 -0.718 0.000 0.195 186 E C 2.058 178.660 176.600 0.003 0.000 1.000 186 E CA 2.420 58.872 56.400 0.087 0.000 0.803 186 E CB 0.048 29.832 29.700 0.141 0.000 0.750 186 E HN 0.568 nan 8.360 nan 0.000 0.448 187 T N -4.514 109.982 114.554 -0.097 0.000 3.015 187 T HA 0.323 4.242 4.350 -0.718 0.000 0.250 187 T C 1.431 176.084 174.700 -0.080 0.000 1.057 187 T CA 0.805 62.870 62.100 -0.058 0.000 1.066 187 T CB 0.870 69.718 68.868 -0.034 0.000 0.959 187 T HN 0.379 nan 8.240 nan 0.000 0.488 188 G N 1.212 109.924 108.800 -0.147 0.000 2.195 188 G HA2 -0.250 3.279 3.960 -0.718 0.000 0.246 188 G HA3 -0.250 3.279 3.960 -0.718 0.000 0.246 188 G C -0.112 174.736 174.900 -0.087 0.000 0.984 188 G CA 0.194 45.225 45.100 -0.116 0.000 0.633 188 G HN 0.821 nan 8.290 nan 0.000 0.525 189 E N 0.271 120.417 120.200 -0.091 0.000 2.437 189 E HA 0.369 4.288 4.350 -0.718 0.000 0.263 189 E C -0.213 176.398 176.600 0.018 0.000 1.030 189 E CA 0.068 56.460 56.400 -0.014 0.000 0.934 189 E CB 0.669 30.392 29.700 0.038 0.000 0.943 189 E HN 0.170 nan 8.360 nan 0.000 0.444 190 V N 4.852 124.826 119.914 0.099 0.000 2.495 190 V HA 0.372 4.061 4.120 -0.718 0.000 0.298 190 V C -0.357 175.864 176.094 0.211 0.000 1.031 190 V CA -0.624 61.776 62.300 0.167 0.000 0.871 190 V CB 1.840 33.734 31.823 0.119 0.000 0.988 190 V HN 0.464 nan 8.190 nan 0.000 0.432 191 V N 4.107 124.202 119.914 0.302 0.000 2.962 191 V HA 0.437 4.127 4.120 -0.718 0.000 0.313 191 V C -1.336 174.863 176.094 0.175 0.000 1.099 191 V CA -0.927 61.472 62.300 0.164 0.000 0.971 191 V CB 2.373 34.202 31.823 0.010 0.000 1.028 191 V HN 0.739 nan 8.190 nan 0.000 0.430 192 Y N 3.417 123.671 120.300 -0.077 0.000 2.404 192 Y HA 0.579 4.698 4.550 -0.718 0.000 0.344 192 Y C -0.846 174.956 175.900 -0.163 0.000 0.970 192 Y CA -1.981 56.101 58.100 -0.031 0.000 1.180 192 Y CB 0.607 39.058 38.460 -0.015 0.000 1.138 192 Y HN 0.459 nan 8.280 nan 0.000 0.510 193 F N 6.384 126.295 119.950 -0.066 0.000 2.413 193 F HA 0.307 4.404 4.527 -0.717 0.000 0.359 193 F C 0.482 176.032 175.800 -0.416 0.000 1.122 193 F CA -0.285 57.567 58.000 -0.246 0.000 1.160 193 F CB 0.717 39.595 39.000 -0.202 0.000 1.146 193 F HN 0.363 nan 8.300 nan 0.000 0.514 194 K N 3.495 123.597 120.400 -0.496 0.000 2.211 194 K HA 0.821 4.711 4.320 -0.718 0.000 0.275 194 K C -1.083 175.468 176.600 -0.081 0.000 1.024 194 K CA -0.385 55.596 56.287 -0.509 0.000 0.887 194 K CB 0.998 33.099 32.500 -0.664 0.000 1.084 194 K HN 0.734 nan 8.250 nan 0.000 0.463 195 A N 3.826 126.659 122.820 0.023 0.000 2.587 195 A HA 0.427 4.316 4.320 -0.718 0.000 0.293 195 A C -0.367 177.265 177.584 0.080 0.000 1.087 195 A CA -0.835 51.246 52.037 0.072 0.000 0.692 195 A CB 1.591 20.643 19.000 0.086 0.000 1.291 195 A HN 0.892 nan 8.150 nan 0.000 0.407 196 R N -0.154 120.390 120.500 0.074 0.000 2.280 196 R HA 0.451 4.360 4.340 -0.718 0.000 0.195 196 R C 0.346 176.724 176.300 0.130 0.000 0.935 196 R CA 1.182 57.334 56.100 0.088 0.000 1.033 196 R CB 0.671 31.011 30.300 0.066 0.000 0.964 196 R HN 0.814 nan 8.270 nan 0.000 0.489 197 A N 0.298 123.177 122.820 0.098 0.000 2.402 197 A HA 0.497 4.387 4.320 -0.718 0.000 0.291 197 A C -0.944 176.684 177.584 0.074 0.000 1.051 197 A CA -0.583 51.523 52.037 0.115 0.000 0.716 197 A CB 1.444 20.339 19.000 -0.175 0.000 1.223 197 A HN 0.005 nan 8.150 nan 0.000 0.425 198 T N 2.263 116.928 114.554 0.186 0.000 2.788 198 T HA 0.479 4.398 4.350 -0.718 0.000 0.296 198 T C -0.477 174.309 174.700 0.142 0.000 1.009 198 T CA -0.273 61.891 62.100 0.106 0.000 0.949 198 T CB 0.981 69.910 68.868 0.101 0.000 0.946 198 T HN 0.450 nan 8.240 nan 0.000 0.453 199 V N 5.566 125.500 119.914 0.033 0.000 2.311 199 V HA 0.331 4.020 4.120 -0.718 0.000 0.275 199 V C 0.200 176.299 176.094 0.008 0.000 1.022 199 V CA -0.790 61.537 62.300 0.046 0.000 0.830 199 V CB 0.828 32.620 31.823 -0.051 0.000 1.012 199 V HN 0.782 nan 8.190 nan 0.000 0.452 200 L N 4.452 125.693 121.223 0.031 0.000 2.360 200 L HA 0.581 4.490 4.340 -0.718 0.000 0.276 200 L C 0.648 177.511 176.870 -0.012 0.000 1.121 200 L CA 0.146 54.980 54.840 -0.010 0.000 0.845 200 L CB 1.100 43.154 42.059 -0.009 0.000 1.143 200 L HN 0.775 nan 8.230 nan 0.000 0.452 201 A N 1.214 124.014 122.820 -0.034 0.000 3.448 201 A HA 0.265 4.154 4.320 -0.718 0.000 0.232 201 A C 0.514 178.077 177.584 -0.036 0.000 1.018 201 A CA -0.132 51.890 52.037 -0.025 0.000 0.996 201 A CB -0.012 18.974 19.000 -0.023 0.000 1.283 201 A HN 0.724 nan 8.150 nan 0.000 0.586 202 T N -2.945 111.583 114.554 -0.044 0.000 3.069 202 T HA 0.485 4.404 4.350 -0.718 0.000 0.252 202 T C 1.250 175.927 174.700 -0.038 0.000 1.053 202 T CA 1.025 63.095 62.100 -0.050 0.000 0.964 202 T CB -0.019 68.809 68.868 -0.067 0.000 1.005 202 T HN 2.180 nan 8.240 nan 0.000 0.532 203 G N 0.510 109.288 108.800 -0.038 0.000 2.645 203 G HA2 0.150 3.679 3.960 -0.718 0.000 0.239 203 G HA3 0.150 3.679 3.960 -0.718 0.000 0.239 203 G C 0.290 175.138 174.900 -0.088 0.000 1.331 203 G CA -0.439 44.635 45.100 -0.045 0.000 0.890 203 G HN 0.912 nan 8.290 nan 0.000 0.572 204 G N -2.058 106.676 108.800 -0.111 0.000 2.531 204 G HA2 0.706 4.235 3.960 -0.718 0.000 0.253 204 G HA3 0.706 4.235 3.960 -0.718 0.000 0.253 204 G C 0.695 175.580 174.900 -0.025 0.000 1.439 204 G CA 1.214 46.231 45.100 -0.139 0.000 1.056 204 G HN 2.245 nan 8.290 nan 0.000 0.555 205 A N -1.848 121.037 122.820 0.109 0.000 2.474 205 A HA 0.500 4.389 4.320 -0.718 0.000 0.249 205 A C 1.653 179.358 177.584 0.202 0.000 0.891 205 A CA 1.015 53.169 52.037 0.194 0.000 1.135 205 A CB -0.192 18.978 19.000 0.283 0.000 1.191 205 A HN 1.359 nan 8.150 nan 0.000 0.471 206 G N 0.478 109.377 108.800 0.165 0.000 2.532 206 G HA2 -0.239 3.290 3.960 -0.718 0.000 0.222 206 G HA3 -0.239 3.290 3.960 -0.718 0.000 0.222 206 G C 1.261 176.147 174.900 -0.022 0.000 1.102 206 G CA 0.738 45.865 45.100 0.046 0.000 0.742 206 G HN 0.364 nan 8.290 nan 0.000 0.577 207 R N 0.468 120.945 120.500 -0.039 0.000 2.346 207 R HA 0.061 3.971 4.340 -0.718 0.000 0.199 207 R C 2.258 178.506 176.300 -0.088 0.000 1.015 207 R CA 0.318 56.392 56.100 -0.042 0.000 1.058 207 R CB -0.555 29.734 30.300 -0.018 0.000 0.921 207 R HN 0.776 nan 8.270 nan 0.000 0.475 208 I N -3.522 116.934 120.570 -0.189 0.000 3.291 208 I HA 0.005 3.744 4.170 -0.718 0.000 0.279 208 I C 0.079 175.891 176.117 -0.508 0.000 1.294 208 I CA 0.404 61.491 61.300 -0.355 0.000 1.428 208 I CB -0.159 37.547 38.000 -0.490 0.000 1.070 208 I HN -0.220 nan 8.210 nan 0.000 0.478 209 Y N 0.756 120.923 120.300 -0.222 0.000 2.519 209 Y HA 0.327 4.449 4.550 -0.713 0.000 0.324 209 Y C 1.513 177.367 175.900 -0.077 0.000 1.214 209 Y CA -0.477 57.534 58.100 -0.149 0.000 1.260 209 Y CB 0.846 39.205 38.460 -0.168 0.000 1.311 209 Y HN -0.155 nan 8.280 nan 0.000 0.505 210 Q N 0.108 120.006 119.800 0.163 0.000 2.269 210 Q HA 0.034 3.943 4.340 -0.718 0.000 0.201 210 Q C -0.195 175.860 176.000 0.091 0.000 0.946 210 Q CA 0.604 56.461 55.803 0.089 0.000 0.877 210 Q CB 0.409 29.194 28.738 0.079 0.000 0.963 210 Q HN 0.465 nan 8.270 nan 0.000 0.472 211 S N -0.450 115.319 115.700 0.115 0.000 2.672 211 S HA 0.496 4.535 4.470 -0.718 0.000 0.291 211 S C -1.100 173.524 174.600 0.040 0.000 1.145 211 S CA -0.536 57.707 58.200 0.071 0.000 1.013 211 S CB 1.842 65.094 63.200 0.087 0.000 1.017 211 S HN 0.166 nan 8.310 nan 0.000 0.487 212 T N 1.209 115.761 114.554 -0.003 0.000 2.883 212 T HA 0.502 4.421 4.350 -0.718 0.000 0.301 212 T C 1.015 175.696 174.700 -0.032 0.000 1.158 212 T CA 0.115 62.195 62.100 -0.033 0.000 1.007 212 T CB 1.434 70.275 68.868 -0.044 0.000 1.186 212 T HN 0.751 nan 8.240 nan 0.000 0.499 213 T N 0.229 114.792 114.554 0.015 0.000 3.148 213 T HA 0.240 4.159 4.350 -0.718 0.000 0.253 213 T C 0.587 175.306 174.700 0.033 0.000 1.134 213 T CA -0.000 62.132 62.100 0.054 0.000 1.051 213 T CB -0.661 68.336 68.868 0.215 0.000 0.959 213 T HN 0.557 nan 8.240 nan 0.000 0.525 214 N N 1.297 119.936 118.700 -0.100 0.000 2.513 214 N HA 0.523 4.832 4.740 -0.718 0.000 0.274 214 N C 0.109 175.442 175.510 -0.294 0.000 1.189 214 N CA -0.641 52.199 53.050 -0.349 0.000 0.975 214 N CB 0.854 39.128 38.487 -0.355 0.000 1.157 214 N HN 0.382 nan 8.380 nan 0.000 0.465 215 A N 0.957 123.559 122.820 -0.363 0.000 2.448 215 A HA -0.044 3.845 4.320 -0.718 0.000 0.239 215 A C 0.976 178.476 177.584 -0.139 0.000 1.080 215 A CA -0.029 51.934 52.037 -0.124 0.000 0.779 215 A CB 0.072 19.116 19.000 0.073 0.000 1.026 215 A HN 0.795 nan 8.150 nan 0.000 0.499 216 H N 0.978 120.042 119.070 -0.010 0.000 2.489 216 H HA -0.145 3.981 4.556 -0.717 0.000 0.295 216 H C 1.648 176.968 175.328 -0.013 0.000 1.082 216 H CA 2.172 58.214 56.048 -0.011 0.000 1.295 216 H CB -0.105 29.661 29.762 0.007 0.000 1.380 216 H HN 0.729 nan 8.280 nan 0.000 0.548 217 I N -1.716 118.913 120.570 0.098 0.000 3.793 217 I HA 0.068 3.807 4.170 -0.718 0.000 0.315 217 I C -0.249 175.885 176.117 0.028 0.000 1.275 217 I CA 0.009 61.353 61.300 0.073 0.000 1.214 217 I CB -0.053 37.998 38.000 0.084 0.000 1.018 217 I HN -0.191 nan 8.210 nan 0.000 0.439 218 N N 2.753 121.436 118.700 -0.029 0.000 2.739 218 N HA 0.112 4.421 4.740 -0.718 0.000 0.266 218 N C 0.506 176.007 175.510 -0.014 0.000 1.168 218 N CA 0.304 53.321 53.050 -0.056 0.000 1.055 218 N CB 0.447 38.838 38.487 -0.160 0.000 1.393 218 N HN 0.375 nan 8.380 nan 0.000 0.514 219 T N -2.729 111.834 114.554 0.015 0.000 3.266 219 T HA 0.279 4.198 4.350 -0.718 0.000 0.278 219 T C 1.087 175.807 174.700 0.033 0.000 1.010 219 T CA -0.376 61.740 62.100 0.027 0.000 0.909 219 T CB -0.158 68.737 68.868 0.043 0.000 1.122 219 T HN 0.394 nan 8.240 nan 0.000 0.536 220 G N 2.214 111.030 108.800 0.028 0.000 2.390 220 G HA2 -0.274 3.255 3.960 -0.718 0.000 0.299 220 G HA3 -0.274 3.255 3.960 -0.718 0.000 0.299 220 G C 0.545 175.453 174.900 0.013 0.000 1.002 220 G CA 0.404 45.518 45.100 0.022 0.000 0.979 220 G HN 0.503 nan 8.290 nan 0.000 0.513 221 D N 0.010 120.413 120.400 0.005 0.000 2.182 221 D HA -0.093 4.116 4.640 -0.718 0.000 0.201 221 D C 2.438 178.720 176.300 -0.031 0.000 0.986 221 D CA 1.651 55.646 54.000 -0.008 0.000 0.847 221 D CB -0.571 40.193 40.800 -0.059 0.000 0.942 221 D HN 0.551 nan 8.370 nan 0.000 0.467 222 G N 0.416 109.192 108.800 -0.040 0.000 2.408 222 G HA2 -0.159 3.370 3.960 -0.718 0.000 0.217 222 G HA3 -0.159 3.370 3.960 -0.718 0.000 0.217 222 G C 1.864 176.751 174.900 -0.022 0.000 1.150 222 G CA 0.520 45.596 45.100 -0.041 0.000 0.776 222 G HN 0.233 nan 8.290 nan 0.000 0.542 223 V N 1.566 121.472 119.914 -0.014 0.000 2.307 223 V HA -0.037 3.652 4.120 -0.718 0.000 0.245 223 V C 3.164 179.270 176.094 0.020 0.000 1.045 223 V CA 1.939 64.238 62.300 -0.001 0.000 1.024 223 V CB -1.097 30.726 31.823 0.001 0.000 0.651 223 V HN 0.413 nan 8.190 nan 0.000 0.449 224 G N -0.451 108.364 108.800 0.025 0.000 2.491 224 G HA2 -0.346 3.183 3.960 -0.718 0.000 0.218 224 G HA3 -0.346 3.183 3.960 -0.718 0.000 0.218 224 G C 1.654 176.575 174.900 0.035 0.000 1.180 224 G CA 1.478 46.602 45.100 0.039 0.000 0.774 224 G HN 0.421 nan 8.290 nan 0.000 0.562 225 M N 0.646 120.258 119.600 0.019 0.000 2.159 225 M HA 0.001 4.051 4.480 -0.718 0.000 0.263 225 M C 2.991 179.299 176.300 0.014 0.000 1.063 225 M CA 1.358 56.667 55.300 0.014 0.000 1.110 225 M CB -0.136 32.459 32.600 -0.009 0.000 1.374 225 M HN 0.350 nan 8.290 nan 0.000 0.411 226 A N 0.367 123.193 122.820 0.011 0.000 1.873 226 A HA -0.106 3.783 4.320 -0.718 0.000 0.215 226 A C 2.042 179.641 177.584 0.025 0.000 1.186 226 A CA 1.294 53.337 52.037 0.010 0.000 0.616 226 A CB -0.773 18.229 19.000 0.002 0.000 0.823 226 A HN 0.420 nan 8.150 nan 0.000 0.442 227 I N -0.777 119.823 120.570 0.049 0.000 2.163 227 I HA -0.275 3.464 4.170 -0.718 0.000 0.243 227 I C 2.718 178.865 176.117 0.050 0.000 1.085 227 I CA 1.417 62.766 61.300 0.081 0.000 1.347 227 I CB -0.269 37.813 38.000 0.137 0.000 1.044 227 I HN 0.271 nan 8.210 nan 0.000 0.408 228 R N 0.397 120.921 120.500 0.040 0.000 2.193 228 R HA -0.086 3.823 4.340 -0.718 0.000 0.229 228 R C 1.903 178.211 176.300 0.013 0.000 1.110 228 R CA 1.186 57.302 56.100 0.026 0.000 0.988 228 R CB -0.241 30.077 30.300 0.030 0.000 0.871 228 R HN 0.353 nan 8.270 nan 0.000 0.458 229 A N -0.214 122.613 122.820 0.011 0.000 2.275 229 A HA 0.264 4.153 4.320 -0.718 0.000 0.212 229 A C 1.170 178.749 177.584 -0.008 0.000 1.201 229 A CA 0.575 52.613 52.037 0.001 0.000 0.843 229 A CB 0.197 19.199 19.000 0.002 0.000 0.873 229 A HN 0.383 nan 8.150 nan 0.000 0.492 230 G N -1.237 107.559 108.800 -0.008 0.000 2.149 230 G HA2 -0.158 3.372 3.960 -0.718 0.000 0.235 230 G HA3 -0.158 3.372 3.960 -0.718 0.000 0.235 230 G C -0.034 174.849 174.900 -0.028 0.000 1.018 230 G CA 0.140 45.226 45.100 -0.023 0.000 0.728 230 G HN 0.778 nan 8.290 nan 0.000 0.508 231 V N 2.506 122.410 119.914 -0.016 0.000 2.398 231 V HA 0.529 4.218 4.120 -0.718 0.000 0.286 231 V C -1.308 174.782 176.094 -0.006 0.000 1.026 231 V CA -1.594 60.693 62.300 -0.021 0.000 0.868 231 V CB 1.866 33.675 31.823 -0.023 0.000 0.982 231 V HN 0.232 nan 8.190 nan 0.000 0.443 232 P HA 0.219 nan 4.420 nan 0.000 0.272 232 P C -0.615 176.701 177.300 0.026 0.000 1.223 232 P CA 0.113 63.214 63.100 0.002 0.000 0.784 232 P CB 1.300 32.981 31.700 -0.031 0.000 0.923 233 V N -0.600 119.365 119.914 0.084 0.000 2.881 233 V HA 0.675 4.364 4.120 -0.718 0.000 0.316 233 V C -0.480 175.635 176.094 0.036 0.000 1.070 233 V CA -0.932 61.394 62.300 0.043 0.000 0.976 233 V CB 1.522 33.371 31.823 0.044 0.000 1.038 233 V HN 0.635 nan 8.190 nan 0.000 0.446 234 Q N 0.337 120.126 119.800 -0.018 0.000 2.372 234 Q HA 0.397 4.306 4.340 -0.718 0.000 0.273 234 Q C -0.995 174.991 176.000 -0.023 0.000 1.078 234 Q CA -0.410 55.382 55.803 -0.019 0.000 0.806 234 Q CB 1.817 30.503 28.738 -0.085 0.000 1.332 234 Q HN 0.957 nan 8.270 nan 0.000 0.435 235 D N 3.273 123.697 120.400 0.040 0.000 2.751 235 D HA -0.203 4.006 4.640 -0.718 0.000 0.233 235 D C 0.672 176.950 176.300 -0.037 0.000 1.149 235 D CA 0.770 54.797 54.000 0.044 0.000 0.682 235 D CB -0.225 40.622 40.800 0.078 0.000 1.068 235 D HN 0.673 nan 8.370 nan 0.000 0.429 236 M N -0.302 119.272 119.600 -0.043 0.000 2.460 236 M HA -0.130 3.919 4.480 -0.718 0.000 0.263 236 M C 2.099 178.394 176.300 -0.010 0.000 1.071 236 M CA 1.228 56.480 55.300 -0.079 0.000 1.096 236 M CB -0.411 32.153 32.600 -0.061 0.000 1.408 236 M HN 0.301 nan 8.290 nan 0.000 0.463 237 E N -0.397 119.804 120.200 0.002 0.000 2.418 237 E HA -0.093 3.827 4.350 -0.718 0.000 0.197 237 E C 0.180 176.873 176.600 0.154 0.000 1.026 237 E CA 0.445 56.883 56.400 0.064 0.000 0.862 237 E CB -0.184 29.404 29.700 -0.187 0.000 0.799 237 E HN 0.296 nan 8.360 nan 0.000 0.518 238 M N 1.258 120.876 119.600 0.031 0.000 2.319 238 M HA 0.199 4.248 4.480 -0.718 0.000 0.343 238 M C -1.318 174.953 176.300 -0.049 0.000 1.364 238 M CA 0.091 55.425 55.300 0.057 0.000 1.292 238 M CB -0.986 31.630 32.600 0.025 0.000 1.432 238 M HN 0.073 nan 8.290 nan 0.000 0.448 239 W N 2.262 123.646 121.300 0.140 0.000 2.411 239 W HA 0.404 4.632 4.660 -0.721 0.000 0.317 239 W C 0.307 176.876 176.519 0.083 0.000 1.030 239 W CA -0.541 56.848 57.345 0.073 0.000 1.239 239 W CB 1.130 30.632 29.460 0.070 0.000 1.304 239 W HN 0.498 nan 8.180 nan 0.000 0.437 240 Q N 3.605 123.554 119.800 0.248 0.000 2.296 240 Q HA 0.269 4.178 4.340 -0.718 0.000 0.263 240 Q C -1.170 174.908 176.000 0.132 0.000 1.026 240 Q CA -0.100 55.842 55.803 0.231 0.000 0.912 240 Q CB 0.426 29.300 28.738 0.227 0.000 1.198 240 Q HN 0.409 nan 8.270 nan 0.000 0.407 241 F N 3.759 123.773 119.950 0.106 0.000 2.390 241 F HA 0.159 4.258 4.527 -0.712 0.000 0.361 241 F C 0.692 176.516 175.800 0.041 0.000 1.124 241 F CA -0.706 57.330 58.000 0.058 0.000 1.149 241 F CB 0.660 39.635 39.000 -0.042 0.000 1.160 241 F HN 0.577 nan 8.300 nan 0.000 0.501 242 H N 6.610 125.718 119.070 0.063 0.000 3.004 242 H HA 0.035 4.160 4.556 -0.719 0.000 0.316 242 H C -1.584 173.719 175.328 -0.042 0.000 1.014 242 H CA -1.371 54.616 56.048 -0.100 0.000 1.454 242 H CB 1.565 31.089 29.762 -0.397 0.000 1.472 242 H HN 0.359 nan 8.280 nan 0.000 0.571 243 P HA -0.110 nan 4.420 nan 0.000 0.216 243 P C 0.436 177.798 177.300 0.103 0.000 1.150 243 P CA 1.338 64.422 63.100 -0.027 0.000 0.837 243 P CB 0.129 31.742 31.700 -0.146 0.000 0.786 244 T N -2.429 112.295 114.554 0.284 0.000 3.331 244 T HA 0.634 4.553 4.350 -0.718 0.000 0.381 244 T C 0.338 175.074 174.700 0.060 0.000 1.656 244 T CA -0.835 61.358 62.100 0.155 0.000 1.453 244 T CB 0.327 69.252 68.868 0.096 0.000 1.066 244 T HN 0.014 nan 8.240 nan 0.000 0.655 245 G N 2.017 110.839 108.800 0.037 0.000 2.412 245 G HA2 0.634 4.163 3.960 -0.718 0.000 0.318 245 G HA3 0.634 4.163 3.960 -0.718 0.000 0.318 245 G C -0.170 174.722 174.900 -0.013 0.000 1.146 245 G CA -1.190 43.895 45.100 -0.024 0.000 0.882 245 G HN 0.786 nan 8.290 nan 0.000 0.501 246 I N 1.627 122.179 120.570 -0.030 0.000 2.533 246 I HA 0.178 3.917 4.170 -0.718 0.000 0.284 246 I C 1.265 177.390 176.117 0.013 0.000 1.109 246 I CA -0.172 61.114 61.300 -0.024 0.000 1.412 246 I CB 1.034 39.036 38.000 0.004 0.000 1.396 246 I HN 0.515 nan 8.210 nan 0.000 0.543 247 A N 5.197 128.013 122.820 -0.007 0.000 2.548 247 A HA 0.393 4.282 4.320 -0.718 0.000 0.247 247 A C 1.355 179.038 177.584 0.165 0.000 1.067 247 A CA 0.551 52.630 52.037 0.070 0.000 0.757 247 A CB -0.321 18.696 19.000 0.029 0.000 0.996 247 A HN 1.231 nan 8.150 nan 0.000 0.504 248 G N 0.876 109.768 108.800 0.153 0.000 2.205 248 G HA2 -0.047 3.482 3.960 -0.718 0.000 0.261 248 G HA3 -0.047 3.482 3.960 -0.718 0.000 0.261 248 G C 0.915 175.895 174.900 0.133 0.000 0.980 248 G CA 1.240 46.434 45.100 0.158 0.000 0.632 248 G HN 2.031 nan 8.290 nan 0.000 0.533 249 A N -1.472 121.412 122.820 0.107 0.000 2.026 249 A HA 0.636 4.525 4.320 -0.718 0.000 0.198 249 A C 2.715 180.275 177.584 -0.041 0.000 1.390 249 A CA 1.932 53.999 52.037 0.051 0.000 0.915 249 A CB -0.185 18.863 19.000 0.079 0.000 0.974 249 A HN 2.310 nan 8.150 nan 0.000 0.477 250 G N -0.981 107.803 108.800 -0.026 0.000 2.225 250 G HA2 -0.223 3.306 3.960 -0.718 0.000 0.254 250 G HA3 -0.223 3.306 3.960 -0.718 0.000 0.254 250 G C 0.385 175.227 174.900 -0.096 0.000 0.988 250 G CA 0.257 45.331 45.100 -0.042 0.000 0.625 250 G HN 0.956 nan 8.290 nan 0.000 0.527 251 V N 2.003 121.808 119.914 -0.182 0.000 2.585 251 V HA 0.392 4.081 4.120 -0.718 0.000 0.296 251 V C 1.063 177.080 176.094 -0.128 0.000 1.035 251 V CA 0.282 62.447 62.300 -0.226 0.000 1.084 251 V CB 1.328 32.874 31.823 -0.461 0.000 0.953 251 V HN 0.596 nan 8.190 nan 0.000 0.483 252 L N 7.844 129.003 121.223 -0.107 0.000 2.380 252 L HA 0.474 4.383 4.340 -0.718 0.000 0.273 252 L C -0.019 176.775 176.870 -0.127 0.000 1.138 252 L CA 0.318 55.067 54.840 -0.152 0.000 0.832 252 L CB 1.256 43.205 42.059 -0.183 0.000 1.124 252 L HN 0.576 nan 8.230 nan 0.000 0.454 253 V N 1.767 121.596 119.914 -0.141 0.000 2.483 253 V HA 0.500 4.189 4.120 -0.718 0.000 0.295 253 V C 0.349 176.379 176.094 -0.106 0.000 1.035 253 V CA -0.440 61.807 62.300 -0.089 0.000 0.896 253 V CB 1.103 32.896 31.823 -0.051 0.000 0.986 253 V HN 0.907 nan 8.190 nan 0.000 0.447 254 T N 1.583 116.114 114.554 -0.039 0.000 2.932 254 T HA 0.067 3.986 4.350 -0.718 0.000 0.312 254 T C 0.981 175.694 174.700 0.022 0.000 1.071 254 T CA 0.848 62.959 62.100 0.019 0.000 1.128 254 T CB 0.707 69.640 68.868 0.109 0.000 0.984 254 T HN 1.111 nan 8.240 nan 0.000 0.549 255 E N 2.126 122.335 120.200 0.015 0.000 2.409 255 E HA -0.018 3.901 4.350 -0.718 0.000 0.198 255 E C 1.939 178.269 176.600 -0.449 0.000 1.024 255 E CA 0.912 57.130 56.400 -0.302 0.000 0.861 255 E CB -0.680 28.637 29.700 -0.638 0.000 0.788 255 E HN 0.903 nan 8.360 nan 0.000 0.521 256 G N -0.062 108.668 108.800 -0.117 0.000 2.559 256 G HA2 -0.241 3.289 3.960 -0.718 0.000 0.216 256 G HA3 -0.241 3.289 3.960 -0.718 0.000 0.216 256 G C 1.452 176.374 174.900 0.037 0.000 1.126 256 G CA 0.647 45.819 45.100 0.120 0.000 0.778 256 G HN 0.372 nan 8.290 nan 0.000 0.543 257 C N 0.021 119.310 119.300 -0.018 0.000 2.453 257 C HA 0.047 4.076 4.460 -0.718 0.000 0.277 257 C C 2.927 177.893 174.990 -0.039 0.000 1.262 257 C CA 0.692 59.694 59.018 -0.028 0.000 1.718 257 C CB -0.621 27.095 27.740 -0.040 0.000 2.031 257 C HN 0.443 nan 8.230 nan 0.000 0.480 258 R N 0.692 121.147 120.500 -0.075 0.000 2.193 258 R HA 0.068 3.977 4.340 -0.718 0.000 0.213 258 R C 2.307 178.582 176.300 -0.040 0.000 1.055 258 R CA 1.101 57.167 56.100 -0.057 0.000 0.995 258 R CB -0.600 29.642 30.300 -0.096 0.000 0.893 258 R HN 0.583 nan 8.270 nan 0.000 0.459 259 G N 0.610 109.370 108.800 -0.067 0.000 2.443 259 G HA2 -0.186 3.343 3.960 -0.718 0.000 0.219 259 G HA3 -0.186 3.343 3.960 -0.718 0.000 0.219 259 G C 1.082 176.028 174.900 0.077 0.000 1.131 259 G CA 0.377 45.489 45.100 0.019 0.000 0.775 259 G HN 0.201 nan 8.290 nan 0.000 0.547 260 E N -0.167 120.074 120.200 0.069 0.000 2.474 260 E HA 0.198 4.118 4.350 -0.718 0.000 0.195 260 E C 1.577 178.212 176.600 0.058 0.000 1.039 260 E CA 0.572 57.020 56.400 0.079 0.000 0.881 260 E CB 0.634 30.376 29.700 0.069 0.000 0.970 260 E HN 0.438 nan 8.360 nan 0.000 0.486 261 G N 0.979 109.822 108.800 0.071 0.000 2.164 261 G HA2 -0.158 3.371 3.960 -0.718 0.000 0.154 261 G HA3 -0.158 3.371 3.960 -0.718 0.000 0.154 261 G C 0.560 175.606 174.900 0.244 0.000 1.014 261 G CA -0.319 44.870 45.100 0.148 0.000 0.683 261 G HN 0.412 nan 8.290 nan 0.000 0.500 262 G N -0.243 108.616 108.800 0.098 0.000 2.572 262 G HA2 0.740 4.269 3.960 -0.718 0.000 0.261 262 G HA3 0.740 4.269 3.960 -0.718 0.000 0.261 262 G C -0.275 174.697 174.900 0.120 0.000 1.197 262 G CA 0.104 45.236 45.100 0.054 0.000 0.870 262 G HN 1.349 nan 8.290 nan 0.000 0.548 263 Y N -2.037 118.294 120.300 0.051 0.000 2.655 263 Y HA 0.684 4.796 4.550 -0.730 0.000 0.336 263 Y C -0.916 174.936 175.900 -0.079 0.000 1.154 263 Y CA -1.718 56.352 58.100 -0.050 0.000 1.055 263 Y CB 1.167 39.581 38.460 -0.076 0.000 1.295 263 Y HN 0.404 nan 8.280 nan 0.000 0.465 264 L N 2.938 124.170 121.223 0.014 0.000 2.289 264 L HA 0.581 4.490 4.340 -0.718 0.000 0.285 264 L C -0.685 176.162 176.870 -0.039 0.000 1.049 264 L CA -0.537 54.248 54.840 -0.093 0.000 0.804 264 L CB 1.179 43.072 42.059 -0.276 0.000 1.195 264 L HN 0.527 nan 8.230 nan 0.000 0.428 265 L N 2.779 124.094 121.223 0.153 0.000 2.333 265 L HA 0.537 4.446 4.340 -0.718 0.000 0.269 265 L C -0.272 176.839 176.870 0.402 0.000 1.010 265 L CA -0.919 54.078 54.840 0.262 0.000 0.818 265 L CB 1.876 44.041 42.059 0.176 0.000 1.306 265 L HN 0.658 nan 8.230 nan 0.000 0.430 266 N N 0.699 119.644 118.700 0.409 0.000 2.643 266 N HA 0.184 4.493 4.740 -0.718 0.000 0.305 266 N C 0.458 175.999 175.510 0.051 0.000 1.283 266 N CA -0.855 52.304 53.050 0.182 0.000 0.946 266 N CB 0.352 38.897 38.487 0.097 0.000 1.149 266 N HN 0.588 nan 8.380 nan 0.000 0.600 267 K N -1.361 118.982 120.400 -0.094 0.000 2.211 267 K HA -0.160 3.730 4.320 -0.718 0.000 0.204 267 K C 0.398 176.865 176.600 -0.223 0.000 1.047 267 K CA 1.367 57.531 56.287 -0.206 0.000 0.935 267 K CB -0.411 31.895 32.500 -0.324 0.000 0.728 267 K HN 0.495 nan 8.250 nan 0.000 0.452 268 H N -0.085 119.010 119.070 0.042 0.000 2.536 268 H HA 0.145 4.257 4.556 -0.740 0.000 0.276 268 H C 1.179 176.545 175.328 0.063 0.000 1.019 268 H CA 0.615 56.691 56.048 0.046 0.000 1.159 268 H CB 0.586 30.372 29.762 0.039 0.000 1.373 268 H HN 0.632 nan 8.280 nan 0.000 0.584 269 G N 1.298 110.186 108.800 0.146 0.000 2.196 269 G HA2 -0.332 3.198 3.960 -0.718 0.000 0.268 269 G HA3 -0.332 3.198 3.960 -0.718 0.000 0.268 269 G C 0.400 175.394 174.900 0.157 0.000 0.975 269 G CA 0.632 45.814 45.100 0.137 0.000 0.648 269 G HN 0.520 nan 8.290 nan 0.000 0.538 270 E N 0.486 120.800 120.200 0.191 0.000 2.360 270 E HA 0.236 4.155 4.350 -0.718 0.000 0.269 270 E C 0.687 177.410 176.600 0.204 0.000 1.022 270 E CA -0.675 55.828 56.400 0.171 0.000 0.887 270 E CB 0.283 30.088 29.700 0.176 0.000 0.990 270 E HN 0.362 nan 8.360 nan 0.000 0.426 271 R N 5.461 126.018 120.500 0.095 0.000 3.268 271 R HA 0.029 3.938 4.340 -0.718 0.000 0.217 271 R C 0.716 176.998 176.300 -0.030 0.000 1.568 271 R CA -0.178 55.923 56.100 0.002 0.000 1.322 271 R CB -0.630 29.590 30.300 -0.134 0.000 1.280 271 R HN 0.526 nan 8.270 nan 0.000 0.667 272 F N 1.305 121.331 119.950 0.127 0.000 2.494 272 F HA -0.085 4.539 4.527 0.162 0.000 0.298 272 F C 1.250 177.205 175.800 0.258 0.000 1.106 272 F CA 0.198 58.309 58.000 0.184 0.000 1.452 272 F CB -0.174 38.994 39.000 0.279 0.000 1.085 272 F HN 0.282 nan 8.300 nan 0.000 0.569 273 M N 1.115 120.555 119.600 -0.266 0.000 2.476 273 M HA -0.073 3.976 4.480 -0.718 0.000 0.262 273 M C 1.783 178.111 176.300 0.048 0.000 1.079 273 M CA 0.981 56.240 55.300 -0.068 0.000 1.104 273 M CB -1.088 31.367 32.600 -0.240 0.000 1.409 273 M HN 0.383 nan 8.290 nan 0.000 0.467 274 E N -0.754 119.448 120.200 0.003 0.000 2.152 274 E HA -0.159 3.760 4.350 -0.718 0.000 0.192 274 E C 2.108 178.725 176.600 0.027 0.000 0.983 274 E CA 0.694 57.095 56.400 0.002 0.000 0.818 274 E CB -0.051 29.626 29.700 -0.038 0.000 0.758 274 E HN 0.442 nan 8.360 nan 0.000 0.467 275 R N 0.086 120.607 120.500 0.035 0.000 2.062 275 R HA -0.108 3.801 4.340 -0.718 0.000 0.226 275 R C 1.739 178.023 176.300 -0.027 0.000 1.125 275 R CA 1.126 57.201 56.100 -0.042 0.000 0.966 275 R CB -0.114 30.103 30.300 -0.138 0.000 0.861 275 R HN 0.168 nan 8.270 nan 0.000 0.433 276 Y N -0.419 119.945 120.300 0.106 0.000 2.293 276 Y HA 0.087 4.137 4.550 -0.833 0.000 0.291 276 Y C 0.675 176.635 175.900 0.100 0.000 1.137 276 Y CA 0.993 59.163 58.100 0.117 0.000 1.202 276 Y CB 0.338 38.896 38.460 0.164 0.000 0.990 276 Y HN 0.167 nan 8.280 nan 0.000 0.537 277 A N -0.946 122.008 122.820 0.224 0.000 3.007 277 A HA 0.419 4.308 4.320 -0.718 0.000 0.314 277 A C -2.226 175.427 177.584 0.117 0.000 1.153 277 A CA -1.075 51.070 52.037 0.180 0.000 0.780 277 A CB 0.380 19.492 19.000 0.187 0.000 1.258 277 A HN -0.047 nan 8.150 nan 0.000 0.460 278 P HA -0.171 nan 4.420 nan 0.000 0.217 278 P C 1.227 178.551 177.300 0.040 0.000 1.148 278 P CA 1.407 64.534 63.100 0.046 0.000 0.828 278 P CB 0.314 32.034 31.700 0.034 0.000 0.783 279 N N -0.529 118.208 118.700 0.061 0.000 2.178 279 N HA -0.031 4.278 4.740 -0.718 0.000 0.189 279 N C 1.736 177.280 175.510 0.058 0.000 1.048 279 N CA 1.497 54.578 53.050 0.051 0.000 0.855 279 N CB -0.924 37.597 38.487 0.057 0.000 1.028 279 N HN 0.024 nan 8.380 nan 0.000 0.441 280 A N 0.818 123.702 122.820 0.106 0.000 2.067 280 A HA -0.002 3.887 4.320 -0.718 0.000 0.217 280 A C 0.965 178.571 177.584 0.037 0.000 1.156 280 A CA 0.580 52.674 52.037 0.094 0.000 0.683 280 A CB -0.113 18.997 19.000 0.183 0.000 0.808 280 A HN 0.338 nan 8.150 nan 0.000 0.455 281 K N -1.448 118.974 120.400 0.036 0.000 1.751 281 K HA -0.236 3.653 4.320 -0.718 0.000 0.134 281 K C 0.136 176.713 176.600 -0.038 0.000 1.167 281 K CA 1.752 58.037 56.287 -0.003 0.000 0.330 281 K CB -1.498 30.985 32.500 -0.028 0.000 0.663 281 K HN 0.442 nan 8.250 nan 0.000 0.817 282 D N 1.229 121.594 120.400 -0.059 0.000 2.378 282 D HA -0.014 4.195 4.640 -0.718 0.000 0.227 282 D C 0.788 177.025 176.300 -0.104 0.000 1.012 282 D CA 0.850 54.799 54.000 -0.085 0.000 0.905 282 D CB -0.027 40.744 40.800 -0.049 0.000 0.895 282 D HN 0.194 nan 8.370 nan 0.000 0.532 283 L N 0.681 121.853 121.223 -0.085 0.000 3.141 283 L HA 0.322 4.232 4.340 -0.718 0.000 0.267 283 L C 0.706 177.492 176.870 -0.140 0.000 1.281 283 L CA -0.456 54.318 54.840 -0.110 0.000 1.037 283 L CB 0.559 42.585 42.059 -0.055 0.000 1.407 283 L HN -0.173 nan 8.230 nan 0.000 0.566 284 A N 0.040 122.733 122.820 -0.212 0.000 2.310 284 A HA 0.572 4.462 4.320 -0.718 0.000 0.260 284 A C 0.924 178.068 177.584 -0.734 0.000 1.112 284 A CA 0.250 51.996 52.037 -0.485 0.000 0.804 284 A CB 0.051 18.844 19.000 -0.345 0.000 1.081 284 A HN 0.318 nan 8.150 nan 0.000 0.499 285 G N -0.807 107.086 108.800 -1.511 0.000 2.391 285 G HA2 0.207 3.736 3.960 -0.718 0.000 0.234 285 G HA3 0.207 3.736 3.960 -0.718 0.000 0.234 285 G C 0.772 175.424 174.900 -0.413 0.000 1.284 285 G CA -0.088 44.527 45.100 -0.807 0.000 0.873 285 G HN 0.806 nan 8.290 nan 0.000 0.549 286 R N 0.611 120.959 120.500 -0.254 0.000 2.081 286 R HA -0.125 3.784 4.340 -0.718 0.000 0.235 286 R C 2.422 178.636 176.300 -0.143 0.000 1.131 286 R CA 1.730 57.701 56.100 -0.215 0.000 0.960 286 R CB -0.117 30.064 30.300 -0.198 0.000 0.856 286 R HN 0.829 nan 8.270 nan 0.000 0.436 287 D N 0.225 120.577 120.400 -0.080 0.000 2.149 287 D HA -0.138 4.071 4.640 -0.718 0.000 0.198 287 D C 1.798 178.051 176.300 -0.078 0.000 0.990 287 D CA 1.083 55.057 54.000 -0.043 0.000 0.839 287 D CB -0.464 40.344 40.800 0.013 0.000 0.948 287 D HN 0.092 nan 8.370 nan 0.000 0.460 288 V N 0.896 120.759 119.914 -0.085 0.000 2.307 288 V HA -0.204 3.485 4.120 -0.718 0.000 0.245 288 V C 2.962 178.998 176.094 -0.097 0.000 1.045 288 V CA 1.281 63.547 62.300 -0.057 0.000 1.024 288 V CB -0.293 31.517 31.823 -0.021 0.000 0.651 288 V HN 0.109 nan 8.190 nan 0.000 0.449 289 V N 0.560 120.392 119.914 -0.137 0.000 2.392 289 V HA -0.273 3.416 4.120 -0.718 0.000 0.249 289 V C 2.696 178.732 176.094 -0.098 0.000 1.059 289 V CA 1.991 64.221 62.300 -0.117 0.000 1.051 289 V CB -1.325 30.407 31.823 -0.153 0.000 0.658 289 V HN 0.551 nan 8.190 nan 0.000 0.455 290 A N -0.018 122.734 122.820 -0.113 0.000 1.877 290 A HA -0.215 3.674 4.320 -0.718 0.000 0.216 290 A C 2.434 179.922 177.584 -0.160 0.000 1.186 290 A CA 1.849 53.822 52.037 -0.107 0.000 0.620 290 A CB -0.473 18.475 19.000 -0.086 0.000 0.822 290 A HN 0.494 nan 8.150 nan 0.000 0.443 291 R N -0.387 119.993 120.500 -0.200 0.000 2.090 291 R HA -0.047 3.862 4.340 -0.718 0.000 0.228 291 R C 2.566 178.794 176.300 -0.120 0.000 1.110 291 R CA 1.325 57.304 56.100 -0.200 0.000 0.973 291 R CB -0.363 29.837 30.300 -0.167 0.000 0.869 291 R HN 0.526 nan 8.270 nan 0.000 0.440 292 S N 1.351 116.887 115.700 -0.274 0.000 2.359 292 S HA -0.172 3.868 4.470 -0.718 0.000 0.223 292 S C 1.983 176.326 174.600 -0.429 0.000 1.039 292 S CA 1.371 59.155 58.200 -0.693 0.000 1.042 292 S CB -0.279 62.535 63.200 -0.644 0.000 0.915 292 S HN 0.238 nan 8.310 nan 0.000 0.439 293 I N 1.117 121.596 120.570 -0.151 0.000 2.264 293 I HA -0.207 3.533 4.170 -0.718 0.000 0.248 293 I C 2.179 178.215 176.117 -0.135 0.000 1.111 293 I CA 0.982 62.207 61.300 -0.125 0.000 1.382 293 I CB -0.308 37.712 38.000 0.033 0.000 1.060 293 I HN 0.296 nan 8.210 nan 0.000 0.418 294 M N -0.149 119.419 119.600 -0.052 0.000 2.319 294 M HA -0.074 3.976 4.480 -0.718 0.000 0.265 294 M C 2.299 178.652 176.300 0.088 0.000 1.068 294 M CA 1.573 56.909 55.300 0.061 0.000 1.118 294 M CB -0.818 31.893 32.600 0.185 0.000 1.395 294 M HN 0.204 nan 8.290 nan 0.000 0.435 295 I N -0.306 120.299 120.570 0.057 0.000 2.233 295 I HA -0.232 3.507 4.170 -0.718 0.000 0.243 295 I C 2.344 178.450 176.117 -0.018 0.000 1.093 295 I CA 0.823 62.153 61.300 0.049 0.000 1.380 295 I CB -0.415 37.665 38.000 0.133 0.000 1.067 295 I HN 0.208 nan 8.210 nan 0.000 0.413 296 E N 1.080 121.200 120.200 -0.132 0.000 2.049 296 E HA -0.231 3.688 4.350 -0.718 0.000 0.198 296 E C 2.295 178.815 176.600 -0.133 0.000 1.007 296 E CA 1.540 57.818 56.400 -0.203 0.000 0.809 296 E CB -0.380 28.983 29.700 -0.561 0.000 0.749 296 E HN 0.526 nan 8.360 nan 0.000 0.450 297 I N 0.385 120.882 120.570 -0.120 0.000 2.179 297 I HA -0.253 3.487 4.170 -0.718 0.000 0.242 297 I C 2.645 178.738 176.117 -0.041 0.000 1.088 297 I CA 1.060 62.317 61.300 -0.071 0.000 1.357 297 I CB -0.215 37.762 38.000 -0.039 0.000 1.051 297 I HN -0.013 nan 8.210 nan 0.000 0.409 298 R N 0.715 121.200 120.500 -0.025 0.000 2.316 298 R HA -0.080 3.830 4.340 -0.718 0.000 0.202 298 R C 0.337 176.614 176.300 -0.038 0.000 1.029 298 R CA 0.698 56.783 56.100 -0.026 0.000 1.018 298 R CB 0.123 30.408 30.300 -0.025 0.000 0.888 298 R HN 0.425 nan 8.270 nan 0.000 0.471 299 E N -1.214 118.967 120.200 -0.032 0.000 2.989 299 E HA 0.174 4.094 4.350 -0.718 0.000 0.207 299 E C 0.170 176.763 176.600 -0.011 0.000 0.989 299 E CA 0.143 56.528 56.400 -0.024 0.000 1.186 299 E CB 1.350 31.039 29.700 -0.017 0.000 1.141 299 E HN 0.349 nan 8.360 nan 0.000 0.454 300 G N 1.922 110.709 108.800 -0.021 0.000 2.187 300 G HA2 -0.388 3.141 3.960 -0.718 0.000 0.261 300 G HA3 -0.388 3.141 3.960 -0.718 0.000 0.261 300 G C 0.925 175.809 174.900 -0.026 0.000 1.000 300 G CA 0.408 45.495 45.100 -0.020 0.000 0.718 300 G HN 0.342 nan 8.290 nan 0.000 0.519 301 R N 0.182 120.663 120.500 -0.031 0.000 2.359 301 R HA 0.285 4.195 4.340 -0.718 0.000 0.231 301 R C 1.696 177.918 176.300 -0.131 0.000 0.913 301 R CA 0.322 56.394 56.100 -0.046 0.000 1.075 301 R CB 0.404 30.733 30.300 0.049 0.000 1.087 301 R HN 0.370 nan 8.270 nan 0.000 0.515 302 G N 0.126 108.844 108.800 -0.137 0.000 2.580 302 G HA2 0.276 3.806 3.960 -0.718 0.000 0.278 302 G HA3 0.276 3.806 3.960 -0.718 0.000 0.278 302 G C -0.141 174.627 174.900 -0.221 0.000 1.212 302 G CA -0.548 44.445 45.100 -0.179 0.000 0.939 302 G HN 0.132 nan 8.290 nan 0.000 0.513 303 C N -0.794 118.279 119.300 -0.378 0.000 2.354 303 C HA 0.724 4.753 4.460 -0.718 0.000 0.381 303 C C 0.253 175.068 174.990 -0.291 0.000 1.240 303 C CA -0.589 58.198 59.018 -0.385 0.000 2.089 303 C CB 1.691 29.126 27.740 -0.508 0.000 2.234 303 C HN 0.799 nan 8.230 nan 0.000 0.544 304 D N -1.791 118.612 120.400 0.004 0.000 2.801 304 D HA 0.670 4.879 4.640 -0.718 0.000 0.277 304 D C -0.058 176.502 176.300 0.433 0.000 1.125 304 D CA 0.692 54.827 54.000 0.226 0.000 1.102 304 D CB 2.369 43.239 40.800 0.116 0.000 1.400 304 D HN 0.959 nan 8.370 nan 0.000 0.601 305 G N -0.302 108.678 108.800 0.301 0.000 2.302 305 G HA2 -0.033 3.496 3.960 -0.718 0.000 0.276 305 G HA3 -0.033 3.496 3.960 -0.718 0.000 0.276 305 G C -2.382 172.471 174.900 -0.080 0.000 1.316 305 G CA -0.294 44.888 45.100 0.136 0.000 0.988 305 G HN 0.324 nan 8.290 nan 0.000 0.479 306 P HA -0.012 nan 4.420 nan 0.000 0.218 306 P C 1.383 178.480 177.300 -0.338 0.000 1.148 306 P CA 1.707 64.485 63.100 -0.538 0.000 0.822 306 P CB 0.005 31.158 31.700 -0.911 0.000 0.784 307 W N -0.402 120.904 121.300 0.011 0.000 2.678 307 W HA 0.315 4.546 4.660 -0.714 0.000 0.256 307 W C 1.077 177.626 176.519 0.051 0.000 1.280 307 W CA 0.928 58.268 57.345 -0.009 0.000 1.345 307 W CB -0.970 28.398 29.460 -0.153 0.000 1.118 307 W HN 0.026 nan 8.180 nan 0.000 0.629 308 G N 0.463 109.461 108.800 0.330 0.000 2.685 308 G HA2 -0.201 3.328 3.960 -0.718 0.000 0.387 308 G HA3 -0.201 3.328 3.960 -0.718 0.000 0.387 308 G C -2.927 172.204 174.900 0.385 0.000 1.324 308 G CA -1.375 43.886 45.100 0.268 0.000 0.878 308 G HN -0.265 nan 8.290 nan 0.000 0.527 309 P HA 0.228 nan 4.420 nan 0.000 0.261 309 P C 0.020 177.460 177.300 0.233 0.000 1.173 309 P CA 1.172 64.368 63.100 0.160 0.000 0.760 309 P CB 0.219 31.970 31.700 0.085 0.000 0.783 310 H N 0.589 119.690 119.070 0.053 0.000 2.917 310 H HA 0.702 4.835 4.556 -0.706 0.000 0.299 310 H C -1.819 173.514 175.328 0.009 0.000 1.418 310 H CA -1.221 54.843 56.048 0.028 0.000 1.138 310 H CB 0.556 30.327 29.762 0.016 0.000 1.830 310 H HN 0.399 nan 8.280 nan 0.000 0.514 311 A N 1.235 124.127 122.820 0.120 0.000 2.320 311 A HA 0.527 4.416 4.320 -0.718 0.000 0.334 311 A C -0.347 177.350 177.584 0.188 0.000 1.147 311 A CA -0.960 51.143 52.037 0.111 0.000 0.820 311 A CB 1.188 20.309 19.000 0.202 0.000 1.218 311 A HN 0.496 nan 8.150 nan 0.000 0.482 312 K N 1.030 121.518 120.400 0.147 0.000 2.211 312 K HA 0.369 4.258 4.320 -0.718 0.000 0.275 312 K C -1.445 175.177 176.600 0.037 0.000 1.024 312 K CA -0.472 55.866 56.287 0.086 0.000 0.887 312 K CB 1.602 34.137 32.500 0.058 0.000 1.084 312 K HN 0.520 nan 8.250 nan 0.000 0.463 313 L N 3.736 124.943 121.223 -0.026 0.000 2.277 313 L HA 0.279 4.188 4.340 -0.718 0.000 0.284 313 L C -0.279 176.516 176.870 -0.125 0.000 1.028 313 L CA -0.173 54.625 54.840 -0.070 0.000 0.835 313 L CB 0.738 42.763 42.059 -0.056 0.000 1.215 313 L HN 0.420 nan 8.230 nan 0.000 0.425 314 K N 5.169 125.437 120.400 -0.221 0.000 2.248 314 K HA 0.397 4.286 4.320 -0.718 0.000 0.281 314 K C -0.248 176.241 176.600 -0.184 0.000 1.054 314 K CA -0.351 55.791 56.287 -0.241 0.000 0.903 314 K CB 0.743 33.016 32.500 -0.379 0.000 1.077 314 K HN 0.894 nan 8.250 nan 0.000 0.474 315 L N 3.436 124.594 121.223 -0.109 0.000 2.948 315 L HA 0.024 3.934 4.340 -0.718 0.000 0.259 315 L C 1.614 178.345 176.870 -0.231 0.000 1.136 315 L CA -0.138 54.584 54.840 -0.197 0.000 0.959 315 L CB 0.105 42.075 42.059 -0.149 0.000 1.370 315 L HN 0.787 nan 8.230 nan 0.000 0.552 316 D N 1.023 121.391 120.400 -0.053 0.000 2.203 316 D HA -0.306 3.903 4.640 -0.718 0.000 0.199 316 D C 1.529 177.819 176.300 -0.018 0.000 0.997 316 D CA 1.767 55.752 54.000 -0.025 0.000 0.863 316 D CB -0.508 40.305 40.800 0.022 0.000 0.928 316 D HN 0.589 nan 8.370 nan 0.000 0.458 317 H N 0.569 119.624 119.070 -0.025 0.000 2.563 317 H HA 0.072 4.197 4.556 -0.719 0.000 0.272 317 H C 2.038 177.376 175.328 0.016 0.000 1.005 317 H CA 0.111 56.165 56.048 0.010 0.000 1.171 317 H CB -0.476 29.313 29.762 0.044 0.000 1.351 317 H HN 0.267 nan 8.280 nan 0.000 0.602 318 L N 0.310 121.307 121.223 -0.377 0.000 2.446 318 L HA 0.213 4.122 4.340 -0.718 0.000 0.219 318 L C 0.887 177.699 176.870 -0.096 0.000 1.116 318 L CA 0.468 55.167 54.840 -0.236 0.000 0.844 318 L CB -0.148 41.748 42.059 -0.272 0.000 0.970 318 L HN 0.528 nan 8.230 nan 0.000 0.457 319 G N 0.743 109.499 108.800 -0.074 0.000 2.719 319 G HA2 -0.229 3.300 3.960 -0.718 0.000 0.686 319 G HA3 -0.229 3.300 3.960 -0.718 0.000 0.686 319 G C 0.261 175.139 174.900 -0.037 0.000 1.201 319 G CA -0.003 45.076 45.100 -0.034 0.000 0.768 319 G HN 0.100 nan 8.290 nan 0.000 0.629 320 K N 0.184 120.569 120.400 -0.024 0.000 2.044 320 K HA -0.188 3.701 4.320 -0.718 0.000 0.210 320 K C 2.215 178.799 176.600 -0.026 0.000 1.049 320 K CA 2.272 58.545 56.287 -0.024 0.000 0.927 320 K CB -0.157 32.334 32.500 -0.015 0.000 0.713 320 K HN 0.682 nan 8.250 nan 0.000 0.443 321 E N 0.006 120.192 120.200 -0.022 0.000 2.031 321 E HA -0.174 3.745 4.350 -0.718 0.000 0.193 321 E C 1.918 178.500 176.600 -0.031 0.000 0.994 321 E CA 1.569 57.954 56.400 -0.024 0.000 0.800 321 E CB 0.060 29.750 29.700 -0.018 0.000 0.752 321 E HN 0.144 nan 8.360 nan 0.000 0.447 322 V N 1.442 121.337 119.914 -0.032 0.000 2.332 322 V HA -0.275 3.414 4.120 -0.718 0.000 0.248 322 V C 2.501 178.570 176.094 -0.041 0.000 1.055 322 V CA 1.554 63.832 62.300 -0.036 0.000 1.038 322 V CB -0.462 31.341 31.823 -0.033 0.000 0.651 322 V HN 0.343 nan 8.190 nan 0.000 0.450 323 L N -0.506 120.690 121.223 -0.045 0.000 2.027 323 L HA -0.178 3.731 4.340 -0.718 0.000 0.206 323 L C 2.572 179.421 176.870 -0.036 0.000 1.074 323 L CA 1.709 56.522 54.840 -0.044 0.000 0.745 323 L CB -0.538 41.490 42.059 -0.051 0.000 0.898 323 L HN 0.350 nan 8.230 nan 0.000 0.433 324 E N -0.843 119.336 120.200 -0.034 0.000 2.204 324 E HA -0.187 3.732 4.350 -0.718 0.000 0.194 324 E C 2.256 178.835 176.600 -0.037 0.000 0.989 324 E CA 1.270 57.650 56.400 -0.032 0.000 0.824 324 E CB 0.091 29.774 29.700 -0.029 0.000 0.756 324 E HN 0.376 nan 8.360 nan 0.000 0.477 325 S N 0.066 115.740 115.700 -0.043 0.000 2.412 325 S HA 0.007 4.047 4.470 -0.718 0.000 0.223 325 S C 1.874 176.434 174.600 -0.066 0.000 1.048 325 S CA 0.142 58.308 58.200 -0.057 0.000 0.954 325 S CB 0.237 63.397 63.200 -0.066 0.000 0.840 325 S HN 0.031 nan 8.310 nan 0.000 0.503 326 R N 0.659 121.123 120.500 -0.060 0.000 2.173 326 R HA 0.368 4.277 4.340 -0.718 0.000 0.208 326 R C 0.542 176.845 176.300 0.005 0.000 1.035 326 R CA 0.554 56.628 56.100 -0.044 0.000 1.004 326 R CB -0.584 29.705 30.300 -0.018 0.000 0.917 326 R HN 0.449 nan 8.270 nan 0.000 0.462 327 L N 1.415 122.636 121.223 -0.003 0.000 3.186 327 L HA 0.251 4.160 4.340 -0.718 0.000 0.317 327 L C -1.743 175.122 176.870 -0.008 0.000 1.296 327 L CA -0.911 53.934 54.840 0.007 0.000 0.870 327 L CB 1.594 43.658 42.059 0.008 0.000 1.302 327 L HN -0.119 nan 8.230 nan 0.000 0.590 328 P HA -0.140 nan 4.420 nan 0.000 0.218 328 P C 1.608 178.896 177.300 -0.020 0.000 1.149 328 P CA 1.517 64.603 63.100 -0.024 0.000 0.817 328 P CB 0.348 32.029 31.700 -0.032 0.000 0.785 329 G N 1.274 110.065 108.800 -0.015 0.000 2.418 329 G HA2 -0.228 3.301 3.960 -0.718 0.000 0.217 329 G HA3 -0.228 3.301 3.960 -0.718 0.000 0.217 329 G C 1.481 176.382 174.900 0.003 0.000 1.158 329 G CA 1.159 46.253 45.100 -0.011 0.000 0.771 329 G HN 0.402 nan 8.290 nan 0.000 0.545 330 I N -1.215 119.357 120.570 0.003 0.000 2.761 330 I HA 0.178 3.917 4.170 -0.718 0.000 0.261 330 I C 2.324 178.440 176.117 -0.001 0.000 1.198 330 I CA 0.479 61.782 61.300 0.005 0.000 1.482 330 I CB -0.328 37.671 38.000 -0.002 0.000 1.100 330 I HN 0.029 nan 8.210 nan 0.000 0.445 331 L N 0.702 121.919 121.223 -0.011 0.000 1.990 331 L HA -0.222 3.687 4.340 -0.718 0.000 0.213 331 L C 2.692 179.552 176.870 -0.017 0.000 1.072 331 L CA 2.032 56.861 54.840 -0.018 0.000 0.755 331 L CB -0.663 41.382 42.059 -0.023 0.000 0.889 331 L HN 0.372 nan 8.230 nan 0.000 0.432 332 E N -0.187 120.004 120.200 -0.015 0.000 2.072 332 E HA -0.170 3.749 4.350 -0.718 0.000 0.190 332 E C 2.398 178.997 176.600 -0.002 0.000 0.982 332 E CA 0.692 57.078 56.400 -0.022 0.000 0.803 332 E CB 0.023 29.708 29.700 -0.024 0.000 0.755 332 E HN 0.410 nan 8.360 nan 0.000 0.453 333 L N 0.321 121.578 121.223 0.056 0.000 2.046 333 L HA -0.201 3.708 4.340 -0.718 0.000 0.208 333 L C 2.651 179.615 176.870 0.155 0.000 1.077 333 L CA 1.078 56.019 54.840 0.169 0.000 0.747 333 L CB -0.399 41.744 42.059 0.140 0.000 0.896 333 L HN 0.161 nan 8.230 nan 0.000 0.432 334 S N -0.130 115.605 115.700 0.057 0.000 2.371 334 S HA -0.149 3.890 4.470 -0.718 0.000 0.224 334 S C 2.103 176.700 174.600 -0.004 0.000 1.029 334 S CA 0.968 59.186 58.200 0.030 0.000 0.978 334 S CB -0.042 63.154 63.200 -0.007 0.000 0.833 334 S HN 0.308 nan 8.310 nan 0.000 0.466 335 R N -0.020 120.453 120.500 -0.045 0.000 2.120 335 R HA -0.011 3.898 4.340 -0.718 0.000 0.234 335 R C 2.370 178.516 176.300 -0.257 0.000 1.123 335 R CA 1.859 57.901 56.100 -0.097 0.000 0.975 335 R CB -0.568 29.683 30.300 -0.081 0.000 0.866 335 R HN 0.398 nan 8.270 nan 0.000 0.446 336 T N -0.268 114.112 114.554 -0.290 0.000 2.852 336 T HA 0.002 3.921 4.350 -0.718 0.000 0.256 336 T C 0.997 175.285 174.700 -0.687 0.000 1.038 336 T CA 1.073 62.826 62.100 -0.577 0.000 1.141 336 T CB -0.025 68.410 68.868 -0.722 0.000 0.869 336 T HN 0.086 nan 8.240 nan 0.000 0.439 337 F N 0.226 120.103 119.950 -0.122 0.000 2.721 337 F HA 0.543 4.639 4.527 -0.719 0.000 0.301 337 F C 1.931 177.795 175.800 0.107 0.000 1.096 337 F CA -0.295 57.700 58.000 -0.009 0.000 1.308 337 F CB 0.198 39.208 39.000 0.017 0.000 1.086 337 F HN 0.129 nan 8.300 nan 0.000 0.587 338 A N -1.954 121.000 122.820 0.224 0.000 2.456 338 A HA 0.252 4.141 4.320 -0.718 0.000 0.237 338 A C 0.175 178.061 177.584 0.502 0.000 1.217 338 A CA -0.058 52.218 52.037 0.398 0.000 0.962 338 A CB -0.696 18.399 19.000 0.158 0.000 1.079 338 A HN 0.420 nan 8.150 nan 0.000 0.536 339 H N -1.432 117.747 119.070 0.182 0.000 2.776 339 H HA -0.140 3.984 4.556 -0.719 0.000 0.300 339 H C -0.516 174.903 175.328 0.153 0.000 1.161 339 H CA 0.795 56.919 56.048 0.126 0.000 1.147 339 H CB -1.979 27.841 29.762 0.098 0.000 1.366 339 H HN 0.226 nan 8.280 nan 0.000 0.397 340 V N 0.673 120.693 119.914 0.177 0.000 2.487 340 V HA 0.192 3.881 4.120 -0.718 0.000 0.298 340 V C 0.206 176.324 176.094 0.040 0.000 1.028 340 V CA -0.842 61.527 62.300 0.116 0.000 0.860 340 V CB 2.013 33.864 31.823 0.048 0.000 0.991 340 V HN 0.275 nan 8.190 nan 0.000 0.427 341 D N 6.856 127.277 120.400 0.035 0.000 2.339 341 D HA 0.326 4.535 4.640 -0.718 0.000 0.241 341 D C -1.736 174.561 176.300 -0.005 0.000 1.183 341 D CA -2.134 51.871 54.000 0.010 0.000 0.859 341 D CB 2.081 42.891 40.800 0.015 0.000 1.067 341 D HN 0.201 nan 8.370 nan 0.000 0.484 342 P HA -0.076 nan 4.420 nan 0.000 0.230 342 P C 1.283 178.562 177.300 -0.036 0.000 1.158 342 P CA 0.284 63.362 63.100 -0.037 0.000 0.769 342 P CB 0.397 32.070 31.700 -0.045 0.000 0.807 343 V N -0.079 119.820 119.914 -0.025 0.000 2.809 343 V HA -0.124 3.566 4.120 -0.718 0.000 0.256 343 V C 1.966 178.055 176.094 -0.009 0.000 1.080 343 V CA 1.613 63.900 62.300 -0.023 0.000 1.102 343 V CB -0.737 31.075 31.823 -0.017 0.000 0.705 343 V HN 0.215 nan 8.190 nan 0.000 0.475 344 K N -0.620 119.780 120.400 -0.001 0.000 2.399 344 K HA 0.316 4.205 4.320 -0.718 0.000 0.196 344 K C 0.609 177.217 176.600 0.014 0.000 1.117 344 K CA 0.124 56.418 56.287 0.011 0.000 0.965 344 K CB 1.464 33.976 32.500 0.019 0.000 0.983 344 K HN 0.398 nan 8.250 nan 0.000 0.531 345 E N 1.252 121.455 120.200 0.004 0.000 2.372 345 E HA 0.288 4.207 4.350 -0.718 0.000 0.279 345 E C -2.938 173.643 176.600 -0.032 0.000 0.946 345 E CA -2.180 54.221 56.400 0.001 0.000 0.769 345 E CB 2.751 32.465 29.700 0.024 0.000 1.230 345 E HN -0.243 nan 8.360 nan 0.000 0.442 346 P HA 0.155 nan 4.420 nan 0.000 0.269 346 P C -0.572 176.646 177.300 -0.136 0.000 1.215 346 P CA 0.162 63.213 63.100 -0.083 0.000 0.780 346 P CB 0.452 32.112 31.700 -0.066 0.000 0.898 347 I N 3.875 124.358 120.570 -0.146 0.000 2.342 347 I HA 0.212 3.951 4.170 -0.718 0.000 0.291 347 I C -1.903 174.049 176.117 -0.276 0.000 1.010 347 I CA -2.436 58.739 61.300 -0.208 0.000 1.308 347 I CB 1.155 39.074 38.000 -0.135 0.000 1.400 347 I HN 0.144 nan 8.210 nan 0.000 0.488 348 P HA 0.080 nan 4.420 nan 0.000 0.274 348 P C -0.589 176.517 177.300 -0.323 0.000 1.291 348 P CA 0.028 62.728 63.100 -0.666 0.000 0.815 348 P CB 0.521 31.231 31.700 -1.650 0.000 0.897 349 V N 2.755 122.622 119.914 -0.078 0.000 2.815 349 V HA 0.746 4.435 4.120 -0.718 0.000 0.314 349 V C -0.420 175.719 176.094 0.074 0.000 1.064 349 V CA -1.225 61.071 62.300 -0.007 0.000 0.952 349 V CB 2.551 34.378 31.823 0.006 0.000 1.020 349 V HN 0.439 nan 8.190 nan 0.000 0.439 350 I N 2.226 122.838 120.570 0.071 0.000 2.752 350 I HA 0.616 4.356 4.170 -0.718 0.000 0.295 350 I C -2.839 173.330 176.117 0.088 0.000 1.219 350 I CA -2.406 58.947 61.300 0.088 0.000 1.030 350 I CB 3.187 41.249 38.000 0.104 0.000 1.259 350 I HN 0.546 nan 8.210 nan 0.000 0.423 351 P HA 0.121 nan 4.420 nan 0.000 0.262 351 P C -1.395 176.020 177.300 0.191 0.000 1.182 351 P CA 0.293 63.466 63.100 0.123 0.000 0.761 351 P CB 0.398 32.136 31.700 0.064 0.000 0.795 352 T N 2.025 116.711 114.554 0.221 0.000 2.893 352 T HA 0.206 4.125 4.350 -0.718 0.000 0.293 352 T C -0.496 174.246 174.700 0.070 0.000 1.027 352 T CA -0.446 61.760 62.100 0.177 0.000 0.988 352 T CB 1.025 69.942 68.868 0.081 0.000 1.043 352 T HN 0.441 nan 8.240 nan 0.000 0.461 353 C N 3.232 122.399 119.300 -0.222 0.000 2.590 353 C HA 0.206 4.235 4.460 -0.718 0.000 0.411 353 C C 1.396 176.273 174.990 -0.189 0.000 1.420 353 C CA 0.879 59.431 59.018 -0.775 0.000 1.643 353 C CB -1.374 25.759 27.740 -1.012 0.000 2.528 353 C HN 1.145 nan 8.230 nan 0.000 0.606 354 H N 2.343 121.310 119.070 -0.172 0.000 2.312 354 H HA 0.289 4.416 4.556 -0.715 0.000 0.215 354 H C -0.807 174.639 175.328 0.196 0.000 0.870 354 H CA 0.560 56.644 56.048 0.060 0.000 0.982 354 H CB 0.285 30.131 29.762 0.140 0.000 1.330 354 H HN 0.753 nan 8.280 nan 0.000 0.399 355 Y N 0.769 121.073 120.300 0.006 0.000 2.504 355 Y HA 0.362 4.480 4.550 -0.719 0.000 0.344 355 Y C -1.398 174.365 175.900 -0.229 0.000 1.023 355 Y CA -1.229 56.790 58.100 -0.134 0.000 1.020 355 Y CB 1.684 40.061 38.460 -0.138 0.000 1.282 355 Y HN 0.102 nan 8.280 nan 0.000 0.454 356 M N 7.354 126.284 119.600 -1.116 0.000 2.206 356 M HA 0.217 4.267 4.480 -0.718 0.000 0.353 356 M C -0.405 175.351 176.300 -0.908 0.000 1.242 356 M CA -0.317 54.191 55.300 -1.320 0.000 1.179 356 M CB 0.834 32.687 32.600 -1.246 0.000 1.374 356 M HN 1.077 nan 8.290 nan 0.000 0.427 357 M N 2.725 122.070 119.600 -0.425 0.000 2.229 357 M HA 0.073 4.122 4.480 -0.718 0.000 0.264 357 M C 1.265 177.482 176.300 -0.138 0.000 1.063 357 M CA 1.079 56.357 55.300 -0.036 0.000 1.114 357 M CB -0.242 32.396 32.600 0.064 0.000 1.387 357 M HN 0.730 nan 8.290 nan 0.000 0.420 358 G N -1.156 107.453 108.800 -0.318 0.000 2.553 358 G HA2 0.523 4.052 3.960 -0.718 0.000 0.278 358 G HA3 0.523 4.052 3.960 -0.718 0.000 0.278 358 G C 0.133 174.895 174.900 -0.229 0.000 1.349 358 G CA -0.117 44.844 45.100 -0.231 0.000 1.037 358 G HN 0.599 nan 8.290 nan 0.000 0.508 359 G N -1.858 106.844 108.800 -0.164 0.000 2.332 359 G HA2 0.237 3.767 3.960 -0.718 0.000 0.265 359 G HA3 0.237 3.767 3.960 -0.718 0.000 0.265 359 G C -1.043 173.798 174.900 -0.099 0.000 1.329 359 G CA -0.722 44.296 45.100 -0.136 0.000 0.949 359 G HN 0.734 nan 8.290 nan 0.000 0.476 360 I N 3.221 123.738 120.570 -0.089 0.000 2.396 360 I HA 0.285 4.025 4.170 -0.718 0.000 0.289 360 I C -1.741 174.314 176.117 -0.103 0.000 1.056 360 I CA -1.702 59.552 61.300 -0.077 0.000 1.365 360 I CB 1.580 39.543 38.000 -0.061 0.000 1.407 360 I HN 0.162 nan 8.210 nan 0.000 0.509 361 P HA 0.052 nan 4.420 nan 0.000 0.267 361 P C -0.503 176.716 177.300 -0.136 0.000 1.209 361 P CA 0.069 63.085 63.100 -0.140 0.000 0.763 361 P CB 0.485 32.110 31.700 -0.125 0.000 0.816 362 T N 0.186 114.646 114.554 -0.158 0.000 2.896 362 T HA 0.519 4.439 4.350 -0.718 0.000 0.297 362 T C -0.141 174.465 174.700 -0.156 0.000 1.108 362 T CA -1.076 60.935 62.100 -0.148 0.000 1.004 362 T CB 1.723 70.512 68.868 -0.131 0.000 1.159 362 T HN 0.067 nan 8.240 nan 0.000 0.499 363 K N 0.455 120.776 120.400 -0.132 0.000 2.149 363 K HA 0.435 4.324 4.320 -0.718 0.000 0.245 363 K C 1.383 177.906 176.600 -0.129 0.000 1.024 363 K CA -0.399 55.815 56.287 -0.122 0.000 0.899 363 K CB 0.436 32.873 32.500 -0.105 0.000 1.038 363 K HN 0.408 nan 8.250 nan 0.000 0.496 364 V N 1.115 120.950 119.914 -0.132 0.000 2.453 364 V HA -0.283 3.406 4.120 -0.718 0.000 0.252 364 V C 2.172 178.261 176.094 -0.009 0.000 1.068 364 V CA 2.448 64.689 62.300 -0.099 0.000 1.070 364 V CB -0.937 30.752 31.823 -0.224 0.000 0.664 364 V HN 1.077 nan 8.190 nan 0.000 0.461 365 T N -2.738 111.789 114.554 -0.046 0.000 2.977 365 T HA 0.094 4.013 4.350 -0.718 0.000 0.271 365 T C 1.624 176.437 174.700 0.187 0.000 1.105 365 T CA 1.507 63.644 62.100 0.062 0.000 1.116 365 T CB 0.175 69.047 68.868 0.006 0.000 0.878 365 T HN 0.982 nan 8.240 nan 0.000 0.509 366 G N 0.443 109.319 108.800 0.127 0.000 2.254 366 G HA2 -0.230 3.299 3.960 -0.718 0.000 0.225 366 G HA3 -0.230 3.299 3.960 -0.718 0.000 0.225 366 G C -0.026 174.969 174.900 0.159 0.000 1.003 366 G CA -0.112 45.106 45.100 0.196 0.000 0.622 366 G HN 0.671 nan 8.290 nan 0.000 0.507 367 Q N 1.218 121.023 119.800 0.007 0.000 2.286 367 Q HA 0.484 4.393 4.340 -0.718 0.000 0.290 367 Q C 0.718 176.546 176.000 -0.286 0.000 1.049 367 Q CA 0.411 55.958 55.803 -0.427 0.000 0.923 367 Q CB 0.868 29.391 28.738 -0.359 0.000 1.183 367 Q HN 0.843 nan 8.270 nan 0.000 0.383 368 A N 3.712 126.335 122.820 -0.329 0.000 2.340 368 A HA 0.541 4.430 4.320 -0.718 0.000 0.268 368 A C -0.505 176.975 177.584 -0.172 0.000 1.100 368 A CA -0.460 51.461 52.037 -0.192 0.000 0.803 368 A CB 0.467 19.378 19.000 -0.149 0.000 1.043 368 A HN 0.701 nan 8.150 nan 0.000 0.488 369 L N 0.633 121.779 121.223 -0.128 0.000 2.330 369 L HA 0.746 4.656 4.340 -0.718 0.000 0.271 369 L C 0.445 177.264 176.870 -0.085 0.000 1.013 369 L CA -0.469 54.307 54.840 -0.107 0.000 0.816 369 L CB 2.248 44.249 42.059 -0.097 0.000 1.287 369 L HN 0.790 nan 8.230 nan 0.000 0.435 370 T N 0.447 114.957 114.554 -0.073 0.000 2.865 370 T HA 0.694 4.613 4.350 -0.718 0.000 0.294 370 T C -1.323 173.346 174.700 -0.051 0.000 1.119 370 T CA -0.478 61.586 62.100 -0.060 0.000 1.007 370 T CB 1.883 70.716 68.868 -0.058 0.000 1.225 370 T HN 0.422 nan 8.240 nan 0.000 0.515 371 V N 2.054 121.941 119.914 -0.046 0.000 2.769 371 V HA 0.787 4.477 4.120 -0.718 0.000 0.312 371 V C 0.015 176.086 176.094 -0.038 0.000 1.058 371 V CA -1.152 61.125 62.300 -0.038 0.000 0.952 371 V CB 1.309 33.113 31.823 -0.032 0.000 1.019 371 V HN 1.011 nan 8.190 nan 0.000 0.445 372 N N 2.018 120.698 118.700 -0.033 0.000 2.408 372 N HA 0.187 4.497 4.740 -0.718 0.000 0.276 372 N C 0.942 176.434 175.510 -0.029 0.000 1.258 372 N CA -0.117 52.915 53.050 -0.030 0.000 0.975 372 N CB 0.111 38.582 38.487 -0.026 0.000 1.188 372 N HN 0.823 nan 8.380 nan 0.000 0.577 373 E N -0.192 119.992 120.200 -0.027 0.000 2.265 373 E HA -0.216 3.703 4.350 -0.718 0.000 0.196 373 E C 0.218 176.806 176.600 -0.021 0.000 0.996 373 E CA 1.191 57.575 56.400 -0.025 0.000 0.832 373 E CB -0.384 29.302 29.700 -0.022 0.000 0.756 373 E HN 0.682 nan 8.360 nan 0.000 0.491 374 K N 0.142 120.531 120.400 -0.018 0.000 2.458 374 K HA 0.176 4.065 4.320 -0.718 0.000 0.194 374 K C 1.074 177.666 176.600 -0.014 0.000 1.024 374 K CA 0.420 56.698 56.287 -0.015 0.000 1.108 374 K CB 0.423 32.915 32.500 -0.013 0.000 0.846 374 K HN 0.319 nan 8.250 nan 0.000 0.518 375 G N 1.635 110.425 108.800 -0.017 0.000 2.195 375 G HA2 -0.289 3.240 3.960 -0.718 0.000 0.246 375 G HA3 -0.289 3.240 3.960 -0.718 0.000 0.246 375 G C -0.268 174.625 174.900 -0.012 0.000 0.984 375 G CA -0.109 44.983 45.100 -0.013 0.000 0.633 375 G HN 0.412 nan 8.290 nan 0.000 0.525 376 E N 1.336 121.527 120.200 -0.015 0.000 2.366 376 E HA 0.417 4.336 4.350 -0.718 0.000 0.266 376 E C -0.503 176.085 176.600 -0.021 0.000 1.051 376 E CA -0.598 55.794 56.400 -0.015 0.000 0.884 376 E CB 0.596 30.286 29.700 -0.015 0.000 1.006 376 E HN 0.246 nan 8.360 nan 0.000 0.417 377 D N 1.452 121.839 120.400 -0.022 0.000 2.425 377 D HA 0.141 4.350 4.640 -0.718 0.000 0.247 377 D C -0.524 175.753 176.300 -0.038 0.000 1.147 377 D CA 0.080 54.060 54.000 -0.032 0.000 0.879 377 D CB 0.938 41.718 40.800 -0.033 0.000 1.179 377 D HN 0.179 nan 8.370 nan 0.000 0.456 378 V N -0.375 119.510 119.914 -0.047 0.000 2.876 378 V HA 0.537 4.227 4.120 -0.718 0.000 0.312 378 V C -0.279 175.773 176.094 -0.070 0.000 1.085 378 V CA -0.986 61.283 62.300 -0.052 0.000 0.945 378 V CB 1.850 33.647 31.823 -0.045 0.000 1.017 378 V HN 0.208 nan 8.190 nan 0.000 0.428 379 V N 4.042 123.908 119.914 -0.081 0.000 2.637 379 V HA 0.216 3.905 4.120 -0.718 0.000 0.296 379 V C 0.519 176.545 176.094 -0.114 0.000 1.046 379 V CA -0.182 62.050 62.300 -0.114 0.000 1.066 379 V CB 1.402 33.149 31.823 -0.128 0.000 0.968 379 V HN 0.779 nan 8.190 nan 0.000 0.483 380 V N 8.148 127.979 119.914 -0.139 0.000 2.405 380 V HA 0.179 3.868 4.120 -0.718 0.000 0.264 380 V C -2.011 173.994 176.094 -0.147 0.000 1.048 380 V CA -1.393 60.834 62.300 -0.120 0.000 0.966 380 V CB 0.693 32.448 31.823 -0.113 0.000 1.015 380 V HN 0.800 nan 8.190 nan 0.000 0.477 381 P HA 0.276 nan 4.420 nan 0.000 0.271 381 P C 0.987 178.257 177.300 -0.049 0.000 1.216 381 P CA 0.819 63.871 63.100 -0.080 0.000 0.776 381 P CB 0.829 32.511 31.700 -0.030 0.000 0.881 382 G N 0.926 109.721 108.800 -0.009 0.000 2.184 382 G HA2 -0.231 3.298 3.960 -0.718 0.000 0.264 382 G HA3 -0.231 3.298 3.960 -0.718 0.000 0.264 382 G C -0.404 174.591 174.900 0.158 0.000 0.975 382 G CA 0.121 45.299 45.100 0.131 0.000 0.642 382 G HN 0.604 nan 8.290 nan 0.000 0.536 383 L N 0.280 121.464 121.223 -0.065 0.000 2.381 383 L HA 0.898 4.807 4.340 -0.718 0.000 0.274 383 L C -0.805 175.906 176.870 -0.266 0.000 0.988 383 L CA -1.431 53.394 54.840 -0.025 0.000 0.824 383 L CB 1.097 43.123 42.059 -0.056 0.000 1.263 383 L HN 0.046 nan 8.230 nan 0.000 0.410 384 F N 3.363 123.302 119.950 -0.019 0.000 2.603 384 F HA 0.912 5.008 4.527 -0.718 0.000 0.317 384 F C 0.055 175.836 175.800 -0.032 0.000 1.066 384 F CA -0.665 57.321 58.000 -0.023 0.000 0.941 384 F CB 2.258 41.251 39.000 -0.011 0.000 1.291 384 F HN 0.606 nan 8.300 nan 0.000 0.472 385 A N 1.044 123.950 122.820 0.144 0.000 2.520 385 A HA 0.870 4.760 4.320 -0.718 0.000 0.298 385 A C -1.539 176.076 177.584 0.053 0.000 1.051 385 A CA -0.751 51.324 52.037 0.063 0.000 0.690 385 A CB 1.663 20.664 19.000 0.001 0.000 1.281 385 A HN 1.077 nan 8.150 nan 0.000 0.402 386 V N -0.798 119.143 119.914 0.045 0.000 3.049 386 V HA 1.009 4.699 4.120 -0.718 0.000 0.309 386 V C 0.434 176.561 176.094 0.056 0.000 1.148 386 V CA 0.101 62.439 62.300 0.063 0.000 0.990 386 V CB 0.836 32.718 31.823 0.098 0.000 1.039 386 V HN 2.935 nan 8.190 nan 0.000 0.430 387 G N 1.783 110.638 108.800 0.092 0.000 2.568 387 G HA2 -0.203 3.326 3.960 -0.718 0.000 0.222 387 G HA3 -0.203 3.326 3.960 -0.718 0.000 0.222 387 G C 0.490 175.436 174.900 0.075 0.000 1.321 387 G CA 0.852 46.014 45.100 0.103 0.000 0.893 387 G HN 1.423 nan 8.290 nan 0.000 0.569 388 E N -0.781 119.448 120.200 0.048 0.000 2.110 388 E HA -0.098 3.821 4.350 -0.718 0.000 0.193 388 E C 2.544 179.057 176.600 -0.146 0.000 0.988 388 E CA 1.475 57.838 56.400 -0.063 0.000 0.804 388 E CB -0.133 29.462 29.700 -0.174 0.000 0.745 388 E HN 0.537 nan 8.360 nan 0.000 0.458 389 I N 0.816 121.327 120.570 -0.098 0.000 2.657 389 I HA -0.094 3.645 4.170 -0.718 0.000 0.261 389 I C 0.551 176.613 176.117 -0.092 0.000 1.212 389 I CA 0.545 61.784 61.300 -0.101 0.000 1.453 389 I CB -0.465 37.496 38.000 -0.065 0.000 1.092 389 I HN 0.090 nan 8.210 nan 0.000 0.452 390 A N -0.640 122.137 122.820 -0.071 0.000 2.279 390 A HA 0.522 4.412 4.320 -0.718 0.000 0.303 390 A C -0.376 177.149 177.584 -0.098 0.000 1.108 390 A CA -0.331 51.656 52.037 -0.084 0.000 0.830 390 A CB 0.742 19.693 19.000 -0.082 0.000 1.106 390 A HN 0.364 nan 8.150 nan 0.000 0.493 391 C N 2.812 122.033 119.300 -0.133 0.000 2.653 391 C HA 0.476 4.505 4.460 -0.718 0.000 0.291 391 C C 1.214 176.074 174.990 -0.217 0.000 1.064 391 C CA -0.396 58.533 59.018 -0.149 0.000 1.469 391 C CB -1.063 26.584 27.740 -0.155 0.000 1.861 391 C HN 0.648 nan 8.230 nan 0.000 0.434 392 V N 3.289 123.044 119.914 -0.265 0.000 2.379 392 V HA 0.020 3.709 4.120 -0.718 0.000 0.245 392 V C 1.412 177.343 176.094 -0.272 0.000 1.044 392 V CA 1.638 63.726 62.300 -0.354 0.000 1.036 392 V CB -0.389 31.061 31.823 -0.623 0.000 0.664 392 V HN 0.814 nan 8.190 nan 0.000 0.453 393 S N -0.109 115.465 115.700 -0.210 0.000 2.456 393 S HA 0.402 4.441 4.470 -0.718 0.000 0.316 393 S C 0.333 174.844 174.600 -0.149 0.000 1.089 393 S CA -0.337 57.756 58.200 -0.178 0.000 1.101 393 S CB 1.772 64.911 63.200 -0.103 0.000 0.995 393 S HN 0.256 nan 8.310 nan 0.000 0.468 394 V N 2.992 122.715 119.914 -0.319 0.000 3.647 394 V HA 0.379 4.069 4.120 -0.718 0.000 0.279 394 V C 0.910 176.793 176.094 -0.351 0.000 1.314 394 V CA 0.340 62.441 62.300 -0.332 0.000 1.125 394 V CB -0.794 30.827 31.823 -0.337 0.000 0.907 394 V HN 0.921 nan 8.190 nan 0.000 0.434 395 H N 0.416 119.521 119.070 0.059 0.000 3.046 395 H HA 0.425 4.551 4.556 -0.717 0.000 0.262 395 H C 1.935 177.303 175.328 0.068 0.000 1.044 395 H CA 0.260 56.342 56.048 0.056 0.000 1.209 395 H CB 0.663 30.465 29.762 0.066 0.000 1.507 395 H HN 0.465 nan 8.280 nan 0.000 0.507 396 G N 1.805 110.709 108.800 0.173 0.000 2.699 396 G HA2 -0.432 3.097 3.960 -0.718 0.000 0.347 396 G HA3 -0.432 3.097 3.960 -0.718 0.000 0.347 396 G C 1.222 176.219 174.900 0.162 0.000 1.225 396 G CA 1.928 47.134 45.100 0.177 0.000 0.973 396 G HN 0.605 nan 8.290 nan 0.000 0.551 397 A N 0.085 122.987 122.820 0.136 0.000 2.430 397 A HA 0.601 4.490 4.320 -0.718 0.000 0.243 397 A C 0.566 178.226 177.584 0.125 0.000 1.254 397 A CA 1.355 53.471 52.037 0.131 0.000 0.914 397 A CB -0.022 19.058 19.000 0.133 0.000 0.998 397 A HN 1.552 nan 8.150 nan 0.000 0.515 398 N N -0.600 118.171 118.700 0.118 0.000 2.777 398 N HA 0.190 4.499 4.740 -0.718 0.000 0.260 398 N C -0.984 174.572 175.510 0.076 0.000 1.113 398 N CA -0.422 52.684 53.050 0.093 0.000 0.996 398 N CB 0.963 39.497 38.487 0.079 0.000 1.584 398 N HN 0.257 nan 8.380 nan 0.000 0.573 399 R N 3.713 124.222 120.500 0.015 0.000 2.490 399 R HA 0.459 4.368 4.340 -0.718 0.000 0.278 399 R C -0.531 175.744 176.300 -0.042 0.000 1.069 399 R CA -0.426 55.625 56.100 -0.081 0.000 1.080 399 R CB 0.591 30.578 30.300 -0.520 0.000 1.030 399 R HN 0.545 nan 8.270 nan 0.000 0.491 400 L N 2.745 123.984 121.223 0.027 0.000 2.375 400 L HA 0.313 4.222 4.340 -0.718 0.000 0.271 400 L C 1.018 177.935 176.870 0.078 0.000 1.107 400 L CA -0.581 54.300 54.840 0.070 0.000 0.806 400 L CB 1.289 43.432 42.059 0.140 0.000 1.146 400 L HN 0.857 nan 8.230 nan 0.000 0.447 401 G N 0.577 109.482 108.800 0.175 0.000 2.321 401 G HA2 0.309 3.838 3.960 -0.718 0.000 0.237 401 G HA3 0.309 3.838 3.960 -0.718 0.000 0.237 401 G C 0.983 176.003 174.900 0.200 0.000 1.282 401 G CA 0.430 45.758 45.100 0.379 0.000 0.886 401 G HN 1.072 nan 8.290 nan 0.000 0.528 402 G N 1.986 110.813 108.800 0.045 0.000 2.205 402 G HA2 -0.328 3.201 3.960 -0.718 0.000 0.261 402 G HA3 -0.328 3.201 3.960 -0.718 0.000 0.261 402 G C 1.219 176.107 174.900 -0.020 0.000 0.980 402 G CA 0.741 45.755 45.100 -0.142 0.000 0.632 402 G HN 0.692 nan 8.290 nan 0.000 0.533 403 N N 0.320 119.049 118.700 0.048 0.000 2.416 403 N HA 0.120 4.429 4.740 -0.718 0.000 0.177 403 N C 2.193 177.795 175.510 0.155 0.000 1.036 403 N CA 1.334 54.473 53.050 0.148 0.000 0.901 403 N CB -0.092 38.536 38.487 0.234 0.000 0.976 403 N HN 0.419 nan 8.380 nan 0.000 0.444 404 S N 0.388 116.086 115.700 -0.004 0.000 2.345 404 S HA 0.053 4.092 4.470 -0.718 0.000 0.220 404 S C 1.868 176.538 174.600 0.117 0.000 1.031 404 S CA 0.738 58.944 58.200 0.009 0.000 0.996 404 S CB -0.229 62.901 63.200 -0.118 0.000 0.882 404 S HN 0.224 nan 8.310 nan 0.000 0.445 405 L N 0.961 122.230 121.223 0.077 0.000 2.079 405 L HA -0.108 3.801 4.340 -0.718 0.000 0.210 405 L C 2.529 179.453 176.870 0.091 0.000 1.081 405 L CA 0.986 55.872 54.840 0.077 0.000 0.752 405 L CB -0.637 41.451 42.059 0.049 0.000 0.896 405 L HN 0.355 nan 8.230 nan 0.000 0.433 406 L N 0.436 121.717 121.223 0.096 0.000 2.042 406 L HA -0.267 3.642 4.340 -0.718 0.000 0.210 406 L C 2.232 179.174 176.870 0.120 0.000 1.076 406 L CA 2.056 56.952 54.840 0.093 0.000 0.749 406 L CB -0.638 41.493 42.059 0.120 0.000 0.893 406 L HN 0.285 nan 8.230 nan 0.000 0.432 407 D N -0.534 119.999 120.400 0.222 0.000 2.087 407 D HA -0.233 3.976 4.640 -0.718 0.000 0.192 407 D C 2.209 178.701 176.300 0.319 0.000 0.993 407 D CA 2.127 56.350 54.000 0.372 0.000 0.828 407 D CB -0.329 40.744 40.800 0.455 0.000 0.968 407 D HN 0.426 nan 8.370 nan 0.000 0.448 408 L N -0.047 121.312 121.223 0.226 0.000 1.991 408 L HA -0.262 3.648 4.340 -0.718 0.000 0.221 408 L C 2.818 179.759 176.870 0.118 0.000 1.079 408 L CA 1.542 56.479 54.840 0.162 0.000 0.778 408 L CB -0.968 41.157 42.059 0.110 0.000 0.893 408 L HN 0.053 nan 8.230 nan 0.000 0.437 409 V N -0.862 119.097 119.914 0.074 0.000 2.323 409 V HA -0.200 3.489 4.120 -0.718 0.000 0.244 409 V C 2.404 178.493 176.094 -0.008 0.000 1.041 409 V CA 1.408 63.724 62.300 0.027 0.000 1.025 409 V CB -0.085 31.744 31.823 0.011 0.000 0.656 409 V HN 0.190 nan 8.190 nan 0.000 0.451 410 V N -0.610 119.264 119.914 -0.065 0.000 2.295 410 V HA -0.227 3.462 4.120 -0.718 0.000 0.246 410 V C 2.149 178.116 176.094 -0.212 0.000 1.049 410 V CA 2.217 64.381 62.300 -0.226 0.000 1.024 410 V CB -0.695 30.852 31.823 -0.458 0.000 0.648 410 V HN 0.477 nan 8.190 nan 0.000 0.447 411 F N 0.859 120.878 119.950 0.115 0.000 2.512 411 F HA 0.203 4.299 4.527 -0.719 0.000 0.296 411 F C 2.258 178.097 175.800 0.066 0.000 1.110 411 F CA 0.795 58.853 58.000 0.097 0.000 1.446 411 F CB -1.121 37.920 39.000 0.068 0.000 1.092 411 F HN 0.152 nan 8.300 nan 0.000 0.554 412 G N 0.076 108.988 108.800 0.187 0.000 2.453 412 G HA2 -0.255 3.274 3.960 -0.718 0.000 0.215 412 G HA3 -0.255 3.274 3.960 -0.718 0.000 0.215 412 G C 1.811 176.747 174.900 0.060 0.000 1.201 412 G CA 0.685 45.846 45.100 0.102 0.000 0.784 412 G HN 0.208 nan 8.290 nan 0.000 0.545 413 R N 0.545 121.065 120.500 0.034 0.000 2.096 413 R HA -0.114 3.795 4.340 -0.718 0.000 0.240 413 R C 2.847 179.157 176.300 0.016 0.000 1.139 413 R CA 1.749 57.850 56.100 0.003 0.000 0.952 413 R CB -0.444 29.844 30.300 -0.021 0.000 0.854 413 R HN 0.310 nan 8.270 nan 0.000 0.436 414 A N 0.469 123.335 122.820 0.078 0.000 1.933 414 A HA -0.105 3.784 4.320 -0.718 0.000 0.218 414 A C 2.346 180.017 177.584 0.145 0.000 1.175 414 A CA 1.666 53.788 52.037 0.141 0.000 0.628 414 A CB -0.743 18.398 19.000 0.235 0.000 0.814 414 A HN 0.559 nan 8.150 nan 0.000 0.444 415 A N -0.541 122.362 122.820 0.138 0.000 1.908 415 A HA 0.089 3.978 4.320 -0.718 0.000 0.218 415 A C 2.365 179.953 177.584 0.007 0.000 1.181 415 A CA 2.037 54.138 52.037 0.107 0.000 0.627 415 A CB -1.255 17.795 19.000 0.084 0.000 0.818 415 A HN 0.696 nan 8.150 nan 0.000 0.445 416 G N -0.609 108.175 108.800 -0.027 0.000 2.395 416 G HA2 -0.059 3.470 3.960 -0.718 0.000 0.214 416 G HA3 -0.059 3.470 3.960 -0.718 0.000 0.214 416 G C 1.535 176.383 174.900 -0.086 0.000 1.177 416 G CA 0.755 45.813 45.100 -0.069 0.000 0.794 416 G HN 0.393 nan 8.290 nan 0.000 0.532 417 L N -0.039 121.110 121.223 -0.123 0.000 2.129 417 L HA -0.115 3.794 4.340 -0.718 0.000 0.212 417 L C 2.088 178.755 176.870 -0.338 0.000 1.087 417 L CA 1.006 55.694 54.840 -0.253 0.000 0.757 417 L CB -0.161 41.684 42.059 -0.356 0.000 0.896 417 L HN 0.295 nan 8.230 nan 0.000 0.434 418 H N -1.874 117.207 119.070 0.017 0.000 2.542 418 H HA 0.091 4.216 4.556 -0.718 0.000 0.283 418 H C 1.662 177.006 175.328 0.027 0.000 1.059 418 H CA -0.056 56.009 56.048 0.029 0.000 1.162 418 H CB 0.713 30.503 29.762 0.047 0.000 1.539 418 H HN 0.203 nan 8.280 nan 0.000 0.543 419 L N 0.795 122.044 121.223 0.043 0.000 2.093 419 L HA -0.117 3.792 4.340 -0.718 0.000 0.208 419 L C 2.532 179.411 176.870 0.015 0.000 1.085 419 L CA 1.591 56.408 54.840 -0.038 0.000 0.755 419 L CB -0.175 41.785 42.059 -0.165 0.000 0.904 419 L HN 0.153 nan 8.230 nan 0.000 0.435 420 Q N -0.686 119.125 119.800 0.019 0.000 2.079 420 Q HA -0.242 3.667 4.340 -0.718 0.000 0.200 420 Q C 2.048 178.085 176.000 0.060 0.000 0.974 420 Q CA 1.945 57.765 55.803 0.029 0.000 0.840 420 Q CB 0.020 28.767 28.738 0.016 0.000 0.898 420 Q HN 0.605 nan 8.270 nan 0.000 0.430 421 E N -0.503 119.750 120.200 0.087 0.000 2.106 421 E HA -0.127 3.792 4.350 -0.718 0.000 0.192 421 E C 2.073 178.734 176.600 0.101 0.000 0.984 421 E CA 1.219 57.675 56.400 0.094 0.000 0.806 421 E CB 0.099 29.872 29.700 0.122 0.000 0.750 421 E HN 0.176 nan 8.360 nan 0.000 0.458 422 S N 0.577 116.364 115.700 0.145 0.000 2.382 422 S HA -0.114 3.925 4.470 -0.718 0.000 0.228 422 S C 1.965 176.674 174.600 0.183 0.000 1.027 422 S CA 0.729 59.045 58.200 0.194 0.000 0.991 422 S CB -0.083 63.354 63.200 0.394 0.000 0.823 422 S HN 0.196 nan 8.310 nan 0.000 0.469 423 I N 1.297 121.961 120.570 0.155 0.000 2.286 423 I HA -0.150 3.589 4.170 -0.718 0.000 0.245 423 I C 2.590 178.754 176.117 0.079 0.000 1.104 423 I CA 0.970 62.343 61.300 0.122 0.000 1.397 423 I CB -0.343 37.708 38.000 0.085 0.000 1.072 423 I HN 0.265 nan 8.210 nan 0.000 0.417 424 A N -0.053 122.805 122.820 0.063 0.000 1.933 424 A HA -0.262 3.627 4.320 -0.718 0.000 0.218 424 A C 2.307 179.915 177.584 0.040 0.000 1.175 424 A CA 1.811 53.875 52.037 0.045 0.000 0.628 424 A CB -0.607 18.416 19.000 0.039 0.000 0.814 424 A HN 0.504 nan 8.150 nan 0.000 0.444 425 E N 0.184 120.412 120.200 0.046 0.000 2.150 425 E HA -0.262 3.658 4.350 -0.718 0.000 0.193 425 E C 2.095 178.709 176.600 0.024 0.000 0.985 425 E CA 1.411 57.829 56.400 0.031 0.000 0.814 425 E CB -0.159 29.558 29.700 0.028 0.000 0.752 425 E HN 0.911 nan 8.360 nan 0.000 0.466 426 Q N -0.128 119.693 119.800 0.036 0.000 2.424 426 Q HA 0.152 4.061 4.340 -0.718 0.000 0.204 426 Q C 0.774 176.788 176.000 0.024 0.000 0.933 426 Q CA 0.553 56.370 55.803 0.023 0.000 0.929 426 Q CB 0.335 29.091 28.738 0.031 0.000 1.037 426 Q HN 0.177 nan 8.270 nan 0.000 0.511 427 G N 1.088 109.905 108.800 0.029 0.000 2.846 427 G HA2 -0.121 3.408 3.960 -0.718 0.000 0.660 427 G HA3 -0.121 3.408 3.960 -0.718 0.000 0.660 427 G C -0.238 174.680 174.900 0.029 0.000 1.464 427 G CA -0.451 44.664 45.100 0.025 0.000 0.891 427 G HN 0.805 nan 8.290 nan 0.000 0.552 428 A N 0.004 122.839 122.820 0.025 0.000 2.498 428 A HA 0.565 4.455 4.320 -0.718 0.000 0.239 428 A C 0.753 178.354 177.584 0.027 0.000 1.068 428 A CA 0.458 52.511 52.037 0.026 0.000 0.766 428 A CB 0.069 19.081 19.000 0.020 0.000 1.003 428 A HN 1.314 nan 8.150 nan 0.000 0.497 429 L N 2.421 123.664 121.223 0.034 0.000 2.309 429 L HA 0.475 4.384 4.340 -0.718 0.000 0.282 429 L C 0.945 177.836 176.870 0.034 0.000 1.036 429 L CA -0.654 54.207 54.840 0.035 0.000 0.806 429 L CB 1.243 43.330 42.059 0.048 0.000 1.220 429 L HN 0.875 nan 8.230 nan 0.000 0.429 430 R N 1.115 121.632 120.500 0.029 0.000 2.694 430 R HA 0.043 3.953 4.340 -0.718 0.000 0.268 430 R C -0.474 175.849 176.300 0.039 0.000 1.061 430 R CA -0.498 55.619 56.100 0.027 0.000 1.133 430 R CB 0.554 30.865 30.300 0.019 0.000 1.020 430 R HN 0.520 nan 8.270 nan 0.000 0.475 431 D N 0.939 121.362 120.400 0.039 0.000 2.382 431 D HA 0.106 4.315 4.640 -0.718 0.000 0.240 431 D C -0.519 175.813 176.300 0.053 0.000 1.146 431 D CA 0.376 54.410 54.000 0.057 0.000 0.897 431 D CB 1.075 41.905 40.800 0.049 0.000 1.197 431 D HN 0.605 nan 8.370 nan 0.000 0.432 432 A N 1.581 124.448 122.820 0.079 0.000 2.401 432 A HA 0.395 4.284 4.320 -0.718 0.000 0.259 432 A C 0.683 178.267 177.584 -0.000 0.000 1.103 432 A CA -0.388 51.661 52.037 0.019 0.000 0.789 432 A CB 0.157 19.135 19.000 -0.036 0.000 1.035 432 A HN 0.506 nan 8.150 nan 0.000 0.491 433 S N 1.016 116.702 115.700 -0.023 0.000 2.655 433 S HA 0.204 4.244 4.470 -0.718 0.000 0.265 433 S C 0.852 175.425 174.600 -0.045 0.000 1.240 433 S CA 0.287 58.474 58.200 -0.021 0.000 0.986 433 S CB 0.906 64.095 63.200 -0.018 0.000 0.985 433 S HN 0.788 nan 8.310 nan 0.000 0.562 434 E N 0.075 120.257 120.200 -0.030 0.000 2.274 434 E HA -0.104 3.815 4.350 -0.718 0.000 0.194 434 E C 1.738 178.310 176.600 -0.047 0.000 0.996 434 E CA 1.089 57.467 56.400 -0.037 0.000 0.840 434 E CB -0.163 29.528 29.700 -0.015 0.000 0.772 434 E HN 0.819 nan 8.360 nan 0.000 0.491 435 S N -0.076 115.601 115.700 -0.039 0.000 2.527 435 S HA -0.045 3.994 4.470 -0.718 0.000 0.222 435 S C 1.249 175.818 174.600 -0.052 0.000 0.985 435 S CA 0.447 58.624 58.200 -0.038 0.000 0.921 435 S CB 0.150 63.335 63.200 -0.026 0.000 0.772 435 S HN 0.141 nan 8.310 nan 0.000 0.529 436 D N 1.946 122.305 120.400 -0.068 0.000 2.149 436 D HA 0.009 4.218 4.640 -0.718 0.000 0.201 436 D C 2.025 178.247 176.300 -0.130 0.000 0.972 436 D CA 0.852 54.800 54.000 -0.085 0.000 0.835 436 D CB -0.261 40.487 40.800 -0.086 0.000 0.966 436 D HN 0.344 nan 8.370 nan 0.000 0.476 437 V N 0.835 120.640 119.914 -0.183 0.000 2.453 437 V HA -0.152 3.537 4.120 -0.718 0.000 0.247 437 V C 2.367 178.390 176.094 -0.120 0.000 1.048 437 V CA 1.136 63.287 62.300 -0.248 0.000 1.049 437 V CB -0.331 31.297 31.823 -0.325 0.000 0.672 437 V HN 0.033 nan 8.190 nan 0.000 0.457 438 E N 1.397 121.551 120.200 -0.077 0.000 2.070 438 E HA -0.247 3.672 4.350 -0.718 0.000 0.197 438 E C 2.169 178.753 176.600 -0.026 0.000 1.004 438 E CA 1.928 58.306 56.400 -0.037 0.000 0.805 438 E CB -0.620 29.062 29.700 -0.029 0.000 0.744 438 E HN 0.513 nan 8.360 nan 0.000 0.451 439 A N -0.306 122.494 122.820 -0.034 0.000 2.024 439 A HA -0.164 3.725 4.320 -0.718 0.000 0.220 439 A C 2.302 179.880 177.584 -0.010 0.000 1.164 439 A CA 1.887 53.911 52.037 -0.021 0.000 0.643 439 A CB -0.508 18.476 19.000 -0.027 0.000 0.806 439 A HN 0.290 nan 8.150 nan 0.000 0.451 440 S N -0.241 115.449 115.700 -0.016 0.000 2.461 440 S HA 0.069 4.108 4.470 -0.718 0.000 0.228 440 S C 1.353 175.975 174.600 0.036 0.000 1.005 440 S CA 0.869 59.073 58.200 0.007 0.000 0.942 440 S CB -0.226 62.972 63.200 -0.004 0.000 0.776 440 S HN 0.539 nan 8.310 nan 0.000 0.514 441 L N 1.033 122.275 121.223 0.030 0.000 2.592 441 L HA 0.145 4.054 4.340 -0.718 0.000 0.227 441 L C 1.407 178.309 176.870 0.053 0.000 1.127 441 L CA 0.071 54.943 54.840 0.053 0.000 0.884 441 L CB -0.380 41.706 42.059 0.045 0.000 1.065 441 L HN 0.061 nan 8.230 nan 0.000 0.457 442 D N 1.004 121.426 120.400 0.037 0.000 2.116 442 D HA -0.228 3.981 4.640 -0.718 0.000 0.193 442 D C 2.229 178.556 176.300 0.044 0.000 0.998 442 D CA 1.280 55.296 54.000 0.027 0.000 0.836 442 D CB 0.063 40.868 40.800 0.010 0.000 0.951 442 D HN 0.161 nan 8.370 nan 0.000 0.449 443 R N -0.131 120.412 120.500 0.073 0.000 2.096 443 R HA -0.117 3.792 4.340 -0.718 0.000 0.235 443 R C 2.257 178.691 176.300 0.223 0.000 1.127 443 R CA 0.897 57.068 56.100 0.119 0.000 0.968 443 R CB -0.284 30.106 30.300 0.150 0.000 0.861 443 R HN 0.205 nan 8.270 nan 0.000 0.440 444 L N 0.918 122.260 121.223 0.198 0.000 2.095 444 L HA -0.044 3.866 4.340 -0.718 0.000 0.204 444 L C 1.474 178.452 176.870 0.180 0.000 1.080 444 L CA 1.704 56.675 54.840 0.219 0.000 0.759 444 L CB -0.599 41.541 42.059 0.135 0.000 0.914 444 L HN 0.130 nan 8.230 nan 0.000 0.439 445 N N 0.311 119.076 118.700 0.108 0.000 2.137 445 N HA -0.252 4.057 4.740 -0.718 0.000 0.190 445 N C 1.973 177.517 175.510 0.056 0.000 1.017 445 N CA 1.472 54.564 53.050 0.070 0.000 0.859 445 N CB -0.403 38.108 38.487 0.039 0.000 1.002 445 N HN 0.434 nan 8.380 nan 0.000 0.428 446 R N -0.171 120.348 120.500 0.032 0.000 2.082 446 R HA -0.155 3.754 4.340 -0.718 0.000 0.234 446 R C 2.056 178.328 176.300 -0.046 0.000 1.136 446 R CA 1.721 57.781 56.100 -0.067 0.000 0.935 446 R CB -0.346 29.843 30.300 -0.186 0.000 0.842 446 R HN 0.266 nan 8.270 nan 0.000 0.430 447 W N 1.206 122.495 121.300 -0.017 0.000 2.358 447 W HA -0.127 4.102 4.660 -0.719 0.000 0.303 447 W C 2.128 178.633 176.519 -0.023 0.000 1.208 447 W CA 0.723 58.053 57.345 -0.024 0.000 1.274 447 W CB -0.437 29.004 29.460 -0.032 0.000 1.138 447 W HN 0.225 nan 8.180 nan 0.000 0.515 448 N N 0.047 118.881 118.700 0.223 0.000 2.272 448 N HA -0.159 4.150 4.740 -0.718 0.000 0.185 448 N C 1.115 176.671 175.510 0.076 0.000 1.014 448 N CA 1.229 54.350 53.050 0.119 0.000 0.870 448 N CB -0.633 37.902 38.487 0.081 0.000 0.975 448 N HN 0.300 nan 8.380 nan 0.000 0.433 449 N N 0.569 119.302 118.700 0.056 0.000 2.392 449 N HA -0.050 4.259 4.740 -0.718 0.000 0.177 449 N C 0.053 175.569 175.510 0.010 0.000 1.066 449 N CA 0.121 53.184 53.050 0.021 0.000 0.895 449 N CB -0.049 38.440 38.487 0.003 0.000 0.988 449 N HN 0.158 nan 8.380 nan 0.000 0.457 450 N N 1.985 120.692 118.700 0.010 0.000 2.521 450 N HA 0.086 4.395 4.740 -0.718 0.000 0.236 450 N C 0.604 176.130 175.510 0.026 0.000 1.067 450 N CA -0.056 52.986 53.050 -0.012 0.000 0.939 450 N CB 0.476 38.913 38.487 -0.083 0.000 1.201 450 N HN -0.018 nan 8.380 nan 0.000 0.511 451 R N 2.080 122.591 120.500 0.017 0.000 2.156 451 R HA 0.164 4.073 4.340 -0.718 0.000 0.207 451 R C 0.315 176.625 176.300 0.018 0.000 1.040 451 R CA 0.484 56.599 56.100 0.025 0.000 1.013 451 R CB 0.157 30.468 30.300 0.018 0.000 0.931 451 R HN 0.482 nan 8.270 nan 0.000 0.465 452 N N 0.279 118.981 118.700 0.003 0.000 2.203 452 N HA 0.070 4.379 4.740 -0.718 0.000 0.207 452 N C 0.782 176.288 175.510 -0.006 0.000 1.130 452 N CA 0.167 53.217 53.050 0.000 0.000 0.861 452 N CB 0.787 39.271 38.487 -0.005 0.000 1.005 452 N HN 0.126 nan 8.380 nan 0.000 0.507 453 G N 0.292 109.084 108.800 -0.013 0.000 2.481 453 G HA2 0.086 3.615 3.960 -0.718 0.000 0.251 453 G HA3 0.086 3.615 3.960 -0.718 0.000 0.251 453 G C 0.155 175.050 174.900 -0.008 0.000 1.492 453 G CA -0.313 44.771 45.100 -0.027 0.000 1.060 453 G HN 0.091 nan 8.290 nan 0.000 0.553 454 E N -0.158 120.033 120.200 -0.014 0.000 2.349 454 E HA 0.147 4.067 4.350 -0.718 0.000 0.262 454 E C -0.908 175.714 176.600 0.036 0.000 1.088 454 E CA -0.485 55.919 56.400 0.005 0.000 0.899 454 E CB 1.123 30.820 29.700 -0.004 0.000 1.044 454 E HN 0.357 nan 8.360 nan 0.000 0.420 455 D N 2.045 122.467 120.400 0.037 0.000 2.358 455 D HA 0.027 4.237 4.640 -0.718 0.000 0.258 455 D C -1.590 174.751 176.300 0.068 0.000 1.223 455 D CA -2.001 52.030 54.000 0.051 0.000 0.886 455 D CB 0.961 41.781 40.800 0.033 0.000 1.120 455 D HN 0.065 nan 8.370 nan 0.000 0.482 456 P HA -0.108 nan 4.420 nan 0.000 0.222 456 P C 1.553 178.891 177.300 0.063 0.000 1.153 456 P CA 0.237 63.412 63.100 0.125 0.000 0.798 456 P CB 0.351 32.160 31.700 0.181 0.000 0.796 457 V N 1.333 121.269 119.914 0.038 0.000 2.255 457 V HA -0.285 3.404 4.120 -0.718 0.000 0.247 457 V C 2.814 178.920 176.094 0.020 0.000 1.051 457 V CA 2.461 64.772 62.300 0.018 0.000 1.018 457 V CB -1.750 30.079 31.823 0.010 0.000 0.641 457 V HN 0.122 nan 8.190 nan 0.000 0.445 458 A N -0.014 122.820 122.820 0.023 0.000 1.865 458 A HA -0.219 3.670 4.320 -0.718 0.000 0.217 458 A C 2.190 179.785 177.584 0.019 0.000 1.191 458 A CA 2.232 54.281 52.037 0.020 0.000 0.623 458 A CB -0.661 18.351 19.000 0.020 0.000 0.826 458 A HN 0.503 nan 8.150 nan 0.000 0.444 459 I N -0.591 119.996 120.570 0.028 0.000 2.151 459 I HA -0.339 3.400 4.170 -0.718 0.000 0.243 459 I C 2.764 178.893 176.117 0.019 0.000 1.080 459 I CA 2.060 63.377 61.300 0.028 0.000 1.339 459 I CB -0.394 37.634 38.000 0.046 0.000 1.039 459 I HN 0.477 nan 8.210 nan 0.000 0.409 460 R N 1.737 122.250 120.500 0.021 0.000 2.081 460 R HA -0.198 3.711 4.340 -0.718 0.000 0.235 460 R C 2.199 178.494 176.300 -0.008 0.000 1.131 460 R CA 1.650 57.754 56.100 0.006 0.000 0.960 460 R CB -0.154 30.150 30.300 0.006 0.000 0.856 460 R HN 0.307 nan 8.270 nan 0.000 0.436 461 K N 0.144 120.543 120.400 -0.002 0.000 2.097 461 K HA -0.063 3.826 4.320 -0.718 0.000 0.205 461 K C 2.190 178.777 176.600 -0.021 0.000 1.050 461 K CA 1.299 57.581 56.287 -0.007 0.000 0.938 461 K CB -0.141 32.361 32.500 0.003 0.000 0.718 461 K HN 0.272 nan 8.250 nan 0.000 0.442 462 A N 1.845 124.657 122.820 -0.013 0.000 1.902 462 A HA -0.157 3.733 4.320 -0.718 0.000 0.217 462 A C 2.146 179.712 177.584 -0.031 0.000 1.181 462 A CA 1.155 53.182 52.037 -0.017 0.000 0.623 462 A CB -0.632 18.368 19.000 -0.000 0.000 0.818 462 A HN 0.312 nan 8.150 nan 0.000 0.443 463 L N -0.635 120.570 121.223 -0.030 0.000 1.994 463 L HA -0.285 3.624 4.340 -0.718 0.000 0.208 463 L C 2.723 179.538 176.870 -0.092 0.000 1.071 463 L CA 2.224 57.035 54.840 -0.049 0.000 0.745 463 L CB -0.455 41.577 42.059 -0.044 0.000 0.892 463 L HN 0.483 nan 8.230 nan 0.000 0.431 464 Q N -0.409 119.335 119.800 -0.094 0.000 2.124 464 Q HA -0.299 3.610 4.340 -0.718 0.000 0.202 464 Q C 2.038 177.972 176.000 -0.109 0.000 0.977 464 Q CA 2.024 57.757 55.803 -0.116 0.000 0.850 464 Q CB -0.202 28.498 28.738 -0.063 0.000 0.901 464 Q HN 0.630 nan 8.270 nan 0.000 0.429 465 E N 0.243 120.371 120.200 -0.119 0.000 2.058 465 E HA -0.249 3.670 4.350 -0.718 0.000 0.194 465 E C 2.072 178.516 176.600 -0.259 0.000 0.997 465 E CA 1.416 57.675 56.400 -0.235 0.000 0.801 465 E CB -0.294 29.283 29.700 -0.205 0.000 0.746 465 E HN 0.415 nan 8.360 nan 0.000 0.450 466 C N 0.571 119.803 119.300 -0.114 0.000 2.413 466 C HA -0.134 3.895 4.460 -0.718 0.000 0.276 466 C C 2.633 177.671 174.990 0.079 0.000 1.236 466 C CA 1.126 60.136 59.018 -0.013 0.000 1.735 466 C CB -0.844 26.918 27.740 0.037 0.000 2.031 466 C HN 0.564 nan 8.230 nan 0.000 0.474 467 M N 0.108 119.716 119.600 0.014 0.000 2.229 467 M HA -0.087 3.962 4.480 -0.718 0.000 0.264 467 M C 2.069 178.506 176.300 0.227 0.000 1.063 467 M CA 1.501 56.826 55.300 0.042 0.000 1.114 467 M CB -1.622 30.649 32.600 -0.548 0.000 1.387 467 M HN 0.488 nan 8.290 nan 0.000 0.420 468 Q N 0.067 119.968 119.800 0.168 0.000 2.046 468 Q HA -0.121 3.788 4.340 -0.718 0.000 0.200 468 Q C 1.817 177.999 176.000 0.303 0.000 0.975 468 Q CA 1.888 57.874 55.803 0.306 0.000 0.836 468 Q CB -0.274 28.565 28.738 0.169 0.000 0.896 468 Q HN 0.662 nan 8.270 nan 0.000 0.428 469 H N -1.321 117.815 119.070 0.110 0.000 2.436 469 H HA 0.111 4.236 4.556 -0.718 0.000 0.294 469 H C 0.995 176.312 175.328 -0.020 0.000 1.048 469 H CA 0.683 56.758 56.048 0.046 0.000 1.353 469 H CB 0.438 30.218 29.762 0.030 0.000 1.414 469 H HN 0.252 nan 8.280 nan 0.000 0.536 470 N N -0.128 118.603 118.700 0.052 0.000 2.282 470 N HA 0.017 4.326 4.740 -0.718 0.000 0.185 470 N C -0.341 174.790 175.510 -0.632 0.000 1.099 470 N CA 0.473 53.335 53.050 -0.313 0.000 0.878 470 N CB 0.737 38.944 38.487 -0.466 0.000 0.993 470 N HN 0.218 nan 8.380 nan 0.000 0.481 471 F N -0.220 119.807 119.950 0.129 0.000 2.777 471 F HA 0.342 4.438 4.527 -0.718 0.000 0.361 471 F C 0.978 176.932 175.800 0.256 0.000 1.254 471 F CA -0.523 57.578 58.000 0.168 0.000 1.181 471 F CB 0.197 39.284 39.000 0.145 0.000 1.082 471 F HN -0.239 nan 8.300 nan 0.000 0.510 472 S N -0.391 115.431 115.700 0.203 0.000 2.393 472 S HA 0.254 4.293 4.470 -0.718 0.000 0.255 472 S C 1.796 176.123 174.600 -0.456 0.000 1.210 472 S CA -0.036 58.105 58.200 -0.098 0.000 1.013 472 S CB 0.431 63.562 63.200 -0.116 0.000 1.055 472 S HN -0.026 nan 8.310 nan 0.000 0.483 473 V N 0.418 119.799 119.914 -0.887 0.000 2.252 473 V HA -0.078 3.611 4.120 -0.718 0.000 0.249 473 V C 0.614 176.323 176.094 -0.642 0.000 1.056 473 V CA 1.601 63.384 62.300 -0.862 0.000 1.022 473 V CB -0.791 30.517 31.823 -0.858 0.000 0.641 473 V HN 0.565 nan 8.190 nan 0.000 0.445 474 F N -0.461 119.303 119.950 -0.310 0.000 2.421 474 F HA 0.669 4.745 4.527 -0.750 0.000 0.337 474 F C 0.489 176.026 175.800 -0.439 0.000 1.105 474 F CA -0.683 57.064 58.000 -0.422 0.000 1.049 474 F CB 1.106 39.826 39.000 -0.466 0.000 1.139 474 F HN -0.099 nan 8.300 nan 0.000 0.479 475 R N 1.286 121.591 120.500 -0.324 0.000 2.837 475 R HA 0.642 4.551 4.340 -0.718 0.000 0.271 475 R C -1.209 174.915 176.300 -0.294 0.000 0.993 475 R CA -1.161 54.784 56.100 -0.258 0.000 0.931 475 R CB 2.846 33.071 30.300 -0.125 0.000 1.206 475 R HN 0.778 nan 8.270 nan 0.000 0.474 476 E N -0.603 119.506 120.200 -0.152 0.000 2.408 476 E HA 0.343 4.262 4.350 -0.718 0.000 0.275 476 E C 0.135 176.739 176.600 0.007 0.000 0.935 476 E CA -0.998 55.383 56.400 -0.032 0.000 0.775 476 E CB 1.569 31.301 29.700 0.054 0.000 1.277 476 E HN 0.494 nan 8.360 nan 0.000 0.455 477 G N 1.827 110.673 108.800 0.077 0.000 2.529 477 G HA2 -0.350 3.179 3.960 -0.718 0.000 0.219 477 G HA3 -0.350 3.179 3.960 -0.718 0.000 0.219 477 G C 0.749 175.682 174.900 0.054 0.000 1.177 477 G CA 1.577 46.736 45.100 0.098 0.000 0.773 477 G HN 0.634 nan 8.290 nan 0.000 0.573 478 D N 0.847 121.272 120.400 0.041 0.000 2.092 478 D HA -0.038 4.171 4.640 -0.718 0.000 0.193 478 D C 2.847 179.142 176.300 -0.008 0.000 0.994 478 D CA 1.519 55.534 54.000 0.025 0.000 0.828 478 D CB -0.661 40.154 40.800 0.025 0.000 0.963 478 D HN 0.319 nan 8.370 nan 0.000 0.450 479 A N 0.571 123.365 122.820 -0.044 0.000 1.873 479 A HA -0.237 3.652 4.320 -0.718 0.000 0.218 479 A C 2.256 179.724 177.584 -0.194 0.000 1.193 479 A CA 2.015 53.984 52.037 -0.114 0.000 0.629 479 A CB -0.660 18.247 19.000 -0.156 0.000 0.826 479 A HN 0.198 nan 8.150 nan 0.000 0.447 480 M N -0.925 118.547 119.600 -0.214 0.000 2.254 480 M HA -0.052 3.997 4.480 -0.718 0.000 0.265 480 M C 2.451 178.779 176.300 0.046 0.000 1.066 480 M CA 1.200 56.362 55.300 -0.231 0.000 1.123 480 M CB -0.358 32.206 32.600 -0.060 0.000 1.388 480 M HN 0.487 nan 8.290 nan 0.000 0.425 481 A N 0.300 123.150 122.820 0.050 0.000 1.968 481 A HA -0.113 3.776 4.320 -0.718 0.000 0.217 481 A C 2.124 179.753 177.584 0.076 0.000 1.169 481 A CA 1.451 53.538 52.037 0.083 0.000 0.638 481 A CB -0.319 18.727 19.000 0.077 0.000 0.812 481 A HN 0.347 nan 8.150 nan 0.000 0.446 482 K N -0.649 119.778 120.400 0.046 0.000 2.076 482 K HA 0.022 3.911 4.320 -0.718 0.000 0.204 482 K C 2.122 178.765 176.600 0.072 0.000 1.051 482 K CA 0.928 57.245 56.287 0.050 0.000 0.949 482 K CB -0.430 32.087 32.500 0.029 0.000 0.726 482 K HN 0.403 nan 8.250 nan 0.000 0.443 483 G N 1.608 110.444 108.800 0.061 0.000 2.514 483 G HA2 -0.304 3.226 3.960 -0.718 0.000 0.217 483 G HA3 -0.304 3.226 3.960 -0.718 0.000 0.217 483 G C 1.380 176.419 174.900 0.232 0.000 1.198 483 G CA 1.126 46.321 45.100 0.159 0.000 0.780 483 G HN 0.245 nan 8.290 nan 0.000 0.565 484 L N 0.564 121.942 121.223 0.259 0.000 2.043 484 L HA -0.097 3.812 4.340 -0.718 0.000 0.212 484 L C 2.658 179.614 176.870 0.144 0.000 1.075 484 L CA 2.222 57.161 54.840 0.164 0.000 0.752 484 L CB -0.422 41.709 42.059 0.121 0.000 0.891 484 L HN 0.139 nan 8.230 nan 0.000 0.432 485 E N -0.334 119.940 120.200 0.123 0.000 2.077 485 E HA -0.252 3.667 4.350 -0.718 0.000 0.193 485 E C 2.231 178.892 176.600 0.102 0.000 0.989 485 E CA 1.449 57.913 56.400 0.107 0.000 0.800 485 E CB -0.319 29.430 29.700 0.083 0.000 0.746 485 E HN 0.677 nan 8.360 nan 0.000 0.452 486 Q N 0.004 119.863 119.800 0.099 0.000 2.167 486 Q HA -0.042 3.867 4.340 -0.718 0.000 0.202 486 Q C 2.403 178.457 176.000 0.089 0.000 0.970 486 Q CA 0.720 56.573 55.803 0.083 0.000 0.855 486 Q CB -0.049 28.736 28.738 0.078 0.000 0.911 486 Q HN 0.242 nan 8.270 nan 0.000 0.438 487 L N 0.483 121.779 121.223 0.123 0.000 2.027 487 L HA -0.213 3.696 4.340 -0.718 0.000 0.206 487 L C 2.217 179.174 176.870 0.145 0.000 1.074 487 L CA 1.276 56.200 54.840 0.141 0.000 0.745 487 L CB -0.316 41.852 42.059 0.183 0.000 0.898 487 L HN 0.154 nan 8.230 nan 0.000 0.433 488 K N -0.426 120.081 120.400 0.179 0.000 2.074 488 K HA -0.195 3.694 4.320 -0.718 0.000 0.209 488 K C 1.978 178.607 176.600 0.048 0.000 1.048 488 K CA 1.513 57.871 56.287 0.117 0.000 0.926 488 K CB -0.409 32.173 32.500 0.136 0.000 0.713 488 K HN 0.127 nan 8.250 nan 0.000 0.444 489 V N 1.695 121.641 119.914 0.054 0.000 2.295 489 V HA -0.241 3.448 4.120 -0.718 0.000 0.246 489 V C 2.208 178.313 176.094 0.018 0.000 1.049 489 V CA 1.664 63.983 62.300 0.031 0.000 1.024 489 V CB -0.380 31.465 31.823 0.036 0.000 0.648 489 V HN 0.269 nan 8.190 nan 0.000 0.447 490 I N -0.368 120.219 120.570 0.028 0.000 2.286 490 I HA -0.244 3.495 4.170 -0.718 0.000 0.248 490 I C 2.735 178.852 176.117 0.000 0.000 1.115 490 I CA 1.587 62.898 61.300 0.017 0.000 1.392 490 I CB -0.401 37.613 38.000 0.024 0.000 1.065 490 I HN 0.201 nan 8.210 nan 0.000 0.418 491 R N 0.646 121.141 120.500 -0.008 0.000 2.148 491 R HA -0.152 3.757 4.340 -0.718 0.000 0.227 491 R C 1.977 178.241 176.300 -0.059 0.000 1.103 491 R CA 1.105 57.178 56.100 -0.046 0.000 0.983 491 R CB 0.050 30.291 30.300 -0.099 0.000 0.874 491 R HN 0.269 nan 8.270 nan 0.000 0.451 492 E N 0.818 120.992 120.200 -0.043 0.000 2.072 492 E HA -0.134 3.785 4.350 -0.718 0.000 0.191 492 E C 2.055 178.623 176.600 -0.053 0.000 0.985 492 E CA 1.046 57.416 56.400 -0.048 0.000 0.801 492 E CB -0.131 29.551 29.700 -0.030 0.000 0.750 492 E HN 0.341 nan 8.360 nan 0.000 0.452 493 R N 0.305 120.783 120.500 -0.037 0.000 2.091 493 R HA -0.146 3.763 4.340 -0.718 0.000 0.238 493 R C 2.404 178.669 176.300 -0.059 0.000 1.136 493 R CA 1.071 57.150 56.100 -0.036 0.000 0.959 493 R CB -0.458 29.834 30.300 -0.013 0.000 0.856 493 R HN 0.087 nan 8.270 nan 0.000 0.437 494 L N 1.566 122.756 121.223 -0.056 0.000 2.093 494 L HA -0.129 3.780 4.340 -0.718 0.000 0.208 494 L C 1.540 178.295 176.870 -0.190 0.000 1.085 494 L CA 1.808 56.603 54.840 -0.075 0.000 0.755 494 L CB -0.177 41.871 42.059 -0.019 0.000 0.904 494 L HN -0.044 nan 8.230 nan 0.000 0.435 495 K N -0.812 119.490 120.400 -0.164 0.000 2.442 495 K HA -0.113 3.776 4.320 -0.718 0.000 0.198 495 K C 0.868 177.327 176.600 -0.236 0.000 1.042 495 K CA 1.075 57.240 56.287 -0.204 0.000 0.958 495 K CB -0.153 32.264 32.500 -0.139 0.000 0.766 495 K HN 0.369 nan 8.250 nan 0.000 0.474 496 N N -0.259 118.319 118.700 -0.203 0.000 2.238 496 N HA 0.136 4.445 4.740 -0.718 0.000 0.235 496 N C -1.058 174.340 175.510 -0.187 0.000 1.209 496 N CA -0.247 52.696 53.050 -0.178 0.000 0.879 496 N CB 0.773 39.196 38.487 -0.106 0.000 1.136 496 N HN 0.061 nan 8.380 nan 0.000 0.517 497 A N 0.905 123.553 122.820 -0.286 0.000 2.322 497 A HA 0.530 4.419 4.320 -0.718 0.000 0.269 497 A C 0.119 177.599 177.584 -0.173 0.000 1.094 497 A CA -0.460 51.467 52.037 -0.184 0.000 0.807 497 A CB 0.370 19.299 19.000 -0.119 0.000 1.047 497 A HN 0.518 nan 8.150 nan 0.000 0.487 498 R N 1.100 121.656 120.500 0.092 0.000 2.532 498 R HA 0.668 4.577 4.340 -0.718 0.000 0.295 498 R C -1.299 175.199 176.300 0.331 0.000 0.968 498 R CA -0.734 55.460 56.100 0.157 0.000 0.916 498 R CB 1.018 31.366 30.300 0.079 0.000 1.124 498 R HN 0.474 nan 8.270 nan 0.000 0.463 499 L N 3.158 124.578 121.223 0.329 0.000 2.257 499 L HA 0.281 4.191 4.340 -0.718 0.000 0.290 499 L C -0.256 176.674 176.870 0.100 0.000 1.044 499 L CA 0.158 55.133 54.840 0.224 0.000 0.810 499 L CB 1.222 43.420 42.059 0.232 0.000 1.193 499 L HN 0.770 nan 8.230 nan 0.000 0.425 500 D N 1.741 122.173 120.400 0.053 0.000 2.354 500 D HA 0.013 4.222 4.640 -0.718 0.000 0.209 500 D C -0.343 175.962 176.300 0.008 0.000 1.015 500 D CA 0.597 54.614 54.000 0.028 0.000 0.867 500 D CB 0.375 41.187 40.800 0.020 0.000 0.933 500 D HN 0.546 nan 8.370 nan 0.000 0.520 501 D N 0.075 120.470 120.400 -0.009 0.000 2.373 501 D HA 0.049 4.259 4.640 -0.718 0.000 0.227 501 D C 0.902 177.193 176.300 -0.015 0.000 1.091 501 D CA -0.069 53.920 54.000 -0.017 0.000 0.840 501 D CB 1.522 42.301 40.800 -0.035 0.000 1.060 501 D HN -0.237 nan 8.370 nan 0.000 0.502 502 T N 1.408 115.960 114.554 -0.004 0.000 3.023 502 T HA -0.013 3.906 4.350 -0.718 0.000 0.266 502 T C 0.929 175.624 174.700 -0.007 0.000 1.093 502 T CA 0.618 62.719 62.100 0.001 0.000 1.129 502 T CB -0.004 68.869 68.868 0.008 0.000 0.899 502 T HN 0.476 nan 8.240 nan 0.000 0.491 503 S N 0.732 116.425 115.700 -0.012 0.000 2.606 503 S HA 0.249 4.288 4.470 -0.718 0.000 0.257 503 S C 1.301 175.888 174.600 -0.022 0.000 1.327 503 S CA 0.007 58.200 58.200 -0.011 0.000 0.984 503 S CB 1.149 64.347 63.200 -0.005 0.000 0.941 503 S HN 0.427 nan 8.310 nan 0.000 0.576 504 S N -1.628 114.062 115.700 -0.017 0.000 2.549 504 S HA 0.220 4.260 4.470 -0.718 0.000 0.225 504 S C 0.100 174.684 174.600 -0.026 0.000 1.039 504 S CA -0.238 57.944 58.200 -0.029 0.000 0.942 504 S CB -0.368 62.820 63.200 -0.019 0.000 0.881 504 S HN 0.767 nan 8.310 nan 0.000 0.503 505 E N 1.593 121.796 120.200 0.005 0.000 2.001 505 E HA 0.422 4.341 4.350 -0.718 0.000 0.279 505 E C -0.791 175.880 176.600 0.118 0.000 1.045 505 E CA -0.783 55.644 56.400 0.044 0.000 0.833 505 E CB -0.613 29.114 29.700 0.046 0.000 1.077 505 E HN 0.266 nan 8.360 nan 0.000 0.397 506 F N 3.666 123.578 119.950 -0.064 0.000 2.773 506 F HA -0.281 3.815 4.527 -0.718 0.000 0.251 506 F C -0.563 175.195 175.800 -0.070 0.000 1.020 506 F CA 0.451 58.411 58.000 -0.067 0.000 0.924 506 F CB -0.390 38.579 39.000 -0.051 0.000 0.919 506 F HN 0.482 nan 8.300 nan 0.000 0.846 507 N N 1.559 120.193 118.700 -0.110 0.000 2.558 507 N HA 0.165 4.474 4.740 -0.718 0.000 0.233 507 N C 1.130 176.532 175.510 -0.180 0.000 1.038 507 N CA 0.400 53.393 53.050 -0.095 0.000 0.934 507 N CB 0.936 39.362 38.487 -0.101 0.000 1.175 507 N HN 0.386 nan 8.380 nan 0.000 0.512 508 T N 0.403 114.889 114.554 -0.115 0.000 3.055 508 T HA -0.104 3.815 4.350 -0.718 0.000 0.265 508 T C 1.412 176.003 174.700 -0.181 0.000 1.111 508 T CA 0.714 62.722 62.100 -0.154 0.000 1.118 508 T CB 0.158 69.002 68.868 -0.040 0.000 0.909 508 T HN 0.359 nan 8.240 nan 0.000 0.501 509 Q N 1.885 121.590 119.800 -0.159 0.000 2.016 509 Q HA 0.042 3.951 4.340 -0.718 0.000 0.200 509 Q C 2.487 178.312 176.000 -0.291 0.000 0.978 509 Q CA 1.524 57.216 55.803 -0.185 0.000 0.833 509 Q CB -0.384 28.278 28.738 -0.127 0.000 0.895 509 Q HN 0.594 nan 8.270 nan 0.000 0.427 510 R N -0.680 119.650 120.500 -0.284 0.000 2.103 510 R HA -0.160 3.749 4.340 -0.718 0.000 0.242 510 R C 1.938 177.935 176.300 -0.505 0.000 1.142 510 R CA 1.756 57.633 56.100 -0.372 0.000 0.960 510 R CB -0.353 29.787 30.300 -0.267 0.000 0.858 510 R HN 0.262 nan 8.270 nan 0.000 0.439 511 V N 1.186 120.814 119.914 -0.475 0.000 2.295 511 V HA -0.212 3.477 4.120 -0.718 0.000 0.246 511 V C 2.014 177.773 176.094 -0.559 0.000 1.049 511 V CA 2.131 64.049 62.300 -0.636 0.000 1.024 511 V CB -0.471 31.034 31.823 -0.530 0.000 0.648 511 V HN 0.435 nan 8.190 nan 0.000 0.447 512 E N -1.007 118.957 120.200 -0.393 0.000 2.204 512 E HA -0.189 3.730 4.350 -0.718 0.000 0.194 512 E C 2.199 178.582 176.600 -0.363 0.000 0.989 512 E CA 1.402 57.624 56.400 -0.297 0.000 0.824 512 E CB -0.237 29.338 29.700 -0.208 0.000 0.756 512 E HN 0.612 nan 8.360 nan 0.000 0.477 513 C N 0.372 119.321 119.300 -0.584 0.000 2.466 513 C HA -0.029 4.000 4.460 -0.718 0.000 0.278 513 C C 2.504 176.985 174.990 -0.847 0.000 1.288 513 C CA 0.248 58.687 59.018 -0.966 0.000 1.722 513 C CB -0.735 25.927 27.740 -1.797 0.000 2.017 513 C HN 0.402 nan 8.230 nan 0.000 0.488 514 L N 0.636 121.413 121.223 -0.744 0.000 2.131 514 L HA -0.154 3.756 4.340 -0.718 0.000 0.210 514 L C 2.580 179.390 176.870 -0.099 0.000 1.092 514 L CA 1.480 56.103 54.840 -0.363 0.000 0.759 514 L CB -0.659 41.159 42.059 -0.402 0.000 0.903 514 L HN 0.450 nan 8.230 nan 0.000 0.435 515 E N -0.134 119.964 120.200 -0.171 0.000 2.106 515 E HA -0.243 3.676 4.350 -0.718 0.000 0.192 515 E C 2.095 178.703 176.600 0.012 0.000 0.984 515 E CA 0.873 57.272 56.400 -0.001 0.000 0.806 515 E CB -0.122 29.559 29.700 -0.031 0.000 0.750 515 E HN 0.233 nan 8.360 nan 0.000 0.458 516 L N 1.805 123.010 121.223 -0.030 0.000 2.079 516 L HA -0.194 3.715 4.340 -0.718 0.000 0.210 516 L C 1.436 178.367 176.870 0.102 0.000 1.081 516 L CA 1.834 56.696 54.840 0.037 0.000 0.752 516 L CB -0.363 41.730 42.059 0.057 0.000 0.896 516 L HN -0.009 nan 8.230 nan 0.000 0.433 517 D N -0.524 119.975 120.400 0.165 0.000 2.178 517 D HA -0.160 4.049 4.640 -0.718 0.000 0.201 517 D C 1.790 178.151 176.300 0.102 0.000 0.980 517 D CA 1.039 55.143 54.000 0.173 0.000 0.842 517 D CB -0.136 40.807 40.800 0.239 0.000 0.948 517 D HN 0.444 nan 8.370 nan 0.000 0.472 518 N N 0.327 119.083 118.700 0.093 0.000 2.207 518 N HA -0.010 4.299 4.740 -0.718 0.000 0.182 518 N C 2.169 177.704 175.510 0.041 0.000 1.020 518 N CA 0.152 53.243 53.050 0.068 0.000 0.858 518 N CB -0.348 38.186 38.487 0.079 0.000 0.991 518 N HN 0.214 nan 8.380 nan 0.000 0.427 519 L N 0.444 121.686 121.223 0.032 0.000 2.043 519 L HA -0.225 3.684 4.340 -0.718 0.000 0.212 519 L C 2.423 179.287 176.870 -0.012 0.000 1.075 519 L CA 1.214 56.053 54.840 -0.001 0.000 0.752 519 L CB -0.336 41.716 42.059 -0.012 0.000 0.891 519 L HN 0.161 nan 8.230 nan 0.000 0.432 520 M N -0.142 119.465 119.600 0.012 0.000 2.066 520 M HA -0.198 3.851 4.480 -0.718 0.000 0.259 520 M C 2.198 178.509 176.300 0.020 0.000 1.074 520 M CA 1.812 57.117 55.300 0.010 0.000 1.114 520 M CB -0.493 32.118 32.600 0.017 0.000 1.306 520 M HN 0.060 nan 8.290 nan 0.000 0.411 521 E N -0.469 119.745 120.200 0.022 0.000 2.130 521 E HA -0.191 3.728 4.350 -0.718 0.000 0.196 521 E C 2.022 178.636 176.600 0.022 0.000 0.998 521 E CA 2.078 58.498 56.400 0.033 0.000 0.806 521 E CB -0.909 28.816 29.700 0.041 0.000 0.738 521 E HN 0.609 nan 8.360 nan 0.000 0.459 522 T N 1.216 115.776 114.554 0.009 0.000 2.698 522 T HA -0.052 3.868 4.350 -0.718 0.000 0.260 522 T C 2.031 176.705 174.700 -0.044 0.000 1.044 522 T CA 1.550 63.651 62.100 0.003 0.000 1.149 522 T CB -0.366 68.530 68.868 0.047 0.000 0.864 522 T HN 0.304 nan 8.240 nan 0.000 0.419 523 A N 0.677 123.445 122.820 -0.088 0.000 1.927 523 A HA -0.195 3.694 4.320 -0.718 0.000 0.220 523 A C 2.117 179.573 177.584 -0.212 0.000 1.185 523 A CA 1.991 53.907 52.037 -0.201 0.000 0.639 523 A CB -1.200 17.678 19.000 -0.203 0.000 0.820 523 A HN 0.596 nan 8.150 nan 0.000 0.451 524 Y N 0.326 120.489 120.300 -0.228 0.000 2.145 524 Y HA -0.107 4.013 4.550 -0.717 0.000 0.286 524 Y C 2.713 178.394 175.900 -0.365 0.000 1.145 524 Y CA 1.503 59.460 58.100 -0.239 0.000 1.148 524 Y CB -0.509 37.859 38.460 -0.153 0.000 0.981 524 Y HN 0.311 nan 8.280 nan 0.000 0.507 525 A N -1.235 121.343 122.820 -0.404 0.000 1.969 525 A HA -0.140 3.749 4.320 -0.718 0.000 0.218 525 A C 2.210 179.516 177.584 -0.463 0.000 1.169 525 A CA 1.995 53.568 52.037 -0.774 0.000 0.635 525 A CB -1.214 17.327 19.000 -0.765 0.000 0.810 525 A HN 0.490 nan 8.150 nan 0.000 0.445 526 T N 0.285 114.666 114.554 -0.289 0.000 2.746 526 T HA -0.053 3.866 4.350 -0.718 0.000 0.267 526 T C 2.218 176.688 174.700 -0.383 0.000 1.039 526 T CA 1.622 63.614 62.100 -0.181 0.000 1.142 526 T CB -0.386 68.462 68.868 -0.033 0.000 0.866 526 T HN 0.594 nan 8.240 nan 0.000 0.444 527 A N 0.924 123.356 122.820 -0.648 0.000 1.855 527 A HA -0.028 3.861 4.320 -0.718 0.000 0.215 527 A C 2.583 179.979 177.584 -0.312 0.000 1.191 527 A CA 1.338 52.902 52.037 -0.789 0.000 0.613 527 A CB -1.040 17.494 19.000 -0.777 0.000 0.829 527 A HN 0.336 nan 8.150 nan 0.000 0.442 528 V N 0.194 119.866 119.914 -0.403 0.000 2.332 528 V HA -0.250 3.439 4.120 -0.718 0.000 0.248 528 V C 2.794 178.865 176.094 -0.038 0.000 1.055 528 V CA 2.406 64.578 62.300 -0.214 0.000 1.038 528 V CB -0.869 30.804 31.823 -0.250 0.000 0.651 528 V HN 0.560 nan 8.190 nan 0.000 0.450 529 S N 0.148 115.800 115.700 -0.078 0.000 2.355 529 S HA -0.115 3.924 4.470 -0.718 0.000 0.222 529 S C 2.217 176.843 174.600 0.044 0.000 1.031 529 S CA 1.340 59.559 58.200 0.032 0.000 0.993 529 S CB -0.476 62.713 63.200 -0.018 0.000 0.859 529 S HN 0.655 nan 8.310 nan 0.000 0.453 530 A N 2.383 125.215 122.820 0.019 0.000 1.969 530 A HA -0.108 3.781 4.320 -0.718 0.000 0.218 530 A C 1.958 179.669 177.584 0.211 0.000 1.169 530 A CA 1.193 53.292 52.037 0.103 0.000 0.635 530 A CB -0.598 18.622 19.000 0.366 0.000 0.810 530 A HN 0.433 nan 8.150 nan 0.000 0.445 531 N N -1.032 117.800 118.700 0.219 0.000 2.120 531 N HA -0.156 4.153 4.740 -0.718 0.000 0.188 531 N C 1.545 177.139 175.510 0.140 0.000 1.024 531 N CA 1.650 54.812 53.050 0.186 0.000 0.852 531 N CB -0.402 38.193 38.487 0.180 0.000 1.003 531 N HN 0.533 nan 8.380 nan 0.000 0.424 532 F N 1.968 121.914 119.950 -0.007 0.000 2.134 532 F HA -0.039 4.057 4.527 -0.718 0.000 0.299 532 F C 1.255 176.949 175.800 -0.177 0.000 1.097 532 F CA 0.870 58.868 58.000 -0.003 0.000 1.264 532 F CB -0.118 38.920 39.000 0.063 0.000 1.001 532 F HN -0.187 nan 8.300 nan 0.000 0.479 533 R N 1.441 121.656 120.500 -0.474 0.000 2.272 533 R HA 0.105 4.014 4.340 -0.718 0.000 0.334 533 R C -0.441 175.298 176.300 -0.935 0.000 1.117 533 R CA 0.409 55.811 56.100 -1.164 0.000 0.966 533 R CB -0.260 29.556 30.300 -0.808 0.000 1.049 533 R HN 0.249 nan 8.270 nan 0.000 0.477 534 T N 1.846 115.632 114.554 -1.281 0.000 4.098 534 T HA 0.199 4.118 4.350 -0.718 0.000 0.291 534 T C -0.328 173.826 174.700 -0.910 0.000 1.440 534 T CA -0.547 60.856 62.100 -1.161 0.000 1.164 534 T CB -0.451 67.607 68.868 -1.350 0.000 1.313 534 T HN 0.768 nan 8.240 nan 0.000 0.951 535 E N -0.781 119.087 120.200 -0.553 0.000 2.432 535 E HA 0.573 4.492 4.350 -0.718 0.000 0.279 535 E C -1.609 174.929 176.600 -0.104 0.000 1.099 535 E CA -1.191 55.089 56.400 -0.199 0.000 0.859 535 E CB 0.499 30.067 29.700 -0.219 0.000 1.402 535 E HN 0.023 nan 8.360 nan 0.000 0.451 536 S N 0.026 115.722 115.700 -0.006 0.000 2.478 536 S HA 0.684 4.723 4.470 -0.718 0.000 0.312 536 S C -1.006 173.633 174.600 0.064 0.000 1.094 536 S CA -0.749 57.442 58.200 -0.014 0.000 1.081 536 S CB 0.995 64.204 63.200 0.016 0.000 1.007 536 S HN 0.485 nan 8.310 nan 0.000 0.475 537 R N 1.706 122.266 120.500 0.099 0.000 2.535 537 R HA 0.524 4.434 4.340 -0.718 0.000 0.274 537 R C 0.646 177.032 176.300 0.143 0.000 1.090 537 R CA 0.307 56.486 56.100 0.131 0.000 0.930 537 R CB 0.895 31.279 30.300 0.140 0.000 1.223 537 R HN 0.887 nan 8.270 nan 0.000 0.441 538 G N 2.343 111.224 108.800 0.134 0.000 2.651 538 G HA2 -0.475 3.054 3.960 -0.718 0.000 0.315 538 G HA3 -0.475 3.054 3.960 -0.718 0.000 0.315 538 G C 0.833 175.800 174.900 0.111 0.000 1.258 538 G CA 0.918 46.093 45.100 0.126 0.000 1.002 538 G HN 0.912 nan 8.290 nan 0.000 0.551 539 A N -0.797 122.104 122.820 0.135 0.000 1.968 539 A HA 0.200 4.089 4.320 -0.718 0.000 0.217 539 A C 1.371 179.043 177.584 0.147 0.000 1.169 539 A CA 2.003 54.125 52.037 0.142 0.000 0.638 539 A CB -0.460 18.668 19.000 0.214 0.000 0.812 539 A HN 1.470 nan 8.150 nan 0.000 0.446 540 H N 0.570 119.681 119.070 0.069 0.000 3.017 540 H HA 0.487 4.614 4.556 -0.716 0.000 0.276 540 H C -0.734 174.598 175.328 0.007 0.000 1.062 540 H CA 0.197 56.273 56.048 0.048 0.000 1.486 540 H CB 0.146 29.933 29.762 0.041 0.000 1.507 540 H HN 0.073 nan 8.280 nan 0.000 0.508 541 S N 5.799 121.317 115.700 -0.303 0.000 2.733 541 S HA 0.438 4.477 4.470 -0.718 0.000 0.307 541 S C -0.659 173.760 174.600 -0.302 0.000 1.127 541 S CA -0.802 57.253 58.200 -0.242 0.000 1.097 541 S CB 0.130 63.234 63.200 -0.160 0.000 1.003 541 S HN 0.709 nan 8.310 nan 0.000 0.477 542 R N 3.319 123.662 120.500 -0.262 0.000 2.310 542 R HA 0.340 4.249 4.340 -0.718 0.000 0.324 542 R C 0.181 176.489 176.300 0.013 0.000 0.955 542 R CA -0.581 55.412 56.100 -0.179 0.000 0.830 542 R CB 0.614 30.858 30.300 -0.092 0.000 1.154 542 R HN 0.506 nan 8.270 nan 0.000 0.458 543 F N 1.938 121.907 119.950 0.032 0.000 2.091 543 F HA -0.264 3.825 4.527 -0.730 0.000 0.299 543 F C 2.262 178.044 175.800 -0.030 0.000 1.103 543 F CA 1.655 59.648 58.000 -0.010 0.000 1.228 543 F CB -0.395 38.574 39.000 -0.051 0.000 0.984 543 F HN 0.578 nan 8.300 nan 0.000 0.477 544 D N -1.115 119.386 120.400 0.168 0.000 2.310 544 D HA -0.201 4.008 4.640 -0.718 0.000 0.212 544 D C 0.143 176.257 176.300 -0.309 0.000 0.965 544 D CA 0.831 54.805 54.000 -0.043 0.000 0.879 544 D CB -0.711 40.083 40.800 -0.009 0.000 0.921 544 D HN 0.293 nan 8.370 nan 0.000 0.510 545 F N 0.308 120.275 119.950 0.028 0.000 2.809 545 F HA 0.286 4.381 4.527 -0.720 0.000 0.369 545 F C -1.893 173.915 175.800 0.012 0.000 1.225 545 F CA -1.874 56.134 58.000 0.014 0.000 1.201 545 F CB 2.210 41.197 39.000 -0.022 0.000 1.527 545 F HN -0.222 nan 8.300 nan 0.000 0.565 546 P HA 0.019 nan 4.420 nan 0.000 0.241 546 P C -0.338 177.036 177.300 0.123 0.000 1.191 546 P CA 0.656 63.838 63.100 0.137 0.000 0.771 546 P CB 0.429 32.203 31.700 0.123 0.000 0.929 547 D N 0.381 120.861 120.400 0.132 0.000 2.181 547 D HA 0.205 4.414 4.640 -0.718 0.000 0.248 547 D C 0.144 176.518 176.300 0.123 0.000 1.020 547 D CA -0.496 53.576 54.000 0.121 0.000 0.891 547 D CB 1.472 42.343 40.800 0.119 0.000 1.187 547 D HN -0.132 nan 8.370 nan 0.000 0.443 548 R N 1.187 121.755 120.500 0.113 0.000 2.389 548 R HA 0.101 4.010 4.340 -0.718 0.000 0.295 548 R C -0.740 175.641 176.300 0.134 0.000 1.075 548 R CA -0.207 55.965 56.100 0.120 0.000 1.005 548 R CB 0.448 30.816 30.300 0.114 0.000 0.987 548 R HN 0.254 nan 8.270 nan 0.000 0.452 549 D N 3.156 123.664 120.400 0.179 0.000 2.432 549 D HA 0.113 4.323 4.640 -0.718 0.000 0.265 549 D C -0.421 175.992 176.300 0.189 0.000 1.160 549 D CA -0.489 53.634 54.000 0.206 0.000 0.911 549 D CB 1.069 42.053 40.800 0.308 0.000 1.052 549 D HN 0.425 nan 8.370 nan 0.000 0.508 550 D N 1.840 122.306 120.400 0.109 0.000 2.312 550 D HA -0.067 4.142 4.640 -0.718 0.000 0.211 550 D C 1.399 177.721 176.300 0.036 0.000 0.964 550 D CA 0.538 54.580 54.000 0.071 0.000 0.877 550 D CB 0.416 41.231 40.800 0.026 0.000 0.924 550 D HN 0.594 nan 8.370 nan 0.000 0.515 551 E N -0.013 120.206 120.200 0.032 0.000 2.152 551 E HA -0.040 3.880 4.350 -0.718 0.000 0.192 551 E C 1.168 177.724 176.600 -0.073 0.000 0.983 551 E CA 0.607 57.001 56.400 -0.010 0.000 0.818 551 E CB 0.229 29.930 29.700 0.001 0.000 0.758 551 E HN 0.258 nan 8.360 nan 0.000 0.467 552 N N -1.724 116.912 118.700 -0.107 0.000 2.257 552 N HA 0.022 4.331 4.740 -0.718 0.000 0.200 552 N C 0.331 175.441 175.510 -0.666 0.000 1.163 552 N CA 0.210 53.020 53.050 -0.401 0.000 0.891 552 N CB 0.443 38.639 38.487 -0.486 0.000 1.067 552 N HN 0.160 nan 8.380 nan 0.000 0.497 553 W N 0.704 121.990 121.300 -0.024 0.000 2.499 553 W HA 0.376 4.608 4.660 -0.715 0.000 0.362 553 W C 0.098 176.611 176.519 -0.011 0.000 0.945 553 W CA -0.451 56.878 57.345 -0.026 0.000 1.721 553 W CB 0.339 29.779 29.460 -0.033 0.000 1.156 553 W HN -0.157 nan 8.180 nan 0.000 0.547 554 L N 3.477 124.770 121.223 0.116 0.000 2.376 554 L HA 0.297 4.206 4.340 -0.718 0.000 0.250 554 L C 0.240 177.119 176.870 0.015 0.000 1.335 554 L CA -0.245 54.639 54.840 0.073 0.000 1.214 554 L CB -1.439 40.645 42.059 0.043 0.000 1.395 554 L HN 0.182 nan 8.230 nan 0.000 0.424 555 C N -0.807 118.503 119.300 0.016 0.000 3.211 555 C HA 0.455 4.484 4.460 -0.718 0.000 0.350 555 C C -0.498 174.460 174.990 -0.055 0.000 1.413 555 C CA -1.161 57.823 59.018 -0.058 0.000 1.203 555 C CB 1.273 29.024 27.740 0.018 0.000 1.506 555 C HN 0.471 nan 8.230 nan 0.000 0.448 556 H N 1.174 120.328 119.070 0.140 0.000 2.472 556 H HA 0.661 4.785 4.556 -0.719 0.000 0.335 556 H C 0.300 175.747 175.328 0.199 0.000 1.136 556 H CA 0.622 56.754 56.048 0.141 0.000 1.264 556 H CB 1.944 31.756 29.762 0.083 0.000 1.486 556 H HN 0.948 nan 8.280 nan 0.000 0.517 557 S N 2.255 118.167 115.700 0.352 0.000 2.541 557 S HA 0.481 4.521 4.470 -0.718 0.000 0.283 557 S C -0.384 174.333 174.600 0.195 0.000 1.196 557 S CA -0.849 57.562 58.200 0.350 0.000 1.062 557 S CB 1.368 64.816 63.200 0.412 0.000 1.009 557 S HN 0.363 nan 8.310 nan 0.000 0.502 558 L N 2.893 124.188 121.223 0.120 0.000 2.406 558 L HA 0.491 4.400 4.340 -0.718 0.000 0.272 558 L C -1.521 175.361 176.870 0.020 0.000 0.980 558 L CA -0.766 54.108 54.840 0.057 0.000 0.831 558 L CB 1.725 43.804 42.059 0.033 0.000 1.253 558 L HN 0.860 nan 8.230 nan 0.000 0.406 559 Y N 5.684 125.941 120.300 -0.072 0.000 2.383 559 Y HA 0.545 4.664 4.550 -0.717 0.000 0.344 559 Y C -0.928 174.937 175.900 -0.058 0.000 0.986 559 Y CA -0.579 57.471 58.100 -0.084 0.000 1.175 559 Y CB 0.670 39.096 38.460 -0.056 0.000 1.152 559 Y HN 0.509 nan 8.280 nan 0.000 0.511 560 L N 10.009 130.945 121.223 -0.479 0.000 2.283 560 L HA 0.281 4.190 4.340 -0.718 0.000 0.287 560 L C -1.584 174.920 176.870 -0.611 0.000 1.073 560 L CA -1.721 52.874 54.840 -0.407 0.000 0.822 560 L CB 1.001 42.905 42.059 -0.258 0.000 1.186 560 L HN 0.582 nan 8.230 nan 0.000 0.436 561 P HA -0.056 nan 4.420 nan 0.000 0.225 561 P C 0.934 178.120 177.300 -0.190 0.000 1.156 561 P CA 0.874 63.780 63.100 -0.325 0.000 0.787 561 P CB 0.485 32.151 31.700 -0.057 0.000 0.802 562 E N -0.055 120.052 120.200 -0.154 0.000 2.158 562 E HA -0.044 3.875 4.350 -0.718 0.000 0.191 562 E C 1.682 178.226 176.600 -0.094 0.000 0.982 562 E CA 1.309 57.651 56.400 -0.096 0.000 0.823 562 E CB -0.096 29.560 29.700 -0.073 0.000 0.766 562 E HN 0.296 nan 8.360 nan 0.000 0.468 563 S N -0.062 115.562 115.700 -0.127 0.000 2.556 563 S HA 0.076 4.115 4.470 -0.718 0.000 0.216 563 S C 0.378 174.917 174.600 -0.101 0.000 0.970 563 S CA -0.159 57.983 58.200 -0.097 0.000 0.912 563 S CB 0.135 63.279 63.200 -0.093 0.000 0.790 563 S HN 0.165 nan 8.310 nan 0.000 0.504 564 E N 1.357 121.448 120.200 -0.181 0.000 2.660 564 E HA -0.195 3.725 4.350 -0.718 0.000 0.260 564 E C -0.153 176.384 176.600 -0.104 0.000 1.122 564 E CA 0.752 57.066 56.400 -0.144 0.000 0.755 564 E CB -2.085 27.683 29.700 0.113 0.000 1.345 564 E HN 0.836 nan 8.360 nan 0.000 0.421 565 S N -0.975 114.603 115.700 -0.203 0.000 2.747 565 S HA 0.751 4.790 4.470 -0.718 0.000 0.300 565 S C 0.250 174.713 174.600 -0.228 0.000 1.121 565 S CA -1.115 56.999 58.200 -0.142 0.000 0.995 565 S CB 2.068 65.205 63.200 -0.106 0.000 1.113 565 S HN 0.082 nan 8.310 nan 0.000 0.547 566 M N 1.155 120.576 119.600 -0.299 0.000 2.654 566 M HA 0.668 4.717 4.480 -0.718 0.000 0.310 566 M C 0.167 176.191 176.300 -0.459 0.000 1.211 566 M CA -0.288 54.682 55.300 -0.549 0.000 0.947 566 M CB 1.521 33.334 32.600 -1.312 0.000 1.647 566 M HN 1.004 nan 8.290 nan 0.000 0.481 567 T N 0.154 114.496 114.554 -0.353 0.000 2.665 567 T HA 0.634 4.553 4.350 -0.718 0.000 0.303 567 T C -1.267 173.493 174.700 0.100 0.000 1.334 567 T CA -0.667 61.390 62.100 -0.073 0.000 1.011 567 T CB 1.841 70.681 68.868 -0.046 0.000 1.573 567 T HN 0.702 nan 8.240 nan 0.000 0.492 568 R N 0.236 120.820 120.500 0.139 0.000 2.902 568 R HA 0.837 4.746 4.340 -0.718 0.000 0.258 568 R C -0.577 175.796 176.300 0.121 0.000 1.071 568 R CA -0.975 55.231 56.100 0.177 0.000 1.024 568 R CB 1.490 31.866 30.300 0.127 0.000 1.184 568 R HN 0.424 nan 8.270 nan 0.000 0.492 569 R N -0.214 120.380 120.500 0.158 0.000 2.651 569 R HA 0.316 4.225 4.340 -0.718 0.000 0.278 569 R C -0.914 175.478 176.300 0.154 0.000 1.010 569 R CA -0.624 55.562 56.100 0.143 0.000 0.896 569 R CB 2.552 32.946 30.300 0.157 0.000 1.211 569 R HN 0.566 nan 8.270 nan 0.000 0.456 570 S N 1.020 116.783 115.700 0.105 0.000 2.558 570 S HA 0.037 4.076 4.470 -0.718 0.000 0.288 570 S C 0.126 174.786 174.600 0.101 0.000 1.318 570 S CA -0.311 57.933 58.200 0.072 0.000 1.056 570 S CB 0.636 63.868 63.200 0.053 0.000 0.853 570 S HN 0.227 nan 8.310 nan 0.000 0.505 571 V N 4.593 124.500 119.914 -0.011 0.000 2.498 571 V HA 0.171 3.860 4.120 -0.718 0.000 0.279 571 V C 0.734 176.866 176.094 0.064 0.000 1.048 571 V CA -0.806 61.476 62.300 -0.029 0.000 0.967 571 V CB 1.126 32.875 31.823 -0.124 0.000 0.988 571 V HN 0.805 nan 8.190 nan 0.000 0.473 572 N N 5.508 124.274 118.700 0.109 0.000 2.470 572 N HA 0.214 4.523 4.740 -0.718 0.000 0.268 572 N C -0.131 175.438 175.510 0.098 0.000 1.136 572 N CA -0.028 53.078 53.050 0.092 0.000 0.961 572 N CB 0.947 39.488 38.487 0.090 0.000 1.067 572 N HN 0.629 nan 8.380 nan 0.000 0.468 573 M N 2.495 122.147 119.600 0.086 0.000 2.809 573 M HA 0.212 4.262 4.480 -0.718 0.000 0.388 573 M C -0.752 175.598 176.300 0.083 0.000 1.248 573 M CA -0.038 55.322 55.300 0.099 0.000 0.885 573 M CB 0.304 32.958 32.600 0.090 0.000 1.386 573 M HN 0.388 nan 8.290 nan 0.000 0.509 574 E N 2.183 122.430 120.200 0.079 0.000 2.675 574 E HA 0.332 4.251 4.350 -0.718 0.000 0.236 574 E C -2.454 174.195 176.600 0.082 0.000 1.059 574 E CA -1.583 54.858 56.400 0.067 0.000 0.775 574 E CB 1.980 31.709 29.700 0.049 0.000 1.356 574 E HN 0.102 nan 8.360 nan 0.000 0.403 575 P HA 0.065 nan 4.420 nan 0.000 0.274 575 P C 0.467 177.830 177.300 0.105 0.000 1.260 575 P CA -0.370 62.807 63.100 0.128 0.000 0.793 575 P CB 1.071 32.869 31.700 0.164 0.000 1.048 576 K N -0.010 120.463 120.400 0.122 0.000 2.313 576 K HA 0.226 4.115 4.320 -0.718 0.000 0.197 576 K C 1.533 178.199 176.600 0.110 0.000 1.061 576 K CA 0.948 57.293 56.287 0.097 0.000 0.980 576 K CB -0.169 32.382 32.500 0.086 0.000 0.888 576 K HN 0.341 nan 8.250 nan 0.000 0.502 577 L N 0.763 122.087 121.223 0.169 0.000 2.638 577 L HA 0.249 4.159 4.340 -0.718 0.000 0.232 577 L C 0.794 177.774 176.870 0.184 0.000 1.099 577 L CA -0.235 54.724 54.840 0.199 0.000 0.883 577 L CB 0.201 42.440 42.059 0.300 0.000 1.136 577 L HN 0.029 nan 8.230 nan 0.000 0.492 578 R N -0.378 120.214 120.500 0.154 0.000 2.781 578 R HA 0.638 4.547 4.340 -0.718 0.000 0.269 578 R C -3.087 173.200 176.300 -0.023 0.000 1.025 578 R CA -1.605 54.519 56.100 0.039 0.000 0.914 578 R CB 0.815 31.117 30.300 0.003 0.000 1.236 578 R HN -0.337 nan 8.270 nan 0.000 0.465 579 P HA 0.231 nan 4.420 nan 0.000 0.278 579 P C -0.640 176.525 177.300 -0.224 0.000 1.258 579 P CA -0.537 62.488 63.100 -0.126 0.000 0.811 579 P CB 0.756 32.377 31.700 -0.131 0.000 1.063 580 A N 0.745 123.492 122.820 -0.121 0.000 2.448 580 A HA 0.317 4.206 4.320 -0.718 0.000 0.239 580 A C -0.395 177.082 177.584 -0.178 0.000 1.080 580 A CA -0.011 51.984 52.037 -0.070 0.000 0.779 580 A CB -0.730 18.296 19.000 0.044 0.000 1.026 580 A HN 0.395 nan 8.150 nan 0.000 0.499 581 F N 2.043 122.093 119.950 0.167 0.000 2.391 581 F HA 0.379 4.477 4.527 -0.716 0.000 0.359 581 F C -1.681 174.251 175.800 0.220 0.000 1.122 581 F CA -1.959 56.170 58.000 0.216 0.000 1.120 581 F CB 1.090 40.261 39.000 0.284 0.000 1.142 581 F HN 0.329 nan 8.300 nan 0.000 0.483 582 P HA 0.213 nan 4.420 nan 0.000 0.275 582 P C -2.733 174.558 177.300 -0.015 0.000 1.228 582 P CA -1.917 61.260 63.100 0.129 0.000 0.786 582 P CB 0.191 31.924 31.700 0.055 0.000 0.927 583 P HA 0.129 nan 4.420 nan 0.000 0.266 583 P C -0.231 176.692 177.300 -0.629 0.000 1.215 583 P CA 0.290 62.853 63.100 -0.895 0.000 0.763 583 P CB 0.158 31.595 31.700 -0.440 0.000 0.806 584 K N 2.463 122.412 120.400 -0.751 0.000 2.261 584 K HA 0.630 4.519 4.320 -0.718 0.000 0.242 584 K C -0.461 176.033 176.600 -0.176 0.000 1.083 584 K CA -1.144 54.983 56.287 -0.266 0.000 0.880 584 K CB 0.749 33.208 32.500 -0.069 0.000 1.353 584 K HN 0.050 nan 8.250 nan 0.000 0.486 585 I N 1.431 121.975 120.570 -0.043 0.000 2.588 585 I HA 0.092 3.831 4.170 -0.718 0.000 0.283 585 I C 0.357 176.510 176.117 0.060 0.000 1.119 585 I CA -0.046 61.262 61.300 0.014 0.000 1.419 585 I CB 0.583 38.596 38.000 0.021 0.000 1.394 585 I HN 0.461 nan 8.210 nan 0.000 0.562 586 R N 5.613 126.167 120.500 0.090 0.000 2.287 586 R HA 0.401 4.310 4.340 -0.718 0.000 0.316 586 R C -1.109 175.205 176.300 0.023 0.000 1.050 586 R CA -0.288 55.856 56.100 0.073 0.000 0.983 586 R CB 0.534 30.931 30.300 0.161 0.000 1.140 586 R HN 0.821 nan 8.270 nan 0.000 0.528 587 T N 0.003 114.525 114.554 -0.053 0.000 2.906 587 T HA 0.422 4.342 4.350 -0.718 0.000 0.295 587 T C -0.693 173.936 174.700 -0.118 0.000 1.061 587 T CA -0.638 61.465 62.100 0.005 0.000 1.000 587 T CB 1.299 70.205 68.868 0.063 0.000 1.103 587 T HN 0.305 nan 8.240 nan 0.000 0.486 588 Y N 0.000 120.343 120.300 0.072 0.000 2.660 588 Y HA 0.000 4.120 4.550 -0.716 0.000 0.201 588 Y CA 0.000 58.136 58.100 0.060 0.000 1.940 588 Y CB 0.000 38.490 38.460 0.050 0.000 1.050 588 Y HN 0.000 nan 8.280 nan 0.000 0.758