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 1yny_1_A DATA FIRST_RESID 2 DATA SEQUENCE KKWIRGGTVV TAADTYQADV LIEGERVVAI GHQXXXXGAE EIDATGCYVI DATA SEQUENCE PGGIDPHTHL DMPFGGTVTA DDFFTGTRAA AFGGTTSIVD FCLTKKGESL DATA SEQUENCE KSAIATWHEK ARGKAVIDYG FHLMIAEAND QVLEELESVI SSEGITSLKV DATA SEQUENCE FMAYKNVFQA DDETLFKTLV KAKELGALVQ VHAENGDVLD YLTKKALAEG DATA SEQUENCE NTDPIYHAYT RPPEAEGEAT GRAIALTALA GSQLYVVHVS CASAVQRIAE DATA SEQUENCE AREKGWNVYG ETCPQYLALD VSIMDQPDFE GAKYVWSPPL REKWNQEVLW DATA SEQUENCE SALKNGILQT VGSDHCPFNF RGQKELGRGD FTKIPNGGPL IEDRLTILYS DATA SEQUENCE EGVRQGRISL NQFVDISSTK AAKLFGMFPR KGTIAVGSDA DIVIFDPHVK DATA SEQUENCE RTLSVETHHM NVDYNPFEGM EVYGEVVSVL SRGSFVVRDK QFVGQAGSGQ DATA SEQUENCE YIKRTTFEQ 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 2 K HA 0.000 nan 4.320 nan 0.000 0.191 2 K C 0.000 176.628 176.600 0.046 0.000 0.988 2 K CA 0.000 56.295 56.287 0.013 0.000 0.838 2 K CB 0.000 32.501 32.500 0.001 0.000 1.064 3 K N 1.284 121.718 120.400 0.058 0.000 2.316 3 K HA 0.432 4.752 4.320 -0.000 0.000 0.251 3 K C -1.399 175.321 176.600 0.201 0.000 0.934 3 K CA -0.854 55.495 56.287 0.103 0.000 0.802 3 K CB 2.001 34.511 32.500 0.017 0.000 1.171 3 K HN 0.507 nan 8.250 nan 0.000 0.426 4 W N 5.640 126.943 121.300 0.006 0.000 2.391 4 W HA 0.407 5.066 4.660 -0.000 0.000 0.312 4 W C -1.349 175.183 176.519 0.021 0.000 1.003 4 W CA -0.908 56.442 57.345 0.008 0.000 1.375 4 W CB 0.365 29.829 29.460 0.006 0.000 1.253 4 W HN 0.436 nan 8.180 nan 0.000 0.416 5 I N 7.976 128.512 120.570 -0.056 0.000 2.337 5 I HA 0.343 4.513 4.170 -0.000 0.000 0.291 5 I C 0.513 176.397 176.117 -0.387 0.000 1.046 5 I CA -0.406 60.786 61.300 -0.179 0.000 1.324 5 I CB 0.405 38.368 38.000 -0.062 0.000 1.409 5 I HN 0.389 nan 8.210 nan 0.000 0.494 6 R N 3.943 124.126 120.500 -0.527 0.000 2.837 6 R HA 0.794 5.134 4.340 -0.000 0.000 0.271 6 R C 0.462 176.590 176.300 -0.288 0.000 0.993 6 R CA -0.266 55.510 56.100 -0.539 0.000 0.931 6 R CB 1.678 31.331 30.300 -1.078 0.000 1.206 6 R HN 0.669 nan 8.270 nan 0.000 0.474 7 G N 0.078 108.774 108.800 -0.172 0.000 2.225 7 G HA2 -0.241 3.718 3.960 -0.000 0.000 0.254 7 G HA3 -0.241 3.718 3.960 -0.000 0.000 0.254 7 G C 0.334 175.202 174.900 -0.054 0.000 0.988 7 G CA -0.056 44.990 45.100 -0.090 0.000 0.625 7 G HN 0.992 nan 8.290 nan 0.000 0.527 8 G N -0.494 108.270 108.800 -0.060 0.000 2.547 8 G HA2 0.659 4.619 3.960 -0.000 0.000 0.291 8 G HA3 0.659 4.619 3.960 -0.000 0.000 0.291 8 G C 0.278 175.167 174.900 -0.018 0.000 1.211 8 G CA 0.694 45.774 45.100 -0.034 0.000 0.950 8 G HN 1.341 nan 8.290 nan 0.000 0.504 9 T N -1.588 112.974 114.554 0.014 0.000 2.770 9 T HA 0.481 4.831 4.350 -0.000 0.000 0.297 9 T C -0.117 174.553 174.700 -0.050 0.000 0.997 9 T CA -0.654 61.450 62.100 0.006 0.000 0.949 9 T CB 1.059 70.005 68.868 0.130 0.000 0.941 9 T HN 0.296 nan 8.240 nan 0.000 0.457 10 V N 4.437 124.168 119.914 -0.305 0.000 2.637 10 V HA 0.359 4.479 4.120 -0.000 0.000 0.296 10 V C 0.166 176.042 176.094 -0.364 0.000 1.046 10 V CA -0.253 61.814 62.300 -0.389 0.000 1.066 10 V CB 1.083 32.490 31.823 -0.693 0.000 0.968 10 V HN 0.841 nan 8.190 nan 0.000 0.483 11 V N 4.676 124.481 119.914 -0.181 0.000 2.525 11 V HA 0.637 4.757 4.120 -0.000 0.000 0.299 11 V C 0.112 176.166 176.094 -0.066 0.000 1.034 11 V CA -0.341 61.881 62.300 -0.131 0.000 0.863 11 V CB 2.004 33.716 31.823 -0.186 0.000 0.999 11 V HN 1.049 nan 8.190 nan 0.000 0.423 12 T N 1.339 115.886 114.554 -0.012 0.000 2.773 12 T HA 0.718 5.068 4.350 -0.000 0.000 0.278 12 T C 1.266 175.970 174.700 0.007 0.000 1.011 12 T CA 0.041 62.148 62.100 0.011 0.000 1.014 12 T CB 1.904 70.815 68.868 0.071 0.000 1.293 12 T HN 0.713 nan 8.240 nan 0.000 0.554 13 A N -0.113 122.712 122.820 0.007 0.000 2.024 13 A HA 0.311 4.631 4.320 -0.000 0.000 0.220 13 A C 2.199 179.793 177.584 0.016 0.000 1.164 13 A CA 1.971 54.006 52.037 -0.003 0.000 0.643 13 A CB -1.308 17.683 19.000 -0.015 0.000 0.806 13 A HN 1.251 nan 8.150 nan 0.000 0.451 14 A N -1.699 121.144 122.820 0.038 0.000 2.026 14 A HA 0.291 4.611 4.320 -0.000 0.000 0.198 14 A C 0.511 178.135 177.584 0.067 0.000 1.390 14 A CA 0.204 52.267 52.037 0.044 0.000 0.915 14 A CB 0.379 19.404 19.000 0.040 0.000 0.974 14 A HN 0.382 nan 8.150 nan 0.000 0.477 15 D N -0.259 120.204 120.400 0.107 0.000 2.326 15 D HA 0.556 5.196 4.640 -0.000 0.000 0.251 15 D C -1.009 175.384 176.300 0.155 0.000 1.023 15 D CA 0.331 54.435 54.000 0.174 0.000 0.966 15 D CB 1.585 42.565 40.800 0.301 0.000 1.156 15 D HN -0.015 nan 8.370 nan 0.000 0.494 16 T N 1.101 115.779 114.554 0.206 0.000 3.566 16 T HA 0.351 4.701 4.350 -0.000 0.000 0.330 16 T C -1.255 173.554 174.700 0.182 0.000 0.877 16 T CA -0.705 61.447 62.100 0.087 0.000 1.030 16 T CB 0.095 68.991 68.868 0.047 0.000 1.033 16 T HN 0.354 nan 8.240 nan 0.000 0.463 17 Y N 0.054 120.385 120.300 0.050 0.000 2.655 17 Y HA 0.757 5.307 4.550 -0.000 0.000 0.336 17 Y C -0.948 174.992 175.900 0.067 0.000 1.154 17 Y CA -1.521 56.610 58.100 0.053 0.000 1.055 17 Y CB 1.277 39.763 38.460 0.044 0.000 1.295 17 Y HN 0.277 nan 8.280 nan 0.000 0.465 18 Q N 1.389 121.292 119.800 0.171 0.000 2.307 18 Q HA 0.833 5.173 4.340 -0.000 0.000 0.262 18 Q C -1.054 175.070 176.000 0.208 0.000 0.961 18 Q CA -0.853 55.010 55.803 0.099 0.000 0.882 18 Q CB 2.049 30.839 28.738 0.088 0.000 1.264 18 Q HN 0.976 nan 8.270 nan 0.000 0.446 19 A N 2.474 125.395 122.820 0.169 0.000 2.522 19 A HA 0.428 4.748 4.320 -0.000 0.000 0.291 19 A C -1.839 175.845 177.584 0.167 0.000 1.039 19 A CA -0.941 51.242 52.037 0.243 0.000 0.643 19 A CB 1.132 20.366 19.000 0.391 0.000 1.310 19 A HN 0.605 nan 8.150 nan 0.000 0.436 20 D N 0.525 121.047 120.400 0.204 0.000 2.229 20 D HA 0.502 5.142 4.640 -0.000 0.000 0.249 20 D C -0.158 176.271 176.300 0.215 0.000 1.027 20 D CA 0.142 54.243 54.000 0.168 0.000 0.923 20 D CB 1.915 42.919 40.800 0.341 0.000 1.174 20 D HN 1.135 nan 8.370 nan 0.000 0.443 21 V N -0.303 119.715 119.914 0.174 0.000 2.540 21 V HA 0.593 4.713 4.120 -0.000 0.000 0.302 21 V C -1.054 175.168 176.094 0.212 0.000 1.035 21 V CA -0.928 61.471 62.300 0.166 0.000 0.873 21 V CB 1.600 33.481 31.823 0.097 0.000 0.992 21 V HN 0.296 nan 8.190 nan 0.000 0.428 22 L N 6.550 127.878 121.223 0.176 0.000 2.282 22 L HA 0.714 5.053 4.340 -0.000 0.000 0.288 22 L C -0.485 176.428 176.870 0.072 0.000 1.033 22 L CA -0.271 54.660 54.840 0.152 0.000 0.807 22 L CB 1.044 43.151 42.059 0.081 0.000 1.209 22 L HN 0.740 nan 8.230 nan 0.000 0.423 23 I N 4.345 124.950 120.570 0.058 0.000 2.441 23 I HA 0.459 4.629 4.170 -0.000 0.000 0.295 23 I C -0.409 175.708 176.117 -0.001 0.000 0.994 23 I CA -0.466 60.839 61.300 0.009 0.000 1.144 23 I CB 1.807 39.795 38.000 -0.019 0.000 1.314 23 I HN 0.618 nan 8.210 nan 0.000 0.445 24 E N 4.695 124.885 120.200 -0.017 0.000 2.283 24 E HA 0.510 4.860 4.350 -0.000 0.000 0.258 24 E C 0.170 176.752 176.600 -0.029 0.000 0.893 24 E CA -0.085 56.303 56.400 -0.021 0.000 0.798 24 E CB 1.375 31.062 29.700 -0.022 0.000 1.242 24 E HN 0.837 nan 8.360 nan 0.000 0.414 25 G N 4.221 113.003 108.800 -0.030 0.000 2.523 25 G HA2 -0.354 3.606 3.960 -0.000 0.000 0.271 25 G HA3 -0.354 3.606 3.960 -0.000 0.000 0.271 25 G C 0.519 175.392 174.900 -0.046 0.000 1.146 25 G CA 0.376 45.455 45.100 -0.034 0.000 0.961 25 G HN 0.631 nan 8.290 nan 0.000 0.549 26 E N 1.427 121.598 120.200 -0.049 0.000 2.474 26 E HA 0.180 4.530 4.350 -0.000 0.000 0.195 26 E C 1.220 177.781 176.600 -0.065 0.000 1.039 26 E CA 0.603 56.967 56.400 -0.059 0.000 0.881 26 E CB 0.223 29.889 29.700 -0.057 0.000 0.970 26 E HN 0.666 nan 8.360 nan 0.000 0.486 27 R N -0.991 119.475 120.500 -0.057 0.000 2.855 27 R HA 0.509 4.849 4.340 -0.000 0.000 0.266 27 R C -0.775 175.498 176.300 -0.045 0.000 1.034 27 R CA -0.861 55.204 56.100 -0.058 0.000 0.944 27 R CB 1.053 31.316 30.300 -0.062 0.000 1.219 27 R HN -0.222 nan 8.270 nan 0.000 0.474 28 V N 1.779 121.668 119.914 -0.042 0.000 2.508 28 V HA 0.053 4.173 4.120 -0.000 0.000 0.281 28 V C 0.611 176.694 176.094 -0.018 0.000 1.041 28 V CA -0.023 62.265 62.300 -0.020 0.000 1.016 28 V CB 1.363 33.179 31.823 -0.012 0.000 0.984 28 V HN 0.692 nan 8.190 nan 0.000 0.478 29 V N 4.146 124.056 119.914 -0.006 0.000 3.612 29 V HA 0.706 4.826 4.120 -0.000 0.000 0.268 29 V C 0.506 176.600 176.094 -0.001 0.000 1.365 29 V CA 0.979 63.273 62.300 -0.011 0.000 1.044 29 V CB 0.624 32.437 31.823 -0.016 0.000 0.820 29 V HN 0.986 nan 8.190 nan 0.000 0.444 30 A N 0.133 122.965 122.820 0.019 0.000 2.577 30 A HA 0.756 5.076 4.320 -0.000 0.000 0.297 30 A C -1.483 176.143 177.584 0.070 0.000 1.060 30 A CA -0.402 51.654 52.037 0.031 0.000 0.697 30 A CB 1.312 20.322 19.000 0.016 0.000 1.281 30 A HN 0.189 nan 8.150 nan 0.000 0.402 31 I N 1.033 121.650 120.570 0.078 0.000 2.686 31 I HA 0.783 4.953 4.170 -0.000 0.000 0.295 31 I C 0.569 176.759 176.117 0.120 0.000 1.114 31 I CA -0.066 61.311 61.300 0.128 0.000 1.038 31 I CB 2.498 40.584 38.000 0.144 0.000 1.238 31 I HN 1.341 nan 8.210 nan 0.000 0.420 32 G N 3.426 112.331 108.800 0.175 0.000 2.398 32 G HA2 0.124 4.084 3.960 -0.000 0.000 0.251 32 G HA3 0.124 4.084 3.960 -0.000 0.000 0.251 32 G C -2.001 173.049 174.900 0.251 0.000 1.277 32 G CA -0.607 44.597 45.100 0.173 0.000 0.927 32 G HN 0.758 nan 8.290 nan 0.000 0.477 33 H N 1.020 120.159 119.070 0.116 0.000 2.782 33 H HA 0.619 5.175 4.556 -0.000 0.000 0.347 33 H C -0.005 175.382 175.328 0.099 0.000 1.038 33 H CA 0.825 56.952 56.048 0.132 0.000 1.255 33 H CB 1.653 31.480 29.762 0.110 0.000 1.623 33 H HN 1.175 nan 8.280 nan 0.000 0.525 40 A N -0.362 122.453 122.820 -0.007 0.000 2.567 40 A HA 0.598 4.918 4.320 -0.000 0.000 0.301 40 A C -1.157 176.492 177.584 0.109 0.000 0.940 40 A CA -0.699 51.361 52.037 0.039 0.000 0.637 40 A CB 0.505 19.519 19.000 0.022 0.000 1.332 40 A HN 0.689 nan 8.150 nan 0.000 0.427 41 E N 1.352 121.628 120.200 0.127 0.000 2.217 41 E HA 0.384 4.734 4.350 -0.000 0.000 0.279 41 E C -0.105 176.619 176.600 0.207 0.000 1.068 41 E CA 0.216 56.706 56.400 0.149 0.000 0.882 41 E CB 0.403 30.188 29.700 0.142 0.000 1.039 41 E HN 0.422 nan 8.360 nan 0.000 0.418 42 E N 3.302 123.622 120.200 0.201 0.000 2.354 42 E HA 0.301 4.651 4.350 -0.000 0.000 0.269 42 E C -0.510 176.150 176.600 0.100 0.000 1.036 42 E CA -0.495 56.016 56.400 0.184 0.000 0.876 42 E CB 1.019 30.819 29.700 0.167 0.000 1.009 42 E HN 0.492 nan 8.360 nan 0.000 0.416 43 I N 1.700 122.287 120.570 0.027 0.000 2.563 43 I HA 0.197 4.367 4.170 -0.000 0.000 0.285 43 I C -1.285 174.790 176.117 -0.070 0.000 1.123 43 I CA -0.696 60.625 61.300 0.035 0.000 1.059 43 I CB 1.703 39.800 38.000 0.161 0.000 1.229 43 I HN 0.176 nan 8.210 nan 0.000 0.442 44 D N 5.860 126.219 120.400 -0.068 0.000 2.348 44 D HA 0.648 5.288 4.640 -0.000 0.000 0.253 44 D C 0.219 176.477 176.300 -0.070 0.000 1.161 44 D CA 0.377 54.317 54.000 -0.101 0.000 0.876 44 D CB 1.670 42.423 40.800 -0.077 0.000 1.160 44 D HN 0.742 nan 8.370 nan 0.000 0.459 45 A N 3.137 125.904 122.820 -0.089 0.000 2.610 45 A HA 0.223 4.543 4.320 -0.000 0.000 0.290 45 A C 0.421 177.967 177.584 -0.062 0.000 1.001 45 A CA -0.489 51.513 52.037 -0.059 0.000 1.004 45 A CB -0.017 18.955 19.000 -0.048 0.000 1.220 45 A HN 0.452 nan 8.150 nan 0.000 0.507 46 T N 0.359 114.873 114.554 -0.067 0.000 2.888 46 T HA 0.426 4.776 4.350 -0.000 0.000 0.301 46 T C 1.457 176.128 174.700 -0.048 0.000 1.001 46 T CA 1.461 63.528 62.100 -0.055 0.000 1.147 46 T CB 0.792 69.628 68.868 -0.052 0.000 0.931 46 T HN 1.516 nan 8.240 nan 0.000 0.541 47 G N 1.813 110.586 108.800 -0.045 0.000 2.179 47 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.260 47 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.260 47 G C 0.366 175.195 174.900 -0.118 0.000 0.977 47 G CA 0.017 45.095 45.100 -0.038 0.000 0.641 47 G HN 0.836 nan 8.290 nan 0.000 0.533 48 C N -0.517 118.701 119.300 -0.137 0.000 2.595 48 C HA 0.787 5.247 4.460 -0.000 0.000 0.338 48 C C -0.069 174.845 174.990 -0.126 0.000 1.219 48 C CA -1.325 57.579 59.018 -0.190 0.000 1.811 48 C CB 1.022 28.710 27.740 -0.086 0.000 2.313 48 C HN 0.288 nan 8.230 nan 0.000 0.499 49 Y N 0.641 120.947 120.300 0.010 0.000 2.308 49 Y HA 0.473 5.023 4.550 -0.000 0.000 0.329 49 Y C 0.308 176.227 175.900 0.031 0.000 1.111 49 Y CA -0.585 57.528 58.100 0.023 0.000 1.179 49 Y CB 0.718 39.218 38.460 0.067 0.000 1.201 49 Y HN 0.294 nan 8.280 nan 0.000 0.483 50 V N 6.313 126.320 119.914 0.156 0.000 2.311 50 V HA 0.398 4.518 4.120 -0.000 0.000 0.275 50 V C 0.037 176.151 176.094 0.034 0.000 1.022 50 V CA -0.560 61.780 62.300 0.066 0.000 0.830 50 V CB 0.038 31.863 31.823 0.003 0.000 1.012 50 V HN 0.639 nan 8.190 nan 0.000 0.452 51 I N 3.204 123.798 120.570 0.039 0.000 2.957 51 I HA 0.771 4.941 4.170 -0.000 0.000 0.310 51 I C -2.853 173.243 176.117 -0.034 0.000 1.063 51 I CA -3.159 58.133 61.300 -0.013 0.000 1.033 51 I CB 2.534 40.517 38.000 -0.028 0.000 1.230 51 I HN 0.279 nan 8.210 nan 0.000 0.447 52 P HA 0.162 nan 4.420 nan 0.000 0.271 52 P C -0.001 177.255 177.300 -0.073 0.000 1.216 52 P CA 0.082 63.148 63.100 -0.057 0.000 0.776 52 P CB 0.638 32.307 31.700 -0.052 0.000 0.881 53 G N 2.833 111.598 108.800 -0.058 0.000 2.414 53 G HA2 0.324 4.284 3.960 -0.000 0.000 0.236 53 G HA3 0.324 4.284 3.960 -0.000 0.000 0.236 53 G C 0.586 175.442 174.900 -0.074 0.000 1.293 53 G CA -0.110 44.956 45.100 -0.057 0.000 0.869 53 G HN 0.607 nan 8.290 nan 0.000 0.556 54 G N 0.003 108.755 108.800 -0.080 0.000 2.554 54 G HA2 0.414 4.374 3.960 -0.000 0.000 0.238 54 G HA3 0.414 4.374 3.960 -0.000 0.000 0.238 54 G C -0.149 174.713 174.900 -0.063 0.000 1.259 54 G CA -0.518 44.527 45.100 -0.092 0.000 0.843 54 G HN 0.653 nan 8.290 nan 0.000 0.582 55 I N 1.361 121.898 120.570 -0.054 0.000 2.410 55 I HA 0.165 4.335 4.170 -0.000 0.000 0.286 55 I C -0.958 175.146 176.117 -0.021 0.000 1.009 55 I CA -0.665 60.613 61.300 -0.037 0.000 1.111 55 I CB 2.054 40.042 38.000 -0.019 0.000 1.262 55 I HN 0.314 nan 8.210 nan 0.000 0.443 56 D N 9.367 129.748 120.400 -0.031 0.000 2.443 56 D HA 0.246 4.886 4.640 -0.000 0.000 0.221 56 D C -1.785 174.494 176.300 -0.034 0.000 1.097 56 D CA -2.086 51.909 54.000 -0.008 0.000 0.865 56 D CB 1.691 42.481 40.800 -0.016 0.000 1.034 56 D HN 0.244 nan 8.370 nan 0.000 0.511 57 P HA -0.007 nan 4.420 nan 0.000 0.253 57 P C -0.407 176.852 177.300 -0.068 0.000 1.260 57 P CA 0.204 63.193 63.100 -0.185 0.000 0.800 57 P CB -0.153 31.398 31.700 -0.249 0.000 1.162 58 H N 0.116 119.168 119.070 -0.030 0.000 2.974 58 H HA 0.351 4.907 4.556 -0.000 0.000 0.285 58 H C -0.662 174.706 175.328 0.068 0.000 1.227 58 H CA -0.297 55.800 56.048 0.082 0.000 1.569 58 H CB 0.751 30.654 29.762 0.236 0.000 1.648 58 H HN -0.082 nan 8.280 nan 0.000 0.521 59 T N 0.779 115.442 114.554 0.182 0.000 2.883 59 T HA 0.315 4.665 4.350 -0.000 0.000 0.296 59 T C -0.653 173.997 174.700 -0.083 0.000 1.117 59 T CA -0.946 61.212 62.100 0.097 0.000 1.006 59 T CB 2.063 70.952 68.868 0.036 0.000 1.191 59 T HN 0.589 nan 8.240 nan 0.000 0.508 60 H N 1.640 120.892 119.070 0.302 0.000 2.439 60 H HA 0.331 4.887 4.556 -0.000 0.000 0.228 60 H C -0.569 174.811 175.328 0.086 0.000 1.423 60 H CA -0.370 55.852 56.048 0.290 0.000 1.386 60 H CB 0.262 30.203 29.762 0.298 0.000 1.641 60 H HN 0.452 nan 8.280 nan 0.000 0.508 61 L N 1.050 122.266 121.223 -0.012 0.000 2.380 61 L HA 0.058 4.398 4.340 -0.000 0.000 0.273 61 L C 0.925 177.722 176.870 -0.122 0.000 1.138 61 L CA -0.001 54.692 54.840 -0.246 0.000 0.832 61 L CB 0.446 42.005 42.059 -0.834 0.000 1.124 61 L HN 0.411 nan 8.230 nan 0.000 0.454 62 D N 2.309 122.663 120.400 -0.076 0.000 2.708 62 D HA -0.235 4.405 4.640 -0.000 0.000 0.236 62 D C -0.178 176.116 176.300 -0.010 0.000 1.146 62 D CA 0.842 54.831 54.000 -0.018 0.000 0.662 62 D CB -0.225 40.610 40.800 0.058 0.000 1.059 62 D HN 0.426 nan 8.370 nan 0.000 0.428 63 M N 0.152 119.786 119.600 0.055 0.000 2.188 63 M HA 0.429 4.909 4.480 -0.000 0.000 0.357 63 M C -2.369 174.046 176.300 0.192 0.000 1.204 63 M CA -1.439 53.964 55.300 0.171 0.000 1.095 63 M CB 1.363 34.140 32.600 0.294 0.000 1.604 63 M HN -0.219 nan 8.290 nan 0.000 0.464 64 P HA 0.294 nan 4.420 nan 0.000 0.277 64 P C -1.677 175.843 177.300 0.366 0.000 1.240 64 P CA -0.078 63.163 63.100 0.234 0.000 0.798 64 P CB 0.472 32.270 31.700 0.164 0.000 0.979 65 F N 1.793 121.838 119.950 0.159 0.000 3.395 65 F HA 0.480 5.007 4.527 -0.000 0.000 0.382 65 F C 0.434 176.258 175.800 0.041 0.000 1.264 65 F CA 0.536 58.599 58.000 0.105 0.000 1.277 65 F CB 0.377 39.469 39.000 0.155 0.000 1.780 65 F HN 0.669 nan 8.300 nan 0.000 0.691 66 G N 3.666 112.149 108.800 -0.527 0.000 2.556 66 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.283 66 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.283 66 G C 0.911 175.699 174.900 -0.188 0.000 1.177 66 G CA 0.095 44.912 45.100 -0.471 0.000 0.978 66 G HN 1.681 nan 8.290 nan 0.000 0.554 67 G N -0.203 108.513 108.800 -0.139 0.000 3.284 67 G HA2 0.499 4.459 3.960 -0.000 0.000 0.236 67 G HA3 0.499 4.459 3.960 -0.000 0.000 0.236 67 G C 0.468 175.377 174.900 0.016 0.000 1.158 67 G CA 1.877 46.948 45.100 -0.048 0.000 0.774 67 G HN 1.096 nan 8.290 nan 0.000 0.545 68 T N -0.622 113.973 114.554 0.069 0.000 2.858 68 T HA 0.649 4.999 4.350 -0.000 0.000 0.285 68 T C -0.864 173.989 174.700 0.256 0.000 1.052 68 T CA -0.114 62.084 62.100 0.163 0.000 1.009 68 T CB 1.804 70.801 68.868 0.214 0.000 1.241 68 T HN 0.469 nan 8.240 nan 0.000 0.542 69 V N -0.459 119.610 119.914 0.258 0.000 3.181 69 V HA 0.801 4.921 4.120 -0.000 0.000 0.308 69 V C 0.160 176.290 176.094 0.060 0.000 1.214 69 V CA -0.896 61.532 62.300 0.213 0.000 1.053 69 V CB 0.959 32.840 31.823 0.097 0.000 1.069 69 V HN 1.094 nan 8.190 nan 0.000 0.441 70 T N -0.175 114.263 114.554 -0.193 0.000 2.934 70 T HA 0.384 4.734 4.350 -0.000 0.000 0.306 70 T C 1.425 175.955 174.700 -0.285 0.000 1.042 70 T CA 0.355 62.109 62.100 -0.577 0.000 1.145 70 T CB 0.911 69.497 68.868 -0.471 0.000 0.982 70 T HN 1.753 nan 8.240 nan 0.000 0.544 71 A N 2.575 125.217 122.820 -0.296 0.000 1.940 71 A HA -0.036 4.284 4.320 -0.000 0.000 0.219 71 A C 1.046 178.586 177.584 -0.074 0.000 1.176 71 A CA 1.042 53.012 52.037 -0.112 0.000 0.631 71 A CB -0.389 18.567 19.000 -0.073 0.000 0.814 71 A HN 0.890 nan 8.150 nan 0.000 0.446 72 D N 0.108 120.442 120.400 -0.109 0.000 2.175 72 D HA 0.426 5.066 4.640 -0.000 0.000 0.248 72 D C -0.798 175.474 176.300 -0.046 0.000 1.047 72 D CA -0.223 53.753 54.000 -0.039 0.000 0.883 72 D CB 1.426 42.248 40.800 0.036 0.000 1.180 72 D HN 0.479 nan 8.370 nan 0.000 0.438 73 D N -0.529 119.874 120.400 0.005 0.000 2.621 73 D HA 0.162 4.802 4.640 -0.000 0.000 0.255 73 D C 0.745 177.063 176.300 0.030 0.000 1.122 73 D CA -0.708 53.317 54.000 0.041 0.000 1.096 73 D CB 0.050 40.919 40.800 0.115 0.000 1.282 73 D HN 0.111 nan 8.370 nan 0.000 0.619 74 F N -0.917 119.037 119.950 0.006 0.000 2.373 74 F HA -0.027 4.500 4.527 -0.000 0.000 0.300 74 F C 1.747 177.571 175.800 0.039 0.000 1.080 74 F CA 0.770 58.762 58.000 -0.013 0.000 1.417 74 F CB -0.312 38.633 39.000 -0.091 0.000 1.070 74 F HN 0.321 nan 8.300 nan 0.000 0.546 75 F N 0.841 120.855 119.950 0.106 0.000 2.104 75 F HA -0.113 4.414 4.527 -0.000 0.000 0.288 75 F C 2.781 178.585 175.800 0.007 0.000 1.107 75 F CA 1.864 59.903 58.000 0.066 0.000 1.208 75 F CB -1.114 37.923 39.000 0.061 0.000 1.033 75 F HN -0.057 nan 8.300 nan 0.000 0.478 76 T N -1.833 112.628 114.554 -0.154 0.000 2.833 76 T HA -0.019 4.331 4.350 -0.000 0.000 0.269 76 T C 2.242 176.807 174.700 -0.224 0.000 1.054 76 T CA 1.093 63.037 62.100 -0.261 0.000 1.135 76 T CB -1.464 67.393 68.868 -0.019 0.000 0.869 76 T HN 0.332 nan 8.240 nan 0.000 0.466 77 G N 1.887 110.597 108.800 -0.150 0.000 2.404 77 G HA2 -0.161 3.799 3.960 -0.000 0.000 0.215 77 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.215 77 G C 1.903 176.678 174.900 -0.208 0.000 1.174 77 G CA 1.519 46.523 45.100 -0.162 0.000 0.780 77 G HN 0.675 nan 8.290 nan 0.000 0.537 78 T N -1.086 113.358 114.554 -0.183 0.000 2.904 78 T HA -0.001 4.349 4.350 -0.000 0.000 0.267 78 T C 2.219 176.817 174.700 -0.170 0.000 1.059 78 T CA 1.124 63.145 62.100 -0.131 0.000 1.137 78 T CB -0.102 68.751 68.868 -0.024 0.000 0.879 78 T HN 0.330 nan 8.240 nan 0.000 0.467 79 R N 1.448 121.761 120.500 -0.312 0.000 2.081 79 R HA 0.087 4.427 4.340 -0.000 0.000 0.235 79 R C 2.682 178.903 176.300 -0.132 0.000 1.131 79 R CA 1.348 57.224 56.100 -0.374 0.000 0.960 79 R CB -0.746 29.078 30.300 -0.792 0.000 0.856 79 R HN 0.447 nan 8.270 nan 0.000 0.436 80 A N 0.686 123.436 122.820 -0.116 0.000 1.930 80 A HA -0.051 4.269 4.320 -0.000 0.000 0.217 80 A C 2.347 179.902 177.584 -0.047 0.000 1.175 80 A CA 1.508 53.530 52.037 -0.024 0.000 0.627 80 A CB -0.704 18.221 19.000 -0.125 0.000 0.815 80 A HN 0.550 nan 8.150 nan 0.000 0.443 81 A N 0.012 122.758 122.820 -0.124 0.000 1.902 81 A HA 0.133 4.453 4.320 -0.000 0.000 0.217 81 A C 2.510 180.059 177.584 -0.058 0.000 1.181 81 A CA 2.147 54.117 52.037 -0.110 0.000 0.623 81 A CB -1.030 17.896 19.000 -0.125 0.000 0.818 81 A HN 1.029 nan 8.150 nan 0.000 0.443 82 A N -1.102 121.673 122.820 -0.076 0.000 1.877 82 A HA -0.034 4.285 4.320 -0.000 0.000 0.216 82 A C 1.928 179.448 177.584 -0.107 0.000 1.186 82 A CA 1.574 53.550 52.037 -0.101 0.000 0.620 82 A CB -0.838 18.074 19.000 -0.145 0.000 0.822 82 A HN 0.451 nan 8.150 nan 0.000 0.443 83 F N 0.466 120.340 119.950 -0.128 0.000 2.250 83 F HA -0.075 4.451 4.527 -0.000 0.000 0.301 83 F C 2.447 178.206 175.800 -0.068 0.000 1.077 83 F CA 1.207 59.100 58.000 -0.178 0.000 1.348 83 F CB -0.507 38.200 39.000 -0.488 0.000 1.040 83 F HN 0.293 nan 8.300 nan 0.000 0.509 84 G N -1.560 107.314 108.800 0.124 0.000 2.920 84 G HA2 0.307 4.267 3.960 -0.000 0.000 0.208 84 G HA3 0.307 4.267 3.960 -0.000 0.000 0.208 84 G C 1.460 176.419 174.900 0.098 0.000 1.159 84 G CA 0.405 45.569 45.100 0.107 0.000 0.784 84 G HN 0.643 nan 8.290 nan 0.000 0.535 85 G N -1.018 107.824 108.800 0.069 0.000 2.141 85 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.242 85 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.242 85 G C 0.233 175.136 174.900 0.005 0.000 0.982 85 G CA 0.300 45.434 45.100 0.058 0.000 0.662 85 G HN 0.555 nan 8.290 nan 0.000 0.527 86 T N 1.064 115.610 114.554 -0.013 0.000 2.749 86 T HA 0.529 4.879 4.350 -0.000 0.000 0.287 86 T C 1.420 176.098 174.700 -0.038 0.000 0.970 86 T CA 0.466 62.545 62.100 -0.034 0.000 0.980 86 T CB 1.355 70.197 68.868 -0.043 0.000 0.924 86 T HN 0.595 nan 8.240 nan 0.000 0.456 87 T N -0.480 114.050 114.554 -0.040 0.000 3.023 87 T HA 0.314 4.664 4.350 -0.000 0.000 0.253 87 T C 0.608 175.288 174.700 -0.033 0.000 1.038 87 T CA -0.293 61.786 62.100 -0.036 0.000 0.962 87 T CB 0.379 69.221 68.868 -0.044 0.000 1.018 87 T HN 0.353 nan 8.240 nan 0.000 0.521 88 S N 1.043 116.719 115.700 -0.040 0.000 2.540 88 S HA 0.757 5.227 4.470 -0.000 0.000 0.275 88 S C -0.966 173.605 174.600 -0.048 0.000 1.123 88 S CA -1.030 57.144 58.200 -0.045 0.000 0.907 88 S CB 1.816 64.973 63.200 -0.073 0.000 1.081 88 S HN 0.598 nan 8.310 nan 0.000 0.476 89 I N -1.070 119.479 120.570 -0.036 0.000 2.865 89 I HA 0.890 5.060 4.170 -0.000 0.000 0.302 89 I C -1.492 174.563 176.117 -0.104 0.000 1.140 89 I CA -1.198 60.070 61.300 -0.054 0.000 1.021 89 I CB 2.143 40.133 38.000 -0.017 0.000 1.233 89 I HN 0.317 nan 8.210 nan 0.000 0.427 90 V N 2.928 122.718 119.914 -0.207 0.000 2.380 90 V HA 0.346 4.466 4.120 -0.000 0.000 0.286 90 V C -0.699 175.193 176.094 -0.335 0.000 1.015 90 V CA -0.219 61.830 62.300 -0.419 0.000 0.834 90 V CB 0.955 32.248 31.823 -0.883 0.000 1.009 90 V HN 0.849 nan 8.190 nan 0.000 0.428 91 D N 2.709 123.095 120.400 -0.023 0.000 2.283 91 D HA 0.502 5.142 4.640 -0.000 0.000 0.248 91 D C -0.764 175.606 176.300 0.117 0.000 1.072 91 D CA -0.286 53.823 54.000 0.181 0.000 0.929 91 D CB 0.965 42.135 40.800 0.617 0.000 1.182 91 D HN 0.329 nan 8.370 nan 0.000 0.433 92 F N 2.321 122.409 119.950 0.229 0.000 2.404 92 F HA 0.214 4.741 4.527 -0.000 0.000 0.358 92 F C 0.325 176.030 175.800 -0.158 0.000 1.120 92 F CA -0.817 57.251 58.000 0.113 0.000 1.144 92 F CB 0.790 39.883 39.000 0.154 0.000 1.133 92 F HN 0.249 nan 8.300 nan 0.000 0.495 93 C N 7.623 126.629 119.300 -0.489 0.000 2.349 93 C HA 0.545 5.005 4.460 -0.000 0.000 0.348 93 C C 0.078 174.473 174.990 -0.993 0.000 1.223 93 C CA -0.902 57.128 59.018 -1.646 0.000 1.746 93 C CB -1.635 25.360 27.740 -1.240 0.000 2.360 93 C HN 0.670 nan 8.230 nan 0.000 0.533 94 L N 7.012 127.529 121.223 -1.177 0.000 2.326 94 L HA 0.517 4.857 4.340 -0.000 0.000 0.278 94 L C 0.976 177.628 176.870 -0.363 0.000 1.092 94 L CA 0.045 54.590 54.840 -0.491 0.000 0.810 94 L CB 1.451 43.382 42.059 -0.213 0.000 1.153 94 L HN 0.797 nan 8.230 nan 0.000 0.439 95 T N -0.286 114.133 114.554 -0.226 0.000 2.942 95 T HA 0.637 4.987 4.350 -0.000 0.000 0.289 95 T C -0.619 174.064 174.700 -0.030 0.000 1.044 95 T CA -0.975 61.063 62.100 -0.104 0.000 1.023 95 T CB 2.519 71.339 68.868 -0.080 0.000 1.123 95 T HN 0.424 nan 8.240 nan 0.000 0.512 96 K N 0.697 121.112 120.400 0.025 0.000 2.378 96 K HA 0.452 4.772 4.320 -0.000 0.000 0.252 96 K C -0.397 176.238 176.600 0.058 0.000 0.931 96 K CA -0.879 55.448 56.287 0.068 0.000 0.794 96 K CB 1.459 34.011 32.500 0.087 0.000 1.181 96 K HN 0.534 nan 8.250 nan 0.000 0.425 97 K N 1.824 122.266 120.400 0.070 0.000 2.586 97 K HA -0.027 4.293 4.320 -0.000 0.000 0.280 97 K C 0.415 177.043 176.600 0.046 0.000 0.972 97 K CA 1.974 58.296 56.287 0.058 0.000 1.040 97 K CB -0.093 32.445 32.500 0.063 0.000 0.870 97 K HN 0.867 nan 8.250 nan 0.000 0.497 98 G N 2.556 111.379 108.800 0.039 0.000 2.160 98 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.244 98 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.244 98 G C -0.042 174.877 174.900 0.032 0.000 1.022 98 G CA 0.743 45.863 45.100 0.033 0.000 0.741 98 G HN 0.749 nan 8.290 nan 0.000 0.508 99 E N -0.279 119.940 120.200 0.031 0.000 2.290 99 E HA 0.488 4.838 4.350 -0.000 0.000 0.277 99 E C -0.022 176.590 176.600 0.022 0.000 1.035 99 E CA -0.026 56.389 56.400 0.026 0.000 0.873 99 E CB 1.480 31.193 29.700 0.021 0.000 1.029 99 E HN 0.302 nan 8.360 nan 0.000 0.419 100 S N 5.103 120.816 115.700 0.022 0.000 2.434 100 S HA 0.169 4.639 4.470 -0.000 0.000 0.318 100 S C 1.031 175.640 174.600 0.016 0.000 1.062 100 S CA -0.749 57.463 58.200 0.021 0.000 1.116 100 S CB 0.157 63.372 63.200 0.024 0.000 0.977 100 S HN 0.683 nan 8.310 nan 0.000 0.480 101 L N 4.589 125.818 121.223 0.010 0.000 2.043 101 L HA -0.176 4.164 4.340 -0.000 0.000 0.212 101 L C 2.500 179.374 176.870 0.007 0.000 1.075 101 L CA 1.474 56.314 54.840 0.000 0.000 0.752 101 L CB -0.375 41.687 42.059 0.005 0.000 0.891 101 L HN 0.628 nan 8.230 nan 0.000 0.432 102 K N -0.220 120.192 120.400 0.022 0.000 2.148 102 K HA -0.115 4.204 4.320 -0.000 0.000 0.204 102 K C 2.352 178.976 176.600 0.040 0.000 1.050 102 K CA 1.552 57.859 56.287 0.033 0.000 0.942 102 K CB -0.089 32.431 32.500 0.033 0.000 0.724 102 K HN 0.432 nan 8.250 nan 0.000 0.446 103 S N 0.886 116.608 115.700 0.037 0.000 2.387 103 S HA -0.057 4.413 4.470 -0.000 0.000 0.226 103 S C 2.303 176.943 174.600 0.066 0.000 1.026 103 S CA 0.778 59.007 58.200 0.048 0.000 0.972 103 S CB -0.192 63.033 63.200 0.043 0.000 0.814 103 S HN 0.274 nan 8.310 nan 0.000 0.477 104 A N 2.072 124.922 122.820 0.049 0.000 1.902 104 A HA 0.118 4.438 4.320 -0.000 0.000 0.217 104 A C 2.218 179.839 177.584 0.061 0.000 1.181 104 A CA 1.334 53.407 52.037 0.061 0.000 0.623 104 A CB -0.835 18.140 19.000 -0.041 0.000 0.818 104 A HN 0.551 nan 8.150 nan 0.000 0.443 105 I N -0.289 120.278 120.570 -0.004 0.000 2.226 105 I HA -0.281 3.889 4.170 -0.000 0.000 0.245 105 I C 2.958 179.139 176.117 0.107 0.000 1.100 105 I CA 1.069 62.357 61.300 -0.021 0.000 1.374 105 I CB -0.333 37.688 38.000 0.034 0.000 1.057 105 I HN 0.367 nan 8.210 nan 0.000 0.413 106 A N 0.293 123.193 122.820 0.133 0.000 1.933 106 A HA -0.189 4.131 4.320 -0.000 0.000 0.218 106 A C 2.358 180.024 177.584 0.136 0.000 1.175 106 A CA 2.302 54.429 52.037 0.151 0.000 0.628 106 A CB -1.014 18.037 19.000 0.084 0.000 0.814 106 A HN 0.381 nan 8.150 nan 0.000 0.444 107 T N -1.541 113.093 114.554 0.135 0.000 2.746 107 T HA -0.188 4.162 4.350 -0.000 0.000 0.267 107 T C 1.646 176.383 174.700 0.062 0.000 1.039 107 T CA 1.105 63.278 62.100 0.121 0.000 1.142 107 T CB -0.310 68.682 68.868 0.208 0.000 0.866 107 T HN 0.660 nan 8.240 nan 0.000 0.444 108 W N 0.953 122.110 121.300 -0.238 0.000 2.388 108 W HA -0.098 4.562 4.660 -0.000 0.000 0.294 108 W C 2.299 178.616 176.519 -0.337 0.000 1.212 108 W CA 1.074 58.150 57.345 -0.447 0.000 1.271 108 W CB -0.431 28.419 29.460 -1.018 0.000 1.126 108 W HN 0.528 nan 8.180 nan 0.000 0.535 109 H N -0.460 118.649 119.070 0.065 0.000 2.353 109 H HA -0.199 4.357 4.556 -0.000 0.000 0.300 109 H C 2.089 177.403 175.328 -0.023 0.000 1.090 109 H CA 2.215 58.359 56.048 0.160 0.000 1.327 109 H CB -0.205 29.622 29.762 0.107 0.000 1.383 109 H HN 0.133 nan 8.280 nan 0.000 0.508 110 E N 1.009 121.247 120.200 0.063 0.000 2.153 110 E HA -0.191 4.159 4.350 -0.000 0.000 0.194 110 E C 1.634 178.160 176.600 -0.123 0.000 0.988 110 E CA 1.016 57.405 56.400 -0.019 0.000 0.811 110 E CB 0.141 29.832 29.700 -0.016 0.000 0.746 110 E HN 0.433 nan 8.360 nan 0.000 0.466 111 K N -0.219 120.030 120.400 -0.252 0.000 2.057 111 K HA -0.068 4.252 4.320 -0.000 0.000 0.206 111 K C 2.045 178.348 176.600 -0.495 0.000 1.050 111 K CA 1.097 57.174 56.287 -0.350 0.000 0.935 111 K CB 0.007 32.200 32.500 -0.511 0.000 0.715 111 K HN 0.116 nan 8.250 nan 0.000 0.439 112 A N 1.267 123.610 122.820 -0.794 0.000 1.911 112 A HA -0.025 4.295 4.320 -0.000 0.000 0.212 112 A C 1.054 178.435 177.584 -0.338 0.000 1.189 112 A CA -0.015 51.431 52.037 -0.985 0.000 0.639 112 A CB -0.194 17.820 19.000 -1.642 0.000 0.839 112 A HN 0.157 nan 8.150 nan 0.000 0.449 113 R N 0.236 120.670 120.500 -0.111 0.000 2.501 113 R HA 0.184 4.523 4.340 -0.000 0.000 0.319 113 R C 1.049 177.366 176.300 0.028 0.000 0.913 113 R CA 1.023 57.150 56.100 0.045 0.000 1.104 113 R CB -0.522 29.817 30.300 0.065 0.000 0.901 113 R HN 0.930 nan 8.270 nan 0.000 0.407 114 G N 3.477 112.320 108.800 0.072 0.000 2.143 114 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.248 114 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.248 114 G C 0.319 175.267 174.900 0.080 0.000 0.991 114 G CA 0.704 45.844 45.100 0.067 0.000 0.689 114 G HN 0.638 nan 8.290 nan 0.000 0.522 115 K N -0.417 120.051 120.400 0.112 0.000 2.567 115 K HA 0.621 4.941 4.320 -0.000 0.000 0.199 115 K C 1.399 178.196 176.600 0.329 0.000 1.412 115 K CA 0.688 57.101 56.287 0.210 0.000 1.020 115 K CB -0.008 32.602 32.500 0.184 0.000 1.487 115 K HN 0.848 nan 8.250 nan 0.000 0.531 116 A N 1.286 124.235 122.820 0.216 0.000 2.498 116 A HA 0.198 4.518 4.320 -0.000 0.000 0.239 116 A C 1.095 178.833 177.584 0.256 0.000 1.068 116 A CA 0.320 52.497 52.037 0.233 0.000 0.766 116 A CB 0.116 19.218 19.000 0.170 0.000 1.003 116 A HN 0.194 nan 8.150 nan 0.000 0.497 117 V N 0.696 120.735 119.914 0.209 0.000 3.643 117 V HA 0.385 4.504 4.120 -0.000 0.000 0.280 117 V C 0.530 176.710 176.094 0.143 0.000 1.351 117 V CA 0.777 63.198 62.300 0.201 0.000 1.073 117 V CB -1.721 30.240 31.823 0.230 0.000 0.863 117 V HN 0.772 nan 8.190 nan 0.000 0.436 118 I N -3.053 117.604 120.570 0.146 0.000 3.145 118 I HA 0.699 4.869 4.170 -0.000 0.000 0.313 118 I C -1.170 175.048 176.117 0.169 0.000 1.122 118 I CA -1.002 60.361 61.300 0.105 0.000 0.987 118 I CB 1.672 39.703 38.000 0.052 0.000 1.236 118 I HN -0.195 nan 8.210 nan 0.000 0.453 119 D N 2.074 122.516 120.400 0.069 0.000 2.372 119 D HA 0.350 4.990 4.640 -0.000 0.000 0.243 119 D C -1.056 175.270 176.300 0.043 0.000 1.121 119 D CA 0.825 54.820 54.000 -0.009 0.000 0.898 119 D CB 0.699 41.425 40.800 -0.123 0.000 1.202 119 D HN 0.557 nan 8.370 nan 0.000 0.428 120 Y N -1.745 118.498 120.300 -0.095 0.000 2.553 120 Y HA 0.734 5.284 4.550 -0.000 0.000 0.347 120 Y C -0.119 175.581 175.900 -0.334 0.000 1.019 120 Y CA -1.410 56.609 58.100 -0.136 0.000 1.032 120 Y CB 1.270 39.744 38.460 0.023 0.000 1.284 120 Y HN 0.335 nan 8.280 nan 0.000 0.466 121 G N 1.210 109.837 108.800 -0.288 0.000 2.630 121 G HA2 0.710 4.670 3.960 -0.000 0.000 0.296 121 G HA3 0.710 4.670 3.960 -0.000 0.000 0.296 121 G C -2.240 172.482 174.900 -0.298 0.000 1.285 121 G CA -0.956 43.856 45.100 -0.479 0.000 0.958 121 G HN 0.395 nan 8.290 nan 0.000 0.479 122 F N -0.254 119.682 119.950 -0.023 0.000 2.551 122 F HA 0.497 5.024 4.527 -0.000 0.000 0.316 122 F C 0.184 175.824 175.800 -0.268 0.000 1.089 122 F CA -1.076 56.871 58.000 -0.088 0.000 0.915 122 F CB 2.201 41.234 39.000 0.055 0.000 1.186 122 F HN 0.251 nan 8.300 nan 0.000 0.456 123 H N 2.792 121.840 119.070 -0.037 0.000 2.499 123 H HA 0.472 5.028 4.556 -0.000 0.000 0.340 123 H C -0.803 174.491 175.328 -0.058 0.000 1.148 123 H CA -0.645 55.306 56.048 -0.162 0.000 1.215 123 H CB 2.661 32.099 29.762 -0.540 0.000 1.529 123 H HN 0.431 nan 8.280 nan 0.000 0.510 124 L N 3.848 125.143 121.223 0.121 0.000 2.319 124 L HA 0.281 4.621 4.340 -0.000 0.000 0.281 124 L C 0.026 176.918 176.870 0.037 0.000 1.005 124 L CA -0.615 54.236 54.840 0.020 0.000 0.828 124 L CB 1.229 43.295 42.059 0.011 0.000 1.227 124 L HN 0.516 nan 8.230 nan 0.000 0.415 125 M N 5.624 125.219 119.600 -0.007 0.000 2.217 125 M HA 0.337 4.817 4.480 -0.000 0.000 0.354 125 M C -1.199 175.098 176.300 -0.005 0.000 1.225 125 M CA 0.301 55.605 55.300 0.006 0.000 1.137 125 M CB 0.711 33.308 32.600 -0.005 0.000 1.576 125 M HN 0.500 nan 8.290 nan 0.000 0.461 126 I N 5.293 125.877 120.570 0.024 0.000 2.354 126 I HA 0.273 4.443 4.170 -0.000 0.000 0.286 126 I C 0.702 176.859 176.117 0.066 0.000 1.007 126 I CA -0.386 60.934 61.300 0.032 0.000 1.167 126 I CB 1.685 39.702 38.000 0.029 0.000 1.320 126 I HN 0.992 nan 8.210 nan 0.000 0.458 127 A N 5.108 127.964 122.820 0.060 0.000 1.930 127 A HA 0.085 4.405 4.320 -0.000 0.000 0.215 127 A C 0.779 178.419 177.584 0.092 0.000 1.176 127 A CA 1.040 53.133 52.037 0.094 0.000 0.632 127 A CB 0.163 19.212 19.000 0.082 0.000 0.819 127 A HN 0.736 nan 8.150 nan 0.000 0.445 128 E N -2.483 117.757 120.200 0.067 0.000 2.372 128 E HA 0.566 4.916 4.350 -0.000 0.000 0.279 128 E C -1.528 175.100 176.600 0.046 0.000 0.946 128 E CA -0.346 56.091 56.400 0.061 0.000 0.769 128 E CB 1.825 31.560 29.700 0.058 0.000 1.230 128 E HN 0.145 nan 8.360 nan 0.000 0.442 129 A N 3.494 126.341 122.820 0.044 0.000 3.173 129 A HA 0.306 4.626 4.320 -0.000 0.000 0.304 129 A C -0.515 177.086 177.584 0.030 0.000 1.318 129 A CA -0.615 51.442 52.037 0.032 0.000 1.069 129 A CB -1.010 18.008 19.000 0.030 0.000 1.147 129 A HN 0.534 nan 8.150 nan 0.000 0.547 130 N N -0.718 117.999 118.700 0.028 0.000 2.434 130 N HA 0.237 4.977 4.740 -0.000 0.000 0.266 130 N C 0.118 175.640 175.510 0.020 0.000 1.223 130 N CA -0.548 52.517 53.050 0.026 0.000 0.972 130 N CB 0.569 39.072 38.487 0.027 0.000 1.207 130 N HN 0.084 nan 8.380 nan 0.000 0.525 131 D N -0.652 119.759 120.400 0.018 0.000 2.149 131 D HA -0.260 4.380 4.640 -0.000 0.000 0.194 131 D C 1.511 177.820 176.300 0.014 0.000 1.001 131 D CA 1.608 55.617 54.000 0.015 0.000 0.849 131 D CB -0.246 40.563 40.800 0.015 0.000 0.939 131 D HN 0.798 nan 8.370 nan 0.000 0.449 132 Q N 0.377 120.187 119.800 0.016 0.000 2.020 132 Q HA -0.118 4.221 4.340 -0.000 0.000 0.202 132 Q C 2.129 178.138 176.000 0.016 0.000 0.982 132 Q CA 1.346 57.158 55.803 0.016 0.000 0.838 132 Q CB -0.032 28.716 28.738 0.017 0.000 0.899 132 Q HN 0.093 nan 8.270 nan 0.000 0.423 133 V N 0.569 120.493 119.914 0.017 0.000 2.343 133 V HA -0.243 3.877 4.120 -0.000 0.000 0.247 133 V C 2.224 178.326 176.094 0.013 0.000 1.051 133 V CA 1.264 63.574 62.300 0.016 0.000 1.036 133 V CB -0.541 31.294 31.823 0.019 0.000 0.654 133 V HN 0.369 nan 8.190 nan 0.000 0.451 134 L N -0.117 121.113 121.223 0.011 0.000 2.083 134 L HA -0.149 4.191 4.340 -0.000 0.000 0.209 134 L C 2.442 179.316 176.870 0.007 0.000 1.083 134 L CA 1.721 56.564 54.840 0.006 0.000 0.752 134 L CB -0.957 41.103 42.059 0.002 0.000 0.899 134 L HN 0.428 nan 8.230 nan 0.000 0.433 135 E N -0.887 119.318 120.200 0.009 0.000 2.072 135 E HA -0.186 4.164 4.350 -0.000 0.000 0.190 135 E C 2.006 178.614 176.600 0.013 0.000 0.982 135 E CA 0.907 57.313 56.400 0.010 0.000 0.803 135 E CB -0.039 29.667 29.700 0.011 0.000 0.755 135 E HN 0.559 nan 8.360 nan 0.000 0.453 136 E N 0.680 120.889 120.200 0.014 0.000 2.110 136 E HA -0.190 4.160 4.350 -0.000 0.000 0.193 136 E C 2.082 178.694 176.600 0.020 0.000 0.988 136 E CA 0.454 56.865 56.400 0.017 0.000 0.804 136 E CB -0.038 29.673 29.700 0.018 0.000 0.745 136 E HN 0.063 nan 8.360 nan 0.000 0.458 137 L N 1.756 122.990 121.223 0.017 0.000 2.129 137 L HA -0.238 4.102 4.340 -0.000 0.000 0.212 137 L C 1.920 178.804 176.870 0.023 0.000 1.087 137 L CA 1.719 56.570 54.840 0.019 0.000 0.757 137 L CB -0.341 41.725 42.059 0.013 0.000 0.896 137 L HN 0.122 nan 8.230 nan 0.000 0.434 138 E N -1.682 118.529 120.200 0.019 0.000 2.150 138 E HA -0.164 4.186 4.350 -0.000 0.000 0.193 138 E C 2.155 178.771 176.600 0.026 0.000 0.985 138 E CA 1.304 57.715 56.400 0.019 0.000 0.814 138 E CB -0.081 29.628 29.700 0.014 0.000 0.752 138 E HN 0.456 nan 8.360 nan 0.000 0.466 139 S N 0.519 116.235 115.700 0.027 0.000 2.395 139 S HA -0.085 4.385 4.470 -0.000 0.000 0.225 139 S C 2.091 176.718 174.600 0.044 0.000 1.027 139 S CA 0.489 58.708 58.200 0.032 0.000 0.965 139 S CB 0.092 63.309 63.200 0.028 0.000 0.812 139 S HN 0.144 nan 8.310 nan 0.000 0.482 140 V N 1.973 121.915 119.914 0.048 0.000 2.427 140 V HA -0.060 4.060 4.120 -0.000 0.000 0.248 140 V C 1.670 177.809 176.094 0.076 0.000 1.051 140 V CA 1.481 63.821 62.300 0.066 0.000 1.048 140 V CB -0.362 31.496 31.823 0.059 0.000 0.666 140 V HN 0.486 nan 8.190 nan 0.000 0.456 141 I N -0.285 120.320 120.570 0.059 0.000 2.406 141 I HA -0.115 4.055 4.170 -0.000 0.000 0.249 141 I C 2.484 178.634 176.117 0.054 0.000 1.122 141 I CA 1.563 62.899 61.300 0.059 0.000 1.431 141 I CB -0.310 37.718 38.000 0.047 0.000 1.087 141 I HN 0.282 nan 8.210 nan 0.000 0.424 142 S N -0.059 115.668 115.700 0.046 0.000 2.388 142 S HA -0.037 4.433 4.470 -0.000 0.000 0.223 142 S C 2.094 176.720 174.600 0.044 0.000 1.034 142 S CA 1.192 59.415 58.200 0.038 0.000 0.963 142 S CB 0.105 63.322 63.200 0.029 0.000 0.827 142 S HN 0.321 nan 8.310 nan 0.000 0.481 143 S N 1.039 116.770 115.700 0.052 0.000 2.460 143 S HA 0.131 4.601 4.470 -0.000 0.000 0.226 143 S C 1.471 176.125 174.600 0.090 0.000 1.057 143 S CA 0.190 58.424 58.200 0.057 0.000 0.948 143 S CB -0.084 63.143 63.200 0.044 0.000 0.822 143 S HN 0.318 nan 8.310 nan 0.000 0.512 144 E N 1.098 121.367 120.200 0.114 0.000 2.482 144 E HA 0.134 4.484 4.350 -0.000 0.000 0.196 144 E C 1.227 177.995 176.600 0.279 0.000 1.047 144 E CA 0.510 57.021 56.400 0.186 0.000 0.869 144 E CB -0.401 29.405 29.700 0.177 0.000 0.836 144 E HN 0.558 nan 8.360 nan 0.000 0.520 145 G N 1.953 110.860 108.800 0.178 0.000 2.198 145 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.260 145 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.260 145 G C 0.217 175.192 174.900 0.125 0.000 1.025 145 G CA 0.295 45.473 45.100 0.131 0.000 0.769 145 G HN 0.284 nan 8.290 nan 0.000 0.507 146 I N 1.350 122.011 120.570 0.151 0.000 2.354 146 I HA 0.387 4.557 4.170 -0.000 0.000 0.286 146 I C 1.041 177.221 176.117 0.104 0.000 1.007 146 I CA 0.041 61.423 61.300 0.137 0.000 1.167 146 I CB 1.683 39.784 38.000 0.170 0.000 1.320 146 I HN 0.194 nan 8.210 nan 0.000 0.458 147 T N 0.071 114.687 114.554 0.103 0.000 3.296 147 T HA 0.249 4.599 4.350 -0.000 0.000 0.285 147 T C 0.098 174.880 174.700 0.137 0.000 1.014 147 T CA -0.488 61.676 62.100 0.106 0.000 0.920 147 T CB -0.179 68.747 68.868 0.097 0.000 1.143 147 T HN 0.492 nan 8.240 nan 0.000 0.522 148 S N 1.283 117.085 115.700 0.169 0.000 2.614 148 S HA 0.751 5.221 4.470 -0.000 0.000 0.288 148 S C -0.910 173.779 174.600 0.149 0.000 1.137 148 S CA -0.958 57.365 58.200 0.206 0.000 0.992 148 S CB 1.365 64.829 63.200 0.439 0.000 1.026 148 S HN 0.360 nan 8.310 nan 0.000 0.486 149 L N 2.635 123.908 121.223 0.083 0.000 2.341 149 L HA 0.621 4.961 4.340 -0.000 0.000 0.278 149 L C -0.112 176.776 176.870 0.030 0.000 1.005 149 L CA -0.728 54.146 54.840 0.057 0.000 0.818 149 L CB 1.896 43.972 42.059 0.029 0.000 1.259 149 L HN 0.675 nan 8.230 nan 0.000 0.418 150 K N 2.482 122.898 120.400 0.027 0.000 2.206 150 K HA 0.686 5.006 4.320 -0.000 0.000 0.264 150 K C -1.435 175.063 176.600 -0.170 0.000 0.967 150 K CA -0.541 55.689 56.287 -0.095 0.000 0.844 150 K CB 1.841 34.240 32.500 -0.167 0.000 1.099 150 K HN 0.390 nan 8.250 nan 0.000 0.441 151 V N 5.251 125.045 119.914 -0.200 0.000 2.540 151 V HA 0.411 4.531 4.120 -0.000 0.000 0.302 151 V C -0.900 175.105 176.094 -0.147 0.000 1.035 151 V CA -0.823 61.424 62.300 -0.088 0.000 0.873 151 V CB 1.191 33.017 31.823 0.006 0.000 0.992 151 V HN 0.622 nan 8.190 nan 0.000 0.428 152 F N 4.446 124.461 119.950 0.107 0.000 2.405 152 F HA 0.442 4.969 4.527 -0.000 0.000 0.355 152 F C 1.164 177.050 175.800 0.144 0.000 1.121 152 F CA -0.402 57.699 58.000 0.168 0.000 1.112 152 F CB 1.578 40.738 39.000 0.266 0.000 1.126 152 F HN 0.412 nan 8.300 nan 0.000 0.481 153 M N 2.362 122.130 119.600 0.280 0.000 2.495 153 M HA 0.265 4.745 4.480 -0.000 0.000 0.237 153 M C 0.616 177.003 176.300 0.145 0.000 1.131 153 M CA 0.183 55.597 55.300 0.190 0.000 1.032 153 M CB 0.179 32.871 32.600 0.154 0.000 1.513 153 M HN 0.639 nan 8.290 nan 0.000 0.488 154 A N -1.393 121.489 122.820 0.102 0.000 2.468 154 A HA 0.655 4.975 4.320 -0.000 0.000 0.270 154 A C -0.886 176.653 177.584 -0.075 0.000 1.217 154 A CA -0.533 51.428 52.037 -0.127 0.000 0.908 154 A CB 0.358 19.083 19.000 -0.457 0.000 1.423 154 A HN 0.411 nan 8.150 nan 0.000 0.459 155 Y N -1.320 118.985 120.300 0.008 0.000 3.038 155 Y HA -0.150 4.400 4.550 -0.000 0.000 0.176 155 Y C 0.462 176.334 175.900 -0.046 0.000 1.628 155 Y CA 0.810 58.873 58.100 -0.061 0.000 1.020 155 Y CB -1.807 36.547 38.460 -0.176 0.000 1.423 155 Y HN 0.735 nan 8.280 nan 0.000 0.418 156 K N 2.169 122.625 120.400 0.093 0.000 2.524 156 K HA 0.008 4.328 4.320 -0.000 0.000 0.279 156 K C 0.957 177.578 176.600 0.036 0.000 0.993 156 K CA 0.817 57.144 56.287 0.068 0.000 1.030 156 K CB 0.148 32.683 32.500 0.058 0.000 0.891 156 K HN 0.582 nan 8.250 nan 0.000 0.488 157 N N 1.072 119.793 118.700 0.034 0.000 2.800 157 N HA -0.189 4.551 4.740 -0.000 0.000 0.250 157 N C -0.022 175.466 175.510 -0.036 0.000 1.078 157 N CA 1.046 54.100 53.050 0.008 0.000 0.804 157 N CB -1.139 37.346 38.487 -0.002 0.000 1.135 157 N HN 0.347 nan 8.380 nan 0.000 0.565 158 V N -1.855 118.021 119.914 -0.063 0.000 3.914 158 V HA 0.269 4.388 4.120 -0.000 0.000 0.187 158 V C 0.954 176.996 176.094 -0.087 0.000 1.258 158 V CA 0.581 62.733 62.300 -0.246 0.000 1.298 158 V CB -0.138 31.356 31.823 -0.548 0.000 1.453 158 V HN 0.020 nan 8.190 nan 0.000 0.553 159 F N -0.015 119.907 119.950 -0.046 0.000 2.752 159 F HA 0.422 4.949 4.527 -0.000 0.000 0.310 159 F C 1.130 176.993 175.800 0.104 0.000 1.097 159 F CA -0.966 56.994 58.000 -0.068 0.000 1.238 159 F CB -0.318 38.406 39.000 -0.460 0.000 1.061 159 F HN 0.115 nan 8.300 nan 0.000 0.591 160 Q N 1.661 121.643 119.800 0.303 0.000 2.310 160 Q HA 0.317 4.657 4.340 -0.000 0.000 0.315 160 Q C -0.268 175.860 176.000 0.215 0.000 1.081 160 Q CA 0.117 56.076 55.803 0.259 0.000 0.981 160 Q CB 0.686 29.526 28.738 0.169 0.000 1.184 160 Q HN 0.301 nan 8.270 nan 0.000 0.389 161 A N 3.892 126.836 122.820 0.207 0.000 2.330 161 A HA 0.521 4.841 4.320 -0.000 0.000 0.329 161 A C -1.069 176.589 177.584 0.123 0.000 1.135 161 A CA -0.738 51.393 52.037 0.156 0.000 0.817 161 A CB 1.101 20.194 19.000 0.154 0.000 1.269 161 A HN 0.889 nan 8.150 nan 0.000 0.469 162 D N -0.305 120.154 120.400 0.099 0.000 2.478 162 D HA 0.298 4.938 4.640 -0.000 0.000 0.263 162 D C -0.156 176.193 176.300 0.082 0.000 1.153 162 D CA -0.517 53.532 54.000 0.082 0.000 1.038 162 D CB 0.270 41.110 40.800 0.068 0.000 1.120 162 D HN 0.289 nan 8.370 nan 0.000 0.564 163 D N -0.702 119.738 120.400 0.067 0.000 2.178 163 D HA -0.173 4.467 4.640 -0.000 0.000 0.201 163 D C 1.481 177.843 176.300 0.103 0.000 0.980 163 D CA 1.039 55.081 54.000 0.070 0.000 0.842 163 D CB -0.037 40.779 40.800 0.027 0.000 0.948 163 D HN 0.714 nan 8.370 nan 0.000 0.472 164 E N 0.108 120.361 120.200 0.089 0.000 2.051 164 E HA -0.144 4.206 4.350 -0.000 0.000 0.192 164 E C 1.625 178.299 176.600 0.123 0.000 0.991 164 E CA 1.308 57.775 56.400 0.111 0.000 0.799 164 E CB 0.141 29.887 29.700 0.077 0.000 0.748 164 E HN 0.081 nan 8.360 nan 0.000 0.449 165 T N 1.645 116.257 114.554 0.096 0.000 2.746 165 T HA -0.120 4.229 4.350 -0.000 0.000 0.267 165 T C 1.852 176.601 174.700 0.082 0.000 1.039 165 T CA 0.900 63.049 62.100 0.081 0.000 1.142 165 T CB -0.191 68.725 68.868 0.081 0.000 0.866 165 T HN 0.162 nan 8.240 nan 0.000 0.444 166 L N -0.285 120.999 121.223 0.102 0.000 2.017 166 L HA -0.048 4.292 4.340 -0.000 0.000 0.208 166 L C 2.276 179.216 176.870 0.116 0.000 1.073 166 L CA 1.540 56.438 54.840 0.097 0.000 0.745 166 L CB -0.315 41.807 42.059 0.105 0.000 0.894 166 L HN 0.219 nan 8.230 nan 0.000 0.432 167 F N 0.802 120.749 119.950 -0.004 0.000 2.146 167 F HA -0.227 4.300 4.527 0.000 0.000 0.298 167 F C 2.473 178.263 175.800 -0.016 0.000 1.096 167 F CA 1.632 59.622 58.000 -0.018 0.000 1.275 167 F CB -0.194 38.796 39.000 -0.018 0.000 1.008 167 F HN -0.090 nan 8.300 nan 0.000 0.480 168 K N -0.677 119.716 120.400 -0.012 0.000 2.063 168 K HA -0.158 4.162 4.320 -0.000 0.000 0.208 168 K C 1.975 178.496 176.600 -0.132 0.000 1.048 168 K CA 1.990 58.217 56.287 -0.100 0.000 0.928 168 K CB -0.565 31.938 32.500 0.004 0.000 0.713 168 K HN 0.235 nan 8.250 nan 0.000 0.442 169 T N 1.791 116.302 114.554 -0.072 0.000 2.746 169 T HA -0.113 4.237 4.350 -0.000 0.000 0.267 169 T C 1.642 176.276 174.700 -0.111 0.000 1.039 169 T CA 0.823 62.885 62.100 -0.063 0.000 1.142 169 T CB -0.086 68.769 68.868 -0.021 0.000 0.866 169 T HN -0.001 nan 8.240 nan 0.000 0.444 170 L N 1.642 122.770 121.223 -0.157 0.000 2.046 170 L HA -0.047 4.292 4.340 -0.000 0.000 0.208 170 L C 2.850 179.567 176.870 -0.255 0.000 1.077 170 L CA 1.525 56.248 54.840 -0.195 0.000 0.747 170 L CB -1.452 40.488 42.059 -0.199 0.000 0.896 170 L HN 0.318 nan 8.230 nan 0.000 0.432 171 V N -3.252 116.440 119.914 -0.370 0.000 2.453 171 V HA -0.124 3.996 4.120 -0.000 0.000 0.247 171 V C 2.573 178.560 176.094 -0.179 0.000 1.048 171 V CA 1.096 63.207 62.300 -0.314 0.000 1.049 171 V CB -0.535 31.050 31.823 -0.395 0.000 0.672 171 V HN 0.232 nan 8.190 nan 0.000 0.457 172 K N 1.117 121.427 120.400 -0.149 0.000 2.057 172 K HA 0.008 4.328 4.320 -0.000 0.000 0.207 172 K C 2.341 178.901 176.600 -0.067 0.000 1.049 172 K CA 1.841 58.076 56.287 -0.087 0.000 0.931 172 K CB -0.839 31.623 32.500 -0.064 0.000 0.714 172 K HN 0.623 nan 8.250 nan 0.000 0.440 173 A N 1.364 124.138 122.820 -0.077 0.000 1.933 173 A HA -0.182 4.138 4.320 -0.000 0.000 0.218 173 A C 2.134 179.685 177.584 -0.055 0.000 1.175 173 A CA 1.841 53.843 52.037 -0.058 0.000 0.628 173 A CB -0.358 18.598 19.000 -0.074 0.000 0.814 173 A HN 0.357 nan 8.150 nan 0.000 0.444 174 K N -0.231 120.121 120.400 -0.080 0.000 2.103 174 K HA -0.158 4.162 4.320 -0.000 0.000 0.204 174 K C 1.994 178.577 176.600 -0.028 0.000 1.052 174 K CA 1.523 57.774 56.287 -0.059 0.000 0.945 174 K CB -0.143 32.305 32.500 -0.086 0.000 0.722 174 K HN 0.617 nan 8.250 nan 0.000 0.443 175 E N 0.451 120.627 120.200 -0.040 0.000 2.072 175 E HA -0.127 4.223 4.350 -0.000 0.000 0.191 175 E C 1.760 178.357 176.600 -0.005 0.000 0.985 175 E CA 0.904 57.289 56.400 -0.024 0.000 0.801 175 E CB 0.106 29.785 29.700 -0.035 0.000 0.750 175 E HN 0.326 nan 8.360 nan 0.000 0.452 176 L N -0.807 120.414 121.223 -0.003 0.000 2.567 176 L HA 0.251 4.591 4.340 -0.000 0.000 0.225 176 L C 1.132 178.022 176.870 0.032 0.000 1.119 176 L CA 0.349 55.197 54.840 0.013 0.000 0.871 176 L CB 0.480 42.545 42.059 0.011 0.000 1.036 176 L HN 0.386 nan 8.230 nan 0.000 0.459 177 G N 0.793 109.619 108.800 0.042 0.000 2.204 177 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.244 177 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.244 177 G C 0.109 175.074 174.900 0.108 0.000 1.062 177 G CA 0.065 45.219 45.100 0.091 0.000 0.798 177 G HN 0.466 nan 8.290 nan 0.000 0.496 178 A N -0.473 122.378 122.820 0.052 0.000 2.294 178 A HA 0.873 5.193 4.320 -0.000 0.000 0.330 178 A C 0.147 177.712 177.584 -0.032 0.000 1.133 178 A CA -0.643 51.420 52.037 0.043 0.000 0.836 178 A CB 1.406 20.422 19.000 0.026 0.000 1.190 178 A HN 1.076 nan 8.150 nan 0.000 0.492 179 L N 2.284 123.492 121.223 -0.025 0.000 2.282 179 L HA 0.512 4.852 4.340 -0.000 0.000 0.288 179 L C -1.062 175.774 176.870 -0.056 0.000 1.033 179 L CA -0.666 54.091 54.840 -0.139 0.000 0.807 179 L CB 1.430 43.417 42.059 -0.121 0.000 1.209 179 L HN 0.471 nan 8.230 nan 0.000 0.423 180 V N 5.081 124.953 119.914 -0.070 0.000 2.407 180 V HA 0.316 4.436 4.120 -0.000 0.000 0.278 180 V C -0.168 175.948 176.094 0.037 0.000 1.037 180 V CA -0.515 61.774 62.300 -0.018 0.000 0.900 180 V CB 1.553 33.355 31.823 -0.036 0.000 0.983 180 V HN 0.771 nan 8.190 nan 0.000 0.459 181 Q N 3.295 123.119 119.800 0.041 0.000 2.266 181 Q HA 0.801 5.141 4.340 -0.000 0.000 0.261 181 Q C -0.917 175.076 176.000 -0.012 0.000 0.985 181 Q CA -0.790 55.065 55.803 0.087 0.000 0.873 181 Q CB 2.688 31.466 28.738 0.066 0.000 1.306 181 Q HN 0.714 nan 8.270 nan 0.000 0.447 182 V N -1.913 117.995 119.914 -0.011 0.000 2.841 182 V HA 0.441 4.561 4.120 -0.000 0.000 0.310 182 V C -1.200 174.859 176.094 -0.058 0.000 1.090 182 V CA -1.047 61.222 62.300 -0.053 0.000 0.930 182 V CB 1.682 33.510 31.823 0.009 0.000 1.014 182 V HN 0.924 nan 8.190 nan 0.000 0.425 183 H N 3.724 122.702 119.070 -0.154 0.000 2.761 183 H HA 0.751 5.307 4.556 -0.000 0.000 0.284 183 H C 0.173 175.561 175.328 0.100 0.000 1.105 183 H CA 0.183 56.247 56.048 0.028 0.000 1.352 183 H CB 1.145 31.018 29.762 0.185 0.000 1.423 183 H HN 1.206 nan 8.280 nan 0.000 0.464 184 A N 5.704 128.583 122.820 0.099 0.000 2.444 184 A HA 0.336 4.656 4.320 -0.000 0.000 0.332 184 A C -0.529 177.122 177.584 0.112 0.000 1.430 184 A CA -0.518 51.590 52.037 0.117 0.000 0.975 184 A CB 0.106 19.133 19.000 0.044 0.000 1.147 184 A HN 0.901 nan 8.150 nan 0.000 0.524 185 E N 1.595 121.907 120.200 0.187 0.000 2.304 185 E HA 0.109 4.459 4.350 -0.000 0.000 0.277 185 E C -1.199 175.453 176.600 0.088 0.000 0.898 185 E CA -0.877 55.594 56.400 0.118 0.000 0.764 185 E CB 1.629 31.420 29.700 0.152 0.000 1.216 185 E HN 0.644 nan 8.360 nan 0.000 0.419 186 N N 1.906 120.640 118.700 0.057 0.000 2.416 186 N HA -0.005 4.735 4.740 -0.000 0.000 0.271 186 N C 0.878 176.413 175.510 0.042 0.000 1.245 186 N CA 0.399 53.479 53.050 0.050 0.000 0.940 186 N CB 1.153 39.664 38.487 0.040 0.000 1.175 186 N HN 0.782 nan 8.380 nan 0.000 0.483 187 G N 3.293 112.119 108.800 0.042 0.000 2.442 187 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.219 187 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.219 187 G C 1.025 175.955 174.900 0.049 0.000 1.141 187 G CA 0.554 45.671 45.100 0.028 0.000 0.763 187 G HN 0.616 nan 8.290 nan 0.000 0.554 188 D N 0.392 120.826 120.400 0.057 0.000 2.123 188 D HA -0.109 4.531 4.640 -0.000 0.000 0.200 188 D C 2.970 179.324 176.300 0.089 0.000 0.976 188 D CA 1.648 55.689 54.000 0.069 0.000 0.831 188 D CB -0.430 40.402 40.800 0.054 0.000 0.974 188 D HN 0.363 nan 8.370 nan 0.000 0.469 189 V N -0.216 119.740 119.914 0.070 0.000 2.427 189 V HA -0.165 3.954 4.120 -0.000 0.000 0.248 189 V C 2.440 178.611 176.094 0.129 0.000 1.051 189 V CA 1.080 63.431 62.300 0.086 0.000 1.048 189 V CB -0.955 30.898 31.823 0.049 0.000 0.666 189 V HN 0.103 nan 8.190 nan 0.000 0.456 190 L N 0.565 121.843 121.223 0.092 0.000 2.093 190 L HA -0.114 4.226 4.340 -0.000 0.000 0.208 190 L C 2.528 179.465 176.870 0.112 0.000 1.085 190 L CA 2.380 57.273 54.840 0.089 0.000 0.755 190 L CB -0.923 41.163 42.059 0.045 0.000 0.904 190 L HN 0.452 nan 8.230 nan 0.000 0.435 191 D N -0.474 119.990 120.400 0.108 0.000 2.117 191 D HA -0.266 4.374 4.640 -0.000 0.000 0.198 191 D C 2.140 178.506 176.300 0.109 0.000 0.982 191 D CA 1.105 55.163 54.000 0.097 0.000 0.828 191 D CB -0.046 40.805 40.800 0.085 0.000 0.967 191 D HN 0.270 nan 8.370 nan 0.000 0.464 192 Y N 0.686 121.009 120.300 0.039 0.000 2.133 192 Y HA -0.086 4.464 4.550 -0.000 0.000 0.287 192 Y C 1.948 177.878 175.900 0.049 0.000 1.134 192 Y CA 1.478 59.600 58.100 0.036 0.000 1.133 192 Y CB -0.244 38.234 38.460 0.029 0.000 0.987 192 Y HN -0.002 nan 8.280 nan 0.000 0.502 193 L N -0.862 120.497 121.223 0.227 0.000 2.131 193 L HA -0.246 4.094 4.340 -0.000 0.000 0.210 193 L C 2.338 179.266 176.870 0.097 0.000 1.092 193 L CA 1.707 56.640 54.840 0.155 0.000 0.759 193 L CB -0.887 41.279 42.059 0.180 0.000 0.903 193 L HN 0.261 nan 8.230 nan 0.000 0.435 194 T N -0.260 114.366 114.554 0.120 0.000 2.668 194 T HA -0.168 4.181 4.350 -0.000 0.000 0.262 194 T C 1.910 176.653 174.700 0.072 0.000 1.045 194 T CA 1.261 63.477 62.100 0.192 0.000 1.152 194 T CB -0.035 68.933 68.868 0.166 0.000 0.864 194 T HN 0.285 nan 8.240 nan 0.000 0.419 195 K N 1.100 121.475 120.400 -0.042 0.000 2.044 195 K HA -0.178 4.142 4.320 -0.000 0.000 0.210 195 K C 2.376 178.897 176.600 -0.131 0.000 1.049 195 K CA 1.417 57.640 56.287 -0.107 0.000 0.927 195 K CB -0.235 32.175 32.500 -0.150 0.000 0.713 195 K HN 0.293 nan 8.250 nan 0.000 0.443 196 K N 1.175 121.446 120.400 -0.214 0.000 2.020 196 K HA -0.217 4.102 4.320 -0.000 0.000 0.212 196 K C 2.204 178.759 176.600 -0.075 0.000 1.050 196 K CA 1.677 57.849 56.287 -0.191 0.000 0.929 196 K CB -0.244 32.111 32.500 -0.241 0.000 0.714 196 K HN 0.154 nan 8.250 nan 0.000 0.443 197 A N 1.281 124.098 122.820 -0.005 0.000 1.940 197 A HA -0.134 4.186 4.320 -0.000 0.000 0.219 197 A C 2.175 179.753 177.584 -0.008 0.000 1.176 197 A CA 1.511 53.553 52.037 0.008 0.000 0.631 197 A CB -0.567 18.513 19.000 0.134 0.000 0.814 197 A HN 0.387 nan 8.150 nan 0.000 0.446 198 L N -1.177 120.054 121.223 0.014 0.000 2.109 198 L HA -0.126 4.214 4.340 -0.000 0.000 0.207 198 L C 3.053 179.890 176.870 -0.056 0.000 1.086 198 L CA 0.885 55.705 54.840 -0.034 0.000 0.760 198 L CB -0.516 41.487 42.059 -0.094 0.000 0.910 198 L HN 0.444 nan 8.230 nan 0.000 0.437 199 A N -0.100 122.681 122.820 -0.065 0.000 1.969 199 A HA -0.185 4.135 4.320 -0.000 0.000 0.218 199 A C 1.934 179.486 177.584 -0.053 0.000 1.169 199 A CA 1.337 53.337 52.037 -0.062 0.000 0.635 199 A CB -0.313 18.644 19.000 -0.073 0.000 0.810 199 A HN 0.434 nan 8.150 nan 0.000 0.445 200 E N -1.358 118.806 120.200 -0.060 0.000 2.476 200 E HA 0.285 4.635 4.350 -0.000 0.000 0.191 200 E C 1.035 177.594 176.600 -0.069 0.000 1.064 200 E CA 0.226 56.591 56.400 -0.059 0.000 0.866 200 E CB -0.120 29.542 29.700 -0.063 0.000 0.952 200 E HN 0.704 nan 8.360 nan 0.000 0.492 201 G N 1.999 110.760 108.800 -0.066 0.000 2.155 201 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.257 201 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.257 201 G C -0.099 174.747 174.900 -0.089 0.000 0.983 201 G CA -0.163 44.903 45.100 -0.056 0.000 0.676 201 G HN 0.215 nan 8.290 nan 0.000 0.528 202 N N 1.190 119.766 118.700 -0.208 0.000 2.508 202 N HA 0.311 5.051 4.740 -0.000 0.000 0.253 202 N C 1.345 176.751 175.510 -0.174 0.000 1.145 202 N CA 0.861 53.600 53.050 -0.518 0.000 0.973 202 N CB 1.057 38.769 38.487 -1.292 0.000 1.305 202 N HN 0.560 nan 8.380 nan 0.000 0.506 203 T N -3.263 111.348 114.554 0.096 0.000 3.044 203 T HA 0.111 4.461 4.350 -0.000 0.000 0.260 203 T C 0.391 175.368 174.700 0.462 0.000 1.019 203 T CA -0.357 61.935 62.100 0.320 0.000 0.921 203 T CB 0.405 69.368 68.868 0.157 0.000 1.053 203 T HN 0.046 nan 8.240 nan 0.000 0.533 204 D N 3.208 123.884 120.400 0.460 0.000 2.400 204 D HA 0.172 4.812 4.640 -0.000 0.000 0.238 204 D C -1.511 174.953 176.300 0.273 0.000 1.157 204 D CA -1.936 52.277 54.000 0.355 0.000 0.889 204 D CB 1.220 42.187 40.800 0.278 0.000 1.199 204 D HN 0.035 nan 8.370 nan 0.000 0.436 205 P HA -0.139 nan 4.420 nan 0.000 0.217 205 P C 1.543 178.734 177.300 -0.180 0.000 1.148 205 P CA 0.461 63.541 63.100 -0.033 0.000 0.828 205 P CB 0.277 31.838 31.700 -0.231 0.000 0.783 206 I N -1.713 118.684 120.570 -0.288 0.000 2.454 206 I HA -0.207 3.962 4.170 -0.000 0.000 0.254 206 I C 1.313 176.927 176.117 -0.838 0.000 1.156 206 I CA 1.604 62.564 61.300 -0.566 0.000 1.433 206 I CB -0.831 36.797 38.000 -0.620 0.000 1.082 206 I HN 0.003 nan 8.210 nan 0.000 0.432 207 Y N -0.392 119.587 120.300 -0.535 0.000 2.616 207 Y HA -0.200 4.349 4.550 -0.000 0.000 0.296 207 Y C 2.491 177.812 175.900 -0.966 0.000 1.154 207 Y CA 1.234 58.944 58.100 -0.650 0.000 1.325 207 Y CB -0.811 37.296 38.460 -0.588 0.000 1.007 207 Y HN 0.374 nan 8.280 nan 0.000 0.542 208 H N -0.357 118.230 119.070 -0.806 0.000 2.357 208 H HA -0.093 4.463 4.556 -0.000 0.000 0.301 208 H C 2.187 177.354 175.328 -0.268 0.000 1.082 208 H CA 1.528 57.295 56.048 -0.468 0.000 1.342 208 H CB 0.022 29.685 29.762 -0.166 0.000 1.389 208 H HN 0.192 nan 8.280 nan 0.000 0.511 209 A N -0.214 122.386 122.820 -0.365 0.000 1.929 209 A HA -0.105 4.215 4.320 -0.000 0.000 0.216 209 A C 1.800 179.287 177.584 -0.163 0.000 1.176 209 A CA 1.155 53.013 52.037 -0.298 0.000 0.628 209 A CB -0.826 17.976 19.000 -0.329 0.000 0.816 209 A HN 0.537 nan 8.150 nan 0.000 0.444 210 Y N 1.336 121.522 120.300 -0.189 0.000 2.421 210 Y HA -0.082 4.468 4.550 -0.000 0.000 0.292 210 Y C 2.663 178.527 175.900 -0.060 0.000 1.136 210 Y CA 1.148 59.185 58.100 -0.105 0.000 1.255 210 Y CB -1.285 37.132 38.460 -0.072 0.000 0.991 210 Y HN 0.460 nan 8.280 nan 0.000 0.552 211 T N -0.823 113.753 114.554 0.037 0.000 3.129 211 T HA 0.080 4.430 4.350 -0.000 0.000 0.251 211 T C 0.558 175.272 174.700 0.023 0.000 1.117 211 T CA -0.234 61.898 62.100 0.052 0.000 1.034 211 T CB -0.346 68.570 68.868 0.080 0.000 0.968 211 T HN 0.322 nan 8.240 nan 0.000 0.526 212 R N 0.370 120.855 120.500 -0.024 0.000 2.718 212 R HA 0.405 4.745 4.340 -0.000 0.000 0.266 212 R C -3.527 172.768 176.300 -0.008 0.000 1.776 212 R CA -1.811 54.275 56.100 -0.024 0.000 1.567 212 R CB 0.109 30.363 30.300 -0.078 0.000 1.336 212 R HN 0.138 nan 8.270 nan 0.000 0.619 213 P HA 0.098 nan 4.420 nan 0.000 0.269 213 P C -1.865 175.442 177.300 0.012 0.000 1.217 213 P CA -0.966 62.152 63.100 0.031 0.000 0.783 213 P CB 0.499 32.224 31.700 0.043 0.000 0.898 214 P HA -0.205 nan 4.420 nan 0.000 0.215 214 P C 1.293 178.595 177.300 0.004 0.000 1.157 214 P CA 1.528 64.621 63.100 -0.011 0.000 0.874 214 P CB -0.142 31.559 31.700 0.002 0.000 0.790 215 E N -0.643 119.572 120.200 0.025 0.000 2.209 215 E HA -0.168 4.182 4.350 -0.000 0.000 0.196 215 E C 1.953 178.564 176.600 0.019 0.000 0.993 215 E CA 1.350 57.765 56.400 0.026 0.000 0.819 215 E CB -0.645 29.074 29.700 0.032 0.000 0.745 215 E HN 0.211 nan 8.360 nan 0.000 0.477 216 A N 0.910 123.741 122.820 0.018 0.000 2.014 216 A HA -0.172 4.148 4.320 -0.000 0.000 0.218 216 A C 2.070 179.665 177.584 0.019 0.000 1.163 216 A CA 1.416 53.466 52.037 0.021 0.000 0.652 216 A CB -0.234 18.780 19.000 0.024 0.000 0.808 216 A HN 0.243 nan 8.150 nan 0.000 0.449 217 E N -0.571 119.631 120.200 0.003 0.000 2.122 217 E HA -0.013 4.337 4.350 -0.000 0.000 0.190 217 E C 2.047 178.645 176.600 -0.004 0.000 0.977 217 E CA 0.697 57.092 56.400 -0.008 0.000 0.820 217 E CB -0.318 29.353 29.700 -0.050 0.000 0.770 217 E HN 0.476 nan 8.360 nan 0.000 0.462 218 G N 1.501 110.300 108.800 -0.002 0.000 2.421 218 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.216 218 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.216 218 G C 1.509 176.418 174.900 0.015 0.000 1.171 218 G CA 0.772 45.876 45.100 0.005 0.000 0.775 218 G HN 0.230 nan 8.290 nan 0.000 0.543 219 E N 1.297 121.509 120.200 0.019 0.000 2.038 219 E HA -0.133 4.217 4.350 -0.000 0.000 0.195 219 E C 2.853 179.470 176.600 0.028 0.000 1.000 219 E CA 1.418 57.832 56.400 0.023 0.000 0.803 219 E CB -0.548 29.165 29.700 0.022 0.000 0.750 219 E HN 0.252 nan 8.360 nan 0.000 0.448 220 A N 0.296 123.136 122.820 0.033 0.000 1.908 220 A HA -0.167 4.153 4.320 -0.000 0.000 0.218 220 A C 2.494 180.101 177.584 0.039 0.000 1.181 220 A CA 2.356 54.419 52.037 0.044 0.000 0.627 220 A CB -1.050 17.987 19.000 0.061 0.000 0.818 220 A HN 0.394 nan 8.150 nan 0.000 0.445 221 T N -0.283 114.287 114.554 0.027 0.000 2.746 221 T HA -0.052 4.298 4.350 -0.000 0.000 0.267 221 T C 1.963 176.681 174.700 0.030 0.000 1.039 221 T CA 1.507 63.618 62.100 0.019 0.000 1.142 221 T CB -0.646 68.222 68.868 0.000 0.000 0.866 221 T HN 0.595 nan 8.240 nan 0.000 0.444 222 G N 1.167 109.986 108.800 0.033 0.000 2.418 222 G HA2 -0.238 3.721 3.960 -0.000 0.000 0.217 222 G HA3 -0.238 3.721 3.960 -0.000 0.000 0.217 222 G C 1.564 176.496 174.900 0.053 0.000 1.158 222 G CA 0.888 46.015 45.100 0.046 0.000 0.771 222 G HN 0.439 nan 8.290 nan 0.000 0.545 223 R N 0.598 121.123 120.500 0.041 0.000 2.073 223 R HA 0.021 4.361 4.340 -0.000 0.000 0.234 223 R C 2.822 179.146 176.300 0.040 0.000 1.134 223 R CA 1.701 57.822 56.100 0.035 0.000 0.952 223 R CB -0.478 29.841 30.300 0.031 0.000 0.850 223 R HN 0.256 nan 8.270 nan 0.000 0.433 224 A N 0.785 123.632 122.820 0.044 0.000 1.933 224 A HA -0.131 4.189 4.320 -0.000 0.000 0.218 224 A C 2.177 179.783 177.584 0.037 0.000 1.175 224 A CA 1.499 53.563 52.037 0.044 0.000 0.628 224 A CB -0.501 18.523 19.000 0.039 0.000 0.814 224 A HN 0.409 nan 8.150 nan 0.000 0.444 225 I N -0.475 120.125 120.570 0.049 0.000 2.202 225 I HA -0.245 3.925 4.170 -0.000 0.000 0.242 225 I C 2.994 179.137 176.117 0.043 0.000 1.091 225 I CA 0.985 62.329 61.300 0.072 0.000 1.368 225 I CB -0.372 37.709 38.000 0.135 0.000 1.058 225 I HN 0.354 nan 8.210 nan 0.000 0.410 226 A N 0.975 123.832 122.820 0.061 0.000 1.908 226 A HA -0.175 4.145 4.320 -0.000 0.000 0.218 226 A C 2.296 179.842 177.584 -0.063 0.000 1.181 226 A CA 1.444 53.486 52.037 0.008 0.000 0.627 226 A CB -0.858 18.165 19.000 0.039 0.000 0.818 226 A HN 0.397 nan 8.150 nan 0.000 0.445 227 L N -0.875 120.348 121.223 -0.001 0.000 2.141 227 L HA -0.138 4.202 4.340 -0.000 0.000 0.209 227 L C 2.691 179.621 176.870 0.101 0.000 1.094 227 L CA 1.688 56.581 54.840 0.089 0.000 0.763 227 L CB -0.926 41.224 42.059 0.152 0.000 0.908 227 L HN 0.359 nan 8.230 nan 0.000 0.437 228 T N -0.042 114.497 114.554 -0.026 0.000 2.777 228 T HA -0.104 4.246 4.350 -0.000 0.000 0.266 228 T C 2.037 176.590 174.700 -0.245 0.000 1.040 228 T CA 1.243 63.280 62.100 -0.105 0.000 1.141 228 T CB -0.101 68.705 68.868 -0.103 0.000 0.868 228 T HN 0.432 nan 8.240 nan 0.000 0.444 229 A N 1.249 123.800 122.820 -0.448 0.000 1.902 229 A HA 0.047 4.367 4.320 -0.000 0.000 0.217 229 A C 2.271 179.590 177.584 -0.442 0.000 1.181 229 A CA 1.127 52.653 52.037 -0.852 0.000 0.623 229 A CB -0.855 17.154 19.000 -1.653 0.000 0.818 229 A HN 0.462 nan 8.150 nan 0.000 0.443 230 L N -1.029 120.072 121.223 -0.205 0.000 2.131 230 L HA -0.161 4.179 4.340 -0.000 0.000 0.210 230 L C 2.758 179.704 176.870 0.127 0.000 1.092 230 L CA 0.991 55.822 54.840 -0.015 0.000 0.759 230 L CB -0.275 41.795 42.059 0.018 0.000 0.903 230 L HN 0.455 nan 8.230 nan 0.000 0.435 231 A N -0.795 122.090 122.820 0.108 0.000 2.238 231 A HA 0.289 4.608 4.320 -0.000 0.000 0.210 231 A C 1.674 179.180 177.584 -0.129 0.000 1.179 231 A CA 0.593 52.587 52.037 -0.071 0.000 0.827 231 A CB -0.250 18.573 19.000 -0.295 0.000 0.856 231 A HN 0.441 nan 8.150 nan 0.000 0.488 232 G N -0.075 108.632 108.800 -0.154 0.000 2.305 232 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.287 232 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.287 232 G C 0.424 175.244 174.900 -0.132 0.000 1.036 232 G CA 0.837 45.844 45.100 -0.155 0.000 0.887 232 G HN 0.814 nan 8.290 nan 0.000 0.505 233 S N -0.742 114.864 115.700 -0.157 0.000 2.561 233 S HA 0.787 5.256 4.470 -0.000 0.000 0.282 233 S C 0.042 174.542 174.600 -0.166 0.000 1.123 233 S CA 0.377 58.487 58.200 -0.149 0.000 1.011 233 S CB 0.801 63.903 63.200 -0.162 0.000 1.244 233 S HN 0.805 nan 8.310 nan 0.000 0.503 234 Q N 1.210 120.876 119.800 -0.225 0.000 2.347 234 Q HA 0.642 4.982 4.340 -0.000 0.000 0.271 234 Q C -1.691 174.187 176.000 -0.204 0.000 1.064 234 Q CA -0.794 54.836 55.803 -0.289 0.000 0.800 234 Q CB 1.628 29.936 28.738 -0.716 0.000 1.304 234 Q HN 0.482 nan 8.270 nan 0.000 0.438 235 L N 2.554 123.718 121.223 -0.100 0.000 2.370 235 L HA 0.631 4.971 4.340 -0.000 0.000 0.266 235 L C -1.971 174.982 176.870 0.139 0.000 1.002 235 L CA -0.788 54.049 54.840 -0.004 0.000 0.818 235 L CB 2.178 44.225 42.059 -0.019 0.000 1.325 235 L HN 0.690 nan 8.230 nan 0.000 0.418 236 Y N 4.431 124.742 120.300 0.017 0.000 2.327 236 Y HA 0.621 5.171 4.550 -0.000 0.000 0.325 236 Y C -1.298 174.623 175.900 0.034 0.000 0.999 236 Y CA -0.882 57.261 58.100 0.071 0.000 1.195 236 Y CB 1.471 39.965 38.460 0.057 0.000 1.132 236 Y HN 0.349 nan 8.280 nan 0.000 0.455 237 V N 7.745 127.581 119.914 -0.131 0.000 2.408 237 V HA 0.284 4.404 4.120 -0.000 0.000 0.267 237 V C 0.281 176.256 176.094 -0.199 0.000 1.047 237 V CA -0.605 61.629 62.300 -0.109 0.000 0.937 237 V CB 0.557 32.319 31.823 -0.101 0.000 0.999 237 V HN 0.666 nan 8.190 nan 0.000 0.472 238 V N 3.027 122.882 119.914 -0.097 0.000 3.003 238 V HA 0.390 4.509 4.120 -0.000 0.000 0.305 238 V C 0.628 176.575 176.094 -0.245 0.000 1.078 238 V CA -0.562 61.668 62.300 -0.117 0.000 1.083 238 V CB 0.223 31.923 31.823 -0.205 0.000 1.039 238 V HN 1.269 nan 8.190 nan 0.000 0.481 239 H N 0.230 119.414 119.070 0.190 0.000 1.946 239 H HA -0.119 4.437 4.556 -0.000 0.000 0.312 239 H C -0.461 174.788 175.328 -0.132 0.000 0.830 239 H CA 0.350 56.452 56.048 0.090 0.000 1.033 239 H CB -2.582 27.295 29.762 0.193 0.000 1.553 239 H HN 0.659 nan 8.280 nan 0.000 0.287 240 V N 2.327 122.243 119.914 0.003 0.000 2.470 240 V HA 0.142 4.262 4.120 -0.000 0.000 0.276 240 V C 1.453 177.389 176.094 -0.264 0.000 1.040 240 V CA 0.645 62.877 62.300 -0.113 0.000 1.008 240 V CB 1.219 32.984 31.823 -0.096 0.000 0.990 240 V HN 0.954 nan 8.190 nan 0.000 0.477 241 S N 2.823 118.276 115.700 -0.411 0.000 2.505 241 S HA 0.104 4.574 4.470 -0.000 0.000 0.216 241 S C 0.574 174.983 174.600 -0.319 0.000 1.018 241 S CA 0.207 58.060 58.200 -0.579 0.000 0.911 241 S CB 0.229 62.852 63.200 -0.962 0.000 0.818 241 S HN 0.873 nan 8.310 nan 0.000 0.497 242 C N -0.718 118.435 119.300 -0.244 0.000 3.044 242 C HA 0.966 5.426 4.460 -0.000 0.000 0.315 242 C C 1.841 176.740 174.990 -0.150 0.000 1.320 242 C CA -0.412 58.470 59.018 -0.226 0.000 1.582 242 C CB 0.938 28.553 27.740 -0.210 0.000 2.039 242 C HN 0.322 nan 8.230 nan 0.000 0.466 243 A N 0.858 123.590 122.820 -0.147 0.000 1.940 243 A HA -0.096 4.224 4.320 -0.000 0.000 0.219 243 A C 2.390 179.988 177.584 0.024 0.000 1.176 243 A CA 2.573 54.605 52.037 -0.009 0.000 0.631 243 A CB -1.199 17.889 19.000 0.147 0.000 0.814 243 A HN 1.316 nan 8.150 nan 0.000 0.446 244 S N -0.487 115.225 115.700 0.020 0.000 2.370 244 S HA -0.081 4.388 4.470 -0.000 0.000 0.226 244 S C 2.122 176.723 174.600 0.001 0.000 1.033 244 S CA 1.730 59.946 58.200 0.028 0.000 1.011 244 S CB -0.432 62.785 63.200 0.028 0.000 0.852 244 S HN 0.824 nan 8.310 nan 0.000 0.457 245 A N 1.124 123.927 122.820 -0.028 0.000 1.897 245 A HA 0.054 4.373 4.320 -0.000 0.000 0.215 245 A C 2.446 180.011 177.584 -0.031 0.000 1.181 245 A CA 1.596 53.613 52.037 -0.034 0.000 0.620 245 A CB -1.158 17.806 19.000 -0.060 0.000 0.821 245 A HN 0.932 nan 8.150 nan 0.000 0.443 246 V N -1.759 118.133 119.914 -0.036 0.000 2.407 246 V HA -0.323 3.797 4.120 -0.000 0.000 0.248 246 V C 2.240 178.324 176.094 -0.015 0.000 1.055 246 V CA 2.517 64.799 62.300 -0.030 0.000 1.049 246 V CB -1.243 30.565 31.823 -0.024 0.000 0.662 246 V HN 0.629 nan 8.190 nan 0.000 0.455 247 Q N -0.066 119.733 119.800 -0.001 0.000 2.061 247 Q HA -0.278 4.062 4.340 -0.000 0.000 0.204 247 Q C 2.493 178.487 176.000 -0.010 0.000 0.984 247 Q CA 2.383 58.188 55.803 0.003 0.000 0.846 247 Q CB -0.066 28.684 28.738 0.021 0.000 0.902 247 Q HN 0.567 nan 8.270 nan 0.000 0.421 248 R N 0.022 120.519 120.500 -0.006 0.000 2.096 248 R HA -0.046 4.294 4.340 -0.000 0.000 0.235 248 R C 2.059 178.351 176.300 -0.012 0.000 1.127 248 R CA 1.238 57.336 56.100 -0.003 0.000 0.968 248 R CB -0.283 30.024 30.300 0.011 0.000 0.861 248 R HN 0.349 nan 8.270 nan 0.000 0.440 249 I N -0.282 120.276 120.570 -0.020 0.000 2.252 249 I HA -0.243 3.927 4.170 -0.000 0.000 0.245 249 I C 2.238 178.325 176.117 -0.050 0.000 1.102 249 I CA 1.270 62.551 61.300 -0.033 0.000 1.385 249 I CB -0.365 37.608 38.000 -0.045 0.000 1.064 249 I HN 0.203 nan 8.210 nan 0.000 0.414 250 A N 0.232 123.024 122.820 -0.045 0.000 1.902 250 A HA -0.275 4.045 4.320 -0.000 0.000 0.217 250 A C 2.293 179.826 177.584 -0.085 0.000 1.181 250 A CA 1.947 53.952 52.037 -0.053 0.000 0.623 250 A CB -0.646 18.335 19.000 -0.032 0.000 0.818 250 A HN 0.477 nan 8.150 nan 0.000 0.443 251 E N -0.278 119.869 120.200 -0.089 0.000 2.051 251 E HA -0.152 4.198 4.350 -0.000 0.000 0.192 251 E C 2.178 178.631 176.600 -0.245 0.000 0.991 251 E CA 1.092 57.409 56.400 -0.139 0.000 0.799 251 E CB -0.253 29.383 29.700 -0.106 0.000 0.748 251 E HN 0.550 nan 8.360 nan 0.000 0.449 252 A N 1.153 123.851 122.820 -0.203 0.000 1.972 252 A HA -0.163 4.157 4.320 -0.000 0.000 0.219 252 A C 2.099 179.512 177.584 -0.284 0.000 1.169 252 A CA 1.199 53.068 52.037 -0.281 0.000 0.635 252 A CB -0.400 18.655 19.000 0.092 0.000 0.810 252 A HN 0.166 nan 8.150 nan 0.000 0.446 253 R N -0.341 120.057 120.500 -0.170 0.000 2.092 253 R HA -0.106 4.234 4.340 -0.000 0.000 0.231 253 R C 1.920 178.122 176.300 -0.164 0.000 1.119 253 R CA 1.385 57.402 56.100 -0.138 0.000 0.970 253 R CB -0.333 29.909 30.300 -0.096 0.000 0.864 253 R HN 0.671 nan 8.270 nan 0.000 0.440 254 E N 0.816 120.901 120.200 -0.191 0.000 2.153 254 E HA -0.165 4.185 4.350 -0.000 0.000 0.194 254 E C 1.335 177.793 176.600 -0.237 0.000 0.988 254 E CA 1.036 57.330 56.400 -0.177 0.000 0.811 254 E CB 0.076 29.678 29.700 -0.164 0.000 0.746 254 E HN 0.290 nan 8.360 nan 0.000 0.466 255 K N -0.525 119.624 120.400 -0.419 0.000 2.487 255 K HA 0.065 4.385 4.320 -0.000 0.000 0.192 255 K C 0.944 177.324 176.600 -0.367 0.000 1.027 255 K CA 0.433 56.393 56.287 -0.545 0.000 1.054 255 K CB 0.623 32.416 32.500 -1.179 0.000 0.824 255 K HN 0.211 nan 8.250 nan 0.000 0.510 256 G N 1.105 109.787 108.800 -0.197 0.000 2.162 256 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.260 256 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.260 256 G C -0.328 174.668 174.900 0.161 0.000 0.976 256 G CA -0.261 44.835 45.100 -0.008 0.000 0.655 256 G HN 0.156 nan 8.290 nan 0.000 0.533 257 W N 0.900 122.161 121.300 -0.065 0.000 2.170 257 W HA 0.407 5.067 4.660 -0.000 0.000 0.336 257 W C 0.770 177.195 176.519 -0.157 0.000 1.283 257 W CA -1.272 56.022 57.345 -0.085 0.000 1.224 257 W CB -0.211 29.200 29.460 -0.081 0.000 1.132 257 W HN 0.131 nan 8.180 nan 0.000 0.571 258 N N 1.379 120.113 118.700 0.056 0.000 2.895 258 N HA 0.199 4.939 4.740 -0.000 0.000 0.277 258 N C -1.035 174.246 175.510 -0.381 0.000 1.185 258 N CA -0.173 52.781 53.050 -0.160 0.000 1.106 258 N CB 0.223 38.719 38.487 0.014 0.000 1.422 258 N HN -0.063 nan 8.380 nan 0.000 0.521 259 V N 2.664 122.258 119.914 -0.534 0.000 2.531 259 V HA 0.379 4.498 4.120 -0.000 0.000 0.301 259 V C -0.829 174.879 176.094 -0.643 0.000 1.034 259 V CA -0.706 61.344 62.300 -0.417 0.000 0.865 259 V CB 0.746 32.497 31.823 -0.119 0.000 0.995 259 V HN 0.314 nan 8.190 nan 0.000 0.424 260 Y N 1.966 122.255 120.300 -0.018 0.000 2.562 260 Y HA 0.878 5.428 4.550 -0.000 0.000 0.343 260 Y C 0.668 176.425 175.900 -0.239 0.000 1.025 260 Y CA -0.842 57.216 58.100 -0.070 0.000 1.082 260 Y CB 2.362 40.835 38.460 0.021 0.000 1.264 260 Y HN 0.709 nan 8.280 nan 0.000 0.478 261 G N 0.363 109.086 108.800 -0.128 0.000 2.612 261 G HA2 0.574 4.534 3.960 -0.000 0.000 0.298 261 G HA3 0.574 4.534 3.960 -0.000 0.000 0.298 261 G C -1.985 172.732 174.900 -0.305 0.000 1.336 261 G CA -0.773 44.162 45.100 -0.275 0.000 0.953 261 G HN 0.550 nan 8.290 nan 0.000 0.482 262 E N -0.169 119.848 120.200 -0.306 0.000 2.317 262 E HA 0.704 5.054 4.350 -0.000 0.000 0.270 262 E C -0.772 175.824 176.600 -0.007 0.000 0.885 262 E CA -0.576 55.755 56.400 -0.114 0.000 0.760 262 E CB 2.159 31.840 29.700 -0.033 0.000 1.227 262 E HN 0.443 nan 8.360 nan 0.000 0.434 263 T N 0.539 115.114 114.554 0.036 0.000 2.858 263 T HA 0.640 4.990 4.350 -0.000 0.000 0.285 263 T C -0.626 174.142 174.700 0.113 0.000 1.052 263 T CA -0.575 61.566 62.100 0.068 0.000 1.009 263 T CB 1.173 70.022 68.868 -0.032 0.000 1.241 263 T HN 0.602 nan 8.240 nan 0.000 0.542 264 C N 0.893 120.288 119.300 0.158 0.000 2.898 264 C HA 0.492 4.952 4.460 -0.000 0.000 0.304 264 C C -1.559 173.400 174.990 -0.052 0.000 1.237 264 C CA -1.439 57.605 59.018 0.044 0.000 1.529 264 C CB 1.772 29.513 27.740 0.001 0.000 2.021 264 C HN 0.636 nan 8.230 nan 0.000 0.474 265 P HA -0.246 nan 4.420 nan 0.000 0.216 265 P C 1.707 179.036 177.300 0.048 0.000 1.157 265 P CA 1.793 64.884 63.100 -0.016 0.000 0.880 265 P CB -0.017 31.696 31.700 0.021 0.000 0.791 266 Q N -1.020 118.735 119.800 -0.076 0.000 2.135 266 Q HA -0.215 4.125 4.340 -0.000 0.000 0.204 266 Q C 1.499 177.407 176.000 -0.153 0.000 0.981 266 Q CA 1.903 57.609 55.803 -0.161 0.000 0.856 266 Q CB -1.548 26.759 28.738 -0.717 0.000 0.902 266 Q HN 0.339 nan 8.270 nan 0.000 0.425 267 Y N -0.067 120.257 120.300 0.041 0.000 2.544 267 Y HA 0.087 4.637 4.550 -0.000 0.000 0.286 267 Y C 1.805 177.681 175.900 -0.040 0.000 1.141 267 Y CA 0.085 58.193 58.100 0.013 0.000 1.299 267 Y CB 0.137 38.576 38.460 -0.036 0.000 1.030 267 Y HN 0.036 nan 8.280 nan 0.000 0.543 268 L N -1.264 119.975 121.223 0.027 0.000 2.416 268 L HA 0.243 4.583 4.340 -0.000 0.000 0.216 268 L C 1.853 178.827 176.870 0.174 0.000 1.098 268 L CA 0.885 55.669 54.840 -0.094 0.000 0.840 268 L CB -0.570 41.253 42.059 -0.392 0.000 0.981 268 L HN 0.126 nan 8.230 nan 0.000 0.462 269 A N -2.105 120.840 122.820 0.208 0.000 2.551 269 A HA 0.474 4.794 4.320 -0.000 0.000 0.252 269 A C 0.367 178.103 177.584 0.252 0.000 1.199 269 A CA -0.144 52.053 52.037 0.267 0.000 0.972 269 A CB 0.395 19.553 19.000 0.263 0.000 1.153 269 A HN 0.111 nan 8.150 nan 0.000 0.559 270 L N 0.933 122.283 121.223 0.212 0.000 2.333 270 L HA 0.536 4.876 4.340 -0.000 0.000 0.263 270 L C -1.289 175.635 176.870 0.090 0.000 1.014 270 L CA -0.942 53.978 54.840 0.132 0.000 0.820 270 L CB 2.208 44.349 42.059 0.136 0.000 1.352 270 L HN 0.438 nan 8.230 nan 0.000 0.421 271 D N -0.075 120.330 120.400 0.008 0.000 2.570 271 D HA 0.194 4.834 4.640 -0.000 0.000 0.244 271 D C 0.701 176.957 176.300 -0.074 0.000 1.178 271 D CA -0.563 53.439 54.000 0.003 0.000 0.881 271 D CB 2.107 42.920 40.800 0.021 0.000 1.453 271 D HN 0.298 nan 8.370 nan 0.000 0.447 272 V N -0.318 119.561 119.914 -0.058 0.000 2.439 272 V HA -0.313 3.807 4.120 -0.000 0.000 0.253 272 V C 2.426 178.435 176.094 -0.141 0.000 1.074 272 V CA 2.441 64.673 62.300 -0.113 0.000 1.076 272 V CB -1.813 29.965 31.823 -0.076 0.000 0.664 272 V HN 0.720 nan 8.190 nan 0.000 0.461 273 S N 0.630 116.274 115.700 -0.093 0.000 2.440 273 S HA -0.156 4.314 4.470 -0.000 0.000 0.238 273 S C 1.918 176.434 174.600 -0.140 0.000 1.010 273 S CA 1.830 59.978 58.200 -0.086 0.000 0.972 273 S CB -0.929 62.246 63.200 -0.042 0.000 0.774 273 S HN 0.679 nan 8.310 nan 0.000 0.501 274 I N -0.061 120.373 120.570 -0.228 0.000 3.428 274 I HA 0.127 4.297 4.170 -0.000 0.000 0.286 274 I C 1.907 177.834 176.117 -0.317 0.000 1.287 274 I CA 0.513 61.616 61.300 -0.329 0.000 1.396 274 I CB -0.070 37.573 38.000 -0.594 0.000 1.062 274 I HN 0.343 nan 8.210 nan 0.000 0.471 275 M N -0.741 118.701 119.600 -0.262 0.000 2.476 275 M HA -0.019 4.461 4.480 -0.000 0.000 0.262 275 M C 0.496 176.692 176.300 -0.173 0.000 1.111 275 M CA 0.590 55.769 55.300 -0.201 0.000 1.127 275 M CB -0.135 32.306 32.600 -0.266 0.000 1.376 275 M HN 0.057 nan 8.290 nan 0.000 0.465 276 D N 2.613 122.920 120.400 -0.156 0.000 2.517 276 D HA 0.122 4.762 4.640 -0.000 0.000 0.220 276 D C -0.737 175.522 176.300 -0.069 0.000 1.158 276 D CA 0.364 54.296 54.000 -0.114 0.000 0.992 276 D CB 0.216 40.964 40.800 -0.087 0.000 1.058 276 D HN 0.333 nan 8.370 nan 0.000 0.516 277 Q N 2.268 122.035 119.800 -0.055 0.000 2.372 277 Q HA 0.281 4.621 4.340 -0.000 0.000 0.273 277 Q C -1.685 174.316 176.000 0.002 0.000 1.078 277 Q CA -1.697 54.091 55.803 -0.025 0.000 0.806 277 Q CB 2.227 30.949 28.738 -0.026 0.000 1.332 277 Q HN 0.078 nan 8.270 nan 0.000 0.435 278 P HA -0.309 nan 4.420 nan 0.000 0.211 278 P C 0.181 177.522 177.300 0.068 0.000 0.948 278 P CA 1.581 64.704 63.100 0.039 0.000 1.010 278 P CB 0.167 31.888 31.700 0.035 0.000 0.737 279 D N -1.639 118.814 120.400 0.088 0.000 1.794 279 D HA -0.049 4.591 4.640 -0.000 0.000 0.292 279 D C 1.117 177.557 176.300 0.234 0.000 1.061 279 D CA 0.581 54.669 54.000 0.148 0.000 0.940 279 D CB -0.826 40.069 40.800 0.159 0.000 1.238 279 D HN 0.125 nan 8.370 nan 0.000 0.432 280 F N 0.489 120.508 119.950 0.116 0.000 2.668 280 F HA 0.092 4.619 4.527 -0.000 0.000 0.301 280 F C 1.784 177.723 175.800 0.232 0.000 1.106 280 F CA -0.308 57.783 58.000 0.151 0.000 1.289 280 F CB 0.436 39.503 39.000 0.112 0.000 1.006 280 F HN -0.075 nan 8.300 nan 0.000 0.535 281 E N 0.514 120.758 120.200 0.074 0.000 2.085 281 E HA -0.193 4.157 4.350 -0.000 0.000 0.194 281 E C 2.366 178.778 176.600 -0.313 0.000 0.994 281 E CA 1.326 57.599 56.400 -0.212 0.000 0.801 281 E CB -0.575 29.047 29.700 -0.130 0.000 0.743 281 E HN 0.589 nan 8.360 nan 0.000 0.453 282 G N 1.025 109.702 108.800 -0.205 0.000 2.479 282 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.220 282 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.220 282 G C 1.666 176.347 174.900 -0.366 0.000 1.115 282 G CA 1.003 45.996 45.100 -0.179 0.000 0.757 282 G HN 0.370 nan 8.290 nan 0.000 0.560 283 A N 0.617 123.084 122.820 -0.589 0.000 2.076 283 A HA -0.003 4.317 4.320 -0.000 0.000 0.220 283 A C 2.234 179.505 177.584 -0.522 0.000 1.160 283 A CA 1.728 53.366 52.037 -0.666 0.000 0.653 283 A CB -0.292 17.955 19.000 -1.254 0.000 0.801 283 A HN 0.419 nan 8.150 nan 0.000 0.455 284 K N -1.537 118.428 120.400 -0.725 0.000 2.283 284 K HA -0.112 4.208 4.320 -0.000 0.000 0.202 284 K C 0.135 176.189 176.600 -0.911 0.000 1.048 284 K CA 1.209 56.897 56.287 -0.998 0.000 0.948 284 K CB -0.165 31.376 32.500 -1.599 0.000 0.742 284 K HN 0.709 nan 8.250 nan 0.000 0.458 285 Y N -0.132 119.820 120.300 -0.579 0.000 2.708 285 Y HA 0.166 4.716 4.550 -0.000 0.000 0.287 285 Y C -0.076 174.971 175.900 -1.421 0.000 1.145 285 Y CA -0.641 56.745 58.100 -1.191 0.000 1.249 285 Y CB 0.359 38.304 38.460 -0.858 0.000 1.152 285 Y HN -0.308 nan 8.280 nan 0.000 0.532 286 V N 2.338 121.796 119.914 -0.761 0.000 2.389 286 V HA 0.206 4.326 4.120 -0.000 0.000 0.264 286 V C -0.648 175.231 176.094 -0.358 0.000 1.049 286 V CA -0.470 61.441 62.300 -0.648 0.000 0.932 286 V CB -0.906 30.582 31.823 -0.558 0.000 1.011 286 V HN 0.484 nan 8.190 nan 0.000 0.475 287 W N 2.896 124.172 121.300 -0.041 0.000 3.066 287 W HA 0.772 5.432 4.660 -0.000 0.000 0.330 287 W C -1.001 175.704 176.519 0.309 0.000 1.253 287 W CA -1.218 56.185 57.345 0.097 0.000 1.187 287 W CB 0.751 30.262 29.460 0.084 0.000 1.434 287 W HN 0.190 nan 8.180 nan 0.000 0.572 288 S N 2.068 118.141 115.700 0.621 0.000 2.502 288 S HA 0.669 5.139 4.470 -0.000 0.000 0.304 288 S C -2.598 172.136 174.600 0.223 0.000 1.097 288 S CA -1.148 57.349 58.200 0.495 0.000 1.045 288 S CB 1.823 65.341 63.200 0.531 0.000 1.019 288 S HN 0.187 nan 8.310 nan 0.000 0.481 289 P HA 0.251 nan 4.420 nan 0.000 0.270 289 P C -2.454 175.054 177.300 0.348 0.000 1.223 289 P CA -1.138 61.984 63.100 0.037 0.000 0.785 289 P CB -0.169 31.389 31.700 -0.238 0.000 0.923 290 P HA 0.124 nan 4.420 nan 0.000 0.276 290 P C -0.262 177.244 177.300 0.344 0.000 1.261 290 P CA -0.174 63.088 63.100 0.271 0.000 0.800 290 P CB 0.688 32.415 31.700 0.045 0.000 1.066 291 L N 0.943 122.327 121.223 0.269 0.000 2.483 291 L HA 0.133 4.473 4.340 -0.000 0.000 0.275 291 L C 1.535 178.472 176.870 0.112 0.000 1.220 291 L CA 0.159 55.169 54.840 0.284 0.000 0.833 291 L CB -0.128 41.995 42.059 0.107 0.000 1.102 291 L HN 0.365 nan 8.230 nan 0.000 0.490 292 R N 0.967 121.515 120.500 0.080 0.000 3.029 292 R HA 0.423 4.763 4.340 -0.000 0.000 0.239 292 R C -0.742 175.527 176.300 -0.051 0.000 1.351 292 R CA -1.044 55.034 56.100 -0.037 0.000 1.052 292 R CB 0.542 30.757 30.300 -0.143 0.000 1.354 292 R HN 0.506 nan 8.270 nan 0.000 0.499 293 E N 1.401 121.544 120.200 -0.095 0.000 2.392 293 E HA -0.020 4.330 4.350 -0.000 0.000 0.264 293 E C 0.759 177.334 176.600 -0.042 0.000 1.024 293 E CA 0.114 56.515 56.400 0.001 0.000 0.903 293 E CB 0.826 30.629 29.700 0.172 0.000 0.963 293 E HN 0.307 nan 8.360 nan 0.000 0.432 294 K N 3.025 123.467 120.400 0.070 0.000 2.218 294 K HA -0.214 4.106 4.320 -0.000 0.000 0.205 294 K C 1.788 178.463 176.600 0.126 0.000 1.046 294 K CA 1.745 58.086 56.287 0.089 0.000 0.933 294 K CB -0.121 32.447 32.500 0.115 0.000 0.728 294 K HN 0.687 nan 8.250 nan 0.000 0.454 295 W N 1.356 122.694 121.300 0.064 0.000 2.392 295 W HA -0.111 4.549 4.660 -0.000 0.000 0.279 295 W C 0.855 177.418 176.519 0.073 0.000 1.225 295 W CA 1.434 58.817 57.345 0.063 0.000 1.233 295 W CB -0.768 28.719 29.460 0.045 0.000 1.122 295 W HN 0.043 nan 8.180 nan 0.000 0.561 296 N N 0.605 118.885 118.700 -0.701 0.000 2.364 296 N HA -0.195 4.544 4.740 -0.000 0.000 0.183 296 N C 1.722 177.123 175.510 -0.182 0.000 1.022 296 N CA 1.926 54.591 53.050 -0.641 0.000 0.883 296 N CB -0.405 37.675 38.487 -0.678 0.000 0.965 296 N HN 0.458 nan 8.380 nan 0.000 0.438 297 Q N 0.346 120.126 119.800 -0.033 0.000 2.084 297 Q HA -0.127 4.213 4.340 -0.000 0.000 0.202 297 Q C 1.381 177.523 176.000 0.236 0.000 0.978 297 Q CA 0.893 56.756 55.803 0.100 0.000 0.844 297 Q CB 0.018 28.879 28.738 0.205 0.000 0.898 297 Q HN 0.414 nan 8.270 nan 0.000 0.426 298 E N 0.301 120.646 120.200 0.242 0.000 2.077 298 E HA -0.142 4.207 4.350 -0.000 0.000 0.193 298 E C 2.244 178.979 176.600 0.225 0.000 0.989 298 E CA 1.006 57.568 56.400 0.270 0.000 0.800 298 E CB -0.289 29.544 29.700 0.221 0.000 0.746 298 E HN 0.188 nan 8.360 nan 0.000 0.452 299 V N 1.672 121.680 119.914 0.157 0.000 2.332 299 V HA -0.240 3.880 4.120 -0.000 0.000 0.248 299 V C 2.430 178.568 176.094 0.073 0.000 1.055 299 V CA 1.233 63.602 62.300 0.114 0.000 1.038 299 V CB -0.461 31.413 31.823 0.084 0.000 0.651 299 V HN 0.180 nan 8.190 nan 0.000 0.450 300 L N -1.469 119.765 121.223 0.019 0.000 2.027 300 L HA -0.114 4.226 4.340 -0.000 0.000 0.206 300 L C 2.250 179.114 176.870 -0.009 0.000 1.074 300 L CA 1.916 56.721 54.840 -0.057 0.000 0.745 300 L CB -1.563 40.391 42.059 -0.175 0.000 0.898 300 L HN 0.422 nan 8.230 nan 0.000 0.433 301 W N -0.028 121.294 121.300 0.036 0.000 2.363 301 W HA -0.189 4.471 4.660 -0.000 0.000 0.296 301 W C 2.794 179.332 176.519 0.033 0.000 1.212 301 W CA 1.130 58.497 57.345 0.037 0.000 1.260 301 W CB -0.260 29.221 29.460 0.036 0.000 1.131 301 W HN 0.043 nan 8.180 nan 0.000 0.530 302 S N -0.002 115.861 115.700 0.271 0.000 2.383 302 S HA -0.157 4.313 4.470 -0.000 0.000 0.227 302 S C 1.947 176.620 174.600 0.121 0.000 1.026 302 S CA 1.292 59.593 58.200 0.168 0.000 0.981 302 S CB -0.709 62.568 63.200 0.129 0.000 0.818 302 S HN 0.290 nan 8.310 nan 0.000 0.472 303 A N 1.251 124.128 122.820 0.095 0.000 1.930 303 A HA 0.058 4.378 4.320 -0.000 0.000 0.217 303 A C 2.063 179.683 177.584 0.059 0.000 1.175 303 A CA 0.979 53.049 52.037 0.055 0.000 0.627 303 A CB -0.581 18.432 19.000 0.021 0.000 0.815 303 A HN 0.451 nan 8.150 nan 0.000 0.443 304 L N -0.879 120.392 121.223 0.081 0.000 2.109 304 L HA -0.129 4.211 4.340 -0.000 0.000 0.207 304 L C 2.589 179.532 176.870 0.121 0.000 1.086 304 L CA 1.661 56.554 54.840 0.089 0.000 0.760 304 L CB -0.347 41.768 42.059 0.093 0.000 0.910 304 L HN 0.445 nan 8.230 nan 0.000 0.437 305 K N 0.771 121.263 120.400 0.152 0.000 2.057 305 K HA -0.148 4.172 4.320 -0.000 0.000 0.207 305 K C 1.239 177.887 176.600 0.080 0.000 1.049 305 K CA 1.639 58.000 56.287 0.124 0.000 0.931 305 K CB 0.011 32.585 32.500 0.123 0.000 0.714 305 K HN 0.380 nan 8.250 nan 0.000 0.440 306 N N -0.910 117.832 118.700 0.069 0.000 2.268 306 N HA 0.083 4.823 4.740 -0.000 0.000 0.204 306 N C -0.006 175.527 175.510 0.039 0.000 1.124 306 N CA 0.276 53.354 53.050 0.047 0.000 0.838 306 N CB 0.970 39.481 38.487 0.040 0.000 0.994 306 N HN 0.406 nan 8.380 nan 0.000 0.489 307 G N 1.049 109.876 108.800 0.045 0.000 2.148 307 G HA2 -0.272 3.687 3.960 -0.000 0.000 0.254 307 G HA3 -0.272 3.687 3.960 -0.000 0.000 0.254 307 G C 0.760 175.680 174.900 0.034 0.000 0.981 307 G CA 0.022 45.147 45.100 0.041 0.000 0.670 307 G HN 0.347 nan 8.290 nan 0.000 0.528 308 I N -0.495 120.090 120.570 0.025 0.000 2.353 308 I HA 0.158 4.327 4.170 -0.000 0.000 0.248 308 I C 1.383 177.503 176.117 0.004 0.000 1.119 308 I CA 0.980 62.285 61.300 0.008 0.000 1.417 308 I CB -0.074 37.929 38.000 0.005 0.000 1.078 308 I HN 0.130 nan 8.210 nan 0.000 0.421 309 L N 1.072 122.301 121.223 0.010 0.000 2.346 309 L HA 0.255 4.595 4.340 -0.000 0.000 0.274 309 L C 0.502 177.386 176.870 0.024 0.000 1.007 309 L CA -0.468 54.369 54.840 -0.004 0.000 0.818 309 L CB 1.780 43.822 42.059 -0.027 0.000 1.284 309 L HN 0.126 nan 8.230 nan 0.000 0.424 310 Q N 0.159 119.980 119.800 0.035 0.000 2.280 310 Q HA 0.156 4.496 4.340 -0.000 0.000 0.244 310 Q C 0.366 176.402 176.000 0.059 0.000 0.847 310 Q CA 0.115 55.951 55.803 0.056 0.000 0.945 310 Q CB 0.970 29.761 28.738 0.088 0.000 1.115 310 Q HN 0.717 nan 8.270 nan 0.000 0.513 311 T N -2.072 112.522 114.554 0.068 0.000 2.907 311 T HA 0.745 5.095 4.350 -0.000 0.000 0.290 311 T C -0.694 174.059 174.700 0.088 0.000 1.066 311 T CA -0.801 61.367 62.100 0.114 0.000 1.012 311 T CB 2.286 71.314 68.868 0.265 0.000 1.184 311 T HN -0.098 nan 8.240 nan 0.000 0.522 312 V N 1.020 120.992 119.914 0.096 0.000 2.524 312 V HA 0.743 4.863 4.120 -0.000 0.000 0.297 312 V C 0.545 176.699 176.094 0.101 0.000 1.035 312 V CA -0.304 62.039 62.300 0.071 0.000 0.867 312 V CB 1.286 33.122 31.823 0.021 0.000 1.004 312 V HN 1.348 nan 8.190 nan 0.000 0.426 313 G N 2.233 111.116 108.800 0.139 0.000 2.735 313 G HA2 0.581 4.541 3.960 -0.000 0.000 0.301 313 G HA3 0.581 4.541 3.960 -0.000 0.000 0.301 313 G C 0.724 175.667 174.900 0.072 0.000 1.279 313 G CA 0.281 45.470 45.100 0.148 0.000 1.019 313 G HN 0.760 nan 8.290 nan 0.000 0.497 314 S N -1.675 114.052 115.700 0.044 0.000 2.502 314 S HA 0.113 4.583 4.470 -0.000 0.000 0.228 314 S C 0.821 175.360 174.600 -0.101 0.000 1.061 314 S CA 1.270 59.458 58.200 -0.020 0.000 0.935 314 S CB 0.115 63.319 63.200 0.008 0.000 0.809 314 S HN 0.863 nan 8.310 nan 0.000 0.510 315 D N 0.876 121.202 120.400 -0.124 0.000 2.809 315 D HA -0.214 4.426 4.640 -0.000 0.000 0.234 315 D C -0.371 175.986 176.300 0.096 0.000 1.111 315 D CA 0.573 54.435 54.000 -0.230 0.000 0.726 315 D CB -2.570 37.985 40.800 -0.409 0.000 1.089 315 D HN 0.750 nan 8.370 nan 0.000 0.436 316 H N 0.446 119.534 119.070 0.030 0.000 3.145 316 H HA 0.320 4.876 4.556 -0.000 0.000 0.288 316 H C -0.104 175.295 175.328 0.118 0.000 0.969 316 H CA 1.077 57.134 56.048 0.015 0.000 1.444 316 H CB 0.290 30.033 29.762 -0.031 0.000 1.500 316 H HN 0.286 nan 8.280 nan 0.000 0.552 317 C N 10.027 129.180 119.300 -0.246 0.000 3.319 317 C HA 0.281 4.741 4.460 -0.000 0.000 0.258 317 C C -2.935 171.858 174.990 -0.328 0.000 1.068 317 C CA -1.184 57.731 59.018 -0.172 0.000 1.193 317 C CB -0.507 27.295 27.740 0.103 0.000 1.770 317 C HN 0.741 nan 8.230 nan 0.000 0.604 318 P HA 0.464 nan 4.420 nan 0.000 0.279 318 P C -1.029 175.919 177.300 -0.588 0.000 1.239 318 P CA 0.240 63.073 63.100 -0.446 0.000 0.789 318 P CB 0.921 32.339 31.700 -0.469 0.000 0.933 319 F N 0.616 120.583 119.950 0.028 0.000 2.574 319 F HA 0.279 4.806 4.527 -0.000 0.000 0.313 319 F C 0.700 176.622 175.800 0.203 0.000 1.130 319 F CA -0.880 57.173 58.000 0.088 0.000 0.936 319 F CB 1.474 40.514 39.000 0.067 0.000 1.219 319 F HN 0.143 nan 8.300 nan 0.000 0.445 320 N N 2.605 121.515 118.700 0.350 0.000 2.441 320 N HA 0.006 4.746 4.740 -0.000 0.000 0.251 320 N C 0.932 176.669 175.510 0.378 0.000 1.242 320 N CA 0.140 53.406 53.050 0.359 0.000 0.898 320 N CB 0.675 39.304 38.487 0.236 0.000 1.100 320 N HN 0.749 nan 8.380 nan 0.000 0.443 321 F N 1.296 121.364 119.950 0.197 0.000 2.113 321 F HA -0.044 4.483 4.527 -0.000 0.000 0.297 321 F C 1.022 176.867 175.800 0.074 0.000 1.103 321 F CA 0.881 58.879 58.000 -0.004 0.000 1.248 321 F CB 0.315 39.186 39.000 -0.215 0.000 0.999 321 F HN 0.263 nan 8.300 nan 0.000 0.475 322 R N 0.291 120.819 120.500 0.046 0.000 2.202 322 R HA 0.371 4.711 4.340 -0.000 0.000 0.334 322 R C 0.491 176.790 176.300 -0.002 0.000 1.036 322 R CA 0.304 56.362 56.100 -0.069 0.000 0.878 322 R CB 0.576 30.889 30.300 0.021 0.000 1.067 322 R HN 0.457 nan 8.270 nan 0.000 0.457 323 G N 2.134 110.907 108.800 -0.045 0.000 2.232 323 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.226 323 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.226 323 G C 0.563 175.488 174.900 0.041 0.000 0.996 323 G CA 0.427 45.529 45.100 0.003 0.000 0.626 323 G HN 0.564 nan 8.290 nan 0.000 0.509 324 Q N -1.297 118.545 119.800 0.070 0.000 2.361 324 Q HA 0.258 4.598 4.340 -0.000 0.000 0.182 324 Q C 2.114 178.151 176.000 0.062 0.000 0.650 324 Q CA -0.077 55.800 55.803 0.123 0.000 0.842 324 Q CB 0.002 28.916 28.738 0.292 0.000 1.211 324 Q HN 0.114 nan 8.270 nan 0.000 0.502 325 K N 1.655 122.112 120.400 0.096 0.000 2.160 325 K HA -0.198 4.121 4.320 -0.000 0.000 0.206 325 K C 1.635 178.337 176.600 0.170 0.000 1.047 325 K CA 1.256 57.600 56.287 0.095 0.000 0.930 325 K CB -0.045 32.551 32.500 0.160 0.000 0.720 325 K HN 0.268 nan 8.250 nan 0.000 0.450 326 E N 0.743 120.945 120.200 0.004 0.000 2.331 326 E HA -0.121 4.229 4.350 -0.000 0.000 0.199 326 E C 1.761 178.245 176.600 -0.194 0.000 1.008 326 E CA 0.306 56.583 56.400 -0.205 0.000 0.843 326 E CB -0.072 29.453 29.700 -0.292 0.000 0.761 326 E HN 0.220 nan 8.360 nan 0.000 0.507 327 L N -0.819 120.367 121.223 -0.061 0.000 2.265 327 L HA -0.079 4.261 4.340 -0.000 0.000 0.215 327 L C 2.039 178.887 176.870 -0.038 0.000 1.117 327 L CA 0.922 55.730 54.840 -0.053 0.000 0.782 327 L CB -0.077 41.980 42.059 -0.002 0.000 0.914 327 L HN 0.186 nan 8.230 nan 0.000 0.441 328 G N -1.281 107.551 108.800 0.053 0.000 3.383 328 G HA2 -0.011 3.949 3.960 -0.000 0.000 0.251 328 G HA3 -0.011 3.949 3.960 -0.000 0.000 0.251 328 G C 1.324 176.298 174.900 0.123 0.000 1.203 328 G CA -0.379 44.796 45.100 0.125 0.000 0.852 328 G HN 0.058 nan 8.290 nan 0.000 0.531 329 R N 0.831 121.174 120.500 -0.262 0.000 2.103 329 R HA -0.100 4.240 4.340 -0.000 0.000 0.242 329 R C 2.623 178.859 176.300 -0.107 0.000 1.142 329 R CA 1.420 57.224 56.100 -0.494 0.000 0.960 329 R CB -1.021 28.927 30.300 -0.588 0.000 0.858 329 R HN 0.340 nan 8.270 nan 0.000 0.439 330 G N 1.177 109.931 108.800 -0.077 0.000 2.448 330 G HA2 -0.136 3.824 3.960 -0.000 0.000 0.218 330 G HA3 -0.136 3.824 3.960 -0.000 0.000 0.218 330 G C 0.076 174.985 174.900 0.016 0.000 1.135 330 G CA 0.804 45.885 45.100 -0.032 0.000 0.784 330 G HN 0.495 nan 8.290 nan 0.000 0.543 331 D N -1.525 118.897 120.400 0.037 0.000 2.747 331 D HA -0.009 4.631 4.640 -0.000 0.000 0.218 331 D C 0.736 177.044 176.300 0.014 0.000 1.230 331 D CA -0.803 53.209 54.000 0.020 0.000 0.774 331 D CB -0.093 40.625 40.800 -0.137 0.000 1.667 331 D HN 0.167 nan 8.370 nan 0.000 0.499 332 F N 0.993 121.015 119.950 0.120 0.000 2.236 332 F HA -0.161 4.366 4.527 -0.000 0.000 0.302 332 F C 2.116 177.974 175.800 0.096 0.000 1.073 332 F CA 1.576 59.641 58.000 0.109 0.000 1.336 332 F CB -1.200 37.885 39.000 0.142 0.000 1.040 332 F HN 0.402 nan 8.300 nan 0.000 0.507 333 T N -2.906 111.328 114.554 -0.534 0.000 3.035 333 T HA -0.015 4.335 4.350 -0.000 0.000 0.268 333 T C 1.453 176.117 174.700 -0.060 0.000 1.109 333 T CA 0.584 62.530 62.100 -0.256 0.000 1.119 333 T CB -0.314 68.325 68.868 -0.383 0.000 0.900 333 T HN 0.262 nan 8.240 nan 0.000 0.503 334 K N 0.701 121.071 120.400 -0.050 0.000 2.404 334 K HA 0.354 4.674 4.320 -0.000 0.000 0.194 334 K C 0.466 177.106 176.600 0.066 0.000 1.023 334 K CA -0.089 56.210 56.287 0.020 0.000 1.094 334 K CB 0.161 32.650 32.500 -0.018 0.000 0.841 334 K HN 0.511 nan 8.250 nan 0.000 0.523 335 I N 5.003 125.594 120.570 0.036 0.000 2.396 335 I HA 0.058 4.228 4.170 -0.000 0.000 0.289 335 I C -2.050 173.932 176.117 -0.225 0.000 1.056 335 I CA -2.033 59.249 61.300 -0.030 0.000 1.365 335 I CB 0.815 38.794 38.000 -0.035 0.000 1.407 335 I HN -0.209 nan 8.210 nan 0.000 0.509 336 P HA 0.022 nan 4.420 nan 0.000 0.267 336 P C -0.954 175.877 177.300 -0.781 0.000 1.209 336 P CA 0.099 62.481 63.100 -1.196 0.000 0.763 336 P CB 0.331 30.919 31.700 -1.854 0.000 0.816 337 N N 1.491 119.833 118.700 -0.597 0.000 2.529 337 N HA 0.482 5.222 4.740 -0.000 0.000 0.278 337 N C 0.414 175.991 175.510 0.112 0.000 1.146 337 N CA 0.017 52.974 53.050 -0.156 0.000 0.980 337 N CB 0.690 39.178 38.487 0.001 0.000 1.124 337 N HN 0.641 nan 8.380 nan 0.000 0.458 338 G N -0.460 108.519 108.800 0.299 0.000 2.402 338 G HA2 0.298 4.258 3.960 -0.000 0.000 0.666 338 G HA3 0.298 4.258 3.960 -0.000 0.000 0.666 338 G C -0.994 174.156 174.900 0.418 0.000 1.402 338 G CA -0.650 44.664 45.100 0.356 0.000 0.920 338 G HN 0.781 nan 8.290 nan 0.000 0.651 339 G N -0.023 108.917 108.800 0.232 0.000 2.658 339 G HA2 0.901 4.861 3.960 -0.000 0.000 0.292 339 G HA3 0.901 4.861 3.960 -0.000 0.000 0.292 339 G C -2.944 171.891 174.900 -0.109 0.000 1.320 339 G CA -1.302 43.898 45.100 0.167 0.000 0.933 339 G HN 0.632 nan 8.290 nan 0.000 0.476 340 P HA 0.295 nan 4.420 nan 0.000 0.262 340 P C -0.051 177.287 177.300 0.063 0.000 1.620 340 P CA -0.270 62.783 63.100 -0.078 0.000 1.089 340 P CB 0.823 32.385 31.700 -0.230 0.000 1.601 341 L N 2.814 124.185 121.223 0.247 0.000 2.817 341 L HA 0.284 4.624 4.340 -0.000 0.000 0.248 341 L C 2.281 179.182 176.870 0.052 0.000 1.133 341 L CA -0.029 54.886 54.840 0.125 0.000 0.935 341 L CB 0.023 42.070 42.059 -0.020 0.000 1.266 341 L HN 0.171 nan 8.230 nan 0.000 0.535 342 I N 0.629 121.127 120.570 -0.120 0.000 2.335 342 I HA -0.305 3.865 4.170 -0.000 0.000 0.251 342 I C 2.413 178.415 176.117 -0.191 0.000 1.129 342 I CA 1.613 62.719 61.300 -0.323 0.000 1.402 342 I CB 0.362 37.863 38.000 -0.831 0.000 1.069 342 I HN 0.408 nan 8.210 nan 0.000 0.424 343 E N 0.242 120.349 120.200 -0.154 0.000 2.112 343 E HA -0.204 4.146 4.350 -0.000 0.000 0.190 343 E C 0.899 177.518 176.600 0.031 0.000 0.979 343 E CA 1.152 57.523 56.400 -0.048 0.000 0.814 343 E CB 0.154 29.836 29.700 -0.031 0.000 0.762 343 E HN 0.488 nan 8.360 nan 0.000 0.460 344 D N -0.038 120.394 120.400 0.053 0.000 2.342 344 D HA -0.006 4.634 4.640 -0.000 0.000 0.221 344 D C 1.426 177.725 176.300 -0.002 0.000 1.101 344 D CA -0.052 53.972 54.000 0.041 0.000 0.837 344 D CB 0.115 40.930 40.800 0.024 0.000 0.938 344 D HN 0.149 nan 8.370 nan 0.000 0.508 345 R N 0.864 121.375 120.500 0.018 0.000 2.097 345 R HA -0.127 4.213 4.340 -0.000 0.000 0.236 345 R C 2.168 178.511 176.300 0.072 0.000 1.135 345 R CA 1.027 57.140 56.100 0.021 0.000 0.934 345 R CB -0.269 30.041 30.300 0.016 0.000 0.846 345 R HN 0.136 nan 8.270 nan 0.000 0.431 346 L N 0.295 121.578 121.223 0.101 0.000 1.994 346 L HA -0.189 4.150 4.340 -0.000 0.000 0.208 346 L C 2.770 179.800 176.870 0.267 0.000 1.071 346 L CA 2.184 57.139 54.840 0.192 0.000 0.745 346 L CB -0.805 41.333 42.059 0.131 0.000 0.892 346 L HN 0.552 nan 8.230 nan 0.000 0.431 347 T N -1.054 113.638 114.554 0.230 0.000 2.720 347 T HA -0.235 4.115 4.350 -0.000 0.000 0.268 347 T C 1.663 176.490 174.700 0.213 0.000 1.037 347 T CA 1.601 63.875 62.100 0.290 0.000 1.144 347 T CB -0.832 68.187 68.868 0.252 0.000 0.864 347 T HN 0.430 nan 8.240 nan 0.000 0.444 348 I N -0.614 120.008 120.570 0.088 0.000 2.546 348 I HA 0.172 4.341 4.170 -0.000 0.000 0.255 348 I C 2.028 178.242 176.117 0.161 0.000 1.163 348 I CA 0.892 62.214 61.300 0.036 0.000 1.457 348 I CB -0.701 37.194 38.000 -0.176 0.000 1.092 348 I HN 0.078 nan 8.210 nan 0.000 0.434 349 L N -0.341 121.017 121.223 0.226 0.000 2.109 349 L HA -0.100 4.240 4.340 -0.000 0.000 0.207 349 L C 2.440 179.453 176.870 0.238 0.000 1.086 349 L CA 1.737 56.789 54.840 0.353 0.000 0.760 349 L CB -1.232 41.079 42.059 0.420 0.000 0.910 349 L HN 0.497 nan 8.230 nan 0.000 0.437 350 Y N -1.384 118.872 120.300 -0.072 0.000 2.206 350 Y HA -0.141 4.409 4.550 -0.000 0.000 0.292 350 Y C 2.854 178.673 175.900 -0.136 0.000 1.123 350 Y CA 1.739 59.569 58.100 -0.449 0.000 1.142 350 Y CB -0.346 37.737 38.460 -0.629 0.000 1.006 350 Y HN 0.150 nan 8.280 nan 0.000 0.518 351 S N -0.281 115.395 115.700 -0.039 0.000 2.355 351 S HA -0.144 4.326 4.470 -0.000 0.000 0.222 351 S C 1.857 176.394 174.600 -0.106 0.000 1.031 351 S CA 1.568 59.747 58.200 -0.035 0.000 0.993 351 S CB -0.285 63.011 63.200 0.161 0.000 0.859 351 S HN 0.554 nan 8.310 nan 0.000 0.453 352 E N -0.016 120.160 120.200 -0.039 0.000 2.230 352 E HA 0.099 4.449 4.350 -0.000 0.000 0.192 352 E C 1.872 178.235 176.600 -0.394 0.000 0.987 352 E CA 0.751 57.096 56.400 -0.091 0.000 0.841 352 E CB -0.375 29.420 29.700 0.158 0.000 0.783 352 E HN 0.585 nan 8.360 nan 0.000 0.481 353 G N 0.773 109.411 108.800 -0.269 0.000 2.664 353 G HA2 -0.051 3.909 3.960 -0.000 0.000 0.216 353 G HA3 -0.051 3.909 3.960 -0.000 0.000 0.216 353 G C 1.710 176.406 174.900 -0.341 0.000 1.243 353 G CA 0.439 45.291 45.100 -0.414 0.000 0.859 353 G HN 0.094 nan 8.290 nan 0.000 0.574 354 V N 1.384 121.103 119.914 -0.325 0.000 2.237 354 V HA -0.129 3.991 4.120 -0.000 0.000 0.245 354 V C 2.959 178.800 176.094 -0.421 0.000 1.046 354 V CA 1.679 63.754 62.300 -0.375 0.000 1.007 354 V CB -0.567 30.945 31.823 -0.517 0.000 0.638 354 V HN 0.143 nan 8.190 nan 0.000 0.445 355 R N 0.148 120.290 120.500 -0.596 0.000 2.159 355 R HA -0.131 4.209 4.340 -0.000 0.000 0.237 355 R C 1.989 178.122 176.300 -0.279 0.000 1.131 355 R CA 1.206 57.046 56.100 -0.434 0.000 0.982 355 R CB -0.546 29.492 30.300 -0.437 0.000 0.868 355 R HN 0.627 nan 8.270 nan 0.000 0.453 356 Q N -0.690 118.940 119.800 -0.283 0.000 2.246 356 Q HA 0.139 4.479 4.340 -0.000 0.000 0.202 356 Q C 0.291 176.154 176.000 -0.228 0.000 0.883 356 Q CA 0.293 55.954 55.803 -0.236 0.000 0.952 356 Q CB 0.683 29.262 28.738 -0.264 0.000 1.078 356 Q HN 0.483 nan 8.270 nan 0.000 0.493 357 G N 1.499 110.169 108.800 -0.216 0.000 2.198 357 G HA2 -0.335 3.625 3.960 -0.000 0.000 0.260 357 G HA3 -0.335 3.625 3.960 -0.000 0.000 0.260 357 G C 0.768 175.565 174.900 -0.172 0.000 1.025 357 G CA 0.468 45.470 45.100 -0.163 0.000 0.769 357 G HN 0.347 nan 8.290 nan 0.000 0.507 358 R N -0.512 119.831 120.500 -0.261 0.000 2.127 358 R HA 0.309 4.649 4.340 -0.000 0.000 0.217 358 R C 1.511 177.759 176.300 -0.086 0.000 1.074 358 R CA 1.529 57.471 56.100 -0.263 0.000 0.991 358 R CB 0.090 29.995 30.300 -0.658 0.000 0.895 358 R HN 0.798 nan 8.270 nan 0.000 0.450 359 I N -2.998 117.533 120.570 -0.065 0.000 3.006 359 I HA 0.345 4.515 4.170 -0.000 0.000 0.306 359 I C -0.267 175.857 176.117 0.013 0.000 1.250 359 I CA -1.250 60.072 61.300 0.038 0.000 0.996 359 I CB 2.133 40.225 38.000 0.154 0.000 1.261 359 I HN -0.175 nan 8.210 nan 0.000 0.442 360 S N 3.349 119.074 115.700 0.041 0.000 2.632 360 S HA 0.277 4.747 4.470 -0.000 0.000 0.267 360 S C 0.907 175.548 174.600 0.069 0.000 1.276 360 S CA -0.741 57.477 58.200 0.031 0.000 0.998 360 S CB 1.454 64.673 63.200 0.032 0.000 0.953 360 S HN 0.771 nan 8.310 nan 0.000 0.547 361 L N 1.758 123.007 121.223 0.043 0.000 2.042 361 L HA -0.117 4.223 4.340 -0.000 0.000 0.210 361 L C 1.864 178.813 176.870 0.132 0.000 1.076 361 L CA 2.013 56.897 54.840 0.072 0.000 0.749 361 L CB -2.147 39.882 42.059 -0.050 0.000 0.893 361 L HN 0.830 nan 8.230 nan 0.000 0.432 362 N N -1.001 117.737 118.700 0.064 0.000 2.188 362 N HA -0.191 4.549 4.740 -0.000 0.000 0.184 362 N C 1.716 177.257 175.510 0.052 0.000 1.018 362 N CA 1.069 54.146 53.050 0.045 0.000 0.858 362 N CB -0.034 38.472 38.487 0.031 0.000 0.989 362 N HN 0.473 nan 8.380 nan 0.000 0.426 363 Q N -0.212 119.637 119.800 0.081 0.000 2.172 363 Q HA -0.121 4.218 4.340 -0.000 0.000 0.200 363 Q C 1.638 177.702 176.000 0.106 0.000 0.964 363 Q CA 0.765 56.616 55.803 0.081 0.000 0.855 363 Q CB -0.159 28.638 28.738 0.098 0.000 0.918 363 Q HN 0.435 nan 8.270 nan 0.000 0.444 364 F N 1.183 121.143 119.950 0.016 0.000 2.120 364 F HA -0.239 4.288 4.527 -0.000 0.000 0.300 364 F C 1.885 177.680 175.800 -0.008 0.000 1.095 364 F CA 1.242 59.255 58.000 0.022 0.000 1.249 364 F CB -0.435 38.577 39.000 0.020 0.000 0.995 364 F HN -0.211 nan 8.300 nan 0.000 0.480 365 V N 0.364 120.060 119.914 -0.363 0.000 2.453 365 V HA -0.247 3.873 4.120 -0.000 0.000 0.247 365 V C 2.098 178.043 176.094 -0.248 0.000 1.048 365 V CA 2.156 64.190 62.300 -0.444 0.000 1.049 365 V CB -0.776 30.919 31.823 -0.214 0.000 0.672 365 V HN 0.324 nan 8.190 nan 0.000 0.457 366 D N -0.262 120.063 120.400 -0.124 0.000 2.144 366 D HA -0.142 4.498 4.640 -0.000 0.000 0.200 366 D C 1.813 178.077 176.300 -0.060 0.000 0.978 366 D CA 0.941 54.898 54.000 -0.072 0.000 0.833 366 D CB -0.037 40.744 40.800 -0.032 0.000 0.961 366 D HN 0.371 nan 8.370 nan 0.000 0.470 367 I N -0.252 120.285 120.570 -0.055 0.000 2.761 367 I HA -0.059 4.111 4.170 -0.000 0.000 0.261 367 I C 1.695 177.786 176.117 -0.043 0.000 1.198 367 I CA 0.958 62.249 61.300 -0.016 0.000 1.482 367 I CB -0.013 38.009 38.000 0.037 0.000 1.100 367 I HN 0.054 nan 8.210 nan 0.000 0.445 368 S N -2.650 112.961 115.700 -0.149 0.000 2.539 368 S HA 0.204 4.674 4.470 -0.000 0.000 0.221 368 S C 1.378 175.895 174.600 -0.137 0.000 0.987 368 S CA 0.365 58.470 58.200 -0.158 0.000 0.929 368 S CB 0.144 63.165 63.200 -0.299 0.000 0.832 368 S HN 0.386 nan 8.310 nan 0.000 0.492 369 S N 0.471 116.097 115.700 -0.123 0.000 4.193 369 S HA 0.078 4.548 4.470 -0.000 0.000 0.211 369 S C 1.523 176.110 174.600 -0.023 0.000 1.162 369 S CA 0.776 58.929 58.200 -0.078 0.000 1.039 369 S CB -0.551 62.577 63.200 -0.121 0.000 1.371 369 S HN 0.390 nan 8.310 nan 0.000 0.550 370 T N 2.430 116.964 114.554 -0.033 0.000 2.652 370 T HA -0.059 4.291 4.350 -0.000 0.000 0.267 370 T C 1.797 176.467 174.700 -0.049 0.000 1.039 370 T CA 1.910 64.005 62.100 -0.008 0.000 1.153 370 T CB -0.426 68.425 68.868 -0.028 0.000 0.863 370 T HN 0.275 nan 8.240 nan 0.000 0.428 371 K N 1.595 121.964 120.400 -0.053 0.000 2.097 371 K HA 0.162 4.482 4.320 -0.000 0.000 0.206 371 K C 2.286 178.873 176.600 -0.021 0.000 1.049 371 K CA 1.219 57.465 56.287 -0.067 0.000 0.933 371 K CB -0.826 31.654 32.500 -0.033 0.000 0.717 371 K HN 0.305 nan 8.250 nan 0.000 0.442 372 A N 0.350 123.215 122.820 0.075 0.000 1.933 372 A HA -0.046 4.273 4.320 -0.000 0.000 0.218 372 A C 2.331 180.033 177.584 0.196 0.000 1.175 372 A CA 1.919 54.087 52.037 0.219 0.000 0.628 372 A CB -0.947 18.198 19.000 0.240 0.000 0.814 372 A HN 0.362 nan 8.150 nan 0.000 0.444 373 A N -0.147 122.734 122.820 0.103 0.000 1.933 373 A HA -0.177 4.143 4.320 -0.000 0.000 0.218 373 A C 2.123 179.749 177.584 0.069 0.000 1.175 373 A CA 1.860 53.963 52.037 0.110 0.000 0.628 373 A CB -0.390 18.704 19.000 0.157 0.000 0.814 373 A HN 0.556 nan 8.150 nan 0.000 0.444 374 K N -0.603 119.762 120.400 -0.058 0.000 2.062 374 K HA 0.084 4.403 4.320 -0.000 0.000 0.205 374 K C 1.811 178.262 176.600 -0.249 0.000 1.051 374 K CA 1.118 57.286 56.287 -0.198 0.000 0.941 374 K CB -0.282 31.992 32.500 -0.377 0.000 0.719 374 K HN 0.440 nan 8.250 nan 0.000 0.440 375 L N -0.374 120.672 121.223 -0.295 0.000 2.156 375 L HA -0.071 4.269 4.340 -0.000 0.000 0.208 375 L C 1.245 177.800 176.870 -0.525 0.000 1.095 375 L CA 0.926 55.482 54.840 -0.474 0.000 0.770 375 L CB -0.030 41.639 42.059 -0.650 0.000 0.914 375 L HN 0.077 nan 8.230 nan 0.000 0.439 376 F N -0.077 119.829 119.950 -0.073 0.000 2.639 376 F HA 0.327 4.854 4.527 -0.000 0.000 0.300 376 F C 1.479 177.239 175.800 -0.065 0.000 1.109 376 F CA -0.124 57.836 58.000 -0.066 0.000 1.335 376 F CB -0.296 38.644 39.000 -0.100 0.000 1.014 376 F HN 0.057 nan 8.300 nan 0.000 0.537 377 G N 1.273 110.090 108.800 0.029 0.000 2.333 377 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.296 377 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.296 377 G C 0.472 175.376 174.900 0.006 0.000 1.059 377 G CA 0.527 45.631 45.100 0.007 0.000 1.050 377 G HN 0.459 nan 8.290 nan 0.000 0.508 378 M N -1.311 118.310 119.600 0.034 0.000 2.289 378 M HA 0.376 4.856 4.480 -0.000 0.000 0.335 378 M C 0.471 176.790 176.300 0.032 0.000 0.961 378 M CA -0.242 55.056 55.300 -0.003 0.000 1.018 378 M CB 0.837 33.426 32.600 -0.018 0.000 1.678 378 M HN 0.268 nan 8.290 nan 0.000 0.589 379 F N 3.496 123.399 119.950 -0.079 0.000 2.399 379 F HA 0.469 4.996 4.527 -0.000 0.000 0.334 379 F C -1.560 174.195 175.800 -0.075 0.000 1.097 379 F CA -1.792 56.163 58.000 -0.075 0.000 1.076 379 F CB 1.142 40.095 39.000 -0.078 0.000 1.162 379 F HN -0.093 nan 8.300 nan 0.000 0.495 380 P HA 0.129 nan 4.420 nan 0.000 0.257 380 P C 0.950 177.895 177.300 -0.592 0.000 1.281 380 P CA 0.352 62.629 63.100 -1.372 0.000 0.826 380 P CB 0.169 31.095 31.700 -1.290 0.000 1.237 381 R N 0.306 120.613 120.500 -0.322 0.000 2.096 381 R HA -0.053 4.287 4.340 -0.000 0.000 0.240 381 R C 0.669 176.862 176.300 -0.177 0.000 1.139 381 R CA 1.251 57.226 56.100 -0.209 0.000 0.952 381 R CB 0.101 30.308 30.300 -0.154 0.000 0.854 381 R HN 0.186 nan 8.270 nan 0.000 0.436 382 K N -2.208 118.108 120.400 -0.141 0.000 2.378 382 K HA 0.342 4.662 4.320 -0.000 0.000 0.244 382 K C 0.377 176.973 176.600 -0.007 0.000 1.039 382 K CA -0.082 56.157 56.287 -0.080 0.000 0.863 382 K CB 1.699 34.162 32.500 -0.062 0.000 1.326 382 K HN 0.216 nan 8.250 nan 0.000 0.460 383 G N -0.121 108.688 108.800 0.015 0.000 2.157 383 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.248 383 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.248 383 G C 0.160 175.121 174.900 0.102 0.000 0.979 383 G CA 0.825 45.974 45.100 0.082 0.000 0.650 383 G HN 0.759 nan 8.290 nan 0.000 0.529 384 T N -1.075 113.503 114.554 0.040 0.000 2.700 384 T HA 0.572 4.922 4.350 -0.000 0.000 0.307 384 T C -1.610 173.089 174.700 -0.001 0.000 1.580 384 T CA -0.322 61.807 62.100 0.049 0.000 0.992 384 T CB 1.144 70.096 68.868 0.140 0.000 1.577 384 T HN 0.667 nan 8.240 nan 0.000 0.496 385 I N 2.428 123.012 120.570 0.023 0.000 2.390 385 I HA 0.730 4.900 4.170 -0.000 0.000 0.283 385 I C -0.104 176.041 176.117 0.047 0.000 1.016 385 I CA -0.489 60.824 61.300 0.022 0.000 1.151 385 I CB 1.140 39.160 38.000 0.033 0.000 1.293 385 I HN 0.797 nan 8.210 nan 0.000 0.458 386 A N 4.794 127.619 122.820 0.008 0.000 2.608 386 A HA 0.618 4.938 4.320 -0.000 0.000 0.292 386 A C -0.963 176.607 177.584 -0.024 0.000 1.066 386 A CA -0.563 51.478 52.037 0.007 0.000 0.676 386 A CB 1.257 20.249 19.000 -0.012 0.000 1.277 386 A HN 0.225 nan 8.150 nan 0.000 0.413 387 V N 1.550 121.454 119.914 -0.016 0.000 2.617 387 V HA 0.394 4.514 4.120 -0.000 0.000 0.304 387 V C 1.644 177.705 176.094 -0.055 0.000 1.040 387 V CA 2.337 64.621 62.300 -0.027 0.000 1.149 387 V CB 0.331 32.142 31.823 -0.019 0.000 0.914 387 V HN 2.460 nan 8.190 nan 0.000 0.487 388 G N 3.924 112.688 108.800 -0.062 0.000 2.279 388 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.223 388 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.223 388 G C 0.420 175.256 174.900 -0.108 0.000 1.015 388 G CA 0.126 45.177 45.100 -0.082 0.000 0.621 388 G HN 0.751 nan 8.290 nan 0.000 0.506 389 S N 1.463 117.091 115.700 -0.120 0.000 2.617 389 S HA 0.515 4.984 4.470 -0.000 0.000 0.269 389 S C -0.084 174.451 174.600 -0.108 0.000 1.292 389 S CA -0.485 57.628 58.200 -0.144 0.000 1.010 389 S CB 1.070 64.171 63.200 -0.166 0.000 0.944 389 S HN 0.360 nan 8.310 nan 0.000 0.536 390 D N 1.467 121.800 120.400 -0.112 0.000 2.423 390 D HA 0.265 4.905 4.640 -0.000 0.000 0.238 390 D C 0.135 176.385 176.300 -0.084 0.000 1.142 390 D CA 0.140 54.083 54.000 -0.094 0.000 0.884 390 D CB 0.403 41.144 40.800 -0.098 0.000 1.199 390 D HN 0.572 nan 8.370 nan 0.000 0.438 391 A N 2.217 124.988 122.820 -0.081 0.000 3.077 391 A HA 0.094 4.414 4.320 -0.000 0.000 0.255 391 A C -0.385 177.143 177.584 -0.093 0.000 1.728 391 A CA -0.319 51.669 52.037 -0.083 0.000 1.383 391 A CB -0.445 18.502 19.000 -0.090 0.000 1.097 391 A HN 0.258 nan 8.150 nan 0.000 0.634 392 D N 0.870 121.221 120.400 -0.081 0.000 2.500 392 D HA 0.491 5.131 4.640 -0.000 0.000 0.219 392 D C -0.526 175.734 176.300 -0.065 0.000 1.137 392 D CA 0.343 54.297 54.000 -0.076 0.000 0.946 392 D CB 0.382 41.140 40.800 -0.070 0.000 1.022 392 D HN 0.285 nan 8.370 nan 0.000 0.518 393 I N 0.999 121.527 120.570 -0.070 0.000 2.603 393 I HA 0.377 4.547 4.170 -0.000 0.000 0.300 393 I C -0.356 175.747 176.117 -0.025 0.000 1.017 393 I CA -1.017 60.255 61.300 -0.048 0.000 1.098 393 I CB 2.250 40.220 38.000 -0.050 0.000 1.279 393 I HN -0.066 nan 8.210 nan 0.000 0.437 394 V N 6.105 126.024 119.914 0.008 0.000 2.487 394 V HA 0.457 4.577 4.120 -0.000 0.000 0.298 394 V C -0.228 175.926 176.094 0.100 0.000 1.028 394 V CA -0.561 61.772 62.300 0.055 0.000 0.860 394 V CB 1.809 33.670 31.823 0.065 0.000 0.991 394 V HN 0.430 nan 8.190 nan 0.000 0.427 395 I N 5.511 126.151 120.570 0.116 0.000 2.307 395 I HA 0.322 4.492 4.170 -0.000 0.000 0.287 395 I C -0.745 175.471 176.117 0.165 0.000 1.054 395 I CA -0.122 61.250 61.300 0.119 0.000 1.218 395 I CB 0.520 38.569 38.000 0.082 0.000 1.398 395 I HN 0.494 nan 8.210 nan 0.000 0.475 396 F N 6.245 126.206 119.950 0.017 0.000 2.415 396 F HA 0.317 4.844 4.527 -0.000 0.000 0.348 396 F C 0.248 175.988 175.800 -0.099 0.000 1.119 396 F CA -0.563 57.429 58.000 -0.013 0.000 1.069 396 F CB 0.895 39.911 39.000 0.027 0.000 1.124 396 F HN 0.328 nan 8.300 nan 0.000 0.472 397 D N 8.581 128.607 120.400 -0.624 0.000 2.428 397 D HA 0.218 4.858 4.640 -0.000 0.000 0.221 397 D C -1.824 173.988 176.300 -0.813 0.000 1.123 397 D CA -2.158 51.518 54.000 -0.540 0.000 0.869 397 D CB 1.669 42.275 40.800 -0.324 0.000 1.032 397 D HN 0.303 nan 8.370 nan 0.000 0.506 398 P HA -0.083 nan 4.420 nan 0.000 0.229 398 P C 0.679 177.770 177.300 -0.348 0.000 1.160 398 P CA 0.593 63.337 63.100 -0.592 0.000 0.777 398 P CB 0.334 31.708 31.700 -0.543 0.000 0.814 399 H N -0.853 118.139 119.070 -0.129 0.000 2.539 399 H HA 0.165 4.721 4.556 -0.000 0.000 0.267 399 H C 0.619 175.979 175.328 0.053 0.000 0.982 399 H CA -0.055 55.980 56.048 -0.022 0.000 1.146 399 H CB -0.041 29.682 29.762 -0.065 0.000 1.382 399 H HN 0.011 nan 8.280 nan 0.000 0.577 400 V N 2.003 121.960 119.914 0.072 0.000 2.583 400 V HA 0.091 4.211 4.120 -0.000 0.000 0.287 400 V C 0.572 176.714 176.094 0.079 0.000 1.051 400 V CA -0.394 61.934 62.300 0.046 0.000 1.010 400 V CB 1.847 33.633 31.823 -0.061 0.000 0.988 400 V HN 0.132 nan 8.190 nan 0.000 0.478 401 K N 6.158 126.555 120.400 -0.005 0.000 2.323 401 K HA 0.716 5.036 4.320 -0.000 0.000 0.259 401 K C -0.410 176.105 176.600 -0.142 0.000 0.947 401 K CA -0.754 55.408 56.287 -0.209 0.000 0.819 401 K CB 1.188 33.534 32.500 -0.256 0.000 1.109 401 K HN 0.916 nan 8.250 nan 0.000 0.429 402 R N 0.742 121.150 120.500 -0.154 0.000 2.766 402 R HA 0.460 4.800 4.340 -0.000 0.000 0.270 402 R C -1.394 174.863 176.300 -0.071 0.000 1.035 402 R CA -0.957 55.094 56.100 -0.081 0.000 0.911 402 R CB 1.376 31.653 30.300 -0.037 0.000 1.243 402 R HN 0.355 nan 8.270 nan 0.000 0.460 403 T N 1.708 116.242 114.554 -0.033 0.000 2.829 403 T HA 0.402 4.752 4.350 -0.000 0.000 0.280 403 T C -0.056 174.658 174.700 0.022 0.000 0.999 403 T CA -0.762 61.333 62.100 -0.009 0.000 0.983 403 T CB 1.103 69.967 68.868 -0.008 0.000 0.968 403 T HN 0.279 nan 8.240 nan 0.000 0.446 404 L N 2.893 124.150 121.223 0.056 0.000 2.360 404 L HA 0.566 4.906 4.340 -0.000 0.000 0.276 404 L C 0.582 177.509 176.870 0.095 0.000 1.121 404 L CA -0.089 54.811 54.840 0.101 0.000 0.845 404 L CB 0.840 42.996 42.059 0.161 0.000 1.143 404 L HN 0.595 nan 8.230 nan 0.000 0.452 405 S N 1.481 117.216 115.700 0.057 0.000 2.550 405 S HA 0.204 4.674 4.470 -0.000 0.000 0.270 405 S C 0.284 174.791 174.600 -0.154 0.000 1.145 405 S CA -0.588 57.606 58.200 -0.010 0.000 0.852 405 S CB 2.030 65.209 63.200 -0.035 0.000 1.119 405 S HN 0.374 nan 8.310 nan 0.000 0.465 406 V N 3.183 122.946 119.914 -0.251 0.000 2.594 406 V HA -0.023 4.097 4.120 -0.000 0.000 0.253 406 V C 2.061 177.800 176.094 -0.593 0.000 1.069 406 V CA 2.140 64.029 62.300 -0.686 0.000 1.082 406 V CB -0.599 31.040 31.823 -0.307 0.000 0.680 406 V HN 0.904 nan 8.190 nan 0.000 0.469 407 E N 0.536 120.565 120.200 -0.286 0.000 2.153 407 E HA -0.150 4.200 4.350 -0.000 0.000 0.194 407 E C 2.016 178.490 176.600 -0.209 0.000 0.988 407 E CA 1.961 58.244 56.400 -0.196 0.000 0.811 407 E CB -0.136 29.497 29.700 -0.113 0.000 0.746 407 E HN 0.886 nan 8.360 nan 0.000 0.466 408 T N -1.882 112.544 114.554 -0.213 0.000 3.043 408 T HA 0.030 4.380 4.350 -0.000 0.000 0.272 408 T C 0.523 175.082 174.700 -0.236 0.000 0.990 408 T CA -0.435 61.544 62.100 -0.202 0.000 0.897 408 T CB -0.127 68.679 68.868 -0.104 0.000 1.111 408 T HN 0.102 nan 8.240 nan 0.000 0.529 409 H N 0.582 119.524 119.070 -0.213 0.000 2.597 409 H HA 0.492 5.048 4.556 -0.000 0.000 0.370 409 H C 0.159 175.244 175.328 -0.405 0.000 1.281 409 H CA -0.519 55.420 56.048 -0.182 0.000 1.422 409 H CB 0.178 29.916 29.762 -0.041 0.000 1.524 409 H HN 0.197 nan 8.280 nan 0.000 0.607 410 H N -0.677 118.370 119.070 -0.038 0.000 2.755 410 H HA 0.313 4.868 4.556 -0.000 0.000 0.273 410 H C 0.092 175.303 175.328 -0.195 0.000 1.055 410 H CA -0.274 55.670 56.048 -0.173 0.000 1.191 410 H CB -0.016 29.507 29.762 -0.398 0.000 1.536 410 H HN 0.392 nan 8.280 nan 0.000 0.529 411 M N 0.755 120.158 119.600 -0.329 0.000 2.238 411 M HA 0.029 4.509 4.480 -0.000 0.000 0.347 411 M C 0.531 176.737 176.300 -0.157 0.000 1.173 411 M CA -0.114 55.005 55.300 -0.302 0.000 1.147 411 M CB 0.540 32.886 32.600 -0.425 0.000 1.547 411 M HN 0.051 nan 8.290 nan 0.000 0.455 412 N N 2.796 121.463 118.700 -0.054 0.000 3.115 412 N HA 0.204 4.943 4.740 -0.000 0.000 0.305 412 N C -1.724 173.803 175.510 0.028 0.000 1.305 412 N CA -0.043 53.014 53.050 0.013 0.000 1.154 412 N CB -0.127 38.374 38.487 0.022 0.000 1.454 412 N HN 0.401 nan 8.380 nan 0.000 0.551 413 V N 0.465 120.411 119.914 0.054 0.000 2.925 413 V HA 0.178 4.298 4.120 -0.000 0.000 0.311 413 V C 0.316 176.524 176.094 0.191 0.000 1.104 413 V CA -0.939 61.410 62.300 0.082 0.000 0.954 413 V CB 2.055 33.852 31.823 -0.044 0.000 1.022 413 V HN 0.326 nan 8.190 nan 0.000 0.427 414 D N 0.672 121.208 120.400 0.226 0.000 2.338 414 D HA 0.049 4.688 4.640 -0.000 0.000 0.239 414 D C -0.116 176.376 176.300 0.319 0.000 1.095 414 D CA 0.495 54.642 54.000 0.244 0.000 0.888 414 D CB -0.258 40.689 40.800 0.245 0.000 0.899 414 D HN 0.642 nan 8.370 nan 0.000 0.525 415 Y N -2.815 117.571 120.300 0.144 0.000 2.677 415 Y HA 0.504 5.054 4.550 -0.000 0.000 0.334 415 Y C -2.044 173.959 175.900 0.171 0.000 1.196 415 Y CA -1.649 56.497 58.100 0.077 0.000 1.059 415 Y CB 0.627 39.069 38.460 -0.032 0.000 1.315 415 Y HN -0.156 nan 8.280 nan 0.000 0.455 416 N N 3.158 121.904 118.700 0.076 0.000 2.399 416 N HA 0.375 5.115 4.740 -0.000 0.000 0.284 416 N C -2.367 173.201 175.510 0.096 0.000 1.025 416 N CA -2.488 50.599 53.050 0.061 0.000 0.885 416 N CB 2.851 41.488 38.487 0.251 0.000 1.339 416 N HN 0.608 nan 8.380 nan 0.000 0.487 417 P HA -0.014 nan 4.420 nan 0.000 0.228 417 P C 0.259 177.448 177.300 -0.184 0.000 1.151 417 P CA 0.836 63.930 63.100 -0.010 0.000 0.770 417 P CB -0.016 31.622 31.700 -0.103 0.000 0.786 418 F N -0.607 119.476 119.950 0.221 0.000 2.639 418 F HA 0.285 4.812 4.527 -0.000 0.000 0.302 418 F C 0.943 176.818 175.800 0.126 0.000 1.097 418 F CA -1.215 56.882 58.000 0.161 0.000 1.294 418 F CB -0.708 38.365 39.000 0.122 0.000 1.027 418 F HN -0.180 nan 8.300 nan 0.000 0.550 419 E N 1.089 121.425 120.200 0.226 0.000 2.966 419 E HA 0.188 4.538 4.350 -0.000 0.000 0.254 419 E C 1.406 178.083 176.600 0.128 0.000 0.923 419 E CA 1.155 57.646 56.400 0.151 0.000 0.960 419 E CB -0.195 29.573 29.700 0.112 0.000 0.901 419 E HN 0.564 nan 8.360 nan 0.000 0.525 420 G N 3.614 112.473 108.800 0.097 0.000 2.176 420 G HA2 -0.357 3.603 3.960 -0.000 0.000 0.253 420 G HA3 -0.357 3.603 3.960 -0.000 0.000 0.253 420 G C 0.398 175.343 174.900 0.074 0.000 0.979 420 G CA 0.246 45.388 45.100 0.069 0.000 0.641 420 G HN 0.612 nan 8.290 nan 0.000 0.530 421 M N 1.581 121.249 119.600 0.113 0.000 2.188 421 M HA 0.465 4.945 4.480 -0.000 0.000 0.354 421 M C 0.306 176.630 176.300 0.040 0.000 1.342 421 M CA -0.042 55.316 55.300 0.096 0.000 1.117 421 M CB 0.306 32.999 32.600 0.155 0.000 1.670 421 M HN 0.244 nan 8.290 nan 0.000 0.466 422 E N 3.242 123.445 120.200 0.005 0.000 2.316 422 E HA 0.396 4.745 4.350 -0.000 0.000 0.275 422 E C -1.201 175.353 176.600 -0.077 0.000 1.029 422 E CA -0.357 56.008 56.400 -0.059 0.000 0.871 422 E CB 1.372 31.025 29.700 -0.079 0.000 1.022 422 E HN 0.503 nan 8.360 nan 0.000 0.418 423 V N 3.239 123.077 119.914 -0.127 0.000 3.159 423 V HA 0.334 4.453 4.120 -0.000 0.000 0.308 423 V C -1.428 174.561 176.094 -0.174 0.000 1.190 423 V CA -0.880 61.375 62.300 -0.075 0.000 1.037 423 V CB 1.638 33.471 31.823 0.017 0.000 1.060 423 V HN 0.554 nan 8.190 nan 0.000 0.437 424 Y N 0.894 121.261 120.300 0.111 0.000 2.377 424 Y HA 0.772 5.322 4.550 -0.000 0.000 0.339 424 Y C 0.590 176.634 175.900 0.239 0.000 1.011 424 Y CA 0.344 58.533 58.100 0.148 0.000 1.093 424 Y CB 2.048 40.610 38.460 0.170 0.000 1.201 424 Y HN 0.998 nan 8.280 nan 0.000 0.455 425 G N 2.650 111.557 108.800 0.178 0.000 2.906 425 G HA2 0.113 4.073 3.960 -0.000 0.000 0.686 425 G HA3 0.113 4.073 3.960 -0.000 0.000 0.686 425 G C -1.443 173.261 174.900 -0.327 0.000 1.170 425 G CA -0.912 44.036 45.100 -0.253 0.000 0.775 425 G HN 0.680 nan 8.290 nan 0.000 0.630 426 E N 0.370 120.131 120.200 -0.733 0.000 2.321 426 E HA 0.539 4.889 4.350 -0.000 0.000 0.278 426 E C -0.371 176.052 176.600 -0.295 0.000 0.902 426 E CA -0.925 55.292 56.400 -0.305 0.000 0.758 426 E CB 2.299 31.892 29.700 -0.178 0.000 1.213 426 E HN 0.621 nan 8.360 nan 0.000 0.426 427 V N 4.700 124.639 119.914 0.043 0.000 2.488 427 V HA 0.072 4.192 4.120 -0.000 0.000 0.277 427 V C 0.963 177.103 176.094 0.077 0.000 1.046 427 V CA -0.058 62.335 62.300 0.154 0.000 0.986 427 V CB 1.031 32.982 31.823 0.214 0.000 0.989 427 V HN 0.669 nan 8.190 nan 0.000 0.475 428 V N 3.427 123.375 119.914 0.056 0.000 2.484 428 V HA 0.128 4.248 4.120 -0.000 0.000 0.236 428 V C 0.853 176.986 176.094 0.064 0.000 1.062 428 V CA 0.912 63.236 62.300 0.041 0.000 1.081 428 V CB 0.390 32.218 31.823 0.008 0.000 0.751 428 V HN 0.786 nan 8.190 nan 0.000 0.484 429 S N -0.807 114.947 115.700 0.090 0.000 2.568 429 S HA 0.749 5.219 4.470 -0.000 0.000 0.293 429 S C -1.002 173.671 174.600 0.122 0.000 1.089 429 S CA -0.372 57.912 58.200 0.139 0.000 0.945 429 S CB 2.572 65.923 63.200 0.252 0.000 1.077 429 S HN 0.060 nan 8.310 nan 0.000 0.485 430 V N 3.044 123.030 119.914 0.119 0.000 2.623 430 V HA 0.485 4.605 4.120 -0.000 0.000 0.304 430 V C -0.999 175.089 176.094 -0.009 0.000 1.054 430 V CA -0.539 61.782 62.300 0.034 0.000 0.882 430 V CB 1.538 33.352 31.823 -0.016 0.000 1.002 430 V HN 0.718 nan 8.190 nan 0.000 0.424 431 L N 3.202 124.365 121.223 -0.100 0.000 2.329 431 L HA 0.676 5.016 4.340 -0.000 0.000 0.279 431 L C 0.050 176.845 176.870 -0.125 0.000 1.014 431 L CA -0.280 54.438 54.840 -0.203 0.000 0.814 431 L CB 2.088 43.958 42.059 -0.315 0.000 1.257 431 L HN 0.660 nan 8.230 nan 0.000 0.424 432 S N 3.580 119.213 115.700 -0.112 0.000 2.640 432 S HA 0.408 4.878 4.470 -0.000 0.000 0.320 432 S C 0.078 174.629 174.600 -0.083 0.000 1.097 432 S CA -0.533 57.621 58.200 -0.076 0.000 1.092 432 S CB 0.288 63.464 63.200 -0.040 0.000 0.988 432 S HN 0.675 nan 8.310 nan 0.000 0.470 433 R N 3.136 123.585 120.500 -0.085 0.000 3.333 433 R HA -0.216 4.124 4.340 -0.000 0.000 0.256 433 R C 1.112 177.357 176.300 -0.093 0.000 1.010 433 R CA 0.795 56.846 56.100 -0.082 0.000 0.680 433 R CB -1.934 28.326 30.300 -0.067 0.000 1.102 433 R HN 1.441 nan 8.270 nan 0.000 0.440 434 G N -1.464 107.261 108.800 -0.124 0.000 2.184 434 G HA2 -0.350 3.609 3.960 -0.000 0.000 0.264 434 G HA3 -0.350 3.609 3.960 -0.000 0.000 0.264 434 G C 0.018 174.800 174.900 -0.196 0.000 0.975 434 G CA 0.438 45.448 45.100 -0.150 0.000 0.642 434 G HN 0.455 nan 8.290 nan 0.000 0.536 435 S N 0.064 115.660 115.700 -0.174 0.000 2.472 435 S HA 0.717 5.186 4.470 -0.000 0.000 0.303 435 S C -0.254 174.242 174.600 -0.175 0.000 1.099 435 S CA -0.638 57.473 58.200 -0.147 0.000 1.077 435 S CB 1.080 64.247 63.200 -0.056 0.000 1.031 435 S HN 0.285 nan 8.310 nan 0.000 0.487 436 F N 1.997 121.911 119.950 -0.060 0.000 2.538 436 F HA 0.124 4.651 4.527 -0.000 0.000 0.371 436 F C 1.337 177.063 175.800 -0.123 0.000 1.087 436 F CA 0.092 58.042 58.000 -0.082 0.000 1.250 436 F CB 0.459 39.410 39.000 -0.082 0.000 1.110 436 F HN 0.336 nan 8.300 nan 0.000 0.570 437 V N 2.819 122.770 119.914 0.062 0.000 3.013 437 V HA 0.127 4.247 4.120 -0.000 0.000 0.238 437 V C 0.014 176.038 176.094 -0.117 0.000 1.161 437 V CA 0.348 62.615 62.300 -0.056 0.000 1.170 437 V CB 0.621 32.435 31.823 -0.015 0.000 0.917 437 V HN 0.402 nan 8.190 nan 0.000 0.478 438 V N 1.468 121.346 119.914 -0.059 0.000 2.525 438 V HA 0.537 4.657 4.120 -0.000 0.000 0.299 438 V C -0.517 175.577 176.094 -0.000 0.000 1.034 438 V CA -0.606 61.608 62.300 -0.144 0.000 0.863 438 V CB 1.938 33.553 31.823 -0.346 0.000 0.999 438 V HN 0.407 nan 8.190 nan 0.000 0.423 439 R N 3.486 123.943 120.500 -0.072 0.000 2.476 439 R HA 0.411 4.751 4.340 -0.000 0.000 0.305 439 R C -0.666 175.575 176.300 -0.099 0.000 0.965 439 R CA -0.394 55.604 56.100 -0.170 0.000 0.867 439 R CB 0.997 30.985 30.300 -0.521 0.000 1.176 439 R HN 0.802 nan 8.270 nan 0.000 0.447 440 D N 4.628 124.994 120.400 -0.057 0.000 2.697 440 D HA -0.198 4.442 4.640 -0.000 0.000 0.235 440 D C -0.515 175.814 176.300 0.048 0.000 1.167 440 D CA 1.597 55.587 54.000 -0.015 0.000 0.656 440 D CB -0.371 40.400 40.800 -0.048 0.000 1.025 440 D HN 0.875 nan 8.370 nan 0.000 0.419 441 K N -2.304 118.156 120.400 0.099 0.000 3.349 441 K HA -0.247 4.073 4.320 -0.000 0.000 0.310 441 K C 0.151 176.954 176.600 0.338 0.000 1.267 441 K CA 1.129 57.550 56.287 0.223 0.000 0.920 441 K CB -0.659 31.943 32.500 0.170 0.000 1.240 441 K HN 0.386 nan 8.250 nan 0.000 0.453 442 Q N 0.109 120.037 119.800 0.214 0.000 2.312 442 Q HA 0.309 4.649 4.340 -0.000 0.000 0.263 442 Q C -0.703 175.416 176.000 0.198 0.000 0.995 442 Q CA -0.655 55.294 55.803 0.243 0.000 0.853 442 Q CB 1.265 30.070 28.738 0.111 0.000 1.300 442 Q HN 0.120 nan 8.270 nan 0.000 0.448 443 F N 3.231 123.277 119.950 0.159 0.000 2.445 443 F HA 0.170 4.697 4.527 -0.000 0.000 0.359 443 F C 0.589 176.402 175.800 0.023 0.000 1.101 443 F CA -0.347 57.650 58.000 -0.004 0.000 1.177 443 F CB 0.493 39.594 39.000 0.169 0.000 1.110 443 F HN 0.270 nan 8.300 nan 0.000 0.522 444 V N 3.995 123.563 119.914 -0.577 0.000 3.166 444 V HA 0.531 4.650 4.120 -0.000 0.000 0.332 444 V C 0.847 176.573 176.094 -0.613 0.000 1.434 444 V CA 0.318 62.329 62.300 -0.481 0.000 1.121 444 V CB -0.458 31.234 31.823 -0.218 0.000 1.062 444 V HN 0.831 nan 8.190 nan 0.000 0.489 445 G N 0.444 108.540 108.800 -1.174 0.000 2.494 445 G HA2 0.523 4.482 3.960 -0.000 0.000 0.270 445 G HA3 0.523 4.482 3.960 -0.000 0.000 0.270 445 G C -0.709 173.947 174.900 -0.407 0.000 1.423 445 G CA -0.310 44.415 45.100 -0.625 0.000 1.055 445 G HN 0.599 nan 8.290 nan 0.000 0.536 446 Q N -1.646 118.153 119.800 -0.001 0.000 2.320 446 Q HA 0.519 4.859 4.340 -0.000 0.000 0.272 446 Q C -0.585 175.596 176.000 0.302 0.000 1.023 446 Q CA -0.926 54.972 55.803 0.158 0.000 0.855 446 Q CB 1.843 30.620 28.738 0.065 0.000 1.367 446 Q HN 0.873 nan 8.270 nan 0.000 0.406 447 A N 1.522 124.576 122.820 0.391 0.000 2.540 447 A HA 0.460 4.780 4.320 -0.000 0.000 0.239 447 A C 1.183 178.895 177.584 0.213 0.000 1.061 447 A CA 1.234 53.498 52.037 0.379 0.000 0.758 447 A CB -0.584 18.482 19.000 0.110 0.000 0.991 447 A HN 1.603 nan 8.150 nan 0.000 0.502 448 G N 1.473 110.405 108.800 0.219 0.000 2.176 448 G HA2 -0.274 3.685 3.960 -0.000 0.000 0.253 448 G HA3 -0.274 3.685 3.960 -0.000 0.000 0.253 448 G C 1.191 176.181 174.900 0.150 0.000 0.979 448 G CA 0.834 46.030 45.100 0.160 0.000 0.641 448 G HN 1.080 nan 8.290 nan 0.000 0.530 449 S N 0.309 116.101 115.700 0.154 0.000 2.406 449 S HA 0.261 4.731 4.470 -0.000 0.000 0.228 449 S C 1.800 176.471 174.600 0.118 0.000 1.020 449 S CA 0.803 59.071 58.200 0.112 0.000 0.965 449 S CB -0.137 63.119 63.200 0.093 0.000 0.798 449 S HN 1.398 nan 8.310 nan 0.000 0.488 450 G N 1.066 109.971 108.800 0.175 0.000 2.544 450 G HA2 0.384 4.344 3.960 -0.000 0.000 0.242 450 G HA3 0.384 4.344 3.960 -0.000 0.000 0.242 450 G C -0.486 174.537 174.900 0.205 0.000 1.247 450 G CA -0.303 44.916 45.100 0.199 0.000 0.840 450 G HN 0.311 nan 8.290 nan 0.000 0.578 451 Q N -0.677 119.140 119.800 0.029 0.000 2.433 451 Q HA 0.261 4.601 4.340 -0.000 0.000 0.279 451 Q C -1.409 174.252 176.000 -0.564 0.000 1.105 451 Q CA -0.929 54.797 55.803 -0.128 0.000 0.815 451 Q CB 2.734 31.421 28.738 -0.086 0.000 1.403 451 Q HN 0.632 nan 8.270 nan 0.000 0.435 452 Y N 2.836 122.685 120.300 -0.752 0.000 2.425 452 Y HA 0.247 4.797 4.550 -0.000 0.000 0.331 452 Y C -0.357 175.256 175.900 -0.477 0.000 1.157 452 Y CA -0.380 57.173 58.100 -0.910 0.000 1.372 452 Y CB 0.461 38.658 38.460 -0.438 0.000 1.253 452 Y HN 0.409 nan 8.280 nan 0.000 0.536 453 I N 4.596 124.481 120.570 -1.141 0.000 2.330 453 I HA 0.458 4.628 4.170 -0.000 0.000 0.289 453 I C -0.796 174.760 176.117 -0.935 0.000 1.001 453 I CA -1.072 59.753 61.300 -0.793 0.000 1.193 453 I CB 1.319 39.014 38.000 -0.509 0.000 1.345 453 I HN 0.494 nan 8.210 nan 0.000 0.461 454 K N 5.958 126.032 120.400 -0.543 0.000 2.368 454 K HA 0.374 4.694 4.320 -0.000 0.000 0.282 454 K C -0.384 176.083 176.600 -0.222 0.000 1.035 454 K CA -0.392 55.713 56.287 -0.303 0.000 0.973 454 K CB 1.057 33.505 32.500 -0.087 0.000 0.957 454 K HN 0.561 nan 8.250 nan 0.000 0.474 455 R N 0.681 121.090 120.500 -0.151 0.000 2.604 455 R HA 0.196 4.536 4.340 -0.000 0.000 0.287 455 R C -0.058 176.225 176.300 -0.029 0.000 0.970 455 R CA -0.377 55.670 56.100 -0.088 0.000 0.946 455 R CB 1.493 31.756 30.300 -0.063 0.000 1.127 455 R HN 0.696 nan 8.270 nan 0.000 0.473 456 T N -1.466 113.075 114.554 -0.021 0.000 2.874 456 T HA 0.273 4.623 4.350 -0.000 0.000 0.281 456 T C 0.463 175.171 174.700 0.013 0.000 0.994 456 T CA -0.870 61.224 62.100 -0.008 0.000 1.015 456 T CB 1.055 69.910 68.868 -0.021 0.000 1.028 456 T HN 0.643 nan 8.240 nan 0.000 0.523 457 T N -0.030 114.536 114.554 0.020 0.000 2.855 457 T HA 0.263 4.613 4.350 -0.000 0.000 0.314 457 T C -0.003 174.727 174.700 0.050 0.000 1.077 457 T CA -0.835 61.296 62.100 0.053 0.000 1.095 457 T CB -0.165 68.734 68.868 0.052 0.000 0.987 457 T HN 0.549 nan 8.240 nan 0.000 0.546 458 F N 1.302 121.234 119.950 -0.029 0.000 2.623 458 F HA 0.251 4.778 4.527 -0.000 0.000 0.383 458 F C 0.623 176.398 175.800 -0.042 0.000 1.077 458 F CA 0.163 58.132 58.000 -0.051 0.000 1.268 458 F CB 0.042 39.017 39.000 -0.042 0.000 1.053 458 F HN 0.749 nan 8.300 nan 0.000 0.571 459 E N 5.032 124.521 120.200 -1.185 0.000 2.275 459 E HA 0.137 4.487 4.350 -0.000 0.000 0.270 459 E C -0.937 174.949 176.600 -1.190 0.000 0.882 459 E CA -0.841 55.040 56.400 -0.865 0.000 0.758 459 E CB 1.651 31.103 29.700 -0.414 0.000 1.195 459 E HN 0.792 nan 8.360 nan 0.000 0.419 460 Q N 0.000 119.389 119.800 -0.685 0.000 2.315 460 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 460 Q CA 0.000 55.625 55.803 -0.297 0.000 1.022 460 Q CB 0.000 28.736 28.738 -0.004 0.000 1.108 460 Q HN 0.000 nan 8.270 nan 0.000 0.481