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_B DATA FIRST_RESID 2 DATA SEQUENCE KKWIRGGTVV TAADTYQADV LIEGERVVAI GHQLSVNGAE 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 0.000 176.635 176.600 0.058 0.000 0.988 2 K CA 0.000 56.301 56.287 0.023 0.000 0.838 2 K CB 0.000 32.507 32.500 0.012 0.000 1.064 3 K N 2.206 122.647 120.400 0.067 0.000 2.259 3 K HA 0.452 4.772 4.320 -0.000 0.000 0.249 3 K C -1.446 175.279 176.600 0.207 0.000 0.942 3 K CA -0.908 55.447 56.287 0.114 0.000 0.816 3 K CB 1.598 34.117 32.500 0.033 0.000 1.155 3 K HN 0.383 nan 8.250 nan 0.000 0.428 4 W N 5.301 126.609 121.300 0.014 0.000 2.463 4 W HA 0.408 5.068 4.660 -0.000 0.000 0.316 4 W C -1.462 175.075 176.519 0.030 0.000 1.004 4 W CA -0.896 56.461 57.345 0.018 0.000 1.309 4 W CB 0.416 29.890 29.460 0.024 0.000 1.288 4 W HN 0.423 nan 8.180 nan 0.000 0.423 5 I N 8.214 128.758 120.570 -0.042 0.000 2.337 5 I HA 0.339 4.509 4.170 -0.000 0.000 0.291 5 I C 0.574 176.475 176.117 -0.360 0.000 1.046 5 I CA -0.495 60.700 61.300 -0.175 0.000 1.324 5 I CB 0.400 38.366 38.000 -0.056 0.000 1.409 5 I HN 0.391 nan 8.210 nan 0.000 0.494 6 R N 4.190 124.393 120.500 -0.495 0.000 2.803 6 R HA 0.764 5.104 4.340 -0.000 0.000 0.276 6 R C 0.517 176.675 176.300 -0.237 0.000 0.978 6 R CA -0.235 55.578 56.100 -0.479 0.000 0.939 6 R CB 1.702 31.447 30.300 -0.925 0.000 1.179 6 R HN 0.707 nan 8.270 nan 0.000 0.472 7 G N 0.562 109.287 108.800 -0.126 0.000 2.234 7 G HA2 -0.262 3.697 3.960 -0.000 0.000 0.260 7 G HA3 -0.262 3.697 3.960 -0.000 0.000 0.260 7 G C 0.361 175.245 174.900 -0.027 0.000 0.987 7 G CA -0.008 45.056 45.100 -0.060 0.000 0.625 7 G HN 1.001 nan 8.290 nan 0.000 0.532 8 G N -0.736 108.045 108.800 -0.031 0.000 2.537 8 G HA2 0.539 4.499 3.960 -0.000 0.000 0.273 8 G HA3 0.539 4.499 3.960 -0.000 0.000 0.273 8 G C -0.149 174.758 174.900 0.011 0.000 1.189 8 G CA 0.599 45.693 45.100 -0.010 0.000 0.881 8 G HN 0.548 nan 8.290 nan 0.000 0.535 9 T N 0.880 115.457 114.554 0.038 0.000 2.753 9 T HA 0.358 4.708 4.350 -0.000 0.000 0.297 9 T C 0.278 174.965 174.700 -0.023 0.000 0.981 9 T CA -0.231 61.897 62.100 0.047 0.000 0.956 9 T CB 1.159 70.138 68.868 0.185 0.000 0.936 9 T HN 0.278 nan 8.240 nan 0.000 0.463 10 V N 4.508 124.250 119.914 -0.287 0.000 2.614 10 V HA 0.462 4.582 4.120 -0.000 0.000 0.291 10 V C 0.200 176.036 176.094 -0.431 0.000 1.049 10 V CA -0.328 61.712 62.300 -0.433 0.000 1.038 10 V CB 1.414 32.749 31.823 -0.813 0.000 0.980 10 V HN 0.645 nan 8.190 nan 0.000 0.481 11 V N 5.404 125.175 119.914 -0.238 0.000 2.612 11 V HA 0.794 4.914 4.120 -0.000 0.000 0.301 11 V C -0.123 175.908 176.094 -0.104 0.000 1.059 11 V CA 0.387 62.580 62.300 -0.178 0.000 0.886 11 V CB 2.182 33.866 31.823 -0.233 0.000 1.007 11 V HN 1.089 nan 8.190 nan 0.000 0.426 12 T N 3.460 117.985 114.554 -0.048 0.000 2.762 12 T HA 0.751 5.101 4.350 -0.000 0.000 0.272 12 T C 1.307 175.997 174.700 -0.016 0.000 0.982 12 T CA -0.044 62.046 62.100 -0.016 0.000 1.013 12 T CB 1.543 70.438 68.868 0.045 0.000 1.309 12 T HN 1.385 nan 8.240 nan 0.000 0.572 13 A N -0.166 122.646 122.820 -0.014 0.000 2.019 13 A HA 0.340 4.659 4.320 -0.000 0.000 0.219 13 A C 2.223 179.805 177.584 -0.003 0.000 1.164 13 A CA 1.838 53.860 52.037 -0.025 0.000 0.644 13 A CB -1.308 17.664 19.000 -0.047 0.000 0.805 13 A HN 1.216 nan 8.150 nan 0.000 0.449 14 A N -1.669 121.163 122.820 0.020 0.000 2.074 14 A HA 0.300 4.620 4.320 -0.000 0.000 0.200 14 A C 0.451 178.070 177.584 0.058 0.000 1.335 14 A CA 0.199 52.255 52.037 0.032 0.000 0.922 14 A CB 0.394 19.413 19.000 0.032 0.000 0.972 14 A HN 0.375 nan 8.150 nan 0.000 0.475 15 D N -0.313 120.143 120.400 0.093 0.000 2.326 15 D HA 0.577 5.217 4.640 -0.000 0.000 0.248 15 D C -1.039 175.325 176.300 0.107 0.000 1.001 15 D CA 0.290 54.386 54.000 0.160 0.000 0.961 15 D CB 1.687 42.684 40.800 0.328 0.000 1.183 15 D HN -0.014 nan 8.370 nan 0.000 0.502 16 T N 1.062 115.709 114.554 0.155 0.000 3.335 16 T HA 0.418 4.768 4.350 -0.000 0.000 0.321 16 T C -1.237 173.551 174.700 0.147 0.000 0.960 16 T CA -0.731 61.387 62.100 0.030 0.000 1.034 16 T CB 0.300 69.183 68.868 0.026 0.000 1.040 16 T HN 0.382 nan 8.240 nan 0.000 0.454 17 Y N -0.141 120.194 120.300 0.058 0.000 2.656 17 Y HA 0.679 5.229 4.550 -0.000 0.000 0.334 17 Y C -1.101 174.851 175.900 0.086 0.000 1.179 17 Y CA -1.398 56.744 58.100 0.069 0.000 1.050 17 Y CB 1.266 39.756 38.460 0.050 0.000 1.308 17 Y HN 0.221 nan 8.280 nan 0.000 0.456 18 Q N 1.658 121.616 119.800 0.263 0.000 2.368 18 Q HA 0.773 5.113 4.340 -0.000 0.000 0.256 18 Q C -1.016 175.186 176.000 0.336 0.000 0.980 18 Q CA -0.364 55.566 55.803 0.211 0.000 0.887 18 Q CB 1.589 30.441 28.738 0.190 0.000 1.221 18 Q HN 0.943 nan 8.270 nan 0.000 0.458 19 A N 3.183 126.149 122.820 0.243 0.000 2.586 19 A HA 0.510 4.830 4.320 -0.000 0.000 0.290 19 A C -1.472 176.192 177.584 0.134 0.000 1.086 19 A CA -0.850 51.291 52.037 0.173 0.000 0.665 19 A CB 1.246 20.300 19.000 0.090 0.000 1.279 19 A HN 0.535 nan 8.150 nan 0.000 0.423 20 D N 0.106 120.589 120.400 0.139 0.000 2.283 20 D HA 0.526 5.166 4.640 -0.000 0.000 0.248 20 D C -0.596 175.810 176.300 0.176 0.000 1.072 20 D CA 0.086 54.185 54.000 0.165 0.000 0.929 20 D CB 1.757 42.790 40.800 0.388 0.000 1.182 20 D HN 0.254 nan 8.370 nan 0.000 0.433 21 V N 2.099 122.112 119.914 0.165 0.000 2.487 21 V HA 0.255 4.375 4.120 -0.000 0.000 0.298 21 V C -0.502 175.722 176.094 0.216 0.000 1.028 21 V CA -0.885 61.505 62.300 0.149 0.000 0.860 21 V CB 1.768 33.637 31.823 0.077 0.000 0.991 21 V HN 0.287 nan 8.190 nan 0.000 0.427 22 L N 6.954 128.279 121.223 0.171 0.000 2.282 22 L HA 0.672 5.012 4.340 -0.000 0.000 0.288 22 L C -0.572 176.339 176.870 0.069 0.000 1.033 22 L CA 0.134 55.063 54.840 0.150 0.000 0.807 22 L CB 1.071 43.175 42.059 0.075 0.000 1.209 22 L HN 0.541 nan 8.230 nan 0.000 0.423 23 I N 4.736 125.343 120.570 0.061 0.000 2.406 23 I HA 0.353 4.523 4.170 -0.000 0.000 0.290 23 I C 0.480 176.600 176.117 0.006 0.000 0.999 23 I CA -0.289 61.019 61.300 0.013 0.000 1.124 23 I CB 2.084 40.076 38.000 -0.013 0.000 1.289 23 I HN 0.752 nan 8.210 nan 0.000 0.441 24 E N 3.816 124.010 120.200 -0.010 0.000 2.110 24 E HA 0.177 4.527 4.350 -0.000 0.000 0.194 24 E C 1.338 177.927 176.600 -0.018 0.000 0.944 24 E CA 0.623 57.016 56.400 -0.013 0.000 0.899 24 E CB 0.300 29.988 29.700 -0.019 0.000 0.907 24 E HN 0.803 nan 8.360 nan 0.000 0.473 25 G N 0.007 108.791 108.800 -0.026 0.000 2.754 25 G HA2 0.048 4.008 3.960 -0.000 0.000 0.210 25 G HA3 0.048 4.008 3.960 -0.000 0.000 0.210 25 G C 0.715 175.592 174.900 -0.038 0.000 2.092 25 G CA 0.025 45.108 45.100 -0.029 0.000 0.766 25 G HN 0.169 nan 8.290 nan 0.000 0.745 26 E N 0.099 120.273 120.200 -0.044 0.000 2.481 26 E HA 0.190 4.540 4.350 -0.000 0.000 0.198 26 E C 0.315 176.879 176.600 -0.060 0.000 1.027 26 E CA -0.042 56.326 56.400 -0.054 0.000 0.900 26 E CB 0.627 30.296 29.700 -0.052 0.000 0.993 26 E HN 0.194 nan 8.360 nan 0.000 0.482 27 R N 0.359 120.826 120.500 -0.054 0.000 2.892 27 R HA 0.477 4.817 4.340 -0.000 0.000 0.265 27 R C -0.632 175.642 176.300 -0.045 0.000 1.025 27 R CA -0.884 55.182 56.100 -0.056 0.000 0.982 27 R CB 2.041 32.307 30.300 -0.058 0.000 1.185 27 R HN -0.154 nan 8.270 nan 0.000 0.484 28 V N 2.265 122.153 119.914 -0.044 0.000 2.488 28 V HA 0.038 4.158 4.120 -0.000 0.000 0.277 28 V C 1.052 177.131 176.094 -0.025 0.000 1.046 28 V CA 0.134 62.418 62.300 -0.026 0.000 0.986 28 V CB 1.417 33.227 31.823 -0.021 0.000 0.989 28 V HN 0.782 nan 8.190 nan 0.000 0.475 29 V N 1.898 121.804 119.914 -0.014 0.000 3.612 29 V HA 0.794 4.914 4.120 -0.000 0.000 0.268 29 V C 0.446 176.531 176.094 -0.014 0.000 1.365 29 V CA 0.619 62.908 62.300 -0.019 0.000 1.044 29 V CB 0.295 32.105 31.823 -0.022 0.000 0.820 29 V HN 0.929 nan 8.190 nan 0.000 0.444 30 A N 0.272 123.093 122.820 0.002 0.000 2.589 30 A HA 0.867 5.187 4.320 -0.000 0.000 0.296 30 A C -1.344 176.258 177.584 0.030 0.000 1.062 30 A CA -0.488 51.552 52.037 0.004 0.000 0.686 30 A CB 1.615 20.612 19.000 -0.006 0.000 1.282 30 A HN 0.356 nan 8.150 nan 0.000 0.404 31 I N 1.193 121.772 120.570 0.016 0.000 2.607 31 I HA 0.742 4.912 4.170 -0.000 0.000 0.290 31 I C 0.520 176.618 176.117 -0.033 0.000 1.129 31 I CA -0.084 61.234 61.300 0.030 0.000 1.042 31 I CB 2.353 40.380 38.000 0.044 0.000 1.242 31 I HN 1.246 nan 8.210 nan 0.000 0.421 32 G N 3.640 112.404 108.800 -0.059 0.000 2.455 32 G HA2 0.148 4.108 3.960 -0.000 0.000 0.223 32 G HA3 0.148 4.108 3.960 -0.000 0.000 0.223 32 G C -0.494 174.246 174.900 -0.267 0.000 1.226 32 G CA -0.337 44.644 45.100 -0.199 0.000 0.948 32 G HN 0.508 nan 8.290 nan 0.000 0.478 33 H N -0.299 118.828 119.070 0.095 0.000 2.143 33 H HA 0.270 4.826 4.556 -0.000 0.000 0.238 33 H C 0.801 176.187 175.328 0.096 0.000 0.914 33 H CA 0.321 56.438 56.048 0.114 0.000 1.154 33 H CB -0.190 29.624 29.762 0.087 0.000 1.359 33 H HN 0.256 nan 8.280 nan 0.000 0.493 34 Q N 4.146 124.057 119.800 0.186 0.000 2.477 34 Q HA -0.020 4.320 4.340 -0.000 0.000 0.276 34 Q C -0.024 175.999 176.000 0.038 0.000 1.317 34 Q CA 0.059 55.916 55.803 0.091 0.000 0.963 34 Q CB -0.534 28.236 28.738 0.053 0.000 1.451 34 Q HN 0.303 nan 8.270 nan 0.000 0.492 35 L N 0.732 121.972 121.223 0.029 0.000 2.780 35 L HA -0.036 4.304 4.340 -0.000 0.000 0.275 35 L C 0.773 177.532 176.870 -0.186 0.000 1.153 35 L CA 0.695 55.463 54.840 -0.119 0.000 0.993 35 L CB -1.252 40.661 42.059 -0.242 0.000 1.319 35 L HN 0.313 nan 8.230 nan 0.000 0.479 36 S N 1.846 117.441 115.700 -0.174 0.000 2.582 36 S HA 0.218 4.688 4.470 -0.000 0.000 0.249 36 S C 0.258 174.732 174.600 -0.209 0.000 1.072 36 S CA -0.504 57.607 58.200 -0.149 0.000 1.115 36 S CB 0.123 63.268 63.200 -0.091 0.000 0.790 36 S HN 0.567 nan 8.310 nan 0.000 0.459 37 V N 2.113 121.815 119.914 -0.353 0.000 2.318 37 V HA 0.370 4.490 4.120 -0.000 0.000 0.271 37 V C 0.680 176.596 176.094 -0.297 0.000 1.030 37 V CA -0.643 61.418 62.300 -0.398 0.000 0.844 37 V CB 0.481 31.832 31.823 -0.787 0.000 1.015 37 V HN 0.689 nan 8.190 nan 0.000 0.460 38 N N 4.484 123.078 118.700 -0.177 0.000 2.187 38 N HA 0.172 4.912 4.740 -0.000 0.000 0.191 38 N C 0.827 176.277 175.510 -0.100 0.000 1.057 38 N CA 0.593 53.571 53.050 -0.120 0.000 0.913 38 N CB 0.032 38.472 38.487 -0.079 0.000 1.089 38 N HN 0.698 nan 8.380 nan 0.000 0.472 39 G N -0.036 108.728 108.800 -0.061 0.000 2.415 39 G HA2 0.671 4.631 3.960 -0.000 0.000 0.317 39 G HA3 0.671 4.631 3.960 -0.000 0.000 0.317 39 G C -1.480 173.414 174.900 -0.009 0.000 1.152 39 G CA -0.224 44.860 45.100 -0.027 0.000 0.956 39 G HN 0.596 nan 8.290 nan 0.000 0.458 40 A N 2.461 125.295 122.820 0.023 0.000 2.577 40 A HA 0.665 4.985 4.320 -0.000 0.000 0.297 40 A C -0.409 177.262 177.584 0.144 0.000 1.060 40 A CA -0.781 51.298 52.037 0.070 0.000 0.697 40 A CB 1.300 20.336 19.000 0.060 0.000 1.281 40 A HN 0.726 nan 8.150 nan 0.000 0.402 41 E N 1.645 121.931 120.200 0.143 0.000 2.415 41 E HA 0.186 4.536 4.350 -0.000 0.000 0.260 41 E C 0.040 176.775 176.600 0.225 0.000 1.016 41 E CA 0.141 56.638 56.400 0.163 0.000 0.924 41 E CB 0.348 30.138 29.700 0.150 0.000 0.961 41 E HN 0.588 nan 8.360 nan 0.000 0.459 42 E N 5.632 125.966 120.200 0.224 0.000 2.174 42 E HA 0.282 4.632 4.350 -0.000 0.000 0.282 42 E C -0.345 176.289 176.600 0.057 0.000 0.992 42 E CA -0.790 55.723 56.400 0.189 0.000 0.803 42 E CB 1.290 31.130 29.700 0.234 0.000 1.090 42 E HN 0.382 nan 8.360 nan 0.000 0.396 43 I N 3.020 123.590 120.570 -0.001 0.000 2.389 43 I HA 0.301 4.471 4.170 -0.000 0.000 0.288 43 I C -1.186 174.879 176.117 -0.087 0.000 0.999 43 I CA -0.715 60.596 61.300 0.018 0.000 1.129 43 I CB 1.351 39.445 38.000 0.157 0.000 1.288 43 I HN 0.719 nan 8.210 nan 0.000 0.444 44 D N 5.992 126.346 120.400 -0.076 0.000 2.348 44 D HA 0.541 5.181 4.640 -0.000 0.000 0.253 44 D C 0.227 176.488 176.300 -0.066 0.000 1.161 44 D CA 0.125 54.064 54.000 -0.103 0.000 0.876 44 D CB 1.253 42.005 40.800 -0.080 0.000 1.160 44 D HN 0.622 nan 8.370 nan 0.000 0.459 45 A N 3.030 125.801 122.820 -0.081 0.000 2.594 45 A HA 0.213 4.533 4.320 -0.000 0.000 0.292 45 A C 0.392 177.947 177.584 -0.049 0.000 1.026 45 A CA -0.493 51.515 52.037 -0.049 0.000 0.983 45 A CB 0.028 19.005 19.000 -0.038 0.000 1.233 45 A HN 0.481 nan 8.150 nan 0.000 0.519 46 T N 0.646 115.167 114.554 -0.055 0.000 2.867 46 T HA 0.405 4.755 4.350 -0.000 0.000 0.297 46 T C 1.465 176.144 174.700 -0.036 0.000 0.989 46 T CA 1.654 63.728 62.100 -0.044 0.000 1.159 46 T CB 0.539 69.380 68.868 -0.044 0.000 0.928 46 T HN 1.538 nan 8.240 nan 0.000 0.538 47 G N 2.071 110.852 108.800 -0.031 0.000 2.179 47 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.260 47 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.260 47 G C 0.375 175.224 174.900 -0.084 0.000 0.977 47 G CA -0.042 45.049 45.100 -0.015 0.000 0.641 47 G HN 0.831 nan 8.290 nan 0.000 0.533 48 C N -0.383 118.848 119.300 -0.114 0.000 2.486 48 C HA 0.796 5.255 4.460 -0.000 0.000 0.348 48 C C 0.010 174.930 174.990 -0.117 0.000 1.203 48 C CA -1.322 57.593 59.018 -0.172 0.000 1.911 48 C CB 0.960 28.657 27.740 -0.072 0.000 2.340 48 C HN 0.285 nan 8.230 nan 0.000 0.511 49 Y N 0.552 120.861 120.300 0.014 0.000 2.308 49 Y HA 0.469 5.019 4.550 -0.000 0.000 0.329 49 Y C 0.296 176.214 175.900 0.031 0.000 1.111 49 Y CA -0.603 57.511 58.100 0.023 0.000 1.179 49 Y CB 0.735 39.231 38.460 0.060 0.000 1.201 49 Y HN 0.299 nan 8.280 nan 0.000 0.483 50 V N 6.293 126.301 119.914 0.158 0.000 2.293 50 V HA 0.363 4.483 4.120 -0.000 0.000 0.275 50 V C 0.002 176.109 176.094 0.022 0.000 1.021 50 V CA -0.592 61.746 62.300 0.063 0.000 0.815 50 V CB -0.152 31.673 31.823 0.004 0.000 1.025 50 V HN 0.618 nan 8.190 nan 0.000 0.448 51 I N 2.871 123.460 120.570 0.031 0.000 2.910 51 I HA 0.773 4.943 4.170 -0.000 0.000 0.310 51 I C -2.769 173.324 176.117 -0.041 0.000 1.043 51 I CA -3.094 58.191 61.300 -0.024 0.000 1.053 51 I CB 2.327 40.305 38.000 -0.037 0.000 1.242 51 I HN 0.268 nan 8.210 nan 0.000 0.452 52 P HA 0.153 nan 4.420 nan 0.000 0.271 52 P C -0.016 177.240 177.300 -0.073 0.000 1.216 52 P CA 0.018 63.083 63.100 -0.058 0.000 0.776 52 P CB 0.581 32.251 31.700 -0.051 0.000 0.881 53 G N 2.616 111.381 108.800 -0.059 0.000 2.305 53 G HA2 0.332 4.292 3.960 -0.000 0.000 0.243 53 G HA3 0.332 4.292 3.960 -0.000 0.000 0.243 53 G C 0.597 175.454 174.900 -0.072 0.000 1.288 53 G CA -0.109 44.956 45.100 -0.057 0.000 0.901 53 G HN 0.617 nan 8.290 nan 0.000 0.516 54 G N 0.434 109.185 108.800 -0.081 0.000 2.491 54 G HA2 0.397 4.356 3.960 -0.000 0.000 0.238 54 G HA3 0.397 4.356 3.960 -0.000 0.000 0.238 54 G C -0.079 174.785 174.900 -0.060 0.000 1.277 54 G CA -0.479 44.565 45.100 -0.094 0.000 0.851 54 G HN 0.669 nan 8.290 nan 0.000 0.573 55 I N 1.488 122.028 120.570 -0.051 0.000 2.389 55 I HA 0.170 4.340 4.170 -0.000 0.000 0.288 55 I C -0.867 175.244 176.117 -0.010 0.000 0.999 55 I CA -0.691 60.591 61.300 -0.029 0.000 1.129 55 I CB 2.029 40.022 38.000 -0.012 0.000 1.288 55 I HN 0.315 nan 8.210 nan 0.000 0.444 56 D N 9.335 129.725 120.400 -0.017 0.000 2.412 56 D HA 0.252 4.891 4.640 -0.000 0.000 0.224 56 D C -1.908 174.385 176.300 -0.012 0.000 1.093 56 D CA -2.059 51.947 54.000 0.009 0.000 0.850 56 D CB 1.757 42.557 40.800 0.000 0.000 1.046 56 D HN 0.246 nan 8.370 nan 0.000 0.507 57 P HA 0.048 nan 4.420 nan 0.000 0.256 57 P C -0.499 176.785 177.300 -0.027 0.000 1.384 57 P CA 0.074 63.092 63.100 -0.137 0.000 0.879 57 P CB -0.236 31.343 31.700 -0.200 0.000 1.403 58 H N 0.199 119.271 119.070 0.004 0.000 2.808 58 H HA 0.323 4.878 4.556 -0.000 0.000 0.268 58 H C -0.697 174.699 175.328 0.113 0.000 1.306 58 H CA -0.244 55.886 56.048 0.138 0.000 1.565 58 H CB 0.663 30.585 29.762 0.268 0.000 1.632 58 H HN -0.075 nan 8.280 nan 0.000 0.525 59 T N 0.407 115.086 114.554 0.209 0.000 2.906 59 T HA 0.323 4.673 4.350 -0.000 0.000 0.295 59 T C -0.656 174.047 174.700 0.004 0.000 1.075 59 T CA -0.957 61.227 62.100 0.139 0.000 1.005 59 T CB 2.082 70.988 68.868 0.063 0.000 1.136 59 T HN 0.534 nan 8.240 nan 0.000 0.498 60 H N 1.845 121.104 119.070 0.315 0.000 2.380 60 H HA 0.355 4.911 4.556 -0.000 0.000 0.231 60 H C -0.960 174.430 175.328 0.103 0.000 1.415 60 H CA -0.583 55.649 56.048 0.308 0.000 1.433 60 H CB 0.515 30.463 29.762 0.310 0.000 1.544 60 H HN 0.278 nan 8.280 nan 0.000 0.503 61 L N 1.519 122.759 121.223 0.029 0.000 2.371 61 L HA 0.061 4.401 4.340 -0.000 0.000 0.272 61 L C 1.049 177.857 176.870 -0.104 0.000 1.124 61 L CA 0.195 54.886 54.840 -0.247 0.000 0.816 61 L CB 0.353 41.827 42.059 -0.977 0.000 1.129 61 L HN 0.525 nan 8.230 nan 0.000 0.448 62 D N 2.213 122.569 120.400 -0.074 0.000 2.697 62 D HA -0.271 4.369 4.640 -0.000 0.000 0.235 62 D C -0.066 176.244 176.300 0.017 0.000 1.167 62 D CA 0.770 54.769 54.000 -0.002 0.000 0.656 62 D CB -0.304 40.540 40.800 0.074 0.000 1.025 62 D HN 0.484 nan 8.370 nan 0.000 0.419 63 M N 0.345 119.994 119.600 0.081 0.000 2.233 63 M HA 0.466 4.946 4.480 -0.000 0.000 0.355 63 M C -2.408 174.022 176.300 0.217 0.000 1.191 63 M CA -1.662 53.756 55.300 0.197 0.000 1.101 63 M CB 1.425 34.214 32.600 0.315 0.000 1.592 63 M HN -0.180 nan 8.290 nan 0.000 0.461 64 P HA 0.272 nan 4.420 nan 0.000 0.285 64 P C -1.703 175.811 177.300 0.357 0.000 1.259 64 P CA -0.021 63.224 63.100 0.241 0.000 0.794 64 P CB 0.376 32.179 31.700 0.171 0.000 0.940 65 F N 3.464 123.507 119.950 0.156 0.000 2.941 65 F HA 0.518 5.045 4.527 -0.000 0.000 0.359 65 F C 0.666 176.479 175.800 0.022 0.000 1.231 65 F CA 0.407 58.461 58.000 0.089 0.000 1.089 65 F CB 0.669 39.735 39.000 0.110 0.000 1.407 65 F HN 0.659 nan 8.300 nan 0.000 0.538 66 G N 3.932 112.389 108.800 -0.570 0.000 2.561 66 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.289 66 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.289 66 G C 0.926 175.713 174.900 -0.188 0.000 1.169 66 G CA 0.118 44.930 45.100 -0.480 0.000 0.980 66 G HN 1.617 nan 8.290 nan 0.000 0.550 67 G N -0.164 108.557 108.800 -0.133 0.000 3.337 67 G HA2 0.509 4.469 3.960 -0.000 0.000 0.246 67 G HA3 0.509 4.469 3.960 -0.000 0.000 0.246 67 G C 0.397 175.306 174.900 0.015 0.000 1.131 67 G CA 1.777 46.848 45.100 -0.048 0.000 0.773 67 G HN 1.070 nan 8.290 nan 0.000 0.544 68 T N -0.526 114.066 114.554 0.064 0.000 2.907 68 T HA 0.636 4.986 4.350 -0.000 0.000 0.290 68 T C -0.962 173.887 174.700 0.249 0.000 1.066 68 T CA -0.360 61.833 62.100 0.155 0.000 1.012 68 T CB 2.033 71.019 68.868 0.196 0.000 1.184 68 T HN -0.072 nan 8.240 nan 0.000 0.522 69 V N 1.679 121.748 119.914 0.259 0.000 3.074 69 V HA 0.564 4.684 4.120 -0.000 0.000 0.314 69 V C 0.393 176.601 176.094 0.189 0.000 1.117 69 V CA -1.131 61.309 62.300 0.234 0.000 1.014 69 V CB 1.957 33.848 31.823 0.113 0.000 1.057 69 V HN 1.125 nan 8.190 nan 0.000 0.438 70 T N 0.104 114.638 114.554 -0.034 0.000 2.940 70 T HA 0.332 4.682 4.350 -0.000 0.000 0.309 70 T C 1.298 175.871 174.700 -0.213 0.000 1.056 70 T CA 0.234 62.062 62.100 -0.453 0.000 1.137 70 T CB 1.113 69.680 68.868 -0.502 0.000 0.976 70 T HN 1.112 nan 8.240 nan 0.000 0.547 71 A N 1.904 124.586 122.820 -0.230 0.000 2.024 71 A HA -0.006 4.314 4.320 -0.000 0.000 0.220 71 A C 0.902 178.446 177.584 -0.067 0.000 1.164 71 A CA 0.917 52.904 52.037 -0.083 0.000 0.643 71 A CB -0.425 18.543 19.000 -0.053 0.000 0.806 71 A HN 0.853 nan 8.150 nan 0.000 0.451 72 D N 0.105 120.440 120.400 -0.108 0.000 2.193 72 D HA 0.405 5.045 4.640 -0.000 0.000 0.244 72 D C -0.462 175.805 176.300 -0.055 0.000 1.064 72 D CA -0.393 53.576 54.000 -0.052 0.000 0.845 72 D CB 1.384 42.199 40.800 0.025 0.000 1.148 72 D HN 0.466 nan 8.370 nan 0.000 0.464 73 D N 0.331 120.726 120.400 -0.010 0.000 2.595 73 D HA 0.131 4.771 4.640 -0.000 0.000 0.268 73 D C 0.880 177.176 176.300 -0.007 0.000 1.181 73 D CA -0.583 53.435 54.000 0.029 0.000 1.085 73 D CB -0.048 40.818 40.800 0.109 0.000 1.186 73 D HN 0.138 nan 8.370 nan 0.000 0.621 74 F N -1.149 118.807 119.950 0.011 0.000 2.451 74 F HA 0.045 4.572 4.527 -0.000 0.000 0.299 74 F C 1.831 177.659 175.800 0.046 0.000 1.101 74 F CA 0.469 58.464 58.000 -0.008 0.000 1.436 74 F CB -0.204 38.748 39.000 -0.079 0.000 1.074 74 F HN 0.277 nan 8.300 nan 0.000 0.553 75 F N 0.616 120.619 119.950 0.088 0.000 2.164 75 F HA -0.079 4.448 4.527 -0.000 0.000 0.287 75 F C 2.708 178.498 175.800 -0.018 0.000 1.086 75 F CA 1.740 59.769 58.000 0.047 0.000 1.249 75 F CB -1.072 37.957 39.000 0.048 0.000 1.059 75 F HN -0.066 nan 8.300 nan 0.000 0.490 76 T N -1.749 112.677 114.554 -0.212 0.000 2.788 76 T HA -0.032 4.318 4.350 -0.000 0.000 0.268 76 T C 2.294 176.824 174.700 -0.283 0.000 1.044 76 T CA 1.169 63.065 62.100 -0.339 0.000 1.139 76 T CB -1.579 67.238 68.868 -0.085 0.000 0.867 76 T HN 0.321 nan 8.240 nan 0.000 0.454 77 G N 1.910 110.597 108.800 -0.187 0.000 2.421 77 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.216 77 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.216 77 G C 1.935 176.695 174.900 -0.234 0.000 1.171 77 G CA 1.762 46.745 45.100 -0.196 0.000 0.775 77 G HN 0.694 nan 8.290 nan 0.000 0.543 78 T N -1.501 112.934 114.554 -0.198 0.000 2.904 78 T HA 0.017 4.367 4.350 -0.000 0.000 0.267 78 T C 2.209 176.820 174.700 -0.148 0.000 1.059 78 T CA 1.113 63.135 62.100 -0.129 0.000 1.137 78 T CB -0.133 68.727 68.868 -0.013 0.000 0.879 78 T HN 0.236 nan 8.240 nan 0.000 0.467 79 R N 1.216 121.542 120.500 -0.290 0.000 2.075 79 R HA 0.074 4.414 4.340 -0.000 0.000 0.232 79 R C 2.713 178.970 176.300 -0.072 0.000 1.126 79 R CA 1.407 57.319 56.100 -0.313 0.000 0.963 79 R CB -0.792 29.052 30.300 -0.760 0.000 0.858 79 R HN 0.517 nan 8.270 nan 0.000 0.435 80 A N 0.597 123.338 122.820 -0.132 0.000 1.969 80 A HA -0.069 4.251 4.320 -0.000 0.000 0.218 80 A C 2.291 179.841 177.584 -0.057 0.000 1.169 80 A CA 1.558 53.554 52.037 -0.068 0.000 0.635 80 A CB -0.499 18.391 19.000 -0.184 0.000 0.810 80 A HN 0.494 nan 8.150 nan 0.000 0.445 81 A N -0.005 122.744 122.820 -0.118 0.000 1.902 81 A HA 0.171 4.491 4.320 -0.000 0.000 0.217 81 A C 2.510 180.071 177.584 -0.040 0.000 1.181 81 A CA 2.011 53.989 52.037 -0.097 0.000 0.623 81 A CB -1.029 17.904 19.000 -0.111 0.000 0.818 81 A HN 1.016 nan 8.150 nan 0.000 0.443 82 A N -0.974 121.821 122.820 -0.042 0.000 1.883 82 A HA -0.078 4.242 4.320 -0.000 0.000 0.217 82 A C 1.955 179.475 177.584 -0.107 0.000 1.186 82 A CA 1.586 53.579 52.037 -0.073 0.000 0.624 82 A CB -0.883 18.062 19.000 -0.091 0.000 0.822 82 A HN 0.484 nan 8.150 nan 0.000 0.444 83 F N 0.261 120.133 119.950 -0.130 0.000 2.333 83 F HA -0.038 4.489 4.527 -0.000 0.000 0.300 83 F C 2.394 178.154 175.800 -0.067 0.000 1.083 83 F CA 1.055 58.944 58.000 -0.185 0.000 1.395 83 F CB -0.197 38.483 39.000 -0.533 0.000 1.056 83 F HN 0.319 nan 8.300 nan 0.000 0.529 84 G N -1.359 107.510 108.800 0.116 0.000 2.985 84 G HA2 0.317 4.277 3.960 -0.000 0.000 0.209 84 G HA3 0.317 4.277 3.960 -0.000 0.000 0.209 84 G C 1.428 176.387 174.900 0.099 0.000 1.165 84 G CA 0.365 45.530 45.100 0.109 0.000 0.776 84 G HN 0.565 nan 8.290 nan 0.000 0.541 85 G N -0.897 107.943 108.800 0.066 0.000 2.141 85 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.242 85 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.242 85 G C 0.234 175.136 174.900 0.004 0.000 0.982 85 G CA 0.291 45.423 45.100 0.054 0.000 0.662 85 G HN 0.541 nan 8.290 nan 0.000 0.527 86 T N 1.238 115.786 114.554 -0.009 0.000 2.743 86 T HA 0.513 4.863 4.350 -0.000 0.000 0.292 86 T C 1.470 176.153 174.700 -0.029 0.000 0.972 86 T CA 0.477 62.560 62.100 -0.028 0.000 0.967 86 T CB 1.285 70.132 68.868 -0.035 0.000 0.926 86 T HN 0.588 nan 8.240 nan 0.000 0.459 87 T N -0.295 114.241 114.554 -0.032 0.000 3.040 87 T HA 0.302 4.652 4.350 -0.000 0.000 0.250 87 T C 0.650 175.338 174.700 -0.020 0.000 1.058 87 T CA -0.273 61.811 62.100 -0.026 0.000 0.988 87 T CB 0.357 69.202 68.868 -0.038 0.000 0.993 87 T HN 0.350 nan 8.240 nan 0.000 0.519 88 S N 0.862 116.546 115.700 -0.027 0.000 2.536 88 S HA 0.747 5.217 4.470 -0.000 0.000 0.271 88 S C -1.027 173.553 174.600 -0.033 0.000 1.134 88 S CA -1.048 57.135 58.200 -0.029 0.000 0.897 88 S CB 1.758 64.922 63.200 -0.061 0.000 1.094 88 S HN 0.583 nan 8.310 nan 0.000 0.473 89 I N -0.828 119.730 120.570 -0.019 0.000 2.969 89 I HA 0.898 5.068 4.170 -0.000 0.000 0.307 89 I C -1.276 174.790 176.117 -0.086 0.000 1.149 89 I CA -1.144 60.133 61.300 -0.039 0.000 1.008 89 I CB 2.081 40.078 38.000 -0.004 0.000 1.232 89 I HN 0.406 nan 8.210 nan 0.000 0.435 90 V N 3.079 122.880 119.914 -0.189 0.000 2.409 90 V HA 0.411 4.531 4.120 -0.000 0.000 0.290 90 V C -1.096 174.798 176.094 -0.333 0.000 1.017 90 V CA 0.046 62.117 62.300 -0.381 0.000 0.841 90 V CB 1.457 32.803 31.823 -0.796 0.000 1.003 90 V HN 0.942 nan 8.190 nan 0.000 0.426 91 D N 4.481 124.869 120.400 -0.019 0.000 2.283 91 D HA 0.414 5.053 4.640 -0.000 0.000 0.248 91 D C -0.702 175.628 176.300 0.049 0.000 1.072 91 D CA -0.260 53.840 54.000 0.166 0.000 0.929 91 D CB 0.985 42.174 40.800 0.650 0.000 1.182 91 D HN 0.425 nan 8.370 nan 0.000 0.433 92 F N 2.452 122.522 119.950 0.200 0.000 2.413 92 F HA 0.198 4.725 4.527 -0.000 0.000 0.359 92 F C 0.370 176.024 175.800 -0.243 0.000 1.122 92 F CA -0.806 57.242 58.000 0.080 0.000 1.160 92 F CB 0.616 39.704 39.000 0.147 0.000 1.146 92 F HN 0.244 nan 8.300 nan 0.000 0.514 93 C N 7.520 126.469 119.300 -0.584 0.000 2.464 93 C HA 0.515 4.975 4.460 -0.000 0.000 0.370 93 C C 0.179 174.529 174.990 -1.067 0.000 1.267 93 C CA -0.902 57.059 59.018 -1.762 0.000 1.781 93 C CB -1.574 25.370 27.740 -1.325 0.000 2.431 93 C HN 0.668 nan 8.230 nan 0.000 0.556 94 L N 6.943 127.384 121.223 -1.303 0.000 2.350 94 L HA 0.526 4.866 4.340 -0.000 0.000 0.275 94 L C 0.981 177.624 176.870 -0.379 0.000 1.099 94 L CA 0.055 54.574 54.840 -0.535 0.000 0.808 94 L CB 1.468 43.388 42.059 -0.231 0.000 1.149 94 L HN 0.819 nan 8.230 nan 0.000 0.442 95 T N -0.399 113.996 114.554 -0.265 0.000 2.926 95 T HA 0.697 5.047 4.350 -0.000 0.000 0.289 95 T C -0.679 173.964 174.700 -0.095 0.000 1.054 95 T CA -0.969 61.048 62.100 -0.137 0.000 1.015 95 T CB 2.597 71.403 68.868 -0.103 0.000 1.167 95 T HN 0.352 nan 8.240 nan 0.000 0.526 96 K N 0.370 120.758 120.400 -0.020 0.000 2.513 96 K HA 0.586 4.906 4.320 -0.000 0.000 0.251 96 K C -1.138 175.478 176.600 0.027 0.000 0.939 96 K CA -0.733 55.568 56.287 0.023 0.000 0.793 96 K CB 1.881 34.415 32.500 0.056 0.000 1.241 96 K HN 0.564 nan 8.250 nan 0.000 0.431 97 K N 1.491 121.914 120.400 0.038 0.000 2.401 97 K HA 0.534 4.854 4.320 -0.000 0.000 0.278 97 K C 0.482 177.103 176.600 0.034 0.000 1.018 97 K CA 1.490 57.797 56.287 0.035 0.000 0.981 97 K CB 0.735 33.260 32.500 0.041 0.000 0.933 97 K HN 0.719 nan 8.250 nan 0.000 0.477 98 G N 2.787 111.604 108.800 0.028 0.000 1.876 98 G HA2 -0.089 3.871 3.960 -0.000 0.000 0.059 98 G HA3 -0.089 3.871 3.960 -0.000 0.000 0.059 98 G C -1.255 173.659 174.900 0.023 0.000 0.755 98 G CA -0.158 44.958 45.100 0.027 0.000 1.092 98 G HN 0.507 nan 8.290 nan 0.000 0.322 99 E N 1.251 121.465 120.200 0.024 0.000 2.916 99 E HA 0.609 4.959 4.350 -0.000 0.000 0.217 99 E C -0.742 175.871 176.600 0.023 0.000 1.100 99 E CA -0.108 56.305 56.400 0.022 0.000 0.891 99 E CB 0.694 30.406 29.700 0.021 0.000 1.311 99 E HN 0.486 nan 8.360 nan 0.000 0.421 100 S N 4.612 120.324 115.700 0.021 0.000 2.448 100 S HA 0.393 4.863 4.470 -0.000 0.000 0.320 100 S C 0.064 174.675 174.600 0.019 0.000 1.071 100 S CA -0.834 57.378 58.200 0.021 0.000 1.113 100 S CB -0.060 63.149 63.200 0.015 0.000 0.972 100 S HN 0.561 nan 8.310 nan 0.000 0.465 101 L N 2.761 123.997 121.223 0.022 0.000 3.100 101 L HA 0.623 4.962 4.340 -0.000 0.000 0.259 101 L C 0.172 177.056 176.870 0.024 0.000 1.316 101 L CA -0.758 54.094 54.840 0.020 0.000 0.992 101 L CB -0.581 41.489 42.059 0.019 0.000 1.390 101 L HN 0.814 nan 8.230 nan 0.000 0.550 102 K N -1.110 119.304 120.400 0.025 0.000 3.446 102 K HA -0.215 4.105 4.320 -0.000 0.000 0.312 102 K C 1.438 178.062 176.600 0.040 0.000 1.329 102 K CA 0.821 57.127 56.287 0.031 0.000 0.935 102 K CB -1.979 30.542 32.500 0.036 0.000 1.281 102 K HN 0.815 nan 8.250 nan 0.000 0.457 103 S N -0.191 115.531 115.700 0.037 0.000 2.402 103 S HA -0.073 4.397 4.470 -0.000 0.000 0.229 103 S C 2.183 176.822 174.600 0.066 0.000 1.021 103 S CA 0.741 58.969 58.200 0.048 0.000 0.974 103 S CB -0.084 63.140 63.200 0.041 0.000 0.800 103 S HN 0.477 nan 8.310 nan 0.000 0.484 104 A N 2.295 125.146 122.820 0.052 0.000 1.877 104 A HA 0.063 4.383 4.320 -0.000 0.000 0.216 104 A C 2.237 179.866 177.584 0.075 0.000 1.186 104 A CA 1.523 53.599 52.037 0.066 0.000 0.620 104 A CB -0.876 18.108 19.000 -0.027 0.000 0.822 104 A HN 0.572 nan 8.150 nan 0.000 0.443 105 I N -0.326 120.251 120.570 0.011 0.000 2.286 105 I HA -0.270 3.899 4.170 -0.000 0.000 0.248 105 I C 2.941 179.135 176.117 0.129 0.000 1.115 105 I CA 0.993 62.290 61.300 -0.004 0.000 1.392 105 I CB -0.365 37.664 38.000 0.048 0.000 1.065 105 I HN 0.374 nan 8.210 nan 0.000 0.418 106 A N 0.913 123.818 122.820 0.142 0.000 1.902 106 A HA -0.230 4.090 4.320 -0.000 0.000 0.217 106 A C 2.467 180.129 177.584 0.130 0.000 1.181 106 A CA 2.379 54.506 52.037 0.151 0.000 0.623 106 A CB -1.149 17.898 19.000 0.079 0.000 0.818 106 A HN 0.521 nan 8.150 nan 0.000 0.443 107 T N -4.651 109.973 114.554 0.116 0.000 2.867 107 T HA -0.186 4.164 4.350 -0.000 0.000 0.268 107 T C 1.819 176.525 174.700 0.009 0.000 1.057 107 T CA 1.079 63.222 62.100 0.072 0.000 1.136 107 T CB -0.454 68.473 68.868 0.098 0.000 0.874 107 T HN 0.590 nan 8.240 nan 0.000 0.466 108 W N 1.200 122.371 121.300 -0.215 0.000 2.381 108 W HA -0.072 4.588 4.660 -0.000 0.000 0.301 108 W C 2.545 178.848 176.519 -0.361 0.000 1.205 108 W CA 1.110 58.199 57.345 -0.427 0.000 1.285 108 W CB -0.362 28.567 29.460 -0.884 0.000 1.133 108 W HN 0.446 nan 8.180 nan 0.000 0.521 109 H N -0.239 118.844 119.070 0.022 0.000 2.387 109 H HA -0.163 4.392 4.556 -0.000 0.000 0.299 109 H C 1.934 177.242 175.328 -0.032 0.000 1.090 109 H CA 1.775 57.897 56.048 0.124 0.000 1.332 109 H CB -0.384 29.426 29.762 0.079 0.000 1.386 109 H HN 0.303 nan 8.280 nan 0.000 0.516 110 E N 1.007 121.235 120.200 0.046 0.000 2.268 110 E HA -0.122 4.228 4.350 -0.000 0.000 0.195 110 E C 1.713 178.236 176.600 -0.128 0.000 0.995 110 E CA 0.577 56.960 56.400 -0.029 0.000 0.836 110 E CB 0.217 29.903 29.700 -0.024 0.000 0.763 110 E HN 0.397 nan 8.360 nan 0.000 0.491 111 K N -0.509 119.731 120.400 -0.266 0.000 2.167 111 K HA -0.006 4.314 4.320 -0.000 0.000 0.203 111 K C 1.831 178.127 176.600 -0.506 0.000 1.052 111 K CA 0.917 56.989 56.287 -0.359 0.000 0.956 111 K CB 0.199 32.390 32.500 -0.516 0.000 0.735 111 K HN 0.047 nan 8.250 nan 0.000 0.451 112 A N 1.041 123.416 122.820 -0.742 0.000 2.063 112 A HA 0.075 4.395 4.320 -0.000 0.000 0.211 112 A C 0.631 178.049 177.584 -0.276 0.000 1.177 112 A CA -0.067 51.458 52.037 -0.854 0.000 0.759 112 A CB 0.062 18.153 19.000 -1.515 0.000 0.857 112 A HN 0.073 nan 8.150 nan 0.000 0.468 113 R N -0.069 120.378 120.500 -0.088 0.000 2.504 113 R HA 0.228 4.568 4.340 -0.000 0.000 0.291 113 R C 1.133 177.448 176.300 0.026 0.000 0.974 113 R CA 0.863 56.988 56.100 0.041 0.000 1.077 113 R CB -0.212 30.119 30.300 0.051 0.000 0.926 113 R HN 0.751 nan 8.270 nan 0.000 0.407 114 G N 2.564 111.404 108.800 0.066 0.000 2.179 114 G HA2 -0.345 3.615 3.960 -0.000 0.000 0.257 114 G HA3 -0.345 3.615 3.960 -0.000 0.000 0.257 114 G C 0.574 175.512 174.900 0.063 0.000 1.010 114 G CA 0.989 46.123 45.100 0.057 0.000 0.736 114 G HN 0.676 nan 8.290 nan 0.000 0.513 115 K N -0.996 119.464 120.400 0.100 0.000 2.631 115 K HA 0.520 4.840 4.320 -0.000 0.000 0.200 115 K C 1.356 178.143 176.600 0.311 0.000 1.481 115 K CA 0.370 56.767 56.287 0.183 0.000 1.087 115 K CB 0.604 33.203 32.500 0.167 0.000 1.502 115 K HN 0.592 nan 8.250 nan 0.000 0.560 116 A N 1.551 124.497 122.820 0.209 0.000 2.477 116 A HA 0.167 4.487 4.320 -0.000 0.000 0.246 116 A C 1.023 178.771 177.584 0.273 0.000 1.078 116 A CA -0.097 52.077 52.037 0.228 0.000 0.770 116 A CB 0.228 19.295 19.000 0.112 0.000 1.011 116 A HN 0.159 nan 8.150 nan 0.000 0.494 117 V N 0.929 120.997 119.914 0.257 0.000 3.650 117 V HA 0.389 4.509 4.120 -0.000 0.000 0.271 117 V C 0.453 176.660 176.094 0.188 0.000 1.281 117 V CA 0.780 63.240 62.300 0.267 0.000 1.120 117 V CB -1.850 30.188 31.823 0.358 0.000 0.856 117 V HN 0.744 nan 8.190 nan 0.000 0.443 118 I N -3.404 117.274 120.570 0.180 0.000 3.095 118 I HA 0.671 4.841 4.170 -0.000 0.000 0.310 118 I C -1.164 175.078 176.117 0.209 0.000 1.196 118 I CA -1.050 60.332 61.300 0.137 0.000 0.985 118 I CB 1.577 39.624 38.000 0.078 0.000 1.250 118 I HN -0.198 nan 8.210 nan 0.000 0.446 119 D N 2.080 122.545 120.400 0.109 0.000 2.400 119 D HA 0.330 4.970 4.640 -0.000 0.000 0.238 119 D C -1.038 175.327 176.300 0.109 0.000 1.157 119 D CA 1.005 55.030 54.000 0.042 0.000 0.889 119 D CB 0.510 41.254 40.800 -0.094 0.000 1.199 119 D HN 0.586 nan 8.370 nan 0.000 0.436 120 Y N -2.375 117.865 120.300 -0.100 0.000 2.581 120 Y HA 0.675 5.225 4.550 -0.000 0.000 0.337 120 Y C -0.272 175.417 175.900 -0.353 0.000 1.108 120 Y CA -1.363 56.651 58.100 -0.143 0.000 1.033 120 Y CB 1.095 39.565 38.460 0.017 0.000 1.318 120 Y HN 0.366 nan 8.280 nan 0.000 0.459 121 G N 1.111 109.718 108.800 -0.323 0.000 2.714 121 G HA2 0.733 4.693 3.960 -0.000 0.000 0.292 121 G HA3 0.733 4.693 3.960 -0.000 0.000 0.292 121 G C -2.252 172.435 174.900 -0.354 0.000 1.308 121 G CA -1.003 43.782 45.100 -0.524 0.000 0.964 121 G HN 0.394 nan 8.290 nan 0.000 0.484 122 F N -0.441 119.475 119.950 -0.057 0.000 2.551 122 F HA 0.502 5.029 4.527 -0.000 0.000 0.316 122 F C 0.183 175.792 175.800 -0.319 0.000 1.089 122 F CA -1.080 56.839 58.000 -0.134 0.000 0.915 122 F CB 2.193 41.203 39.000 0.017 0.000 1.186 122 F HN 0.259 nan 8.300 nan 0.000 0.456 123 H N 2.364 121.396 119.070 -0.063 0.000 2.567 123 H HA 0.520 5.076 4.556 -0.000 0.000 0.345 123 H C -0.816 174.474 175.328 -0.063 0.000 1.169 123 H CA -0.676 55.278 56.048 -0.157 0.000 1.227 123 H CB 2.574 32.066 29.762 -0.450 0.000 1.607 123 H HN 0.430 nan 8.280 nan 0.000 0.534 124 L N 2.931 124.227 121.223 0.122 0.000 2.325 124 L HA 0.294 4.634 4.340 -0.000 0.000 0.281 124 L C -0.096 176.800 176.870 0.043 0.000 1.004 124 L CA -0.612 54.241 54.840 0.021 0.000 0.823 124 L CB 1.528 43.596 42.059 0.015 0.000 1.236 124 L HN 0.456 nan 8.230 nan 0.000 0.415 125 M N 4.597 124.192 119.600 -0.008 0.000 2.211 125 M HA 0.320 4.800 4.480 -0.000 0.000 0.356 125 M C -1.266 175.034 176.300 0.000 0.000 1.216 125 M CA -0.159 55.153 55.300 0.020 0.000 1.134 125 M CB 0.947 33.541 32.600 -0.010 0.000 1.564 125 M HN 0.420 nan 8.290 nan 0.000 0.463 126 I N 5.230 125.822 120.570 0.037 0.000 2.328 126 I HA 0.288 4.458 4.170 -0.000 0.000 0.287 126 I C 0.744 176.900 176.117 0.065 0.000 1.012 126 I CA 0.145 61.467 61.300 0.036 0.000 1.195 126 I CB 1.481 39.503 38.000 0.037 0.000 1.350 126 I HN 0.900 nan 8.210 nan 0.000 0.464 127 A N 4.980 127.827 122.820 0.046 0.000 1.935 127 A HA 0.118 4.438 4.320 -0.000 0.000 0.214 127 A C 0.814 178.447 177.584 0.081 0.000 1.178 127 A CA 0.849 52.929 52.037 0.072 0.000 0.640 127 A CB 0.039 19.067 19.000 0.046 0.000 0.825 127 A HN 0.675 nan 8.150 nan 0.000 0.447 128 E N -2.535 117.700 120.200 0.059 0.000 2.392 128 E HA 0.578 4.928 4.350 -0.000 0.000 0.279 128 E C -1.479 175.147 176.600 0.043 0.000 0.964 128 E CA -0.346 56.088 56.400 0.057 0.000 0.777 128 E CB 1.603 31.335 29.700 0.053 0.000 1.249 128 E HN 0.134 nan 8.360 nan 0.000 0.449 129 A N 3.347 126.193 122.820 0.042 0.000 3.232 129 A HA 0.302 4.622 4.320 -0.000 0.000 0.312 129 A C -0.425 177.177 177.584 0.029 0.000 1.185 129 A CA -0.581 51.475 52.037 0.032 0.000 1.011 129 A CB -1.060 17.958 19.000 0.030 0.000 1.096 129 A HN 0.581 nan 8.150 nan 0.000 0.543 130 N N -0.541 118.175 118.700 0.028 0.000 2.322 130 N HA 0.151 4.891 4.740 -0.000 0.000 0.270 130 N C 0.147 175.668 175.510 0.020 0.000 1.286 130 N CA -0.237 52.828 53.050 0.025 0.000 0.948 130 N CB 0.474 38.976 38.487 0.025 0.000 1.164 130 N HN 0.098 nan 8.380 nan 0.000 0.551 131 D N -0.731 119.680 120.400 0.018 0.000 2.117 131 D HA -0.166 4.474 4.640 -0.000 0.000 0.197 131 D C 1.600 177.908 176.300 0.014 0.000 0.987 131 D CA 1.515 55.524 54.000 0.015 0.000 0.829 131 D CB -0.285 40.523 40.800 0.014 0.000 0.961 131 D HN 0.612 nan 8.370 nan 0.000 0.460 132 Q N 0.213 120.022 119.800 0.015 0.000 2.124 132 Q HA -0.076 4.264 4.340 -0.000 0.000 0.202 132 Q C 2.407 178.415 176.000 0.014 0.000 0.977 132 Q CA 0.738 56.550 55.803 0.014 0.000 0.850 132 Q CB 0.056 28.803 28.738 0.015 0.000 0.901 132 Q HN 0.172 nan 8.270 nan 0.000 0.429 133 V N 0.795 120.718 119.914 0.015 0.000 2.358 133 V HA -0.235 3.885 4.120 -0.000 0.000 0.246 133 V C 2.093 178.194 176.094 0.012 0.000 1.047 133 V CA 1.267 63.575 62.300 0.015 0.000 1.035 133 V CB -0.371 31.462 31.823 0.017 0.000 0.658 133 V HN 0.241 nan 8.190 nan 0.000 0.452 134 L N 0.705 121.934 121.223 0.010 0.000 2.046 134 L HA -0.195 4.145 4.340 -0.000 0.000 0.208 134 L C 2.598 179.472 176.870 0.007 0.000 1.077 134 L CA 2.271 57.115 54.840 0.006 0.000 0.747 134 L CB -0.961 41.099 42.059 0.002 0.000 0.896 134 L HN 0.631 nan 8.230 nan 0.000 0.432 135 E N -0.930 119.275 120.200 0.009 0.000 2.158 135 E HA -0.216 4.134 4.350 -0.000 0.000 0.191 135 E C 1.935 178.542 176.600 0.012 0.000 0.982 135 E CA 0.935 57.341 56.400 0.009 0.000 0.823 135 E CB -0.409 29.297 29.700 0.010 0.000 0.766 135 E HN 0.561 nan 8.360 nan 0.000 0.468 136 E N 0.888 121.096 120.200 0.013 0.000 2.152 136 E HA -0.076 4.274 4.350 -0.000 0.000 0.192 136 E C 2.096 178.707 176.600 0.019 0.000 0.983 136 E CA 0.361 56.771 56.400 0.016 0.000 0.818 136 E CB 0.045 29.755 29.700 0.016 0.000 0.758 136 E HN 0.331 nan 8.360 nan 0.000 0.467 137 L N 0.884 122.118 121.223 0.017 0.000 2.191 137 L HA -0.172 4.168 4.340 -0.000 0.000 0.212 137 L C 2.142 179.025 176.870 0.023 0.000 1.103 137 L CA 0.999 55.851 54.840 0.020 0.000 0.769 137 L CB -0.208 41.860 42.059 0.014 0.000 0.908 137 L HN 0.196 nan 8.230 nan 0.000 0.438 138 E N -0.402 119.809 120.200 0.018 0.000 2.110 138 E HA -0.191 4.159 4.350 -0.000 0.000 0.193 138 E C 2.197 178.812 176.600 0.025 0.000 0.988 138 E CA 1.615 58.026 56.400 0.019 0.000 0.804 138 E CB -0.041 29.668 29.700 0.014 0.000 0.745 138 E HN 0.543 nan 8.360 nan 0.000 0.458 139 S N 0.793 116.509 115.700 0.026 0.000 2.496 139 S HA -0.065 4.405 4.470 -0.000 0.000 0.224 139 S C 2.278 176.903 174.600 0.042 0.000 0.996 139 S CA 0.735 58.953 58.200 0.030 0.000 0.927 139 S CB -0.327 62.889 63.200 0.026 0.000 0.774 139 S HN 0.226 nan 8.310 nan 0.000 0.524 140 V N 1.272 121.213 119.914 0.045 0.000 2.488 140 V HA 0.045 4.165 4.120 -0.000 0.000 0.246 140 V C 2.265 178.403 176.094 0.073 0.000 1.046 140 V CA 1.128 63.465 62.300 0.062 0.000 1.053 140 V CB -1.068 30.788 31.823 0.056 0.000 0.679 140 V HN 0.587 nan 8.190 nan 0.000 0.458 141 I N 0.214 120.819 120.570 0.059 0.000 2.716 141 I HA 0.089 4.259 4.170 -0.000 0.000 0.259 141 I C 2.174 178.324 176.117 0.054 0.000 1.172 141 I CA 1.769 63.105 61.300 0.061 0.000 1.478 141 I CB -0.749 37.282 38.000 0.052 0.000 1.104 141 I HN 0.135 nan 8.210 nan 0.000 0.439 142 S N 0.731 116.459 115.700 0.045 0.000 2.406 142 S HA -0.024 4.446 4.470 -0.000 0.000 0.224 142 S C 1.935 176.559 174.600 0.041 0.000 1.030 142 S CA 1.236 59.458 58.200 0.037 0.000 0.958 142 S CB -0.295 62.922 63.200 0.028 0.000 0.811 142 S HN 0.763 nan 8.310 nan 0.000 0.489 143 S N 0.422 116.152 115.700 0.049 0.000 2.575 143 S HA 0.230 4.700 4.470 -0.000 0.000 0.230 143 S C 1.184 175.833 174.600 0.082 0.000 1.062 143 S CA -0.257 57.975 58.200 0.053 0.000 0.913 143 S CB -0.083 63.140 63.200 0.038 0.000 0.837 143 S HN 0.140 nan 8.310 nan 0.000 0.487 144 E N 1.788 122.050 120.200 0.105 0.000 2.435 144 E HA 0.198 4.548 4.350 -0.000 0.000 0.195 144 E C 1.392 178.145 176.600 0.254 0.000 1.029 144 E CA 0.655 57.155 56.400 0.166 0.000 0.865 144 E CB -0.490 29.304 29.700 0.156 0.000 0.833 144 E HN 0.722 nan 8.360 nan 0.000 0.510 145 G N 1.868 110.768 108.800 0.168 0.000 2.179 145 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.257 145 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.257 145 G C 0.250 175.224 174.900 0.123 0.000 1.010 145 G CA 0.337 45.514 45.100 0.129 0.000 0.736 145 G HN 0.285 nan 8.290 nan 0.000 0.513 146 I N 1.591 122.251 120.570 0.151 0.000 2.328 146 I HA 0.364 4.534 4.170 -0.000 0.000 0.287 146 I C 1.091 177.270 176.117 0.103 0.000 1.012 146 I CA 0.098 61.479 61.300 0.135 0.000 1.195 146 I CB 1.565 39.666 38.000 0.167 0.000 1.350 146 I HN 0.188 nan 8.210 nan 0.000 0.464 147 T N -0.000 114.615 114.554 0.101 0.000 3.266 147 T HA 0.231 4.581 4.350 -0.000 0.000 0.278 147 T C 0.147 174.934 174.700 0.144 0.000 1.010 147 T CA -0.475 61.690 62.100 0.108 0.000 0.909 147 T CB 0.125 69.052 68.868 0.100 0.000 1.122 147 T HN 0.378 nan 8.240 nan 0.000 0.536 148 S N 1.148 116.952 115.700 0.173 0.000 2.614 148 S HA 0.717 5.187 4.470 -0.000 0.000 0.288 148 S C -1.186 173.507 174.600 0.156 0.000 1.137 148 S CA -0.789 57.541 58.200 0.217 0.000 0.992 148 S CB 0.677 64.149 63.200 0.452 0.000 1.026 148 S HN 0.480 nan 8.310 nan 0.000 0.486 149 L N 4.346 125.624 121.223 0.091 0.000 2.333 149 L HA 0.604 4.944 4.340 -0.000 0.000 0.280 149 L C -0.085 176.810 176.870 0.042 0.000 1.004 149 L CA -0.742 54.137 54.840 0.065 0.000 0.820 149 L CB 1.779 43.859 42.059 0.036 0.000 1.247 149 L HN 0.479 nan 8.230 nan 0.000 0.416 150 K N 2.731 123.161 120.400 0.050 0.000 2.185 150 K HA 0.686 5.006 4.320 -0.000 0.000 0.269 150 K C -1.318 175.229 176.600 -0.088 0.000 0.987 150 K CA -0.527 55.733 56.287 -0.045 0.000 0.865 150 K CB 1.825 34.277 32.500 -0.080 0.000 1.090 150 K HN 0.382 nan 8.250 nan 0.000 0.450 151 V N 5.081 124.915 119.914 -0.134 0.000 2.604 151 V HA 0.421 4.541 4.120 -0.000 0.000 0.305 151 V C -0.878 175.155 176.094 -0.101 0.000 1.043 151 V CA -0.854 61.428 62.300 -0.031 0.000 0.888 151 V CB 1.333 33.174 31.823 0.029 0.000 0.995 151 V HN 0.620 nan 8.190 nan 0.000 0.429 152 F N 4.124 124.143 119.950 0.115 0.000 2.410 152 F HA 0.468 4.995 4.527 -0.000 0.000 0.349 152 F C 1.092 176.965 175.800 0.122 0.000 1.117 152 F CA -0.406 57.687 58.000 0.155 0.000 1.104 152 F CB 1.730 40.882 39.000 0.254 0.000 1.122 152 F HN 0.403 nan 8.300 nan 0.000 0.483 153 M N 2.520 122.274 119.600 0.258 0.000 2.371 153 M HA 0.318 4.798 4.480 -0.000 0.000 0.246 153 M C 0.443 176.813 176.300 0.116 0.000 1.103 153 M CA 0.145 55.548 55.300 0.172 0.000 1.010 153 M CB 0.284 32.970 32.600 0.144 0.000 1.457 153 M HN 0.624 nan 8.290 nan 0.000 0.486 154 A N -1.419 121.430 122.820 0.050 0.000 2.464 154 A HA 0.676 4.996 4.320 -0.000 0.000 0.268 154 A C -0.921 176.586 177.584 -0.128 0.000 1.244 154 A CA -0.519 51.413 52.037 -0.175 0.000 0.871 154 A CB 0.387 19.084 19.000 -0.505 0.000 1.400 154 A HN 0.402 nan 8.150 nan 0.000 0.455 155 Y N -1.209 119.087 120.300 -0.006 0.000 3.091 155 Y HA -0.154 4.396 4.550 -0.000 0.000 0.189 155 Y C 0.488 176.356 175.900 -0.054 0.000 1.520 155 Y CA 0.818 58.869 58.100 -0.081 0.000 1.121 155 Y CB -1.820 36.501 38.460 -0.231 0.000 1.411 155 Y HN 0.732 nan 8.280 nan 0.000 0.459 156 K N 1.563 122.016 120.400 0.088 0.000 2.524 156 K HA 0.027 4.347 4.320 -0.000 0.000 0.279 156 K C 0.934 177.562 176.600 0.047 0.000 0.993 156 K CA 1.031 57.360 56.287 0.070 0.000 1.030 156 K CB -0.053 32.483 32.500 0.059 0.000 0.891 156 K HN 0.676 nan 8.250 nan 0.000 0.488 157 N N 0.849 119.578 118.700 0.047 0.000 2.909 157 N HA -0.234 4.506 4.740 -0.000 0.000 0.242 157 N C -0.016 175.493 175.510 -0.002 0.000 0.975 157 N CA 0.559 53.624 53.050 0.026 0.000 0.921 157 N CB -0.682 37.812 38.487 0.012 0.000 1.112 157 N HN 0.294 nan 8.380 nan 0.000 0.581 158 V N -1.547 118.355 119.914 -0.020 0.000 3.449 158 V HA 0.247 4.367 4.120 -0.000 0.000 0.208 158 V C 0.434 176.568 176.094 0.066 0.000 1.269 158 V CA 0.720 62.930 62.300 -0.151 0.000 1.301 158 V CB -0.061 31.484 31.823 -0.463 0.000 1.306 158 V HN 0.098 nan 8.190 nan 0.000 0.531 159 F N 0.213 120.132 119.950 -0.052 0.000 2.767 159 F HA 0.424 4.951 4.527 -0.000 0.000 0.323 159 F C 1.010 176.861 175.800 0.084 0.000 1.091 159 F CA -1.029 56.919 58.000 -0.087 0.000 1.192 159 F CB -0.340 38.362 39.000 -0.497 0.000 1.056 159 F HN 0.164 nan 8.300 nan 0.000 0.571 160 Q N 2.053 122.020 119.800 0.279 0.000 2.274 160 Q HA 0.432 4.772 4.340 -0.000 0.000 0.280 160 Q C -0.286 175.832 176.000 0.197 0.000 1.047 160 Q CA -0.032 55.916 55.803 0.240 0.000 0.907 160 Q CB 0.848 29.681 28.738 0.158 0.000 1.171 160 Q HN 0.284 nan 8.270 nan 0.000 0.381 161 A N 4.132 127.070 122.820 0.198 0.000 2.311 161 A HA 0.532 4.852 4.320 -0.000 0.000 0.334 161 A C -0.926 176.729 177.584 0.118 0.000 1.139 161 A CA -0.607 51.518 52.037 0.148 0.000 0.830 161 A CB 0.998 20.087 19.000 0.148 0.000 1.234 161 A HN 0.954 nan 8.150 nan 0.000 0.483 162 D N -0.528 119.929 120.400 0.095 0.000 2.529 162 D HA 0.348 4.988 4.640 -0.000 0.000 0.273 162 D C -0.114 176.233 176.300 0.079 0.000 1.197 162 D CA -0.439 53.608 54.000 0.079 0.000 1.070 162 D CB 0.318 41.157 40.800 0.064 0.000 1.134 162 D HN 0.274 nan 8.370 nan 0.000 0.590 163 D N -0.870 119.569 120.400 0.066 0.000 2.144 163 D HA -0.165 4.475 4.640 -0.000 0.000 0.199 163 D C 1.516 177.877 176.300 0.101 0.000 0.984 163 D CA 1.002 55.044 54.000 0.070 0.000 0.834 163 D CB -0.116 40.702 40.800 0.029 0.000 0.955 163 D HN 0.684 nan 8.370 nan 0.000 0.465 164 E N 0.043 120.294 120.200 0.085 0.000 2.077 164 E HA -0.150 4.200 4.350 -0.000 0.000 0.193 164 E C 1.601 178.272 176.600 0.118 0.000 0.989 164 E CA 1.276 57.740 56.400 0.106 0.000 0.800 164 E CB 0.147 29.891 29.700 0.074 0.000 0.746 164 E HN 0.098 nan 8.360 nan 0.000 0.452 165 T N 1.495 116.104 114.554 0.093 0.000 2.821 165 T HA -0.094 4.255 4.350 -0.000 0.000 0.267 165 T C 1.818 176.565 174.700 0.079 0.000 1.046 165 T CA 0.695 62.843 62.100 0.079 0.000 1.139 165 T CB -0.122 68.793 68.868 0.078 0.000 0.871 165 T HN 0.160 nan 8.240 nan 0.000 0.454 166 L N -0.303 120.980 121.223 0.099 0.000 2.005 166 L HA -0.030 4.310 4.340 -0.000 0.000 0.207 166 L C 2.267 179.200 176.870 0.106 0.000 1.072 166 L CA 1.519 56.416 54.840 0.094 0.000 0.744 166 L CB -0.331 41.790 42.059 0.103 0.000 0.895 166 L HN 0.221 nan 8.230 nan 0.000 0.433 167 F N 0.969 120.915 119.950 -0.006 0.000 2.102 167 F HA -0.249 4.278 4.527 -0.000 0.000 0.298 167 F C 2.498 178.288 175.800 -0.018 0.000 1.105 167 F CA 1.704 59.692 58.000 -0.020 0.000 1.239 167 F CB -0.208 38.780 39.000 -0.021 0.000 0.991 167 F HN -0.077 nan 8.300 nan 0.000 0.474 168 K N -0.803 119.592 120.400 -0.009 0.000 2.097 168 K HA -0.150 4.170 4.320 -0.000 0.000 0.206 168 K C 1.967 178.492 176.600 -0.125 0.000 1.049 168 K CA 1.879 58.111 56.287 -0.093 0.000 0.933 168 K CB -0.581 31.924 32.500 0.007 0.000 0.717 168 K HN 0.251 nan 8.250 nan 0.000 0.442 169 T N 1.934 116.445 114.554 -0.072 0.000 2.746 169 T HA -0.095 4.255 4.350 -0.000 0.000 0.267 169 T C 1.870 176.503 174.700 -0.111 0.000 1.039 169 T CA 1.015 63.078 62.100 -0.062 0.000 1.142 169 T CB -0.143 68.713 68.868 -0.019 0.000 0.866 169 T HN 0.101 nan 8.240 nan 0.000 0.444 170 L N 0.547 121.673 121.223 -0.162 0.000 2.083 170 L HA -0.070 4.270 4.340 -0.000 0.000 0.209 170 L C 2.611 179.322 176.870 -0.266 0.000 1.083 170 L CA 0.778 55.496 54.840 -0.204 0.000 0.752 170 L CB -0.512 41.418 42.059 -0.216 0.000 0.899 170 L HN 0.137 nan 8.230 nan 0.000 0.433 171 V N -0.350 119.337 119.914 -0.377 0.000 2.307 171 V HA -0.265 3.855 4.120 -0.000 0.000 0.245 171 V C 2.534 178.520 176.094 -0.181 0.000 1.045 171 V CA 1.682 63.783 62.300 -0.331 0.000 1.024 171 V CB -0.359 31.225 31.823 -0.398 0.000 0.651 171 V HN 0.323 nan 8.190 nan 0.000 0.449 172 K N 0.779 121.094 120.400 -0.142 0.000 2.097 172 K HA -0.019 4.301 4.320 -0.000 0.000 0.205 172 K C 2.064 178.625 176.600 -0.065 0.000 1.050 172 K CA 1.486 57.724 56.287 -0.082 0.000 0.938 172 K CB -0.690 31.776 32.500 -0.057 0.000 0.718 172 K HN 0.401 nan 8.250 nan 0.000 0.442 173 A N 0.937 123.710 122.820 -0.079 0.000 1.933 173 A HA -0.179 4.141 4.320 -0.000 0.000 0.218 173 A C 2.086 179.634 177.584 -0.061 0.000 1.175 173 A CA 1.664 53.664 52.037 -0.062 0.000 0.628 173 A CB -0.480 18.473 19.000 -0.079 0.000 0.814 173 A HN 0.255 nan 8.150 nan 0.000 0.444 174 K N -0.013 120.336 120.400 -0.085 0.000 2.217 174 K HA -0.111 4.209 4.320 -0.000 0.000 0.202 174 K C 1.659 178.239 176.600 -0.033 0.000 1.051 174 K CA 1.418 57.665 56.287 -0.066 0.000 0.952 174 K CB -0.114 32.329 32.500 -0.095 0.000 0.736 174 K HN 0.680 nan 8.250 nan 0.000 0.453 175 E N 0.382 120.558 120.200 -0.039 0.000 2.072 175 E HA -0.083 4.267 4.350 -0.000 0.000 0.190 175 E C 1.785 178.384 176.600 -0.003 0.000 0.982 175 E CA 0.844 57.231 56.400 -0.021 0.000 0.803 175 E CB 0.084 29.767 29.700 -0.027 0.000 0.755 175 E HN 0.258 nan 8.360 nan 0.000 0.453 176 L N -0.408 120.815 121.223 -0.001 0.000 2.592 176 L HA 0.251 4.591 4.340 -0.000 0.000 0.227 176 L C 1.049 177.938 176.870 0.033 0.000 1.127 176 L CA 0.233 55.082 54.840 0.014 0.000 0.884 176 L CB 0.016 42.083 42.059 0.012 0.000 1.065 176 L HN 0.230 nan 8.230 nan 0.000 0.457 177 G N 1.105 109.930 108.800 0.041 0.000 2.212 177 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.255 177 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.255 177 G C 0.141 175.103 174.900 0.103 0.000 1.062 177 G CA 0.146 45.299 45.100 0.088 0.000 0.815 177 G HN 0.516 nan 8.290 nan 0.000 0.497 178 A N -0.557 122.291 122.820 0.047 0.000 2.311 178 A HA 0.886 5.206 4.320 -0.000 0.000 0.334 178 A C 0.133 177.698 177.584 -0.032 0.000 1.139 178 A CA -0.676 51.387 52.037 0.043 0.000 0.830 178 A CB 1.410 20.427 19.000 0.029 0.000 1.234 178 A HN 0.996 nan 8.150 nan 0.000 0.483 179 L N 1.853 123.066 121.223 -0.017 0.000 2.295 179 L HA 0.518 4.858 4.340 -0.000 0.000 0.285 179 L C -1.075 175.773 176.870 -0.037 0.000 1.035 179 L CA -0.700 54.070 54.840 -0.117 0.000 0.806 179 L CB 1.596 43.597 42.059 -0.096 0.000 1.214 179 L HN 0.471 nan 8.230 nan 0.000 0.426 180 V N 4.736 124.617 119.914 -0.054 0.000 2.394 180 V HA 0.327 4.447 4.120 -0.000 0.000 0.282 180 V C -0.236 175.887 176.094 0.047 0.000 1.031 180 V CA -0.546 61.749 62.300 -0.008 0.000 0.881 180 V CB 1.604 33.407 31.823 -0.032 0.000 0.982 180 V HN 0.763 nan 8.190 nan 0.000 0.451 181 Q N 3.080 122.911 119.800 0.052 0.000 2.274 181 Q HA 0.766 5.106 4.340 -0.000 0.000 0.260 181 Q C -0.863 175.131 176.000 -0.009 0.000 0.974 181 Q CA -0.706 55.153 55.803 0.093 0.000 0.876 181 Q CB 2.619 31.399 28.738 0.070 0.000 1.297 181 Q HN 0.740 nan 8.270 nan 0.000 0.446 182 V N -1.558 118.348 119.914 -0.014 0.000 2.709 182 V HA 0.441 4.561 4.120 -0.000 0.000 0.308 182 V C -1.122 174.933 176.094 -0.065 0.000 1.062 182 V CA -1.019 61.249 62.300 -0.053 0.000 0.901 182 V CB 1.645 33.472 31.823 0.006 0.000 1.003 182 V HN 0.922 nan 8.190 nan 0.000 0.425 183 H N 4.012 122.967 119.070 -0.191 0.000 2.761 183 H HA 0.739 5.294 4.556 -0.000 0.000 0.284 183 H C 0.226 175.594 175.328 0.066 0.000 1.105 183 H CA 0.064 56.092 56.048 -0.033 0.000 1.352 183 H CB 1.083 30.870 29.762 0.042 0.000 1.423 183 H HN 1.187 nan 8.280 nan 0.000 0.464 184 A N 5.670 128.561 122.820 0.118 0.000 2.621 184 A HA 0.296 4.616 4.320 -0.000 0.000 0.329 184 A C -0.435 177.220 177.584 0.119 0.000 1.458 184 A CA -0.462 51.648 52.037 0.122 0.000 1.052 184 A CB -0.012 19.015 19.000 0.044 0.000 1.142 184 A HN 0.906 nan 8.150 nan 0.000 0.523 185 E N 1.456 121.775 120.200 0.198 0.000 2.321 185 E HA 0.124 4.473 4.350 -0.000 0.000 0.278 185 E C -1.151 175.502 176.600 0.089 0.000 0.902 185 E CA -0.865 55.608 56.400 0.123 0.000 0.758 185 E CB 1.610 31.405 29.700 0.158 0.000 1.213 185 E HN 0.622 nan 8.360 nan 0.000 0.426 186 N N 1.929 120.662 118.700 0.056 0.000 2.406 186 N HA 0.016 4.756 4.740 -0.000 0.000 0.265 186 N C 0.821 176.354 175.510 0.037 0.000 1.203 186 N CA 0.289 53.368 53.050 0.047 0.000 0.945 186 N CB 1.178 39.688 38.487 0.039 0.000 1.165 186 N HN 0.779 nan 8.380 nan 0.000 0.485 187 G N 3.027 111.847 108.800 0.034 0.000 2.432 187 G HA2 -0.229 3.730 3.960 -0.000 0.000 0.219 187 G HA3 -0.229 3.730 3.960 -0.000 0.000 0.219 187 G C 1.008 175.936 174.900 0.047 0.000 1.135 187 G CA 0.474 45.587 45.100 0.021 0.000 0.767 187 G HN 0.599 nan 8.290 nan 0.000 0.550 188 D N 0.398 120.830 120.400 0.054 0.000 2.149 188 D HA -0.092 4.548 4.640 -0.000 0.000 0.201 188 D C 2.960 179.314 176.300 0.089 0.000 0.972 188 D CA 1.482 55.523 54.000 0.067 0.000 0.835 188 D CB -0.239 40.592 40.800 0.051 0.000 0.966 188 D HN 0.375 nan 8.370 nan 0.000 0.476 189 V N -0.298 119.659 119.914 0.071 0.000 2.358 189 V HA -0.164 3.956 4.120 -0.000 0.000 0.246 189 V C 2.570 178.745 176.094 0.135 0.000 1.047 189 V CA 0.963 63.316 62.300 0.089 0.000 1.035 189 V CB -1.079 30.776 31.823 0.053 0.000 0.658 189 V HN 0.076 nan 8.190 nan 0.000 0.452 190 L N 0.676 121.956 121.223 0.094 0.000 2.046 190 L HA -0.171 4.169 4.340 -0.000 0.000 0.208 190 L C 2.602 179.540 176.870 0.114 0.000 1.077 190 L CA 2.496 57.391 54.840 0.091 0.000 0.747 190 L CB -1.031 41.055 42.059 0.045 0.000 0.896 190 L HN 0.436 nan 8.230 nan 0.000 0.432 191 D N -0.503 119.961 120.400 0.106 0.000 2.123 191 D HA -0.290 4.350 4.640 -0.000 0.000 0.196 191 D C 2.124 178.487 176.300 0.106 0.000 0.992 191 D CA 1.379 55.437 54.000 0.096 0.000 0.833 191 D CB -0.102 40.750 40.800 0.087 0.000 0.954 191 D HN 0.311 nan 8.370 nan 0.000 0.455 192 Y N 0.545 120.868 120.300 0.040 0.000 2.163 192 Y HA -0.068 4.482 4.550 -0.000 0.000 0.288 192 Y C 1.961 177.892 175.900 0.051 0.000 1.136 192 Y CA 1.408 59.530 58.100 0.038 0.000 1.147 192 Y CB -0.164 38.314 38.460 0.031 0.000 0.987 192 Y HN 0.012 nan 8.280 nan 0.000 0.509 193 L N -0.349 121.002 121.223 0.213 0.000 2.046 193 L HA -0.209 4.131 4.340 -0.000 0.000 0.208 193 L C 2.598 179.527 176.870 0.098 0.000 1.077 193 L CA 1.890 56.822 54.840 0.154 0.000 0.747 193 L CB -1.316 40.854 42.059 0.185 0.000 0.896 193 L HN 0.390 nan 8.230 nan 0.000 0.432 194 T N -2.598 112.034 114.554 0.130 0.000 2.777 194 T HA -0.189 4.160 4.350 -0.000 0.000 0.266 194 T C 1.844 176.580 174.700 0.060 0.000 1.040 194 T CA 0.975 63.202 62.100 0.210 0.000 1.141 194 T CB -0.195 68.805 68.868 0.220 0.000 0.868 194 T HN 0.258 nan 8.240 nan 0.000 0.444 195 K N 1.113 121.482 120.400 -0.051 0.000 2.097 195 K HA -0.019 4.301 4.320 -0.000 0.000 0.205 195 K C 2.519 179.025 176.600 -0.156 0.000 1.050 195 K CA 1.222 57.435 56.287 -0.123 0.000 0.938 195 K CB -0.185 32.219 32.500 -0.160 0.000 0.718 195 K HN 0.441 nan 8.250 nan 0.000 0.442 196 K N 1.270 121.535 120.400 -0.225 0.000 2.009 196 K HA -0.189 4.131 4.320 -0.000 0.000 0.210 196 K C 2.174 178.724 176.600 -0.082 0.000 1.049 196 K CA 1.549 57.717 56.287 -0.199 0.000 0.929 196 K CB -0.205 32.168 32.500 -0.212 0.000 0.714 196 K HN 0.103 nan 8.250 nan 0.000 0.440 197 A N 1.542 124.355 122.820 -0.012 0.000 1.908 197 A HA -0.155 4.165 4.320 -0.000 0.000 0.218 197 A C 2.191 179.748 177.584 -0.046 0.000 1.181 197 A CA 1.613 53.649 52.037 -0.001 0.000 0.627 197 A CB -0.722 18.369 19.000 0.151 0.000 0.818 197 A HN 0.395 nan 8.150 nan 0.000 0.445 198 L N -1.076 120.121 121.223 -0.042 0.000 2.201 198 L HA -0.166 4.174 4.340 -0.000 0.000 0.212 198 L C 2.954 179.771 176.870 -0.088 0.000 1.105 198 L CA 0.831 55.614 54.840 -0.094 0.000 0.775 198 L CB -0.457 41.513 42.059 -0.147 0.000 0.913 198 L HN 0.477 nan 8.230 nan 0.000 0.440 199 A N -0.209 122.560 122.820 -0.085 0.000 1.970 199 A HA -0.122 4.198 4.320 -0.000 0.000 0.216 199 A C 1.954 179.500 177.584 -0.063 0.000 1.170 199 A CA 0.939 52.932 52.037 -0.075 0.000 0.645 199 A CB -0.178 18.773 19.000 -0.082 0.000 0.816 199 A HN 0.441 nan 8.150 nan 0.000 0.447 200 E N -1.241 118.918 120.200 -0.069 0.000 2.479 200 E HA 0.268 4.618 4.350 -0.000 0.000 0.193 200 E C 0.970 177.526 176.600 -0.073 0.000 1.049 200 E CA 0.245 56.607 56.400 -0.062 0.000 0.870 200 E CB 0.008 29.672 29.700 -0.061 0.000 0.944 200 E HN 0.699 nan 8.360 nan 0.000 0.492 201 G N 2.254 111.005 108.800 -0.081 0.000 2.141 201 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.242 201 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.242 201 G C -0.139 174.696 174.900 -0.108 0.000 0.982 201 G CA -0.365 44.691 45.100 -0.073 0.000 0.662 201 G HN 0.171 nan 8.290 nan 0.000 0.527 202 N N 1.270 119.839 118.700 -0.218 0.000 2.482 202 N HA 0.328 5.068 4.740 -0.000 0.000 0.242 202 N C 1.319 176.742 175.510 -0.146 0.000 1.100 202 N CA 0.795 53.549 53.050 -0.492 0.000 0.946 202 N CB 1.156 38.891 38.487 -1.253 0.000 1.227 202 N HN 0.551 nan 8.380 nan 0.000 0.508 203 T N -3.093 111.503 114.554 0.070 0.000 3.010 203 T HA 0.104 4.454 4.350 -0.000 0.000 0.257 203 T C 0.390 175.343 174.700 0.422 0.000 1.020 203 T CA -0.302 61.943 62.100 0.242 0.000 0.938 203 T CB 0.346 69.270 68.868 0.092 0.000 1.049 203 T HN 0.030 nan 8.240 nan 0.000 0.522 204 D N 3.300 123.959 120.400 0.432 0.000 2.423 204 D HA 0.184 4.824 4.640 -0.000 0.000 0.238 204 D C -1.468 175.010 176.300 0.297 0.000 1.142 204 D CA -1.915 52.300 54.000 0.359 0.000 0.884 204 D CB 1.196 42.173 40.800 0.296 0.000 1.199 204 D HN 0.043 nan 8.370 nan 0.000 0.438 205 P HA -0.175 nan 4.420 nan 0.000 0.217 205 P C 1.531 178.710 177.300 -0.202 0.000 1.151 205 P CA 0.587 63.675 63.100 -0.019 0.000 0.849 205 P CB 0.155 31.745 31.700 -0.185 0.000 0.787 206 I N -1.622 118.765 120.570 -0.304 0.000 2.248 206 I HA -0.267 3.903 4.170 -0.000 0.000 0.248 206 I C 1.688 177.255 176.117 -0.917 0.000 1.107 206 I CA 1.564 62.497 61.300 -0.611 0.000 1.373 206 I CB -0.944 36.634 38.000 -0.702 0.000 1.055 206 I HN -0.054 nan 8.210 nan 0.000 0.418 207 Y N -0.599 119.333 120.300 -0.613 0.000 2.569 207 Y HA -0.234 4.316 4.550 -0.000 0.000 0.293 207 Y C 2.505 177.748 175.900 -1.095 0.000 1.144 207 Y CA 1.635 59.309 58.100 -0.710 0.000 1.321 207 Y CB -1.008 37.191 38.460 -0.435 0.000 0.982 207 Y HN 0.454 nan 8.280 nan 0.000 0.558 208 H N -0.362 118.072 119.070 -1.060 0.000 2.353 208 H HA -0.134 4.422 4.556 -0.000 0.000 0.300 208 H C 2.178 177.275 175.328 -0.384 0.000 1.090 208 H CA 1.597 57.189 56.048 -0.761 0.000 1.327 208 H CB -0.026 29.530 29.762 -0.343 0.000 1.383 208 H HN 0.209 nan 8.280 nan 0.000 0.508 209 A N -0.149 122.421 122.820 -0.416 0.000 1.897 209 A HA -0.105 4.215 4.320 -0.000 0.000 0.215 209 A C 1.879 179.392 177.584 -0.119 0.000 1.181 209 A CA 1.169 53.035 52.037 -0.285 0.000 0.620 209 A CB -0.873 17.966 19.000 -0.269 0.000 0.821 209 A HN 0.538 nan 8.150 nan 0.000 0.443 210 Y N 1.476 121.653 120.300 -0.204 0.000 2.352 210 Y HA -0.113 4.437 4.550 -0.000 0.000 0.292 210 Y C 2.785 178.652 175.900 -0.055 0.000 1.136 210 Y CA 1.159 59.194 58.100 -0.108 0.000 1.227 210 Y CB -1.515 36.898 38.460 -0.077 0.000 0.991 210 Y HN 0.492 nan 8.280 nan 0.000 0.545 211 T N -0.816 113.766 114.554 0.046 0.000 3.148 211 T HA 0.041 4.391 4.350 -0.000 0.000 0.253 211 T C 0.641 175.356 174.700 0.024 0.000 1.134 211 T CA -0.168 61.969 62.100 0.062 0.000 1.051 211 T CB -0.328 68.595 68.868 0.091 0.000 0.959 211 T HN 0.371 nan 8.240 nan 0.000 0.525 212 R N 0.680 121.162 120.500 -0.029 0.000 2.687 212 R HA 0.359 4.699 4.340 -0.000 0.000 0.264 212 R C -3.280 173.015 176.300 -0.009 0.000 1.715 212 R CA -1.768 54.316 56.100 -0.027 0.000 1.633 212 R CB 0.280 30.532 30.300 -0.080 0.000 1.353 212 R HN 0.165 nan 8.270 nan 0.000 0.653 213 P HA 0.136 nan 4.420 nan 0.000 0.270 213 P C -2.017 175.291 177.300 0.014 0.000 1.223 213 P CA -0.982 62.135 63.100 0.028 0.000 0.785 213 P CB 0.787 32.511 31.700 0.039 0.000 0.923 214 P HA -0.196 nan 4.420 nan 0.000 0.216 214 P C 1.489 178.793 177.300 0.007 0.000 1.154 214 P CA 1.583 64.680 63.100 -0.004 0.000 0.865 214 P CB -0.048 31.657 31.700 0.010 0.000 0.789 215 E N -0.796 119.419 120.200 0.025 0.000 2.209 215 E HA -0.140 4.210 4.350 -0.000 0.000 0.196 215 E C 1.983 178.595 176.600 0.019 0.000 0.993 215 E CA 1.267 57.682 56.400 0.025 0.000 0.819 215 E CB -0.691 29.026 29.700 0.030 0.000 0.745 215 E HN 0.185 nan 8.360 nan 0.000 0.477 216 A N 0.769 123.600 122.820 0.018 0.000 1.929 216 A HA -0.172 4.148 4.320 -0.000 0.000 0.216 216 A C 2.117 179.712 177.584 0.018 0.000 1.176 216 A CA 1.510 53.560 52.037 0.021 0.000 0.628 216 A CB -0.291 18.723 19.000 0.024 0.000 0.816 216 A HN 0.258 nan 8.150 nan 0.000 0.444 217 E N -0.516 119.686 120.200 0.003 0.000 2.112 217 E HA -0.045 4.305 4.350 -0.000 0.000 0.190 217 E C 2.064 178.661 176.600 -0.004 0.000 0.979 217 E CA 0.775 57.170 56.400 -0.008 0.000 0.814 217 E CB -0.359 29.312 29.700 -0.048 0.000 0.762 217 E HN 0.489 nan 8.360 nan 0.000 0.460 218 G N 1.524 110.323 108.800 -0.002 0.000 2.446 218 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.217 218 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.217 218 G C 1.505 176.414 174.900 0.015 0.000 1.168 218 G CA 0.844 45.947 45.100 0.006 0.000 0.771 218 G HN 0.239 nan 8.290 nan 0.000 0.551 219 E N 1.288 121.500 120.200 0.019 0.000 2.023 219 E HA -0.140 4.210 4.350 -0.000 0.000 0.196 219 E C 2.900 179.516 176.600 0.027 0.000 1.003 219 E CA 1.442 57.855 56.400 0.023 0.000 0.809 219 E CB -0.643 29.070 29.700 0.022 0.000 0.755 219 E HN 0.238 nan 8.360 nan 0.000 0.449 220 A N 0.357 123.197 122.820 0.032 0.000 1.917 220 A HA -0.200 4.120 4.320 -0.000 0.000 0.219 220 A C 2.508 180.114 177.584 0.037 0.000 1.182 220 A CA 2.551 54.614 52.037 0.043 0.000 0.633 220 A CB -1.130 17.906 19.000 0.061 0.000 0.819 220 A HN 0.421 nan 8.150 nan 0.000 0.448 221 T N -0.328 114.241 114.554 0.026 0.000 2.708 221 T HA -0.053 4.297 4.350 -0.000 0.000 0.266 221 T C 2.003 176.720 174.700 0.028 0.000 1.037 221 T CA 1.575 63.685 62.100 0.017 0.000 1.146 221 T CB -0.763 68.104 68.868 -0.001 0.000 0.865 221 T HN 0.610 nan 8.240 nan 0.000 0.435 222 G N 1.254 110.073 108.800 0.031 0.000 2.440 222 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.218 222 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.218 222 G C 1.568 176.498 174.900 0.049 0.000 1.154 222 G CA 1.061 46.188 45.100 0.045 0.000 0.767 222 G HN 0.470 nan 8.290 nan 0.000 0.552 223 R N 0.591 121.113 120.500 0.037 0.000 2.075 223 R HA 0.101 4.441 4.340 -0.000 0.000 0.232 223 R C 2.792 179.113 176.300 0.035 0.000 1.126 223 R CA 1.528 57.647 56.100 0.031 0.000 0.963 223 R CB -0.432 29.885 30.300 0.028 0.000 0.858 223 R HN 0.259 nan 8.270 nan 0.000 0.435 224 A N 0.868 123.712 122.820 0.039 0.000 1.933 224 A HA -0.111 4.209 4.320 -0.000 0.000 0.218 224 A C 2.135 179.736 177.584 0.027 0.000 1.175 224 A CA 1.355 53.414 52.037 0.037 0.000 0.628 224 A CB -0.430 18.589 19.000 0.033 0.000 0.814 224 A HN 0.393 nan 8.150 nan 0.000 0.444 225 I N -0.526 120.068 120.570 0.039 0.000 2.286 225 I HA -0.220 3.950 4.170 -0.000 0.000 0.245 225 I C 2.960 179.082 176.117 0.010 0.000 1.104 225 I CA 0.887 62.222 61.300 0.058 0.000 1.397 225 I CB -0.269 37.812 38.000 0.136 0.000 1.072 225 I HN 0.353 nan 8.210 nan 0.000 0.417 226 A N 0.680 123.516 122.820 0.027 0.000 1.877 226 A HA -0.198 4.122 4.320 -0.000 0.000 0.216 226 A C 2.147 179.681 177.584 -0.084 0.000 1.186 226 A CA 1.530 53.549 52.037 -0.030 0.000 0.620 226 A CB -0.807 18.199 19.000 0.010 0.000 0.822 226 A HN 0.290 nan 8.150 nan 0.000 0.443 227 L N -0.240 120.978 121.223 -0.008 0.000 2.083 227 L HA -0.125 4.214 4.340 -0.000 0.000 0.209 227 L C 2.713 179.650 176.870 0.111 0.000 1.083 227 L CA 2.308 57.210 54.840 0.104 0.000 0.752 227 L CB -1.052 41.108 42.059 0.170 0.000 0.899 227 L HN 0.382 nan 8.230 nan 0.000 0.433 228 T N -0.800 113.737 114.554 -0.028 0.000 2.746 228 T HA -0.182 4.167 4.350 -0.000 0.000 0.267 228 T C 1.951 176.501 174.700 -0.249 0.000 1.039 228 T CA 1.322 63.354 62.100 -0.113 0.000 1.142 228 T CB -0.317 68.484 68.868 -0.110 0.000 0.866 228 T HN 0.434 nan 8.240 nan 0.000 0.444 229 A N 1.098 123.640 122.820 -0.464 0.000 1.898 229 A HA 0.053 4.373 4.320 -0.000 0.000 0.216 229 A C 2.257 179.587 177.584 -0.424 0.000 1.181 229 A CA 1.112 52.645 52.037 -0.840 0.000 0.620 229 A CB -0.829 17.153 19.000 -1.698 0.000 0.819 229 A HN 0.477 nan 8.150 nan 0.000 0.442 230 L N -1.093 120.015 121.223 -0.192 0.000 2.265 230 L HA -0.152 4.188 4.340 -0.000 0.000 0.215 230 L C 2.700 179.662 176.870 0.153 0.000 1.117 230 L CA 0.920 55.762 54.840 0.002 0.000 0.782 230 L CB -0.233 41.843 42.059 0.030 0.000 0.914 230 L HN 0.459 nan 8.230 nan 0.000 0.441 231 A N -0.956 121.919 122.820 0.092 0.000 2.220 231 A HA 0.334 4.654 4.320 -0.000 0.000 0.211 231 A C 1.652 179.154 177.584 -0.137 0.000 1.176 231 A CA 0.589 52.565 52.037 -0.102 0.000 0.834 231 A CB -0.065 18.708 19.000 -0.379 0.000 0.868 231 A HN 0.413 nan 8.150 nan 0.000 0.488 232 G N -0.129 108.578 108.800 -0.155 0.000 2.246 232 G HA2 -0.217 3.742 3.960 -0.000 0.000 0.273 232 G HA3 -0.217 3.742 3.960 -0.000 0.000 0.273 232 G C 0.385 175.207 174.900 -0.129 0.000 1.055 232 G CA 0.770 45.783 45.100 -0.146 0.000 0.851 232 G HN 0.759 nan 8.290 nan 0.000 0.500 233 S N -0.698 114.905 115.700 -0.162 0.000 2.561 233 S HA 0.800 5.270 4.470 -0.000 0.000 0.282 233 S C 0.036 174.532 174.600 -0.173 0.000 1.123 233 S CA 0.315 58.420 58.200 -0.158 0.000 1.011 233 S CB 0.792 63.886 63.200 -0.176 0.000 1.244 233 S HN 0.786 nan 8.310 nan 0.000 0.503 234 Q N 1.159 120.819 119.800 -0.233 0.000 2.347 234 Q HA 0.648 4.988 4.340 -0.000 0.000 0.271 234 Q C -1.718 174.165 176.000 -0.195 0.000 1.064 234 Q CA -0.805 54.824 55.803 -0.290 0.000 0.800 234 Q CB 1.711 30.016 28.738 -0.722 0.000 1.304 234 Q HN 0.459 nan 8.270 nan 0.000 0.438 235 L N 2.412 123.574 121.223 -0.102 0.000 2.370 235 L HA 0.626 4.966 4.340 -0.000 0.000 0.266 235 L C -1.980 174.972 176.870 0.138 0.000 1.002 235 L CA -0.780 54.057 54.840 -0.006 0.000 0.818 235 L CB 2.180 44.224 42.059 -0.026 0.000 1.325 235 L HN 0.696 nan 8.230 nan 0.000 0.418 236 Y N 4.358 124.673 120.300 0.025 0.000 2.327 236 Y HA 0.627 5.177 4.550 -0.000 0.000 0.325 236 Y C -1.307 174.614 175.900 0.034 0.000 0.999 236 Y CA -0.861 57.289 58.100 0.083 0.000 1.195 236 Y CB 1.519 40.031 38.460 0.085 0.000 1.132 236 Y HN 0.343 nan 8.280 nan 0.000 0.455 237 V N 7.785 127.597 119.914 -0.170 0.000 2.385 237 V HA 0.281 4.401 4.120 -0.000 0.000 0.269 237 V C 0.201 176.149 176.094 -0.243 0.000 1.043 237 V CA -0.684 61.530 62.300 -0.144 0.000 0.906 237 V CB 0.591 32.343 31.823 -0.119 0.000 0.995 237 V HN 0.663 nan 8.190 nan 0.000 0.467 238 V N 3.186 123.007 119.914 -0.156 0.000 2.881 238 V HA 0.381 4.501 4.120 -0.000 0.000 0.303 238 V C 0.612 176.510 176.094 -0.326 0.000 1.070 238 V CA -0.503 61.687 62.300 -0.184 0.000 1.074 238 V CB 0.132 31.784 31.823 -0.284 0.000 1.012 238 V HN 1.299 nan 8.190 nan 0.000 0.482 239 H N 0.678 119.847 119.070 0.166 0.000 2.099 239 H HA -0.119 4.437 4.556 -0.000 0.000 0.310 239 H C -0.511 174.704 175.328 -0.190 0.000 0.858 239 H CA 0.368 56.443 56.048 0.045 0.000 1.024 239 H CB -2.573 27.274 29.762 0.142 0.000 1.578 239 H HN 0.685 nan 8.280 nan 0.000 0.302 240 V N 2.188 122.074 119.914 -0.047 0.000 2.508 240 V HA 0.218 4.338 4.120 -0.000 0.000 0.281 240 V C 1.389 177.291 176.094 -0.321 0.000 1.041 240 V CA 0.582 62.794 62.300 -0.148 0.000 1.016 240 V CB 1.414 33.166 31.823 -0.119 0.000 0.984 240 V HN 0.961 nan 8.190 nan 0.000 0.478 241 S N 2.081 117.519 115.700 -0.435 0.000 2.632 241 S HA 0.166 4.636 4.470 -0.000 0.000 0.237 241 S C 0.371 174.778 174.600 -0.320 0.000 1.037 241 S CA 0.157 58.002 58.200 -0.593 0.000 1.009 241 S CB 0.211 62.807 63.200 -1.007 0.000 0.974 241 S HN 0.924 nan 8.310 nan 0.000 0.544 242 C N -0.983 118.170 119.300 -0.245 0.000 3.236 242 C HA 0.953 5.413 4.460 -0.000 0.000 0.312 242 C C 1.795 176.685 174.990 -0.168 0.000 1.374 242 C CA -0.341 58.537 59.018 -0.233 0.000 1.455 242 C CB 0.944 28.562 27.740 -0.205 0.000 1.834 242 C HN 0.295 nan 8.230 nan 0.000 0.460 243 A N 0.793 123.501 122.820 -0.186 0.000 1.940 243 A HA -0.088 4.232 4.320 -0.000 0.000 0.219 243 A C 2.377 179.974 177.584 0.021 0.000 1.176 243 A CA 2.617 54.636 52.037 -0.031 0.000 0.631 243 A CB -1.138 17.939 19.000 0.129 0.000 0.814 243 A HN 1.346 nan 8.150 nan 0.000 0.446 244 S N -0.523 115.187 115.700 0.016 0.000 2.368 244 S HA -0.060 4.410 4.470 -0.000 0.000 0.225 244 S C 2.150 176.750 174.600 0.000 0.000 1.030 244 S CA 1.671 59.887 58.200 0.027 0.000 0.999 244 S CB -0.439 62.778 63.200 0.027 0.000 0.844 244 S HN 0.816 nan 8.310 nan 0.000 0.459 245 A N 0.667 123.469 122.820 -0.030 0.000 1.872 245 A HA 0.064 4.384 4.320 -0.000 0.000 0.214 245 A C 2.336 179.900 177.584 -0.034 0.000 1.187 245 A CA 1.518 53.533 52.037 -0.037 0.000 0.614 245 A CB -1.033 17.928 19.000 -0.065 0.000 0.826 245 A HN 0.427 nan 8.150 nan 0.000 0.442 246 V N 1.596 121.486 119.914 -0.040 0.000 2.287 246 V HA -0.379 3.741 4.120 -0.000 0.000 0.248 246 V C 2.849 178.934 176.094 -0.015 0.000 1.053 246 V CA 2.430 64.712 62.300 -0.031 0.000 1.027 246 V CB -1.136 30.671 31.823 -0.027 0.000 0.646 246 V HN 0.902 nan 8.190 nan 0.000 0.447 247 Q N -0.192 119.609 119.800 0.001 0.000 2.226 247 Q HA -0.235 4.105 4.340 -0.000 0.000 0.204 247 Q C 2.191 178.187 176.000 -0.007 0.000 0.975 247 Q CA 1.540 57.346 55.803 0.004 0.000 0.866 247 Q CB -0.364 28.388 28.738 0.023 0.000 0.915 247 Q HN 0.426 nan 8.270 nan 0.000 0.440 248 R N 1.277 121.775 120.500 -0.004 0.000 2.073 248 R HA 0.012 4.352 4.340 -0.000 0.000 0.229 248 R C 2.432 178.728 176.300 -0.006 0.000 1.120 248 R CA 1.564 57.665 56.100 0.002 0.000 0.967 248 R CB -0.385 29.922 30.300 0.012 0.000 0.862 248 R HN 0.639 nan 8.270 nan 0.000 0.436 249 I N -2.563 117.996 120.570 -0.018 0.000 2.617 249 I HA 0.056 4.226 4.170 -0.000 0.000 0.256 249 I C 1.928 178.015 176.117 -0.050 0.000 1.167 249 I CA 1.350 62.632 61.300 -0.031 0.000 1.469 249 I CB -0.320 37.653 38.000 -0.046 0.000 1.098 249 I HN 0.022 nan 8.210 nan 0.000 0.436 250 A N 2.828 125.621 122.820 -0.044 0.000 1.858 250 A HA -0.248 4.072 4.320 -0.000 0.000 0.216 250 A C 2.349 179.881 177.584 -0.086 0.000 1.190 250 A CA 2.023 54.029 52.037 -0.052 0.000 0.617 250 A CB -0.903 18.078 19.000 -0.031 0.000 0.827 250 A HN 0.764 nan 8.150 nan 0.000 0.443 251 E N -0.175 119.972 120.200 -0.089 0.000 2.204 251 E HA 0.038 4.388 4.350 -0.000 0.000 0.194 251 E C 1.834 178.279 176.600 -0.257 0.000 0.989 251 E CA 0.972 57.288 56.400 -0.140 0.000 0.824 251 E CB -0.328 29.310 29.700 -0.104 0.000 0.756 251 E HN 0.477 nan 8.360 nan 0.000 0.477 252 A N 1.682 124.374 122.820 -0.214 0.000 1.970 252 A HA -0.020 4.300 4.320 -0.000 0.000 0.216 252 A C 2.200 179.573 177.584 -0.351 0.000 1.170 252 A CA 0.850 52.693 52.037 -0.324 0.000 0.645 252 A CB -0.260 18.785 19.000 0.076 0.000 0.816 252 A HN 0.123 nan 8.150 nan 0.000 0.447 253 R N -0.218 120.163 120.500 -0.199 0.000 2.148 253 R HA -0.049 4.291 4.340 -0.000 0.000 0.223 253 R C 1.809 177.995 176.300 -0.189 0.000 1.088 253 R CA 1.147 57.150 56.100 -0.162 0.000 0.985 253 R CB -0.203 30.035 30.300 -0.103 0.000 0.880 253 R HN 0.631 nan 8.270 nan 0.000 0.451 254 E N 0.919 120.988 120.200 -0.218 0.000 2.153 254 E HA -0.163 4.187 4.350 -0.000 0.000 0.194 254 E C 1.292 177.738 176.600 -0.257 0.000 0.988 254 E CA 1.036 57.319 56.400 -0.195 0.000 0.811 254 E CB 0.141 29.735 29.700 -0.177 0.000 0.746 254 E HN 0.303 nan 8.360 nan 0.000 0.466 255 K N -0.705 119.424 120.400 -0.452 0.000 2.444 255 K HA 0.074 4.393 4.320 -0.000 0.000 0.193 255 K C 0.990 177.350 176.600 -0.401 0.000 1.024 255 K CA 0.485 56.437 56.287 -0.559 0.000 1.077 255 K CB 0.705 32.517 32.500 -1.147 0.000 0.833 255 K HN 0.192 nan 8.250 nan 0.000 0.517 256 G N 1.169 109.813 108.800 -0.260 0.000 2.143 256 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.249 256 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.249 256 G C -0.349 174.621 174.900 0.117 0.000 0.981 256 G CA -0.387 44.682 45.100 -0.051 0.000 0.665 256 G HN 0.120 nan 8.290 nan 0.000 0.528 257 W N 0.767 122.032 121.300 -0.060 0.000 2.150 257 W HA 0.427 5.087 4.660 -0.000 0.000 0.341 257 W C 0.728 177.157 176.519 -0.150 0.000 1.276 257 W CA -1.220 56.077 57.345 -0.080 0.000 1.238 257 W CB -0.174 29.238 29.460 -0.081 0.000 1.128 257 W HN 0.150 nan 8.180 nan 0.000 0.581 258 N N 1.116 119.861 118.700 0.075 0.000 2.895 258 N HA 0.226 4.966 4.740 -0.000 0.000 0.277 258 N C -1.042 174.221 175.510 -0.411 0.000 1.185 258 N CA -0.197 52.764 53.050 -0.148 0.000 1.106 258 N CB 0.297 38.812 38.487 0.045 0.000 1.422 258 N HN -0.072 nan 8.380 nan 0.000 0.521 259 V N 2.643 122.204 119.914 -0.588 0.000 2.531 259 V HA 0.389 4.509 4.120 -0.000 0.000 0.301 259 V C -0.852 174.819 176.094 -0.705 0.000 1.034 259 V CA -0.724 61.298 62.300 -0.463 0.000 0.865 259 V CB 0.628 32.372 31.823 -0.131 0.000 0.995 259 V HN 0.339 nan 8.190 nan 0.000 0.424 260 Y N 1.952 122.249 120.300 -0.005 0.000 2.562 260 Y HA 0.874 5.424 4.550 -0.000 0.000 0.343 260 Y C 0.646 176.406 175.900 -0.234 0.000 1.025 260 Y CA -0.885 57.179 58.100 -0.059 0.000 1.082 260 Y CB 2.377 40.862 38.460 0.042 0.000 1.264 260 Y HN 0.710 nan 8.280 nan 0.000 0.478 261 G N 0.416 109.150 108.800 -0.110 0.000 2.563 261 G HA2 0.583 4.543 3.960 -0.000 0.000 0.302 261 G HA3 0.583 4.543 3.960 -0.000 0.000 0.302 261 G C -1.940 172.796 174.900 -0.273 0.000 1.301 261 G CA -0.771 44.179 45.100 -0.250 0.000 0.965 261 G HN 0.563 nan 8.290 nan 0.000 0.480 262 E N -0.143 119.888 120.200 -0.282 0.000 2.317 262 E HA 0.700 5.050 4.350 -0.000 0.000 0.270 262 E C -0.807 175.783 176.600 -0.016 0.000 0.885 262 E CA -0.575 55.761 56.400 -0.106 0.000 0.760 262 E CB 2.177 31.855 29.700 -0.036 0.000 1.227 262 E HN 0.433 nan 8.360 nan 0.000 0.434 263 T N 0.558 115.129 114.554 0.030 0.000 2.858 263 T HA 0.631 4.981 4.350 -0.000 0.000 0.285 263 T C -0.583 174.190 174.700 0.121 0.000 1.052 263 T CA -0.563 61.574 62.100 0.062 0.000 1.009 263 T CB 1.144 69.993 68.868 -0.032 0.000 1.241 263 T HN 0.613 nan 8.240 nan 0.000 0.542 264 C N 0.804 120.218 119.300 0.189 0.000 2.889 264 C HA 0.500 4.960 4.460 -0.000 0.000 0.307 264 C C -1.527 173.444 174.990 -0.032 0.000 1.251 264 C CA -1.438 57.623 59.018 0.072 0.000 1.593 264 C CB 1.756 29.515 27.740 0.030 0.000 2.104 264 C HN 0.636 nan 8.230 nan 0.000 0.476 265 P HA -0.224 nan 4.420 nan 0.000 0.215 265 P C 1.719 179.049 177.300 0.052 0.000 1.157 265 P CA 1.712 64.811 63.100 -0.003 0.000 0.874 265 P CB -0.040 31.697 31.700 0.062 0.000 0.790 266 Q N -0.990 118.768 119.800 -0.070 0.000 2.197 266 Q HA -0.219 4.121 4.340 -0.000 0.000 0.207 266 Q C 1.269 177.162 176.000 -0.179 0.000 0.984 266 Q CA 1.910 57.608 55.803 -0.175 0.000 0.869 266 Q CB -1.495 26.784 28.738 -0.764 0.000 0.906 266 Q HN 0.358 nan 8.270 nan 0.000 0.426 267 Y N -0.384 119.930 120.300 0.023 0.000 2.482 267 Y HA 0.139 4.689 4.550 -0.000 0.000 0.270 267 Y C 1.666 177.521 175.900 -0.074 0.000 1.152 267 Y CA -0.014 58.081 58.100 -0.009 0.000 1.292 267 Y CB 0.280 38.706 38.460 -0.057 0.000 1.070 267 Y HN 0.028 nan 8.280 nan 0.000 0.528 268 L N -1.228 119.993 121.223 -0.003 0.000 2.357 268 L HA 0.289 4.629 4.340 -0.000 0.000 0.211 268 L C 1.916 178.866 176.870 0.132 0.000 1.075 268 L CA 0.909 55.661 54.840 -0.147 0.000 0.830 268 L CB -0.472 41.322 42.059 -0.442 0.000 0.996 268 L HN 0.101 nan 8.230 nan 0.000 0.467 269 A N -1.944 120.988 122.820 0.186 0.000 2.508 269 A HA 0.473 4.793 4.320 -0.000 0.000 0.250 269 A C 0.402 178.145 177.584 0.265 0.000 1.208 269 A CA -0.102 52.089 52.037 0.256 0.000 0.960 269 A CB 0.374 19.512 19.000 0.231 0.000 1.099 269 A HN 0.111 nan 8.150 nan 0.000 0.542 270 L N 0.450 121.809 121.223 0.226 0.000 2.354 270 L HA 0.575 4.915 4.340 -0.000 0.000 0.264 270 L C -1.198 175.736 176.870 0.106 0.000 1.008 270 L CA -0.899 54.038 54.840 0.162 0.000 0.819 270 L CB 2.353 44.526 42.059 0.190 0.000 1.339 270 L HN 0.491 nan 8.230 nan 0.000 0.420 271 D N -0.990 119.428 120.400 0.030 0.000 2.559 271 D HA 0.359 4.999 4.640 -0.000 0.000 0.250 271 D C 0.674 176.940 176.300 -0.057 0.000 1.135 271 D CA -0.771 53.236 54.000 0.013 0.000 0.955 271 D CB 1.633 42.446 40.800 0.021 0.000 1.442 271 D HN 0.235 nan 8.370 nan 0.000 0.471 272 V N -1.068 118.819 119.914 -0.044 0.000 2.439 272 V HA -0.266 3.854 4.120 -0.000 0.000 0.253 272 V C 1.889 177.907 176.094 -0.127 0.000 1.074 272 V CA 1.964 64.210 62.300 -0.090 0.000 1.076 272 V CB -1.342 30.459 31.823 -0.036 0.000 0.664 272 V HN 0.605 nan 8.190 nan 0.000 0.461 273 S N 0.439 116.086 115.700 -0.087 0.000 2.392 273 S HA -0.187 4.283 4.470 -0.000 0.000 0.232 273 S C 1.802 176.307 174.600 -0.157 0.000 1.041 273 S CA 2.233 60.380 58.200 -0.089 0.000 1.026 273 S CB -0.644 62.525 63.200 -0.052 0.000 0.845 273 S HN 0.674 nan 8.310 nan 0.000 0.465 274 I N 0.636 121.054 120.570 -0.254 0.000 3.176 274 I HA -0.010 4.159 4.170 -0.000 0.000 0.275 274 I C 1.559 177.421 176.117 -0.426 0.000 1.298 274 I CA 0.756 61.813 61.300 -0.405 0.000 1.445 274 I CB -0.044 37.539 38.000 -0.694 0.000 1.075 274 I HN 0.337 nan 8.210 nan 0.000 0.482 275 M N -0.914 118.496 119.600 -0.317 0.000 2.509 275 M HA 0.008 4.488 4.480 -0.000 0.000 0.250 275 M C 0.396 176.577 176.300 -0.199 0.000 1.132 275 M CA 0.418 55.569 55.300 -0.249 0.000 1.080 275 M CB -0.083 32.349 32.600 -0.281 0.000 1.408 275 M HN -0.001 nan 8.290 nan 0.000 0.484 276 D N 2.309 122.608 120.400 -0.168 0.000 2.896 276 D HA 0.152 4.792 4.640 -0.000 0.000 0.240 276 D C -0.561 175.692 176.300 -0.079 0.000 1.193 276 D CA 0.258 54.186 54.000 -0.120 0.000 0.983 276 D CB 0.054 40.801 40.800 -0.088 0.000 1.074 276 D HN 0.285 nan 8.370 nan 0.000 0.496 277 Q N 0.982 120.739 119.800 -0.071 0.000 2.387 277 Q HA 0.558 4.898 4.340 -0.000 0.000 0.273 277 Q C -2.274 173.722 176.000 -0.008 0.000 1.089 277 Q CA -1.803 53.976 55.803 -0.039 0.000 0.824 277 Q CB 2.218 30.929 28.738 -0.045 0.000 1.367 277 Q HN 0.179 nan 8.270 nan 0.000 0.443 278 P HA 0.268 nan 4.420 nan 0.000 0.281 278 P C -1.191 176.156 177.300 0.079 0.000 1.281 278 P CA -0.330 62.799 63.100 0.048 0.000 0.811 278 P CB 0.524 32.249 31.700 0.042 0.000 1.154 279 D N -1.608 118.862 120.400 0.117 0.000 2.981 279 D HA -0.221 4.419 4.640 -0.000 0.000 0.223 279 D C 0.087 176.576 176.300 0.316 0.000 1.151 279 D CA 0.723 54.824 54.000 0.168 0.000 0.827 279 D CB -1.936 38.941 40.800 0.129 0.000 1.101 279 D HN 0.507 nan 8.370 nan 0.000 0.426 280 F N -0.983 119.017 119.950 0.084 0.000 3.006 280 F HA -0.339 4.188 4.527 -0.000 0.000 0.289 280 F C 1.275 177.192 175.800 0.195 0.000 0.772 280 F CA 1.723 59.794 58.000 0.119 0.000 1.162 280 F CB -1.152 37.907 39.000 0.098 0.000 1.382 280 F HN 0.154 nan 8.300 nan 0.000 0.406 281 E N 0.313 120.536 120.200 0.039 0.000 2.150 281 E HA 0.028 4.378 4.350 -0.000 0.000 0.193 281 E C 2.371 178.809 176.600 -0.271 0.000 0.985 281 E CA 1.550 57.845 56.400 -0.175 0.000 0.814 281 E CB -0.756 28.877 29.700 -0.112 0.000 0.752 281 E HN 0.547 nan 8.360 nan 0.000 0.466 282 G N 0.139 108.819 108.800 -0.201 0.000 2.470 282 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.220 282 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.220 282 G C 1.618 176.324 174.900 -0.324 0.000 1.121 282 G CA 0.716 45.718 45.100 -0.165 0.000 0.766 282 G HN 0.418 nan 8.290 nan 0.000 0.553 283 A N 0.759 123.232 122.820 -0.578 0.000 2.076 283 A HA -0.042 4.278 4.320 -0.000 0.000 0.220 283 A C 2.227 179.499 177.584 -0.520 0.000 1.160 283 A CA 1.803 53.452 52.037 -0.646 0.000 0.653 283 A CB -0.316 17.963 19.000 -1.202 0.000 0.801 283 A HN 0.414 nan 8.150 nan 0.000 0.455 284 K N -1.647 118.338 120.400 -0.693 0.000 2.283 284 K HA -0.115 4.205 4.320 -0.000 0.000 0.202 284 K C 0.220 176.257 176.600 -0.939 0.000 1.048 284 K CA 1.243 56.942 56.287 -0.980 0.000 0.948 284 K CB -0.173 31.392 32.500 -1.560 0.000 0.742 284 K HN 0.735 nan 8.250 nan 0.000 0.458 285 Y N -0.055 119.878 120.300 -0.612 0.000 2.658 285 Y HA 0.116 4.666 4.550 -0.000 0.000 0.276 285 Y C 0.133 175.115 175.900 -1.529 0.000 1.167 285 Y CA -0.992 56.370 58.100 -1.230 0.000 1.230 285 Y CB 0.237 38.187 38.460 -0.850 0.000 1.144 285 Y HN -0.223 nan 8.280 nan 0.000 0.529 286 V N -1.125 118.287 119.914 -0.837 0.000 2.408 286 V HA 0.619 4.739 4.120 -0.000 0.000 0.267 286 V C -0.822 174.997 176.094 -0.460 0.000 1.047 286 V CA -0.831 61.010 62.300 -0.765 0.000 0.937 286 V CB -0.591 30.823 31.823 -0.681 0.000 0.999 286 V HN 0.389 nan 8.190 nan 0.000 0.472 287 W N 2.407 123.662 121.300 -0.075 0.000 2.989 287 W HA 0.824 5.484 4.660 -0.000 0.000 0.344 287 W C -1.126 175.573 176.519 0.300 0.000 1.233 287 W CA -1.123 56.271 57.345 0.082 0.000 1.187 287 W CB 0.498 29.995 29.460 0.062 0.000 1.443 287 W HN 0.438 nan 8.180 nan 0.000 0.573 288 S N 1.770 117.834 115.700 0.606 0.000 2.532 288 S HA 0.675 5.145 4.470 -0.000 0.000 0.299 288 S C -2.649 172.045 174.600 0.157 0.000 1.105 288 S CA -1.155 57.324 58.200 0.465 0.000 1.018 288 S CB 1.891 65.400 63.200 0.515 0.000 1.021 288 S HN 0.178 nan 8.310 nan 0.000 0.483 289 P HA 0.257 nan 4.420 nan 0.000 0.270 289 P C -2.459 175.058 177.300 0.362 0.000 1.223 289 P CA -1.108 62.011 63.100 0.033 0.000 0.785 289 P CB -0.137 31.433 31.700 -0.218 0.000 0.923 290 P HA 0.143 nan 4.420 nan 0.000 0.276 290 P C -0.292 177.222 177.300 0.357 0.000 1.261 290 P CA -0.228 63.046 63.100 0.290 0.000 0.800 290 P CB 0.687 32.429 31.700 0.070 0.000 1.066 291 L N 1.000 122.397 121.223 0.289 0.000 2.499 291 L HA 0.107 4.447 4.340 -0.000 0.000 0.281 291 L C 1.520 178.469 176.870 0.132 0.000 1.234 291 L CA 0.237 55.250 54.840 0.288 0.000 0.839 291 L CB -0.193 41.942 42.059 0.126 0.000 1.104 291 L HN 0.353 nan 8.230 nan 0.000 0.500 292 R N 1.054 121.611 120.500 0.095 0.000 2.943 292 R HA 0.414 4.754 4.340 -0.000 0.000 0.246 292 R C -0.684 175.583 176.300 -0.055 0.000 1.201 292 R CA -1.049 55.038 56.100 -0.021 0.000 1.056 292 R CB 0.553 30.780 30.300 -0.122 0.000 1.243 292 R HN 0.510 nan 8.270 nan 0.000 0.498 293 E N 1.299 121.436 120.200 -0.104 0.000 2.414 293 E HA -0.070 4.280 4.350 -0.000 0.000 0.263 293 E C 0.712 177.227 176.600 -0.142 0.000 1.000 293 E CA 0.043 56.415 56.400 -0.045 0.000 0.914 293 E CB 0.756 30.529 29.700 0.122 0.000 0.948 293 E HN 0.273 nan 8.360 nan 0.000 0.444 294 K N 4.456 124.870 120.400 0.025 0.000 2.127 294 K HA -0.221 4.099 4.320 -0.000 0.000 0.212 294 K C 1.690 178.334 176.600 0.073 0.000 1.050 294 K CA 2.297 58.620 56.287 0.061 0.000 0.929 294 K CB -0.264 32.309 32.500 0.120 0.000 0.715 294 K HN 0.773 nan 8.250 nan 0.000 0.457 295 W N -0.013 121.325 121.300 0.063 0.000 2.350 295 W HA -0.173 4.487 4.660 -0.000 0.000 0.289 295 W C 0.979 177.541 176.519 0.072 0.000 1.215 295 W CA 1.213 58.596 57.345 0.063 0.000 1.236 295 W CB -1.335 28.152 29.460 0.045 0.000 1.130 295 W HN 0.090 nan 8.180 nan 0.000 0.541 296 N N 1.153 119.433 118.700 -0.701 0.000 2.348 296 N HA -0.206 4.534 4.740 -0.000 0.000 0.185 296 N C 1.858 177.258 175.510 -0.183 0.000 1.019 296 N CA 2.160 54.839 53.050 -0.618 0.000 0.880 296 N CB -0.558 37.505 38.487 -0.707 0.000 0.965 296 N HN 0.348 nan 8.380 nan 0.000 0.437 297 Q N 0.192 119.959 119.800 -0.055 0.000 2.096 297 Q HA -0.128 4.212 4.340 -0.000 0.000 0.204 297 Q C 1.379 177.492 176.000 0.189 0.000 0.982 297 Q CA 0.977 56.817 55.803 0.061 0.000 0.850 297 Q CB 0.103 28.937 28.738 0.160 0.000 0.901 297 Q HN 0.362 nan 8.270 nan 0.000 0.422 298 E N -0.280 120.059 120.200 0.232 0.000 2.208 298 E HA -0.093 4.257 4.350 -0.000 0.000 0.193 298 E C 2.035 178.767 176.600 0.220 0.000 0.988 298 E CA 0.545 57.115 56.400 0.282 0.000 0.828 298 E CB 0.130 29.965 29.700 0.226 0.000 0.763 298 E HN 0.180 nan 8.360 nan 0.000 0.478 299 V N 1.348 121.353 119.914 0.152 0.000 2.358 299 V HA -0.208 3.912 4.120 -0.000 0.000 0.246 299 V C 2.459 178.596 176.094 0.072 0.000 1.047 299 V CA 1.144 63.513 62.300 0.115 0.000 1.035 299 V CB -0.447 31.429 31.823 0.089 0.000 0.658 299 V HN 0.208 nan 8.190 nan 0.000 0.452 300 L N -1.798 119.433 121.223 0.014 0.000 2.056 300 L HA -0.178 4.162 4.340 -0.000 0.000 0.207 300 L C 2.437 179.297 176.870 -0.017 0.000 1.078 300 L CA 1.995 56.796 54.840 -0.065 0.000 0.749 300 L CB -0.530 41.418 42.059 -0.185 0.000 0.901 300 L HN 0.375 nan 8.230 nan 0.000 0.433 301 W N -0.018 121.304 121.300 0.037 0.000 2.358 301 W HA -0.177 4.483 4.660 -0.000 0.000 0.303 301 W C 2.902 179.440 176.519 0.032 0.000 1.208 301 W CA 0.991 58.358 57.345 0.037 0.000 1.274 301 W CB -0.260 29.222 29.460 0.036 0.000 1.138 301 W HN -0.003 nan 8.180 nan 0.000 0.515 302 S N 0.253 116.120 115.700 0.278 0.000 2.370 302 S HA -0.239 4.231 4.470 -0.000 0.000 0.226 302 S C 1.919 176.593 174.600 0.124 0.000 1.033 302 S CA 1.535 59.836 58.200 0.169 0.000 1.011 302 S CB -0.823 62.455 63.200 0.130 0.000 0.852 302 S HN 0.305 nan 8.310 nan 0.000 0.457 303 A N 0.901 123.780 122.820 0.099 0.000 1.969 303 A HA 0.058 4.378 4.320 -0.000 0.000 0.218 303 A C 2.083 179.706 177.584 0.064 0.000 1.169 303 A CA 0.968 53.040 52.037 0.059 0.000 0.635 303 A CB -0.529 18.486 19.000 0.024 0.000 0.810 303 A HN 0.456 nan 8.150 nan 0.000 0.445 304 L N -0.765 120.513 121.223 0.092 0.000 2.072 304 L HA -0.124 4.216 4.340 -0.000 0.000 0.205 304 L C 2.604 179.547 176.870 0.123 0.000 1.079 304 L CA 1.646 56.547 54.840 0.101 0.000 0.752 304 L CB -0.328 41.808 42.059 0.128 0.000 0.906 304 L HN 0.459 nan 8.230 nan 0.000 0.436 305 K N 0.748 121.239 120.400 0.152 0.000 2.057 305 K HA -0.172 4.148 4.320 -0.000 0.000 0.207 305 K C 1.110 177.755 176.600 0.076 0.000 1.049 305 K CA 1.771 58.129 56.287 0.118 0.000 0.931 305 K CB -0.040 32.530 32.500 0.117 0.000 0.714 305 K HN 0.411 nan 8.250 nan 0.000 0.440 306 N N -0.965 117.775 118.700 0.067 0.000 2.251 306 N HA 0.093 4.833 4.740 -0.000 0.000 0.217 306 N C -0.017 175.515 175.510 0.037 0.000 1.124 306 N CA 0.258 53.336 53.050 0.045 0.000 0.843 306 N CB 1.042 39.551 38.487 0.038 0.000 1.024 306 N HN 0.426 nan 8.380 nan 0.000 0.501 307 G N 1.006 109.832 108.800 0.043 0.000 2.157 307 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.248 307 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.248 307 G C 0.775 175.696 174.900 0.035 0.000 0.979 307 G CA -0.017 45.107 45.100 0.039 0.000 0.650 307 G HN 0.325 nan 8.290 nan 0.000 0.529 308 I N -0.327 120.260 120.570 0.027 0.000 2.353 308 I HA 0.167 4.337 4.170 -0.000 0.000 0.248 308 I C 1.435 177.558 176.117 0.010 0.000 1.119 308 I CA 0.962 62.269 61.300 0.012 0.000 1.417 308 I CB -0.064 37.940 38.000 0.007 0.000 1.078 308 I HN 0.128 nan 8.210 nan 0.000 0.421 309 L N 0.088 121.320 121.223 0.015 0.000 2.334 309 L HA 0.234 4.574 4.340 -0.000 0.000 0.273 309 L C 0.357 177.245 176.870 0.031 0.000 1.013 309 L CA -0.336 54.506 54.840 0.004 0.000 0.816 309 L CB 1.893 43.940 42.059 -0.020 0.000 1.278 309 L HN -0.049 nan 8.230 nan 0.000 0.431 310 Q N -0.213 119.611 119.800 0.039 0.000 2.391 310 Q HA 0.139 4.479 4.340 -0.000 0.000 0.243 310 Q C 0.187 176.222 176.000 0.057 0.000 0.874 310 Q CA 0.311 56.148 55.803 0.057 0.000 0.950 310 Q CB 0.979 29.770 28.738 0.088 0.000 1.103 310 Q HN 0.784 nan 8.270 nan 0.000 0.544 311 T N -3.252 111.345 114.554 0.071 0.000 2.887 311 T HA 0.767 5.117 4.350 -0.000 0.000 0.292 311 T C -0.834 173.920 174.700 0.091 0.000 1.087 311 T CA -0.920 61.246 62.100 0.110 0.000 1.009 311 T CB 1.671 70.687 68.868 0.247 0.000 1.203 311 T HN -0.214 nan 8.240 nan 0.000 0.518 312 V N 1.209 121.179 119.914 0.094 0.000 2.447 312 V HA 0.742 4.861 4.120 -0.000 0.000 0.292 312 V C 0.684 176.843 176.094 0.110 0.000 1.021 312 V CA -0.334 62.011 62.300 0.075 0.000 0.850 312 V CB 1.126 32.967 31.823 0.030 0.000 1.005 312 V HN 1.315 nan 8.190 nan 0.000 0.426 313 G N 2.370 111.262 108.800 0.153 0.000 2.601 313 G HA2 0.560 4.520 3.960 -0.000 0.000 0.317 313 G HA3 0.560 4.520 3.960 -0.000 0.000 0.317 313 G C 0.762 175.715 174.900 0.090 0.000 1.246 313 G CA 0.286 45.491 45.100 0.175 0.000 1.012 313 G HN 0.750 nan 8.290 nan 0.000 0.494 314 S N -1.754 113.985 115.700 0.064 0.000 2.545 314 S HA 0.106 4.576 4.470 -0.000 0.000 0.232 314 S C 0.844 175.386 174.600 -0.097 0.000 1.070 314 S CA 1.227 59.423 58.200 -0.006 0.000 0.923 314 S CB 0.131 63.346 63.200 0.024 0.000 0.806 314 S HN 0.768 nan 8.310 nan 0.000 0.506 315 D N 0.957 121.280 120.400 -0.129 0.000 2.835 315 D HA -0.217 4.423 4.640 -0.000 0.000 0.230 315 D C -0.324 176.030 176.300 0.090 0.000 1.130 315 D CA 0.622 54.486 54.000 -0.226 0.000 0.738 315 D CB -2.550 38.010 40.800 -0.401 0.000 1.090 315 D HN 0.768 nan 8.370 nan 0.000 0.433 316 H N 0.323 119.410 119.070 0.028 0.000 3.145 316 H HA 0.309 4.865 4.556 -0.000 0.000 0.288 316 H C -0.130 175.255 175.328 0.095 0.000 0.969 316 H CA 1.103 57.153 56.048 0.003 0.000 1.444 316 H CB 0.283 30.023 29.762 -0.037 0.000 1.500 316 H HN 0.266 nan 8.280 nan 0.000 0.552 317 C N 10.021 129.132 119.300 -0.315 0.000 3.319 317 C HA 0.271 4.731 4.460 -0.000 0.000 0.258 317 C C -2.900 171.806 174.990 -0.473 0.000 1.068 317 C CA -1.186 57.672 59.018 -0.266 0.000 1.193 317 C CB -0.506 27.254 27.740 0.034 0.000 1.770 317 C HN 0.749 nan 8.230 nan 0.000 0.604 318 P HA 0.429 nan 4.420 nan 0.000 0.275 318 P C -1.026 175.855 177.300 -0.698 0.000 1.227 318 P CA 0.289 63.061 63.100 -0.546 0.000 0.781 318 P CB 0.786 32.181 31.700 -0.508 0.000 0.906 319 F N 0.497 120.461 119.950 0.023 0.000 2.588 319 F HA 0.285 4.812 4.527 -0.000 0.000 0.318 319 F C 0.698 176.616 175.800 0.198 0.000 1.155 319 F CA -0.792 57.259 58.000 0.084 0.000 0.967 319 F CB 1.411 40.450 39.000 0.065 0.000 1.236 319 F HN 0.191 nan 8.300 nan 0.000 0.455 320 N N 2.066 120.968 118.700 0.337 0.000 2.345 320 N HA -0.060 4.680 4.740 -0.000 0.000 0.243 320 N C 0.696 176.432 175.510 0.377 0.000 1.246 320 N CA -0.042 53.214 53.050 0.343 0.000 0.863 320 N CB 0.667 39.288 38.487 0.224 0.000 1.096 320 N HN 0.610 nan 8.380 nan 0.000 0.446 321 F N 1.713 121.788 119.950 0.208 0.000 2.146 321 F HA 0.030 4.556 4.527 -0.000 0.000 0.298 321 F C 1.126 176.972 175.800 0.076 0.000 1.096 321 F CA 1.143 59.145 58.000 0.003 0.000 1.275 321 F CB 0.121 39.005 39.000 -0.194 0.000 1.008 321 F HN 0.351 nan 8.300 nan 0.000 0.480 322 R N -0.489 120.014 120.500 0.005 0.000 2.265 322 R HA 0.427 4.766 4.340 -0.000 0.000 0.319 322 R C 0.722 177.013 176.300 -0.015 0.000 1.006 322 R CA 0.600 56.634 56.100 -0.109 0.000 0.880 322 R CB 0.574 30.866 30.300 -0.012 0.000 1.077 322 R HN 0.508 nan 8.270 nan 0.000 0.454 323 G N 2.497 111.265 108.800 -0.052 0.000 2.258 323 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.233 323 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.233 323 G C 0.542 175.459 174.900 0.028 0.000 1.006 323 G CA 0.460 45.558 45.100 -0.003 0.000 0.620 323 G HN 0.627 nan 8.290 nan 0.000 0.511 324 Q N -1.285 118.546 119.800 0.052 0.000 2.534 324 Q HA 0.236 4.576 4.340 -0.000 0.000 0.207 324 Q C 2.134 178.155 176.000 0.036 0.000 0.735 324 Q CA -0.031 55.824 55.803 0.086 0.000 0.904 324 Q CB -0.042 28.836 28.738 0.234 0.000 1.294 324 Q HN 0.166 nan 8.270 nan 0.000 0.553 325 K N 2.021 122.464 120.400 0.072 0.000 2.063 325 K HA -0.175 4.145 4.320 -0.000 0.000 0.208 325 K C 1.749 178.450 176.600 0.168 0.000 1.048 325 K CA 1.675 58.017 56.287 0.091 0.000 0.928 325 K CB -0.173 32.413 32.500 0.143 0.000 0.713 325 K HN 0.467 nan 8.250 nan 0.000 0.442 326 E N 1.059 121.268 120.200 0.014 0.000 2.510 326 E HA -0.130 4.220 4.350 -0.000 0.000 0.202 326 E C 1.676 178.149 176.600 -0.212 0.000 1.072 326 E CA 0.386 56.659 56.400 -0.211 0.000 0.883 326 E CB -0.442 29.035 29.700 -0.371 0.000 0.818 326 E HN 0.242 nan 8.360 nan 0.000 0.548 327 L N 0.651 121.830 121.223 -0.073 0.000 2.275 327 L HA -0.012 4.328 4.340 -0.000 0.000 0.215 327 L C 2.289 179.127 176.870 -0.054 0.000 1.119 327 L CA 0.981 55.780 54.840 -0.068 0.000 0.790 327 L CB -0.177 41.866 42.059 -0.026 0.000 0.919 327 L HN 0.321 nan 8.230 nan 0.000 0.443 328 G N -0.456 108.361 108.800 0.027 0.000 3.088 328 G HA2 0.007 3.967 3.960 -0.000 0.000 0.212 328 G HA3 0.007 3.967 3.960 -0.000 0.000 0.212 328 G C 0.557 175.488 174.900 0.051 0.000 1.173 328 G CA -0.471 44.685 45.100 0.092 0.000 0.779 328 G HN 0.193 nan 8.290 nan 0.000 0.540 329 R N 0.262 120.603 120.500 -0.266 0.000 2.404 329 R HA 0.393 4.733 4.340 -0.000 0.000 0.315 329 R C 1.282 177.488 176.300 -0.156 0.000 1.032 329 R CA 1.017 56.867 56.100 -0.417 0.000 0.992 329 R CB 0.425 30.337 30.300 -0.647 0.000 0.959 329 R HN 0.259 nan 8.270 nan 0.000 0.428 330 G N 2.184 110.956 108.800 -0.046 0.000 2.284 330 G HA2 -0.201 3.758 3.960 -0.000 0.000 0.201 330 G HA3 -0.201 3.758 3.960 -0.000 0.000 0.201 330 G C -0.715 174.180 174.900 -0.008 0.000 0.998 330 G CA 0.019 45.100 45.100 -0.031 0.000 0.651 330 G HN 0.749 nan 8.290 nan 0.000 0.489 331 D N -0.683 119.727 120.400 0.017 0.000 2.334 331 D HA 0.205 4.845 4.640 -0.000 0.000 0.182 331 D C 0.694 176.972 176.300 -0.037 0.000 1.157 331 D CA -0.069 53.900 54.000 -0.052 0.000 0.807 331 D CB -0.441 40.245 40.800 -0.189 0.000 2.649 331 D HN 0.613 nan 8.370 nan 0.000 0.494 332 F N 1.308 121.323 119.950 0.109 0.000 2.250 332 F HA -0.107 4.420 4.527 -0.000 0.000 0.301 332 F C 2.267 178.126 175.800 0.100 0.000 1.077 332 F CA 1.357 59.424 58.000 0.111 0.000 1.348 332 F CB -1.245 37.838 39.000 0.139 0.000 1.040 332 F HN 0.392 nan 8.300 nan 0.000 0.509 333 T N -2.042 112.240 114.554 -0.452 0.000 2.977 333 T HA -0.119 4.231 4.350 -0.000 0.000 0.271 333 T C 1.406 176.098 174.700 -0.014 0.000 1.105 333 T CA 1.203 63.201 62.100 -0.170 0.000 1.116 333 T CB -0.542 68.146 68.868 -0.301 0.000 0.878 333 T HN 0.507 nan 8.240 nan 0.000 0.509 334 K N 0.311 120.697 120.400 -0.022 0.000 2.372 334 K HA 0.351 4.671 4.320 -0.000 0.000 0.200 334 K C -0.056 176.584 176.600 0.066 0.000 1.022 334 K CA -0.161 56.144 56.287 0.029 0.000 1.125 334 K CB 0.279 32.766 32.500 -0.021 0.000 0.855 334 K HN 0.473 nan 8.250 nan 0.000 0.524 335 I N 3.231 123.834 120.570 0.054 0.000 2.337 335 I HA 0.122 4.292 4.170 -0.000 0.000 0.291 335 I C -2.339 173.669 176.117 -0.181 0.000 1.046 335 I CA -2.428 58.869 61.300 -0.005 0.000 1.324 335 I CB 0.656 38.660 38.000 0.007 0.000 1.409 335 I HN -0.273 nan 8.210 nan 0.000 0.494 336 P HA -0.002 nan 4.420 nan 0.000 0.263 336 P C -0.814 176.080 177.300 -0.676 0.000 1.195 336 P CA 0.242 62.726 63.100 -1.027 0.000 0.762 336 P CB 0.184 30.891 31.700 -1.655 0.000 0.799 337 N N 2.204 120.578 118.700 -0.543 0.000 2.514 337 N HA 0.502 5.242 4.740 -0.000 0.000 0.277 337 N C 0.225 175.833 175.510 0.163 0.000 1.126 337 N CA -0.086 52.894 53.050 -0.116 0.000 0.978 337 N CB 0.636 39.126 38.487 0.005 0.000 1.106 337 N HN 0.550 nan 8.380 nan 0.000 0.461 338 G N -0.254 108.736 108.800 0.317 0.000 2.317 338 G HA2 0.346 4.306 3.960 -0.000 0.000 0.445 338 G HA3 0.346 4.306 3.960 -0.000 0.000 0.445 338 G C -1.171 173.967 174.900 0.396 0.000 1.486 338 G CA -0.664 44.641 45.100 0.343 0.000 0.991 338 G HN 0.764 nan 8.290 nan 0.000 0.660 339 G N -0.597 108.318 108.800 0.193 0.000 2.642 339 G HA2 0.829 4.789 3.960 -0.000 0.000 0.293 339 G HA3 0.829 4.789 3.960 -0.000 0.000 0.293 339 G C -3.257 171.553 174.900 -0.149 0.000 1.341 339 G CA -1.419 43.763 45.100 0.138 0.000 0.916 339 G HN 0.489 nan 8.290 nan 0.000 0.474 340 P HA 0.289 nan 4.420 nan 0.000 0.256 340 P C 0.264 177.579 177.300 0.025 0.000 1.689 340 P CA -0.323 62.709 63.100 -0.114 0.000 1.124 340 P CB 0.801 32.334 31.700 -0.279 0.000 1.766 341 L N 1.926 123.273 121.223 0.206 0.000 2.672 341 L HA 0.226 4.566 4.340 -0.000 0.000 0.236 341 L C 1.898 178.801 176.870 0.054 0.000 1.092 341 L CA 0.225 55.126 54.840 0.101 0.000 0.887 341 L CB -0.851 41.187 42.059 -0.035 0.000 1.168 341 L HN 0.282 nan 8.230 nan 0.000 0.502 342 I N 0.442 120.949 120.570 -0.105 0.000 2.335 342 I HA -0.314 3.856 4.170 -0.000 0.000 0.251 342 I C 2.445 178.462 176.117 -0.167 0.000 1.129 342 I CA 1.443 62.564 61.300 -0.298 0.000 1.402 342 I CB 0.400 37.932 38.000 -0.780 0.000 1.069 342 I HN 0.358 nan 8.210 nan 0.000 0.424 343 E N 0.150 120.273 120.200 -0.128 0.000 2.076 343 E HA -0.191 4.159 4.350 -0.000 0.000 0.190 343 E C 0.973 177.608 176.600 0.059 0.000 0.979 343 E CA 1.103 57.488 56.400 -0.026 0.000 0.807 343 E CB 0.168 29.860 29.700 -0.014 0.000 0.761 343 E HN 0.504 nan 8.360 nan 0.000 0.454 344 D N -0.069 120.385 120.400 0.090 0.000 2.339 344 D HA -0.027 4.613 4.640 -0.000 0.000 0.217 344 D C 1.543 177.872 176.300 0.048 0.000 1.050 344 D CA -0.006 54.048 54.000 0.090 0.000 0.856 344 D CB 0.053 40.916 40.800 0.105 0.000 0.922 344 D HN 0.140 nan 8.370 nan 0.000 0.518 345 R N 0.987 121.520 120.500 0.056 0.000 2.080 345 R HA -0.150 4.190 4.340 -0.000 0.000 0.236 345 R C 2.080 178.438 176.300 0.096 0.000 1.137 345 R CA 0.916 57.047 56.100 0.051 0.000 0.943 345 R CB -0.319 30.004 30.300 0.038 0.000 0.846 345 R HN 0.093 nan 8.270 nan 0.000 0.431 346 L N 0.970 122.261 121.223 0.113 0.000 1.989 346 L HA -0.160 4.180 4.340 -0.000 0.000 0.211 346 L C 1.918 178.962 176.870 0.290 0.000 1.071 346 L CA 2.358 57.309 54.840 0.185 0.000 0.749 346 L CB -1.402 40.730 42.059 0.121 0.000 0.890 346 L HN 0.320 nan 8.230 nan 0.000 0.431 347 T N 1.141 115.845 114.554 0.250 0.000 2.684 347 T HA -0.212 4.138 4.350 -0.000 0.000 0.267 347 T C 1.876 176.719 174.700 0.239 0.000 1.036 347 T CA 2.148 64.432 62.100 0.306 0.000 1.148 347 T CB -0.411 68.609 68.868 0.253 0.000 0.863 347 T HN 0.579 nan 8.240 nan 0.000 0.436 348 I N -0.149 120.486 120.570 0.108 0.000 2.493 348 I HA 0.015 4.185 4.170 -0.000 0.000 0.254 348 I C 1.966 178.188 176.117 0.174 0.000 1.160 348 I CA 1.209 62.538 61.300 0.049 0.000 1.445 348 I CB -0.647 37.249 38.000 -0.173 0.000 1.086 348 I HN 0.025 nan 8.210 nan 0.000 0.433 349 L N -0.252 121.123 121.223 0.254 0.000 2.046 349 L HA -0.162 4.178 4.340 -0.000 0.000 0.208 349 L C 2.494 179.535 176.870 0.284 0.000 1.077 349 L CA 1.857 56.931 54.840 0.389 0.000 0.747 349 L CB -1.285 41.042 42.059 0.447 0.000 0.896 349 L HN 0.500 nan 8.230 nan 0.000 0.432 350 Y N -1.164 119.131 120.300 -0.009 0.000 2.153 350 Y HA -0.201 4.349 4.550 -0.000 0.000 0.289 350 Y C 2.907 178.733 175.900 -0.123 0.000 1.127 350 Y CA 1.844 59.700 58.100 -0.406 0.000 1.131 350 Y CB -0.538 37.595 38.460 -0.546 0.000 0.995 350 Y HN 0.189 nan 8.280 nan 0.000 0.505 351 S N -0.251 115.409 115.700 -0.066 0.000 2.348 351 S HA -0.164 4.306 4.470 -0.000 0.000 0.221 351 S C 1.913 176.432 174.600 -0.136 0.000 1.033 351 S CA 1.604 59.754 58.200 -0.083 0.000 1.010 351 S CB -0.371 62.912 63.200 0.139 0.000 0.891 351 S HN 0.568 nan 8.310 nan 0.000 0.442 352 E N 0.166 120.339 120.200 -0.045 0.000 2.216 352 E HA 0.042 4.392 4.350 -0.000 0.000 0.192 352 E C 1.904 178.271 176.600 -0.390 0.000 0.988 352 E CA 0.847 57.192 56.400 -0.092 0.000 0.834 352 E CB -0.529 29.270 29.700 0.166 0.000 0.772 352 E HN 0.610 nan 8.360 nan 0.000 0.479 353 G N 0.672 109.306 108.800 -0.277 0.000 2.664 353 G HA2 -0.059 3.901 3.960 -0.000 0.000 0.216 353 G HA3 -0.059 3.901 3.960 -0.000 0.000 0.216 353 G C 1.724 176.415 174.900 -0.349 0.000 1.243 353 G CA 0.425 45.287 45.100 -0.397 0.000 0.859 353 G HN 0.112 nan 8.290 nan 0.000 0.574 354 V N 0.909 120.615 119.914 -0.347 0.000 2.255 354 V HA -0.061 4.059 4.120 -0.000 0.000 0.243 354 V C 2.920 178.758 176.094 -0.427 0.000 1.038 354 V CA 1.427 63.505 62.300 -0.370 0.000 1.008 354 V CB -0.532 31.039 31.823 -0.419 0.000 0.645 354 V HN 0.136 nan 8.190 nan 0.000 0.449 355 R N 0.039 120.159 120.500 -0.633 0.000 2.117 355 R HA -0.201 4.139 4.340 -0.000 0.000 0.243 355 R C 2.222 178.335 176.300 -0.311 0.000 1.143 355 R CA 1.629 57.443 56.100 -0.476 0.000 0.968 355 R CB -0.451 29.551 30.300 -0.497 0.000 0.863 355 R HN 0.508 nan 8.270 nan 0.000 0.444 356 Q N -1.080 118.536 119.800 -0.307 0.000 2.451 356 Q HA 0.067 4.407 4.340 -0.000 0.000 0.206 356 Q C 0.655 176.511 176.000 -0.239 0.000 0.947 356 Q CA 0.853 56.503 55.803 -0.256 0.000 0.937 356 Q CB 0.346 28.902 28.738 -0.303 0.000 1.025 356 Q HN 0.529 nan 8.270 nan 0.000 0.511 357 G N 0.105 108.764 108.800 -0.235 0.000 2.148 357 G HA2 -0.350 3.610 3.960 -0.000 0.000 0.254 357 G HA3 -0.350 3.610 3.960 -0.000 0.000 0.254 357 G C 0.848 175.639 174.900 -0.182 0.000 0.981 357 G CA 0.522 45.516 45.100 -0.176 0.000 0.670 357 G HN 0.382 nan 8.290 nan 0.000 0.528 358 R N -0.264 120.068 120.500 -0.279 0.000 2.093 358 R HA 0.264 4.604 4.340 -0.000 0.000 0.224 358 R C 1.617 177.849 176.300 -0.113 0.000 1.101 358 R CA 1.577 57.506 56.100 -0.285 0.000 0.979 358 R CB -0.042 29.850 30.300 -0.679 0.000 0.877 358 R HN 0.766 nan 8.270 nan 0.000 0.441 359 I N -2.728 117.790 120.570 -0.086 0.000 3.042 359 I HA 0.384 4.554 4.170 -0.000 0.000 0.310 359 I C -0.132 175.991 176.117 0.010 0.000 1.117 359 I CA -1.289 60.027 61.300 0.028 0.000 1.003 359 I CB 2.095 40.181 38.000 0.144 0.000 1.228 359 I HN -0.170 nan 8.210 nan 0.000 0.443 360 S N 2.585 118.309 115.700 0.040 0.000 2.632 360 S HA 0.264 4.734 4.470 -0.000 0.000 0.267 360 S C 0.826 175.465 174.600 0.065 0.000 1.276 360 S CA -0.629 57.590 58.200 0.030 0.000 0.998 360 S CB 1.597 64.814 63.200 0.029 0.000 0.953 360 S HN 0.767 nan 8.310 nan 0.000 0.547 361 L N 2.338 123.583 121.223 0.038 0.000 1.990 361 L HA -0.144 4.196 4.340 -0.000 0.000 0.213 361 L C 2.007 178.940 176.870 0.106 0.000 1.072 361 L CA 2.159 57.029 54.840 0.050 0.000 0.755 361 L CB -1.693 40.332 42.059 -0.056 0.000 0.889 361 L HN 0.891 nan 8.230 nan 0.000 0.432 362 N N -1.290 117.436 118.700 0.043 0.000 2.149 362 N HA -0.232 4.508 4.740 -0.000 0.000 0.188 362 N C 1.746 177.278 175.510 0.035 0.000 1.019 362 N CA 1.461 54.527 53.050 0.027 0.000 0.857 362 N CB -0.200 38.297 38.487 0.016 0.000 0.997 362 N HN 0.524 nan 8.380 nan 0.000 0.426 363 Q N -0.368 119.471 119.800 0.065 0.000 2.167 363 Q HA -0.119 4.221 4.340 -0.000 0.000 0.202 363 Q C 1.634 177.687 176.000 0.088 0.000 0.970 363 Q CA 0.782 56.625 55.803 0.066 0.000 0.855 363 Q CB -0.137 28.652 28.738 0.085 0.000 0.911 363 Q HN 0.444 nan 8.270 nan 0.000 0.438 364 F N 0.685 120.638 119.950 0.006 0.000 2.126 364 F HA -0.222 4.305 4.527 -0.000 0.000 0.299 364 F C 1.766 177.554 175.800 -0.020 0.000 1.096 364 F CA 1.166 59.175 58.000 0.014 0.000 1.255 364 F CB -0.292 38.717 39.000 0.015 0.000 0.997 364 F HN -0.200 nan 8.300 nan 0.000 0.479 365 V N 0.312 120.011 119.914 -0.358 0.000 2.407 365 V HA -0.228 3.892 4.120 -0.000 0.000 0.245 365 V C 2.118 178.055 176.094 -0.262 0.000 1.041 365 V CA 2.050 64.085 62.300 -0.442 0.000 1.040 365 V CB -0.778 30.914 31.823 -0.218 0.000 0.671 365 V HN 0.291 nan 8.190 nan 0.000 0.455 366 D N 0.082 120.398 120.400 -0.140 0.000 2.123 366 D HA -0.169 4.471 4.640 -0.000 0.000 0.196 366 D C 1.762 178.013 176.300 -0.082 0.000 0.992 366 D CA 1.313 55.257 54.000 -0.093 0.000 0.833 366 D CB -0.092 40.676 40.800 -0.053 0.000 0.954 366 D HN 0.321 nan 8.370 nan 0.000 0.455 367 I N -0.031 120.496 120.570 -0.073 0.000 2.761 367 I HA -0.106 4.064 4.170 -0.000 0.000 0.261 367 I C 2.083 178.162 176.117 -0.064 0.000 1.198 367 I CA 0.840 62.121 61.300 -0.032 0.000 1.482 367 I CB -0.120 37.896 38.000 0.028 0.000 1.100 367 I HN 0.068 nan 8.210 nan 0.000 0.445 368 S N -2.232 113.359 115.700 -0.182 0.000 2.511 368 S HA 0.128 4.598 4.470 -0.000 0.000 0.214 368 S C 1.462 175.974 174.600 -0.147 0.000 0.997 368 S CA 0.476 58.560 58.200 -0.195 0.000 0.908 368 S CB 0.031 62.990 63.200 -0.401 0.000 0.803 368 S HN 0.417 nan 8.310 nan 0.000 0.504 369 S N -0.009 115.610 115.700 -0.136 0.000 3.640 369 S HA 0.067 4.537 4.470 -0.000 0.000 0.246 369 S C 1.556 176.136 174.600 -0.034 0.000 1.133 369 S CA 0.614 58.767 58.200 -0.077 0.000 0.882 369 S CB -0.799 62.340 63.200 -0.102 0.000 1.015 369 S HN 0.240 nan 8.310 nan 0.000 0.469 370 T N 3.123 117.644 114.554 -0.055 0.000 2.684 370 T HA -0.005 4.345 4.350 -0.000 0.000 0.267 370 T C 1.756 176.392 174.700 -0.107 0.000 1.036 370 T CA 1.610 63.676 62.100 -0.056 0.000 1.148 370 T CB -0.326 68.488 68.868 -0.090 0.000 0.863 370 T HN 0.188 nan 8.240 nan 0.000 0.436 371 K N 1.231 121.576 120.400 -0.092 0.000 2.057 371 K HA 0.103 4.423 4.320 -0.000 0.000 0.207 371 K C 2.628 179.200 176.600 -0.046 0.000 1.049 371 K CA 1.283 57.512 56.287 -0.097 0.000 0.931 371 K CB -0.771 31.699 32.500 -0.049 0.000 0.714 371 K HN 0.373 nan 8.250 nan 0.000 0.440 372 A N 1.242 124.096 122.820 0.058 0.000 1.933 372 A HA -0.111 4.209 4.320 -0.000 0.000 0.218 372 A C 2.382 180.075 177.584 0.182 0.000 1.175 372 A CA 2.076 54.237 52.037 0.208 0.000 0.628 372 A CB -0.535 18.599 19.000 0.223 0.000 0.814 372 A HN 0.311 nan 8.150 nan 0.000 0.444 373 A N -0.245 122.626 122.820 0.085 0.000 1.877 373 A HA -0.157 4.163 4.320 -0.000 0.000 0.216 373 A C 2.134 179.752 177.584 0.056 0.000 1.186 373 A CA 1.849 53.947 52.037 0.102 0.000 0.620 373 A CB -0.426 18.674 19.000 0.166 0.000 0.822 373 A HN 0.533 nan 8.150 nan 0.000 0.443 374 K N -0.474 119.871 120.400 -0.091 0.000 2.002 374 K HA -0.012 4.308 4.320 -0.000 0.000 0.209 374 K C 1.869 178.321 176.600 -0.246 0.000 1.048 374 K CA 1.440 57.597 56.287 -0.216 0.000 0.930 374 K CB -0.381 31.876 32.500 -0.406 0.000 0.714 374 K HN 0.441 nan 8.250 nan 0.000 0.438 375 L N -0.352 120.683 121.223 -0.313 0.000 2.131 375 L HA -0.121 4.219 4.340 -0.000 0.000 0.210 375 L C 1.175 177.711 176.870 -0.557 0.000 1.092 375 L CA 0.938 55.481 54.840 -0.495 0.000 0.759 375 L CB -0.062 41.597 42.059 -0.667 0.000 0.903 375 L HN 0.103 nan 8.230 nan 0.000 0.435 376 F N -0.195 119.708 119.950 -0.078 0.000 2.750 376 F HA 0.337 4.864 4.527 -0.000 0.000 0.297 376 F C 1.464 177.227 175.800 -0.062 0.000 1.138 376 F CA -0.227 57.734 58.000 -0.066 0.000 1.346 376 F CB -0.207 38.736 39.000 -0.094 0.000 0.965 376 F HN 0.043 nan 8.300 nan 0.000 0.514 377 G N 1.133 109.956 108.800 0.039 0.000 2.338 377 G HA2 -0.330 3.629 3.960 -0.000 0.000 0.296 377 G HA3 -0.330 3.629 3.960 -0.000 0.000 0.296 377 G C 0.583 175.487 174.900 0.007 0.000 1.040 377 G CA 0.601 45.710 45.100 0.015 0.000 1.004 377 G HN 0.472 nan 8.290 nan 0.000 0.509 378 M N -1.483 118.138 119.600 0.034 0.000 2.300 378 M HA 0.387 4.867 4.480 -0.000 0.000 0.313 378 M C 0.471 176.790 176.300 0.031 0.000 0.988 378 M CA -0.220 55.078 55.300 -0.003 0.000 1.012 378 M CB 0.804 33.394 32.600 -0.017 0.000 1.586 378 M HN 0.256 nan 8.290 nan 0.000 0.562 379 F N 3.037 122.939 119.950 -0.080 0.000 2.425 379 F HA 0.470 4.997 4.527 -0.000 0.000 0.331 379 F C -1.564 174.190 175.800 -0.078 0.000 1.085 379 F CA -1.756 56.197 58.000 -0.078 0.000 1.028 379 F CB 1.186 40.137 39.000 -0.083 0.000 1.177 379 F HN -0.097 nan 8.300 nan 0.000 0.487 380 P HA 0.096 nan 4.420 nan 0.000 0.257 380 P C 1.039 177.948 177.300 -0.651 0.000 1.325 380 P CA 0.258 62.428 63.100 -1.550 0.000 0.850 380 P CB 0.197 31.049 31.700 -1.414 0.000 1.324 381 R N 0.580 120.869 120.500 -0.351 0.000 2.083 381 R HA -0.041 4.299 4.340 -0.000 0.000 0.237 381 R C 0.740 176.934 176.300 -0.177 0.000 1.137 381 R CA 1.289 57.257 56.100 -0.219 0.000 0.951 381 R CB 0.149 30.354 30.300 -0.159 0.000 0.851 381 R HN 0.238 nan 8.270 nan 0.000 0.434 382 K N -2.403 117.919 120.400 -0.130 0.000 2.346 382 K HA 0.349 4.669 4.320 -0.000 0.000 0.238 382 K C 0.650 177.267 176.600 0.028 0.000 1.039 382 K CA -0.044 56.205 56.287 -0.063 0.000 0.861 382 K CB 1.319 33.789 32.500 -0.049 0.000 1.278 382 K HN 0.232 nan 8.250 nan 0.000 0.460 383 G N -0.239 108.588 108.800 0.045 0.000 2.199 383 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.254 383 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.254 383 G C 0.305 175.280 174.900 0.125 0.000 0.982 383 G CA 0.934 46.101 45.100 0.112 0.000 0.632 383 G HN 0.753 nan 8.290 nan 0.000 0.529 384 T N -1.001 113.602 114.554 0.081 0.000 2.731 384 T HA 0.647 4.997 4.350 -0.000 0.000 0.300 384 T C -1.546 173.162 174.700 0.013 0.000 1.283 384 T CA -0.332 61.815 62.100 0.078 0.000 1.005 384 T CB 1.319 70.307 68.868 0.201 0.000 1.420 384 T HN 0.601 nan 8.240 nan 0.000 0.503 385 I N 2.212 122.798 120.570 0.028 0.000 2.437 385 I HA 0.706 4.876 4.170 -0.000 0.000 0.279 385 I C -0.282 175.862 176.117 0.045 0.000 1.028 385 I CA -0.483 60.829 61.300 0.020 0.000 1.142 385 I CB 1.087 39.100 38.000 0.023 0.000 1.266 385 I HN 0.779 nan 8.210 nan 0.000 0.461 386 A N 4.705 127.529 122.820 0.006 0.000 2.605 386 A HA 0.619 4.939 4.320 -0.000 0.000 0.294 386 A C -0.886 176.679 177.584 -0.031 0.000 1.062 386 A CA -0.579 51.460 52.037 0.002 0.000 0.682 386 A CB 1.247 20.242 19.000 -0.007 0.000 1.278 386 A HN 0.200 nan 8.150 nan 0.000 0.410 387 V N 1.474 121.371 119.914 -0.028 0.000 2.644 387 V HA 0.361 4.481 4.120 -0.000 0.000 0.305 387 V C 1.689 177.745 176.094 -0.063 0.000 1.053 387 V CA 2.253 64.530 62.300 -0.039 0.000 1.186 387 V CB 0.253 32.055 31.823 -0.035 0.000 0.895 387 V HN 2.507 nan 8.190 nan 0.000 0.490 388 G N 3.642 112.402 108.800 -0.066 0.000 2.217 388 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.246 388 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.246 388 G C 0.354 175.188 174.900 -0.109 0.000 0.990 388 G CA 0.164 45.214 45.100 -0.084 0.000 0.627 388 G HN 0.761 nan 8.290 nan 0.000 0.522 389 S N 0.889 116.521 115.700 -0.113 0.000 2.632 389 S HA 0.530 5.000 4.470 -0.000 0.000 0.271 389 S C -0.091 174.447 174.600 -0.103 0.000 1.260 389 S CA -0.555 57.564 58.200 -0.135 0.000 1.010 389 S CB 1.119 64.234 63.200 -0.141 0.000 0.965 389 S HN 0.316 nan 8.310 nan 0.000 0.534 390 D N 1.648 121.983 120.400 -0.108 0.000 2.443 390 D HA 0.259 4.899 4.640 -0.000 0.000 0.239 390 D C 0.127 176.379 176.300 -0.081 0.000 1.136 390 D CA 0.160 54.106 54.000 -0.091 0.000 0.879 390 D CB 0.493 41.236 40.800 -0.094 0.000 1.195 390 D HN 0.557 nan 8.370 nan 0.000 0.443 391 A N 2.511 125.284 122.820 -0.078 0.000 3.029 391 A HA 0.075 4.395 4.320 -0.000 0.000 0.251 391 A C -0.372 177.156 177.584 -0.092 0.000 1.749 391 A CA -0.316 51.673 52.037 -0.081 0.000 1.386 391 A CB -0.479 18.469 19.000 -0.086 0.000 1.043 391 A HN 0.280 nan 8.150 nan 0.000 0.638 392 D N 0.985 121.337 120.400 -0.080 0.000 2.441 392 D HA 0.489 5.129 4.640 -0.000 0.000 0.221 392 D C -0.300 175.959 176.300 -0.069 0.000 1.156 392 D CA 0.528 54.482 54.000 -0.076 0.000 0.896 392 D CB 0.400 41.160 40.800 -0.066 0.000 1.028 392 D HN 0.426 nan 8.370 nan 0.000 0.509 393 I N 1.199 121.721 120.570 -0.079 0.000 2.608 393 I HA 0.388 4.558 4.170 -0.000 0.000 0.295 393 I C -0.521 175.570 176.117 -0.043 0.000 1.049 393 I CA -1.176 60.088 61.300 -0.061 0.000 1.063 393 I CB 2.392 40.352 38.000 -0.067 0.000 1.248 393 I HN -0.123 nan 8.210 nan 0.000 0.424 394 V N 6.432 126.342 119.914 -0.007 0.000 2.555 394 V HA 0.461 4.581 4.120 -0.000 0.000 0.302 394 V C -0.161 175.985 176.094 0.086 0.000 1.038 394 V CA -0.506 61.818 62.300 0.041 0.000 0.887 394 V CB 2.141 33.998 31.823 0.056 0.000 0.991 394 V HN 0.456 nan 8.190 nan 0.000 0.434 395 I N 5.199 125.833 120.570 0.107 0.000 2.330 395 I HA 0.342 4.512 4.170 -0.000 0.000 0.286 395 I C -0.841 175.378 176.117 0.170 0.000 1.025 395 I CA -0.166 61.205 61.300 0.118 0.000 1.197 395 I CB 0.797 38.844 38.000 0.078 0.000 1.358 395 I HN 0.477 nan 8.210 nan 0.000 0.467 396 F N 6.195 126.154 119.950 0.015 0.000 2.415 396 F HA 0.323 4.850 4.527 -0.000 0.000 0.348 396 F C 0.225 175.967 175.800 -0.095 0.000 1.119 396 F CA -0.584 57.407 58.000 -0.016 0.000 1.069 396 F CB 0.900 39.911 39.000 0.018 0.000 1.124 396 F HN 0.340 nan 8.300 nan 0.000 0.472 397 D N 8.497 128.545 120.400 -0.586 0.000 2.428 397 D HA 0.228 4.868 4.640 -0.000 0.000 0.221 397 D C -1.853 173.996 176.300 -0.751 0.000 1.123 397 D CA -2.259 51.442 54.000 -0.499 0.000 0.869 397 D CB 1.581 42.209 40.800 -0.286 0.000 1.032 397 D HN 0.292 nan 8.370 nan 0.000 0.506 398 P HA -0.082 nan 4.420 nan 0.000 0.233 398 P C 0.744 177.863 177.300 -0.302 0.000 1.167 398 P CA 0.549 63.326 63.100 -0.538 0.000 0.770 398 P CB 0.334 31.758 31.700 -0.461 0.000 0.837 399 H N -0.737 118.269 119.070 -0.107 0.000 2.548 399 H HA 0.122 4.678 4.556 -0.000 0.000 0.268 399 H C 0.831 176.195 175.328 0.060 0.000 0.975 399 H CA 0.072 56.115 56.048 -0.007 0.000 1.195 399 H CB -0.189 29.541 29.762 -0.054 0.000 1.397 399 H HN 0.010 nan 8.280 nan 0.000 0.572 400 V N 2.333 122.292 119.914 0.075 0.000 2.811 400 V HA 0.063 4.183 4.120 -0.000 0.000 0.302 400 V C 0.771 176.894 176.094 0.049 0.000 1.063 400 V CA -0.138 62.185 62.300 0.039 0.000 1.088 400 V CB 1.609 33.401 31.823 -0.052 0.000 0.982 400 V HN 0.080 nan 8.190 nan 0.000 0.485 401 K N 5.546 125.922 120.400 -0.041 0.000 2.376 401 K HA 0.587 4.907 4.320 -0.000 0.000 0.257 401 K C -0.630 175.875 176.600 -0.158 0.000 0.939 401 K CA -0.606 55.539 56.287 -0.238 0.000 0.809 401 K CB 1.704 34.055 32.500 -0.247 0.000 1.121 401 K HN 0.974 nan 8.250 nan 0.000 0.425 402 R N 0.499 120.898 120.500 -0.168 0.000 2.795 402 R HA 0.540 4.880 4.340 -0.000 0.000 0.268 402 R C -1.065 175.189 176.300 -0.077 0.000 1.041 402 R CA -0.865 55.182 56.100 -0.088 0.000 0.927 402 R CB 1.021 31.298 30.300 -0.038 0.000 1.235 402 R HN 0.279 nan 8.270 nan 0.000 0.463 403 T N 1.644 116.176 114.554 -0.037 0.000 2.823 403 T HA 0.417 4.767 4.350 -0.000 0.000 0.279 403 T C -0.154 174.556 174.700 0.017 0.000 0.998 403 T CA -0.736 61.356 62.100 -0.014 0.000 0.994 403 T CB 1.083 69.943 68.868 -0.013 0.000 0.960 403 T HN 0.274 nan 8.240 nan 0.000 0.448 404 L N 2.779 124.031 121.223 0.049 0.000 2.305 404 L HA 0.651 4.991 4.340 -0.000 0.000 0.281 404 L C 0.502 177.416 176.870 0.074 0.000 1.085 404 L CA -0.166 54.727 54.840 0.087 0.000 0.813 404 L CB 1.187 43.334 42.059 0.148 0.000 1.157 404 L HN 0.618 nan 8.230 nan 0.000 0.436 405 S N 1.310 117.030 115.700 0.034 0.000 2.565 405 S HA 0.191 4.661 4.470 -0.000 0.000 0.269 405 S C 0.203 174.690 174.600 -0.190 0.000 1.153 405 S CA -0.520 57.659 58.200 -0.035 0.000 0.835 405 S CB 1.863 65.035 63.200 -0.047 0.000 1.122 405 S HN 0.375 nan 8.310 nan 0.000 0.462 406 V N 2.559 122.304 119.914 -0.280 0.000 2.626 406 V HA 0.023 4.143 4.120 -0.000 0.000 0.252 406 V C 1.793 177.567 176.094 -0.532 0.000 1.067 406 V CA 2.511 64.418 62.300 -0.653 0.000 1.081 406 V CB -0.677 30.959 31.823 -0.312 0.000 0.686 406 V HN 0.908 nan 8.190 nan 0.000 0.468 407 E N 0.485 120.525 120.200 -0.267 0.000 2.409 407 E HA -0.076 4.274 4.350 -0.000 0.000 0.198 407 E C 1.686 178.174 176.600 -0.187 0.000 1.024 407 E CA 1.422 57.712 56.400 -0.182 0.000 0.861 407 E CB -0.040 29.596 29.700 -0.107 0.000 0.788 407 E HN 0.892 nan 8.360 nan 0.000 0.521 408 T N -3.497 110.931 114.554 -0.210 0.000 3.192 408 T HA 0.092 4.441 4.350 -0.000 0.000 0.295 408 T C 0.434 174.993 174.700 -0.234 0.000 0.947 408 T CA -0.568 61.416 62.100 -0.193 0.000 0.916 408 T CB -0.574 68.237 68.868 -0.096 0.000 1.169 408 T HN 0.338 nan 8.240 nan 0.000 0.540 409 H N -0.188 118.740 119.070 -0.237 0.000 2.509 409 H HA 0.493 5.049 4.556 -0.000 0.000 0.359 409 H C 0.154 175.204 175.328 -0.464 0.000 1.253 409 H CA -0.639 55.284 56.048 -0.209 0.000 1.373 409 H CB 0.766 30.496 29.762 -0.052 0.000 1.555 409 H HN 0.128 nan 8.280 nan 0.000 0.586 410 H N -0.208 118.792 119.070 -0.116 0.000 2.755 410 H HA 0.236 4.792 4.556 -0.000 0.000 0.273 410 H C 0.118 175.280 175.328 -0.277 0.000 1.055 410 H CA -0.335 55.552 56.048 -0.269 0.000 1.191 410 H CB 0.195 29.619 29.762 -0.563 0.000 1.536 410 H HN 0.432 nan 8.280 nan 0.000 0.529 411 M N 0.832 120.201 119.600 -0.384 0.000 2.245 411 M HA -0.019 4.461 4.480 -0.000 0.000 0.344 411 M C 0.702 176.872 176.300 -0.217 0.000 1.170 411 M CA 0.492 55.569 55.300 -0.373 0.000 1.135 411 M CB 0.564 32.842 32.600 -0.537 0.000 1.574 411 M HN 0.279 nan 8.290 nan 0.000 0.452 412 N N 2.553 121.190 118.700 -0.106 0.000 3.115 412 N HA 0.224 4.964 4.740 -0.000 0.000 0.305 412 N C -1.570 173.940 175.510 -0.000 0.000 1.305 412 N CA -0.375 52.658 53.050 -0.029 0.000 1.154 412 N CB 0.188 38.666 38.487 -0.015 0.000 1.454 412 N HN 0.307 nan 8.380 nan 0.000 0.551 413 V N 0.742 120.671 119.914 0.025 0.000 3.007 413 V HA 0.112 4.232 4.120 -0.000 0.000 0.311 413 V C 0.303 176.497 176.094 0.166 0.000 1.120 413 V CA -0.878 61.458 62.300 0.059 0.000 0.980 413 V CB 1.947 33.731 31.823 -0.066 0.000 1.033 413 V HN 0.289 nan 8.190 nan 0.000 0.429 414 D N 0.365 120.888 120.400 0.204 0.000 2.352 414 D HA 0.032 4.672 4.640 -0.000 0.000 0.232 414 D C -0.036 176.435 176.300 0.285 0.000 1.055 414 D CA 0.556 54.693 54.000 0.228 0.000 0.891 414 D CB -0.170 40.773 40.800 0.238 0.000 0.897 414 D HN 0.643 nan 8.370 nan 0.000 0.529 415 Y N -2.579 117.785 120.300 0.106 0.000 2.656 415 Y HA 0.545 5.095 4.550 -0.000 0.000 0.334 415 Y C -1.806 174.171 175.900 0.127 0.000 1.179 415 Y CA -1.662 56.457 58.100 0.032 0.000 1.050 415 Y CB 0.750 39.170 38.460 -0.066 0.000 1.308 415 Y HN -0.178 nan 8.280 nan 0.000 0.456 416 N N 2.857 121.590 118.700 0.055 0.000 2.346 416 N HA 0.363 5.103 4.740 -0.000 0.000 0.289 416 N C -2.326 173.228 175.510 0.073 0.000 1.027 416 N CA -2.478 50.594 53.050 0.037 0.000 0.864 416 N CB 2.811 41.397 38.487 0.165 0.000 1.370 416 N HN 0.596 nan 8.380 nan 0.000 0.481 417 P HA -0.030 nan 4.420 nan 0.000 0.225 417 P C 0.273 177.471 177.300 -0.170 0.000 1.148 417 P CA 0.956 64.004 63.100 -0.087 0.000 0.779 417 P CB 0.013 31.566 31.700 -0.246 0.000 0.780 418 F N -0.434 119.641 119.950 0.209 0.000 2.684 418 F HA 0.291 4.818 4.527 -0.000 0.000 0.298 418 F C 0.895 176.769 175.800 0.124 0.000 1.120 418 F CA -1.291 56.807 58.000 0.163 0.000 1.332 418 F CB -0.782 38.293 39.000 0.125 0.000 0.986 418 F HN -0.186 nan 8.300 nan 0.000 0.524 419 E N 1.211 121.543 120.200 0.219 0.000 2.868 419 E HA 0.213 4.563 4.350 -0.000 0.000 0.246 419 E C 1.356 178.030 176.600 0.122 0.000 0.962 419 E CA 1.033 57.518 56.400 0.141 0.000 0.955 419 E CB -0.224 29.536 29.700 0.100 0.000 0.903 419 E HN 0.579 nan 8.360 nan 0.000 0.524 420 G N 3.727 112.582 108.800 0.093 0.000 2.159 420 G HA2 -0.337 3.622 3.960 -0.000 0.000 0.256 420 G HA3 -0.337 3.622 3.960 -0.000 0.000 0.256 420 G C 0.322 175.268 174.900 0.076 0.000 0.977 420 G CA 0.241 45.381 45.100 0.067 0.000 0.652 420 G HN 0.584 nan 8.290 nan 0.000 0.531 421 M N 1.238 120.906 119.600 0.113 0.000 2.211 421 M HA 0.469 4.949 4.480 -0.000 0.000 0.356 421 M C 0.246 176.573 176.300 0.044 0.000 1.216 421 M CA -0.178 55.182 55.300 0.100 0.000 1.134 421 M CB 0.419 33.114 32.600 0.158 0.000 1.564 421 M HN 0.248 nan 8.290 nan 0.000 0.463 422 E N 2.818 123.026 120.200 0.013 0.000 2.283 422 E HA 0.472 4.822 4.350 -0.000 0.000 0.278 422 E C -1.279 175.285 176.600 -0.059 0.000 1.027 422 E CA -0.545 55.827 56.400 -0.046 0.000 0.843 422 E CB 2.309 31.969 29.700 -0.067 0.000 1.062 422 E HN 0.515 nan 8.360 nan 0.000 0.401 423 V N 3.427 123.271 119.914 -0.117 0.000 3.159 423 V HA 0.431 4.550 4.120 -0.000 0.000 0.308 423 V C -1.932 174.057 176.094 -0.174 0.000 1.190 423 V CA -0.625 61.639 62.300 -0.060 0.000 1.037 423 V CB 1.772 33.609 31.823 0.025 0.000 1.060 423 V HN 0.607 nan 8.190 nan 0.000 0.437 424 Y N 1.787 122.147 120.300 0.101 0.000 2.468 424 Y HA 0.797 5.347 4.550 -0.000 0.000 0.342 424 Y C 0.587 176.605 175.900 0.197 0.000 1.021 424 Y CA 0.421 58.599 58.100 0.129 0.000 1.079 424 Y CB 2.125 40.674 38.460 0.147 0.000 1.226 424 Y HN 1.209 nan 8.280 nan 0.000 0.460 425 G N 2.438 111.322 108.800 0.140 0.000 2.785 425 G HA2 0.139 4.098 3.960 -0.000 0.000 0.686 425 G HA3 0.139 4.098 3.960 -0.000 0.000 0.686 425 G C -1.111 173.590 174.900 -0.332 0.000 1.155 425 G CA -0.394 44.510 45.100 -0.328 0.000 0.760 425 G HN 0.898 nan 8.290 nan 0.000 0.624 426 E N -0.426 119.402 120.200 -0.620 0.000 2.390 426 E HA 0.636 4.986 4.350 -0.000 0.000 0.277 426 E C -0.665 175.800 176.600 -0.225 0.000 0.939 426 E CA -1.273 54.989 56.400 -0.230 0.000 0.769 426 E CB 1.959 31.599 29.700 -0.099 0.000 1.251 426 E HN 0.851 nan 8.360 nan 0.000 0.450 427 V N 3.184 123.135 119.914 0.063 0.000 2.455 427 V HA 0.063 4.183 4.120 -0.000 0.000 0.273 427 V C 0.933 177.068 176.094 0.068 0.000 1.045 427 V CA -0.313 62.071 62.300 0.140 0.000 0.976 427 V CB 0.805 32.738 31.823 0.183 0.000 0.993 427 V HN 0.731 nan 8.190 nan 0.000 0.475 428 V N 3.491 123.432 119.914 0.046 0.000 2.326 428 V HA 0.061 4.181 4.120 -0.000 0.000 0.238 428 V C 0.933 177.058 176.094 0.052 0.000 1.038 428 V CA 1.162 63.482 62.300 0.034 0.000 1.032 428 V CB 0.176 32.007 31.823 0.013 0.000 0.675 428 V HN 0.818 nan 8.190 nan 0.000 0.467 429 S N -1.112 114.638 115.700 0.084 0.000 2.570 429 S HA 0.755 5.225 4.470 -0.000 0.000 0.286 429 S C -1.031 173.633 174.600 0.107 0.000 1.099 429 S CA -0.408 57.876 58.200 0.140 0.000 0.913 429 S CB 2.616 65.994 63.200 0.297 0.000 1.085 429 S HN 0.063 nan 8.310 nan 0.000 0.480 430 V N 2.592 122.565 119.914 0.097 0.000 2.668 430 V HA 0.493 4.613 4.120 -0.000 0.000 0.304 430 V C -1.215 174.846 176.094 -0.055 0.000 1.071 430 V CA -0.565 61.737 62.300 0.004 0.000 0.894 430 V CB 1.503 33.304 31.823 -0.036 0.000 1.008 430 V HN 0.712 nan 8.190 nan 0.000 0.425 431 L N 3.164 124.303 121.223 -0.141 0.000 2.322 431 L HA 0.701 5.041 4.340 -0.000 0.000 0.281 431 L C 0.133 176.924 176.870 -0.133 0.000 1.014 431 L CA -0.228 54.476 54.840 -0.227 0.000 0.815 431 L CB 2.069 43.922 42.059 -0.343 0.000 1.247 431 L HN 0.657 nan 8.230 nan 0.000 0.421 432 S N 3.393 119.028 115.700 -0.108 0.000 2.566 432 S HA 0.443 4.912 4.470 -0.000 0.000 0.324 432 S C 0.134 174.690 174.600 -0.073 0.000 1.081 432 S CA -0.548 57.612 58.200 -0.068 0.000 1.105 432 S CB 0.219 63.403 63.200 -0.026 0.000 0.981 432 S HN 0.663 nan 8.310 nan 0.000 0.464 433 R N 3.232 123.686 120.500 -0.077 0.000 3.251 433 R HA -0.226 4.114 4.340 -0.000 0.000 0.249 433 R C 1.166 177.416 176.300 -0.082 0.000 0.949 433 R CA 0.785 56.841 56.100 -0.074 0.000 0.645 433 R CB -1.960 28.305 30.300 -0.058 0.000 1.065 433 R HN 1.406 nan 8.270 nan 0.000 0.452 434 G N -1.290 107.443 108.800 -0.112 0.000 2.234 434 G HA2 -0.382 3.578 3.960 -0.000 0.000 0.260 434 G HA3 -0.382 3.578 3.960 -0.000 0.000 0.260 434 G C -0.033 174.765 174.900 -0.170 0.000 0.987 434 G CA 0.382 45.404 45.100 -0.131 0.000 0.625 434 G HN 0.940 nan 8.290 nan 0.000 0.532 435 S N 0.063 115.673 115.700 -0.150 0.000 2.500 435 S HA 0.752 5.222 4.470 -0.000 0.000 0.301 435 S C -0.134 174.382 174.600 -0.140 0.000 1.092 435 S CA -0.996 57.128 58.200 -0.127 0.000 1.030 435 S CB 1.804 64.983 63.200 -0.035 0.000 1.031 435 S HN 0.483 nan 8.310 nan 0.000 0.483 436 F N 1.733 121.646 119.950 -0.062 0.000 2.629 436 F HA 0.127 4.654 4.527 -0.000 0.000 0.377 436 F C 1.467 177.187 175.800 -0.133 0.000 1.101 436 F CA 0.391 58.338 58.000 -0.089 0.000 1.301 436 F CB 0.689 39.635 39.000 -0.090 0.000 1.062 436 F HN 0.539 nan 8.300 nan 0.000 0.583 437 V N 3.840 123.785 119.914 0.052 0.000 3.219 437 V HA 0.299 4.419 4.120 -0.000 0.000 0.240 437 V C -0.220 175.789 176.094 -0.141 0.000 1.222 437 V CA 0.555 62.810 62.300 -0.076 0.000 1.181 437 V CB 0.845 32.664 31.823 -0.007 0.000 0.941 437 V HN 0.377 nan 8.190 nan 0.000 0.471 438 V N 1.809 121.683 119.914 -0.066 0.000 2.638 438 V HA 0.594 4.714 4.120 -0.000 0.000 0.306 438 V C -0.532 175.563 176.094 0.003 0.000 1.052 438 V CA -0.626 61.576 62.300 -0.162 0.000 0.885 438 V CB 1.807 33.390 31.823 -0.400 0.000 0.999 438 V HN 0.443 nan 8.190 nan 0.000 0.424 439 R N 3.061 123.511 120.500 -0.083 0.000 2.514 439 R HA 0.404 4.744 4.340 -0.000 0.000 0.296 439 R C -0.683 175.550 176.300 -0.111 0.000 1.012 439 R CA -0.390 55.603 56.100 -0.178 0.000 0.897 439 R CB 1.148 31.120 30.300 -0.547 0.000 1.184 439 R HN 0.832 nan 8.270 nan 0.000 0.440 440 D N 4.164 124.524 120.400 -0.066 0.000 2.751 440 D HA -0.211 4.429 4.640 -0.000 0.000 0.233 440 D C -0.562 175.758 176.300 0.033 0.000 1.149 440 D CA 1.690 55.675 54.000 -0.025 0.000 0.682 440 D CB -0.381 40.386 40.800 -0.054 0.000 1.068 440 D HN 0.866 nan 8.370 nan 0.000 0.429 441 K N -2.412 118.028 120.400 0.067 0.000 3.391 441 K HA -0.208 4.112 4.320 -0.000 0.000 0.307 441 K C 0.016 176.790 176.600 0.291 0.000 1.304 441 K CA 0.983 57.381 56.287 0.184 0.000 0.904 441 K CB -0.665 31.941 32.500 0.177 0.000 1.293 441 K HN 0.310 nan 8.250 nan 0.000 0.470 442 Q N 0.034 119.932 119.800 0.164 0.000 2.309 442 Q HA 0.342 4.682 4.340 -0.000 0.000 0.264 442 Q C -0.665 175.441 176.000 0.177 0.000 1.008 442 Q CA -0.657 55.275 55.803 0.214 0.000 0.853 442 Q CB 1.217 30.012 28.738 0.095 0.000 1.314 442 Q HN 0.127 nan 8.270 nan 0.000 0.448 443 F N 2.797 122.854 119.950 0.178 0.000 2.445 443 F HA 0.209 4.736 4.527 -0.000 0.000 0.359 443 F C 0.587 176.425 175.800 0.063 0.000 1.101 443 F CA -0.436 57.603 58.000 0.066 0.000 1.177 443 F CB 0.538 39.699 39.000 0.267 0.000 1.110 443 F HN 0.263 nan 8.300 nan 0.000 0.522 444 V N 3.683 123.255 119.914 -0.570 0.000 3.252 444 V HA 0.558 4.678 4.120 -0.000 0.000 0.320 444 V C 0.648 176.402 176.094 -0.567 0.000 1.459 444 V CA 0.340 62.377 62.300 -0.438 0.000 1.095 444 V CB -0.315 31.383 31.823 -0.209 0.000 0.997 444 V HN 0.827 nan 8.190 nan 0.000 0.469 445 G N 1.155 109.277 108.800 -1.131 0.000 2.537 445 G HA2 0.646 4.606 3.960 -0.000 0.000 0.297 445 G HA3 0.646 4.606 3.960 -0.000 0.000 0.297 445 G C -0.737 173.912 174.900 -0.418 0.000 1.310 445 G CA -0.438 44.286 45.100 -0.627 0.000 1.027 445 G HN 0.741 nan 8.290 nan 0.000 0.505 446 Q N -1.293 118.513 119.800 0.010 0.000 2.397 446 Q HA 0.686 5.026 4.340 -0.000 0.000 0.275 446 Q C -0.539 175.651 176.000 0.318 0.000 1.090 446 Q CA -1.083 54.834 55.803 0.191 0.000 0.809 446 Q CB 2.069 30.860 28.738 0.087 0.000 1.362 446 Q HN 0.731 nan 8.270 nan 0.000 0.431 447 A N 1.030 124.065 122.820 0.357 0.000 2.540 447 A HA 0.460 4.780 4.320 -0.000 0.000 0.239 447 A C 1.307 179.004 177.584 0.188 0.000 1.061 447 A CA 0.918 53.148 52.037 0.321 0.000 0.758 447 A CB -0.821 18.166 19.000 -0.021 0.000 0.991 447 A HN 1.676 nan 8.150 nan 0.000 0.502 448 G N 0.917 109.840 108.800 0.205 0.000 2.195 448 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.246 448 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.246 448 G C 1.362 176.353 174.900 0.153 0.000 0.984 448 G CA 1.137 46.329 45.100 0.152 0.000 0.633 448 G HN 2.051 nan 8.290 nan 0.000 0.525 449 S N 0.311 116.106 115.700 0.159 0.000 2.423 449 S HA 0.366 4.836 4.470 -0.000 0.000 0.231 449 S C 1.648 176.327 174.600 0.132 0.000 1.014 449 S CA 1.272 59.545 58.200 0.122 0.000 0.965 449 S CB -0.235 63.026 63.200 0.102 0.000 0.785 449 S HN 1.759 nan 8.310 nan 0.000 0.495 450 G N 1.602 110.516 108.800 0.190 0.000 2.483 450 G HA2 0.467 4.427 3.960 -0.000 0.000 0.248 450 G HA3 0.467 4.427 3.960 -0.000 0.000 0.248 450 G C -0.444 174.606 174.900 0.250 0.000 1.248 450 G CA -0.701 44.530 45.100 0.218 0.000 0.838 450 G HN 0.681 nan 8.290 nan 0.000 0.566 451 Q N -0.146 119.708 119.800 0.091 0.000 2.416 451 Q HA 0.485 4.825 4.340 -0.000 0.000 0.279 451 Q C -1.307 174.394 176.000 -0.499 0.000 1.101 451 Q CA -1.162 54.614 55.803 -0.045 0.000 0.830 451 Q CB 1.807 30.520 28.738 -0.042 0.000 1.402 451 Q HN 0.519 nan 8.270 nan 0.000 0.445 452 Y N 1.339 121.223 120.300 -0.693 0.000 2.425 452 Y HA 0.344 4.894 4.550 -0.000 0.000 0.331 452 Y C -0.812 174.775 175.900 -0.522 0.000 1.157 452 Y CA -0.435 57.100 58.100 -0.941 0.000 1.372 452 Y CB 0.594 38.792 38.460 -0.436 0.000 1.253 452 Y HN 0.534 nan 8.280 nan 0.000 0.536 453 I N 7.294 127.102 120.570 -1.269 0.000 2.312 453 I HA 0.250 4.419 4.170 -0.000 0.000 0.290 453 I C -0.376 175.106 176.117 -1.058 0.000 1.008 453 I CA -0.686 60.080 61.300 -0.889 0.000 1.226 453 I CB 0.828 38.476 38.000 -0.587 0.000 1.371 453 I HN 0.455 nan 8.210 nan 0.000 0.468 454 K N 7.185 127.223 120.400 -0.604 0.000 2.316 454 K HA 0.403 4.723 4.320 -0.000 0.000 0.289 454 K C -0.386 176.080 176.600 -0.224 0.000 1.070 454 K CA -0.461 55.629 56.287 -0.328 0.000 0.928 454 K CB 0.853 33.291 32.500 -0.103 0.000 1.039 454 K HN 0.484 nan 8.250 nan 0.000 0.480 455 R N 0.865 121.263 120.500 -0.170 0.000 2.536 455 R HA 0.215 4.555 4.340 -0.000 0.000 0.279 455 R C 0.411 176.692 176.300 -0.032 0.000 1.001 455 R CA -0.597 55.445 56.100 -0.096 0.000 1.027 455 R CB 1.154 31.408 30.300 -0.078 0.000 1.096 455 R HN 0.623 nan 8.270 nan 0.000 0.502 456 T N -1.919 112.623 114.554 -0.020 0.000 2.881 456 T HA 0.242 4.592 4.350 -0.000 0.000 0.278 456 T C 0.603 175.316 174.700 0.023 0.000 0.982 456 T CA -0.902 61.196 62.100 -0.003 0.000 0.989 456 T CB 1.189 70.046 68.868 -0.018 0.000 1.058 456 T HN 0.653 nan 8.240 nan 0.000 0.529 457 T N -0.160 114.412 114.554 0.030 0.000 2.856 457 T HA 0.308 4.658 4.350 -0.000 0.000 0.306 457 T C -0.053 174.689 174.700 0.070 0.000 1.062 457 T CA -0.843 61.296 62.100 0.066 0.000 1.083 457 T CB -0.106 68.798 68.868 0.061 0.000 0.984 457 T HN 0.571 nan 8.240 nan 0.000 0.542 458 F N 2.066 122.002 119.950 -0.024 0.000 2.553 458 F HA 0.377 4.904 4.527 -0.000 0.000 0.356 458 F C 0.588 176.368 175.800 -0.033 0.000 1.142 458 F CA 0.125 58.099 58.000 -0.045 0.000 1.322 458 F CB 0.275 39.250 39.000 -0.040 0.000 1.126 458 F HN 0.962 nan 8.300 nan 0.000 0.599 459 E N 3.583 122.938 120.200 -1.409 0.000 2.389 459 E HA 0.341 4.691 4.350 -0.000 0.000 0.281 459 E C -1.507 174.458 176.600 -1.058 0.000 1.072 459 E CA -1.102 54.692 56.400 -1.010 0.000 0.845 459 E CB 0.849 30.316 29.700 -0.389 0.000 1.239 459 E HN 0.824 nan 8.360 nan 0.000 0.434 460 Q N 0.000 119.456 119.800 -0.574 0.000 2.315 460 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 460 Q CA 0.000 55.615 55.803 -0.313 0.000 1.022 460 Q CB 0.000 28.576 28.738 -0.269 0.000 1.108 460 Q HN 0.000 nan 8.270 nan 0.000 0.481