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 1sid_1_A DATA FIRST_RESID 17 DATA SEQUENCE KACPRPAPVP KLLIKGGMEV LDLVTGPDSV TEIEAFLNPR MGQPPTPESL DATA SEQUENCE TEGGQYYGWS RGINLATSDT EDSPGNNTLP TWSMAKLQLP MLNEDLTCDT DATA SEQUENCE LQMWEAVSVK TEVVGSGSLL DVHGFNKPTD TVNTKGISTP VEGSQYHVFA DATA SEQUENCE VGGEPLDLQG LVTDARTKYK EEGVVTIKTI TKKDMVNKDQ VLNPISKAKL DATA SEQUENCE DKDGMYPVEI WHPDPAKNEN TRYFGNYTGG TTTPPVLQFT NTLTTVLLDE DATA SEQUENCE NGVGPLCKGE GLYLSCVDIM GWRVTRNYDV HHWRGLPRYF KITLRKRWVK DATA SEQUENCE NPYPMASLIS SLFNNMLPQV QGQPMEGENT QVEEVRVYDG TEPVPGDPDM DATA SEQUENCE TRYVDRFGKT KTVFPG 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 17 K HA 0.000 nan 4.320 nan 0.000 0.191 17 K C 0.000 176.601 176.600 0.002 0.000 0.988 17 K CA 0.000 56.288 56.287 0.002 0.000 0.838 17 K CB 0.000 32.501 32.500 0.002 0.000 1.064 18 A N -0.167 122.654 122.820 0.002 0.000 3.963 18 A HA 0.662 4.982 4.320 -0.000 0.000 0.283 18 A C -1.577 176.009 177.584 0.003 0.000 1.085 18 A CA -0.303 51.736 52.037 0.003 0.000 0.591 18 A CB 1.166 20.168 19.000 0.003 0.000 1.632 18 A HN 0.186 nan 8.150 nan 0.000 0.761 19 C N 1.678 120.980 119.300 0.003 0.000 2.609 19 C HA 0.766 5.226 4.460 -0.000 0.000 0.313 19 C C -2.331 172.661 174.990 0.003 0.000 1.175 19 C CA -0.833 58.187 59.018 0.003 0.000 1.434 19 C CB 1.028 28.770 27.740 0.003 0.000 2.005 19 C HN 0.737 nan 8.230 nan 0.000 0.471 20 P HA 0.409 nan 4.420 nan 0.000 0.275 20 P C -1.148 176.154 177.300 0.004 0.000 1.228 20 P CA -0.249 62.853 63.100 0.003 0.000 0.786 20 P CB 0.618 32.319 31.700 0.003 0.000 0.927 21 R N 1.749 122.251 120.500 0.004 0.000 2.312 21 R HA 0.527 4.867 4.340 -0.000 0.000 0.310 21 R C -2.279 174.024 176.300 0.005 0.000 1.064 21 R CA -1.766 54.337 56.100 0.005 0.000 0.983 21 R CB -0.503 29.800 30.300 0.005 0.000 1.139 21 R HN 0.275 nan 8.270 nan 0.000 0.536 22 P HA -0.090 nan 4.420 nan 0.000 0.268 22 P C -0.222 177.081 177.300 0.006 0.000 1.189 22 P CA 0.036 63.139 63.100 0.005 0.000 0.771 22 P CB 0.476 32.179 31.700 0.005 0.000 0.822 23 A N 3.532 126.356 122.820 0.006 0.000 2.531 23 A HA 0.285 4.605 4.320 -0.000 0.000 0.236 23 A C -1.885 175.703 177.584 0.008 0.000 1.062 23 A CA -0.666 51.375 52.037 0.007 0.000 0.760 23 A CB -1.156 17.848 19.000 0.006 0.000 0.995 23 A HN 0.419 nan 8.150 nan 0.000 0.501 24 P HA 0.486 nan 4.420 nan 0.000 0.281 24 P C -0.964 176.343 177.300 0.012 0.000 1.252 24 P CA -0.076 63.031 63.100 0.011 0.000 0.778 24 P CB 1.163 32.870 31.700 0.012 0.000 0.895 25 V N 4.491 124.413 119.914 0.013 0.000 3.007 25 V HA 0.405 4.525 4.120 -0.000 0.000 0.311 25 V C -2.194 173.909 176.094 0.016 0.000 1.120 25 V CA -1.604 60.704 62.300 0.014 0.000 0.980 25 V CB 2.157 33.987 31.823 0.012 0.000 1.033 25 V HN 0.593 nan 8.190 nan 0.000 0.429 26 P HA 0.130 nan 4.420 nan 0.000 0.262 26 P C -0.758 176.553 177.300 0.019 0.000 1.199 26 P CA -0.209 62.903 63.100 0.020 0.000 0.763 26 P CB 0.250 31.963 31.700 0.022 0.000 0.790 27 K N 3.790 124.201 120.400 0.019 0.000 2.339 27 K HA 0.233 4.553 4.320 -0.000 0.000 0.286 27 K C -0.038 176.574 176.600 0.019 0.000 1.050 27 K CA -0.881 55.417 56.287 0.018 0.000 0.956 27 K CB 0.512 33.022 32.500 0.018 0.000 0.990 27 K HN 0.250 nan 8.250 nan 0.000 0.475 28 L N 4.134 125.368 121.223 0.018 0.000 2.467 28 L HA 0.073 4.413 4.340 -0.000 0.000 0.270 28 L C 0.169 177.051 176.870 0.019 0.000 1.205 28 L CA 0.391 55.242 54.840 0.018 0.000 0.828 28 L CB 0.499 42.567 42.059 0.016 0.000 1.101 28 L HN 0.977 nan 8.230 nan 0.000 0.479 29 L N 4.363 125.598 121.223 0.020 0.000 2.653 29 L HA 0.473 4.813 4.340 -0.000 0.000 0.230 29 L C 0.138 177.019 176.870 0.019 0.000 1.055 29 L CA 0.050 54.903 54.840 0.021 0.000 0.880 29 L CB 0.601 42.676 42.059 0.026 0.000 1.195 29 L HN 0.676 nan 8.230 nan 0.000 0.492 30 I N -0.302 120.279 120.570 0.018 0.000 2.614 30 I HA 0.175 4.345 4.170 -0.000 0.000 0.300 30 I C -2.009 174.116 176.117 0.014 0.000 1.825 30 I CA -0.579 60.731 61.300 0.016 0.000 0.951 30 I CB 1.675 39.686 38.000 0.017 0.000 1.487 30 I HN -0.031 nan 8.210 nan 0.000 0.581 31 K N 5.114 125.521 120.400 0.012 0.000 2.522 31 K HA 0.957 5.277 4.320 -0.000 0.000 0.275 31 K C -0.605 176.001 176.600 0.010 0.000 1.006 31 K CA 0.031 56.325 56.287 0.011 0.000 0.890 31 K CB 2.322 34.830 32.500 0.013 0.000 1.475 31 K HN 1.143 nan 8.250 nan 0.000 0.441 32 G N 0.221 109.027 108.800 0.009 0.000 2.272 32 G HA2 0.282 4.242 3.960 -0.000 0.000 0.068 32 G HA3 0.282 4.242 3.960 -0.000 0.000 0.068 32 G C -0.423 174.481 174.900 0.007 0.000 1.073 32 G CA -0.222 44.885 45.100 0.010 0.000 1.154 32 G HN 0.987 nan 8.290 nan 0.000 0.429 33 G N -1.501 107.300 108.800 0.002 0.000 3.075 33 G HA2 0.540 4.500 3.960 -0.000 0.000 0.253 33 G HA3 0.540 4.500 3.960 -0.000 0.000 0.253 33 G C 1.155 176.044 174.900 -0.018 0.000 1.353 33 G CA 0.255 45.351 45.100 -0.006 0.000 1.051 33 G HN 0.407 nan 8.290 nan 0.000 0.553 34 M N 0.796 120.378 119.600 -0.029 0.000 2.143 34 M HA -0.131 4.349 4.480 -0.000 0.000 0.258 34 M C 2.552 178.839 176.300 -0.022 0.000 1.071 34 M CA 1.606 56.882 55.300 -0.039 0.000 1.088 34 M CB -1.137 31.433 32.600 -0.051 0.000 1.360 34 M HN 0.815 nan 8.290 nan 0.000 0.404 35 E N 0.477 120.670 120.200 -0.011 0.000 2.130 35 E HA -0.162 4.188 4.350 -0.000 0.000 0.196 35 E C 1.952 178.556 176.600 0.007 0.000 0.998 35 E CA 1.765 58.165 56.400 -0.000 0.000 0.806 35 E CB -1.351 28.350 29.700 0.002 0.000 0.738 35 E HN 0.375 nan 8.360 nan 0.000 0.459 36 V N 1.579 121.495 119.914 0.003 0.000 2.317 36 V HA -0.305 3.815 4.120 -0.000 0.000 0.251 36 V C 2.685 178.792 176.094 0.023 0.000 1.065 36 V CA 1.996 64.302 62.300 0.010 0.000 1.049 36 V CB -0.742 31.082 31.823 0.003 0.000 0.651 36 V HN 0.134 nan 8.190 nan 0.000 0.450 37 L N 0.278 121.512 121.223 0.019 0.000 2.103 37 L HA -0.266 4.074 4.340 -0.000 0.000 0.215 37 L C 2.097 179.021 176.870 0.089 0.000 1.080 37 L CA 2.121 56.995 54.840 0.057 0.000 0.764 37 L CB -1.144 40.940 42.059 0.042 0.000 0.890 37 L HN 0.355 nan 8.230 nan 0.000 0.435 38 D N -0.795 119.639 120.400 0.057 0.000 2.228 38 D HA -0.115 4.525 4.640 -0.000 0.000 0.203 38 D C 0.990 177.317 176.300 0.045 0.000 0.988 38 D CA 0.456 54.485 54.000 0.049 0.000 0.864 38 D CB -0.332 40.486 40.800 0.030 0.000 0.928 38 D HN 0.053 nan 8.370 nan 0.000 0.469 39 L N 1.109 122.358 121.223 0.044 0.000 2.514 39 L HA -0.039 4.301 4.340 -0.000 0.000 0.280 39 L C -0.068 176.828 176.870 0.043 0.000 1.223 39 L CA -0.052 54.811 54.840 0.038 0.000 0.864 39 L CB 0.622 42.703 42.059 0.037 0.000 1.118 39 L HN -0.208 nan 8.230 nan 0.000 0.494 40 V N 6.081 126.012 119.914 0.029 0.000 2.304 40 V HA -0.050 4.070 4.120 -0.000 0.000 0.239 40 V C 1.647 177.756 176.094 0.026 0.000 1.201 40 V CA 0.813 63.125 62.300 0.021 0.000 1.254 40 V CB -1.129 30.703 31.823 0.014 0.000 1.335 40 V HN 1.054 nan 8.190 nan 0.000 0.491 41 T N 1.110 115.687 114.554 0.039 0.000 2.996 41 T HA 0.077 4.426 4.350 -0.000 0.000 0.271 41 T C 1.302 176.018 174.700 0.027 0.000 1.126 41 T CA 0.617 62.749 62.100 0.053 0.000 1.103 41 T CB -0.385 68.555 68.868 0.120 0.000 0.870 41 T HN 1.339 nan 8.240 nan 0.000 0.528 42 G N 2.331 111.133 108.800 0.004 0.000 2.642 42 G HA2 -0.155 3.805 3.960 -0.000 0.000 0.231 42 G HA3 -0.155 3.805 3.960 -0.000 0.000 0.231 42 G C -1.919 172.966 174.900 -0.026 0.000 1.338 42 G CA -0.073 45.031 45.100 0.005 0.000 0.883 42 G HN 0.361 nan 8.290 nan 0.000 0.570 43 P HA 0.249 nan 4.420 nan 0.000 0.245 43 P C 0.362 177.644 177.300 -0.031 0.000 1.146 43 P CA 1.025 64.092 63.100 -0.054 0.000 0.923 43 P CB 0.782 32.510 31.700 0.045 0.000 1.081 44 D N 0.423 120.837 120.400 0.024 0.000 2.342 44 D HA 0.051 4.691 4.640 -0.000 0.000 0.221 44 D C 0.866 177.193 176.300 0.046 0.000 1.101 44 D CA 0.267 54.289 54.000 0.037 0.000 0.837 44 D CB -0.050 40.781 40.800 0.052 0.000 0.938 44 D HN 0.212 nan 8.370 nan 0.000 0.508 45 S N -0.153 115.575 115.700 0.048 0.000 2.580 45 S HA 0.270 4.740 4.470 -0.000 0.000 0.261 45 S C 0.293 174.950 174.600 0.096 0.000 1.366 45 S CA -0.434 57.808 58.200 0.070 0.000 0.996 45 S CB 1.142 64.394 63.200 0.087 0.000 0.902 45 S HN -0.053 nan 8.310 nan 0.000 0.566 46 V N 0.432 120.399 119.914 0.089 0.000 3.012 46 V HA 0.617 4.737 4.120 -0.000 0.000 0.307 46 V C -0.523 175.598 176.094 0.045 0.000 1.166 46 V CA -0.870 61.478 62.300 0.079 0.000 0.974 46 V CB 2.121 33.975 31.823 0.050 0.000 1.040 46 V HN 1.078 nan 8.190 nan 0.000 0.428 47 T N 2.180 116.732 114.554 -0.003 0.000 2.841 47 T HA 0.524 4.874 4.350 -0.000 0.000 0.285 47 T C -0.748 173.898 174.700 -0.091 0.000 0.991 47 T CA -0.571 61.483 62.100 -0.076 0.000 0.966 47 T CB 1.679 70.424 68.868 -0.206 0.000 0.962 47 T HN 0.721 nan 8.240 nan 0.000 0.438 48 E N 2.578 122.739 120.200 -0.064 0.000 2.151 48 E HA 0.516 4.866 4.350 -0.000 0.000 0.275 48 E C -0.715 175.841 176.600 -0.073 0.000 0.936 48 E CA -0.570 55.800 56.400 -0.051 0.000 0.777 48 E CB 1.538 31.231 29.700 -0.011 0.000 1.108 48 E HN 0.521 nan 8.360 nan 0.000 0.401 49 I N 2.842 123.355 120.570 -0.094 0.000 2.468 49 I HA 0.228 4.398 4.170 -0.000 0.000 0.285 49 I C -0.642 175.402 176.117 -0.121 0.000 1.039 49 I CA -0.749 60.486 61.300 -0.108 0.000 1.074 49 I CB 1.749 39.657 38.000 -0.153 0.000 1.228 49 I HN 0.339 nan 8.210 nan 0.000 0.436 50 E N 4.806 124.945 120.200 -0.103 0.000 2.191 50 E HA 0.829 5.179 4.350 -0.000 0.000 0.278 50 E C -0.521 176.021 176.600 -0.097 0.000 0.972 50 E CA -0.339 55.947 56.400 -0.191 0.000 0.804 50 E CB 2.133 31.819 29.700 -0.024 0.000 1.110 50 E HN 0.713 nan 8.360 nan 0.000 0.394 51 A N 1.970 124.720 122.820 -0.116 0.000 2.515 51 A HA 0.849 5.169 4.320 -0.000 0.000 0.299 51 A C -1.730 175.976 177.584 0.204 0.000 1.179 51 A CA -0.818 51.220 52.037 0.003 0.000 0.656 51 A CB 0.951 19.843 19.000 -0.180 0.000 1.306 51 A HN 0.596 nan 8.150 nan 0.000 0.459 52 F N -2.126 117.829 119.950 0.007 0.000 2.719 52 F HA 0.814 5.341 4.527 -0.000 0.000 0.309 52 F C -2.267 173.553 175.800 0.034 0.000 1.138 52 F CA -1.225 56.852 58.000 0.129 0.000 0.943 52 F CB 0.796 39.901 39.000 0.176 0.000 1.304 52 F HN 0.405 nan 8.300 nan 0.000 0.445 53 L N 2.475 123.840 121.223 0.237 0.000 2.365 53 L HA 0.498 4.838 4.340 -0.000 0.000 0.273 53 L C -0.737 176.291 176.870 0.263 0.000 1.000 53 L CA -0.986 53.899 54.840 0.075 0.000 0.819 53 L CB 1.734 43.818 42.059 0.042 0.000 1.284 53 L HN 0.744 nan 8.230 nan 0.000 0.418 54 N N 3.547 122.361 118.700 0.191 0.000 2.498 54 N HA 0.406 5.146 4.740 -0.000 0.000 0.287 54 N C -2.325 173.221 175.510 0.060 0.000 1.097 54 N CA -1.186 51.958 53.050 0.157 0.000 0.973 54 N CB 1.075 39.670 38.487 0.179 0.000 1.153 54 N HN 0.375 nan 8.380 nan 0.000 0.472 55 P HA 0.031 nan 4.420 nan 0.000 0.264 55 P C -1.006 176.247 177.300 -0.078 0.000 1.537 55 P CA 0.247 63.317 63.100 -0.051 0.000 1.189 55 P CB -0.023 31.612 31.700 -0.108 0.000 1.687 56 R N 4.189 124.689 120.500 0.001 0.000 3.266 56 R HA 0.323 4.663 4.340 -0.000 0.000 0.224 56 R C 0.424 176.730 176.300 0.010 0.000 1.525 56 R CA -0.122 56.001 56.100 0.038 0.000 1.364 56 R CB -0.263 30.109 30.300 0.120 0.000 1.276 56 R HN 0.508 nan 8.270 nan 0.000 0.660 57 M N -0.460 119.110 119.600 -0.050 0.000 2.190 57 M HA 0.625 5.105 4.480 -0.000 0.000 0.312 57 M C 0.527 176.784 176.300 -0.071 0.000 0.990 57 M CA -0.630 54.599 55.300 -0.117 0.000 0.927 57 M CB 2.097 34.547 32.600 -0.250 0.000 1.571 57 M HN 0.423 nan 8.290 nan 0.000 0.427 58 G N 2.325 111.099 108.800 -0.044 0.000 2.552 58 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.267 58 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.267 58 G C -0.428 174.545 174.900 0.123 0.000 1.174 58 G CA 0.297 45.419 45.100 0.037 0.000 0.955 58 G HN 1.047 nan 8.290 nan 0.000 0.546 59 Q N 3.923 123.846 119.800 0.205 0.000 2.274 59 Q HA 0.482 4.822 4.340 -0.000 0.000 0.280 59 Q C -1.496 174.692 176.000 0.313 0.000 1.047 59 Q CA -0.488 55.474 55.803 0.266 0.000 0.907 59 Q CB 0.887 29.852 28.738 0.378 0.000 1.171 59 Q HN 0.598 nan 8.270 nan 0.000 0.381 60 P HA 0.165 nan 4.420 nan 0.000 0.276 60 P C -2.347 174.999 177.300 0.077 0.000 1.261 60 P CA -1.332 61.884 63.100 0.194 0.000 0.800 60 P CB 0.865 32.622 31.700 0.094 0.000 1.066 61 P HA -0.284 nan 4.420 nan 0.000 0.202 61 P C 1.438 178.498 177.300 -0.400 0.000 1.149 61 P CA 2.756 65.370 63.100 -0.810 0.000 0.931 61 P CB -1.269 30.146 31.700 -0.476 0.000 0.762 62 T N -1.778 112.649 114.554 -0.211 0.000 2.563 62 T HA -0.207 4.143 4.350 -0.000 0.000 0.218 62 T C -1.416 173.230 174.700 -0.089 0.000 1.379 62 T CA 2.026 64.057 62.100 -0.114 0.000 1.045 62 T CB -3.406 65.427 68.868 -0.057 0.000 0.788 62 T HN 0.212 nan 8.240 nan 0.000 0.483 63 P HA 0.344 nan 4.420 nan 0.000 0.252 63 P C 0.327 177.593 177.300 -0.057 0.000 1.694 63 P CA -0.023 63.049 63.100 -0.047 0.000 1.163 63 P CB -0.157 31.528 31.700 -0.026 0.000 1.934 64 E N -0.112 120.052 120.200 -0.060 0.000 2.265 64 E HA -0.110 4.240 4.350 -0.000 0.000 0.196 64 E C 0.784 177.368 176.600 -0.026 0.000 0.996 64 E CA 0.566 56.937 56.400 -0.048 0.000 0.832 64 E CB 0.028 29.703 29.700 -0.041 0.000 0.756 64 E HN 0.285 nan 8.360 nan 0.000 0.491 65 S N 0.648 116.331 115.700 -0.029 0.000 2.510 65 S HA 0.071 4.541 4.470 -0.000 0.000 0.279 65 S C 0.712 175.288 174.600 -0.041 0.000 1.284 65 S CA -0.501 57.684 58.200 -0.026 0.000 1.059 65 S CB 0.290 63.475 63.200 -0.025 0.000 0.901 65 S HN 0.191 nan 8.310 nan 0.000 0.491 66 L N 4.810 126.015 121.223 -0.029 0.000 2.747 66 L HA 0.156 4.496 4.340 -0.000 0.000 0.248 66 L C 1.562 178.384 176.870 -0.081 0.000 1.191 66 L CA 0.070 54.882 54.840 -0.048 0.000 1.003 66 L CB -1.635 40.424 42.059 0.000 0.000 1.235 66 L HN 0.814 nan 8.230 nan 0.000 0.426 67 T N -6.114 108.392 114.554 -0.080 0.000 3.105 67 T HA 0.097 4.447 4.350 -0.000 0.000 0.257 67 T C 1.415 176.065 174.700 -0.082 0.000 0.949 67 T CA -0.211 61.846 62.100 -0.071 0.000 0.959 67 T CB 0.246 69.094 68.868 -0.034 0.000 1.205 67 T HN 0.218 nan 8.240 nan 0.000 0.496 68 E N 1.315 121.473 120.200 -0.070 0.000 2.122 68 E HA 0.210 4.560 4.350 -0.000 0.000 0.190 68 E C 2.029 178.582 176.600 -0.078 0.000 0.977 68 E CA 0.728 57.095 56.400 -0.055 0.000 0.820 68 E CB -0.038 29.641 29.700 -0.034 0.000 0.770 68 E HN 0.611 nan 8.360 nan 0.000 0.462 69 G N -0.579 108.153 108.800 -0.112 0.000 3.159 69 G HA2 0.212 4.172 3.960 -0.000 0.000 0.232 69 G HA3 0.212 4.172 3.960 -0.000 0.000 0.232 69 G C 1.147 175.821 174.900 -0.376 0.000 1.116 69 G CA 0.237 45.260 45.100 -0.130 0.000 0.767 69 G HN 0.364 nan 8.290 nan 0.000 0.547 70 G N -0.043 108.490 108.800 -0.445 0.000 2.343 70 G HA2 -0.362 3.598 3.960 -0.000 0.000 0.264 70 G HA3 -0.362 3.598 3.960 -0.000 0.000 0.264 70 G C 0.657 175.204 174.900 -0.589 0.000 0.989 70 G CA 0.863 45.509 45.100 -0.757 0.000 0.627 70 G HN 0.924 nan 8.290 nan 0.000 0.549 71 Q N -2.415 117.177 119.800 -0.347 0.000 2.449 71 Q HA -0.167 4.173 4.340 -0.000 0.000 0.351 71 Q C 0.185 176.341 176.000 0.259 0.000 1.456 71 Q CA 1.144 56.958 55.803 0.019 0.000 0.951 71 Q CB -1.947 26.849 28.738 0.097 0.000 1.153 71 Q HN 0.779 nan 8.270 nan 0.000 0.341 72 Y N -1.169 119.308 120.300 0.295 0.000 2.458 72 Y HA 0.119 4.669 4.550 -0.000 0.000 0.256 72 Y C 0.580 176.811 175.900 0.553 0.000 1.159 72 Y CA -1.038 57.292 58.100 0.385 0.000 1.261 72 Y CB 0.188 38.769 38.460 0.201 0.000 1.119 72 Y HN 0.496 nan 8.280 nan 0.000 0.524 73 Y N 2.410 122.958 120.300 0.413 0.000 2.846 73 Y HA 0.272 4.822 4.550 -0.000 0.000 0.352 73 Y C 1.087 177.152 175.900 0.274 0.000 1.298 73 Y CA 0.912 59.178 58.100 0.276 0.000 1.634 73 Y CB -0.301 38.268 38.460 0.181 0.000 1.214 73 Y HN 0.414 nan 8.280 nan 0.000 0.529 74 G N 4.758 113.534 108.800 -0.041 0.000 2.467 74 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.242 74 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.242 74 G C -0.919 173.904 174.900 -0.127 0.000 1.127 74 G CA -0.232 44.703 45.100 -0.276 0.000 0.924 74 G HN 0.635 nan 8.290 nan 0.000 0.499 75 W N -0.988 120.345 121.300 0.055 0.000 3.524 75 W HA 0.422 5.082 4.660 -0.000 0.000 0.287 75 W C -0.022 176.552 176.519 0.092 0.000 1.247 75 W CA -0.886 56.528 57.345 0.114 0.000 1.197 75 W CB 1.011 30.608 29.460 0.229 0.000 1.323 75 W HN 0.296 nan 8.180 nan 0.000 0.567 76 S N 2.585 118.525 115.700 0.399 0.000 2.548 76 S HA 0.268 4.738 4.470 -0.000 0.000 0.277 76 S C 1.219 175.965 174.600 0.244 0.000 1.315 76 S CA -0.337 57.995 58.200 0.220 0.000 1.050 76 S CB 1.911 65.273 63.200 0.271 0.000 0.918 76 S HN 0.384 nan 8.310 nan 0.000 0.497 77 R N 1.696 122.241 120.500 0.075 0.000 2.107 77 R HA 0.027 4.367 4.340 -0.000 0.000 0.223 77 R C 1.207 177.205 176.300 -0.503 0.000 1.138 77 R CA 1.417 57.394 56.100 -0.205 0.000 0.900 77 R CB -0.500 29.770 30.300 -0.049 0.000 0.814 77 R HN 0.747 nan 8.270 nan 0.000 0.437 78 G N -0.990 107.703 108.800 -0.177 0.000 3.211 78 G HA2 0.485 4.445 3.960 -0.000 0.000 0.262 78 G HA3 0.485 4.445 3.960 -0.000 0.000 0.262 78 G C -1.059 173.899 174.900 0.096 0.000 1.352 78 G CA -0.633 44.385 45.100 -0.136 0.000 1.004 78 G HN 0.106 nan 8.290 nan 0.000 0.559 79 I N 1.849 122.470 120.570 0.085 0.000 2.503 79 I HA 0.201 4.371 4.170 -0.000 0.000 0.277 79 I C 0.174 176.297 176.117 0.010 0.000 1.078 79 I CA -0.735 60.614 61.300 0.082 0.000 1.184 79 I CB 0.463 38.483 38.000 0.034 0.000 1.353 79 I HN 0.579 nan 8.210 nan 0.000 0.490 80 N N 5.395 124.113 118.700 0.030 0.000 2.394 80 N HA 0.022 4.762 4.740 -0.000 0.000 0.288 80 N C 0.079 175.572 175.510 -0.029 0.000 1.272 80 N CA -0.306 52.742 53.050 -0.003 0.000 1.004 80 N CB 0.654 39.153 38.487 0.020 0.000 1.393 80 N HN 0.381 nan 8.380 nan 0.000 0.488 81 L N 3.247 124.433 121.223 -0.062 0.000 2.464 81 L HA 0.422 4.762 4.340 -0.000 0.000 0.224 81 L C 0.350 177.174 176.870 -0.077 0.000 1.219 81 L CA 0.119 54.908 54.840 -0.085 0.000 0.831 81 L CB 0.612 42.608 42.059 -0.105 0.000 1.284 81 L HN 0.531 nan 8.230 nan 0.000 0.522 82 A N -0.386 122.383 122.820 -0.084 0.000 2.282 82 A HA 0.527 4.847 4.320 -0.000 0.000 0.324 82 A C 0.672 178.213 177.584 -0.072 0.000 1.119 82 A CA 0.130 52.120 52.037 -0.079 0.000 0.880 82 A CB 1.079 20.028 19.000 -0.085 0.000 1.294 82 A HN 0.759 nan 8.150 nan 0.000 0.493 83 T N -0.494 114.021 114.554 -0.064 0.000 3.010 83 T HA 0.311 4.661 4.350 -0.000 0.000 0.252 83 T C 0.627 175.296 174.700 -0.052 0.000 1.047 83 T CA 1.492 63.559 62.100 -0.056 0.000 1.140 83 T CB -0.137 68.702 68.868 -0.048 0.000 0.885 83 T HN 0.991 nan 8.240 nan 0.000 0.464 84 S N -1.150 114.518 115.700 -0.053 0.000 2.645 84 S HA 0.160 4.630 4.470 -0.000 0.000 0.268 84 S C -0.261 174.309 174.600 -0.049 0.000 1.110 84 S CA -0.203 57.969 58.200 -0.048 0.000 0.823 84 S CB 0.718 63.894 63.200 -0.039 0.000 1.091 84 S HN 0.156 nan 8.310 nan 0.000 0.466 85 D N 0.837 121.211 120.400 -0.044 0.000 2.220 85 D HA -0.145 4.495 4.640 -0.000 0.000 0.198 85 D C 1.693 177.967 176.300 -0.043 0.000 1.001 85 D CA 2.575 56.550 54.000 -0.043 0.000 0.875 85 D CB 0.107 40.886 40.800 -0.035 0.000 0.921 85 D HN 0.473 nan 8.370 nan 0.000 0.454 86 T N -1.608 112.922 114.554 -0.040 0.000 2.851 86 T HA -0.107 4.242 4.350 -0.000 0.000 0.262 86 T C 0.542 175.214 174.700 -0.046 0.000 1.043 86 T CA 0.702 62.779 62.100 -0.038 0.000 1.140 86 T CB -0.057 68.792 68.868 -0.032 0.000 0.872 86 T HN 0.152 nan 8.240 nan 0.000 0.446 87 E N 0.950 121.120 120.200 -0.050 0.000 2.145 87 E HA 0.382 4.732 4.350 -0.000 0.000 0.270 87 E C -1.757 174.800 176.600 -0.072 0.000 0.906 87 E CA -0.665 55.700 56.400 -0.058 0.000 0.761 87 E CB 1.119 30.789 29.700 -0.049 0.000 1.116 87 E HN 0.169 nan 8.360 nan 0.000 0.408 88 D N 3.125 123.470 120.400 -0.092 0.000 2.402 88 D HA 0.172 4.812 4.640 -0.000 0.000 0.252 88 D C -1.693 174.524 176.300 -0.139 0.000 1.294 88 D CA -0.323 53.608 54.000 -0.116 0.000 0.948 88 D CB 1.347 42.063 40.800 -0.140 0.000 1.202 88 D HN 0.223 nan 8.370 nan 0.000 0.561 89 S N 4.025 119.662 115.700 -0.104 0.000 2.442 89 S HA 0.492 4.962 4.470 -0.000 0.000 0.297 89 S C -1.780 172.773 174.600 -0.078 0.000 1.131 89 S CA -1.547 56.598 58.200 -0.093 0.000 1.092 89 S CB 1.475 64.642 63.200 -0.054 0.000 0.998 89 S HN 0.240 nan 8.310 nan 0.000 0.478 90 P HA 0.164 nan 4.420 nan 0.000 0.208 90 P C 0.271 177.605 177.300 0.056 0.000 1.200 90 P CA 1.230 64.329 63.100 -0.002 0.000 0.924 90 P CB -0.142 31.595 31.700 0.061 0.000 0.774 91 G N -0.564 108.275 108.800 0.066 0.000 3.055 91 G HA2 -0.159 3.801 3.960 -0.000 0.000 0.654 91 G HA3 -0.159 3.801 3.960 -0.000 0.000 0.654 91 G C 0.169 175.126 174.900 0.096 0.000 1.134 91 G CA -0.337 44.804 45.100 0.067 0.000 1.049 91 G HN 0.018 nan 8.290 nan 0.000 0.458 92 N N 0.734 119.488 118.700 0.090 0.000 2.503 92 N HA -0.098 4.642 4.740 -0.000 0.000 0.189 92 N C 1.855 177.415 175.510 0.083 0.000 1.048 92 N CA 1.497 54.603 53.050 0.093 0.000 0.905 92 N CB 0.036 38.570 38.487 0.078 0.000 0.951 92 N HN 0.771 nan 8.380 nan 0.000 0.446 93 N N -1.777 116.972 118.700 0.082 0.000 2.238 93 N HA 0.082 4.822 4.740 -0.000 0.000 0.222 93 N C -0.291 175.273 175.510 0.091 0.000 1.133 93 N CA 0.129 53.228 53.050 0.082 0.000 0.854 93 N CB 0.440 38.978 38.487 0.084 0.000 1.041 93 N HN -0.124 nan 8.380 nan 0.000 0.510 94 T N 0.905 115.530 114.554 0.118 0.000 3.355 94 T HA 0.369 4.719 4.350 -0.000 0.000 0.276 94 T C -0.263 174.557 174.700 0.200 0.000 1.003 94 T CA -0.160 62.064 62.100 0.207 0.000 0.943 94 T CB 0.066 69.055 68.868 0.202 0.000 1.158 94 T HN 0.102 nan 8.240 nan 0.000 0.513 95 L N 3.505 124.761 121.223 0.053 0.000 2.529 95 L HA 0.356 4.696 4.340 -0.000 0.000 0.258 95 L C -2.428 174.366 176.870 -0.126 0.000 1.032 95 L CA -2.043 52.803 54.840 0.010 0.000 0.899 95 L CB 2.248 44.371 42.059 0.108 0.000 1.174 95 L HN -0.045 nan 8.230 nan 0.000 0.458 96 P HA 0.117 nan 4.420 nan 0.000 0.268 96 P C -0.681 176.521 177.300 -0.164 0.000 1.204 96 P CA 0.090 62.975 63.100 -0.359 0.000 0.768 96 P CB 1.005 32.325 31.700 -0.632 0.000 0.842 97 T N -0.865 113.630 114.554 -0.099 0.000 2.896 97 T HA 0.340 4.690 4.350 -0.000 0.000 0.297 97 T C -0.789 173.937 174.700 0.043 0.000 1.108 97 T CA -0.891 61.220 62.100 0.017 0.000 1.004 97 T CB 0.572 69.497 68.868 0.096 0.000 1.159 97 T HN 0.228 nan 8.240 nan 0.000 0.499 98 W N 2.542 123.921 121.300 0.131 0.000 2.520 98 W HA 0.328 4.988 4.660 -0.000 0.000 0.337 98 W C 0.314 176.900 176.519 0.113 0.000 1.406 98 W CA 0.169 57.593 57.345 0.132 0.000 1.318 98 W CB 0.174 29.708 29.460 0.124 0.000 1.338 98 W HN 0.646 nan 8.180 nan 0.000 0.570 99 S N 5.738 121.637 115.700 0.331 0.000 2.475 99 S HA 0.699 5.169 4.470 -0.000 0.000 0.281 99 S C -0.131 174.635 174.600 0.276 0.000 1.198 99 S CA -0.954 57.389 58.200 0.238 0.000 1.063 99 S CB 1.013 64.303 63.200 0.150 0.000 0.972 99 S HN 0.437 nan 8.310 nan 0.000 0.486 100 M N 1.245 120.950 119.600 0.176 0.000 3.213 100 M HA 1.003 5.483 4.480 -0.000 0.000 0.278 100 M C -1.236 175.078 176.300 0.024 0.000 1.332 100 M CA -0.931 54.438 55.300 0.115 0.000 0.810 100 M CB 0.849 33.517 32.600 0.113 0.000 1.676 100 M HN 0.734 nan 8.290 nan 0.000 0.463 101 A N -0.028 122.781 122.820 -0.018 0.000 2.544 101 A HA 0.791 5.111 4.320 -0.000 0.000 0.291 101 A C -1.997 175.513 177.584 -0.124 0.000 1.055 101 A CA -0.785 51.203 52.037 -0.080 0.000 0.651 101 A CB 1.180 20.086 19.000 -0.156 0.000 1.296 101 A HN 1.070 nan 8.150 nan 0.000 0.431 102 K N 1.172 121.458 120.400 -0.191 0.000 2.541 102 K HA 0.580 4.900 4.320 -0.000 0.000 0.250 102 K C -1.548 174.871 176.600 -0.301 0.000 0.950 102 K CA -0.708 55.374 56.287 -0.342 0.000 0.805 102 K CB 1.036 33.263 32.500 -0.454 0.000 1.166 102 K HN 0.522 nan 8.250 nan 0.000 0.430 103 L N 3.466 124.494 121.223 -0.324 0.000 2.292 103 L HA 0.306 4.646 4.340 -0.000 0.000 0.284 103 L C -0.057 176.661 176.870 -0.254 0.000 1.065 103 L CA -0.143 54.541 54.840 -0.259 0.000 0.806 103 L CB 1.002 42.908 42.059 -0.254 0.000 1.175 103 L HN 0.713 nan 8.230 nan 0.000 0.431 104 Q N 2.969 122.658 119.800 -0.184 0.000 2.430 104 Q HA 0.425 4.765 4.340 -0.000 0.000 0.245 104 Q C -0.795 175.150 176.000 -0.091 0.000 1.021 104 Q CA -0.341 55.381 55.803 -0.134 0.000 0.867 104 Q CB 0.687 29.367 28.738 -0.098 0.000 1.210 104 Q HN 0.406 nan 8.270 nan 0.000 0.487 105 L N 5.253 126.426 121.223 -0.082 0.000 2.479 105 L HA 0.526 4.866 4.340 -0.000 0.000 0.248 105 L C -1.773 175.207 176.870 0.184 0.000 1.205 105 L CA -1.241 53.584 54.840 -0.025 0.000 0.817 105 L CB -0.076 41.836 42.059 -0.246 0.000 1.162 105 L HN 0.594 nan 8.230 nan 0.000 0.486 106 P HA 0.142 nan 4.420 nan 0.000 0.280 106 P C -0.938 176.493 177.300 0.218 0.000 1.272 106 P CA -0.685 62.562 63.100 0.246 0.000 0.819 106 P CB 0.898 32.734 31.700 0.226 0.000 1.122 107 M N 1.679 121.320 119.600 0.068 0.000 2.211 107 M HA 0.078 4.558 4.480 -0.000 0.000 0.356 107 M C 0.254 176.483 176.300 -0.118 0.000 1.216 107 M CA -0.335 54.953 55.300 -0.019 0.000 1.134 107 M CB 0.447 33.041 32.600 -0.009 0.000 1.564 107 M HN 0.226 nan 8.290 nan 0.000 0.463 108 L N 3.133 124.213 121.223 -0.238 0.000 2.425 108 L HA 0.238 4.578 4.340 -0.000 0.000 0.215 108 L C 1.079 177.823 176.870 -0.210 0.000 1.065 108 L CA 0.645 55.285 54.840 -0.333 0.000 0.842 108 L CB -0.673 41.004 42.059 -0.637 0.000 1.033 108 L HN 0.661 nan 8.230 nan 0.000 0.474 109 N N 0.573 119.191 118.700 -0.137 0.000 2.515 109 N HA 0.114 4.854 4.740 -0.000 0.000 0.279 109 N C 0.429 175.920 175.510 -0.030 0.000 1.164 109 N CA 0.586 53.602 53.050 -0.056 0.000 0.982 109 N CB 1.370 39.849 38.487 -0.014 0.000 1.170 109 N HN 0.360 nan 8.380 nan 0.000 0.474 110 E N 0.062 120.261 120.200 -0.003 0.000 2.662 110 E HA -0.012 4.338 4.350 -0.000 0.000 0.205 110 E C -0.914 175.688 176.600 0.003 0.000 1.003 110 E CA -0.364 56.032 56.400 -0.006 0.000 1.685 110 E CB -0.204 29.491 29.700 -0.009 0.000 2.386 110 E HN 0.405 nan 8.360 nan 0.000 1.092 111 D N 1.240 121.653 120.400 0.021 0.000 2.422 111 D HA 0.109 4.749 4.640 -0.000 0.000 0.227 111 D C 0.363 176.675 176.300 0.020 0.000 1.190 111 D CA -0.259 53.753 54.000 0.020 0.000 0.905 111 D CB 1.160 41.979 40.800 0.032 0.000 1.034 111 D HN 0.175 nan 8.370 nan 0.000 0.507 112 L N 3.508 124.732 121.223 0.001 0.000 2.492 112 L HA 0.021 4.361 4.340 -0.000 0.000 0.223 112 L C 2.314 179.186 176.870 0.002 0.000 1.132 112 L CA 1.142 55.980 54.840 -0.003 0.000 0.850 112 L CB -0.619 41.416 42.059 -0.040 0.000 0.966 112 L HN 0.657 nan 8.230 nan 0.000 0.454 113 T N -3.684 110.869 114.554 -0.000 0.000 2.869 113 T HA -0.193 4.157 4.350 -0.000 0.000 0.270 113 T C 1.031 175.731 174.700 0.001 0.000 1.082 113 T CA 0.901 63.000 62.100 -0.002 0.000 1.123 113 T CB -1.057 67.808 68.868 -0.006 0.000 0.856 113 T HN 0.335 nan 8.240 nan 0.000 0.499 114 C N 1.398 120.703 119.300 0.009 0.000 2.365 114 C HA 0.410 4.870 4.460 -0.000 0.000 0.349 114 C C 1.063 176.070 174.990 0.027 0.000 1.191 114 C CA -0.934 58.087 59.018 0.006 0.000 2.114 114 C CB 0.889 28.621 27.740 -0.013 0.000 2.367 114 C HN 0.458 nan 8.230 nan 0.000 0.530 115 D N 2.007 122.416 120.400 0.016 0.000 2.400 115 D HA 0.088 4.728 4.640 -0.000 0.000 0.243 115 D C -0.236 176.086 176.300 0.038 0.000 1.184 115 D CA 0.699 54.719 54.000 0.033 0.000 0.853 115 D CB 0.212 41.021 40.800 0.016 0.000 0.944 115 D HN 0.596 nan 8.370 nan 0.000 0.501 116 T N 0.956 115.538 114.554 0.046 0.000 2.985 116 T HA 0.281 4.631 4.350 -0.000 0.000 0.315 116 T C -0.159 174.661 174.700 0.201 0.000 1.001 116 T CA -0.624 61.522 62.100 0.076 0.000 1.016 116 T CB 1.555 70.375 68.868 -0.081 0.000 0.993 116 T HN -0.156 nan 8.240 nan 0.000 0.454 117 L N 2.126 123.492 121.223 0.239 0.000 2.397 117 L HA 0.696 5.036 4.340 -0.000 0.000 0.266 117 L C 0.254 177.289 176.870 0.276 0.000 1.040 117 L CA -0.596 54.379 54.840 0.225 0.000 0.800 117 L CB 0.973 43.120 42.059 0.146 0.000 1.324 117 L HN 0.591 nan 8.230 nan 0.000 0.469 118 Q N 1.220 121.034 119.800 0.023 0.000 2.315 118 Q HA 0.727 5.067 4.340 -0.000 0.000 0.273 118 Q C -1.570 174.248 176.000 -0.303 0.000 1.053 118 Q CA -0.600 55.032 55.803 -0.285 0.000 0.817 118 Q CB 2.416 30.706 28.738 -0.747 0.000 1.326 118 Q HN 0.687 nan 8.270 nan 0.000 0.423 119 M N 0.201 119.621 119.600 -0.300 0.000 2.622 119 M HA 0.541 5.021 4.480 -0.000 0.000 0.276 119 M C -1.784 174.411 176.300 -0.174 0.000 1.265 119 M CA -0.836 54.311 55.300 -0.255 0.000 0.850 119 M CB 1.733 34.289 32.600 -0.073 0.000 1.720 119 M HN 0.573 nan 8.290 nan 0.000 0.465 120 W N 1.574 122.832 121.300 -0.068 0.000 2.308 120 W HA 0.295 4.955 4.660 -0.000 0.000 0.324 120 W C 0.222 176.722 176.519 -0.033 0.000 1.387 120 W CA 0.118 57.429 57.345 -0.057 0.000 1.250 120 W CB 0.420 29.854 29.460 -0.043 0.000 1.257 120 W HN 0.552 nan 8.180 nan 0.000 0.554 121 E N 2.661 123.041 120.200 0.301 0.000 2.224 121 E HA 0.521 4.871 4.350 -0.000 0.000 0.265 121 E C -1.032 175.645 176.600 0.128 0.000 0.878 121 E CA -0.764 55.734 56.400 0.162 0.000 0.759 121 E CB 1.456 31.221 29.700 0.108 0.000 1.164 121 E HN 0.473 nan 8.360 nan 0.000 0.414 122 A N 3.539 126.416 122.820 0.095 0.000 2.331 122 A HA 0.391 4.711 4.320 -0.000 0.000 0.283 122 A C 0.422 178.053 177.584 0.077 0.000 1.142 122 A CA -0.399 51.680 52.037 0.070 0.000 0.812 122 A CB 1.204 20.247 19.000 0.072 0.000 1.074 122 A HN 0.500 nan 8.150 nan 0.000 0.497 123 V N 1.585 121.540 119.914 0.069 0.000 2.743 123 V HA 0.148 4.268 4.120 -0.000 0.000 0.237 123 V C 1.005 177.146 176.094 0.079 0.000 1.113 123 V CA 1.711 64.053 62.300 0.070 0.000 1.141 123 V CB 0.094 31.952 31.823 0.060 0.000 0.873 123 V HN 1.059 nan 8.190 nan 0.000 0.486 124 S N -1.453 114.293 115.700 0.076 0.000 2.790 124 S HA 0.785 5.255 4.470 -0.000 0.000 0.292 124 S C -1.179 173.475 174.600 0.088 0.000 1.197 124 S CA -0.373 57.878 58.200 0.085 0.000 0.851 124 S CB 2.338 65.576 63.200 0.063 0.000 1.217 124 S HN 0.538 nan 8.310 nan 0.000 0.526 125 V N 0.519 120.483 119.914 0.084 0.000 2.871 125 V HA 0.440 4.559 4.120 -0.000 0.000 0.283 125 V C -2.013 174.097 176.094 0.026 0.000 1.422 125 V CA -0.571 61.771 62.300 0.070 0.000 0.943 125 V CB 1.785 33.689 31.823 0.135 0.000 1.125 125 V HN 0.950 nan 8.190 nan 0.000 0.440 126 K N 3.116 123.527 120.400 0.019 0.000 2.118 126 K HA 0.774 5.094 4.320 -0.000 0.000 0.267 126 K C -0.486 176.083 176.600 -0.052 0.000 0.991 126 K CA -0.374 55.923 56.287 0.017 0.000 0.916 126 K CB 1.906 34.474 32.500 0.114 0.000 1.041 126 K HN 0.810 nan 8.250 nan 0.000 0.455 127 T N 0.421 114.888 114.554 -0.145 0.000 2.889 127 T HA 0.301 4.651 4.350 -0.000 0.000 0.315 127 T C -1.954 172.601 174.700 -0.241 0.000 1.291 127 T CA -0.706 61.197 62.100 -0.329 0.000 1.028 127 T CB 1.653 69.949 68.868 -0.953 0.000 1.235 127 T HN 0.690 nan 8.240 nan 0.000 0.491 128 E N 2.345 122.432 120.200 -0.188 0.000 2.354 128 E HA 0.539 4.889 4.350 -0.000 0.000 0.283 128 E C -1.706 174.822 176.600 -0.120 0.000 0.938 128 E CA -0.730 55.581 56.400 -0.148 0.000 0.777 128 E CB 2.211 31.856 29.700 -0.093 0.000 1.222 128 E HN 0.517 nan 8.360 nan 0.000 0.423 129 V N 4.066 123.881 119.914 -0.164 0.000 2.407 129 V HA 0.330 4.450 4.120 -0.000 0.000 0.278 129 V C -0.075 175.968 176.094 -0.084 0.000 1.037 129 V CA -0.480 61.736 62.300 -0.141 0.000 0.900 129 V CB 1.261 32.940 31.823 -0.241 0.000 0.983 129 V HN 0.458 nan 8.190 nan 0.000 0.459 130 V N 2.105 122.019 119.914 -0.001 0.000 2.581 130 V HA 0.987 5.107 4.120 -0.000 0.000 0.303 130 V C 0.820 176.973 176.094 0.100 0.000 1.041 130 V CA 0.010 62.382 62.300 0.120 0.000 0.907 130 V CB 0.890 32.754 31.823 0.068 0.000 0.994 130 V HN 1.195 nan 8.190 nan 0.000 0.442 131 G N 2.575 111.544 108.800 0.282 0.000 2.141 131 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.164 131 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.164 131 G C 0.591 175.575 174.900 0.139 0.000 1.009 131 G CA 0.134 45.340 45.100 0.177 0.000 0.677 131 G HN 0.950 nan 8.290 nan 0.000 0.508 132 S N -0.105 115.684 115.700 0.148 0.000 2.440 132 S HA -0.000 4.470 4.470 -0.000 0.000 0.238 132 S C 2.522 177.177 174.600 0.091 0.000 1.010 132 S CA 1.764 59.934 58.200 -0.049 0.000 0.972 132 S CB -0.251 62.687 63.200 -0.437 0.000 0.774 132 S HN 1.309 nan 8.310 nan 0.000 0.501 133 G N 1.608 110.554 108.800 0.243 0.000 2.422 133 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.218 133 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.218 133 G C 1.492 176.435 174.900 0.071 0.000 1.146 133 G CA 1.105 46.292 45.100 0.145 0.000 0.769 133 G HN 0.585 nan 8.290 nan 0.000 0.547 134 S N 0.396 116.131 115.700 0.058 0.000 2.400 134 S HA -0.162 4.308 4.470 -0.000 0.000 0.234 134 S C 2.027 176.645 174.600 0.030 0.000 1.049 134 S CA 1.375 59.595 58.200 0.032 0.000 1.039 134 S CB -0.269 62.932 63.200 0.003 0.000 0.856 134 S HN 0.121 nan 8.310 nan 0.000 0.465 135 L N 1.300 122.537 121.223 0.024 0.000 2.737 135 L HA 0.287 4.627 4.340 -0.000 0.000 0.246 135 L C 1.311 178.193 176.870 0.020 0.000 1.153 135 L CA 0.624 55.479 54.840 0.025 0.000 0.920 135 L CB -0.596 41.468 42.059 0.009 0.000 1.090 135 L HN 0.374 nan 8.230 nan 0.000 0.430 136 L N -1.171 120.062 121.223 0.018 0.000 2.640 136 L HA 0.167 4.507 4.340 -0.000 0.000 0.230 136 L C 0.445 177.302 176.870 -0.022 0.000 1.123 136 L CA -0.162 54.685 54.840 0.011 0.000 0.900 136 L CB 0.111 42.186 42.059 0.028 0.000 1.146 136 L HN 0.145 nan 8.230 nan 0.000 0.484 137 D N 0.791 121.154 120.400 -0.061 0.000 2.338 137 D HA 0.106 4.746 4.640 -0.000 0.000 0.255 137 D C 0.810 176.981 176.300 -0.216 0.000 1.237 137 D CA 0.020 53.883 54.000 -0.228 0.000 0.883 137 D CB 1.479 42.142 40.800 -0.228 0.000 1.087 137 D HN 0.011 nan 8.370 nan 0.000 0.485 138 V N 2.463 122.243 119.914 -0.224 0.000 3.528 138 V HA 0.171 4.291 4.120 -0.000 0.000 0.294 138 V C 1.221 177.294 176.094 -0.036 0.000 1.404 138 V CA -0.109 62.143 62.300 -0.079 0.000 1.065 138 V CB -1.074 30.749 31.823 0.001 0.000 0.904 138 V HN 0.615 nan 8.190 nan 0.000 0.435 139 H N 1.103 120.195 119.070 0.037 0.000 3.109 139 H HA 0.692 5.248 4.556 -0.000 0.000 0.190 139 H C 0.951 176.289 175.328 0.017 0.000 1.535 139 H CA 0.062 56.115 56.048 0.008 0.000 1.670 139 H CB -0.138 29.615 29.762 -0.015 0.000 1.373 139 H HN 0.510 nan 8.280 nan 0.000 0.920 140 G N -0.099 108.818 108.800 0.196 0.000 2.750 140 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.228 140 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.228 140 G C -1.096 173.854 174.900 0.084 0.000 1.367 140 G CA 0.042 45.203 45.100 0.101 0.000 0.871 140 G HN 0.518 nan 8.290 nan 0.000 0.560 141 F N 2.634 122.609 119.950 0.042 0.000 2.311 141 F HA 0.551 5.078 4.527 -0.000 0.000 0.371 141 F C 0.510 176.303 175.800 -0.012 0.000 1.083 141 F CA -1.491 56.520 58.000 0.018 0.000 1.113 141 F CB 0.562 39.575 39.000 0.023 0.000 1.349 141 F HN 0.514 nan 8.300 nan 0.000 0.470 142 N N 1.834 120.737 118.700 0.338 0.000 2.455 142 N HA 0.287 5.027 4.740 -0.000 0.000 0.278 142 N C -1.180 174.351 175.510 0.036 0.000 1.291 142 N CA -1.180 51.917 53.050 0.078 0.000 0.780 142 N CB 1.873 40.400 38.487 0.067 0.000 1.520 142 N HN 0.252 nan 8.380 nan 0.000 0.486 143 K N 0.864 121.229 120.400 -0.059 0.000 2.530 143 K HA 0.059 4.379 4.320 -0.000 0.000 0.280 143 K C -2.397 174.212 176.600 0.015 0.000 1.004 143 K CA -0.510 55.734 56.287 -0.072 0.000 1.071 143 K CB 0.326 32.780 32.500 -0.077 0.000 0.876 143 K HN 0.249 nan 8.250 nan 0.000 0.487 144 P HA 0.124 nan 4.420 nan 0.000 0.279 144 P C 0.145 177.473 177.300 0.047 0.000 1.276 144 P CA -0.539 62.609 63.100 0.080 0.000 0.801 144 P CB 0.827 32.594 31.700 0.111 0.000 1.127 145 T N -1.542 113.044 114.554 0.053 0.000 2.643 145 T HA -0.143 4.207 4.350 -0.000 0.000 0.264 145 T C 0.460 175.178 174.700 0.030 0.000 1.045 145 T CA 1.637 63.761 62.100 0.039 0.000 1.155 145 T CB -0.774 68.118 68.868 0.041 0.000 0.863 145 T HN 0.520 nan 8.240 nan 0.000 0.420 146 D N 1.356 121.776 120.400 0.034 0.000 2.359 146 D HA 0.254 4.894 4.640 -0.000 0.000 0.230 146 D C 1.279 177.594 176.300 0.024 0.000 1.118 146 D CA -0.085 53.930 54.000 0.025 0.000 0.844 146 D CB 1.133 41.949 40.800 0.027 0.000 1.059 146 D HN 0.216 nan 8.370 nan 0.000 0.493 147 T N 0.371 114.931 114.554 0.010 0.000 2.809 147 T HA -0.128 4.222 4.350 -0.000 0.000 0.260 147 T C 1.960 176.658 174.700 -0.003 0.000 1.039 147 T CA 0.994 63.092 62.100 -0.004 0.000 1.141 147 T CB -0.579 68.278 68.868 -0.018 0.000 0.869 147 T HN 0.218 nan 8.240 nan 0.000 0.437 148 V N 3.640 123.553 119.914 -0.002 0.000 2.238 148 V HA -0.301 3.819 4.120 -0.000 0.000 0.253 148 V C 2.157 178.253 176.094 0.004 0.000 1.050 148 V CA 2.357 64.656 62.300 -0.002 0.000 1.045 148 V CB -0.864 30.961 31.823 0.002 0.000 0.670 148 V HN 0.612 nan 8.190 nan 0.000 0.469 149 N N -0.758 117.950 118.700 0.012 0.000 2.370 149 N HA 0.033 4.773 4.740 -0.000 0.000 0.198 149 N C 0.337 175.866 175.510 0.031 0.000 1.156 149 N CA 0.740 53.801 53.050 0.018 0.000 0.839 149 N CB 0.332 38.829 38.487 0.018 0.000 0.989 149 N HN 0.663 nan 8.380 nan 0.000 0.468 150 T N 0.566 115.141 114.554 0.034 0.000 3.704 150 T HA -0.180 4.170 4.350 -0.000 0.000 0.388 150 T C 0.080 174.830 174.700 0.083 0.000 0.763 150 T CA 1.184 63.322 62.100 0.064 0.000 2.005 150 T CB -0.843 68.074 68.868 0.082 0.000 1.752 150 T HN 0.309 nan 8.240 nan 0.000 0.747 151 K N -0.832 119.607 120.400 0.064 0.000 2.399 151 K HA 0.871 5.191 4.320 -0.000 0.000 0.260 151 K C 1.010 177.646 176.600 0.059 0.000 1.049 151 K CA 0.418 56.742 56.287 0.060 0.000 0.890 151 K CB 1.533 34.057 32.500 0.040 0.000 1.430 151 K HN 0.457 nan 8.250 nan 0.000 0.459 152 G N 0.062 108.893 108.800 0.051 0.000 3.185 152 G HA2 -0.091 3.869 3.960 -0.000 0.000 0.242 152 G HA3 -0.091 3.869 3.960 -0.000 0.000 0.242 152 G C -1.100 173.834 174.900 0.057 0.000 1.754 152 G CA -0.084 45.045 45.100 0.049 0.000 1.225 152 G HN 0.413 nan 8.290 nan 0.000 0.539 153 I N 0.812 121.422 120.570 0.067 0.000 2.722 153 I HA 0.466 4.636 4.170 -0.000 0.000 0.292 153 I C -0.196 175.974 176.117 0.089 0.000 1.267 153 I CA -0.534 60.809 61.300 0.071 0.000 1.036 153 I CB 1.843 39.876 38.000 0.054 0.000 1.281 153 I HN 0.365 nan 8.210 nan 0.000 0.423 154 S N 3.653 119.417 115.700 0.107 0.000 2.700 154 S HA 0.118 4.588 4.470 -0.000 0.000 0.321 154 S C 0.285 174.935 174.600 0.084 0.000 1.161 154 S CA -0.081 58.203 58.200 0.140 0.000 1.078 154 S CB -0.423 62.897 63.200 0.201 0.000 1.302 154 S HN 0.601 nan 8.310 nan 0.000 0.540 155 T N 7.688 122.284 114.554 0.071 0.000 2.447 155 T HA -0.039 4.311 4.350 -0.000 0.000 0.224 155 T C -1.523 173.211 174.700 0.057 0.000 1.058 155 T CA -0.419 61.714 62.100 0.055 0.000 1.224 155 T CB -0.356 68.541 68.868 0.048 0.000 1.029 155 T HN 0.492 nan 8.240 nan 0.000 0.475 156 P HA 0.022 nan 4.420 nan 0.000 0.273 156 P C -0.026 177.319 177.300 0.076 0.000 1.252 156 P CA -0.418 62.716 63.100 0.057 0.000 0.809 156 P CB 0.427 32.151 31.700 0.039 0.000 1.017 157 V N -0.147 119.816 119.914 0.081 0.000 2.740 157 V HA 0.138 4.258 4.120 -0.000 0.000 0.303 157 V C 0.845 176.963 176.094 0.039 0.000 1.054 157 V CA 0.639 62.990 62.300 0.085 0.000 1.106 157 V CB -0.419 31.447 31.823 0.071 0.000 0.957 157 V HN 0.539 nan 8.190 nan 0.000 0.486 158 E N 1.157 121.372 120.200 0.025 0.000 2.430 158 E HA 0.671 5.021 4.350 -0.000 0.000 0.279 158 E C -0.117 176.408 176.600 -0.124 0.000 1.003 158 E CA -0.190 56.209 56.400 -0.001 0.000 0.801 158 E CB 2.591 32.339 29.700 0.081 0.000 1.313 158 E HN 1.100 nan 8.360 nan 0.000 0.459 159 G N 0.491 109.211 108.800 -0.133 0.000 2.343 159 G HA2 -0.115 3.845 3.960 -0.000 0.000 0.562 159 G HA3 -0.115 3.845 3.960 -0.000 0.000 0.562 159 G C -0.728 173.997 174.900 -0.291 0.000 1.269 159 G CA -0.661 44.294 45.100 -0.241 0.000 1.011 159 G HN 0.380 nan 8.290 nan 0.000 0.498 160 S N 0.903 116.458 115.700 -0.241 0.000 2.558 160 S HA 0.466 4.936 4.470 -0.000 0.000 0.288 160 S C 0.502 174.938 174.600 -0.272 0.000 1.318 160 S CA 0.792 58.895 58.200 -0.162 0.000 1.056 160 S CB 0.677 63.965 63.200 0.148 0.000 0.853 160 S HN 0.783 nan 8.310 nan 0.000 0.505 161 Q N 1.454 121.146 119.800 -0.181 0.000 2.495 161 Q HA 0.715 5.055 4.340 -0.000 0.000 0.287 161 Q C -1.621 174.340 176.000 -0.066 0.000 1.078 161 Q CA -1.025 54.678 55.803 -0.166 0.000 0.793 161 Q CB 2.072 30.720 28.738 -0.151 0.000 1.459 161 Q HN 0.671 nan 8.270 nan 0.000 0.422 162 Y N 0.229 120.256 120.300 -0.455 0.000 2.474 162 Y HA 0.412 4.962 4.550 -0.000 0.000 0.326 162 Y C -2.049 173.469 175.900 -0.636 0.000 1.160 162 Y CA -0.494 57.418 58.100 -0.314 0.000 1.056 162 Y CB 1.863 40.313 38.460 -0.016 0.000 1.330 162 Y HN 0.808 nan 8.280 nan 0.000 0.447 163 H N 4.881 123.901 119.070 -0.083 0.000 2.865 163 H HA 0.829 5.385 4.556 -0.000 0.000 0.362 163 H C -1.371 173.856 175.328 -0.169 0.000 1.114 163 H CA -0.731 55.275 56.048 -0.070 0.000 1.208 163 H CB 1.994 31.753 29.762 -0.006 0.000 1.727 163 H HN 0.577 nan 8.280 nan 0.000 0.534 164 V N 2.314 122.281 119.914 0.087 0.000 3.258 164 V HA 0.578 4.698 4.120 -0.000 0.000 0.299 164 V C -1.085 175.334 176.094 0.542 0.000 1.376 164 V CA -1.077 61.342 62.300 0.198 0.000 1.063 164 V CB 2.737 34.581 31.823 0.034 0.000 1.103 164 V HN 0.827 nan 8.190 nan 0.000 0.451 165 F N -1.015 119.189 119.950 0.425 0.000 3.132 165 F HA 0.955 5.482 4.527 -0.000 0.000 0.331 165 F C -0.937 175.146 175.800 0.472 0.000 1.108 165 F CA -0.395 57.900 58.000 0.492 0.000 0.858 165 F CB 0.661 39.923 39.000 0.438 0.000 1.420 165 F HN 1.422 nan 8.300 nan 0.000 0.454 166 A N 0.260 123.334 122.820 0.424 0.000 2.540 166 A HA 0.796 5.116 4.320 -0.000 0.000 0.291 166 A C -2.306 175.534 177.584 0.427 0.000 1.083 166 A CA -0.356 51.788 52.037 0.179 0.000 0.650 166 A CB 1.312 20.324 19.000 0.021 0.000 1.292 166 A HN 1.779 nan 8.150 nan 0.000 0.435 167 V N -0.034 120.042 119.914 0.269 0.000 2.668 167 V HA 0.801 4.921 4.120 -0.000 0.000 0.304 167 V C 0.320 176.502 176.094 0.146 0.000 1.071 167 V CA 0.184 62.641 62.300 0.261 0.000 0.894 167 V CB 1.420 33.434 31.823 0.318 0.000 1.008 167 V HN 1.863 nan 8.190 nan 0.000 0.425 168 G N 1.771 110.657 108.800 0.142 0.000 2.694 168 G HA2 0.584 4.544 3.960 -0.000 0.000 0.290 168 G HA3 0.584 4.544 3.960 -0.000 0.000 0.290 168 G C 0.462 175.482 174.900 0.201 0.000 1.386 168 G CA 0.020 45.182 45.100 0.104 0.000 0.872 168 G HN 0.952 nan 8.290 nan 0.000 0.475 169 G N -1.191 107.687 108.800 0.131 0.000 2.985 169 G HA2 0.432 4.392 3.960 -0.000 0.000 0.209 169 G HA3 0.432 4.392 3.960 -0.000 0.000 0.209 169 G C 0.351 175.367 174.900 0.194 0.000 1.165 169 G CA 0.513 45.723 45.100 0.183 0.000 0.776 169 G HN 0.787 nan 8.290 nan 0.000 0.541 170 E N -0.312 119.849 120.200 -0.064 0.000 2.449 170 E HA 0.410 4.760 4.350 -0.000 0.000 0.278 170 E C -3.141 172.788 176.600 -1.119 0.000 0.992 170 E CA -2.362 53.736 56.400 -0.504 0.000 0.807 170 E CB 1.526 31.062 29.700 -0.274 0.000 1.350 170 E HN -0.098 nan 8.360 nan 0.000 0.462 171 P HA 0.006 nan 4.420 nan 0.000 0.272 171 P C -0.001 176.964 177.300 -0.558 0.000 1.240 171 P CA -0.541 61.953 63.100 -1.009 0.000 0.791 171 P CB 0.821 32.097 31.700 -0.707 0.000 0.978 172 L N 2.040 122.989 121.223 -0.457 0.000 2.534 172 L HA 0.065 4.405 4.340 -0.000 0.000 0.271 172 L C -0.478 176.101 176.870 -0.486 0.000 1.178 172 L CA 0.503 55.072 54.840 -0.452 0.000 0.907 172 L CB -0.609 41.142 42.059 -0.514 0.000 1.164 172 L HN 0.359 nan 8.230 nan 0.000 0.482 173 D N 5.131 125.282 120.400 -0.414 0.000 2.312 173 D HA 0.445 5.085 4.640 -0.000 0.000 0.252 173 D C -0.143 175.929 176.300 -0.380 0.000 1.150 173 D CA -0.022 53.761 54.000 -0.362 0.000 0.870 173 D CB 1.149 41.788 40.800 -0.268 0.000 1.153 173 D HN 0.424 nan 8.370 nan 0.000 0.457 174 L N -0.179 120.834 121.223 -0.351 0.000 2.250 174 L HA 0.696 5.036 4.340 -0.000 0.000 0.252 174 L C -0.944 175.906 176.870 -0.034 0.000 1.054 174 L CA -0.987 53.706 54.840 -0.246 0.000 0.856 174 L CB 1.259 43.103 42.059 -0.359 0.000 1.443 174 L HN 0.177 nan 8.230 nan 0.000 0.427 175 Q N -0.103 119.790 119.800 0.155 0.000 2.280 175 Q HA 0.546 4.886 4.340 -0.000 0.000 0.259 175 Q C -1.121 175.099 176.000 0.367 0.000 0.964 175 Q CA -0.241 55.713 55.803 0.251 0.000 0.844 175 Q CB 2.217 31.026 28.738 0.119 0.000 1.334 175 Q HN 1.127 nan 8.270 nan 0.000 0.423 176 G N 2.773 111.788 108.800 0.359 0.000 2.451 176 G HA2 0.732 4.692 3.960 -0.000 0.000 0.303 176 G HA3 0.732 4.692 3.960 -0.000 0.000 0.303 176 G C -0.820 174.073 174.900 -0.013 0.000 1.166 176 G CA -0.265 44.836 45.100 0.002 0.000 0.884 176 G HN 0.499 nan 8.290 nan 0.000 0.514 177 L N 0.339 121.583 121.223 0.036 0.000 2.545 177 L HA 0.547 4.887 4.340 -0.000 0.000 0.258 177 L C -0.687 176.195 176.870 0.020 0.000 0.942 177 L CA -0.916 53.914 54.840 -0.017 0.000 0.855 177 L CB 2.167 44.183 42.059 -0.072 0.000 1.374 177 L HN 0.515 nan 8.230 nan 0.000 0.411 178 V N 0.517 120.422 119.914 -0.013 0.000 3.126 178 V HA 0.513 4.633 4.120 -0.000 0.000 0.314 178 V C 0.741 176.845 176.094 0.016 0.000 1.138 178 V CA 0.186 62.498 62.300 0.019 0.000 1.034 178 V CB 2.392 34.236 31.823 0.034 0.000 1.075 178 V HN 0.931 nan 8.190 nan 0.000 0.442 179 T N 0.869 115.440 114.554 0.028 0.000 2.612 179 T HA 0.016 4.366 4.350 -0.000 0.000 0.251 179 T C 0.194 174.894 174.700 0.001 0.000 1.090 179 T CA 0.935 63.038 62.100 0.006 0.000 1.198 179 T CB -0.237 68.633 68.868 0.004 0.000 0.878 179 T HN 0.645 nan 8.240 nan 0.000 0.401 180 D N 0.954 121.355 120.400 0.002 0.000 2.329 180 D HA 0.589 5.229 4.640 -0.000 0.000 0.232 180 D C 0.511 176.809 176.300 -0.002 0.000 1.088 180 D CA -0.405 53.586 54.000 -0.015 0.000 0.835 180 D CB 1.379 42.153 40.800 -0.044 0.000 1.078 180 D HN 0.303 nan 8.370 nan 0.000 0.495 181 A N 4.134 126.954 122.820 -0.001 0.000 2.259 181 A HA -0.135 4.185 4.320 -0.000 0.000 0.212 181 A C 1.784 179.369 177.584 0.002 0.000 1.178 181 A CA 0.970 53.012 52.037 0.009 0.000 0.734 181 A CB -0.124 18.877 19.000 0.002 0.000 0.774 181 A HN 0.534 nan 8.150 nan 0.000 0.481 182 R N -0.668 119.817 120.500 -0.025 0.000 2.074 182 R HA 0.056 4.396 4.340 -0.000 0.000 0.218 182 R C 0.332 176.580 176.300 -0.087 0.000 1.137 182 R CA 0.612 56.685 56.100 -0.045 0.000 0.998 182 R CB -1.047 29.221 30.300 -0.055 0.000 0.895 182 R HN 0.322 nan 8.270 nan 0.000 0.442 183 T N 2.993 117.445 114.554 -0.169 0.000 2.414 183 T HA -0.123 4.227 4.350 -0.000 0.000 0.189 183 T C 0.306 174.796 174.700 -0.350 0.000 1.023 183 T CA 0.756 62.632 62.100 -0.373 0.000 1.182 183 T CB 0.048 68.453 68.868 -0.771 0.000 0.980 183 T HN 0.079 nan 8.240 nan 0.000 0.432 184 K N 2.319 122.539 120.400 -0.301 0.000 3.277 184 K HA 0.136 4.456 4.320 -0.000 0.000 0.291 184 K C -0.243 176.281 176.600 -0.127 0.000 0.994 184 K CA 0.006 56.197 56.287 -0.161 0.000 1.147 184 K CB -0.653 31.778 32.500 -0.114 0.000 1.185 184 K HN 0.496 nan 8.250 nan 0.000 0.422 185 Y N 1.147 121.450 120.300 0.005 0.000 2.805 185 Y HA -0.114 4.436 4.550 -0.000 0.000 0.331 185 Y C 0.615 176.526 175.900 0.018 0.000 1.241 185 Y CA 0.057 58.166 58.100 0.014 0.000 1.546 185 Y CB 0.080 38.548 38.460 0.014 0.000 1.248 185 Y HN -0.038 nan 8.280 nan 0.000 0.559 186 K N 3.167 123.675 120.400 0.181 0.000 2.412 186 K HA -0.013 4.307 4.320 -0.000 0.000 0.281 186 K C 0.984 177.650 176.600 0.111 0.000 1.027 186 K CA 0.054 56.405 56.287 0.107 0.000 0.989 186 K CB 0.228 32.776 32.500 0.080 0.000 0.935 186 K HN 0.680 nan 8.250 nan 0.000 0.475 187 E N 0.654 120.904 120.200 0.082 0.000 2.511 187 E HA -0.091 4.259 4.350 -0.000 0.000 0.196 187 E C -0.190 176.437 176.600 0.045 0.000 1.066 187 E CA 0.384 56.825 56.400 0.069 0.000 0.871 187 E CB 0.215 29.949 29.700 0.058 0.000 0.863 187 E HN 0.279 nan 8.360 nan 0.000 0.520 188 E N 0.543 120.770 120.200 0.044 0.000 2.113 188 E HA 0.353 4.703 4.350 -0.000 0.000 0.273 188 E C 0.010 176.627 176.600 0.028 0.000 0.924 188 E CA -0.072 56.345 56.400 0.029 0.000 0.764 188 E CB 1.139 30.853 29.700 0.025 0.000 1.104 188 E HN 0.264 nan 8.360 nan 0.000 0.406 189 G N 2.165 110.973 108.800 0.012 0.000 2.207 189 G HA2 -0.066 3.894 3.960 -0.000 0.000 0.216 189 G HA3 -0.066 3.894 3.960 -0.000 0.000 0.216 189 G C -0.515 174.387 174.900 0.003 0.000 1.053 189 G CA -0.040 45.065 45.100 0.008 0.000 0.764 189 G HN 0.885 nan 8.290 nan 0.000 0.495 190 V N -1.370 118.531 119.914 -0.022 0.000 3.088 190 V HA 0.505 4.625 4.120 -0.000 0.000 0.272 190 V C -0.714 175.331 176.094 -0.082 0.000 1.611 190 V CA -0.238 62.037 62.300 -0.042 0.000 0.990 190 V CB 2.115 33.948 31.823 0.016 0.000 1.234 190 V HN 0.999 nan 8.190 nan 0.000 0.453 191 V N 4.340 124.146 119.914 -0.179 0.000 2.407 191 V HA 0.805 4.925 4.120 -0.000 0.000 0.278 191 V C 0.278 176.504 176.094 0.219 0.000 1.037 191 V CA -0.007 62.191 62.300 -0.170 0.000 0.900 191 V CB 1.179 32.551 31.823 -0.753 0.000 0.983 191 V HN 1.005 nan 8.190 nan 0.000 0.459 192 T N 3.291 117.996 114.554 0.251 0.000 2.896 192 T HA 0.494 4.844 4.350 -0.000 0.000 0.297 192 T C 1.125 176.003 174.700 0.297 0.000 1.108 192 T CA -0.571 61.648 62.100 0.199 0.000 1.004 192 T CB 1.815 70.682 68.868 -0.002 0.000 1.159 192 T HN 0.383 nan 8.240 nan 0.000 0.499 193 I N 0.610 121.212 120.570 0.054 0.000 2.182 193 I HA -0.313 3.857 4.170 -0.000 0.000 0.248 193 I C 2.409 178.615 176.117 0.149 0.000 1.073 193 I CA 1.638 62.979 61.300 0.068 0.000 1.335 193 I CB -1.081 36.862 38.000 -0.094 0.000 1.031 193 I HN 0.620 nan 8.210 nan 0.000 0.420 194 K N 1.106 121.573 120.400 0.110 0.000 2.137 194 K HA 0.028 4.348 4.320 -0.000 0.000 0.202 194 K C 1.787 178.446 176.600 0.098 0.000 1.052 194 K CA 1.846 58.190 56.287 0.095 0.000 0.961 194 K CB -1.876 30.671 32.500 0.079 0.000 0.741 194 K HN 0.453 nan 8.250 nan 0.000 0.452 195 T N 1.814 116.434 114.554 0.109 0.000 2.822 195 T HA -0.152 4.198 4.350 -0.000 0.000 0.270 195 T C 1.926 176.676 174.700 0.084 0.000 1.064 195 T CA 1.622 63.770 62.100 0.081 0.000 1.131 195 T CB -0.289 68.620 68.868 0.067 0.000 0.858 195 T HN 0.381 nan 8.240 nan 0.000 0.483 196 I N -0.098 120.555 120.570 0.139 0.000 2.685 196 I HA 0.240 4.410 4.170 -0.000 0.000 0.251 196 I C 0.737 176.913 176.117 0.098 0.000 1.102 196 I CA 0.894 62.269 61.300 0.125 0.000 1.442 196 I CB 0.107 38.226 38.000 0.197 0.000 1.194 196 I HN -0.051 nan 8.210 nan 0.000 0.448 197 T N 2.422 117.043 114.554 0.112 0.000 2.756 197 T HA 0.254 4.604 4.350 -0.000 0.000 0.290 197 T C 0.975 175.714 174.700 0.065 0.000 0.985 197 T CA -0.700 61.447 62.100 0.078 0.000 0.955 197 T CB 0.578 69.493 68.868 0.078 0.000 0.930 197 T HN 0.199 nan 8.240 nan 0.000 0.451 198 K N 3.796 124.225 120.400 0.049 0.000 2.015 198 K HA -0.144 4.176 4.320 -0.000 0.000 0.220 198 K C 0.557 177.182 176.600 0.041 0.000 1.055 198 K CA 1.375 57.687 56.287 0.042 0.000 0.951 198 K CB -0.604 31.915 32.500 0.031 0.000 0.725 198 K HN 0.549 nan 8.250 nan 0.000 0.449 199 K N 2.502 122.924 120.400 0.035 0.000 2.543 199 K HA -0.076 4.244 4.320 -0.000 0.000 0.279 199 K C 0.273 176.895 176.600 0.036 0.000 1.001 199 K CA 0.228 56.534 56.287 0.031 0.000 1.088 199 K CB 0.099 32.615 32.500 0.027 0.000 0.863 199 K HN 0.133 nan 8.250 nan 0.000 0.488 200 D N 1.798 122.218 120.400 0.032 0.000 2.300 200 D HA -0.083 4.557 4.640 -0.000 0.000 0.235 200 D C 0.765 177.085 176.300 0.033 0.000 1.338 200 D CA 0.490 54.511 54.000 0.036 0.000 0.903 200 D CB 0.422 41.239 40.800 0.028 0.000 1.180 200 D HN 0.324 nan 8.370 nan 0.000 0.485 201 M N 0.188 119.809 119.600 0.035 0.000 2.240 201 M HA 0.192 4.672 4.480 -0.000 0.000 0.333 201 M C -0.110 176.200 176.300 0.016 0.000 1.110 201 M CA -0.293 55.023 55.300 0.026 0.000 1.173 201 M CB 0.671 33.291 32.600 0.033 0.000 1.458 201 M HN -0.028 nan 8.290 nan 0.000 0.458 202 V N 1.117 121.037 119.914 0.010 0.000 2.919 202 V HA 0.217 4.337 4.120 -0.000 0.000 0.316 202 V C 0.928 177.023 176.094 0.001 0.000 1.077 202 V CA -0.937 61.367 62.300 0.006 0.000 0.977 202 V CB 1.611 33.438 31.823 0.006 0.000 1.039 202 V HN 0.943 nan 8.190 nan 0.000 0.441 203 N N 1.604 120.303 118.700 -0.001 0.000 2.417 203 N HA -0.206 4.534 4.740 -0.000 0.000 0.187 203 N C 1.091 176.598 175.510 -0.006 0.000 1.027 203 N CA 1.444 54.491 53.050 -0.004 0.000 0.891 203 N CB -0.405 38.079 38.487 -0.005 0.000 0.956 203 N HN 0.780 nan 8.380 nan 0.000 0.442 204 K N -0.139 120.258 120.400 -0.004 0.000 2.167 204 K HA -0.018 4.302 4.320 -0.000 0.000 0.203 204 K C 0.951 177.545 176.600 -0.010 0.000 1.052 204 K CA 1.131 57.415 56.287 -0.006 0.000 0.956 204 K CB 0.048 32.547 32.500 -0.002 0.000 0.735 204 K HN 0.120 nan 8.250 nan 0.000 0.451 205 D N 1.217 121.611 120.400 -0.010 0.000 2.144 205 D HA -0.196 4.444 4.640 -0.000 0.000 0.199 205 D C 1.776 178.060 176.300 -0.026 0.000 0.984 205 D CA 1.002 54.989 54.000 -0.022 0.000 0.834 205 D CB -0.100 40.684 40.800 -0.027 0.000 0.955 205 D HN 0.175 nan 8.370 nan 0.000 0.465 206 Q N 0.057 119.847 119.800 -0.016 0.000 2.308 206 Q HA -0.154 4.186 4.340 -0.000 0.000 0.209 206 Q C 1.455 177.441 176.000 -0.022 0.000 0.985 206 Q CA 1.391 57.185 55.803 -0.015 0.000 0.881 206 Q CB 0.271 29.003 28.738 -0.011 0.000 0.917 206 Q HN 0.409 nan 8.270 nan 0.000 0.443 207 V N -3.642 116.258 119.914 -0.024 0.000 3.927 207 V HA 0.311 4.431 4.120 -0.000 0.000 0.190 207 V C 0.274 176.348 176.094 -0.034 0.000 1.201 207 V CA -0.316 61.966 62.300 -0.030 0.000 1.324 207 V CB 0.351 32.161 31.823 -0.022 0.000 1.545 207 V HN 0.123 nan 8.190 nan 0.000 0.534 208 L N 2.452 123.661 121.223 -0.023 0.000 2.492 208 L HA 0.619 4.959 4.340 -0.000 0.000 0.258 208 L C -1.064 175.801 176.870 -0.008 0.000 1.028 208 L CA -0.245 54.583 54.840 -0.020 0.000 0.900 208 L CB 0.999 43.048 42.059 -0.017 0.000 1.191 208 L HN 0.459 nan 8.230 nan 0.000 0.459 209 N N 4.958 123.656 118.700 -0.004 0.000 2.415 209 N HA 0.338 5.078 4.740 -0.000 0.000 0.246 209 N C -2.014 173.509 175.510 0.022 0.000 1.078 209 N CA -2.025 51.029 53.050 0.007 0.000 0.942 209 N CB 1.501 39.991 38.487 0.005 0.000 1.140 209 N HN 0.276 nan 8.380 nan 0.000 0.501 210 P HA -0.005 nan 4.420 nan 0.000 0.236 210 P C 0.206 177.521 177.300 0.026 0.000 1.172 210 P CA 0.663 63.774 63.100 0.018 0.000 0.759 210 P CB 0.275 31.980 31.700 0.008 0.000 0.843 211 I N -2.853 117.739 120.570 0.036 0.000 3.194 211 I HA 0.012 4.182 4.170 -0.000 0.000 0.271 211 I C 0.869 177.036 176.117 0.083 0.000 1.150 211 I CA 0.658 61.986 61.300 0.046 0.000 1.440 211 I CB -1.187 36.838 38.000 0.041 0.000 1.276 211 I HN -0.348 nan 8.210 nan 0.000 0.457 212 S N 4.238 119.994 115.700 0.094 0.000 3.399 212 S HA 0.077 4.547 4.470 -0.000 0.000 0.267 212 S C 0.029 174.785 174.600 0.260 0.000 1.088 212 S CA 0.343 58.641 58.200 0.163 0.000 1.306 212 S CB -1.126 62.106 63.200 0.054 0.000 1.601 212 S HN 0.171 nan 8.310 nan 0.000 0.558 213 K N 1.623 122.173 120.400 0.251 0.000 2.507 213 K HA 0.701 5.021 4.320 -0.000 0.000 0.251 213 K C -0.157 176.492 176.600 0.081 0.000 0.943 213 K CA -0.449 55.941 56.287 0.171 0.000 0.794 213 K CB 2.283 34.815 32.500 0.053 0.000 1.188 213 K HN 0.382 nan 8.250 nan 0.000 0.428 214 A N 2.693 125.461 122.820 -0.087 0.000 3.458 214 A HA 0.781 5.101 4.320 -0.000 0.000 0.205 214 A C -1.114 176.216 177.584 -0.423 0.000 1.060 214 A CA -0.514 51.316 52.037 -0.345 0.000 0.829 214 A CB 1.213 19.718 19.000 -0.824 0.000 1.419 214 A HN 0.549 nan 8.150 nan 0.000 0.644 215 K N -0.491 119.562 120.400 -0.577 0.000 2.532 215 K HA 0.455 4.775 4.320 -0.000 0.000 0.265 215 K C -1.615 174.420 176.600 -0.941 0.000 0.948 215 K CA -0.527 55.406 56.287 -0.591 0.000 0.842 215 K CB 2.259 34.537 32.500 -0.370 0.000 1.392 215 K HN 0.438 nan 8.250 nan 0.000 0.436 216 L N 3.820 124.532 121.223 -0.853 0.000 2.399 216 L HA 0.081 4.421 4.340 -0.000 0.000 0.257 216 L C -0.035 176.603 176.870 -0.386 0.000 1.236 216 L CA 0.244 54.550 54.840 -0.889 0.000 1.144 216 L CB -0.409 41.254 42.059 -0.660 0.000 1.379 216 L HN 0.747 nan 8.230 nan 0.000 0.414 217 D N 0.045 120.334 120.400 -0.184 0.000 2.369 217 D HA -0.014 4.626 4.640 -0.000 0.000 0.231 217 D C 0.317 176.689 176.300 0.120 0.000 0.967 217 D CA 0.170 54.169 54.000 -0.003 0.000 0.905 217 D CB 0.327 41.128 40.800 0.002 0.000 1.044 217 D HN 0.062 nan 8.370 nan 0.000 0.487 218 K N 1.039 121.621 120.400 0.303 0.000 2.144 218 K HA 0.263 4.583 4.320 -0.000 0.000 0.270 218 K C -0.375 176.371 176.600 0.244 0.000 1.005 218 K CA -0.534 55.867 56.287 0.190 0.000 0.932 218 K CB 0.990 33.505 32.500 0.024 0.000 1.021 218 K HN 0.152 nan 8.250 nan 0.000 0.462 219 D N 0.371 120.857 120.400 0.142 0.000 2.332 219 D HA 0.225 4.865 4.640 -0.000 0.000 0.252 219 D C 0.400 176.786 176.300 0.144 0.000 1.050 219 D CA -0.089 54.003 54.000 0.153 0.000 0.970 219 D CB 1.090 41.949 40.800 0.098 0.000 1.141 219 D HN 0.577 nan 8.370 nan 0.000 0.485 220 G N 1.609 110.511 108.800 0.170 0.000 2.337 220 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.290 220 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.290 220 G C 0.501 175.468 174.900 0.111 0.000 1.003 220 G CA 1.385 46.567 45.100 0.137 0.000 0.825 220 G HN 0.490 nan 8.290 nan 0.000 0.509 221 M N -1.790 117.892 119.600 0.136 0.000 3.112 221 M HA 0.430 4.910 4.480 -0.000 0.000 0.229 221 M C 0.498 176.800 176.300 0.003 0.000 1.673 221 M CA 0.060 55.354 55.300 -0.010 0.000 1.303 221 M CB 0.285 32.765 32.600 -0.200 0.000 1.159 221 M HN 0.113 nan 8.290 nan 0.000 0.588 222 Y N 2.842 123.199 120.300 0.095 0.000 2.632 222 Y HA 0.235 4.785 4.550 -0.000 0.000 0.329 222 Y C -2.079 174.052 175.900 0.386 0.000 1.174 222 Y CA -2.239 55.980 58.100 0.199 0.000 1.469 222 Y CB -0.955 37.423 38.460 -0.137 0.000 1.242 222 Y HN 0.185 nan 8.280 nan 0.000 0.540 223 P HA 0.059 nan 4.420 nan 0.000 0.282 223 P C 0.618 178.075 177.300 0.260 0.000 1.249 223 P CA -0.328 62.916 63.100 0.239 0.000 0.806 223 P CB 1.968 33.715 31.700 0.078 0.000 0.984 224 V N 0.683 120.605 119.914 0.012 0.000 2.515 224 V HA -0.190 3.930 4.120 -0.000 0.000 0.250 224 V C 2.257 178.256 176.094 -0.158 0.000 1.058 224 V CA 1.715 63.929 62.300 -0.144 0.000 1.064 224 V CB -1.759 29.811 31.823 -0.422 0.000 0.675 224 V HN 0.575 nan 8.190 nan 0.000 0.461 225 E N 0.058 120.201 120.200 -0.095 0.000 2.393 225 E HA -0.172 4.178 4.350 -0.000 0.000 0.201 225 E C 1.817 178.356 176.600 -0.101 0.000 1.025 225 E CA 1.594 57.964 56.400 -0.049 0.000 0.856 225 E CB -0.035 29.715 29.700 0.082 0.000 0.771 225 E HN 0.770 nan 8.360 nan 0.000 0.526 226 I N -1.720 118.716 120.570 -0.223 0.000 3.673 226 I HA 0.074 4.244 4.170 -0.000 0.000 0.281 226 I C 0.097 175.870 176.117 -0.572 0.000 1.182 226 I CA -0.232 60.783 61.300 -0.476 0.000 1.391 226 I CB 0.267 37.744 38.000 -0.871 0.000 1.383 226 I HN 0.012 nan 8.210 nan 0.000 0.456 227 W N 2.081 123.341 121.300 -0.066 0.000 2.438 227 W HA 0.437 5.097 4.660 -0.000 0.000 0.324 227 W C -0.024 176.381 176.519 -0.190 0.000 1.119 227 W CA -0.226 57.098 57.345 -0.034 0.000 1.221 227 W CB 0.582 30.078 29.460 0.061 0.000 1.253 227 W HN -0.051 nan 8.180 nan 0.000 0.555 228 H N 2.006 121.306 119.070 0.383 0.000 2.821 228 H HA 0.223 4.779 4.556 -0.000 0.000 0.373 228 H C -2.295 173.058 175.328 0.042 0.000 1.165 228 H CA -2.191 54.023 56.048 0.276 0.000 1.154 228 H CB 1.958 31.846 29.762 0.210 0.000 1.765 228 H HN 0.064 nan 8.280 nan 0.000 0.549 229 P HA -0.054 nan 4.420 nan 0.000 0.263 229 P C -0.260 176.899 177.300 -0.235 0.000 1.276 229 P CA 0.185 63.088 63.100 -0.330 0.000 0.986 229 P CB -0.134 31.269 31.700 -0.494 0.000 1.105 230 D N 6.069 126.352 120.400 -0.195 0.000 2.348 230 D HA 0.128 4.768 4.640 -0.000 0.000 0.253 230 D C -1.978 174.235 176.300 -0.145 0.000 1.161 230 D CA -2.357 51.584 54.000 -0.098 0.000 0.876 230 D CB 0.307 41.068 40.800 -0.064 0.000 1.160 230 D HN 0.217 nan 8.370 nan 0.000 0.459 231 P HA 0.212 nan 4.420 nan 0.000 0.277 231 P C -0.511 176.774 177.300 -0.024 0.000 1.354 231 P CA -0.403 62.699 63.100 0.002 0.000 0.891 231 P CB 0.903 32.655 31.700 0.086 0.000 1.058 232 A N 5.361 128.147 122.820 -0.056 0.000 2.311 232 A HA 0.109 4.429 4.320 -0.000 0.000 0.272 232 A C 1.629 179.196 177.584 -0.030 0.000 1.438 232 A CA 0.215 52.221 52.037 -0.052 0.000 0.819 232 A CB 0.143 19.096 19.000 -0.078 0.000 1.336 232 A HN 0.501 nan 8.150 nan 0.000 0.528 233 K N -0.732 119.648 120.400 -0.033 0.000 2.067 233 K HA 0.049 4.369 4.320 -0.000 0.000 0.203 233 K C 0.126 176.711 176.600 -0.025 0.000 1.048 233 K CA 0.951 57.224 56.287 -0.024 0.000 0.954 233 K CB -0.210 32.273 32.500 -0.028 0.000 0.737 233 K HN 0.575 nan 8.250 nan 0.000 0.444 234 N N 0.883 119.561 118.700 -0.036 0.000 2.361 234 N HA 0.240 4.980 4.740 -0.000 0.000 0.302 234 N C -1.478 174.001 175.510 -0.052 0.000 1.074 234 N CA -0.490 52.537 53.050 -0.038 0.000 0.850 234 N CB 1.891 40.352 38.487 -0.043 0.000 1.228 234 N HN 0.060 nan 8.380 nan 0.000 0.491 235 E N 0.539 120.712 120.200 -0.044 0.000 2.347 235 E HA 0.166 4.516 4.350 -0.000 0.000 0.285 235 E C -1.416 175.160 176.600 -0.040 0.000 0.925 235 E CA -0.437 55.929 56.400 -0.056 0.000 0.779 235 E CB 1.094 30.768 29.700 -0.043 0.000 1.233 235 E HN 0.521 nan 8.360 nan 0.000 0.414 236 N N 2.077 120.744 118.700 -0.055 0.000 2.401 236 N HA 0.261 5.001 4.740 -0.000 0.000 0.264 236 N C -1.511 173.983 175.510 -0.027 0.000 1.238 236 N CA 0.140 53.172 53.050 -0.029 0.000 0.889 236 N CB 0.735 39.206 38.487 -0.027 0.000 1.196 236 N HN 0.344 nan 8.380 nan 0.000 0.511 237 T N -0.524 114.005 114.554 -0.040 0.000 2.900 237 T HA 0.524 4.874 4.350 -0.000 0.000 0.303 237 T C -0.926 173.757 174.700 -0.028 0.000 1.142 237 T CA -0.835 61.243 62.100 -0.036 0.000 1.007 237 T CB 1.875 70.683 68.868 -0.100 0.000 1.156 237 T HN -0.079 nan 8.240 nan 0.000 0.490 238 R N 1.440 121.904 120.500 -0.061 0.000 2.637 238 R HA 0.696 5.036 4.340 -0.000 0.000 0.291 238 R C -1.298 174.705 176.300 -0.495 0.000 0.963 238 R CA -0.799 55.155 56.100 -0.244 0.000 0.901 238 R CB 1.671 31.874 30.300 -0.162 0.000 1.160 238 R HN 0.879 nan 8.270 nan 0.000 0.457 239 Y N -0.116 119.465 120.300 -1.199 0.000 2.655 239 Y HA 0.821 5.371 4.550 -0.000 0.000 0.336 239 Y C -1.227 173.637 175.900 -1.726 0.000 1.154 239 Y CA -1.914 55.421 58.100 -1.276 0.000 1.055 239 Y CB 1.315 39.456 38.460 -0.533 0.000 1.295 239 Y HN 0.466 nan 8.280 nan 0.000 0.465 240 F N -1.596 118.145 119.950 -0.348 0.000 2.890 240 F HA 0.799 5.326 4.527 -0.000 0.000 0.326 240 F C -0.296 175.409 175.800 -0.159 0.000 1.143 240 F CA -1.190 56.616 58.000 -0.323 0.000 0.906 240 F CB 0.805 39.590 39.000 -0.359 0.000 1.303 240 F HN 1.220 nan 8.300 nan 0.000 0.447 241 G N 0.765 109.676 108.800 0.185 0.000 2.333 241 G HA2 0.539 4.499 3.960 -0.000 0.000 0.288 241 G HA3 0.539 4.499 3.960 -0.000 0.000 0.288 241 G C -2.364 172.559 174.900 0.039 0.000 1.286 241 G CA -0.347 44.818 45.100 0.109 0.000 0.865 241 G HN 1.772 nan 8.290 nan 0.000 0.506 242 N N -2.420 116.263 118.700 -0.030 0.000 2.859 242 N HA 0.573 5.313 4.740 -0.000 0.000 0.250 242 N C -1.618 173.957 175.510 0.107 0.000 1.341 242 N CA -0.934 52.143 53.050 0.044 0.000 0.881 242 N CB 1.944 40.472 38.487 0.070 0.000 1.516 242 N HN 0.927 nan 8.380 nan 0.000 0.503 243 Y N 0.503 120.877 120.300 0.125 0.000 2.387 243 Y HA 0.669 5.219 4.550 -0.000 0.000 0.330 243 Y C -1.085 174.889 175.900 0.124 0.000 1.133 243 Y CA -0.282 57.956 58.100 0.229 0.000 1.152 243 Y CB 1.960 40.596 38.460 0.294 0.000 1.215 243 Y HN 0.674 nan 8.280 nan 0.000 0.466 244 T N 4.830 118.906 114.554 -0.798 0.000 3.103 244 T HA 0.420 4.770 4.350 -0.000 0.000 0.352 244 T C 0.195 174.337 174.700 -0.930 0.000 1.048 244 T CA -0.459 61.256 62.100 -0.642 0.000 1.175 244 T CB 0.282 68.986 68.868 -0.274 0.000 1.029 244 T HN 1.017 nan 8.240 nan 0.000 0.498 245 G N 0.882 108.939 108.800 -1.238 0.000 2.712 245 G HA2 0.613 4.573 3.960 -0.000 0.000 0.258 245 G HA3 0.613 4.573 3.960 -0.000 0.000 0.258 245 G C 0.438 175.255 174.900 -0.139 0.000 1.241 245 G CA 0.308 45.088 45.100 -0.533 0.000 0.923 245 G HN 1.273 nan 8.290 nan 0.000 0.548 246 G N -2.363 106.466 108.800 0.049 0.000 2.406 246 G HA2 0.367 4.327 3.960 -0.000 0.000 0.680 246 G HA3 0.367 4.327 3.960 -0.000 0.000 0.680 246 G C 0.386 175.366 174.900 0.133 0.000 1.338 246 G CA 0.690 45.822 45.100 0.054 0.000 0.941 246 G HN 1.453 nan 8.290 nan 0.000 0.633 247 T N -3.604 111.019 114.554 0.115 0.000 3.045 247 T HA 0.181 4.531 4.350 -0.000 0.000 0.239 247 T C 2.286 177.095 174.700 0.181 0.000 1.008 247 T CA 2.289 64.487 62.100 0.165 0.000 1.143 247 T CB -0.186 68.722 68.868 0.066 0.000 0.894 247 T HN 1.567 nan 8.240 nan 0.000 0.451 248 T N -0.340 114.275 114.554 0.102 0.000 3.015 248 T HA 0.151 4.501 4.350 -0.000 0.000 0.250 248 T C 0.858 175.584 174.700 0.043 0.000 1.057 248 T CA 0.060 62.211 62.100 0.085 0.000 1.066 248 T CB -0.969 67.936 68.868 0.061 0.000 0.959 248 T HN 0.296 nan 8.240 nan 0.000 0.488 249 T N 4.857 119.423 114.554 0.020 0.000 2.288 249 T HA -0.007 4.343 4.350 -0.000 0.000 0.190 249 T C -2.494 172.187 174.700 -0.032 0.000 1.069 249 T CA -0.171 61.918 62.100 -0.018 0.000 1.315 249 T CB -0.339 68.501 68.868 -0.045 0.000 1.007 249 T HN 0.334 nan 8.240 nan 0.000 0.447 250 P HA 0.241 nan 4.420 nan 0.000 0.271 250 P C -2.219 175.057 177.300 -0.039 0.000 1.218 250 P CA -1.451 61.634 63.100 -0.025 0.000 0.780 250 P CB 0.149 31.838 31.700 -0.017 0.000 0.901 251 P HA 0.260 nan 4.420 nan 0.000 0.284 251 P C -1.343 175.928 177.300 -0.048 0.000 1.258 251 P CA -0.349 62.727 63.100 -0.039 0.000 0.824 251 P CB 1.112 32.790 31.700 -0.038 0.000 1.038 252 V N 0.965 120.846 119.914 -0.055 0.000 2.932 252 V HA 0.585 4.705 4.120 -0.000 0.000 0.307 252 V C -0.499 175.505 176.094 -0.151 0.000 1.147 252 V CA -0.678 61.568 62.300 -0.091 0.000 0.951 252 V CB 1.763 33.543 31.823 -0.072 0.000 1.031 252 V HN 0.452 nan 8.190 nan 0.000 0.426 253 L N 1.732 122.818 121.223 -0.228 0.000 2.403 253 L HA 0.759 5.099 4.340 -0.000 0.000 0.253 253 L C -1.220 175.425 176.870 -0.375 0.000 1.045 253 L CA -0.295 54.335 54.840 -0.350 0.000 0.845 253 L CB 2.718 44.479 42.059 -0.498 0.000 1.447 253 L HN 0.671 nan 8.230 nan 0.000 0.411 254 Q N 1.849 121.405 119.800 -0.407 0.000 2.401 254 Q HA 0.381 4.721 4.340 -0.000 0.000 0.260 254 Q C -1.459 174.390 176.000 -0.251 0.000 1.034 254 Q CA -0.201 55.428 55.803 -0.290 0.000 0.737 254 Q CB 1.029 29.655 28.738 -0.187 0.000 1.227 254 Q HN 0.288 nan 8.270 nan 0.000 0.488 255 F N 1.556 121.444 119.950 -0.104 0.000 2.464 255 F HA 0.308 4.835 4.527 -0.000 0.000 0.353 255 F C 0.609 176.346 175.800 -0.105 0.000 1.191 255 F CA 0.062 57.996 58.000 -0.109 0.000 1.147 255 F CB 0.806 39.749 39.000 -0.095 0.000 1.294 255 F HN 0.078 nan 8.300 nan 0.000 0.583 256 T N 2.882 117.491 114.554 0.091 0.000 3.105 256 T HA 0.111 4.461 4.350 -0.000 0.000 0.321 256 T C 0.733 175.407 174.700 -0.043 0.000 1.135 256 T CA -0.639 61.465 62.100 0.007 0.000 1.053 256 T CB 1.126 69.990 68.868 -0.007 0.000 1.133 256 T HN 0.463 nan 8.240 nan 0.000 0.463 257 N N 1.870 120.536 118.700 -0.055 0.000 2.207 257 N HA -0.079 4.661 4.740 -0.000 0.000 0.182 257 N C 1.807 177.289 175.510 -0.048 0.000 1.020 257 N CA 2.454 55.458 53.050 -0.077 0.000 0.858 257 N CB 0.006 38.447 38.487 -0.076 0.000 0.991 257 N HN 0.649 nan 8.380 nan 0.000 0.427 258 T N 0.225 114.758 114.554 -0.035 0.000 2.737 258 T HA -0.014 4.336 4.350 -0.000 0.000 0.265 258 T C 0.847 175.536 174.700 -0.018 0.000 1.038 258 T CA 0.457 62.542 62.100 -0.024 0.000 1.144 258 T CB -0.010 68.845 68.868 -0.022 0.000 0.866 258 T HN 0.029 nan 8.240 nan 0.000 0.434 259 L N 2.549 123.757 121.223 -0.025 0.000 2.289 259 L HA 0.380 4.720 4.340 -0.000 0.000 0.285 259 L C -0.156 176.702 176.870 -0.020 0.000 1.049 259 L CA 0.041 54.867 54.840 -0.024 0.000 0.804 259 L CB 1.202 43.241 42.059 -0.032 0.000 1.195 259 L HN 0.262 nan 8.230 nan 0.000 0.428 260 T N 1.906 116.455 114.554 -0.008 0.000 2.902 260 T HA 0.558 4.908 4.350 -0.000 0.000 0.283 260 T C 0.062 174.762 174.700 -0.000 0.000 1.009 260 T CA -0.443 61.660 62.100 0.004 0.000 1.051 260 T CB 1.749 70.628 68.868 0.018 0.000 0.999 260 T HN 0.531 nan 8.240 nan 0.000 0.474 261 T N 1.510 116.072 114.554 0.013 0.000 2.863 261 T HA 0.519 4.869 4.350 -0.000 0.000 0.285 261 T C -0.321 174.420 174.700 0.068 0.000 1.009 261 T CA -0.682 61.431 62.100 0.022 0.000 0.989 261 T CB 1.410 70.280 68.868 0.003 0.000 1.004 261 T HN 0.393 nan 8.240 nan 0.000 0.455 262 V N 4.226 124.183 119.914 0.072 0.000 2.364 262 V HA 0.235 4.355 4.120 -0.000 0.000 0.272 262 V C 1.145 177.319 176.094 0.133 0.000 1.036 262 V CA -0.469 61.886 62.300 0.092 0.000 0.880 262 V CB 0.476 32.340 31.823 0.067 0.000 0.991 262 V HN 0.819 nan 8.190 nan 0.000 0.460 263 L N 3.663 124.971 121.223 0.141 0.000 2.554 263 L HA 0.155 4.495 4.340 -0.000 0.000 0.226 263 L C 0.797 177.729 176.870 0.103 0.000 1.137 263 L CA 0.138 55.069 54.840 0.152 0.000 0.863 263 L CB -0.326 41.824 42.059 0.152 0.000 0.985 263 L HN 0.408 nan 8.230 nan 0.000 0.451 264 L N 1.792 123.067 121.223 0.086 0.000 2.485 264 L HA -0.020 4.320 4.340 -0.000 0.000 0.275 264 L C 0.712 177.617 176.870 0.059 0.000 1.207 264 L CA 0.505 55.386 54.840 0.067 0.000 0.855 264 L CB 0.126 42.220 42.059 0.058 0.000 1.114 264 L HN 0.210 nan 8.230 nan 0.000 0.485 265 D N 1.955 122.384 120.400 0.048 0.000 2.469 265 D HA 0.035 4.675 4.640 -0.000 0.000 0.278 265 D C 0.601 176.921 176.300 0.033 0.000 1.231 265 D CA -0.197 53.825 54.000 0.038 0.000 1.075 265 D CB 0.263 41.081 40.800 0.030 0.000 1.121 265 D HN 0.596 nan 8.370 nan 0.000 0.571 266 E N -1.074 119.141 120.200 0.025 0.000 2.333 266 E HA -0.094 4.256 4.350 -0.000 0.000 0.198 266 E C 0.560 177.174 176.600 0.024 0.000 1.007 266 E CA 0.733 57.146 56.400 0.022 0.000 0.845 266 E CB -0.111 29.599 29.700 0.016 0.000 0.766 266 E HN 0.343 nan 8.360 nan 0.000 0.507 267 N N -0.356 118.360 118.700 0.027 0.000 2.200 267 N HA 0.092 4.832 4.740 -0.000 0.000 0.224 267 N C 0.185 175.716 175.510 0.035 0.000 1.179 267 N CA 0.583 53.651 53.050 0.028 0.000 0.877 267 N CB 1.724 40.227 38.487 0.026 0.000 1.072 267 N HN 0.144 nan 8.380 nan 0.000 0.519 268 G N 0.894 109.716 108.800 0.037 0.000 2.326 268 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.286 268 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.286 268 G C 0.464 175.392 174.900 0.047 0.000 1.096 268 G CA 0.437 45.563 45.100 0.043 0.000 1.003 268 G HN 0.211 nan 8.290 nan 0.000 0.503 269 V N -0.445 119.497 119.914 0.047 0.000 3.251 269 V HA 0.602 4.722 4.120 -0.000 0.000 0.239 269 V C 2.236 178.363 176.094 0.055 0.000 1.332 269 V CA 1.540 63.870 62.300 0.050 0.000 1.224 269 V CB -0.199 31.649 31.823 0.042 0.000 1.004 269 V HN 2.224 nan 8.190 nan 0.000 0.464 270 G N 1.550 110.383 108.800 0.054 0.000 2.682 270 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.256 270 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.256 270 G C -2.773 172.163 174.900 0.060 0.000 1.333 270 G CA -0.097 45.040 45.100 0.063 0.000 0.904 270 G HN 0.385 nan 8.290 nan 0.000 0.569 271 P HA 0.630 nan 4.420 nan 0.000 0.280 271 P C -0.421 176.928 177.300 0.081 0.000 1.272 271 P CA -0.547 62.594 63.100 0.068 0.000 0.819 271 P CB 0.724 32.470 31.700 0.078 0.000 1.122 272 L N 0.536 121.808 121.223 0.081 0.000 2.404 272 L HA 0.362 4.702 4.340 -0.000 0.000 0.272 272 L C -0.561 176.379 176.870 0.117 0.000 0.980 272 L CA -0.653 54.245 54.840 0.097 0.000 0.836 272 L CB 1.330 43.431 42.059 0.070 0.000 1.238 272 L HN 0.319 nan 8.230 nan 0.000 0.408 273 C N 3.141 122.536 119.300 0.158 0.000 2.734 273 C HA 0.054 4.514 4.460 -0.000 0.000 0.398 273 C C 1.068 176.153 174.990 0.158 0.000 1.090 273 C CA -0.843 58.280 59.018 0.174 0.000 1.251 273 C CB -2.085 25.767 27.740 0.186 0.000 1.789 273 C HN 0.623 nan 8.230 nan 0.000 0.556 274 K N 1.984 122.461 120.400 0.130 0.000 2.378 274 K HA 0.435 4.755 4.320 -0.000 0.000 0.288 274 K C 0.497 177.171 176.600 0.123 0.000 1.057 274 K CA 0.442 56.786 56.287 0.095 0.000 0.971 274 K CB 0.216 32.751 32.500 0.057 0.000 0.975 274 K HN 0.793 nan 8.250 nan 0.000 0.475 275 G N 3.213 112.077 108.800 0.107 0.000 3.316 275 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.445 275 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.445 275 G C 0.066 175.038 174.900 0.120 0.000 1.002 275 G CA -0.647 44.517 45.100 0.108 0.000 0.818 275 G HN 0.711 nan 8.290 nan 0.000 0.404 276 E N 0.021 120.290 120.200 0.116 0.000 2.475 276 E HA -0.077 4.273 4.350 -0.000 0.000 0.207 276 E C 1.588 178.234 176.600 0.076 0.000 1.155 276 E CA 1.070 57.575 56.400 0.174 0.000 0.938 276 E CB -0.786 29.039 29.700 0.209 0.000 0.899 276 E HN 1.106 nan 8.360 nan 0.000 0.623 277 G N 0.589 109.379 108.800 -0.016 0.000 2.395 277 G HA2 0.438 4.398 3.960 -0.000 0.000 0.283 277 G HA3 0.438 4.398 3.960 -0.000 0.000 0.283 277 G C -0.673 174.062 174.900 -0.275 0.000 1.178 277 G CA -0.604 44.335 45.100 -0.268 0.000 0.837 277 G HN 0.193 nan 8.290 nan 0.000 0.518 278 L N 1.995 122.990 121.223 -0.380 0.000 2.313 278 L HA 0.528 4.868 4.340 -0.000 0.000 0.283 278 L C -1.211 175.460 176.870 -0.332 0.000 1.013 278 L CA -1.037 53.673 54.840 -0.218 0.000 0.816 278 L CB 1.354 43.289 42.059 -0.207 0.000 1.236 278 L HN 0.539 nan 8.230 nan 0.000 0.419 279 Y N 5.462 125.725 120.300 -0.061 0.000 2.464 279 Y HA 0.408 4.958 4.550 -0.000 0.000 0.326 279 Y C -0.073 175.797 175.900 -0.051 0.000 0.969 279 Y CA -0.637 57.420 58.100 -0.071 0.000 1.270 279 Y CB 1.073 39.489 38.460 -0.074 0.000 1.103 279 Y HN 0.325 nan 8.280 nan 0.000 0.491 280 L N 3.257 124.483 121.223 0.005 0.000 2.343 280 L HA 0.811 5.151 4.340 -0.000 0.000 0.275 280 L C -0.169 176.723 176.870 0.036 0.000 1.056 280 L CA -0.647 54.167 54.840 -0.043 0.000 0.804 280 L CB 1.518 43.275 42.059 -0.505 0.000 1.203 280 L HN 0.556 nan 8.230 nan 0.000 0.440 281 S N 0.743 116.580 115.700 0.228 0.000 2.537 281 S HA 0.756 5.226 4.470 -0.000 0.000 0.271 281 S C -0.738 174.231 174.600 0.615 0.000 1.148 281 S CA -0.934 57.464 58.200 0.331 0.000 0.868 281 S CB 1.696 65.009 63.200 0.188 0.000 1.115 281 S HN 1.029 nan 8.310 nan 0.000 0.461 282 C N -0.405 119.293 119.300 0.662 0.000 3.233 282 C HA 0.934 5.394 4.460 -0.000 0.000 0.358 282 C C -1.796 173.335 174.990 0.234 0.000 1.461 282 C CA -0.355 59.027 59.018 0.606 0.000 1.180 282 C CB 0.571 28.654 27.740 0.572 0.000 1.604 282 C HN 1.892 nan 8.230 nan 0.000 0.437 283 V N -1.493 118.474 119.914 0.089 0.000 2.739 283 V HA 0.573 4.693 4.120 -0.000 0.000 0.293 283 V C -1.681 174.458 176.094 0.074 0.000 1.199 283 V CA -0.207 62.053 62.300 -0.066 0.000 0.931 283 V CB 1.536 33.157 31.823 -0.337 0.000 1.052 283 V HN 0.949 nan 8.190 nan 0.000 0.441 284 D N 5.052 125.505 120.400 0.089 0.000 2.441 284 D HA 0.428 5.068 4.640 -0.000 0.000 0.287 284 D C -0.299 176.055 176.300 0.089 0.000 1.198 284 D CA -0.161 53.979 54.000 0.232 0.000 0.894 284 D CB 2.015 42.996 40.800 0.302 0.000 1.070 284 D HN 0.484 nan 8.370 nan 0.000 0.499 285 I N 1.287 121.814 120.570 -0.072 0.000 2.588 285 I HA 0.031 4.201 4.170 -0.000 0.000 0.283 285 I C 1.766 177.825 176.117 -0.097 0.000 1.119 285 I CA 0.269 61.515 61.300 -0.090 0.000 1.419 285 I CB 0.793 38.770 38.000 -0.040 0.000 1.394 285 I HN 0.165 nan 8.210 nan 0.000 0.562 286 M N 3.306 122.887 119.600 -0.032 0.000 2.449 286 M HA 0.389 4.869 4.480 -0.000 0.000 0.262 286 M C 0.742 176.965 176.300 -0.127 0.000 1.152 286 M CA 0.269 55.554 55.300 -0.026 0.000 1.104 286 M CB 0.290 32.887 32.600 -0.004 0.000 1.416 286 M HN 0.829 nan 8.290 nan 0.000 0.519 287 G N 0.485 109.169 108.800 -0.193 0.000 2.353 287 G HA2 0.020 3.980 3.960 -0.000 0.000 0.424 287 G HA3 0.020 3.980 3.960 -0.000 0.000 0.424 287 G C -2.146 172.539 174.900 -0.359 0.000 1.320 287 G CA -1.206 43.551 45.100 -0.572 0.000 0.995 287 G HN 0.333 nan 8.290 nan 0.000 0.580 288 W N 0.277 121.670 121.300 0.155 0.000 2.316 288 W HA 0.718 5.378 4.660 -0.000 0.000 0.311 288 W C 0.841 177.475 176.519 0.191 0.000 1.217 288 W CA -0.962 56.511 57.345 0.213 0.000 1.199 288 W CB 0.759 30.333 29.460 0.189 0.000 1.202 288 W HN 0.596 nan 8.180 nan 0.000 0.528 289 R N 2.633 123.343 120.500 0.351 0.000 2.254 289 R HA 0.484 4.824 4.340 -0.000 0.000 0.318 289 R C -1.333 174.956 176.300 -0.017 0.000 1.031 289 R CA -0.510 55.679 56.100 0.149 0.000 0.905 289 R CB 0.805 31.169 30.300 0.107 0.000 1.050 289 R HN 0.542 nan 8.270 nan 0.000 0.456 290 V N 4.193 124.077 119.914 -0.049 0.000 2.347 290 V HA 0.183 4.303 4.120 -0.000 0.000 0.280 290 V C 0.452 176.433 176.094 -0.189 0.000 1.021 290 V CA -0.932 61.247 62.300 -0.201 0.000 0.847 290 V CB 1.063 32.705 31.823 -0.301 0.000 0.990 290 V HN 0.939 nan 8.190 nan 0.000 0.444 291 T N 2.148 116.581 114.554 -0.201 0.000 2.902 291 T HA 0.120 4.470 4.350 -0.000 0.000 0.301 291 T C 0.440 175.033 174.700 -0.179 0.000 1.012 291 T CA -0.555 61.457 62.100 -0.146 0.000 1.151 291 T CB 0.580 69.405 68.868 -0.071 0.000 0.946 291 T HN 0.563 nan 8.240 nan 0.000 0.542 292 R N 3.630 123.972 120.500 -0.263 0.000 2.488 292 R HA 0.108 4.448 4.340 -0.000 0.000 0.306 292 R C 0.147 176.181 176.300 -0.443 0.000 1.271 292 R CA 0.299 56.124 56.100 -0.458 0.000 1.022 292 R CB -1.403 28.252 30.300 -1.075 0.000 1.054 292 R HN 0.986 nan 8.270 nan 0.000 0.500 293 N N 2.161 120.701 118.700 -0.267 0.000 2.510 293 N HA -0.086 4.654 4.740 -0.000 0.000 0.295 293 N C -0.878 174.531 175.510 -0.170 0.000 1.477 293 N CA -0.220 52.710 53.050 -0.200 0.000 1.649 293 N CB 0.060 38.489 38.487 -0.096 0.000 1.207 293 N HN 0.165 nan 8.380 nan 0.000 1.376 294 Y N 1.462 121.691 120.300 -0.117 0.000 2.956 294 Y HA 0.418 4.967 4.550 -0.000 0.000 0.381 294 Y C -0.226 175.599 175.900 -0.126 0.000 1.244 294 Y CA 0.284 58.326 58.100 -0.097 0.000 1.291 294 Y CB 0.208 38.627 38.460 -0.069 0.000 1.454 294 Y HN 0.270 nan 8.280 nan 0.000 0.797 295 D N 0.080 120.606 120.400 0.211 0.000 2.863 295 D HA 0.270 4.910 4.640 -0.000 0.000 0.323 295 D C -1.316 174.937 176.300 -0.079 0.000 1.286 295 D CA 0.095 54.074 54.000 -0.035 0.000 0.921 295 D CB 0.256 41.048 40.800 -0.013 0.000 1.024 295 D HN 0.016 nan 8.370 nan 0.000 0.505 296 V N 1.492 121.378 119.914 -0.046 0.000 2.326 296 V HA 0.051 4.171 4.120 -0.000 0.000 0.249 296 V C 0.832 176.930 176.094 0.007 0.000 1.114 296 V CA -0.256 62.066 62.300 0.036 0.000 1.028 296 V CB -0.076 31.820 31.823 0.121 0.000 1.170 296 V HN 0.442 nan 8.190 nan 0.000 0.494 297 H N 2.636 121.705 119.070 -0.002 0.000 2.682 297 H HA 0.089 4.645 4.556 -0.000 0.000 0.293 297 H C 1.002 176.435 175.328 0.176 0.000 1.080 297 H CA -0.216 55.825 56.048 -0.011 0.000 1.189 297 H CB -0.556 29.034 29.762 -0.287 0.000 1.311 297 H HN 0.923 nan 8.280 nan 0.000 0.599 298 H N -1.533 117.678 119.070 0.235 0.000 3.107 298 H HA -0.041 4.515 4.556 -0.000 0.000 0.301 298 H C -0.105 175.609 175.328 0.643 0.000 0.981 298 H CA -0.725 55.567 56.048 0.406 0.000 1.443 298 H CB -0.137 29.728 29.762 0.172 0.000 1.479 298 H HN 0.491 nan 8.280 nan 0.000 0.564 299 W N 3.559 125.186 121.300 0.545 0.000 2.315 299 W HA 0.440 5.100 4.660 -0.000 0.000 0.316 299 W C -0.147 176.618 176.519 0.410 0.000 1.211 299 W CA -1.680 55.945 57.345 0.468 0.000 1.201 299 W CB 0.747 30.432 29.460 0.376 0.000 1.184 299 W HN 0.600 nan 8.180 nan 0.000 0.544 300 R N 2.584 123.349 120.500 0.441 0.000 2.459 300 R HA 0.639 4.979 4.340 -0.000 0.000 0.281 300 R C -0.007 176.187 176.300 -0.177 0.000 1.050 300 R CA -0.123 55.905 56.100 -0.120 0.000 1.055 300 R CB 0.991 31.145 30.300 -0.244 0.000 1.045 300 R HN 0.862 nan 8.270 nan 0.000 0.495 301 G N 2.596 111.200 108.800 -0.327 0.000 2.605 301 G HA2 0.625 4.585 3.960 -0.000 0.000 0.296 301 G HA3 0.625 4.585 3.960 -0.000 0.000 0.296 301 G C -1.565 173.192 174.900 -0.238 0.000 1.304 301 G CA -0.737 44.234 45.100 -0.216 0.000 0.941 301 G HN 0.466 nan 8.290 nan 0.000 0.475 302 L N 0.792 121.938 121.223 -0.128 0.000 2.327 302 L HA 0.600 4.940 4.340 -0.000 0.000 0.258 302 L C -2.136 174.707 176.870 -0.045 0.000 1.024 302 L CA -2.058 52.717 54.840 -0.109 0.000 0.825 302 L CB 3.420 45.426 42.059 -0.087 0.000 1.386 302 L HN 0.374 nan 8.230 nan 0.000 0.417 303 P HA 0.332 nan 4.420 nan 0.000 0.281 303 P C -1.686 175.678 177.300 0.107 0.000 1.281 303 P CA -0.708 62.437 63.100 0.075 0.000 0.811 303 P CB 1.715 33.463 31.700 0.079 0.000 1.154 304 R N 0.721 121.362 120.500 0.234 0.000 2.564 304 R HA 0.333 4.673 4.340 -0.000 0.000 0.284 304 R C -1.454 175.106 176.300 0.433 0.000 1.031 304 R CA -0.743 55.489 56.100 0.221 0.000 0.904 304 R CB 1.160 31.546 30.300 0.143 0.000 1.199 304 R HN 0.508 nan 8.270 nan 0.000 0.443 305 Y N 4.274 124.623 120.300 0.082 0.000 2.301 305 Y HA 0.504 5.054 4.550 -0.000 0.000 0.328 305 Y C -1.492 174.412 175.900 0.006 0.000 1.242 305 Y CA 0.045 58.246 58.100 0.168 0.000 1.323 305 Y CB 0.813 39.286 38.460 0.022 0.000 1.266 305 Y HN 0.508 nan 8.280 nan 0.000 0.527 306 F N 4.063 123.624 119.950 -0.649 0.000 2.574 306 F HA 0.384 4.911 4.527 -0.000 0.000 0.313 306 F C -0.747 174.539 175.800 -0.857 0.000 1.130 306 F CA -1.190 56.481 58.000 -0.549 0.000 0.936 306 F CB 2.007 40.848 39.000 -0.264 0.000 1.219 306 F HN 0.353 nan 8.300 nan 0.000 0.445 307 K N 4.384 124.575 120.400 -0.348 0.000 2.575 307 K HA 0.582 4.902 4.320 -0.000 0.000 0.236 307 K C -1.548 175.022 176.600 -0.050 0.000 0.976 307 K CA -0.536 55.617 56.287 -0.224 0.000 0.985 307 K CB 0.659 33.142 32.500 -0.028 0.000 1.198 307 K HN 0.522 nan 8.250 nan 0.000 0.464 308 I N 3.203 123.749 120.570 -0.039 0.000 2.325 308 I HA 0.127 4.297 4.170 -0.000 0.000 0.291 308 I C 0.050 176.148 176.117 -0.031 0.000 1.019 308 I CA 0.003 61.300 61.300 -0.004 0.000 1.302 308 I CB 1.658 39.651 38.000 -0.012 0.000 1.401 308 I HN 0.421 nan 8.210 nan 0.000 0.485 309 T N 7.706 122.259 114.554 -0.001 0.000 2.743 309 T HA 0.723 5.073 4.350 -0.000 0.000 0.292 309 T C -0.434 174.264 174.700 -0.003 0.000 0.972 309 T CA -0.576 61.523 62.100 -0.002 0.000 0.967 309 T CB 0.633 69.515 68.868 0.024 0.000 0.926 309 T HN 0.384 nan 8.240 nan 0.000 0.459 310 L N 1.052 122.258 121.223 -0.029 0.000 2.466 310 L HA 0.768 5.108 4.340 -0.000 0.000 0.258 310 L C -0.561 176.349 176.870 0.066 0.000 0.973 310 L CA -1.260 53.580 54.840 -0.000 0.000 0.826 310 L CB 1.716 43.742 42.059 -0.054 0.000 1.372 310 L HN 0.763 nan 8.230 nan 0.000 0.409 311 R N 0.902 121.489 120.500 0.145 0.000 3.006 311 R HA 0.735 5.075 4.340 -0.000 0.000 0.235 311 R C -0.950 175.502 176.300 0.252 0.000 1.362 311 R CA -1.008 55.206 56.100 0.190 0.000 1.067 311 R CB 1.581 31.940 30.300 0.097 0.000 1.396 311 R HN 0.628 nan 8.270 nan 0.000 0.504 312 K N 1.138 121.581 120.400 0.073 0.000 2.263 312 K HA 0.274 4.594 4.320 -0.000 0.000 0.272 312 K C -0.531 175.918 176.600 -0.253 0.000 1.033 312 K CA -0.534 55.650 56.287 -0.172 0.000 0.884 312 K CB 1.787 34.064 32.500 -0.371 0.000 1.107 312 K HN 0.396 nan 8.250 nan 0.000 0.460 313 R N 2.390 122.753 120.500 -0.228 0.000 2.668 313 R HA 0.332 4.672 4.340 -0.000 0.000 0.279 313 R C -1.083 175.067 176.300 -0.250 0.000 0.976 313 R CA -0.616 55.382 56.100 -0.171 0.000 0.978 313 R CB 1.007 31.300 30.300 -0.011 0.000 1.133 313 R HN 0.528 nan 8.270 nan 0.000 0.484 314 W N 3.094 124.390 121.300 -0.006 0.000 2.381 314 W HA 0.459 5.119 4.660 -0.000 0.000 0.329 314 W C -0.434 176.083 176.519 -0.004 0.000 1.157 314 W CA -0.323 57.015 57.345 -0.012 0.000 1.240 314 W CB 1.654 31.109 29.460 -0.009 0.000 1.199 314 W HN 0.217 nan 8.180 nan 0.000 0.579 315 V N 0.255 120.380 119.914 0.352 0.000 3.181 315 V HA 0.450 4.570 4.120 -0.000 0.000 0.307 315 V C -0.826 175.356 176.094 0.147 0.000 1.310 315 V CA -1.759 60.652 62.300 0.185 0.000 1.067 315 V CB 1.539 33.431 31.823 0.116 0.000 1.081 315 V HN 0.384 nan 8.190 nan 0.000 0.453 316 K N 1.647 122.099 120.400 0.088 0.000 2.185 316 K HA 0.350 4.670 4.320 -0.000 0.000 0.269 316 K C -0.324 176.314 176.600 0.062 0.000 0.987 316 K CA -0.546 55.778 56.287 0.062 0.000 0.865 316 K CB 1.119 33.641 32.500 0.036 0.000 1.090 316 K HN 0.796 nan 8.250 nan 0.000 0.450 317 N N 5.027 123.774 118.700 0.079 0.000 2.414 317 N HA -0.020 4.720 4.740 -0.000 0.000 0.268 317 N C -2.151 173.392 175.510 0.056 0.000 1.286 317 N CA -1.303 51.815 53.050 0.113 0.000 0.896 317 N CB 1.035 39.606 38.487 0.139 0.000 1.093 317 N HN 0.385 nan 8.380 nan 0.000 0.480 318 P HA 0.010 nan 4.420 nan 0.000 0.220 318 P C 0.594 177.786 177.300 -0.181 0.000 1.154 318 P CA 0.871 63.875 63.100 -0.160 0.000 0.830 318 P CB 0.014 31.528 31.700 -0.310 0.000 0.803 319 Y N 0.676 120.986 120.300 0.017 0.000 2.365 319 Y HA -0.125 4.425 4.550 -0.000 0.000 0.287 319 Y C -0.388 175.516 175.900 0.006 0.000 1.162 319 Y CA 1.069 59.176 58.100 0.012 0.000 1.260 319 Y CB -2.685 35.781 38.460 0.010 0.000 0.976 319 Y HN 0.228 nan 8.280 nan 0.000 0.548 320 P HA -0.107 nan 4.420 nan 0.000 0.236 320 P C -0.080 177.241 177.300 0.036 0.000 1.172 320 P CA 0.947 64.093 63.100 0.075 0.000 0.759 320 P CB -0.062 31.671 31.700 0.056 0.000 0.843 321 M N 0.521 120.135 119.600 0.022 0.000 2.974 321 M HA 0.311 4.791 4.480 -0.000 0.000 0.301 321 M C 0.805 177.103 176.300 -0.002 0.000 1.409 321 M CA -1.709 53.587 55.300 -0.005 0.000 1.515 321 M CB -1.118 31.473 32.600 -0.015 0.000 1.163 321 M HN -0.154 nan 8.290 nan 0.000 0.520 322 A N 2.364 125.182 122.820 -0.004 0.000 2.688 322 A HA 0.018 4.338 4.320 -0.000 0.000 0.230 322 A C 1.553 179.131 177.584 -0.010 0.000 1.171 322 A CA 0.901 52.936 52.037 -0.004 0.000 0.913 322 A CB -0.230 18.760 19.000 -0.016 0.000 1.033 322 A HN 0.933 nan 8.150 nan 0.000 0.514 323 S N 0.851 116.550 115.700 -0.001 0.000 2.180 323 S HA -0.340 4.130 4.470 -0.000 0.000 0.422 323 S C 1.391 175.987 174.600 -0.006 0.000 1.021 323 S CA 2.389 60.590 58.200 0.001 0.000 2.417 323 S CB -1.170 62.028 63.200 -0.003 0.000 1.807 323 S HN 0.853 nan 8.310 nan 0.000 0.507 324 L N 0.835 122.042 121.223 -0.025 0.000 2.554 324 L HA 0.365 4.705 4.340 -0.000 0.000 0.225 324 L C 2.042 178.858 176.870 -0.090 0.000 1.104 324 L CA 0.149 54.969 54.840 -0.033 0.000 0.866 324 L CB -0.480 41.562 42.059 -0.027 0.000 1.047 324 L HN 0.287 nan 8.230 nan 0.000 0.468 325 I N 0.291 120.787 120.570 -0.125 0.000 2.700 325 I HA -0.201 3.969 4.170 -0.000 0.000 0.261 325 I C 2.024 177.945 176.117 -0.326 0.000 1.219 325 I CA 1.548 62.703 61.300 -0.242 0.000 1.463 325 I CB -0.213 37.685 38.000 -0.170 0.000 1.092 325 I HN 0.471 nan 8.210 nan 0.000 0.452 326 S N -2.487 113.138 115.700 -0.126 0.000 2.784 326 S HA 0.070 4.540 4.470 -0.000 0.000 0.266 326 S C 1.598 176.257 174.600 0.099 0.000 1.079 326 S CA 0.311 58.519 58.200 0.013 0.000 0.989 326 S CB 0.195 63.407 63.200 0.020 0.000 0.926 326 S HN 0.181 nan 8.310 nan 0.000 0.497 327 S N 1.436 117.164 115.700 0.048 0.000 2.355 327 S HA -0.203 4.267 4.470 -0.000 0.000 0.318 327 S C 0.516 175.167 174.600 0.085 0.000 1.057 327 S CA 2.065 60.298 58.200 0.056 0.000 1.684 327 S CB -0.854 62.366 63.200 0.034 0.000 1.408 327 S HN 0.644 nan 8.310 nan 0.000 0.465 328 L N 1.161 122.441 121.223 0.096 0.000 2.335 328 L HA 0.429 4.769 4.340 -0.000 0.000 0.268 328 L C -0.283 176.715 176.870 0.213 0.000 1.037 328 L CA -0.062 54.847 54.840 0.114 0.000 0.895 328 L CB 0.991 43.096 42.059 0.078 0.000 1.266 328 L HN 0.490 nan 8.230 nan 0.000 0.439 329 F N 2.558 122.505 119.950 -0.006 0.000 2.577 329 F HA 0.376 4.903 4.527 -0.000 0.000 0.282 329 F C 0.952 176.748 175.800 -0.007 0.000 0.957 329 F CA 0.111 58.108 58.000 -0.006 0.000 1.168 329 F CB 0.094 39.089 39.000 -0.008 0.000 0.958 329 F HN 0.434 nan 8.300 nan 0.000 0.702 330 N N 0.041 118.645 118.700 -0.159 0.000 2.718 330 N HA 0.151 4.891 4.740 -0.000 0.000 0.298 330 N C -0.728 174.692 175.510 -0.150 0.000 1.369 330 N CA -0.506 52.364 53.050 -0.300 0.000 0.839 330 N CB -0.008 38.317 38.487 -0.270 0.000 1.108 330 N HN -0.027 nan 8.380 nan 0.000 0.489 331 N N 0.966 119.590 118.700 -0.127 0.000 2.466 331 N HA 0.083 4.823 4.740 -0.000 0.000 0.263 331 N C 0.031 175.510 175.510 -0.053 0.000 1.178 331 N CA 0.047 53.049 53.050 -0.080 0.000 0.983 331 N CB 0.443 38.884 38.487 -0.076 0.000 1.331 331 N HN 0.356 nan 8.380 nan 0.000 0.500 332 M N 1.255 120.833 119.600 -0.036 0.000 1.676 332 M HA 0.155 4.635 4.480 -0.000 0.000 0.184 332 M C -1.014 175.282 176.300 -0.008 0.000 1.292 332 M CA 0.320 55.611 55.300 -0.016 0.000 0.847 332 M CB 0.067 32.666 32.600 -0.001 0.000 1.623 332 M HN 0.214 nan 8.290 nan 0.000 0.603 333 L N 4.005 125.226 121.223 -0.005 0.000 2.745 333 L HA -0.016 4.324 4.340 -0.000 0.000 0.273 333 L C -1.653 175.215 176.870 -0.003 0.000 1.156 333 L CA -0.771 54.071 54.840 0.003 0.000 0.982 333 L CB -0.587 41.477 42.059 0.009 0.000 1.295 333 L HN 0.230 nan 8.230 nan 0.000 0.483 334 P HA 0.019 nan 4.420 nan 0.000 0.219 334 P C 0.087 177.387 177.300 0.001 0.000 1.231 334 P CA 0.272 63.372 63.100 -0.000 0.000 0.673 334 P CB 0.297 31.998 31.700 0.003 0.000 0.768 335 Q N -1.981 117.821 119.800 0.003 0.000 3.323 335 Q HA 0.279 4.619 4.340 -0.000 0.000 0.329 335 Q C 0.959 176.962 176.000 0.006 0.000 0.939 335 Q CA -0.393 55.412 55.803 0.004 0.000 0.828 335 Q CB 0.438 29.178 28.738 0.003 0.000 1.564 335 Q HN -0.009 nan 8.270 nan 0.000 0.463 336 V N -0.745 119.172 119.914 0.005 0.000 2.300 336 V HA 0.075 4.195 4.120 -0.000 0.000 0.233 336 V C 0.358 176.455 176.094 0.006 0.000 1.052 336 V CA 0.557 62.861 62.300 0.006 0.000 1.026 336 V CB -1.130 30.696 31.823 0.006 0.000 0.661 336 V HN 0.627 nan 8.190 nan 0.000 0.470 337 Q N 2.213 122.016 119.800 0.005 0.000 3.551 337 Q HA 0.248 4.588 4.340 -0.000 0.000 0.368 337 Q C 0.173 176.176 176.000 0.005 0.000 1.097 337 Q CA 0.876 56.682 55.803 0.005 0.000 1.274 337 Q CB -0.859 27.881 28.738 0.005 0.000 0.967 337 Q HN 0.823 nan 8.270 nan 0.000 0.437 338 G N 1.942 110.746 108.800 0.006 0.000 2.696 338 G HA2 0.293 4.253 3.960 -0.000 0.000 0.295 338 G HA3 0.293 4.253 3.960 -0.000 0.000 0.295 338 G C -1.266 173.638 174.900 0.006 0.000 1.398 338 G CA -0.858 44.246 45.100 0.006 0.000 0.920 338 G HN 0.556 nan 8.290 nan 0.000 0.492 339 Q N 1.068 120.872 119.800 0.005 0.000 3.405 339 Q HA -0.091 4.249 4.340 -0.000 0.000 0.402 339 Q C -1.619 174.385 176.000 0.005 0.000 1.085 339 Q CA -0.184 55.622 55.803 0.005 0.000 1.182 339 Q CB 0.254 28.995 28.738 0.005 0.000 1.168 339 Q HN 0.275 nan 8.270 nan 0.000 0.513 340 P HA -0.170 nan 4.420 nan 0.000 0.247 340 P C -0.451 176.853 177.300 0.005 0.000 1.141 340 P CA 0.755 63.858 63.100 0.005 0.000 0.858 340 P CB 0.351 32.053 31.700 0.003 0.000 0.804 341 M N 1.760 121.364 119.600 0.006 0.000 2.405 341 M HA 0.142 4.622 4.480 -0.000 0.000 0.292 341 M C 0.597 176.902 176.300 0.008 0.000 1.111 341 M CA 0.254 55.558 55.300 0.008 0.000 0.979 341 M CB -0.271 32.335 32.600 0.010 0.000 1.426 341 M HN 0.396 nan 8.290 nan 0.000 0.509 342 E N -1.265 118.938 120.200 0.006 0.000 2.363 342 E HA 0.667 5.017 4.350 -0.000 0.000 0.281 342 E C -0.231 176.371 176.600 0.003 0.000 0.953 342 E CA -0.742 55.661 56.400 0.005 0.000 0.778 342 E CB 1.780 31.484 29.700 0.006 0.000 1.220 342 E HN 0.090 nan 8.360 nan 0.000 0.431 343 G N 1.748 110.549 108.800 0.002 0.000 2.353 343 G HA2 -0.122 3.838 3.960 -0.000 0.000 0.615 343 G HA3 -0.122 3.838 3.960 -0.000 0.000 0.615 343 G C -0.157 174.742 174.900 -0.001 0.000 1.280 343 G CA -0.233 44.867 45.100 0.001 0.000 1.000 343 G HN 0.789 nan 8.290 nan 0.000 0.516 344 E N -0.981 119.217 120.200 -0.002 0.000 2.416 344 E HA 0.166 4.516 4.350 -0.000 0.000 0.189 344 E C 0.825 177.423 176.600 -0.003 0.000 1.091 344 E CA 0.605 57.002 56.400 -0.004 0.000 0.889 344 E CB -0.027 29.670 29.700 -0.005 0.000 1.015 344 E HN 0.417 nan 8.360 nan 0.000 0.479 345 N N 0.301 119.000 118.700 -0.002 0.000 2.217 345 N HA -0.011 4.729 4.740 -0.000 0.000 0.239 345 N C -0.677 174.833 175.510 0.000 0.000 1.330 345 N CA -0.119 52.931 53.050 -0.001 0.000 0.838 345 N CB 1.423 39.910 38.487 -0.001 0.000 1.287 345 N HN 0.021 nan 8.380 nan 0.000 0.498 346 T N 0.163 114.717 114.554 0.001 0.000 2.946 346 T HA -0.051 4.299 4.350 -0.000 0.000 0.312 346 T C 0.826 175.528 174.700 0.003 0.000 1.066 346 T CA 0.732 62.834 62.100 0.003 0.000 1.138 346 T CB 0.729 69.599 68.868 0.003 0.000 1.014 346 T HN 0.081 nan 8.240 nan 0.000 0.544 347 Q N 2.789 122.592 119.800 0.005 0.000 2.244 347 Q HA 0.309 4.649 4.340 -0.000 0.000 0.239 347 Q C -0.378 175.626 176.000 0.008 0.000 0.890 347 Q CA -0.023 55.783 55.803 0.006 0.000 0.964 347 Q CB 0.429 29.171 28.738 0.006 0.000 1.076 347 Q HN 0.458 nan 8.270 nan 0.000 0.447 348 V N 1.411 121.330 119.914 0.008 0.000 2.288 348 V HA 0.096 4.216 4.120 -0.000 0.000 0.266 348 V C 0.934 177.034 176.094 0.010 0.000 1.048 348 V CA -0.123 62.183 62.300 0.011 0.000 0.842 348 V CB 1.104 32.934 31.823 0.012 0.000 1.064 348 V HN 0.417 nan 8.190 nan 0.000 0.472 349 E N 3.391 123.598 120.200 0.012 0.000 2.208 349 E HA -0.040 4.310 4.350 -0.000 0.000 0.193 349 E C 0.713 177.322 176.600 0.014 0.000 0.988 349 E CA 0.681 57.087 56.400 0.011 0.000 0.828 349 E CB 0.671 30.378 29.700 0.012 0.000 0.763 349 E HN 0.879 nan 8.360 nan 0.000 0.478 350 E N -1.384 118.829 120.200 0.021 0.000 2.411 350 E HA 0.345 4.695 4.350 -0.000 0.000 0.279 350 E C -1.878 174.744 176.600 0.036 0.000 1.132 350 E CA -0.566 55.850 56.400 0.027 0.000 0.876 350 E CB 1.457 31.177 29.700 0.034 0.000 1.335 350 E HN -0.131 nan 8.360 nan 0.000 0.436 351 V N 1.169 121.108 119.914 0.042 0.000 3.048 351 V HA 0.703 4.823 4.120 -0.000 0.000 0.303 351 V C -1.239 174.892 176.094 0.061 0.000 1.214 351 V CA -0.603 61.729 62.300 0.053 0.000 0.984 351 V CB 2.123 33.971 31.823 0.041 0.000 1.054 351 V HN 0.832 nan 8.190 nan 0.000 0.430 352 R N 2.233 122.788 120.500 0.092 0.000 2.710 352 R HA 0.902 5.242 4.340 -0.000 0.000 0.270 352 R C -2.294 174.084 176.300 0.130 0.000 1.021 352 R CA -0.723 55.422 56.100 0.075 0.000 0.889 352 R CB 2.113 32.465 30.300 0.086 0.000 1.243 352 R HN 0.348 nan 8.270 nan 0.000 0.464 353 V N 1.506 121.439 119.914 0.032 0.000 2.709 353 V HA 0.539 4.659 4.120 -0.000 0.000 0.308 353 V C -1.489 174.617 176.094 0.019 0.000 1.062 353 V CA -0.707 61.663 62.300 0.116 0.000 0.901 353 V CB 1.828 33.685 31.823 0.057 0.000 1.003 353 V HN 0.644 nan 8.190 nan 0.000 0.425 354 Y N 1.443 121.751 120.300 0.014 0.000 2.570 354 Y HA 0.568 5.118 4.550 -0.000 0.000 0.345 354 Y C 0.640 176.545 175.900 0.008 0.000 1.014 354 Y CA -0.883 57.223 58.100 0.011 0.000 1.063 354 Y CB 2.260 40.725 38.460 0.009 0.000 1.272 354 Y HN 0.676 nan 8.280 nan 0.000 0.477 355 D N -0.736 119.766 120.400 0.171 0.000 2.315 355 D HA 0.089 4.729 4.640 -0.000 0.000 0.272 355 D C 0.961 177.307 176.300 0.076 0.000 1.238 355 D CA 0.625 54.684 54.000 0.098 0.000 1.160 355 D CB 0.450 41.285 40.800 0.058 0.000 1.780 355 D HN 0.773 nan 8.370 nan 0.000 0.484 356 G N -0.086 108.753 108.800 0.066 0.000 2.624 356 G HA2 0.402 4.362 3.960 -0.000 0.000 0.217 356 G HA3 0.402 4.362 3.960 -0.000 0.000 0.217 356 G C -0.340 174.594 174.900 0.056 0.000 1.506 356 G CA 0.828 45.956 45.100 0.048 0.000 1.072 356 G HN 0.224 nan 8.290 nan 0.000 0.568 357 T N -0.706 113.872 114.554 0.040 0.000 3.305 357 T HA 0.387 4.737 4.350 -0.000 0.000 0.309 357 T C -0.338 174.378 174.700 0.027 0.000 0.889 357 T CA -0.594 61.528 62.100 0.038 0.000 1.386 357 T CB 0.767 69.651 68.868 0.026 0.000 0.929 357 T HN 0.782 nan 8.240 nan 0.000 0.538 358 E N 2.012 122.230 120.200 0.030 0.000 2.322 358 E HA 0.630 4.980 4.350 -0.000 0.000 0.257 358 E C -2.612 173.996 176.600 0.014 0.000 1.155 358 E CA -1.837 54.573 56.400 0.016 0.000 0.936 358 E CB 0.184 29.889 29.700 0.009 0.000 1.130 358 E HN 0.225 nan 8.360 nan 0.000 0.465 359 P HA 0.123 nan 4.420 nan 0.000 0.292 359 P C -1.078 176.223 177.300 0.001 0.000 1.283 359 P CA -0.750 62.352 63.100 0.004 0.000 0.835 359 P CB 1.359 33.059 31.700 0.000 0.000 1.017 360 V N 2.010 121.926 119.914 0.004 0.000 2.938 360 V HA -0.056 4.064 4.120 -0.000 0.000 0.284 360 V C -1.702 174.385 176.094 -0.011 0.000 1.027 360 V CA -0.904 61.396 62.300 0.000 0.000 1.208 360 V CB -1.643 30.179 31.823 -0.002 0.000 0.806 360 V HN 0.519 nan 8.190 nan 0.000 0.445 361 P HA 0.345 nan 4.420 nan 0.000 0.281 361 P C 1.167 178.436 177.300 -0.051 0.000 1.249 361 P CA 0.190 63.267 63.100 -0.039 0.000 0.810 361 P CB 1.738 33.407 31.700 -0.051 0.000 1.008 362 G N 1.845 110.609 108.800 -0.059 0.000 2.586 362 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.218 362 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.218 362 G C 0.475 175.322 174.900 -0.088 0.000 1.216 362 G CA 0.694 45.757 45.100 -0.062 0.000 0.786 362 G HN 0.682 nan 8.290 nan 0.000 0.583 363 D N 0.405 120.711 120.400 -0.156 0.000 2.255 363 D HA 0.214 4.854 4.640 -0.000 0.000 0.249 363 D C -1.318 174.866 176.300 -0.193 0.000 1.078 363 D CA -1.620 52.252 54.000 -0.212 0.000 0.896 363 D CB 2.551 43.087 40.800 -0.439 0.000 1.194 363 D HN 0.088 nan 8.370 nan 0.000 0.429 364 P HA 0.064 nan 4.420 nan 0.000 0.236 364 P C 0.761 178.042 177.300 -0.032 0.000 1.174 364 P CA 0.040 63.107 63.100 -0.055 0.000 0.840 364 P CB 0.843 32.536 31.700 -0.012 0.000 0.947 365 D N -0.123 120.264 120.400 -0.020 0.000 2.310 365 D HA -0.047 4.593 4.640 -0.000 0.000 0.212 365 D C 1.151 177.548 176.300 0.162 0.000 0.965 365 D CA 0.101 54.178 54.000 0.129 0.000 0.879 365 D CB -0.539 40.442 40.800 0.302 0.000 0.921 365 D HN 0.086 nan 8.370 nan 0.000 0.510 366 M N 1.256 120.696 119.600 -0.267 0.000 2.186 366 M HA -0.157 4.323 4.480 -0.000 0.000 0.408 366 M C -0.620 175.742 176.300 0.104 0.000 1.260 366 M CA 0.958 56.018 55.300 -0.401 0.000 0.784 366 M CB 0.314 32.714 32.600 -0.334 0.000 1.899 366 M HN -0.115 nan 8.290 nan 0.000 0.513 367 T N 6.405 121.184 114.554 0.375 0.000 2.952 367 T HA 0.861 5.211 4.350 -0.000 0.000 0.286 367 T C -0.427 174.395 174.700 0.204 0.000 1.024 367 T CA -0.955 61.308 62.100 0.271 0.000 1.029 367 T CB 1.976 70.996 68.868 0.252 0.000 1.094 367 T HN 0.831 nan 8.240 nan 0.000 0.515 368 R N 0.730 121.338 120.500 0.181 0.000 2.753 368 R HA 0.458 4.798 4.340 -0.000 0.000 0.272 368 R C -2.093 174.400 176.300 0.322 0.000 1.034 368 R CA -0.738 55.508 56.100 0.243 0.000 0.869 368 R CB 1.124 31.469 30.300 0.075 0.000 1.264 368 R HN 0.817 nan 8.270 nan 0.000 0.481 369 Y N -1.364 118.919 120.300 -0.028 0.000 2.965 369 Y HA 0.618 5.168 4.550 -0.000 0.000 0.341 369 Y C -2.177 173.704 175.900 -0.033 0.000 1.443 369 Y CA -0.972 57.108 58.100 -0.034 0.000 1.101 369 Y CB 0.261 38.703 38.460 -0.030 0.000 1.969 369 Y HN 0.220 nan 8.280 nan 0.000 0.419 370 V N 2.433 122.094 119.914 -0.422 0.000 2.495 370 V HA 0.411 4.531 4.120 -0.000 0.000 0.298 370 V C -0.644 175.226 176.094 -0.373 0.000 1.031 370 V CA -0.350 61.688 62.300 -0.437 0.000 0.871 370 V CB 1.147 32.874 31.823 -0.159 0.000 0.988 370 V HN 0.870 nan 8.190 nan 0.000 0.432 371 D N 3.385 123.523 120.400 -0.436 0.000 2.451 371 D HA 0.241 4.881 4.640 -0.000 0.000 0.259 371 D C 1.210 177.329 176.300 -0.301 0.000 1.201 371 D CA -0.684 53.165 54.000 -0.251 0.000 1.028 371 D CB 0.680 41.315 40.800 -0.274 0.000 1.095 371 D HN 0.287 nan 8.370 nan 0.000 0.539 372 R N -1.377 118.837 120.500 -0.476 0.000 2.257 372 R HA -0.228 4.112 4.340 -0.000 0.000 0.265 372 R C 0.291 176.304 176.300 -0.478 0.000 1.191 372 R CA 2.142 57.845 56.100 -0.661 0.000 1.010 372 R CB -0.312 29.195 30.300 -1.322 0.000 0.883 372 R HN 0.673 nan 8.270 nan 0.000 0.473 373 F N -4.729 115.205 119.950 -0.027 0.000 3.087 373 F HA 0.427 4.954 4.527 -0.000 0.000 0.371 373 F C 0.532 176.301 175.800 -0.053 0.000 1.144 373 F CA -0.177 57.804 58.000 -0.032 0.000 1.030 373 F CB 0.243 39.231 39.000 -0.021 0.000 1.366 373 F HN -0.022 nan 8.300 nan 0.000 0.522 374 G N 0.439 109.245 108.800 0.009 0.000 2.815 374 G HA2 0.558 4.518 3.960 -0.000 0.000 0.305 374 G HA3 0.558 4.518 3.960 -0.000 0.000 0.305 374 G C -1.869 172.944 174.900 -0.144 0.000 1.277 374 G CA -0.936 44.148 45.100 -0.027 0.000 0.795 374 G HN -0.037 nan 8.290 nan 0.000 0.528 375 K N -0.426 119.892 120.400 -0.137 0.000 2.182 375 K HA 0.717 5.037 4.320 -0.000 0.000 0.262 375 K C -1.128 175.339 176.600 -0.223 0.000 0.957 375 K CA -0.249 55.917 56.287 -0.200 0.000 0.842 375 K CB 1.756 34.185 32.500 -0.117 0.000 1.099 375 K HN 0.465 nan 8.250 nan 0.000 0.438 376 T N 3.183 117.542 114.554 -0.325 0.000 2.952 376 T HA 0.324 4.674 4.350 -0.000 0.000 0.305 376 T C -1.404 173.304 174.700 0.013 0.000 1.064 376 T CA -0.958 61.035 62.100 -0.180 0.000 1.008 376 T CB 1.231 69.964 68.868 -0.225 0.000 1.078 376 T HN 0.423 nan 8.240 nan 0.000 0.459 377 K N 2.352 122.785 120.400 0.056 0.000 2.248 377 K HA 0.437 4.757 4.320 -0.000 0.000 0.281 377 K C 0.065 176.772 176.600 0.178 0.000 1.054 377 K CA -0.622 55.726 56.287 0.101 0.000 0.903 377 K CB 0.640 33.164 32.500 0.041 0.000 1.077 377 K HN 0.474 nan 8.250 nan 0.000 0.474 378 T N 2.005 116.715 114.554 0.259 0.000 2.928 378 T HA 0.001 4.351 4.350 -0.000 0.000 0.305 378 T C 0.642 175.507 174.700 0.276 0.000 1.035 378 T CA -0.507 61.742 62.100 0.250 0.000 1.145 378 T CB 0.515 69.522 68.868 0.232 0.000 0.963 378 T HN 0.197 nan 8.240 nan 0.000 0.545 379 V N 3.961 123.984 119.914 0.183 0.000 2.673 379 V HA 0.037 4.157 4.120 -0.000 0.000 0.303 379 V C 0.565 176.811 176.094 0.254 0.000 1.046 379 V CA -0.254 62.152 62.300 0.178 0.000 1.126 379 V CB -0.265 31.615 31.823 0.094 0.000 0.934 379 V HN 0.634 nan 8.190 nan 0.000 0.487 380 F N 6.785 126.739 119.950 0.006 0.000 2.557 380 F HA 0.278 4.805 4.527 -0.000 0.000 0.384 380 F C -0.941 174.857 175.800 -0.004 0.000 1.057 380 F CA -1.657 56.343 58.000 0.001 0.000 1.169 380 F CB -0.634 38.367 39.000 0.003 0.000 1.070 380 F HN 0.542 nan 8.300 nan 0.000 0.554 381 P HA -0.165 nan 4.420 nan 0.000 0.014 381 P C -0.170 177.040 177.300 -0.151 0.000 0.563 381 P CA 1.248 64.149 63.100 -0.332 0.000 1.035 381 P CB -0.866 30.620 31.700 -0.357 0.000 1.909 382 G N 0.000 108.734 108.800 -0.111 0.000 5.446 382 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 382 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 382 G CA 0.000 45.065 45.100 -0.059 0.000 0.502 382 G HN 0.000 nan 8.290 nan 0.000 0.925