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 2i0h_1_A DATA FIRST_RESID 4 DATA SEQUENCE ERPTFYRQEL NKTIWEVPER YQNLSPVGSG AYGSVCAAFD TKTGLRVAVK DATA SEQUENCE KLSRPFQSII HAKRTYRELR LLKHMKHENV IGLLDVFTPA RSLEEFNDVY DATA SEQUENCE LVTHLMGADL NNIVKCQKLT DDHVQFLIYQ ILRGLKYIHS ADIIHRDLKP DATA SEQUENCE SNLAVNEDSE LKILDFGLAR HTDDEMTGYV ATRWYRAPEI MLNWMHYNQT DATA SEQUENCE VDIWSVGCIM AELLTGRTLF PGTDHIDQLK LILRLVGTPG AELLKKISSE DATA SEQUENCE SARNYIQSLT QMPKMNFANV FIGANPLAVD LLEKMLVLDS DKRITAAQAL DATA SEQUENCE AHAYFAQYHD PDDEPVADPY DQSFESRDLL IDEWKSLTYD EVISFVPPP 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 4 E HA 0.000 nan 4.350 nan 0.000 0.291 4 E C 0.000 176.631 176.600 0.051 0.000 1.382 4 E CA 0.000 56.420 56.400 0.034 0.000 0.976 4 E CB 0.000 29.714 29.700 0.023 0.000 0.812 5 R N 2.734 123.280 120.500 0.077 0.000 2.401 5 R HA 0.243 4.589 4.340 0.010 0.000 0.299 5 R C -1.572 174.794 176.300 0.110 0.000 1.064 5 R CA -0.733 55.444 56.100 0.129 0.000 1.000 5 R CB 0.492 30.890 30.300 0.163 0.000 0.973 5 R HN 0.105 nan 8.270 nan 0.000 0.438 6 P HA 0.071 nan 4.420 nan 0.000 0.274 6 P C -0.742 176.581 177.300 0.037 0.000 1.260 6 P CA -0.317 62.751 63.100 -0.053 0.000 0.793 6 P CB 0.508 32.053 31.700 -0.259 0.000 1.048 7 T N 0.665 115.211 114.554 -0.013 0.000 2.845 7 T HA 0.437 4.793 4.350 0.010 0.000 0.288 7 T C -0.229 174.508 174.700 0.062 0.000 0.980 7 T CA 0.184 62.349 62.100 0.108 0.000 1.071 7 T CB -0.087 68.819 68.868 0.063 0.000 0.941 7 T HN 0.115 nan 8.240 nan 0.000 0.487 8 F N 2.425 122.390 119.950 0.025 0.000 2.507 8 F HA 0.607 5.139 4.527 0.010 0.000 0.327 8 F C -0.076 175.802 175.800 0.130 0.000 1.068 8 F CA -1.168 56.844 58.000 0.020 0.000 0.965 8 F CB 1.207 40.182 39.000 -0.043 0.000 1.192 8 F HN 0.570 nan 8.300 nan 0.000 0.476 9 Y N -0.720 119.676 120.300 0.160 0.000 2.576 9 Y HA 0.871 5.426 4.550 0.009 0.000 0.346 9 Y C -1.146 174.845 175.900 0.151 0.000 1.018 9 Y CA -1.865 56.309 58.100 0.123 0.000 1.050 9 Y CB 1.288 39.789 38.460 0.069 0.000 1.280 9 Y HN 0.539 nan 8.280 nan 0.000 0.474 10 R N 1.765 122.372 120.500 0.178 0.000 2.778 10 R HA 0.622 4.968 4.340 0.010 0.000 0.277 10 R C -1.317 175.081 176.300 0.163 0.000 0.977 10 R CA -1.048 55.113 56.100 0.102 0.000 0.950 10 R CB 2.134 32.509 30.300 0.125 0.000 1.165 10 R HN 0.898 nan 8.270 nan 0.000 0.474 11 Q N 0.257 120.149 119.800 0.153 0.000 2.479 11 Q HA 0.263 4.609 4.340 0.010 0.000 0.276 11 Q C -1.678 174.447 176.000 0.208 0.000 0.989 11 Q CA -0.976 54.933 55.803 0.177 0.000 0.864 11 Q CB 2.058 30.906 28.738 0.184 0.000 1.444 11 Q HN 0.612 nan 8.270 nan 0.000 0.388 12 E N 3.008 123.312 120.200 0.174 0.000 2.156 12 E HA 0.519 4.875 4.350 0.010 0.000 0.279 12 E C -1.366 175.339 176.600 0.175 0.000 0.965 12 E CA -0.639 55.876 56.400 0.191 0.000 0.789 12 E CB 1.054 30.832 29.700 0.130 0.000 1.098 12 E HN 0.582 nan 8.360 nan 0.000 0.397 13 L N 4.665 126.036 121.223 0.248 0.000 2.372 13 L HA 0.386 4.732 4.340 0.010 0.000 0.274 13 L C -0.564 176.412 176.870 0.177 0.000 0.988 13 L CA -1.132 53.797 54.840 0.150 0.000 0.833 13 L CB 1.498 43.559 42.059 0.003 0.000 1.236 13 L HN 0.660 nan 8.230 nan 0.000 0.410 14 N N 2.732 121.497 118.700 0.108 0.000 2.667 14 N HA -0.277 4.468 4.740 0.010 0.000 0.263 14 N C 0.800 176.372 175.510 0.103 0.000 1.038 14 N CA 1.476 54.583 53.050 0.094 0.000 0.749 14 N CB -0.688 37.855 38.487 0.092 0.000 0.892 14 N HN 0.887 nan 8.380 nan 0.000 0.546 15 K N -3.379 117.076 120.400 0.091 0.000 3.193 15 K HA -0.264 4.062 4.320 0.010 0.000 0.294 15 K C 0.532 177.180 176.600 0.081 0.000 1.185 15 K CA 2.271 58.602 56.287 0.073 0.000 0.866 15 K CB -2.588 29.940 32.500 0.047 0.000 1.227 15 K HN 1.478 nan 8.250 nan 0.000 0.467 16 T N -2.452 112.186 114.554 0.140 0.000 2.861 16 T HA 0.756 5.111 4.350 0.010 0.000 0.287 16 T C -0.079 174.730 174.700 0.183 0.000 1.003 16 T CA -0.607 61.561 62.100 0.113 0.000 0.977 16 T CB 1.486 70.429 68.868 0.125 0.000 0.996 16 T HN 0.533 nan 8.240 nan 0.000 0.448 17 I N 2.983 123.592 120.570 0.065 0.000 2.371 17 I HA 0.333 4.509 4.170 0.010 0.000 0.290 17 I C -0.733 175.433 176.117 0.083 0.000 1.028 17 I CA -0.569 60.806 61.300 0.124 0.000 1.345 17 I CB 0.704 38.749 38.000 0.075 0.000 1.407 17 I HN 0.620 nan 8.210 nan 0.000 0.501 18 W N 5.342 126.715 121.300 0.121 0.000 2.417 18 W HA 0.410 5.076 4.660 0.009 0.000 0.315 18 W C 0.024 176.582 176.519 0.065 0.000 1.045 18 W CA -0.541 56.918 57.345 0.190 0.000 1.221 18 W CB 1.092 30.633 29.460 0.135 0.000 1.309 18 W HN 0.371 nan 8.180 nan 0.000 0.453 19 E N 3.544 123.886 120.200 0.236 0.000 2.141 19 E HA 0.501 4.857 4.350 0.010 0.000 0.259 19 E C -1.075 175.550 176.600 0.042 0.000 0.883 19 E CA -0.551 55.911 56.400 0.104 0.000 0.744 19 E CB 0.920 30.699 29.700 0.133 0.000 1.150 19 E HN 0.353 nan 8.360 nan 0.000 0.420 20 V N 1.262 121.102 119.914 -0.122 0.000 3.102 20 V HA 0.737 4.863 4.120 0.010 0.000 0.312 20 V C -2.800 172.941 176.094 -0.588 0.000 1.135 20 V CA -2.908 59.170 62.300 -0.370 0.000 1.022 20 V CB 1.737 33.426 31.823 -0.223 0.000 1.056 20 V HN 0.500 nan 8.190 nan 0.000 0.436 21 P HA 0.202 nan 4.420 nan 0.000 0.268 21 P C 0.568 177.724 177.300 -0.239 0.000 1.205 21 P CA 0.243 62.825 63.100 -0.865 0.000 0.771 21 P CB 0.401 31.566 31.700 -0.891 0.000 0.858 22 E N 2.971 123.110 120.200 -0.103 0.000 2.171 22 E HA -0.296 4.060 4.350 0.010 0.000 0.197 22 E C 1.825 178.367 176.600 -0.097 0.000 0.997 22 E CA 1.102 57.515 56.400 0.023 0.000 0.810 22 E CB -0.237 29.415 29.700 -0.079 0.000 0.738 22 E HN 0.523 nan 8.360 nan 0.000 0.467 23 R N 0.637 120.957 120.500 -0.301 0.000 2.170 23 R HA -0.152 4.194 4.340 0.010 0.000 0.242 23 R C 0.187 176.212 176.300 -0.459 0.000 1.145 23 R CA 0.997 56.836 56.100 -0.436 0.000 0.984 23 R CB -0.597 29.312 30.300 -0.650 0.000 0.869 23 R HN 0.103 nan 8.270 nan 0.000 0.455 24 Y N 2.146 122.423 120.300 -0.038 0.000 2.404 24 Y HA 0.286 4.841 4.550 0.009 0.000 0.344 24 Y C 0.446 176.432 175.900 0.143 0.000 0.995 24 Y CA -0.488 57.619 58.100 0.012 0.000 1.201 24 Y CB 0.819 39.271 38.460 -0.013 0.000 1.151 24 Y HN 0.038 nan 8.280 nan 0.000 0.517 25 Q N 0.947 120.901 119.800 0.257 0.000 2.552 25 Q HA 0.343 4.689 4.340 0.010 0.000 0.289 25 Q C -0.084 176.049 176.000 0.222 0.000 1.097 25 Q CA -1.127 54.821 55.803 0.241 0.000 0.812 25 Q CB 1.581 30.424 28.738 0.175 0.000 1.460 25 Q HN 0.782 nan 8.270 nan 0.000 0.452 26 N N -0.431 118.365 118.700 0.160 0.000 2.725 26 N HA -0.222 4.524 4.740 0.010 0.000 0.249 26 N C -0.813 174.737 175.510 0.066 0.000 1.103 26 N CA -0.138 52.974 53.050 0.105 0.000 0.707 26 N CB -1.177 37.379 38.487 0.115 0.000 1.043 26 N HN 0.239 nan 8.380 nan 0.000 0.553 27 L N 1.096 122.347 121.223 0.047 0.000 2.525 27 L HA 0.154 4.500 4.340 0.010 0.000 0.278 27 L C 0.734 177.533 176.870 -0.118 0.000 1.218 27 L CA 0.931 55.721 54.840 -0.084 0.000 0.878 27 L CB 0.792 42.739 42.059 -0.186 0.000 1.127 27 L HN 0.305 nan 8.230 nan 0.000 0.492 28 S N 2.978 118.583 115.700 -0.158 0.000 2.603 28 S HA 0.674 5.150 4.470 0.010 0.000 0.274 28 S C -2.917 171.594 174.600 -0.149 0.000 1.168 28 S CA -1.554 56.572 58.200 -0.122 0.000 0.963 28 S CB 2.007 65.175 63.200 -0.053 0.000 1.078 28 S HN 0.228 nan 8.310 nan 0.000 0.477 29 P HA 0.294 nan 4.420 nan 0.000 0.267 29 P C -0.444 176.837 177.300 -0.032 0.000 1.200 29 P CA -0.327 62.724 63.100 -0.083 0.000 0.772 29 P CB 0.617 32.301 31.700 -0.025 0.000 0.855 30 V N -0.926 118.986 119.914 -0.004 0.000 2.925 30 V HA 0.835 4.961 4.120 0.010 0.000 0.311 30 V C 0.823 176.947 176.094 0.050 0.000 1.104 30 V CA -0.007 62.302 62.300 0.016 0.000 0.954 30 V CB 1.152 32.978 31.823 0.004 0.000 1.022 30 V HN 0.796 nan 8.190 nan 0.000 0.427 31 G N 3.107 111.942 108.800 0.059 0.000 2.184 31 G HA2 -0.208 3.757 3.960 0.010 0.000 0.264 31 G HA3 -0.208 3.757 3.960 0.010 0.000 0.264 31 G C 1.134 176.088 174.900 0.091 0.000 0.975 31 G CA 1.616 46.774 45.100 0.098 0.000 0.642 31 G HN 2.799 nan 8.290 nan 0.000 0.536 32 S N -2.943 112.797 115.700 0.066 0.000 3.011 32 S HA 0.110 4.586 4.470 0.010 0.000 0.278 32 S C 2.197 176.830 174.600 0.055 0.000 1.300 32 S CA 1.908 60.141 58.200 0.054 0.000 1.248 32 S CB -1.503 61.722 63.200 0.042 0.000 1.517 32 S HN 2.908 nan 8.310 nan 0.000 0.685 33 G N 0.126 108.969 108.800 0.072 0.000 2.201 33 G HA2 0.183 4.148 3.960 0.010 0.000 0.212 33 G HA3 0.183 4.148 3.960 0.010 0.000 0.212 33 G C 1.147 176.061 174.900 0.024 0.000 0.994 33 G CA 1.001 46.135 45.100 0.057 0.000 0.644 33 G HN 1.870 nan 8.290 nan 0.000 0.508 34 A N -0.553 122.274 122.820 0.011 0.000 2.024 34 A HA 0.236 4.562 4.320 0.010 0.000 0.220 34 A C 1.564 179.012 177.584 -0.226 0.000 1.164 34 A CA 2.027 53.999 52.037 -0.108 0.000 0.643 34 A CB -0.331 18.595 19.000 -0.123 0.000 0.806 34 A HN 0.852 nan 8.150 nan 0.000 0.451 35 Y N -0.776 119.518 120.300 -0.009 0.000 2.681 35 Y HA 0.436 4.992 4.550 0.010 0.000 0.267 35 Y C 1.286 177.170 175.900 -0.027 0.000 1.166 35 Y CA 0.179 58.266 58.100 -0.021 0.000 1.209 35 Y CB 0.190 38.640 38.460 -0.017 0.000 1.161 35 Y HN 0.551 nan 8.280 nan 0.000 0.534 36 G N -0.344 108.502 108.800 0.076 0.000 2.582 36 G HA2 -0.178 3.788 3.960 0.010 0.000 0.222 36 G HA3 -0.178 3.788 3.960 0.010 0.000 0.222 36 G C -0.676 174.266 174.900 0.070 0.000 1.311 36 G CA -0.760 44.361 45.100 0.034 0.000 0.915 36 G HN 0.013 nan 8.290 nan 0.000 0.528 37 S N 0.029 115.756 115.700 0.046 0.000 2.400 37 S HA 0.570 5.046 4.470 0.010 0.000 0.295 37 S C 0.158 174.949 174.600 0.318 0.000 1.113 37 S CA -0.252 58.046 58.200 0.164 0.000 1.064 37 S CB 0.952 64.147 63.200 -0.010 0.000 0.990 37 S HN 1.099 nan 8.310 nan 0.000 0.502 38 V N 3.083 123.197 119.914 0.334 0.000 2.789 38 V HA 0.682 4.807 4.120 0.010 0.000 0.311 38 V C 0.004 176.156 176.094 0.097 0.000 1.073 38 V CA -0.966 61.492 62.300 0.264 0.000 0.921 38 V CB 1.656 33.550 31.823 0.119 0.000 1.009 38 V HN 1.012 nan 8.190 nan 0.000 0.426 39 C N 1.856 121.107 119.300 -0.083 0.000 3.090 39 C HA 1.002 5.468 4.460 0.010 0.000 0.305 39 C C 0.082 174.977 174.990 -0.158 0.000 1.292 39 C CA -0.710 58.138 59.018 -0.285 0.000 1.482 39 C CB 1.039 28.308 27.740 -0.786 0.000 1.897 39 C HN 1.295 nan 8.230 nan 0.000 0.469 40 A N 1.244 123.994 122.820 -0.117 0.000 2.295 40 A HA 1.005 5.331 4.320 0.010 0.000 0.318 40 A C 0.074 177.639 177.584 -0.032 0.000 1.134 40 A CA 0.262 52.275 52.037 -0.040 0.000 0.827 40 A CB 0.840 19.835 19.000 -0.008 0.000 1.136 40 A HN 2.634 nan 8.150 nan 0.000 0.493 41 A N 0.266 123.110 122.820 0.040 0.000 2.581 41 A HA 0.699 5.025 4.320 0.010 0.000 0.290 41 A C -1.681 176.033 177.584 0.216 0.000 1.119 41 A CA -0.433 51.669 52.037 0.107 0.000 0.670 41 A CB 0.740 19.791 19.000 0.085 0.000 1.280 41 A HN 1.575 nan 8.150 nan 0.000 0.425 42 F N 1.289 121.301 119.950 0.103 0.000 2.449 42 F HA 0.547 5.080 4.527 0.010 0.000 0.342 42 F C -0.438 175.438 175.800 0.127 0.000 1.127 42 F CA -0.951 57.105 58.000 0.094 0.000 0.975 42 F CB 1.475 40.505 39.000 0.050 0.000 1.146 42 F HN 0.523 nan 8.300 nan 0.000 0.444 43 D N 4.094 124.147 120.400 -0.577 0.000 2.422 43 D HA 0.084 4.730 4.640 0.010 0.000 0.227 43 D C 1.319 177.108 176.300 -0.852 0.000 1.190 43 D CA 0.192 53.899 54.000 -0.488 0.000 0.905 43 D CB 1.000 41.675 40.800 -0.208 0.000 1.034 43 D HN 0.691 nan 8.370 nan 0.000 0.507 44 T N 1.021 115.207 114.554 -0.614 0.000 2.929 44 T HA -0.188 4.168 4.350 0.010 0.000 0.271 44 T C 1.669 176.216 174.700 -0.255 0.000 1.085 44 T CA 0.916 62.805 62.100 -0.352 0.000 1.125 44 T CB 0.010 68.832 68.868 -0.075 0.000 0.874 44 T HN 0.339 nan 8.240 nan 0.000 0.494 45 K N 1.234 121.457 120.400 -0.295 0.000 2.167 45 K HA -0.042 4.284 4.320 0.010 0.000 0.203 45 K C 2.185 178.693 176.600 -0.153 0.000 1.052 45 K CA 1.509 57.675 56.287 -0.201 0.000 0.956 45 K CB -0.025 32.343 32.500 -0.221 0.000 0.735 45 K HN 0.618 nan 8.250 nan 0.000 0.451 46 T N -4.703 109.737 114.554 -0.189 0.000 2.985 46 T HA 0.229 4.585 4.350 0.010 0.000 0.254 46 T C 1.193 175.836 174.700 -0.096 0.000 1.021 46 T CA 0.364 62.397 62.100 -0.113 0.000 0.957 46 T CB 0.795 69.612 68.868 -0.085 0.000 1.047 46 T HN 0.260 nan 8.240 nan 0.000 0.511 47 G N 1.525 110.205 108.800 -0.200 0.000 2.148 47 G HA2 -0.202 3.763 3.960 0.010 0.000 0.254 47 G HA3 -0.202 3.763 3.960 0.010 0.000 0.254 47 G C -0.132 174.772 174.900 0.007 0.000 0.981 47 G CA 0.266 45.341 45.100 -0.042 0.000 0.670 47 G HN 0.635 nan 8.290 nan 0.000 0.528 48 L N 0.617 121.752 121.223 -0.147 0.000 2.325 48 L HA 0.604 4.950 4.340 0.010 0.000 0.279 48 L C 0.836 177.717 176.870 0.018 0.000 1.054 48 L CA -1.257 53.587 54.840 0.008 0.000 0.804 48 L CB 1.012 43.081 42.059 0.017 0.000 1.200 48 L HN -0.043 nan 8.230 nan 0.000 0.436 49 R N 2.265 122.875 120.500 0.183 0.000 2.340 49 R HA 0.443 4.789 4.340 0.010 0.000 0.300 49 R C -0.537 175.839 176.300 0.127 0.000 1.069 49 R CA -0.280 55.949 56.100 0.215 0.000 0.984 49 R CB 1.249 31.674 30.300 0.210 0.000 1.003 49 R HN 0.507 nan 8.270 nan 0.000 0.459 50 V N -1.274 118.699 119.914 0.100 0.000 3.074 50 V HA 0.933 5.059 4.120 0.010 0.000 0.314 50 V C -0.473 175.641 176.094 0.033 0.000 1.117 50 V CA -1.284 61.048 62.300 0.053 0.000 1.014 50 V CB 2.174 34.017 31.823 0.033 0.000 1.057 50 V HN 0.753 nan 8.190 nan 0.000 0.438 51 A N 1.992 124.820 122.820 0.013 0.000 2.330 51 A HA 0.894 5.219 4.320 0.010 0.000 0.327 51 A C -0.763 176.816 177.584 -0.008 0.000 1.155 51 A CA -0.683 51.356 52.037 0.004 0.000 0.803 51 A CB 1.610 20.617 19.000 0.011 0.000 1.208 51 A HN 1.422 nan 8.150 nan 0.000 0.477 52 V N 2.730 122.654 119.914 0.017 0.000 2.531 52 V HA 0.442 4.568 4.120 0.010 0.000 0.301 52 V C -0.063 176.170 176.094 0.233 0.000 1.034 52 V CA -0.718 61.636 62.300 0.090 0.000 0.865 52 V CB 1.679 33.595 31.823 0.156 0.000 0.995 52 V HN 0.904 nan 8.190 nan 0.000 0.424 53 K N 4.269 124.741 120.400 0.121 0.000 2.235 53 K HA 0.491 4.817 4.320 0.010 0.000 0.266 53 K C -0.652 175.877 176.600 -0.118 0.000 0.980 53 K CA -0.705 55.625 56.287 0.072 0.000 0.849 53 K CB 1.473 33.952 32.500 -0.035 0.000 1.098 53 K HN 0.684 nan 8.250 nan 0.000 0.445 54 K N 6.179 126.385 120.400 -0.322 0.000 2.240 54 K HA 0.270 4.596 4.320 0.010 0.000 0.271 54 K C -0.942 175.296 176.600 -0.604 0.000 1.018 54 K CA -0.549 55.232 56.287 -0.843 0.000 0.874 54 K CB 0.695 32.295 32.500 -1.499 0.000 1.098 54 K HN 0.562 nan 8.250 nan 0.000 0.458 55 L N 3.533 124.414 121.223 -0.570 0.000 2.262 55 L HA 0.272 4.618 4.340 0.010 0.000 0.288 55 L C -0.277 176.309 176.870 -0.473 0.000 1.035 55 L CA -0.576 54.007 54.840 -0.428 0.000 0.820 55 L CB 1.636 43.475 42.059 -0.366 0.000 1.204 55 L HN 0.595 nan 8.230 nan 0.000 0.424 56 S N 2.845 118.304 115.700 -0.402 0.000 2.541 56 S HA 0.409 4.884 4.470 0.010 0.000 0.283 56 S C 0.107 174.518 174.600 -0.315 0.000 1.196 56 S CA -0.740 57.246 58.200 -0.357 0.000 1.062 56 S CB 1.218 64.237 63.200 -0.302 0.000 1.009 56 S HN 0.611 nan 8.310 nan 0.000 0.502 57 R N 0.410 120.733 120.500 -0.296 0.000 3.158 57 R HA -0.136 4.209 4.340 0.010 0.000 0.244 57 R C -2.369 173.714 176.300 -0.361 0.000 0.900 57 R CA 0.111 56.052 56.100 -0.266 0.000 0.618 57 R CB -1.643 28.537 30.300 -0.199 0.000 1.061 57 R HN 0.469 nan 8.270 nan 0.000 0.471 58 P HA -0.047 nan 4.420 nan 0.000 0.245 58 P C 0.073 176.876 177.300 -0.828 0.000 1.212 58 P CA 0.878 63.513 63.100 -0.775 0.000 0.774 58 P CB 0.233 31.264 31.700 -1.115 0.000 0.999 59 F N -0.485 119.398 119.950 -0.112 0.000 2.850 59 F HA 0.234 4.767 4.527 0.009 0.000 0.329 59 F C 1.718 177.481 175.800 -0.062 0.000 1.182 59 F CA -0.638 57.326 58.000 -0.059 0.000 1.270 59 F CB -0.678 38.274 39.000 -0.080 0.000 0.979 59 F HN -0.083 nan 8.300 nan 0.000 0.506 60 Q N 0.246 120.029 119.800 -0.027 0.000 2.369 60 Q HA 0.054 4.400 4.340 0.010 0.000 0.206 60 Q C 0.514 176.492 176.000 -0.037 0.000 0.963 60 Q CA 0.916 56.668 55.803 -0.085 0.000 0.894 60 Q CB 0.079 28.672 28.738 -0.243 0.000 0.965 60 Q HN 0.338 nan 8.270 nan 0.000 0.475 61 S N -1.928 113.800 115.700 0.048 0.000 2.611 61 S HA 0.341 4.817 4.470 0.010 0.000 0.268 61 S C 0.387 175.088 174.600 0.167 0.000 1.156 61 S CA -0.903 57.359 58.200 0.103 0.000 0.817 61 S CB 0.236 63.505 63.200 0.115 0.000 1.122 61 S HN 0.112 nan 8.310 nan 0.000 0.466 62 I N 1.042 121.709 120.570 0.162 0.000 2.163 62 I HA -0.174 4.002 4.170 0.010 0.000 0.243 62 I C 1.937 178.108 176.117 0.090 0.000 1.085 62 I CA 1.286 62.707 61.300 0.201 0.000 1.347 62 I CB -0.360 37.765 38.000 0.208 0.000 1.044 62 I HN 0.611 nan 8.210 nan 0.000 0.408 63 I N 0.375 120.987 120.570 0.069 0.000 2.163 63 I HA -0.305 3.871 4.170 0.010 0.000 0.243 63 I C 2.543 178.587 176.117 -0.121 0.000 1.085 63 I CA 2.018 63.294 61.300 -0.039 0.000 1.347 63 I CB -1.735 36.241 38.000 -0.041 0.000 1.044 63 I HN 0.297 nan 8.210 nan 0.000 0.408 64 H N 0.669 119.696 119.070 -0.071 0.000 2.363 64 H HA 0.057 4.619 4.556 0.010 0.000 0.301 64 H C 2.275 177.539 175.328 -0.107 0.000 1.074 64 H CA 1.520 57.506 56.048 -0.104 0.000 1.354 64 H CB -0.245 29.453 29.762 -0.106 0.000 1.397 64 H HN 0.315 nan 8.280 nan 0.000 0.516 65 A N 0.969 123.859 122.820 0.117 0.000 1.908 65 A HA -0.242 4.084 4.320 0.010 0.000 0.218 65 A C 2.171 179.741 177.584 -0.023 0.000 1.181 65 A CA 1.940 54.118 52.037 0.236 0.000 0.627 65 A CB -0.463 18.793 19.000 0.426 0.000 0.818 65 A HN 0.380 nan 8.150 nan 0.000 0.445 66 K N -0.618 119.519 120.400 -0.439 0.000 2.097 66 K HA -0.104 4.222 4.320 0.010 0.000 0.205 66 K C 2.287 178.672 176.600 -0.358 0.000 1.050 66 K CA 1.140 56.888 56.287 -0.897 0.000 0.938 66 K CB -0.142 31.679 32.500 -1.132 0.000 0.718 66 K HN 0.439 nan 8.250 nan 0.000 0.442 67 R N -0.337 120.020 120.500 -0.238 0.000 2.096 67 R HA -0.074 4.272 4.340 0.010 0.000 0.235 67 R C 2.255 178.478 176.300 -0.129 0.000 1.127 67 R CA 1.800 57.798 56.100 -0.171 0.000 0.968 67 R CB -0.339 29.828 30.300 -0.222 0.000 0.861 67 R HN 0.213 nan 8.270 nan 0.000 0.440 68 T N 0.306 114.795 114.554 -0.109 0.000 2.746 68 T HA -0.200 4.156 4.350 0.010 0.000 0.267 68 T C 1.419 176.132 174.700 0.021 0.000 1.039 68 T CA 1.382 63.429 62.100 -0.088 0.000 1.142 68 T CB -0.394 68.364 68.868 -0.184 0.000 0.866 68 T HN 0.286 nan 8.240 nan 0.000 0.444 69 Y N 2.375 122.643 120.300 -0.054 0.000 2.145 69 Y HA -0.121 4.435 4.550 0.010 0.000 0.286 69 Y C 2.669 178.455 175.900 -0.189 0.000 1.145 69 Y CA 1.536 59.595 58.100 -0.069 0.000 1.148 69 Y CB -0.375 38.035 38.460 -0.082 0.000 0.981 69 Y HN -0.008 nan 8.280 nan 0.000 0.507 70 R N 0.528 120.875 120.500 -0.256 0.000 2.094 70 R HA -0.271 4.075 4.340 0.010 0.000 0.239 70 R C 2.353 178.594 176.300 -0.098 0.000 1.137 70 R CA 2.232 58.248 56.100 -0.140 0.000 0.943 70 R CB -0.573 29.806 30.300 0.133 0.000 0.850 70 R HN 0.595 nan 8.270 nan 0.000 0.433 71 E N 0.056 120.191 120.200 -0.108 0.000 2.077 71 E HA -0.211 4.145 4.350 0.010 0.000 0.193 71 E C 2.049 178.592 176.600 -0.095 0.000 0.989 71 E CA 1.169 57.498 56.400 -0.118 0.000 0.800 71 E CB -0.122 29.491 29.700 -0.144 0.000 0.746 71 E HN 0.326 nan 8.360 nan 0.000 0.452 72 L N 1.204 122.367 121.223 -0.100 0.000 2.017 72 L HA -0.142 4.204 4.340 0.010 0.000 0.208 72 L C 2.290 179.134 176.870 -0.043 0.000 1.073 72 L CA 1.659 56.465 54.840 -0.056 0.000 0.745 72 L CB -0.432 41.624 42.059 -0.006 0.000 0.894 72 L HN 0.035 nan 8.230 nan 0.000 0.432 73 R N -0.353 120.042 120.500 -0.176 0.000 2.083 73 R HA -0.112 4.234 4.340 0.010 0.000 0.237 73 R C 2.309 178.736 176.300 0.211 0.000 1.137 73 R CA 1.783 57.848 56.100 -0.059 0.000 0.951 73 R CB -1.058 29.053 30.300 -0.315 0.000 0.851 73 R HN 0.425 nan 8.270 nan 0.000 0.434 74 L N 0.453 121.762 121.223 0.143 0.000 1.994 74 L HA -0.170 4.176 4.340 0.010 0.000 0.208 74 L C 2.536 179.577 176.870 0.285 0.000 1.071 74 L CA 1.189 56.106 54.840 0.128 0.000 0.745 74 L CB -0.513 41.596 42.059 0.083 0.000 0.892 74 L HN 0.120 nan 8.230 nan 0.000 0.431 75 L N -0.469 120.871 121.223 0.195 0.000 2.083 75 L HA -0.231 4.115 4.340 0.010 0.000 0.209 75 L C 2.567 179.581 176.870 0.240 0.000 1.083 75 L CA 1.344 56.319 54.840 0.224 0.000 0.752 75 L CB -0.454 41.649 42.059 0.072 0.000 0.899 75 L HN 0.234 nan 8.230 nan 0.000 0.433 76 K N -1.176 119.361 120.400 0.228 0.000 2.217 76 K HA -0.193 4.133 4.320 0.010 0.000 0.202 76 K C 2.000 178.761 176.600 0.269 0.000 1.051 76 K CA 0.978 57.429 56.287 0.273 0.000 0.952 76 K CB -0.112 32.548 32.500 0.266 0.000 0.736 76 K HN 0.291 nan 8.250 nan 0.000 0.453 77 H N 0.098 119.293 119.070 0.209 0.000 2.395 77 H HA 0.071 4.633 4.556 0.010 0.000 0.299 77 H C 0.189 175.634 175.328 0.195 0.000 1.070 77 H CA 0.738 56.908 56.048 0.203 0.000 1.356 77 H CB 0.299 30.196 29.762 0.225 0.000 1.401 77 H HN -0.095 nan 8.280 nan 0.000 0.524 78 M N 1.994 121.736 119.600 0.237 0.000 2.220 78 M HA 0.133 4.619 4.480 0.010 0.000 0.343 78 M C -0.661 175.715 176.300 0.126 0.000 1.470 78 M CA 0.692 56.115 55.300 0.205 0.000 1.161 78 M CB 0.481 33.129 32.600 0.080 0.000 1.737 78 M HN 0.187 nan 8.290 nan 0.000 0.464 79 K N 3.428 123.871 120.400 0.071 0.000 2.687 79 K HA 0.357 4.683 4.320 0.010 0.000 0.197 79 K C -0.890 175.549 176.600 -0.268 0.000 1.049 79 K CA -0.399 55.871 56.287 -0.028 0.000 1.030 79 K CB 1.360 33.877 32.500 0.028 0.000 1.261 79 K HN 0.585 nan 8.250 nan 0.000 0.565 80 H N 1.117 119.915 119.070 -0.455 0.000 3.085 80 H HA 0.106 4.667 4.556 0.009 0.000 0.356 80 H C -0.004 175.135 175.328 -0.315 0.000 1.178 80 H CA -0.326 55.364 56.048 -0.595 0.000 1.214 80 H CB 1.580 30.587 29.762 -1.259 0.000 1.881 80 H HN 0.434 nan 8.280 nan 0.000 0.538 81 E N 2.151 122.104 120.200 -0.411 0.000 2.219 81 E HA -0.175 4.180 4.350 0.010 0.000 0.198 81 E C 0.277 176.845 176.600 -0.052 0.000 0.998 81 E CA 1.482 57.756 56.400 -0.211 0.000 0.818 81 E CB 0.154 29.700 29.700 -0.257 0.000 0.741 81 E HN 0.513 nan 8.360 nan 0.000 0.477 82 N N -0.293 118.513 118.700 0.177 0.000 2.251 82 N HA 0.086 4.831 4.740 0.010 0.000 0.217 82 N C -1.259 174.242 175.510 -0.015 0.000 1.124 82 N CA -0.210 52.867 53.050 0.045 0.000 0.843 82 N CB 1.287 39.776 38.487 0.003 0.000 1.024 82 N HN -0.159 nan 8.380 nan 0.000 0.501 83 V N 1.224 121.142 119.914 0.007 0.000 2.638 83 V HA 0.299 4.425 4.120 0.010 0.000 0.306 83 V C -0.243 175.915 176.094 0.107 0.000 1.052 83 V CA -1.072 61.223 62.300 -0.009 0.000 0.885 83 V CB 2.118 33.827 31.823 -0.191 0.000 0.999 83 V HN 0.024 nan 8.190 nan 0.000 0.424 84 I N 4.051 124.767 120.570 0.244 0.000 2.683 84 I HA 0.519 4.695 4.170 0.010 0.000 0.286 84 I C 0.810 177.101 176.117 0.290 0.000 1.175 84 I CA 1.299 62.742 61.300 0.238 0.000 1.429 84 I CB 0.459 38.574 38.000 0.191 0.000 1.371 84 I HN 0.799 nan 8.210 nan 0.000 0.569 85 G N 6.619 115.549 108.800 0.216 0.000 2.949 85 G HA2 0.580 4.546 3.960 0.010 0.000 0.285 85 G HA3 0.580 4.546 3.960 0.010 0.000 0.285 85 G C -1.512 173.478 174.900 0.150 0.000 1.395 85 G CA -0.910 44.313 45.100 0.205 0.000 0.901 85 G HN 0.524 nan 8.290 nan 0.000 0.519 86 L N 1.082 122.399 121.223 0.157 0.000 2.272 86 L HA 0.355 4.701 4.340 0.010 0.000 0.289 86 L C 1.031 177.996 176.870 0.159 0.000 1.032 86 L CA -0.541 54.356 54.840 0.095 0.000 0.810 86 L CB 1.700 43.779 42.059 0.033 0.000 1.205 86 L HN 0.422 nan 8.230 nan 0.000 0.422 87 L N 1.685 122.934 121.223 0.043 0.000 2.209 87 L HA 0.156 4.502 4.340 0.010 0.000 0.207 87 L C 0.121 177.100 176.870 0.182 0.000 1.094 87 L CA 0.830 55.721 54.840 0.084 0.000 0.790 87 L CB 0.070 42.092 42.059 -0.062 0.000 0.932 87 L HN 0.655 nan 8.230 nan 0.000 0.447 88 D N -2.033 118.318 120.400 -0.082 0.000 2.683 88 D HA 0.397 5.042 4.640 0.010 0.000 0.246 88 D C -1.694 174.298 176.300 -0.513 0.000 1.238 88 D CA -0.202 53.642 54.000 -0.261 0.000 0.759 88 D CB 2.461 43.377 40.800 0.192 0.000 1.349 88 D HN -0.288 nan 8.370 nan 0.000 0.426 89 V N 2.817 122.377 119.914 -0.589 0.000 2.817 89 V HA 0.896 5.022 4.120 0.010 0.000 0.303 89 V C -1.786 174.264 176.094 -0.074 0.000 1.151 89 V CA -0.462 61.594 62.300 -0.406 0.000 0.929 89 V CB 1.221 32.780 31.823 -0.441 0.000 1.030 89 V HN 0.574 nan 8.190 nan 0.000 0.427 90 F N 2.480 122.476 119.950 0.077 0.000 2.713 90 F HA 0.912 5.445 4.527 0.009 0.000 0.311 90 F C -0.846 175.154 175.800 0.333 0.000 1.141 90 F CA -0.510 57.607 58.000 0.195 0.000 0.939 90 F CB 1.638 40.764 39.000 0.210 0.000 1.325 90 F HN 0.604 nan 8.300 nan 0.000 0.453 91 T N 1.311 116.258 114.554 0.655 0.000 2.933 91 T HA 0.500 4.856 4.350 0.010 0.000 0.305 91 T C -2.420 172.487 174.700 0.345 0.000 1.092 91 T CA -1.812 60.639 62.100 0.584 0.000 1.008 91 T CB 2.039 71.270 68.868 0.605 0.000 1.102 91 T HN 0.570 nan 8.240 nan 0.000 0.469 92 P HA 0.174 nan 4.420 nan 0.000 0.229 92 P C 0.447 177.576 177.300 -0.284 0.000 1.160 92 P CA 0.071 62.811 63.100 -0.600 0.000 0.777 92 P CB -0.128 31.358 31.700 -0.356 0.000 0.814 93 A N 0.930 123.772 122.820 0.037 0.000 2.498 93 A HA 0.080 4.406 4.320 0.010 0.000 0.239 93 A C 1.253 178.886 177.584 0.082 0.000 1.068 93 A CA -0.017 52.078 52.037 0.096 0.000 0.766 93 A CB -0.043 19.115 19.000 0.264 0.000 1.003 93 A HN 0.063 nan 8.150 nan 0.000 0.497 94 R N 0.456 120.986 120.500 0.049 0.000 2.312 94 R HA 0.136 4.482 4.340 0.010 0.000 0.205 94 R C 0.195 176.553 176.300 0.096 0.000 0.904 94 R CA 0.856 56.994 56.100 0.064 0.000 1.052 94 R CB 0.159 30.476 30.300 0.027 0.000 1.014 94 R HN 0.854 nan 8.270 nan 0.000 0.503 95 S N -1.467 114.266 115.700 0.055 0.000 2.625 95 S HA 0.153 4.629 4.470 0.010 0.000 0.271 95 S C 0.267 174.663 174.600 -0.340 0.000 1.161 95 S CA -0.926 57.257 58.200 -0.028 0.000 0.820 95 S CB 1.201 64.383 63.200 -0.031 0.000 1.137 95 S HN -0.012 nan 8.310 nan 0.000 0.470 96 L N 1.385 122.261 121.223 -0.578 0.000 2.083 96 L HA 0.066 4.412 4.340 0.010 0.000 0.209 96 L C 2.146 178.830 176.870 -0.310 0.000 1.083 96 L CA 2.206 56.556 54.840 -0.817 0.000 0.752 96 L CB -1.270 40.481 42.059 -0.512 0.000 0.899 96 L HN 0.880 nan 8.230 nan 0.000 0.433 97 E N 0.243 120.337 120.200 -0.177 0.000 2.058 97 E HA -0.274 4.082 4.350 0.010 0.000 0.194 97 E C 1.978 178.545 176.600 -0.056 0.000 0.997 97 E CA 1.763 58.106 56.400 -0.095 0.000 0.801 97 E CB -0.359 29.303 29.700 -0.065 0.000 0.746 97 E HN 0.827 nan 8.360 nan 0.000 0.450 98 E N 0.328 120.507 120.200 -0.034 0.000 2.435 98 E HA -0.088 4.268 4.350 0.010 0.000 0.195 98 E C 0.045 176.689 176.600 0.074 0.000 1.029 98 E CA -0.307 56.098 56.400 0.008 0.000 0.865 98 E CB -0.186 29.521 29.700 0.011 0.000 0.833 98 E HN 0.134 nan 8.360 nan 0.000 0.510 99 F N 2.756 122.628 119.950 -0.130 0.000 2.539 99 F HA 0.065 4.598 4.527 0.010 0.000 0.393 99 F C 0.157 175.996 175.800 0.064 0.000 1.032 99 F CA 0.037 58.002 58.000 -0.057 0.000 1.120 99 F CB 0.315 39.161 39.000 -0.256 0.000 1.014 99 F HN -0.007 nan 8.300 nan 0.000 0.546 100 N N 2.855 121.467 118.700 -0.147 0.000 2.162 100 N HA 0.100 4.846 4.740 0.010 0.000 0.232 100 N C -1.865 173.506 175.510 -0.233 0.000 1.361 100 N CA -0.118 52.822 53.050 -0.184 0.000 0.786 100 N CB 0.297 38.745 38.487 -0.066 0.000 1.290 100 N HN 0.485 nan 8.380 nan 0.000 0.505 101 D N -0.179 120.092 120.400 -0.215 0.000 2.859 101 D HA 0.406 5.052 4.640 0.010 0.000 0.223 101 D C -1.150 175.132 176.300 -0.030 0.000 1.218 101 D CA -0.245 53.649 54.000 -0.177 0.000 0.850 101 D CB 2.898 43.675 40.800 -0.038 0.000 1.656 101 D HN -0.221 nan 8.370 nan 0.000 0.484 102 V N 2.582 122.374 119.914 -0.203 0.000 2.577 102 V HA 0.397 4.523 4.120 0.010 0.000 0.303 102 V C -1.186 174.715 176.094 -0.322 0.000 1.042 102 V CA -0.708 61.554 62.300 -0.063 0.000 0.872 102 V CB 1.491 33.292 31.823 -0.037 0.000 0.998 102 V HN 0.404 nan 8.190 nan 0.000 0.423 103 Y N 4.612 124.653 120.300 -0.432 0.000 2.352 103 Y HA 0.698 5.253 4.550 0.009 0.000 0.339 103 Y C -0.083 175.444 175.900 -0.621 0.000 0.992 103 Y CA -0.812 56.899 58.100 -0.648 0.000 1.100 103 Y CB 1.770 39.497 38.460 -1.222 0.000 1.192 103 Y HN 0.425 nan 8.280 nan 0.000 0.458 104 L N 4.600 125.669 121.223 -0.257 0.000 2.325 104 L HA 0.632 4.978 4.340 0.010 0.000 0.281 104 L C -0.975 175.798 176.870 -0.161 0.000 1.004 104 L CA -0.968 53.742 54.840 -0.218 0.000 0.823 104 L CB 1.331 43.294 42.059 -0.160 0.000 1.236 104 L HN 0.316 nan 8.230 nan 0.000 0.415 105 V N 2.101 121.909 119.914 -0.176 0.000 2.435 105 V HA 0.649 4.775 4.120 0.010 0.000 0.290 105 V C 0.139 176.181 176.094 -0.088 0.000 1.030 105 V CA -0.245 61.979 62.300 -0.127 0.000 0.881 105 V CB 1.680 33.421 31.823 -0.136 0.000 0.983 105 V HN 0.838 nan 8.190 nan 0.000 0.445 106 T N 1.894 116.412 114.554 -0.061 0.000 2.778 106 T HA 0.413 4.769 4.350 0.010 0.000 0.293 106 T C -0.691 173.988 174.700 -0.036 0.000 1.144 106 T CA -0.596 61.478 62.100 -0.044 0.000 1.010 106 T CB 1.302 70.183 68.868 0.023 0.000 1.325 106 T HN 0.742 nan 8.240 nan 0.000 0.515 107 H N 1.323 120.415 119.070 0.036 0.000 2.897 107 H HA 0.220 4.781 4.556 0.009 0.000 0.347 107 H C -0.038 175.307 175.328 0.028 0.000 1.068 107 H CA -0.057 56.013 56.048 0.037 0.000 1.426 107 H CB 0.759 30.542 29.762 0.035 0.000 1.410 107 H HN 0.277 nan 8.280 nan 0.000 0.597 108 L N 3.634 124.953 121.223 0.160 0.000 2.281 108 L HA 0.018 4.364 4.340 0.010 0.000 0.285 108 L C 0.700 177.623 176.870 0.088 0.000 1.074 108 L CA -0.017 54.881 54.840 0.097 0.000 0.817 108 L CB 0.611 42.722 42.059 0.086 0.000 1.168 108 L HN 0.572 nan 8.230 nan 0.000 0.434 109 M N 2.979 122.611 119.600 0.053 0.000 2.691 109 M HA 0.338 4.824 4.480 0.010 0.000 0.261 109 M C 1.554 177.868 176.300 0.023 0.000 1.227 109 M CA 1.015 56.334 55.300 0.032 0.000 1.197 109 M CB -0.875 31.732 32.600 0.012 0.000 1.294 109 M HN 0.848 nan 8.290 nan 0.000 0.508 110 G N 0.715 109.522 108.800 0.012 0.000 2.213 110 G HA2 -0.080 3.886 3.960 0.010 0.000 0.236 110 G HA3 -0.080 3.886 3.960 0.010 0.000 0.236 110 G C 0.246 175.144 174.900 -0.003 0.000 0.991 110 G CA 0.477 45.582 45.100 0.008 0.000 0.629 110 G HN 0.917 nan 8.290 nan 0.000 0.517 111 A N -0.588 122.224 122.820 -0.012 0.000 2.601 111 A HA 0.722 5.048 4.320 0.010 0.000 0.291 111 A C -0.989 176.572 177.584 -0.037 0.000 1.075 111 A CA 0.349 52.375 52.037 -0.019 0.000 0.671 111 A CB 0.802 19.802 19.000 -0.000 0.000 1.277 111 A HN 1.235 nan 8.150 nan 0.000 0.417 112 D N -0.521 119.853 120.400 -0.045 0.000 2.350 112 D HA 0.523 5.169 4.640 0.010 0.000 0.238 112 D C 0.627 176.899 176.300 -0.046 0.000 0.989 112 D CA -0.743 53.220 54.000 -0.061 0.000 0.921 112 D CB 1.012 41.760 40.800 -0.087 0.000 1.297 112 D HN 0.250 nan 8.370 nan 0.000 0.490 113 L N 1.319 122.504 121.223 -0.063 0.000 2.042 113 L HA -0.134 4.212 4.340 0.010 0.000 0.210 113 L C 1.804 178.648 176.870 -0.044 0.000 1.076 113 L CA 1.768 56.571 54.840 -0.062 0.000 0.749 113 L CB -1.133 40.869 42.059 -0.094 0.000 0.893 113 L HN 0.746 nan 8.230 nan 0.000 0.432 114 N N -0.372 118.302 118.700 -0.044 0.000 2.069 114 N HA -0.282 4.464 4.740 0.010 0.000 0.191 114 N C 1.754 177.271 175.510 0.012 0.000 1.031 114 N CA 1.646 54.690 53.050 -0.011 0.000 0.852 114 N CB -0.130 38.356 38.487 -0.002 0.000 1.018 114 N HN 0.474 nan 8.380 nan 0.000 0.423 115 N N 0.038 118.743 118.700 0.009 0.000 2.289 115 N HA -0.079 4.667 4.740 0.010 0.000 0.184 115 N C 1.572 177.094 175.510 0.021 0.000 1.016 115 N CA 0.867 53.929 53.050 0.021 0.000 0.872 115 N CB 0.098 38.595 38.487 0.016 0.000 0.973 115 N HN 0.245 nan 8.380 nan 0.000 0.433 116 I N -0.345 120.233 120.570 0.012 0.000 2.556 116 I HA -0.017 4.159 4.170 0.010 0.000 0.251 116 I C 1.745 177.874 176.117 0.020 0.000 1.105 116 I CA 0.791 62.103 61.300 0.019 0.000 1.436 116 I CB -0.984 37.029 38.000 0.020 0.000 1.139 116 I HN 0.160 nan 8.210 nan 0.000 0.438 117 V N -0.394 119.523 119.914 0.005 0.000 3.483 117 V HA 0.179 4.304 4.120 0.010 0.000 0.301 117 V C 0.895 176.995 176.094 0.011 0.000 1.389 117 V CA -0.550 61.751 62.300 0.001 0.000 1.101 117 V CB -1.052 30.748 31.823 -0.039 0.000 0.971 117 V HN 0.382 nan 8.190 nan 0.000 0.434 118 K N -0.164 120.251 120.400 0.025 0.000 2.524 118 K HA 0.086 4.411 4.320 0.010 0.000 0.279 118 K C 0.586 177.211 176.600 0.041 0.000 0.993 118 K CA 0.466 56.780 56.287 0.045 0.000 1.030 118 K CB 0.005 32.544 32.500 0.064 0.000 0.891 118 K HN 0.339 nan 8.250 nan 0.000 0.488 119 C N 0.666 119.991 119.300 0.041 0.000 4.593 119 C HA -0.166 4.300 4.460 0.010 0.000 0.263 119 C C -0.195 174.809 174.990 0.023 0.000 1.378 119 C CA 0.930 59.967 59.018 0.032 0.000 1.666 119 C CB -2.824 24.939 27.740 0.038 0.000 1.603 119 C HN 0.929 nan 8.230 nan 0.000 0.704 120 Q N 0.008 119.820 119.800 0.020 0.000 2.337 120 Q HA 0.495 4.841 4.340 0.010 0.000 0.266 120 Q C -0.293 175.716 176.000 0.014 0.000 1.023 120 Q CA -0.396 55.419 55.803 0.020 0.000 0.829 120 Q CB 1.931 30.684 28.738 0.025 0.000 1.306 120 Q HN 0.444 nan 8.270 nan 0.000 0.449 121 K N 2.776 123.189 120.400 0.021 0.000 2.248 121 K HA 0.296 4.621 4.320 0.010 0.000 0.281 121 K C -1.113 175.507 176.600 0.035 0.000 1.054 121 K CA -0.425 55.876 56.287 0.023 0.000 0.903 121 K CB 0.486 33.002 32.500 0.027 0.000 1.077 121 K HN 0.368 nan 8.250 nan 0.000 0.474 122 L N 2.891 124.131 121.223 0.028 0.000 2.375 122 L HA 0.299 4.645 4.340 0.010 0.000 0.268 122 L C 0.622 177.550 176.870 0.097 0.000 1.058 122 L CA -0.255 54.619 54.840 0.055 0.000 0.803 122 L CB 1.358 43.388 42.059 -0.048 0.000 1.212 122 L HN 0.810 nan 8.230 nan 0.000 0.451 123 T N -3.090 111.557 114.554 0.154 0.000 2.898 123 T HA 0.061 4.417 4.350 0.010 0.000 0.301 123 T C 0.807 175.602 174.700 0.157 0.000 1.049 123 T CA -0.291 61.891 62.100 0.137 0.000 1.095 123 T CB 0.535 69.481 68.868 0.130 0.000 0.976 123 T HN 0.659 nan 8.240 nan 0.000 0.539 124 D N 0.544 121.024 120.400 0.133 0.000 2.123 124 D HA -0.181 4.465 4.640 0.010 0.000 0.196 124 D C 1.660 178.054 176.300 0.157 0.000 0.992 124 D CA 1.779 55.874 54.000 0.158 0.000 0.833 124 D CB -0.329 40.558 40.800 0.146 0.000 0.954 124 D HN 0.862 nan 8.370 nan 0.000 0.455 125 D N -1.693 118.789 120.400 0.136 0.000 2.178 125 D HA -0.198 4.447 4.640 0.010 0.000 0.201 125 D C 1.937 178.391 176.300 0.257 0.000 0.980 125 D CA 1.153 55.247 54.000 0.156 0.000 0.842 125 D CB -0.177 40.687 40.800 0.105 0.000 0.948 125 D HN 0.462 nan 8.370 nan 0.000 0.472 126 H N -1.104 118.047 119.070 0.136 0.000 2.357 126 H HA -0.054 4.508 4.556 0.009 0.000 0.301 126 H C 1.998 177.423 175.328 0.162 0.000 1.082 126 H CA 1.079 57.224 56.048 0.162 0.000 1.342 126 H CB 0.275 30.108 29.762 0.119 0.000 1.389 126 H HN 0.049 nan 8.280 nan 0.000 0.511 127 V N 1.001 121.059 119.914 0.239 0.000 2.343 127 V HA -0.280 3.846 4.120 0.010 0.000 0.247 127 V C 2.308 178.549 176.094 0.245 0.000 1.051 127 V CA 1.909 64.311 62.300 0.170 0.000 1.036 127 V CB -0.548 31.384 31.823 0.182 0.000 0.654 127 V HN 0.511 nan 8.190 nan 0.000 0.451 128 Q N -1.098 118.828 119.800 0.210 0.000 2.077 128 Q HA -0.260 4.086 4.340 0.010 0.000 0.206 128 Q C 2.184 178.299 176.000 0.191 0.000 0.989 128 Q CA 2.332 58.230 55.803 0.157 0.000 0.853 128 Q CB -0.334 28.412 28.738 0.013 0.000 0.907 128 Q HN 0.638 nan 8.270 nan 0.000 0.418 129 F N 0.922 120.763 119.950 -0.183 0.000 2.134 129 F HA -0.163 4.370 4.527 0.009 0.000 0.299 129 F C 1.716 177.431 175.800 -0.141 0.000 1.097 129 F CA 1.250 58.959 58.000 -0.484 0.000 1.264 129 F CB -0.287 38.552 39.000 -0.269 0.000 1.001 129 F HN -0.020 nan 8.300 nan 0.000 0.479 130 L N -0.438 120.734 121.223 -0.086 0.000 2.027 130 L HA -0.231 4.115 4.340 0.010 0.000 0.206 130 L C 2.461 179.238 176.870 -0.155 0.000 1.074 130 L CA 0.741 55.455 54.840 -0.210 0.000 0.745 130 L CB -0.690 41.299 42.059 -0.117 0.000 0.898 130 L HN 0.082 nan 8.230 nan 0.000 0.433 131 I N -0.929 119.651 120.570 0.016 0.000 2.315 131 I HA -0.305 3.871 4.170 0.010 0.000 0.248 131 I C 2.494 178.521 176.117 -0.149 0.000 1.117 131 I CA 1.481 62.808 61.300 0.044 0.000 1.404 131 I CB -1.251 36.939 38.000 0.317 0.000 1.071 131 I HN 0.261 nan 8.210 nan 0.000 0.419 132 Y N 2.296 122.406 120.300 -0.317 0.000 2.128 132 Y HA -0.299 4.256 4.550 0.008 0.000 0.284 132 Y C 2.691 178.338 175.900 -0.422 0.000 1.154 132 Y CA 1.994 59.692 58.100 -0.669 0.000 1.149 132 Y CB -0.408 37.776 38.460 -0.460 0.000 0.976 132 Y HN 0.258 nan 8.280 nan 0.000 0.505 133 Q N -0.186 119.343 119.800 -0.452 0.000 2.119 133 Q HA -0.136 4.210 4.340 0.010 0.000 0.201 133 Q C 2.346 178.112 176.000 -0.389 0.000 0.972 133 Q CA 1.917 57.449 55.803 -0.452 0.000 0.847 133 Q CB -0.171 28.319 28.738 -0.414 0.000 0.903 133 Q HN 0.562 nan 8.270 nan 0.000 0.433 134 I N 0.559 120.931 120.570 -0.329 0.000 2.179 134 I HA -0.305 3.870 4.170 0.010 0.000 0.242 134 I C 2.106 178.042 176.117 -0.302 0.000 1.088 134 I CA 1.195 62.335 61.300 -0.268 0.000 1.357 134 I CB -0.238 37.639 38.000 -0.206 0.000 1.051 134 I HN 0.197 nan 8.210 nan 0.000 0.409 135 L N 0.117 121.128 121.223 -0.354 0.000 2.141 135 L HA -0.184 4.162 4.340 0.010 0.000 0.209 135 L C 2.749 179.393 176.870 -0.377 0.000 1.094 135 L CA 1.125 55.758 54.840 -0.345 0.000 0.763 135 L CB -0.508 41.327 42.059 -0.374 0.000 0.908 135 L HN 0.207 nan 8.230 nan 0.000 0.437 136 R N 0.185 120.385 120.500 -0.500 0.000 2.073 136 R HA -0.131 4.215 4.340 0.010 0.000 0.234 136 R C 2.254 178.356 176.300 -0.331 0.000 1.134 136 R CA 1.527 57.393 56.100 -0.390 0.000 0.952 136 R CB -0.458 29.538 30.300 -0.507 0.000 0.850 136 R HN 0.354 nan 8.270 nan 0.000 0.433 137 G N 0.775 109.346 108.800 -0.382 0.000 2.408 137 G HA2 -0.199 3.767 3.960 0.010 0.000 0.217 137 G HA3 -0.199 3.767 3.960 0.010 0.000 0.217 137 G C 1.459 176.112 174.900 -0.412 0.000 1.150 137 G CA 0.256 45.032 45.100 -0.540 0.000 0.776 137 G HN 0.227 nan 8.290 nan 0.000 0.542 138 L N 0.196 121.204 121.223 -0.358 0.000 2.046 138 L HA -0.053 4.292 4.340 0.010 0.000 0.208 138 L C 2.891 179.493 176.870 -0.448 0.000 1.077 138 L CA 1.631 56.203 54.840 -0.447 0.000 0.747 138 L CB -0.286 41.504 42.059 -0.448 0.000 0.896 138 L HN 0.294 nan 8.230 nan 0.000 0.432 139 K N -0.586 119.649 120.400 -0.276 0.000 2.063 139 K HA -0.292 4.034 4.320 0.010 0.000 0.208 139 K C 2.218 178.766 176.600 -0.088 0.000 1.048 139 K CA 1.928 58.137 56.287 -0.130 0.000 0.928 139 K CB -0.373 32.089 32.500 -0.063 0.000 0.713 139 K HN 0.205 nan 8.250 nan 0.000 0.442 140 Y N 1.380 121.512 120.300 -0.279 0.000 2.114 140 Y HA -0.197 4.358 4.550 0.007 0.000 0.284 140 Y C 1.921 177.710 175.900 -0.184 0.000 1.143 140 Y CA 1.847 59.803 58.100 -0.239 0.000 1.135 140 Y CB -0.182 37.979 38.460 -0.498 0.000 0.980 140 Y HN 0.010 nan 8.280 nan 0.000 0.499 141 I N -0.351 120.121 120.570 -0.163 0.000 2.127 141 I HA -0.412 3.764 4.170 0.010 0.000 0.241 141 I C 2.320 178.403 176.117 -0.056 0.000 1.075 141 I CA 2.056 63.246 61.300 -0.183 0.000 1.334 141 I CB -0.675 37.206 38.000 -0.198 0.000 1.040 141 I HN 0.365 nan 8.210 nan 0.000 0.405 142 H N -0.068 118.942 119.070 -0.101 0.000 2.387 142 H HA -0.141 4.421 4.556 0.009 0.000 0.299 142 H C 2.514 177.799 175.328 -0.071 0.000 1.090 142 H CA 1.262 57.275 56.048 -0.058 0.000 1.332 142 H CB 0.005 29.753 29.762 -0.023 0.000 1.386 142 H HN 0.409 nan 8.280 nan 0.000 0.516 143 S N 0.652 116.362 115.700 0.017 0.000 2.442 143 S HA -0.070 4.406 4.470 0.010 0.000 0.236 143 S C 2.075 176.640 174.600 -0.059 0.000 1.007 143 S CA 0.681 58.861 58.200 -0.033 0.000 0.965 143 S CB -0.030 63.124 63.200 -0.076 0.000 0.773 143 S HN 0.424 nan 8.310 nan 0.000 0.504 144 A N 1.031 123.792 122.820 -0.099 0.000 2.251 144 A HA 0.249 4.574 4.320 0.010 0.000 0.209 144 A C 0.497 178.083 177.584 0.003 0.000 1.187 144 A CA 0.378 52.386 52.037 -0.048 0.000 0.823 144 A CB -0.297 18.653 19.000 -0.083 0.000 0.846 144 A HN 0.401 nan 8.150 nan 0.000 0.486 145 D N -1.313 119.093 120.400 0.010 0.000 2.947 145 D HA -0.138 4.508 4.640 0.010 0.000 0.224 145 D C -0.325 176.000 176.300 0.043 0.000 1.132 145 D CA 0.971 54.986 54.000 0.024 0.000 0.801 145 D CB -1.675 39.142 40.800 0.029 0.000 1.097 145 D HN 0.537 nan 8.370 nan 0.000 0.431 146 I N 0.765 121.352 120.570 0.029 0.000 2.441 146 I HA 0.391 4.567 4.170 0.010 0.000 0.295 146 I C 0.711 176.895 176.117 0.111 0.000 0.994 146 I CA -0.805 60.510 61.300 0.024 0.000 1.144 146 I CB 1.769 39.705 38.000 -0.107 0.000 1.314 146 I HN -0.155 nan 8.210 nan 0.000 0.445 147 I N 4.965 125.607 120.570 0.119 0.000 2.377 147 I HA 0.180 4.356 4.170 0.010 0.000 0.293 147 I C 1.158 177.407 176.117 0.219 0.000 0.987 147 I CA -0.546 60.863 61.300 0.181 0.000 1.185 147 I CB 1.523 39.621 38.000 0.164 0.000 1.341 147 I HN 0.705 nan 8.210 nan 0.000 0.455 148 H N 6.640 125.834 119.070 0.205 0.000 2.299 148 H HA -0.050 4.511 4.556 0.009 0.000 0.302 148 H C 1.529 176.936 175.328 0.132 0.000 1.078 148 H CA 2.168 58.323 56.048 0.179 0.000 1.323 148 H CB 0.402 30.256 29.762 0.154 0.000 1.381 148 H HN 0.690 nan 8.280 nan 0.000 0.498 149 R N -0.741 119.963 120.500 0.339 0.000 3.746 149 R HA -0.194 4.152 4.340 0.010 0.000 0.465 149 R C -0.535 175.899 176.300 0.222 0.000 0.725 149 R CA 1.479 57.692 56.100 0.189 0.000 1.545 149 R CB -1.278 29.091 30.300 0.116 0.000 2.197 149 R HN 0.446 nan 8.270 nan 0.000 0.438 150 D N -0.096 120.599 120.400 0.491 0.000 3.007 150 D HA 0.177 4.822 4.640 0.010 0.000 0.363 150 D C -1.211 175.178 176.300 0.148 0.000 1.474 150 D CA -0.384 53.798 54.000 0.303 0.000 0.767 150 D CB 0.393 41.383 40.800 0.316 0.000 1.227 150 D HN 0.042 nan 8.370 nan 0.000 0.471 151 L N 2.122 123.260 121.223 -0.142 0.000 2.455 151 L HA 0.335 4.681 4.340 0.010 0.000 0.272 151 L C 0.210 176.948 176.870 -0.219 0.000 1.174 151 L CA 0.851 55.446 54.840 -0.408 0.000 0.869 151 L CB 0.073 41.916 42.059 -0.360 0.000 1.130 151 L HN 0.253 nan 8.230 nan 0.000 0.474 152 K N 2.790 123.000 120.400 -0.316 0.000 2.607 152 K HA 0.447 4.773 4.320 0.010 0.000 0.287 152 K C -2.780 173.546 176.600 -0.456 0.000 0.996 152 K CA -1.484 54.452 56.287 -0.587 0.000 0.876 152 K CB 0.695 32.904 32.500 -0.486 0.000 1.496 152 K HN 0.034 nan 8.250 nan 0.000 0.415 153 P HA -0.248 nan 4.420 nan 0.000 0.216 153 P C 1.314 178.511 177.300 -0.171 0.000 1.150 153 P CA 2.097 65.032 63.100 -0.276 0.000 0.843 153 P CB 0.042 31.617 31.700 -0.208 0.000 0.787 154 S N -2.052 113.562 115.700 -0.144 0.000 2.507 154 S HA -0.063 4.413 4.470 0.010 0.000 0.235 154 S C 1.555 176.102 174.600 -0.088 0.000 0.988 154 S CA 0.880 59.034 58.200 -0.076 0.000 0.944 154 S CB -0.997 62.200 63.200 -0.004 0.000 0.762 154 S HN 0.058 nan 8.310 nan 0.000 0.526 155 N N 0.995 119.638 118.700 -0.095 0.000 2.268 155 N HA 0.337 5.082 4.740 0.010 0.000 0.204 155 N C -0.783 174.689 175.510 -0.064 0.000 1.124 155 N CA 0.124 53.141 53.050 -0.055 0.000 0.838 155 N CB 0.235 38.723 38.487 0.001 0.000 0.994 155 N HN 0.485 nan 8.380 nan 0.000 0.489 156 L N 0.924 122.089 121.223 -0.098 0.000 2.318 156 L HA 0.539 4.885 4.340 0.010 0.000 0.277 156 L C -0.042 176.780 176.870 -0.080 0.000 1.008 156 L CA -0.852 53.932 54.840 -0.093 0.000 0.846 156 L CB 1.494 43.478 42.059 -0.126 0.000 1.220 156 L HN -0.125 nan 8.230 nan 0.000 0.423 157 A N 4.116 126.899 122.820 -0.061 0.000 2.362 157 A HA 0.658 4.984 4.320 0.010 0.000 0.276 157 A C -0.100 177.456 177.584 -0.047 0.000 1.153 157 A CA -0.373 51.632 52.037 -0.052 0.000 0.813 157 A CB 0.657 19.636 19.000 -0.035 0.000 1.081 157 A HN 0.552 nan 8.150 nan 0.000 0.507 158 V N 1.137 121.029 119.914 -0.036 0.000 2.876 158 V HA 0.769 4.895 4.120 0.010 0.000 0.312 158 V C -0.486 175.610 176.094 0.004 0.000 1.085 158 V CA -1.023 61.264 62.300 -0.023 0.000 0.945 158 V CB 1.783 33.593 31.823 -0.020 0.000 1.017 158 V HN 1.014 nan 8.190 nan 0.000 0.428 159 N N 0.794 119.506 118.700 0.020 0.000 2.643 159 N HA 0.355 5.100 4.740 0.010 0.000 0.305 159 N C 0.632 176.174 175.510 0.053 0.000 1.283 159 N CA -0.235 52.836 53.050 0.035 0.000 0.946 159 N CB 0.651 39.159 38.487 0.036 0.000 1.149 159 N HN 0.785 nan 8.380 nan 0.000 0.600 160 E N -1.466 118.765 120.200 0.051 0.000 2.265 160 E HA -0.123 4.233 4.350 0.010 0.000 0.196 160 E C -0.180 176.461 176.600 0.068 0.000 0.996 160 E CA 0.953 57.385 56.400 0.054 0.000 0.832 160 E CB -0.018 29.707 29.700 0.041 0.000 0.756 160 E HN 0.460 nan 8.360 nan 0.000 0.491 161 D N -0.604 119.844 120.400 0.081 0.000 2.358 161 D HA 0.074 4.720 4.640 0.010 0.000 0.224 161 D C -0.072 176.353 176.300 0.207 0.000 1.123 161 D CA 0.092 54.154 54.000 0.105 0.000 0.833 161 D CB 0.711 41.564 40.800 0.089 0.000 0.946 161 D HN -0.100 nan 8.370 nan 0.000 0.505 162 S N 0.420 116.237 115.700 0.195 0.000 3.476 162 S HA -0.191 4.285 4.470 0.010 0.000 0.309 162 S C 0.252 174.934 174.600 0.137 0.000 1.222 162 S CA 0.581 58.929 58.200 0.247 0.000 0.922 162 S CB -1.088 62.390 63.200 0.462 0.000 1.023 162 S HN 0.477 nan 8.310 nan 0.000 0.591 163 E N 0.092 120.358 120.200 0.109 0.000 2.354 163 E HA 0.524 4.880 4.350 0.010 0.000 0.269 163 E C -0.005 176.542 176.600 -0.087 0.000 1.036 163 E CA -0.151 56.249 56.400 0.000 0.000 0.876 163 E CB 0.991 30.723 29.700 0.052 0.000 1.009 163 E HN 0.434 nan 8.360 nan 0.000 0.416 164 L N 2.042 123.166 121.223 -0.164 0.000 2.381 164 L HA 0.496 4.842 4.340 0.010 0.000 0.268 164 L C -1.356 175.448 176.870 -0.110 0.000 0.997 164 L CA -0.629 54.124 54.840 -0.144 0.000 0.818 164 L CB 1.331 43.264 42.059 -0.210 0.000 1.310 164 L HN 0.405 nan 8.230 nan 0.000 0.416 165 K N 5.419 125.778 120.400 -0.069 0.000 2.443 165 K HA 0.503 4.829 4.320 0.010 0.000 0.252 165 K C -1.242 175.357 176.600 -0.002 0.000 0.933 165 K CA -0.604 55.666 56.287 -0.028 0.000 0.792 165 K CB 2.517 35.019 32.500 0.003 0.000 1.185 165 K HN 0.506 nan 8.250 nan 0.000 0.425 166 I N 4.459 125.046 120.570 0.028 0.000 2.496 166 I HA 0.131 4.307 4.170 0.010 0.000 0.285 166 I C -0.049 176.211 176.117 0.239 0.000 1.080 166 I CA -0.272 61.085 61.300 0.095 0.000 1.404 166 I CB 0.317 38.376 38.000 0.098 0.000 1.403 166 I HN 0.306 nan 8.210 nan 0.000 0.539 167 L N 5.287 126.616 121.223 0.176 0.000 2.332 167 L HA 0.406 4.752 4.340 0.010 0.000 0.269 167 L C 0.696 177.610 176.870 0.073 0.000 1.016 167 L CA -0.661 54.230 54.840 0.084 0.000 0.809 167 L CB 0.880 42.927 42.059 -0.020 0.000 1.280 167 L HN 0.643 nan 8.230 nan 0.000 0.447 168 D N 0.681 120.916 120.400 -0.274 0.000 3.012 168 D HA -0.202 4.443 4.640 0.010 0.000 0.222 168 D C -0.286 175.634 176.300 -0.633 0.000 1.167 168 D CA 0.795 54.570 54.000 -0.376 0.000 0.854 168 D CB -0.625 40.117 40.800 -0.098 0.000 1.107 168 D HN 0.328 nan 8.370 nan 0.000 0.421 169 F N -1.028 118.663 119.950 -0.433 0.000 2.518 169 F HA 0.408 4.942 4.527 0.012 0.000 0.359 169 F C 1.806 177.373 175.800 -0.389 0.000 1.118 169 F CA 0.071 57.661 58.000 -0.684 0.000 1.287 169 F CB 0.313 39.176 39.000 -0.227 0.000 1.132 169 F HN -0.030 nan 8.300 nan 0.000 0.587 170 G N 2.103 110.808 108.800 -0.160 0.000 2.189 170 G HA2 -0.249 3.717 3.960 0.010 0.000 0.267 170 G HA3 -0.249 3.717 3.960 0.010 0.000 0.267 170 G C -0.253 174.593 174.900 -0.090 0.000 0.975 170 G CA 0.196 45.264 45.100 -0.053 0.000 0.644 170 G HN 0.603 nan 8.290 nan 0.000 0.537 171 L N 0.723 121.837 121.223 -0.181 0.000 2.313 171 L HA 0.745 5.091 4.340 0.010 0.000 0.273 171 L C 0.510 177.301 176.870 -0.133 0.000 1.028 171 L CA -0.394 54.353 54.840 -0.156 0.000 0.871 171 L CB 0.512 42.444 42.059 -0.211 0.000 1.242 171 L HN 0.525 nan 8.230 nan 0.000 0.434 172 A N 2.672 125.445 122.820 -0.078 0.000 2.802 172 A HA 0.673 4.999 4.320 0.010 0.000 0.344 172 A C 0.728 178.270 177.584 -0.070 0.000 1.215 172 A CA -0.475 51.538 52.037 -0.039 0.000 0.821 172 A CB 0.151 19.182 19.000 0.051 0.000 1.099 172 A HN 0.632 nan 8.150 nan 0.000 0.479 173 R N 2.133 122.519 120.500 -0.191 0.000 3.026 173 R HA 0.368 4.713 4.340 0.010 0.000 0.317 173 R C -0.450 175.726 176.300 -0.208 0.000 1.278 173 R CA -0.444 55.559 56.100 -0.161 0.000 1.407 173 R CB -0.560 29.636 30.300 -0.173 0.000 1.368 173 R HN 0.798 nan 8.270 nan 0.000 0.612 174 H N 1.331 120.383 119.070 -0.031 0.000 2.690 174 H HA 0.171 4.732 4.556 0.009 0.000 0.314 174 H C 0.674 175.986 175.328 -0.026 0.000 1.069 174 H CA 0.684 56.712 56.048 -0.032 0.000 1.436 174 H CB 1.559 31.302 29.762 -0.032 0.000 1.462 174 H HN 0.642 nan 8.280 nan 0.000 0.511 175 T N 0.234 114.835 114.554 0.078 0.000 2.802 175 T HA -0.027 4.329 4.350 0.010 0.000 0.305 175 T C 1.168 175.900 174.700 0.053 0.000 1.053 175 T CA -0.721 61.404 62.100 0.041 0.000 1.058 175 T CB 0.961 69.838 68.868 0.015 0.000 0.988 175 T HN 0.398 nan 8.240 nan 0.000 0.539 176 D N 0.398 120.818 120.400 0.035 0.000 2.117 176 D HA -0.099 4.546 4.640 0.010 0.000 0.197 176 D C 1.686 178.007 176.300 0.035 0.000 0.987 176 D CA 1.539 55.562 54.000 0.037 0.000 0.829 176 D CB -0.430 40.378 40.800 0.013 0.000 0.961 176 D HN 0.841 nan 8.370 nan 0.000 0.460 177 D N 0.718 121.129 120.400 0.019 0.000 2.149 177 D HA -0.140 4.506 4.640 0.010 0.000 0.198 177 D C 1.655 177.958 176.300 0.005 0.000 0.990 177 D CA 0.970 54.977 54.000 0.012 0.000 0.839 177 D CB 0.100 40.902 40.800 0.003 0.000 0.948 177 D HN 0.226 nan 8.370 nan 0.000 0.460 178 E N -0.957 119.248 120.200 0.010 0.000 2.268 178 E HA -0.083 4.273 4.350 0.010 0.000 0.195 178 E C 1.352 177.913 176.600 -0.065 0.000 0.995 178 E CA 0.453 56.848 56.400 -0.009 0.000 0.836 178 E CB 0.064 29.798 29.700 0.056 0.000 0.763 178 E HN 0.420 nan 8.360 nan 0.000 0.491 179 M N 0.578 120.157 119.600 -0.036 0.000 2.428 179 M HA 0.090 4.576 4.480 0.010 0.000 0.239 179 M C 0.247 176.541 176.300 -0.010 0.000 1.121 179 M CA 0.531 55.785 55.300 -0.077 0.000 1.019 179 M CB 0.325 32.915 32.600 -0.016 0.000 1.485 179 M HN -0.173 nan 8.290 nan 0.000 0.484 180 T N 0.855 115.425 114.554 0.026 0.000 2.882 180 T HA 0.592 4.948 4.350 0.010 0.000 0.287 180 T C 0.755 175.475 174.700 0.034 0.000 0.992 180 T CA 0.465 62.611 62.100 0.077 0.000 1.076 180 T CB 1.681 70.585 68.868 0.060 0.000 0.961 180 T HN 0.630 nan 8.240 nan 0.000 0.490 181 G N 1.662 110.514 108.800 0.086 0.000 2.542 181 G HA2 -0.252 3.714 3.960 0.010 0.000 0.235 181 G HA3 -0.252 3.714 3.960 0.010 0.000 0.235 181 G C -0.593 174.399 174.900 0.153 0.000 1.286 181 G CA -0.425 44.746 45.100 0.119 0.000 0.904 181 G HN 0.768 nan 8.290 nan 0.000 0.577 182 Y N 1.772 122.124 120.300 0.087 0.000 2.623 182 Y HA 0.462 5.018 4.550 0.010 0.000 0.341 182 Y C 0.935 176.813 175.900 -0.036 0.000 1.292 182 Y CA 0.021 58.254 58.100 0.222 0.000 1.840 182 Y CB -0.347 38.260 38.460 0.245 0.000 1.865 182 Y HN 0.994 nan 8.280 nan 0.000 0.440 183 V N 0.635 120.158 119.914 -0.652 0.000 2.709 183 V HA 0.734 4.860 4.120 0.010 0.000 0.308 183 V C 0.671 175.618 176.094 -1.913 0.000 1.062 183 V CA -0.421 61.248 62.300 -1.051 0.000 0.901 183 V CB 1.174 32.691 31.823 -0.510 0.000 1.003 183 V HN 0.444 nan 8.190 nan 0.000 0.425 184 A N 2.528 124.335 122.820 -1.688 0.000 2.125 184 A HA -0.044 4.282 4.320 0.010 0.000 0.219 184 A C 2.018 179.355 177.584 -0.412 0.000 1.156 184 A CA 2.066 53.503 52.037 -1.001 0.000 0.671 184 A CB -0.880 17.957 19.000 -0.272 0.000 0.794 184 A HN 1.455 nan 8.150 nan 0.000 0.459 185 T N -3.053 111.212 114.554 -0.482 0.000 2.962 185 T HA -0.075 4.280 4.350 0.010 0.000 0.270 185 T C 1.764 176.257 174.700 -0.345 0.000 1.088 185 T CA 1.357 63.222 62.100 -0.391 0.000 1.127 185 T CB -0.114 68.479 68.868 -0.458 0.000 0.883 185 T HN 0.528 nan 8.240 nan 0.000 0.493 186 R N -1.443 118.821 120.500 -0.393 0.000 2.316 186 R HA 0.161 4.507 4.340 0.010 0.000 0.201 186 R C 1.503 177.757 176.300 -0.077 0.000 0.888 186 R CA -0.153 55.786 56.100 -0.269 0.000 1.041 186 R CB 0.157 30.244 30.300 -0.356 0.000 1.115 186 R HN 0.345 nan 8.270 nan 0.000 0.559 187 W N 0.251 121.426 121.300 -0.208 0.000 2.364 187 W HA -0.144 4.522 4.660 0.009 0.000 0.281 187 W C 0.761 177.049 176.519 -0.385 0.000 1.219 187 W CA 0.744 57.884 57.345 -0.342 0.000 1.220 187 W CB -0.662 28.453 29.460 -0.576 0.000 1.127 187 W HN 0.168 nan 8.180 nan 0.000 0.556 188 Y N -0.344 120.117 120.300 0.269 0.000 2.458 188 Y HA 0.221 4.777 4.550 0.010 0.000 0.256 188 Y C 1.237 177.292 175.900 0.259 0.000 1.159 188 Y CA -0.298 57.949 58.100 0.246 0.000 1.261 188 Y CB -0.304 38.234 38.460 0.130 0.000 1.119 188 Y HN -0.414 nan 8.280 nan 0.000 0.524 189 R N 1.375 122.009 120.500 0.223 0.000 2.390 189 R HA 0.484 4.829 4.340 0.010 0.000 0.291 189 R C 0.264 176.507 176.300 -0.096 0.000 1.070 189 R CA -0.251 55.882 56.100 0.055 0.000 1.014 189 R CB 0.810 31.050 30.300 -0.100 0.000 1.007 189 R HN 0.160 nan 8.270 nan 0.000 0.466 190 A N 5.224 127.877 122.820 -0.278 0.000 2.462 190 A HA 0.187 4.512 4.320 0.010 0.000 0.243 190 A C -1.152 175.933 177.584 -0.832 0.000 1.076 190 A CA -1.094 50.419 52.037 -0.873 0.000 0.773 190 A CB 0.059 18.762 19.000 -0.495 0.000 1.010 190 A HN 0.484 nan 8.150 nan 0.000 0.493 191 P HA -0.230 nan 4.420 nan 0.000 0.216 191 P C 1.091 177.627 177.300 -1.272 0.000 1.150 191 P CA 1.660 64.115 63.100 -1.074 0.000 0.837 191 P CB 0.020 31.045 31.700 -1.124 0.000 0.786 192 E N 0.299 119.888 120.200 -1.019 0.000 2.204 192 E HA -0.163 4.193 4.350 0.010 0.000 0.195 192 E C 2.110 178.470 176.600 -0.401 0.000 0.990 192 E CA 0.900 56.911 56.400 -0.648 0.000 0.821 192 E CB -1.099 28.564 29.700 -0.062 0.000 0.750 192 E HN 0.337 nan 8.360 nan 0.000 0.477 193 I N -0.389 119.931 120.570 -0.417 0.000 2.867 193 I HA -0.009 4.167 4.170 0.010 0.000 0.265 193 I C 2.591 178.537 176.117 -0.286 0.000 1.162 193 I CA 0.175 61.275 61.300 -0.333 0.000 1.471 193 I CB 0.054 37.705 38.000 -0.582 0.000 1.123 193 I HN 0.031 nan 8.210 nan 0.000 0.440 194 M N 0.504 119.886 119.600 -0.364 0.000 2.159 194 M HA -0.157 4.329 4.480 0.010 0.000 0.263 194 M C 1.008 177.229 176.300 -0.133 0.000 1.063 194 M CA 1.956 57.102 55.300 -0.257 0.000 1.110 194 M CB 0.123 32.528 32.600 -0.325 0.000 1.374 194 M HN 0.230 nan 8.290 nan 0.000 0.411 195 L N -0.114 120.940 121.223 -0.281 0.000 2.910 195 L HA 0.270 4.616 4.340 0.010 0.000 0.252 195 L C -0.366 176.471 176.870 -0.055 0.000 1.195 195 L CA -0.376 54.377 54.840 -0.146 0.000 1.003 195 L CB -0.375 41.581 42.059 -0.171 0.000 1.328 195 L HN 0.340 nan 8.230 nan 0.000 0.540 196 N N -0.486 118.173 118.700 -0.069 0.000 2.669 196 N HA -0.244 4.502 4.740 0.010 0.000 0.266 196 N C 0.308 175.930 175.510 0.186 0.000 1.024 196 N CA 0.317 53.406 53.050 0.065 0.000 0.766 196 N CB -0.676 37.858 38.487 0.077 0.000 0.898 196 N HN 0.407 nan 8.380 nan 0.000 0.548 197 W N -0.005 121.298 121.300 0.006 0.000 2.476 197 W HA 0.184 4.850 4.660 0.009 0.000 0.281 197 W C 1.354 177.853 176.519 -0.033 0.000 1.230 197 W CA 0.654 57.991 57.345 -0.014 0.000 1.287 197 W CB -0.312 29.135 29.460 -0.021 0.000 1.108 197 W HN 0.461 nan 8.180 nan 0.000 0.567 198 M N -2.694 117.032 119.600 0.211 0.000 3.012 198 M HA 0.279 4.765 4.480 0.010 0.000 0.272 198 M C -1.048 175.272 176.300 0.033 0.000 1.187 198 M CA -0.853 54.481 55.300 0.056 0.000 0.813 198 M CB 1.645 34.310 32.600 0.108 0.000 1.626 198 M HN -0.337 nan 8.290 nan 0.000 0.507 199 H N 2.443 121.533 119.070 0.034 0.000 3.026 199 H HA 0.271 4.832 4.556 0.010 0.000 0.289 199 H C -1.130 174.171 175.328 -0.045 0.000 1.022 199 H CA 0.588 56.586 56.048 -0.085 0.000 1.477 199 H CB -0.395 29.304 29.762 -0.105 0.000 1.510 199 H HN 0.563 nan 8.280 nan 0.000 0.535 200 Y N 2.199 122.581 120.300 0.137 0.000 2.334 200 Y HA 0.335 4.890 4.550 0.009 0.000 0.325 200 Y C 0.524 176.454 175.900 0.049 0.000 1.308 200 Y CA -1.135 57.007 58.100 0.070 0.000 1.389 200 Y CB 0.786 39.265 38.460 0.032 0.000 1.328 200 Y HN 0.612 nan 8.280 nan 0.000 0.532 201 N N -0.568 118.299 118.700 0.278 0.000 3.439 201 N HA 0.114 4.860 4.740 0.010 0.000 0.343 201 N C 0.176 175.756 175.510 0.116 0.000 1.597 201 N CA -0.608 52.525 53.050 0.140 0.000 0.733 201 N CB 0.937 39.451 38.487 0.045 0.000 1.973 201 N HN 0.848 nan 8.380 nan 0.000 0.646 202 Q N -0.399 119.370 119.800 -0.052 0.000 2.364 202 Q HA -0.114 4.232 4.340 0.010 0.000 0.209 202 Q C 1.305 177.220 176.000 -0.142 0.000 0.977 202 Q CA 2.225 57.869 55.803 -0.265 0.000 0.885 202 Q CB -0.718 27.562 28.738 -0.762 0.000 0.941 202 Q HN 0.762 nan 8.270 nan 0.000 0.464 203 T N -1.138 113.410 114.554 -0.009 0.000 3.007 203 T HA -0.076 4.279 4.350 0.010 0.000 0.270 203 T C 1.902 176.685 174.700 0.138 0.000 1.107 203 T CA 0.943 63.092 62.100 0.082 0.000 1.118 203 T CB -0.590 68.332 68.868 0.091 0.000 0.889 203 T HN 0.355 nan 8.240 nan 0.000 0.506 204 V N 0.364 120.344 119.914 0.109 0.000 2.490 204 V HA -0.132 3.994 4.120 0.010 0.000 0.250 204 V C 2.099 178.297 176.094 0.173 0.000 1.061 204 V CA 1.897 64.250 62.300 0.089 0.000 1.064 204 V CB -0.803 30.995 31.823 -0.042 0.000 0.670 204 V HN 0.266 nan 8.190 nan 0.000 0.461 205 D N 0.608 121.127 120.400 0.199 0.000 2.178 205 D HA -0.050 4.596 4.640 0.010 0.000 0.202 205 D C 2.210 178.632 176.300 0.203 0.000 0.974 205 D CA 1.267 55.399 54.000 0.220 0.000 0.841 205 D CB -0.080 40.909 40.800 0.314 0.000 0.953 205 D HN 0.416 nan 8.370 nan 0.000 0.478 206 I N 0.499 121.208 120.570 0.231 0.000 2.315 206 I HA -0.204 3.972 4.170 0.010 0.000 0.248 206 I C 2.335 178.568 176.117 0.193 0.000 1.117 206 I CA 0.652 62.061 61.300 0.181 0.000 1.404 206 I CB -0.891 37.217 38.000 0.179 0.000 1.071 206 I HN 0.271 nan 8.210 nan 0.000 0.419 207 W N 2.113 123.464 121.300 0.085 0.000 2.335 207 W HA -0.229 4.437 4.660 0.009 0.000 0.311 207 W C 2.508 179.098 176.519 0.120 0.000 1.213 207 W CA 1.808 59.214 57.345 0.101 0.000 1.274 207 W CB -0.308 29.198 29.460 0.076 0.000 1.148 207 W HN 0.092 nan 8.180 nan 0.000 0.498 208 S N 0.921 116.819 115.700 0.329 0.000 2.370 208 S HA -0.207 4.269 4.470 0.010 0.000 0.226 208 S C 1.855 176.512 174.600 0.095 0.000 1.033 208 S CA 1.848 60.193 58.200 0.242 0.000 1.011 208 S CB -0.855 62.456 63.200 0.185 0.000 0.852 208 S HN 0.142 nan 8.310 nan 0.000 0.457 209 V N 1.794 121.731 119.914 0.038 0.000 2.332 209 V HA -0.165 3.961 4.120 0.010 0.000 0.248 209 V C 2.639 178.705 176.094 -0.046 0.000 1.055 209 V CA 1.908 64.198 62.300 -0.017 0.000 1.038 209 V CB -1.602 30.209 31.823 -0.019 0.000 0.651 209 V HN 0.592 nan 8.190 nan 0.000 0.450 210 G N -1.016 107.730 108.800 -0.090 0.000 2.446 210 G HA2 -0.280 3.686 3.960 0.010 0.000 0.217 210 G HA3 -0.280 3.686 3.960 0.010 0.000 0.217 210 G C 1.746 176.526 174.900 -0.200 0.000 1.168 210 G CA 1.375 46.365 45.100 -0.183 0.000 0.771 210 G HN 0.539 nan 8.290 nan 0.000 0.551 211 C N 0.324 119.521 119.300 -0.171 0.000 2.413 211 C HA 0.022 4.488 4.460 0.010 0.000 0.276 211 C C 2.849 177.875 174.990 0.060 0.000 1.248 211 C CA 0.532 59.504 59.018 -0.076 0.000 1.742 211 C CB -1.020 26.788 27.740 0.113 0.000 2.017 211 C HN 0.473 nan 8.230 nan 0.000 0.481 212 I N 0.402 121.038 120.570 0.110 0.000 2.179 212 I HA -0.286 3.889 4.170 0.010 0.000 0.242 212 I C 2.672 178.778 176.117 -0.018 0.000 1.088 212 I CA 1.802 63.136 61.300 0.057 0.000 1.357 212 I CB -0.474 37.495 38.000 -0.050 0.000 1.051 212 I HN 0.379 nan 8.210 nan 0.000 0.409 213 M N 0.811 120.375 119.600 -0.059 0.000 2.080 213 M HA -0.238 4.247 4.480 0.010 0.000 0.260 213 M C 2.417 178.637 176.300 -0.134 0.000 1.068 213 M CA 2.298 57.547 55.300 -0.084 0.000 1.109 213 M CB -0.154 32.383 32.600 -0.106 0.000 1.342 213 M HN 0.257 nan 8.290 nan 0.000 0.405 214 A N -0.054 122.650 122.820 -0.194 0.000 1.908 214 A HA -0.259 4.067 4.320 0.010 0.000 0.218 214 A C 1.967 179.515 177.584 -0.061 0.000 1.181 214 A CA 2.142 54.054 52.037 -0.209 0.000 0.627 214 A CB -0.997 17.897 19.000 -0.178 0.000 0.818 214 A HN 0.740 nan 8.150 nan 0.000 0.445 215 E N -0.204 119.969 120.200 -0.045 0.000 2.110 215 E HA -0.145 4.211 4.350 0.010 0.000 0.193 215 E C 1.882 178.477 176.600 -0.009 0.000 0.988 215 E CA 1.033 57.427 56.400 -0.011 0.000 0.804 215 E CB -0.198 29.534 29.700 0.053 0.000 0.745 215 E HN 0.651 nan 8.360 nan 0.000 0.458 216 L N 0.404 121.613 121.223 -0.024 0.000 2.141 216 L HA -0.143 4.203 4.340 0.010 0.000 0.209 216 L C 2.395 179.257 176.870 -0.015 0.000 1.094 216 L CA 0.619 55.439 54.840 -0.033 0.000 0.763 216 L CB -0.226 41.801 42.059 -0.052 0.000 0.908 216 L HN 0.239 nan 8.230 nan 0.000 0.437 217 L N -0.670 120.544 121.223 -0.015 0.000 2.313 217 L HA -0.088 4.258 4.340 0.010 0.000 0.214 217 L C 2.398 179.289 176.870 0.035 0.000 1.119 217 L CA 1.483 56.327 54.840 0.007 0.000 0.809 217 L CB -0.403 41.633 42.059 -0.039 0.000 0.933 217 L HN 0.436 nan 8.230 nan 0.000 0.449 218 T N -5.930 108.644 114.554 0.034 0.000 2.955 218 T HA 0.262 4.617 4.350 0.010 0.000 0.251 218 T C 1.459 176.164 174.700 0.008 0.000 1.002 218 T CA 0.518 62.638 62.100 0.034 0.000 0.970 218 T CB 0.934 69.826 68.868 0.039 0.000 1.091 218 T HN 0.289 nan 8.240 nan 0.000 0.495 219 G N 2.000 110.802 108.800 0.003 0.000 2.159 219 G HA2 -0.199 3.766 3.960 0.010 0.000 0.256 219 G HA3 -0.199 3.766 3.960 0.010 0.000 0.256 219 G C 0.020 174.914 174.900 -0.011 0.000 0.977 219 G CA -0.111 44.989 45.100 0.001 0.000 0.652 219 G HN 0.673 nan 8.290 nan 0.000 0.531 220 R N 0.412 120.893 120.500 -0.032 0.000 2.621 220 R HA 0.501 4.847 4.340 0.010 0.000 0.292 220 R C -0.107 176.125 176.300 -0.114 0.000 0.969 220 R CA -0.447 55.611 56.100 -0.071 0.000 0.887 220 R CB 1.104 31.347 30.300 -0.095 0.000 1.180 220 R HN 0.155 nan 8.270 nan 0.000 0.450 221 T N 3.074 117.527 114.554 -0.168 0.000 2.934 221 T HA -0.035 4.321 4.350 0.010 0.000 0.306 221 T C 1.590 176.075 174.700 -0.359 0.000 1.042 221 T CA -0.103 61.830 62.100 -0.277 0.000 1.145 221 T CB 0.528 69.072 68.868 -0.540 0.000 0.982 221 T HN 0.379 nan 8.240 nan 0.000 0.544 222 L N 2.588 123.559 121.223 -0.419 0.000 2.044 222 L HA 0.233 4.579 4.340 0.010 0.000 0.205 222 L C 0.370 176.781 176.870 -0.764 0.000 1.075 222 L CA 1.742 56.194 54.840 -0.646 0.000 0.747 222 L CB -0.145 41.412 42.059 -0.838 0.000 0.903 222 L HN 0.630 nan 8.230 nan 0.000 0.435 223 F N 1.314 121.081 119.950 -0.304 0.000 2.523 223 F HA 0.400 4.932 4.527 0.009 0.000 0.322 223 F C -2.087 173.389 175.800 -0.539 0.000 1.361 223 F CA -2.624 55.213 58.000 -0.272 0.000 1.151 223 F CB 0.093 39.039 39.000 -0.088 0.000 1.391 223 F HN 0.041 nan 8.300 nan 0.000 0.566 224 P HA 0.128 nan 4.420 nan 0.000 0.237 224 P C 0.587 177.653 177.300 -0.391 0.000 1.788 224 P CA 0.275 62.606 63.100 -1.281 0.000 1.061 224 P CB 0.345 31.419 31.700 -1.043 0.000 1.967 225 G N 1.628 110.376 108.800 -0.086 0.000 2.491 225 G HA2 0.186 4.152 3.960 0.010 0.000 0.242 225 G HA3 0.186 4.152 3.960 0.010 0.000 0.242 225 G C 1.197 176.372 174.900 0.459 0.000 1.266 225 G CA -0.184 45.044 45.100 0.214 0.000 0.844 225 G HN 0.350 nan 8.290 nan 0.000 0.571 226 T N -1.853 112.922 114.554 0.369 0.000 3.088 226 T HA 0.189 4.545 4.350 0.010 0.000 0.259 226 T C 0.396 175.255 174.700 0.266 0.000 1.122 226 T CA 0.857 63.188 62.100 0.385 0.000 1.095 226 T CB -0.315 68.676 68.868 0.204 0.000 0.930 226 T HN 0.798 nan 8.240 nan 0.000 0.508 227 D N -1.849 118.680 120.400 0.216 0.000 2.764 227 D HA 0.198 4.844 4.640 0.010 0.000 0.293 227 D C 0.003 176.406 176.300 0.172 0.000 1.287 227 D CA -0.839 53.274 54.000 0.188 0.000 0.768 227 D CB 0.082 40.980 40.800 0.163 0.000 1.288 227 D HN -0.094 nan 8.370 nan 0.000 0.426 228 H N -0.300 118.785 119.070 0.026 0.000 2.319 228 H HA -0.065 4.497 4.556 0.010 0.000 0.297 228 H C 1.646 176.981 175.328 0.012 0.000 1.097 228 H CA 1.998 58.045 56.048 -0.002 0.000 1.285 228 H CB -0.149 29.590 29.762 -0.039 0.000 1.368 228 H HN 0.353 nan 8.280 nan 0.000 0.495 229 I N 0.314 120.978 120.570 0.156 0.000 2.202 229 I HA -0.191 3.984 4.170 0.010 0.000 0.242 229 I C 2.159 178.351 176.117 0.125 0.000 1.091 229 I CA 1.473 62.846 61.300 0.120 0.000 1.368 229 I CB -1.033 37.006 38.000 0.067 0.000 1.058 229 I HN 0.280 nan 8.210 nan 0.000 0.410 230 D N 0.566 121.034 120.400 0.113 0.000 2.097 230 D HA -0.267 4.379 4.640 0.010 0.000 0.195 230 D C 2.269 178.624 176.300 0.092 0.000 0.989 230 D CA 1.419 55.481 54.000 0.103 0.000 0.827 230 D CB -0.013 40.854 40.800 0.112 0.000 0.966 230 D HN 0.307 nan 8.370 nan 0.000 0.456 231 Q N -0.769 119.085 119.800 0.091 0.000 2.084 231 Q HA -0.161 4.185 4.340 0.010 0.000 0.202 231 Q C 2.180 178.172 176.000 -0.014 0.000 0.978 231 Q CA 1.070 56.905 55.803 0.053 0.000 0.844 231 Q CB -0.200 28.566 28.738 0.047 0.000 0.898 231 Q HN 0.383 nan 8.270 nan 0.000 0.426 232 L N 1.010 122.241 121.223 0.013 0.000 2.046 232 L HA -0.178 4.168 4.340 0.010 0.000 0.208 232 L C 1.842 178.733 176.870 0.034 0.000 1.077 232 L CA 1.890 56.736 54.840 0.009 0.000 0.747 232 L CB -0.274 41.858 42.059 0.121 0.000 0.896 232 L HN 0.050 nan 8.230 nan 0.000 0.432 233 K N -0.689 119.755 120.400 0.073 0.000 2.097 233 K HA -0.134 4.191 4.320 0.010 0.000 0.206 233 K C 2.073 178.706 176.600 0.056 0.000 1.049 233 K CA 1.640 57.969 56.287 0.070 0.000 0.933 233 K CB -0.313 32.235 32.500 0.081 0.000 0.717 233 K HN 0.360 nan 8.250 nan 0.000 0.442 234 L N 0.685 121.941 121.223 0.056 0.000 2.046 234 L HA -0.184 4.162 4.340 0.010 0.000 0.208 234 L C 2.337 179.268 176.870 0.102 0.000 1.077 234 L CA 1.147 56.052 54.840 0.107 0.000 0.747 234 L CB -0.424 41.735 42.059 0.167 0.000 0.896 234 L HN 0.182 nan 8.230 nan 0.000 0.432 235 I N -0.179 120.305 120.570 -0.144 0.000 2.163 235 I HA -0.307 3.868 4.170 0.010 0.000 0.240 235 I C 2.391 178.516 176.117 0.012 0.000 1.081 235 I CA 1.375 62.456 61.300 -0.365 0.000 1.353 235 I CB -0.233 37.463 38.000 -0.507 0.000 1.054 235 I HN 0.204 nan 8.210 nan 0.000 0.407 236 L N 0.156 121.403 121.223 0.040 0.000 2.201 236 L HA -0.171 4.175 4.340 0.010 0.000 0.212 236 L C 2.705 179.636 176.870 0.103 0.000 1.105 236 L CA 0.972 55.868 54.840 0.093 0.000 0.775 236 L CB -0.667 41.438 42.059 0.077 0.000 0.913 236 L HN 0.259 nan 8.230 nan 0.000 0.440 237 R N 0.522 121.077 120.500 0.092 0.000 2.096 237 R HA -0.190 4.156 4.340 0.010 0.000 0.235 237 R C 2.278 178.642 176.300 0.106 0.000 1.127 237 R CA 1.380 57.530 56.100 0.083 0.000 0.968 237 R CB -0.070 30.269 30.300 0.064 0.000 0.861 237 R HN 0.247 nan 8.270 nan 0.000 0.440 238 L N 0.343 121.661 121.223 0.158 0.000 2.084 238 L HA -0.051 4.295 4.340 0.010 0.000 0.202 238 L C 1.897 178.935 176.870 0.280 0.000 1.074 238 L CA 1.379 56.320 54.840 0.169 0.000 0.757 238 L CB 0.043 42.229 42.059 0.211 0.000 0.918 238 L HN 0.106 nan 8.230 nan 0.000 0.444 239 V N -2.015 118.092 119.914 0.321 0.000 3.647 239 V HA 0.586 4.712 4.120 0.010 0.000 0.279 239 V C 0.822 177.058 176.094 0.237 0.000 1.314 239 V CA 0.050 62.565 62.300 0.358 0.000 1.125 239 V CB -1.237 30.851 31.823 0.442 0.000 0.907 239 V HN 0.625 nan 8.190 nan 0.000 0.434 240 G N 1.120 110.027 108.800 0.178 0.000 2.733 240 G HA2 -0.068 3.898 3.960 0.010 0.000 0.686 240 G HA3 -0.068 3.898 3.960 0.010 0.000 0.686 240 G C -0.226 174.734 174.900 0.100 0.000 1.373 240 G CA -0.272 44.900 45.100 0.120 0.000 0.838 240 G HN 1.339 nan 8.290 nan 0.000 0.588 241 T N 0.269 114.858 114.554 0.059 0.000 2.813 241 T HA 0.603 4.959 4.350 0.010 0.000 0.297 241 T C -2.096 172.616 174.700 0.019 0.000 1.036 241 T CA -0.798 61.321 62.100 0.031 0.000 1.044 241 T CB 1.206 70.070 68.868 -0.006 0.000 0.993 241 T HN 0.540 nan 8.240 nan 0.000 0.535 242 P HA 0.314 nan 4.420 nan 0.000 0.268 242 P C 0.496 177.767 177.300 -0.048 0.000 1.204 242 P CA -0.083 62.988 63.100 -0.048 0.000 0.768 242 P CB 0.162 31.766 31.700 -0.160 0.000 0.842 243 G N 1.311 110.094 108.800 -0.028 0.000 2.580 243 G HA2 0.374 4.339 3.960 0.010 0.000 0.278 243 G HA3 0.374 4.339 3.960 0.010 0.000 0.278 243 G C 1.106 175.979 174.900 -0.045 0.000 1.212 243 G CA -0.060 45.024 45.100 -0.026 0.000 0.939 243 G HN 0.467 nan 8.290 nan 0.000 0.513 244 A N -0.763 122.034 122.820 -0.037 0.000 1.883 244 A HA -0.121 4.205 4.320 0.010 0.000 0.217 244 A C 2.069 179.628 177.584 -0.042 0.000 1.186 244 A CA 2.222 54.233 52.037 -0.043 0.000 0.624 244 A CB -0.690 18.291 19.000 -0.031 0.000 0.822 244 A HN 0.789 nan 8.150 nan 0.000 0.444 245 E N -0.727 119.456 120.200 -0.027 0.000 2.085 245 E HA -0.225 4.131 4.350 0.010 0.000 0.194 245 E C 1.897 178.480 176.600 -0.028 0.000 0.994 245 E CA 1.565 57.953 56.400 -0.020 0.000 0.801 245 E CB -0.194 29.503 29.700 -0.005 0.000 0.743 245 E HN 0.471 nan 8.360 nan 0.000 0.453 246 L N 0.840 122.042 121.223 -0.035 0.000 2.156 246 L HA -0.060 4.286 4.340 0.010 0.000 0.208 246 L C 2.100 178.902 176.870 -0.113 0.000 1.095 246 L CA 1.228 56.038 54.840 -0.049 0.000 0.770 246 L CB -0.345 41.693 42.059 -0.035 0.000 0.914 246 L HN 0.203 nan 8.230 nan 0.000 0.439 247 L N -0.524 120.620 121.223 -0.132 0.000 2.042 247 L HA -0.251 4.095 4.340 0.010 0.000 0.210 247 L C 2.548 179.336 176.870 -0.137 0.000 1.076 247 L CA 1.523 56.257 54.840 -0.176 0.000 0.749 247 L CB -0.508 41.464 42.059 -0.145 0.000 0.893 247 L HN 0.274 nan 8.230 nan 0.000 0.432 248 K N 0.080 120.428 120.400 -0.088 0.000 2.147 248 K HA -0.175 4.151 4.320 0.010 0.000 0.205 248 K C 1.919 178.486 176.600 -0.056 0.000 1.049 248 K CA 1.141 57.390 56.287 -0.063 0.000 0.936 248 K CB -0.079 32.397 32.500 -0.040 0.000 0.722 248 K HN 0.302 nan 8.250 nan 0.000 0.446 249 K N 0.695 121.065 120.400 -0.051 0.000 2.439 249 K HA 0.045 4.371 4.320 0.010 0.000 0.197 249 K C 0.474 177.055 176.600 -0.033 0.000 1.041 249 K CA 0.375 56.648 56.287 -0.024 0.000 0.970 249 K CB 0.089 32.591 32.500 0.005 0.000 0.773 249 K HN 0.110 nan 8.250 nan 0.000 0.479 250 I N 2.370 122.880 120.570 -0.098 0.000 2.329 250 I HA -0.064 4.112 4.170 0.010 0.000 0.295 250 I C 1.259 177.328 176.117 -0.081 0.000 1.109 250 I CA -0.184 61.042 61.300 -0.124 0.000 1.297 250 I CB 0.980 38.769 38.000 -0.351 0.000 1.433 250 I HN 0.132 nan 8.210 nan 0.000 0.509 251 S N 2.355 118.032 115.700 -0.037 0.000 2.481 251 S HA -0.084 4.391 4.470 0.010 0.000 0.231 251 S C 1.135 175.711 174.600 -0.039 0.000 0.996 251 S CA -0.089 58.086 58.200 -0.042 0.000 0.942 251 S CB -0.037 63.130 63.200 -0.053 0.000 0.768 251 S HN 0.594 nan 8.310 nan 0.000 0.520 252 S N 1.484 117.172 115.700 -0.020 0.000 2.430 252 S HA 0.183 4.659 4.470 0.010 0.000 0.282 252 S C 0.988 175.578 174.600 -0.017 0.000 1.186 252 S CA -0.580 57.619 58.200 -0.000 0.000 1.060 252 S CB 0.430 63.667 63.200 0.062 0.000 0.966 252 S HN 0.459 nan 8.310 nan 0.000 0.501 253 E N 3.296 123.486 120.200 -0.016 0.000 2.118 253 E HA -0.148 4.208 4.350 0.010 0.000 0.195 253 E C 1.988 178.584 176.600 -0.005 0.000 0.992 253 E CA 1.675 58.064 56.400 -0.020 0.000 0.804 253 E CB -0.084 29.607 29.700 -0.014 0.000 0.741 253 E HN 0.917 nan 8.360 nan 0.000 0.458 254 S N 0.603 116.312 115.700 0.014 0.000 2.355 254 S HA -0.080 4.396 4.470 0.010 0.000 0.222 254 S C 2.286 176.928 174.600 0.070 0.000 1.031 254 S CA 1.001 59.222 58.200 0.036 0.000 0.993 254 S CB -0.334 62.885 63.200 0.032 0.000 0.859 254 S HN 0.310 nan 8.310 nan 0.000 0.453 255 A N 2.396 125.264 122.820 0.079 0.000 1.908 255 A HA -0.080 4.245 4.320 0.010 0.000 0.218 255 A C 2.339 179.923 177.584 -0.001 0.000 1.181 255 A CA 1.669 53.785 52.037 0.131 0.000 0.627 255 A CB -0.791 18.344 19.000 0.225 0.000 0.818 255 A HN 0.560 nan 8.150 nan 0.000 0.445 256 R N -0.131 120.308 120.500 -0.103 0.000 2.081 256 R HA -0.159 4.187 4.340 0.010 0.000 0.235 256 R C 2.258 178.495 176.300 -0.105 0.000 1.131 256 R CA 1.629 57.622 56.100 -0.177 0.000 0.960 256 R CB -0.368 29.840 30.300 -0.154 0.000 0.856 256 R HN 0.709 nan 8.270 nan 0.000 0.436 257 N N -0.227 118.451 118.700 -0.036 0.000 2.223 257 N HA -0.233 4.513 4.740 0.010 0.000 0.185 257 N C 1.693 177.211 175.510 0.013 0.000 1.016 257 N CA 1.223 54.265 53.050 -0.014 0.000 0.863 257 N CB -0.127 38.367 38.487 0.012 0.000 0.983 257 N HN 0.303 nan 8.380 nan 0.000 0.429 258 Y N 1.822 122.101 120.300 -0.033 0.000 2.200 258 Y HA 0.006 4.562 4.550 0.009 0.000 0.290 258 Y C 2.265 178.155 175.900 -0.017 0.000 1.137 258 Y CA 1.188 59.282 58.100 -0.009 0.000 1.163 258 Y CB -0.461 38.013 38.460 0.023 0.000 0.988 258 Y HN 0.009 nan 8.280 nan 0.000 0.518 259 I N 0.308 120.717 120.570 -0.268 0.000 2.264 259 I HA -0.356 3.820 4.170 0.010 0.000 0.248 259 I C 2.123 178.058 176.117 -0.304 0.000 1.111 259 I CA 1.662 62.758 61.300 -0.339 0.000 1.382 259 I CB -0.571 37.261 38.000 -0.280 0.000 1.060 259 I HN 0.319 nan 8.210 nan 0.000 0.418 260 Q N 0.350 120.016 119.800 -0.224 0.000 2.437 260 Q HA -0.120 4.226 4.340 0.010 0.000 0.210 260 Q C 2.204 178.110 176.000 -0.157 0.000 0.972 260 Q CA 1.484 57.189 55.803 -0.163 0.000 0.903 260 Q CB -0.115 28.552 28.738 -0.118 0.000 0.967 260 Q HN 0.602 nan 8.270 nan 0.000 0.486 261 S N -0.311 115.261 115.700 -0.213 0.000 2.562 261 S HA 0.053 4.528 4.470 0.010 0.000 0.221 261 S C 0.713 175.206 174.600 -0.178 0.000 0.975 261 S CA -0.155 57.946 58.200 -0.166 0.000 0.918 261 S CB -0.071 63.045 63.200 -0.140 0.000 0.772 261 S HN 0.151 nan 8.310 nan 0.000 0.531 262 L N 2.298 123.381 121.223 -0.234 0.000 2.350 262 L HA 0.345 4.691 4.340 0.010 0.000 0.275 262 L C 0.324 177.137 176.870 -0.094 0.000 1.099 262 L CA -0.667 54.074 54.840 -0.165 0.000 0.808 262 L CB 0.808 42.752 42.059 -0.193 0.000 1.149 262 L HN -0.006 nan 8.230 nan 0.000 0.442 263 T N 2.493 117.013 114.554 -0.057 0.000 2.908 263 T HA 0.012 4.368 4.350 0.010 0.000 0.301 263 T C 0.183 174.865 174.700 -0.030 0.000 1.019 263 T CA -0.183 61.896 62.100 -0.035 0.000 1.152 263 T CB 0.140 68.997 68.868 -0.019 0.000 0.966 263 T HN 0.469 nan 8.240 nan 0.000 0.540 264 Q N 2.725 122.509 119.800 -0.027 0.000 2.364 264 Q HA 0.380 4.726 4.340 0.010 0.000 0.267 264 Q C -0.226 175.774 176.000 -0.001 0.000 0.999 264 Q CA 0.364 56.156 55.803 -0.018 0.000 0.886 264 Q CB 0.576 29.303 28.738 -0.018 0.000 1.243 264 Q HN 0.575 nan 8.270 nan 0.000 0.415 265 M N 2.944 122.550 119.600 0.011 0.000 2.501 265 M HA 0.489 4.974 4.480 0.010 0.000 0.293 265 M C -2.483 173.840 176.300 0.039 0.000 1.192 265 M CA -2.020 53.296 55.300 0.026 0.000 0.886 265 M CB 2.648 35.268 32.600 0.034 0.000 1.710 265 M HN 0.428 nan 8.290 nan 0.000 0.457 266 P HA 0.277 nan 4.420 nan 0.000 0.285 266 P C -1.565 175.786 177.300 0.085 0.000 1.269 266 P CA -0.673 62.461 63.100 0.056 0.000 0.844 266 P CB 1.130 32.857 31.700 0.045 0.000 1.094 267 K N 2.179 122.642 120.400 0.105 0.000 2.448 267 K HA 0.129 4.455 4.320 0.010 0.000 0.278 267 K C 0.261 176.963 176.600 0.169 0.000 1.009 267 K CA -0.012 56.373 56.287 0.163 0.000 0.995 267 K CB 0.057 32.649 32.500 0.153 0.000 0.917 267 K HN 0.391 nan 8.250 nan 0.000 0.481 268 M N 2.565 122.298 119.600 0.221 0.000 2.163 268 M HA 0.044 4.530 4.480 0.010 0.000 0.305 268 M C 0.600 177.068 176.300 0.279 0.000 1.166 268 M CA -0.487 54.922 55.300 0.181 0.000 1.132 268 M CB 0.442 33.101 32.600 0.098 0.000 1.413 268 M HN 0.605 nan 8.290 nan 0.000 0.478 269 N N 0.911 119.726 118.700 0.192 0.000 2.401 269 N HA 0.047 4.793 4.740 0.010 0.000 0.255 269 N C -0.060 175.635 175.510 0.307 0.000 1.110 269 N CA 0.157 53.332 53.050 0.209 0.000 0.949 269 N CB 0.366 38.918 38.487 0.109 0.000 1.110 269 N HN 0.441 nan 8.380 nan 0.000 0.490 270 F N 2.504 122.499 119.950 0.075 0.000 2.293 270 F HA -0.011 4.522 4.527 0.010 0.000 0.300 270 F C 2.256 178.156 175.800 0.166 0.000 1.086 270 F CA 0.730 58.826 58.000 0.161 0.000 1.375 270 F CB -0.818 38.323 39.000 0.236 0.000 1.045 270 F HN 0.677 nan 8.300 nan 0.000 0.516 271 A N -0.147 122.838 122.820 0.275 0.000 2.015 271 A HA -0.154 4.171 4.320 0.010 0.000 0.219 271 A C 1.977 179.618 177.584 0.095 0.000 1.163 271 A CA 1.595 53.733 52.037 0.169 0.000 0.646 271 A CB -0.537 18.529 19.000 0.109 0.000 0.806 271 A HN 0.295 nan 8.150 nan 0.000 0.448 272 N N -0.603 118.133 118.700 0.060 0.000 2.422 272 N HA 0.042 4.788 4.740 0.010 0.000 0.181 272 N C 1.359 176.810 175.510 -0.099 0.000 1.080 272 N CA 0.844 53.890 53.050 -0.007 0.000 0.893 272 N CB 0.365 38.851 38.487 -0.002 0.000 0.973 272 N HN 0.297 nan 8.380 nan 0.000 0.456 273 V N -0.285 119.519 119.914 -0.183 0.000 2.436 273 V HA 0.074 4.200 4.120 0.010 0.000 0.240 273 V C 0.320 176.060 176.094 -0.590 0.000 1.040 273 V CA 0.867 62.868 62.300 -0.498 0.000 1.052 273 V CB -0.228 31.087 31.823 -0.847 0.000 0.707 273 V HN 0.017 nan 8.190 nan 0.000 0.469 274 F N 1.134 121.028 119.950 -0.094 0.000 2.660 274 F HA 0.431 4.965 4.527 0.010 0.000 0.342 274 F C 0.517 176.294 175.800 -0.038 0.000 1.195 274 F CA -0.557 57.397 58.000 -0.077 0.000 1.300 274 F CB -0.855 38.100 39.000 -0.075 0.000 1.616 274 F HN -0.011 nan 8.300 nan 0.000 0.592 275 I N 1.531 122.123 120.570 0.037 0.000 2.741 275 I HA 0.047 4.223 4.170 0.010 0.000 0.288 275 I C 1.456 177.604 176.117 0.052 0.000 1.192 275 I CA 0.929 62.250 61.300 0.034 0.000 1.426 275 I CB -0.047 37.950 38.000 -0.006 0.000 1.367 275 I HN 0.759 nan 8.210 nan 0.000 0.563 276 G N 4.154 112.986 108.800 0.053 0.000 2.199 276 G HA2 -0.237 3.729 3.960 0.010 0.000 0.254 276 G HA3 -0.237 3.729 3.960 0.010 0.000 0.254 276 G C 0.417 175.352 174.900 0.058 0.000 0.982 276 G CA 0.020 45.149 45.100 0.048 0.000 0.632 276 G HN 0.987 nan 8.290 nan 0.000 0.529 277 A N -0.024 122.841 122.820 0.076 0.000 2.366 277 A HA 0.573 4.899 4.320 0.010 0.000 0.249 277 A C 0.743 178.356 177.584 0.048 0.000 1.084 277 A CA 0.410 52.484 52.037 0.062 0.000 0.794 277 A CB 0.225 19.256 19.000 0.052 0.000 1.034 277 A HN 0.828 nan 8.150 nan 0.000 0.491 278 N N 1.051 119.781 118.700 0.051 0.000 2.359 278 N HA 0.029 4.774 4.740 0.010 0.000 0.261 278 N C -1.811 173.712 175.510 0.021 0.000 1.267 278 N CA -1.331 51.758 53.050 0.066 0.000 0.864 278 N CB 0.749 39.328 38.487 0.155 0.000 1.063 278 N HN 0.172 nan 8.380 nan 0.000 0.474 279 P HA -0.121 nan 4.420 nan 0.000 0.217 279 P C 1.358 178.658 177.300 0.000 0.000 1.148 279 P CA 1.159 64.271 63.100 0.020 0.000 0.828 279 P CB 0.246 31.964 31.700 0.030 0.000 0.783 280 L N -1.666 119.573 121.223 0.027 0.000 2.217 280 L HA -0.066 4.280 4.340 0.010 0.000 0.211 280 L C 2.398 179.132 176.870 -0.227 0.000 1.107 280 L CA 1.175 56.053 54.840 0.063 0.000 0.783 280 L CB -0.944 41.245 42.059 0.216 0.000 0.919 280 L HN -0.039 nan 8.230 nan 0.000 0.442 281 A N -0.267 122.274 122.820 -0.466 0.000 1.929 281 A HA -0.084 4.242 4.320 0.010 0.000 0.216 281 A C 2.310 179.599 177.584 -0.492 0.000 1.176 281 A CA 1.190 52.698 52.037 -0.883 0.000 0.628 281 A CB -0.576 18.023 19.000 -0.669 0.000 0.816 281 A HN 0.153 nan 8.150 nan 0.000 0.444 282 V N 0.575 120.336 119.914 -0.255 0.000 2.295 282 V HA -0.272 3.854 4.120 0.010 0.000 0.246 282 V C 2.329 178.353 176.094 -0.116 0.000 1.049 282 V CA 2.507 64.737 62.300 -0.117 0.000 1.024 282 V CB -0.851 30.992 31.823 0.034 0.000 0.648 282 V HN 0.729 nan 8.190 nan 0.000 0.447 283 D N -0.241 120.097 120.400 -0.103 0.000 2.123 283 D HA -0.205 4.441 4.640 0.010 0.000 0.196 283 D C 1.970 178.178 176.300 -0.154 0.000 0.992 283 D CA 1.334 55.294 54.000 -0.067 0.000 0.833 283 D CB -0.124 40.716 40.800 0.066 0.000 0.954 283 D HN 0.271 nan 8.370 nan 0.000 0.455 284 L N 0.156 121.174 121.223 -0.341 0.000 2.046 284 L HA -0.040 4.306 4.340 0.010 0.000 0.208 284 L C 2.106 178.792 176.870 -0.307 0.000 1.077 284 L CA 1.441 55.970 54.840 -0.517 0.000 0.747 284 L CB -0.567 41.018 42.059 -0.791 0.000 0.896 284 L HN 0.208 nan 8.230 nan 0.000 0.432 285 L N -0.653 120.395 121.223 -0.291 0.000 2.042 285 L HA -0.244 4.102 4.340 0.010 0.000 0.210 285 L C 2.525 179.350 176.870 -0.076 0.000 1.076 285 L CA 1.633 56.369 54.840 -0.174 0.000 0.749 285 L CB -0.610 41.316 42.059 -0.222 0.000 0.893 285 L HN 0.363 nan 8.230 nan 0.000 0.432 286 E N -0.028 120.028 120.200 -0.240 0.000 2.153 286 E HA -0.228 4.127 4.350 0.010 0.000 0.194 286 E C 2.058 178.519 176.600 -0.231 0.000 0.988 286 E CA 1.016 57.105 56.400 -0.518 0.000 0.811 286 E CB 0.021 29.361 29.700 -0.599 0.000 0.746 286 E HN 0.458 nan 8.360 nan 0.000 0.466 287 K N -0.213 120.101 120.400 -0.143 0.000 2.305 287 K HA 0.057 4.383 4.320 0.010 0.000 0.199 287 K C 1.934 178.527 176.600 -0.010 0.000 1.047 287 K CA 0.632 56.885 56.287 -0.058 0.000 0.976 287 K CB 0.181 32.661 32.500 -0.033 0.000 0.765 287 K HN 0.117 nan 8.250 nan 0.000 0.474 288 M N 0.127 119.708 119.600 -0.033 0.000 2.447 288 M HA 0.034 4.520 4.480 0.010 0.000 0.266 288 M C 0.817 177.144 176.300 0.045 0.000 1.120 288 M CA 0.875 56.181 55.300 0.010 0.000 1.166 288 M CB 0.228 32.803 32.600 -0.042 0.000 1.349 288 M HN -0.027 nan 8.290 nan 0.000 0.463 289 L N 1.768 122.987 121.223 -0.008 0.000 2.873 289 L HA 0.188 4.534 4.340 0.010 0.000 0.236 289 L C -0.642 176.395 176.870 0.278 0.000 1.375 289 L CA -0.600 54.212 54.840 -0.045 0.000 1.239 289 L CB -0.571 41.462 42.059 -0.042 0.000 1.603 289 L HN -0.044 nan 8.230 nan 0.000 0.430 290 V N 0.611 120.731 119.914 0.343 0.000 2.439 290 V HA 0.054 4.179 4.120 0.010 0.000 0.282 290 V C 1.108 177.461 176.094 0.431 0.000 1.039 290 V CA -0.512 61.975 62.300 0.312 0.000 0.913 290 V CB 2.188 34.121 31.823 0.183 0.000 0.983 290 V HN 0.341 nan 8.190 nan 0.000 0.460 291 L N 2.887 124.324 121.223 0.357 0.000 2.012 291 L HA -0.035 4.311 4.340 0.010 0.000 0.210 291 L C 1.295 178.280 176.870 0.193 0.000 1.073 291 L CA 1.789 56.785 54.840 0.261 0.000 0.748 291 L CB -0.367 41.826 42.059 0.223 0.000 0.891 291 L HN 0.813 nan 8.230 nan 0.000 0.431 292 D N -1.106 119.396 120.400 0.169 0.000 2.344 292 D HA 0.008 4.653 4.640 0.010 0.000 0.253 292 D C 1.426 177.809 176.300 0.139 0.000 1.255 292 D CA 0.741 54.823 54.000 0.136 0.000 0.894 292 D CB 1.160 42.018 40.800 0.097 0.000 1.067 292 D HN 0.398 nan 8.370 nan 0.000 0.492 293 S N 2.879 118.659 115.700 0.134 0.000 2.419 293 S HA -0.210 4.266 4.470 0.010 0.000 0.235 293 S C 1.226 175.893 174.600 0.112 0.000 1.019 293 S CA 0.771 59.050 58.200 0.131 0.000 0.982 293 S CB 0.018 63.286 63.200 0.113 0.000 0.789 293 S HN 0.441 nan 8.310 nan 0.000 0.490 294 D N 1.963 122.420 120.400 0.095 0.000 2.263 294 D HA -0.015 4.631 4.640 0.010 0.000 0.208 294 D C 1.570 177.916 176.300 0.075 0.000 0.971 294 D CA 1.039 55.085 54.000 0.076 0.000 0.867 294 D CB -0.131 40.706 40.800 0.062 0.000 0.929 294 D HN 0.615 nan 8.370 nan 0.000 0.492 295 K N -0.038 120.414 120.400 0.086 0.000 2.358 295 K HA 0.162 4.488 4.320 0.010 0.000 0.197 295 K C 0.555 177.207 176.600 0.088 0.000 1.025 295 K CA -0.231 56.104 56.287 0.079 0.000 1.104 295 K CB 0.896 33.439 32.500 0.072 0.000 0.855 295 K HN -0.019 nan 8.250 nan 0.000 0.531 296 R N 1.293 121.859 120.500 0.111 0.000 2.641 296 R HA 0.179 4.525 4.340 0.010 0.000 0.269 296 R C 0.358 176.716 176.300 0.097 0.000 1.074 296 R CA -0.257 55.914 56.100 0.120 0.000 1.133 296 R CB 0.624 31.022 30.300 0.163 0.000 1.029 296 R HN 0.096 nan 8.270 nan 0.000 0.488 297 I N 1.350 121.972 120.570 0.086 0.000 2.754 297 I HA -0.027 4.148 4.170 0.010 0.000 0.285 297 I C 0.647 176.821 176.117 0.095 0.000 1.166 297 I CA 0.302 61.651 61.300 0.083 0.000 1.417 297 I CB 0.898 38.941 38.000 0.072 0.000 1.382 297 I HN 0.734 nan 8.210 nan 0.000 0.588 298 T N 3.451 118.063 114.554 0.096 0.000 2.912 298 T HA 0.499 4.855 4.350 0.010 0.000 0.280 298 T C 0.979 175.740 174.700 0.100 0.000 0.989 298 T CA -0.187 61.979 62.100 0.110 0.000 0.995 298 T CB 1.609 70.539 68.868 0.102 0.000 1.077 298 T HN 0.700 nan 8.240 nan 0.000 0.531 299 A N 0.832 123.716 122.820 0.107 0.000 1.902 299 A HA 0.189 4.515 4.320 0.010 0.000 0.217 299 A C 2.624 180.224 177.584 0.027 0.000 1.181 299 A CA 1.846 53.903 52.037 0.033 0.000 0.623 299 A CB -1.577 17.398 19.000 -0.041 0.000 0.818 299 A HN 1.245 nan 8.150 nan 0.000 0.443 300 A N -0.692 122.162 122.820 0.056 0.000 1.902 300 A HA -0.231 4.095 4.320 0.010 0.000 0.217 300 A C 2.126 179.753 177.584 0.071 0.000 1.181 300 A CA 1.821 53.896 52.037 0.063 0.000 0.623 300 A CB -0.581 18.464 19.000 0.075 0.000 0.818 300 A HN 0.641 nan 8.150 nan 0.000 0.443 301 Q N -0.722 119.126 119.800 0.080 0.000 2.079 301 Q HA 0.007 4.353 4.340 0.010 0.000 0.200 301 Q C 2.372 178.443 176.000 0.119 0.000 0.974 301 Q CA 1.337 57.195 55.803 0.091 0.000 0.840 301 Q CB -0.382 28.412 28.738 0.093 0.000 0.898 301 Q HN 0.674 nan 8.270 nan 0.000 0.430 302 A N 0.729 123.624 122.820 0.125 0.000 1.972 302 A HA -0.144 4.181 4.320 0.010 0.000 0.219 302 A C 2.006 179.756 177.584 0.275 0.000 1.169 302 A CA 1.005 53.163 52.037 0.201 0.000 0.635 302 A CB -0.626 18.469 19.000 0.159 0.000 0.810 302 A HN 0.311 nan 8.150 nan 0.000 0.446 303 L N -1.050 120.227 121.223 0.091 0.000 2.191 303 L HA -0.163 4.183 4.340 0.010 0.000 0.212 303 L C 2.657 179.399 176.870 -0.212 0.000 1.103 303 L CA 0.936 55.786 54.840 0.016 0.000 0.769 303 L CB -0.319 41.748 42.059 0.012 0.000 0.908 303 L HN 0.435 nan 8.230 nan 0.000 0.438 304 A N -2.313 120.384 122.820 -0.206 0.000 2.275 304 A HA -0.035 4.291 4.320 0.010 0.000 0.212 304 A C 0.887 178.473 177.584 0.002 0.000 1.201 304 A CA -0.148 51.693 52.037 -0.327 0.000 0.843 304 A CB -0.586 18.369 19.000 -0.075 0.000 0.873 304 A HN 0.305 nan 8.150 nan 0.000 0.492 305 H N -0.001 119.120 119.070 0.085 0.000 2.732 305 H HA 0.335 4.896 4.556 0.009 0.000 0.351 305 H C 1.437 176.828 175.328 0.105 0.000 1.090 305 H CA 0.430 56.545 56.048 0.111 0.000 1.431 305 H CB 1.277 31.127 29.762 0.148 0.000 1.447 305 H HN 0.156 nan 8.280 nan 0.000 0.582 306 A N 5.087 127.804 122.820 -0.172 0.000 1.986 306 A HA -0.280 4.046 4.320 0.010 0.000 0.220 306 A C 2.001 179.646 177.584 0.103 0.000 1.171 306 A CA 1.539 53.553 52.037 -0.038 0.000 0.640 306 A CB -1.007 17.910 19.000 -0.138 0.000 0.811 306 A HN 0.864 nan 8.150 nan 0.000 0.451 307 Y N -0.488 119.861 120.300 0.082 0.000 2.241 307 Y HA -0.201 4.354 4.550 0.009 0.000 0.286 307 Y C 0.962 176.682 175.900 -0.299 0.000 1.166 307 Y CA 1.478 59.468 58.100 -0.183 0.000 1.203 307 Y CB -0.341 37.843 38.460 -0.459 0.000 0.977 307 Y HN 0.307 nan 8.280 nan 0.000 0.529 308 F N -0.838 119.235 119.950 0.206 0.000 2.668 308 F HA 0.386 4.919 4.527 0.010 0.000 0.297 308 F C 1.927 177.780 175.800 0.088 0.000 1.124 308 F CA 0.053 58.133 58.000 0.133 0.000 1.353 308 F CB -0.947 38.217 39.000 0.273 0.000 0.992 308 F HN 0.069 nan 8.300 nan 0.000 0.524 309 A N -0.045 122.861 122.820 0.144 0.000 1.948 309 A HA -0.223 4.103 4.320 0.010 0.000 0.220 309 A C 2.234 179.811 177.584 -0.012 0.000 1.177 309 A CA 1.567 53.657 52.037 0.089 0.000 0.636 309 A CB -0.328 18.689 19.000 0.029 0.000 0.815 309 A HN 0.280 nan 8.150 nan 0.000 0.449 310 Q N -1.984 117.735 119.800 -0.135 0.000 2.369 310 Q HA -0.093 4.253 4.340 0.010 0.000 0.206 310 Q C 1.054 176.700 176.000 -0.589 0.000 0.963 310 Q CA 1.257 56.832 55.803 -0.379 0.000 0.894 310 Q CB -0.256 28.153 28.738 -0.548 0.000 0.965 310 Q HN 0.918 nan 8.270 nan 0.000 0.475 311 Y N -1.887 118.311 120.300 -0.170 0.000 2.589 311 Y HA 0.105 4.661 4.550 0.009 0.000 0.271 311 Y C 0.834 176.455 175.900 -0.465 0.000 1.107 311 Y CA -0.665 57.164 58.100 -0.452 0.000 1.273 311 Y CB -0.139 37.770 38.460 -0.917 0.000 1.266 311 Y HN 0.104 nan 8.280 nan 0.000 0.504 312 H N 1.953 120.937 119.070 -0.143 0.000 3.034 312 H HA 0.171 4.733 4.556 0.010 0.000 0.324 312 H C -0.878 174.506 175.328 0.093 0.000 1.015 312 H CA 0.329 56.436 56.048 0.099 0.000 1.429 312 H CB 0.272 30.160 29.762 0.211 0.000 1.429 312 H HN 0.081 nan 8.280 nan 0.000 0.585 313 D N 6.652 126.936 120.400 -0.194 0.000 2.375 313 D HA 0.134 4.779 4.640 0.010 0.000 0.241 313 D C -2.218 173.945 176.300 -0.229 0.000 1.361 313 D CA -1.826 52.026 54.000 -0.247 0.000 0.995 313 D CB 1.511 42.286 40.800 -0.041 0.000 1.312 313 D HN 0.376 nan 8.370 nan 0.000 0.576 314 P HA -0.041 nan 4.420 nan 0.000 0.228 314 P C 0.230 177.532 177.300 0.003 0.000 1.151 314 P CA 0.654 63.708 63.100 -0.078 0.000 0.770 314 P CB 0.604 32.282 31.700 -0.037 0.000 0.786 315 D N -0.660 119.729 120.400 -0.019 0.000 2.349 315 D HA 0.020 4.666 4.640 0.010 0.000 0.214 315 D C 0.216 176.529 176.300 0.023 0.000 1.063 315 D CA 0.527 54.533 54.000 0.009 0.000 0.847 315 D CB 0.153 40.951 40.800 -0.003 0.000 0.933 315 D HN 0.158 nan 8.370 nan 0.000 0.513 316 D N 0.619 121.041 120.400 0.037 0.000 2.952 316 D HA 0.093 4.738 4.640 0.010 0.000 0.373 316 D C -0.741 175.612 176.300 0.088 0.000 1.360 316 D CA -0.105 53.924 54.000 0.049 0.000 0.788 316 D CB 0.047 40.873 40.800 0.044 0.000 1.192 316 D HN -0.141 nan 8.370 nan 0.000 0.462 317 E N 1.524 121.788 120.200 0.107 0.000 3.626 317 E HA 0.203 4.559 4.350 0.010 0.000 0.245 317 E C -2.431 174.266 176.600 0.163 0.000 1.236 317 E CA -1.451 55.037 56.400 0.147 0.000 1.072 317 E CB 1.430 31.233 29.700 0.171 0.000 1.309 317 E HN 0.244 nan 8.360 nan 0.000 0.400 318 P HA -0.003 nan 4.420 nan 0.000 0.270 318 P C 0.076 177.575 177.300 0.333 0.000 1.223 318 P CA -0.151 63.078 63.100 0.216 0.000 0.785 318 P CB 1.035 32.836 31.700 0.169 0.000 0.923 319 V N -1.750 118.306 119.914 0.238 0.000 3.096 319 V HA 0.908 5.033 4.120 0.010 0.000 0.319 319 V C -0.060 176.060 176.094 0.043 0.000 1.103 319 V CA -1.143 61.231 62.300 0.124 0.000 1.016 319 V CB 0.988 32.836 31.823 0.043 0.000 1.090 319 V HN 0.790 nan 8.190 nan 0.000 0.449 320 A N 0.385 122.999 122.820 -0.343 0.000 2.282 320 A HA 0.694 5.020 4.320 0.010 0.000 0.324 320 A C -0.353 177.165 177.584 -0.110 0.000 1.119 320 A CA -0.756 51.024 52.037 -0.428 0.000 0.880 320 A CB 0.624 18.943 19.000 -1.135 0.000 1.294 320 A HN 0.928 nan 8.150 nan 0.000 0.493 321 D N 1.030 121.425 120.400 -0.009 0.000 2.344 321 D HA 0.352 4.997 4.640 0.010 0.000 0.244 321 D C -2.238 174.196 176.300 0.225 0.000 1.134 321 D CA -0.682 53.376 54.000 0.097 0.000 0.930 321 D CB 0.487 41.350 40.800 0.104 0.000 1.175 321 D HN 0.285 nan 8.370 nan 0.000 0.437 322 P HA 0.002 nan 4.420 nan 0.000 0.271 322 P C -0.900 176.475 177.300 0.125 0.000 1.216 322 P CA -0.137 63.032 63.100 0.115 0.000 0.776 322 P CB 0.262 32.001 31.700 0.064 0.000 0.881 323 Y N 2.648 122.825 120.300 -0.205 0.000 2.326 323 Y HA 0.247 4.802 4.550 0.008 0.000 0.337 323 Y C 0.075 175.893 175.900 -0.137 0.000 1.023 323 Y CA -0.642 57.199 58.100 -0.432 0.000 1.143 323 Y CB 0.666 38.748 38.460 -0.632 0.000 1.183 323 Y HN 0.262 nan 8.280 nan 0.000 0.485 324 D N 6.002 126.093 120.400 -0.515 0.000 2.365 324 D HA 0.047 4.693 4.640 0.010 0.000 0.237 324 D C -0.203 175.780 176.300 -0.527 0.000 1.190 324 D CA -0.103 53.684 54.000 -0.355 0.000 0.867 324 D CB 0.826 41.540 40.800 -0.143 0.000 1.050 324 D HN 0.862 nan 8.370 nan 0.000 0.491 325 Q N 1.533 121.107 119.800 -0.378 0.000 2.189 325 Q HA 0.092 4.438 4.340 0.010 0.000 0.221 325 Q C 0.978 176.792 176.000 -0.311 0.000 0.848 325 Q CA -0.362 55.232 55.803 -0.350 0.000 1.007 325 Q CB 0.183 28.801 28.738 -0.199 0.000 1.116 325 Q HN 0.292 nan 8.270 nan 0.000 0.481 326 S N 0.811 116.442 115.700 -0.115 0.000 2.440 326 S HA -0.223 4.252 4.470 0.010 0.000 0.238 326 S C 1.632 176.234 174.600 0.003 0.000 1.010 326 S CA 0.934 59.101 58.200 -0.055 0.000 0.972 326 S CB -0.927 62.277 63.200 0.006 0.000 0.774 326 S HN 0.671 nan 8.310 nan 0.000 0.501 327 F N 2.150 122.181 119.950 0.135 0.000 2.269 327 F HA 0.117 4.650 4.527 0.009 0.000 0.301 327 F C 2.044 178.034 175.800 0.318 0.000 1.082 327 F CA 0.955 59.130 58.000 0.292 0.000 1.360 327 F CB -0.643 38.678 39.000 0.537 0.000 1.041 327 F HN 0.046 nan 8.300 nan 0.000 0.512 328 E N 1.217 120.971 120.200 -0.742 0.000 2.160 328 E HA -0.186 4.169 4.350 0.010 0.000 0.195 328 E C 2.272 178.827 176.600 -0.074 0.000 0.991 328 E CA 1.582 57.705 56.400 -0.462 0.000 0.810 328 E CB -0.563 28.829 29.700 -0.513 0.000 0.742 328 E HN 0.637 nan 8.360 nan 0.000 0.466 329 S N 0.180 115.853 115.700 -0.045 0.000 2.650 329 S HA 0.083 4.559 4.470 0.010 0.000 0.219 329 S C 0.791 175.440 174.600 0.081 0.000 0.960 329 S CA -0.145 58.062 58.200 0.011 0.000 0.925 329 S CB 0.050 63.239 63.200 -0.018 0.000 0.775 329 S HN 0.026 nan 8.310 nan 0.000 0.525 330 R N 1.189 121.797 120.500 0.180 0.000 2.604 330 R HA 0.485 4.831 4.340 0.010 0.000 0.287 330 R C -1.334 175.123 176.300 0.262 0.000 0.970 330 R CA -0.639 55.565 56.100 0.172 0.000 0.946 330 R CB 0.759 31.132 30.300 0.121 0.000 1.127 330 R HN 0.229 nan 8.270 nan 0.000 0.473 331 D N 3.608 124.091 120.400 0.138 0.000 2.414 331 D HA 0.316 4.962 4.640 0.010 0.000 0.232 331 D C -0.319 175.992 176.300 0.019 0.000 1.070 331 D CA -0.150 53.952 54.000 0.170 0.000 0.839 331 D CB 1.467 42.334 40.800 0.113 0.000 1.079 331 D HN 0.206 nan 8.370 nan 0.000 0.521 332 L N 1.138 122.328 121.223 -0.055 0.000 2.279 332 L HA 0.531 4.877 4.340 0.010 0.000 0.262 332 L C 0.295 177.046 176.870 -0.198 0.000 1.019 332 L CA -1.108 53.492 54.840 -0.400 0.000 0.823 332 L CB 1.530 42.899 42.059 -1.149 0.000 1.358 332 L HN 0.040 nan 8.230 nan 0.000 0.432 333 L N 0.717 121.821 121.223 -0.198 0.000 2.456 333 L HA 0.258 4.604 4.340 0.010 0.000 0.257 333 L C 1.346 178.236 176.870 0.033 0.000 1.162 333 L CA -0.303 54.514 54.840 -0.038 0.000 0.808 333 L CB 0.688 42.713 42.059 -0.057 0.000 1.136 333 L HN 0.564 nan 8.230 nan 0.000 0.466 334 I N 0.436 121.084 120.570 0.130 0.000 2.118 334 I HA -0.321 3.855 4.170 0.010 0.000 0.241 334 I C 1.727 177.891 176.117 0.078 0.000 1.070 334 I CA 1.501 62.915 61.300 0.189 0.000 1.327 334 I CB -0.201 37.879 38.000 0.133 0.000 1.034 334 I HN 0.748 nan 8.210 nan 0.000 0.405 335 D N 0.468 120.857 120.400 -0.018 0.000 2.218 335 D HA -0.166 4.480 4.640 0.010 0.000 0.204 335 D C 2.079 178.310 176.300 -0.116 0.000 0.976 335 D CA 1.070 55.019 54.000 -0.085 0.000 0.853 335 D CB -0.180 40.572 40.800 -0.080 0.000 0.939 335 D HN 0.482 nan 8.370 nan 0.000 0.481 336 E N -0.723 119.383 120.200 -0.157 0.000 2.112 336 E HA -0.094 4.261 4.350 0.010 0.000 0.190 336 E C 2.007 178.447 176.600 -0.268 0.000 0.979 336 E CA 0.419 56.665 56.400 -0.256 0.000 0.814 336 E CB -0.110 29.364 29.700 -0.376 0.000 0.762 336 E HN 0.408 nan 8.360 nan 0.000 0.460 337 W N 1.748 122.974 121.300 -0.123 0.000 2.381 337 W HA -0.109 4.557 4.660 0.009 0.000 0.301 337 W C 2.478 178.929 176.519 -0.114 0.000 1.205 337 W CA 0.596 57.855 57.345 -0.143 0.000 1.285 337 W CB 0.115 29.575 29.460 0.001 0.000 1.133 337 W HN -0.021 nan 8.180 nan 0.000 0.521 338 K N 0.120 120.526 120.400 0.009 0.000 2.057 338 K HA -0.201 4.125 4.320 0.010 0.000 0.207 338 K C 2.277 178.824 176.600 -0.089 0.000 1.049 338 K CA 1.694 57.730 56.287 -0.419 0.000 0.931 338 K CB -0.449 31.569 32.500 -0.804 0.000 0.714 338 K HN -0.012 nan 8.250 nan 0.000 0.440 339 S N 0.594 116.260 115.700 -0.057 0.000 2.383 339 S HA -0.039 4.436 4.470 0.010 0.000 0.227 339 S C 1.944 176.588 174.600 0.074 0.000 1.026 339 S CA 0.721 58.935 58.200 0.023 0.000 0.981 339 S CB -0.174 63.005 63.200 -0.034 0.000 0.818 339 S HN 0.344 nan 8.310 nan 0.000 0.472 340 L N 0.792 122.008 121.223 -0.011 0.000 2.046 340 L HA -0.101 4.245 4.340 0.010 0.000 0.208 340 L C 2.743 179.752 176.870 0.232 0.000 1.077 340 L CA 1.621 56.444 54.840 -0.029 0.000 0.747 340 L CB -1.008 40.777 42.059 -0.457 0.000 0.896 340 L HN 0.353 nan 8.230 nan 0.000 0.432 341 T N -1.475 113.293 114.554 0.358 0.000 2.708 341 T HA -0.247 4.109 4.350 0.010 0.000 0.266 341 T C 1.701 176.658 174.700 0.428 0.000 1.037 341 T CA 1.309 63.750 62.100 0.568 0.000 1.146 341 T CB -0.395 68.938 68.868 0.775 0.000 0.865 341 T HN 0.253 nan 8.240 nan 0.000 0.435 342 Y N 2.442 122.848 120.300 0.176 0.000 2.165 342 Y HA -0.187 4.370 4.550 0.011 0.000 0.286 342 Y C 2.025 177.857 175.900 -0.113 0.000 1.155 342 Y CA 1.289 59.234 58.100 -0.258 0.000 1.164 342 Y CB -0.599 37.642 38.460 -0.365 0.000 0.978 342 Y HN 0.146 nan 8.280 nan 0.000 0.513 343 D N -0.055 120.345 120.400 -0.001 0.000 2.123 343 D HA -0.174 4.472 4.640 0.010 0.000 0.196 343 D C 2.057 178.347 176.300 -0.017 0.000 0.992 343 D CA 1.605 55.575 54.000 -0.049 0.000 0.833 343 D CB -0.183 40.644 40.800 0.045 0.000 0.954 343 D HN 0.435 nan 8.370 nan 0.000 0.455 344 E N 0.304 120.562 120.200 0.097 0.000 2.106 344 E HA -0.084 4.271 4.350 0.010 0.000 0.192 344 E C 2.426 179.086 176.600 0.099 0.000 0.984 344 E CA 0.247 56.725 56.400 0.130 0.000 0.806 344 E CB -0.237 29.578 29.700 0.193 0.000 0.750 344 E HN 0.178 nan 8.360 nan 0.000 0.458 345 V N 2.446 122.379 119.914 0.032 0.000 2.270 345 V HA -0.230 3.895 4.120 0.010 0.000 0.245 345 V C 2.538 178.611 176.094 -0.035 0.000 1.043 345 V CA 1.865 64.168 62.300 0.005 0.000 1.014 345 V CB -0.641 31.152 31.823 -0.051 0.000 0.645 345 V HN 0.334 nan 8.190 nan 0.000 0.447 346 I N 0.066 120.491 120.570 -0.241 0.000 2.676 346 I HA -0.077 4.099 4.170 0.010 0.000 0.259 346 I C 2.116 178.201 176.117 -0.053 0.000 1.194 346 I CA 1.697 62.873 61.300 -0.207 0.000 1.473 346 I CB -0.527 37.206 38.000 -0.444 0.000 1.096 346 I HN 0.385 nan 8.210 nan 0.000 0.443 347 S N 0.231 115.924 115.700 -0.011 0.000 2.575 347 S HA 0.119 4.595 4.470 0.010 0.000 0.215 347 S C 0.573 175.214 174.600 0.068 0.000 0.966 347 S CA -0.625 57.589 58.200 0.023 0.000 0.911 347 S CB -0.851 62.361 63.200 0.021 0.000 0.780 347 S HN 0.433 nan 8.310 nan 0.000 0.514 348 F N 2.934 122.887 119.950 0.004 0.000 2.608 348 F HA 0.384 4.917 4.527 0.011 0.000 0.380 348 F C -0.331 175.488 175.800 0.032 0.000 1.083 348 F CA -0.259 57.760 58.000 0.031 0.000 1.266 348 F CB 0.619 39.649 39.000 0.051 0.000 1.076 348 F HN -0.055 nan 8.300 nan 0.000 0.574 349 V N 8.103 127.442 119.914 -0.958 0.000 2.409 349 V HA 0.314 4.440 4.120 0.010 0.000 0.291 349 V C -2.049 173.454 176.094 -0.985 0.000 1.020 349 V CA -1.917 59.983 62.300 -0.667 0.000 0.848 349 V CB 1.385 33.001 31.823 -0.344 0.000 0.990 349 V HN 0.680 nan 8.190 nan 0.000 0.430 350 P HA 0.161 nan 4.420 nan 0.000 0.266 350 P C -2.539 174.685 177.300 -0.127 0.000 1.193 350 P CA -0.601 62.420 63.100 -0.132 0.000 0.770 350 P CB -0.200 31.525 31.700 0.042 0.000 0.836 351 P HA 0.174 nan 4.420 nan 0.000 0.269 351 P C -2.170 175.126 177.300 -0.007 0.000 1.209 351 P CA -0.754 62.345 63.100 -0.002 0.000 0.776 351 P CB -0.742 30.994 31.700 0.059 0.000 0.876 352 P HA 0.000 nan 4.420 nan 0.000 0.216 352 P CA 0.000 63.094 63.100 -0.011 0.000 0.800 352 P CB 0.000 31.693 31.700 -0.012 0.000 0.726