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 2nya_1_A DATA FIRST_RESID 1 DATA SEQUENCE EAIKWDKAPC RFCGTGCGVL VGTQQGRVVA CQGDPDAPVN RGLNCIKGYF DATA SEQUENCE LPKIMYGKDR LTQPLLRMKN GKYDKEGEFT PITWDQAFDV MEEKFKTALK DATA SEQUENCE EKGPESIGMF GSGQWTIWEG YAASKLFKAG FRSNNIDPNA RHCMASAVVG DATA SEQUENCE FMRTFGMDEP MGCYDDIEQA DAFVLWGANM AEMHPILWSR ITNRRLSNQN DATA SEQUENCE VTVAVLSTYQ HRSFELADNG IIFTPQSDLV ILNYIANYII QNNAINQDFF DATA SEQUENCE SKHVNLRKGA TDIGYGLRPT HPLEKAAKNP GSDASEPMSF EDYKAFVAEY DATA SEQUENCE TLEKTAEMTG VPKDQLEQLA QLYADPNKKV ISYWTMGFNQ HTRGVWANNL DATA SEQUENCE VYNLHLLTGK ISQPGCGPFS LTGQPSACGT AREVGTFAHR LPADMVVTNE DATA SEQUENCE KHRDICEKKW NIPSGTIPAK IGLHAVAQDR ALKDGKLNVY WTMCTNNMQA DATA SEQUENCE GPNINEERMP GWRDPRNFII VSDPYPTVSA LAADLILPTA MWVEKEGAYG DATA SEQUENCE NAERRTQFWR QQVQAPGEAK SDLWQLVQFS RRFKTEEVWP EDLLAKKPEL DATA SEQUENCE RGKTLYEVLY ATPEVSKFPV SELAEDQLND ESRELGFYLQ KGLFEEYAWF DATA SEQUENCE GRGHGHDLAP FDDYHKARGL RWPVVNGKET QWRYSEGNDP YVKAGEGYKF DATA SEQUENCE YGKPDGKAVI FALPFEPAAE APDEEYDLWL STGRVLEHWH TGSMTRRVPE DATA SEQUENCE LHRAFPEAVL FIHPLDAKAR DLRRGDKVKV VSRRGEVISI VETRGRNRPP DATA SEQUENCE QGLVYMPFFD AAQLVNKLTL DATDPLSKET DFKKCAVKLE K VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 E HA 0.000 nan 4.350 nan 0.000 0.291 1 E C 0.000 176.579 176.600 -0.035 0.000 1.382 1 E CA 0.000 56.380 56.400 -0.034 0.000 0.976 1 E CB 0.000 29.686 29.700 -0.023 0.000 0.812 2 A N 1.820 124.625 122.820 -0.024 0.000 2.445 2 A HA 0.408 4.726 4.320 -0.004 0.000 0.242 2 A C 0.315 177.856 177.584 -0.071 0.000 1.075 2 A CA -0.189 51.837 52.037 -0.018 0.000 0.777 2 A CB -0.090 18.921 19.000 0.018 0.000 1.013 2 A HN 0.347 nan 8.150 nan 0.000 0.493 3 I N 1.023 121.524 120.570 -0.115 0.000 2.775 3 I HA -0.024 4.144 4.170 -0.004 0.000 0.290 3 I C 0.883 176.792 176.117 -0.347 0.000 1.203 3 I CA 0.802 61.916 61.300 -0.309 0.000 1.433 3 I CB 0.391 38.089 38.000 -0.503 0.000 1.354 3 I HN 0.614 nan 8.210 nan 0.000 0.579 4 K N 6.093 126.270 120.400 -0.372 0.000 2.213 4 K HA 0.351 4.668 4.320 -0.004 0.000 0.270 4 K C -1.726 174.658 176.600 -0.361 0.000 1.002 4 K CA -0.542 55.598 56.287 -0.245 0.000 0.868 4 K CB 0.866 33.293 32.500 -0.121 0.000 1.093 4 K HN 0.366 nan 8.250 nan 0.000 0.454 5 W N 2.827 124.125 121.300 -0.003 0.000 2.529 5 W HA 0.357 5.015 4.660 -0.004 0.000 0.321 5 W C -0.329 176.192 176.519 0.004 0.000 1.047 5 W CA -0.393 56.951 57.345 -0.001 0.000 1.216 5 W CB 1.457 30.921 29.460 0.006 0.000 1.357 5 W HN 0.522 nan 8.180 nan 0.000 0.489 6 D N 1.477 122.011 120.400 0.223 0.000 2.661 6 D HA 0.243 4.881 4.640 -0.004 0.000 0.228 6 D C -0.931 175.458 176.300 0.149 0.000 1.210 6 D CA -0.871 53.221 54.000 0.153 0.000 0.826 6 D CB 1.676 42.532 40.800 0.093 0.000 1.542 6 D HN 0.358 nan 8.370 nan 0.000 0.447 7 K N 0.837 121.328 120.400 0.151 0.000 2.258 7 K HA 0.732 5.050 4.320 -0.004 0.000 0.264 7 K C -0.833 175.870 176.600 0.172 0.000 1.007 7 K CA -0.650 55.731 56.287 0.158 0.000 0.941 7 K CB 1.245 33.841 32.500 0.161 0.000 0.966 7 K HN 0.339 nan 8.250 nan 0.000 0.480 8 A N 1.872 124.787 122.820 0.158 0.000 2.599 8 A HA 0.477 4.795 4.320 -0.004 0.000 0.294 8 A C -2.958 174.728 177.584 0.170 0.000 1.055 8 A CA -1.402 50.719 52.037 0.140 0.000 0.683 8 A CB 1.565 20.463 19.000 -0.170 0.000 1.278 8 A HN 0.644 nan 8.150 nan 0.000 0.412 9 P HA 0.355 nan 4.420 nan 0.000 0.277 9 P C 0.336 177.715 177.300 0.132 0.000 1.240 9 P CA -0.325 62.893 63.100 0.196 0.000 0.798 9 P CB 0.794 32.674 31.700 0.301 0.000 0.979 10 C N 3.231 122.569 119.300 0.063 0.000 2.634 10 C HA 0.095 4.553 4.460 -0.004 0.000 0.417 10 C C 2.312 177.094 174.990 -0.346 0.000 1.334 10 C CA -0.038 58.904 59.018 -0.127 0.000 1.829 10 C CB -0.935 26.757 27.740 -0.080 0.000 2.665 10 C HN 0.643 nan 8.230 nan 0.000 0.614 11 R N 2.806 122.729 120.500 -0.962 0.000 2.280 11 R HA 0.134 4.472 4.340 -0.004 0.000 0.207 11 R C 0.461 176.070 176.300 -1.150 0.000 1.043 11 R CA 1.462 56.818 56.100 -1.240 0.000 1.006 11 R CB -0.438 28.584 30.300 -2.131 0.000 0.885 11 R HN 0.831 nan 8.270 nan 0.000 0.467 12 F N -1.280 118.241 119.950 -0.715 0.000 2.812 12 F HA 0.186 4.711 4.527 -0.003 0.000 0.156 12 F C 1.434 176.831 175.800 -0.673 0.000 1.267 12 F CA -0.341 57.016 58.000 -1.072 0.000 0.923 12 F CB -0.884 37.586 39.000 -0.883 0.000 2.108 12 F HN -0.030 nan 8.300 nan 0.000 0.583 13 C N 1.119 120.414 119.300 -0.008 0.000 2.758 13 C HA 0.358 4.816 4.460 -0.004 0.000 0.371 13 C C 1.925 177.023 174.990 0.180 0.000 1.342 13 C CA -0.324 58.842 59.018 0.247 0.000 2.257 13 C CB -0.141 27.679 27.740 0.133 0.000 2.621 13 C HN 0.872 nan 8.230 nan 0.000 0.730 14 G N 0.668 109.628 108.800 0.267 0.000 2.679 14 G HA2 0.031 3.989 3.960 -0.004 0.000 0.212 14 G HA3 0.031 3.989 3.960 -0.004 0.000 0.212 14 G C 1.207 176.310 174.900 0.339 0.000 1.137 14 G CA 0.987 46.269 45.100 0.304 0.000 0.787 14 G HN 0.903 nan 8.290 nan 0.000 0.534 15 T N 0.804 115.552 114.554 0.323 0.000 2.699 15 T HA 0.075 4.423 4.350 -0.004 0.000 0.268 15 T C 1.943 176.808 174.700 0.275 0.000 1.036 15 T CA 1.582 63.826 62.100 0.240 0.000 1.147 15 T CB -0.457 68.474 68.868 0.104 0.000 0.862 15 T HN 1.120 nan 8.240 nan 0.000 0.446 16 G N 0.780 109.705 108.800 0.208 0.000 2.289 16 G HA2 -0.262 3.695 3.960 -0.004 0.000 0.280 16 G HA3 -0.262 3.695 3.960 -0.004 0.000 0.280 16 G C 0.229 175.237 174.900 0.179 0.000 1.089 16 G CA -0.230 44.992 45.100 0.203 0.000 0.939 16 G HN 0.668 nan 8.290 nan 0.000 0.499 17 C N 0.415 119.789 119.300 0.122 0.000 2.611 17 C HA 0.485 4.943 4.460 -0.004 0.000 0.416 17 C C 1.747 176.805 174.990 0.114 0.000 1.366 17 C CA 0.367 59.445 59.018 0.100 0.000 1.761 17 C CB -0.107 27.670 27.740 0.062 0.000 2.619 17 C HN 1.036 nan 8.230 nan 0.000 0.606 18 G N 2.605 111.474 108.800 0.114 0.000 2.403 18 G HA2 0.471 4.429 3.960 -0.004 0.000 0.259 18 G HA3 0.471 4.429 3.960 -0.004 0.000 0.259 18 G C -0.685 174.278 174.900 0.105 0.000 1.244 18 G CA -0.072 45.100 45.100 0.119 0.000 0.849 18 G HN 0.689 nan 8.290 nan 0.000 0.532 19 V N 3.088 123.078 119.914 0.126 0.000 2.789 19 V HA 0.415 4.533 4.120 -0.004 0.000 0.311 19 V C -0.146 176.036 176.094 0.146 0.000 1.073 19 V CA -0.708 61.671 62.300 0.132 0.000 0.921 19 V CB 2.075 33.996 31.823 0.163 0.000 1.009 19 V HN 0.637 nan 8.190 nan 0.000 0.426 20 L N 4.717 126.033 121.223 0.154 0.000 2.264 20 L HA 0.563 4.900 4.340 -0.004 0.000 0.289 20 L C -0.544 176.548 176.870 0.369 0.000 1.044 20 L CA -0.618 54.362 54.840 0.234 0.000 0.807 20 L CB 1.581 43.740 42.059 0.167 0.000 1.192 20 L HN 0.320 nan 8.230 nan 0.000 0.425 21 V N 2.353 122.430 119.914 0.273 0.000 2.394 21 V HA 0.506 4.624 4.120 -0.004 0.000 0.282 21 V C 0.653 176.749 176.094 0.002 0.000 1.031 21 V CA -0.502 61.875 62.300 0.128 0.000 0.881 21 V CB 1.438 33.208 31.823 -0.089 0.000 0.982 21 V HN 0.861 nan 8.190 nan 0.000 0.451 22 G N 2.923 111.574 108.800 -0.249 0.000 2.335 22 G HA2 0.599 4.557 3.960 -0.004 0.000 0.314 22 G HA3 0.599 4.557 3.960 -0.004 0.000 0.314 22 G C -0.054 174.580 174.900 -0.443 0.000 1.129 22 G CA -0.266 44.359 45.100 -0.791 0.000 0.912 22 G HN 0.765 nan 8.290 nan 0.000 0.443 23 T N -0.251 114.079 114.554 -0.372 0.000 2.918 23 T HA 0.739 5.087 4.350 -0.004 0.000 0.286 23 T C -0.539 174.028 174.700 -0.222 0.000 1.026 23 T CA -0.836 61.129 62.100 -0.225 0.000 1.031 23 T CB 2.378 71.156 68.868 -0.151 0.000 1.046 23 T HN 0.563 nan 8.240 nan 0.000 0.479 24 Q N 0.870 120.576 119.800 -0.156 0.000 2.313 24 Q HA 0.265 4.603 4.340 -0.004 0.000 0.260 24 Q C -1.050 174.892 176.000 -0.096 0.000 0.972 24 Q CA -0.431 55.295 55.803 -0.129 0.000 0.886 24 Q CB 1.323 29.979 28.738 -0.137 0.000 1.373 24 Q HN 0.930 nan 8.270 nan 0.000 0.416 25 Q N 2.049 121.803 119.800 -0.077 0.000 2.468 25 Q HA -0.268 4.070 4.340 -0.004 0.000 0.289 25 Q C 0.461 176.426 176.000 -0.059 0.000 1.299 25 Q CA 1.047 56.812 55.803 -0.063 0.000 0.838 25 Q CB -1.624 27.077 28.738 -0.063 0.000 1.195 25 Q HN 1.220 nan 8.270 nan 0.000 0.456 26 G N -0.610 108.159 108.800 -0.052 0.000 2.148 26 G HA2 -0.345 3.613 3.960 -0.004 0.000 0.254 26 G HA3 -0.345 3.613 3.960 -0.004 0.000 0.254 26 G C 0.008 174.900 174.900 -0.014 0.000 0.981 26 G CA 0.580 45.661 45.100 -0.032 0.000 0.670 26 G HN 0.340 nan 8.290 nan 0.000 0.528 27 R N -1.081 119.394 120.500 -0.042 0.000 2.803 27 R HA 0.622 4.960 4.340 -0.004 0.000 0.276 27 R C -0.293 176.012 176.300 0.010 0.000 0.978 27 R CA -0.899 55.190 56.100 -0.019 0.000 0.939 27 R CB 2.270 32.452 30.300 -0.197 0.000 1.179 27 R HN 0.057 nan 8.270 nan 0.000 0.472 28 V N 3.167 123.174 119.914 0.154 0.000 2.432 28 V HA 0.063 4.180 4.120 -0.004 0.000 0.271 28 V C 0.963 177.104 176.094 0.078 0.000 1.046 28 V CA 0.006 62.358 62.300 0.087 0.000 0.945 28 V CB 1.268 33.177 31.823 0.143 0.000 0.992 28 V HN 0.773 nan 8.190 nan 0.000 0.471 29 V N 1.898 121.786 119.914 -0.044 0.000 3.604 29 V HA 0.795 4.913 4.120 -0.004 0.000 0.277 29 V C 0.495 176.559 176.094 -0.049 0.000 1.399 29 V CA 0.617 62.887 62.300 -0.050 0.000 1.034 29 V CB 0.271 32.036 31.823 -0.097 0.000 0.824 29 V HN 0.850 nan 8.190 nan 0.000 0.439 30 A N -0.941 121.827 122.820 -0.087 0.000 2.606 30 A HA 0.852 5.170 4.320 -0.004 0.000 0.293 30 A C -1.283 176.328 177.584 0.046 0.000 1.082 30 A CA 0.021 52.035 52.037 -0.039 0.000 0.685 30 A CB 1.859 20.796 19.000 -0.105 0.000 1.284 30 A HN 0.973 nan 8.150 nan 0.000 0.408 31 C N 1.011 120.407 119.300 0.159 0.000 3.113 31 C HA 0.746 5.204 4.460 -0.004 0.000 0.376 31 C C -1.746 173.358 174.990 0.189 0.000 1.077 31 C CA -0.245 58.910 59.018 0.228 0.000 1.253 31 C CB 1.318 29.152 27.740 0.158 0.000 1.637 31 C HN 0.969 nan 8.230 nan 0.000 0.535 32 Q N 2.180 122.109 119.800 0.214 0.000 2.495 32 Q HA 0.482 4.820 4.340 -0.004 0.000 0.287 32 Q C -0.011 176.025 176.000 0.059 0.000 1.078 32 Q CA -0.441 55.414 55.803 0.086 0.000 0.793 32 Q CB 1.829 30.548 28.738 -0.031 0.000 1.459 32 Q HN 1.094 nan 8.270 nan 0.000 0.422 33 G N 1.083 109.900 108.800 0.028 0.000 2.343 33 G HA2 0.048 4.006 3.960 -0.004 0.000 0.254 33 G HA3 0.048 4.006 3.960 -0.004 0.000 0.254 33 G C -0.198 174.702 174.900 0.001 0.000 1.277 33 G CA -0.003 45.111 45.100 0.024 0.000 0.909 33 G HN 0.406 nan 8.290 nan 0.000 0.502 34 D N 3.337 123.752 120.400 0.026 0.000 2.342 34 D HA 0.128 4.765 4.640 -0.004 0.000 0.260 34 D C -1.041 175.259 176.300 -0.000 0.000 1.278 34 D CA -2.059 51.948 54.000 0.012 0.000 0.910 34 D CB 1.427 42.255 40.800 0.047 0.000 1.079 34 D HN 0.037 nan 8.370 nan 0.000 0.496 35 P HA -0.144 nan 4.420 nan 0.000 0.216 35 P C 0.306 177.602 177.300 -0.007 0.000 1.154 35 P CA 1.165 64.250 63.100 -0.025 0.000 0.865 35 P CB 0.269 31.941 31.700 -0.045 0.000 0.789 36 D N -1.623 118.776 120.400 -0.001 0.000 2.339 36 D HA 0.148 4.786 4.640 -0.004 0.000 0.217 36 D C 0.610 176.924 176.300 0.025 0.000 1.050 36 D CA 0.114 54.119 54.000 0.009 0.000 0.856 36 D CB -0.212 40.591 40.800 0.006 0.000 0.922 36 D HN 0.091 nan 8.370 nan 0.000 0.518 37 A N 1.890 124.731 122.820 0.035 0.000 2.409 37 A HA 0.347 4.665 4.320 -0.004 0.000 0.267 37 A C -1.458 176.156 177.584 0.051 0.000 1.127 37 A CA -0.986 51.083 52.037 0.054 0.000 0.795 37 A CB 0.841 19.884 19.000 0.072 0.000 1.061 37 A HN -0.118 nan 8.150 nan 0.000 0.502 38 P HA -0.071 nan 4.420 nan 0.000 0.225 38 P C 1.517 178.867 177.300 0.083 0.000 1.156 38 P CA 0.450 63.582 63.100 0.054 0.000 0.787 38 P CB 0.052 31.777 31.700 0.042 0.000 0.802 39 V N 1.176 121.161 119.914 0.117 0.000 2.233 39 V HA -0.273 3.845 4.120 -0.004 0.000 0.247 39 V C 1.942 178.076 176.094 0.065 0.000 1.050 39 V CA 2.776 65.174 62.300 0.164 0.000 1.010 39 V CB -1.359 30.590 31.823 0.211 0.000 0.637 39 V HN 0.356 nan 8.190 nan 0.000 0.444 40 N N -0.822 117.905 118.700 0.046 0.000 2.239 40 N HA 0.041 4.779 4.740 -0.004 0.000 0.208 40 N C 0.909 176.424 175.510 0.008 0.000 1.200 40 N CA 0.128 53.186 53.050 0.013 0.000 0.895 40 N CB 0.093 38.591 38.487 0.019 0.000 1.085 40 N HN 0.389 nan 8.380 nan 0.000 0.500 41 R N 0.542 121.053 120.500 0.018 0.000 3.322 41 R HA -0.219 4.119 4.340 -0.004 0.000 0.253 41 R C 0.584 176.882 176.300 -0.003 0.000 0.987 41 R CA 1.103 57.208 56.100 0.008 0.000 0.666 41 R CB -2.539 27.763 30.300 0.004 0.000 1.072 41 R HN 0.646 nan 8.270 nan 0.000 0.447 42 G N -0.762 108.038 108.800 0.001 0.000 2.213 42 G HA2 -0.273 3.685 3.960 -0.004 0.000 0.226 42 G HA3 -0.273 3.685 3.960 -0.004 0.000 0.226 42 G C 0.267 175.167 174.900 -0.000 0.000 0.992 42 G CA 0.166 45.262 45.100 -0.007 0.000 0.632 42 G HN 0.289 nan 8.290 nan 0.000 0.511 43 L N 0.121 121.344 121.223 -0.000 0.000 2.479 43 L HA 0.589 4.927 4.340 -0.004 0.000 0.249 43 L C 0.588 177.464 176.870 0.011 0.000 1.178 43 L CA -0.594 54.245 54.840 -0.002 0.000 0.811 43 L CB 1.075 43.125 42.059 -0.015 0.000 1.187 43 L HN 0.335 nan 8.230 nan 0.000 0.480 44 N N -0.729 117.976 118.700 0.008 0.000 2.846 44 N HA 0.187 4.924 4.740 -0.004 0.000 0.248 44 N C -1.414 174.099 175.510 0.005 0.000 1.097 44 N CA -0.500 52.565 53.050 0.023 0.000 1.013 44 N CB 1.759 40.275 38.487 0.049 0.000 1.686 44 N HN 0.776 nan 8.380 nan 0.000 0.520 45 C N 1.492 120.796 119.300 0.005 0.000 2.423 45 C HA 0.561 5.019 4.460 -0.004 0.000 0.378 45 C C 2.183 177.159 174.990 -0.024 0.000 1.244 45 C CA -0.649 58.355 59.018 -0.023 0.000 1.978 45 C CB -0.193 27.527 27.740 -0.034 0.000 2.252 45 C HN 0.843 nan 8.230 nan 0.000 0.526 46 I N 1.330 121.865 120.570 -0.060 0.000 2.315 46 I HA -0.164 4.004 4.170 -0.004 0.000 0.251 46 I C 2.437 178.586 176.117 0.053 0.000 1.125 46 I CA 1.731 63.000 61.300 -0.052 0.000 1.392 46 I CB -0.409 37.564 38.000 -0.045 0.000 1.065 46 I HN 0.776 nan 8.210 nan 0.000 0.424 47 K N -0.423 119.965 120.400 -0.019 0.000 2.031 47 K HA -0.045 4.273 4.320 -0.004 0.000 0.205 47 K C 2.151 178.830 176.600 0.132 0.000 1.049 47 K CA 1.203 57.453 56.287 -0.061 0.000 0.939 47 K CB -0.690 31.554 32.500 -0.427 0.000 0.717 47 K HN 0.477 nan 8.250 nan 0.000 0.438 48 G N 0.560 109.425 108.800 0.109 0.000 2.440 48 G HA2 -0.317 3.641 3.960 -0.004 0.000 0.218 48 G HA3 -0.317 3.641 3.960 -0.004 0.000 0.218 48 G C 1.400 176.347 174.900 0.079 0.000 1.154 48 G CA 0.906 46.065 45.100 0.098 0.000 0.767 48 G HN 0.321 nan 8.290 nan 0.000 0.552 49 Y N 0.416 120.661 120.300 -0.091 0.000 2.193 49 Y HA -0.083 4.465 4.550 -0.003 0.000 0.285 49 Y C 1.669 177.404 175.900 -0.274 0.000 1.166 49 Y CA 1.482 59.440 58.100 -0.237 0.000 1.181 49 Y CB -0.155 38.051 38.460 -0.423 0.000 0.976 49 Y HN 0.200 nan 8.280 nan 0.000 0.520 50 F N -1.383 118.639 119.950 0.119 0.000 2.641 50 F HA 0.050 4.575 4.527 -0.004 0.000 0.302 50 F C 1.425 177.258 175.800 0.054 0.000 1.098 50 F CA -0.608 57.429 58.000 0.062 0.000 1.318 50 F CB 0.191 39.263 39.000 0.119 0.000 1.035 50 F HN 0.027 nan 8.300 nan 0.000 0.551 51 L N 1.385 122.700 121.223 0.153 0.000 2.089 51 L HA -0.166 4.172 4.340 -0.004 0.000 0.213 51 L C -0.537 176.430 176.870 0.160 0.000 1.079 51 L CA 2.061 56.920 54.840 0.032 0.000 0.758 51 L CB -1.956 40.056 42.059 -0.079 0.000 0.891 51 L HN 0.015 nan 8.230 nan 0.000 0.433 52 P HA -0.096 nan 4.420 nan 0.000 0.239 52 P C 1.106 178.590 177.300 0.306 0.000 1.184 52 P CA 1.064 64.316 63.100 0.253 0.000 0.760 52 P CB -0.012 31.797 31.700 0.181 0.000 0.884 53 K N -0.339 120.214 120.400 0.256 0.000 2.361 53 K HA 0.169 4.487 4.320 -0.004 0.000 0.194 53 K C 1.787 178.477 176.600 0.150 0.000 1.032 53 K CA 0.284 56.720 56.287 0.248 0.000 1.048 53 K CB -0.113 32.492 32.500 0.175 0.000 0.842 53 K HN 0.256 nan 8.250 nan 0.000 0.526 54 I N -2.055 118.571 120.570 0.093 0.000 2.916 54 I HA -0.090 4.078 4.170 -0.004 0.000 0.267 54 I C 1.748 177.907 176.117 0.071 0.000 1.263 54 I CA 1.214 62.560 61.300 0.078 0.000 1.471 54 I CB -0.261 37.758 38.000 0.030 0.000 1.089 54 I HN 0.011 nan 8.210 nan 0.000 0.468 55 M N -0.679 118.803 119.600 -0.196 0.000 2.414 55 M HA 0.170 4.648 4.480 -0.004 0.000 0.251 55 M C 0.392 176.473 176.300 -0.366 0.000 1.116 55 M CA 0.597 55.669 55.300 -0.380 0.000 1.056 55 M CB 0.341 32.511 32.600 -0.717 0.000 1.388 55 M HN 0.195 nan 8.290 nan 0.000 0.487 56 Y N 0.063 120.487 120.300 0.205 0.000 2.720 56 Y HA 0.410 4.957 4.550 -0.004 0.000 0.268 56 Y C 1.453 177.458 175.900 0.176 0.000 1.142 56 Y CA -1.066 57.126 58.100 0.153 0.000 1.193 56 Y CB -0.256 38.263 38.460 0.097 0.000 1.176 56 Y HN 0.097 nan 8.280 nan 0.000 0.542 57 G N 1.276 110.291 108.800 0.359 0.000 2.855 57 G HA2 -0.093 3.865 3.960 -0.004 0.000 0.248 57 G HA3 -0.093 3.865 3.960 -0.004 0.000 0.248 57 G C 0.788 175.867 174.900 0.299 0.000 1.243 57 G CA -0.223 45.045 45.100 0.280 0.000 0.881 57 G HN 0.564 nan 8.290 nan 0.000 0.598 58 K N -1.042 119.472 120.400 0.189 0.000 2.242 58 K HA 0.110 4.428 4.320 -0.004 0.000 0.200 58 K C 0.242 176.929 176.600 0.145 0.000 1.050 58 K CA 0.972 57.338 56.287 0.132 0.000 0.981 58 K CB 0.404 32.943 32.500 0.063 0.000 0.795 58 K HN 0.446 nan 8.250 nan 0.000 0.477 59 D N 0.712 121.231 120.400 0.198 0.000 2.804 59 D HA 0.084 4.722 4.640 -0.004 0.000 0.308 59 D C -0.373 176.051 176.300 0.206 0.000 1.371 59 D CA -0.582 53.516 54.000 0.163 0.000 0.823 59 D CB 0.119 40.994 40.800 0.124 0.000 1.126 59 D HN -0.167 nan 8.370 nan 0.000 0.467 60 R N 0.603 121.217 120.500 0.190 0.000 2.505 60 R HA -0.020 4.318 4.340 -0.004 0.000 0.274 60 R C 0.208 176.481 176.300 -0.044 0.000 0.955 60 R CA -0.173 55.887 56.100 -0.066 0.000 1.109 60 R CB 0.347 30.598 30.300 -0.082 0.000 0.890 60 R HN 0.237 nan 8.270 nan 0.000 0.415 61 L N 2.911 124.073 121.223 -0.100 0.000 2.416 61 L HA 0.073 4.411 4.340 -0.004 0.000 0.272 61 L C 1.749 178.586 176.870 -0.055 0.000 1.161 61 L CA 0.859 55.660 54.840 -0.065 0.000 0.845 61 L CB 0.674 42.691 42.059 -0.071 0.000 1.119 61 L HN 0.780 nan 8.230 nan 0.000 0.464 62 T N -0.605 113.925 114.554 -0.041 0.000 3.040 62 T HA 0.279 4.627 4.350 -0.004 0.000 0.266 62 T C 0.342 175.016 174.700 -0.044 0.000 1.005 62 T CA -0.271 61.814 62.100 -0.025 0.000 0.906 62 T CB 0.409 69.269 68.868 -0.012 0.000 1.082 62 T HN 0.484 nan 8.240 nan 0.000 0.531 63 Q N 0.858 120.598 119.800 -0.101 0.000 2.403 63 Q HA 0.421 4.759 4.340 -0.004 0.000 0.267 63 Q C -3.318 172.510 176.000 -0.287 0.000 0.991 63 Q CA -1.568 54.123 55.803 -0.187 0.000 0.906 63 Q CB 2.082 30.747 28.738 -0.120 0.000 1.422 63 Q HN -0.059 nan 8.270 nan 0.000 0.400 64 P HA 0.047 nan 4.420 nan 0.000 0.261 64 P C -1.125 176.027 177.300 -0.247 0.000 1.183 64 P CA 0.587 63.383 63.100 -0.506 0.000 0.761 64 P CB 0.285 31.517 31.700 -0.780 0.000 0.785 65 L N 3.930 125.064 121.223 -0.148 0.000 2.333 65 L HA 0.520 4.858 4.340 -0.004 0.000 0.280 65 L C -0.233 176.742 176.870 0.176 0.000 1.004 65 L CA -0.990 53.862 54.840 0.021 0.000 0.820 65 L CB 1.433 43.485 42.059 -0.012 0.000 1.247 65 L HN 0.210 nan 8.230 nan 0.000 0.416 66 L N 3.639 124.982 121.223 0.200 0.000 2.334 66 L HA 0.495 4.832 4.340 -0.004 0.000 0.276 66 L C 0.020 177.010 176.870 0.199 0.000 1.014 66 L CA -0.325 54.652 54.840 0.229 0.000 0.815 66 L CB 1.663 43.823 42.059 0.168 0.000 1.268 66 L HN 0.465 nan 8.230 nan 0.000 0.428 67 R N 5.231 125.801 120.500 0.118 0.000 2.421 67 R HA 0.437 4.775 4.340 -0.004 0.000 0.305 67 R C -0.801 175.497 176.300 -0.003 0.000 1.039 67 R CA 0.383 56.413 56.100 -0.116 0.000 1.003 67 R CB 0.325 30.485 30.300 -0.232 0.000 0.959 67 R HN 0.631 nan 8.270 nan 0.000 0.427 68 M N 2.247 121.806 119.600 -0.068 0.000 2.433 68 M HA 0.337 4.815 4.480 -0.004 0.000 0.290 68 M C -0.936 175.323 176.300 -0.069 0.000 1.173 68 M CA -0.676 54.603 55.300 -0.035 0.000 0.905 68 M CB 2.978 35.596 32.600 0.030 0.000 1.692 68 M HN 0.331 nan 8.290 nan 0.000 0.462 69 K N 2.919 123.278 120.400 -0.067 0.000 2.601 69 K HA 0.264 4.582 4.320 -0.004 0.000 0.249 69 K C -0.765 175.813 176.600 -0.037 0.000 0.966 69 K CA -0.431 55.818 56.287 -0.063 0.000 0.827 69 K CB 1.075 33.520 32.500 -0.092 0.000 1.178 69 K HN 0.900 nan 8.250 nan 0.000 0.437 70 N N 2.535 121.220 118.700 -0.024 0.000 2.726 70 N HA -0.270 4.468 4.740 -0.004 0.000 0.287 70 N C 0.382 175.889 175.510 -0.004 0.000 1.052 70 N CA 1.248 54.291 53.050 -0.012 0.000 0.805 70 N CB -1.181 37.299 38.487 -0.012 0.000 0.944 70 N HN 1.040 nan 8.380 nan 0.000 0.574 71 G N -0.618 108.184 108.800 0.003 0.000 2.157 71 G HA2 -0.321 3.637 3.960 -0.004 0.000 0.248 71 G HA3 -0.321 3.637 3.960 -0.004 0.000 0.248 71 G C -0.140 174.775 174.900 0.024 0.000 0.979 71 G CA 0.754 45.862 45.100 0.013 0.000 0.650 71 G HN 1.078 nan 8.290 nan 0.000 0.529 72 K N -1.597 118.819 120.400 0.027 0.000 2.579 72 K HA 0.585 4.903 4.320 -0.004 0.000 0.284 72 K C -0.463 176.180 176.600 0.072 0.000 0.990 72 K CA -1.384 54.936 56.287 0.054 0.000 0.880 72 K CB 1.284 33.805 32.500 0.036 0.000 1.488 72 K HN 0.451 nan 8.250 nan 0.000 0.425 73 Y N 1.815 122.124 120.300 0.016 0.000 2.610 73 Y HA 0.134 4.682 4.550 -0.004 0.000 0.332 73 Y C -0.652 175.264 175.900 0.026 0.000 1.201 73 Y CA 0.747 58.868 58.100 0.035 0.000 1.465 73 Y CB 0.714 39.212 38.460 0.063 0.000 1.283 73 Y HN 0.671 nan 8.280 nan 0.000 0.563 74 D N 5.558 125.409 120.400 -0.915 0.000 2.964 74 D HA 0.114 4.752 4.640 -0.004 0.000 0.234 74 D C 0.191 175.974 176.300 -0.863 0.000 1.223 74 D CA -0.545 52.961 54.000 -0.825 0.000 0.889 74 D CB 1.933 42.525 40.800 -0.347 0.000 1.609 74 D HN 0.542 nan 8.370 nan 0.000 0.523 75 K N 1.462 121.486 120.400 -0.626 0.000 2.152 75 K HA -0.119 4.198 4.320 -0.004 0.000 0.206 75 K C 1.024 177.523 176.600 -0.168 0.000 1.048 75 K CA 1.275 57.428 56.287 -0.223 0.000 0.933 75 K CB 0.224 32.703 32.500 -0.035 0.000 0.721 75 K HN 0.564 nan 8.250 nan 0.000 0.447 76 E N -0.237 119.856 120.200 -0.179 0.000 2.479 76 E HA 0.057 4.405 4.350 -0.004 0.000 0.193 76 E C 0.826 177.330 176.600 -0.160 0.000 1.049 76 E CA -0.212 56.109 56.400 -0.133 0.000 0.870 76 E CB 0.343 29.987 29.700 -0.093 0.000 0.944 76 E HN 0.217 nan 8.360 nan 0.000 0.492 77 G N 1.159 109.829 108.800 -0.217 0.000 2.631 77 G HA2 0.027 3.985 3.960 -0.004 0.000 0.271 77 G HA3 0.027 3.985 3.960 -0.004 0.000 0.271 77 G C 0.079 174.841 174.900 -0.231 0.000 1.302 77 G CA -0.412 44.568 45.100 -0.201 0.000 1.002 77 G HN -0.036 nan 8.290 nan 0.000 0.519 78 E N -0.440 119.657 120.200 -0.171 0.000 2.166 78 E HA 0.236 4.583 4.350 -0.004 0.000 0.275 78 E C -0.561 175.964 176.600 -0.124 0.000 0.941 78 E CA -0.512 55.803 56.400 -0.141 0.000 0.784 78 E CB 1.438 31.114 29.700 -0.041 0.000 1.115 78 E HN 0.295 nan 8.360 nan 0.000 0.399 79 F N 1.754 121.716 119.950 0.020 0.000 2.580 79 F HA -0.073 4.452 4.527 -0.004 0.000 0.398 79 F C 1.468 177.273 175.800 0.008 0.000 1.023 79 F CA 0.909 58.919 58.000 0.017 0.000 1.188 79 F CB 0.318 39.327 39.000 0.015 0.000 1.005 79 F HN 0.098 nan 8.300 nan 0.000 0.546 80 T N 5.192 119.856 114.554 0.182 0.000 2.916 80 T HA 0.475 4.822 4.350 -0.004 0.000 0.298 80 T C -2.966 171.774 174.700 0.066 0.000 1.031 80 T CA -2.688 59.470 62.100 0.096 0.000 0.993 80 T CB 1.786 70.686 68.868 0.053 0.000 1.045 80 T HN 0.079 nan 8.240 nan 0.000 0.454 81 P HA 0.399 nan 4.420 nan 0.000 0.267 81 P C -0.581 176.702 177.300 -0.028 0.000 1.205 81 P CA -0.246 62.842 63.100 -0.021 0.000 0.765 81 P CB 0.167 31.853 31.700 -0.023 0.000 0.828 82 I N -1.147 119.381 120.570 -0.071 0.000 3.174 82 I HA 0.675 4.843 4.170 -0.004 0.000 0.313 82 I C -0.162 175.879 176.117 -0.127 0.000 1.155 82 I CA -1.133 60.127 61.300 -0.067 0.000 0.977 82 I CB 2.361 40.332 38.000 -0.048 0.000 1.248 82 I HN 0.229 nan 8.210 nan 0.000 0.453 83 T N -1.477 113.031 114.554 -0.076 0.000 2.849 83 T HA 0.255 4.603 4.350 -0.004 0.000 0.284 83 T C 0.484 175.129 174.700 -0.092 0.000 1.004 83 T CA -0.137 61.926 62.100 -0.062 0.000 1.021 83 T CB 0.932 69.825 68.868 0.041 0.000 1.013 83 T HN 0.811 nan 8.240 nan 0.000 0.527 84 W N 0.557 121.839 121.300 -0.031 0.000 2.318 84 W HA -0.131 4.527 4.660 -0.004 0.000 0.313 84 W C 2.203 178.683 176.519 -0.065 0.000 1.221 84 W CA 1.225 58.514 57.345 -0.094 0.000 1.266 84 W CB -0.294 29.207 29.460 0.068 0.000 1.150 84 W HN 0.767 nan 8.180 nan 0.000 0.496 85 D N -0.377 120.209 120.400 0.310 0.000 2.126 85 D HA -0.246 4.392 4.640 -0.004 0.000 0.190 85 D C 1.934 178.343 176.300 0.182 0.000 1.001 85 D CA 1.819 55.972 54.000 0.255 0.000 0.841 85 D CB -0.693 40.214 40.800 0.178 0.000 0.949 85 D HN 0.362 nan 8.370 nan 0.000 0.446 86 Q N -0.106 119.752 119.800 0.097 0.000 2.123 86 Q HA 0.017 4.355 4.340 -0.004 0.000 0.199 86 Q C 2.189 178.215 176.000 0.043 0.000 0.966 86 Q CA 1.149 56.988 55.803 0.059 0.000 0.845 86 Q CB -0.042 28.712 28.738 0.026 0.000 0.907 86 Q HN 0.224 nan 8.270 nan 0.000 0.439 87 A N 0.168 122.969 122.820 -0.031 0.000 1.933 87 A HA -0.140 4.177 4.320 -0.004 0.000 0.218 87 A C 1.732 179.344 177.584 0.048 0.000 1.175 87 A CA 1.067 53.046 52.037 -0.096 0.000 0.628 87 A CB -0.702 18.089 19.000 -0.349 0.000 0.814 87 A HN 0.379 nan 8.150 nan 0.000 0.444 88 F N -0.019 120.039 119.950 0.179 0.000 2.367 88 F HA -0.111 4.414 4.527 -0.004 0.000 0.298 88 F C 2.035 177.937 175.800 0.170 0.000 1.094 88 F CA 0.335 58.468 58.000 0.222 0.000 1.409 88 F CB -0.039 39.133 39.000 0.288 0.000 1.064 88 F HN 0.186 nan 8.300 nan 0.000 0.528 89 D N 0.527 121.082 120.400 0.259 0.000 2.103 89 D HA -0.175 4.463 4.640 -0.004 0.000 0.190 89 D C 2.452 178.799 176.300 0.078 0.000 0.997 89 D CA 1.396 55.468 54.000 0.120 0.000 0.833 89 D CB -0.793 40.050 40.800 0.072 0.000 0.961 89 D HN 0.061 nan 8.370 nan 0.000 0.447 90 V N 1.055 121.001 119.914 0.054 0.000 2.255 90 V HA -0.275 3.843 4.120 -0.004 0.000 0.247 90 V C 2.620 178.687 176.094 -0.046 0.000 1.051 90 V CA 1.643 63.910 62.300 -0.055 0.000 1.018 90 V CB -0.484 31.298 31.823 -0.069 0.000 0.641 90 V HN 0.181 nan 8.190 nan 0.000 0.445 91 M N -0.495 119.181 119.600 0.126 0.000 2.108 91 M HA -0.250 4.228 4.480 -0.004 0.000 0.261 91 M C 2.285 178.879 176.300 0.490 0.000 1.066 91 M CA 2.183 57.650 55.300 0.278 0.000 1.107 91 M CB -0.565 32.068 32.600 0.055 0.000 1.356 91 M HN 0.415 nan 8.290 nan 0.000 0.406 92 E N 0.350 120.788 120.200 0.397 0.000 2.058 92 E HA -0.260 4.087 4.350 -0.004 0.000 0.194 92 E C 2.039 178.668 176.600 0.048 0.000 0.997 92 E CA 1.333 57.786 56.400 0.088 0.000 0.801 92 E CB -0.007 29.592 29.700 -0.169 0.000 0.746 92 E HN 0.397 nan 8.360 nan 0.000 0.450 93 E N 0.619 120.832 120.200 0.022 0.000 2.028 93 E HA -0.191 4.156 4.350 -0.004 0.000 0.191 93 E C 2.000 178.595 176.600 -0.009 0.000 0.988 93 E CA 0.922 57.306 56.400 -0.025 0.000 0.799 93 E CB 0.040 29.700 29.700 -0.066 0.000 0.755 93 E HN 0.067 nan 8.360 nan 0.000 0.447 94 K N 0.317 120.674 120.400 -0.072 0.000 2.015 94 K HA -0.181 4.137 4.320 -0.004 0.000 0.216 94 K C 2.294 178.938 176.600 0.072 0.000 1.052 94 K CA 1.408 57.622 56.287 -0.121 0.000 0.937 94 K CB -1.105 31.155 32.500 -0.400 0.000 0.719 94 K HN 0.219 nan 8.250 nan 0.000 0.446 95 F N 1.570 121.566 119.950 0.077 0.000 2.069 95 F HA -0.214 4.311 4.527 -0.004 0.000 0.298 95 F C 2.535 178.368 175.800 0.054 0.000 1.113 95 F CA 1.411 59.465 58.000 0.089 0.000 1.214 95 F CB -0.180 38.938 39.000 0.198 0.000 0.978 95 F HN 0.067 nan 8.300 nan 0.000 0.474 96 K N -0.509 120.065 120.400 0.289 0.000 2.152 96 K HA -0.161 4.157 4.320 -0.004 0.000 0.206 96 K C 1.929 178.573 176.600 0.074 0.000 1.048 96 K CA 1.861 58.242 56.287 0.157 0.000 0.933 96 K CB -0.438 32.097 32.500 0.059 0.000 0.721 96 K HN 0.238 nan 8.250 nan 0.000 0.447 97 T N 0.621 115.200 114.554 0.041 0.000 2.812 97 T HA -0.066 4.281 4.350 -0.004 0.000 0.264 97 T C 1.941 176.646 174.700 0.008 0.000 1.042 97 T CA 1.146 63.253 62.100 0.011 0.000 1.140 97 T CB -0.162 68.697 68.868 -0.015 0.000 0.870 97 T HN 0.305 nan 8.240 nan 0.000 0.445 98 A N 1.438 124.255 122.820 -0.005 0.000 1.883 98 A HA -0.032 4.286 4.320 -0.004 0.000 0.217 98 A C 2.258 179.844 177.584 0.004 0.000 1.186 98 A CA 1.349 53.375 52.037 -0.019 0.000 0.624 98 A CB -0.982 17.974 19.000 -0.073 0.000 0.822 98 A HN 0.463 nan 8.150 nan 0.000 0.444 99 L N -0.689 120.547 121.223 0.022 0.000 2.127 99 L HA -0.189 4.149 4.340 -0.004 0.000 0.211 99 L C 2.621 179.521 176.870 0.050 0.000 1.089 99 L CA 1.694 56.561 54.840 0.045 0.000 0.757 99 L CB -0.314 41.790 42.059 0.075 0.000 0.899 99 L HN 0.380 nan 8.230 nan 0.000 0.434 100 K N -0.028 120.398 120.400 0.043 0.000 2.155 100 K HA -0.133 4.185 4.320 -0.004 0.000 0.203 100 K C 1.739 178.357 176.600 0.029 0.000 1.052 100 K CA 1.294 57.603 56.287 0.037 0.000 0.948 100 K CB 0.243 32.760 32.500 0.029 0.000 0.728 100 K HN 0.393 nan 8.250 nan 0.000 0.448 101 E N -0.678 119.536 120.200 0.023 0.000 2.290 101 E HA 0.015 4.363 4.350 -0.004 0.000 0.197 101 E C 1.008 177.621 176.600 0.022 0.000 0.948 101 E CA 0.529 56.941 56.400 0.020 0.000 0.895 101 E CB 0.609 30.317 29.700 0.014 0.000 0.865 101 E HN 0.114 nan 8.360 nan 0.000 0.486 102 K N -0.600 119.814 120.400 0.023 0.000 2.521 102 K HA 0.265 4.583 4.320 -0.004 0.000 0.213 102 K C 0.443 177.064 176.600 0.035 0.000 1.223 102 K CA 0.344 56.646 56.287 0.026 0.000 1.013 102 K CB 2.260 34.772 32.500 0.020 0.000 1.017 102 K HN 0.163 nan 8.250 nan 0.000 0.591 103 G N 2.303 111.126 108.800 0.038 0.000 2.681 103 G HA2 -0.224 3.734 3.960 -0.004 0.000 0.220 103 G HA3 -0.224 3.734 3.960 -0.004 0.000 0.220 103 G C -2.374 172.560 174.900 0.057 0.000 1.353 103 G CA -0.491 44.641 45.100 0.053 0.000 0.872 103 G HN -0.133 nan 8.290 nan 0.000 0.557 104 P HA -0.010 nan 4.420 nan 0.000 0.217 104 P C 1.474 178.845 177.300 0.119 0.000 1.148 104 P CA 1.886 65.052 63.100 0.110 0.000 0.828 104 P CB -0.062 31.723 31.700 0.140 0.000 0.783 105 E N -0.541 119.718 120.200 0.099 0.000 2.338 105 E HA -0.094 4.254 4.350 -0.004 0.000 0.197 105 E C 1.513 178.158 176.600 0.074 0.000 1.007 105 E CA 1.225 57.681 56.400 0.094 0.000 0.849 105 E CB -0.340 29.405 29.700 0.074 0.000 0.774 105 E HN 0.349 nan 8.360 nan 0.000 0.506 106 S N -0.158 115.572 115.700 0.051 0.000 2.605 106 S HA 0.180 4.647 4.470 -0.004 0.000 0.217 106 S C 0.421 175.024 174.600 0.005 0.000 0.958 106 S CA -0.287 57.925 58.200 0.021 0.000 0.919 106 S CB 0.109 63.312 63.200 0.006 0.000 0.780 106 S HN 0.014 nan 8.310 nan 0.000 0.507 107 I N 0.843 121.441 120.570 0.046 0.000 2.545 107 I HA 0.701 4.868 4.170 -0.004 0.000 0.292 107 I C 0.062 176.349 176.117 0.283 0.000 1.040 107 I CA -0.410 60.916 61.300 0.043 0.000 1.068 107 I CB 2.150 40.095 38.000 -0.092 0.000 1.251 107 I HN 0.286 nan 8.210 nan 0.000 0.424 108 G N 5.608 114.640 108.800 0.387 0.000 2.704 108 G HA2 0.676 4.634 3.960 -0.004 0.000 0.293 108 G HA3 0.676 4.634 3.960 -0.004 0.000 0.293 108 G C -1.874 173.235 174.900 0.349 0.000 1.421 108 G CA -0.602 44.768 45.100 0.449 0.000 0.870 108 G HN 0.508 nan 8.290 nan 0.000 0.492 109 M N 1.046 120.625 119.600 -0.035 0.000 2.457 109 M HA 0.803 5.280 4.480 -0.004 0.000 0.300 109 M C -2.148 174.111 176.300 -0.068 0.000 1.141 109 M CA -0.939 54.217 55.300 -0.241 0.000 0.901 109 M CB 2.409 34.533 32.600 -0.793 0.000 1.687 109 M HN 0.386 nan 8.290 nan 0.000 0.449 110 F N 3.840 123.603 119.950 -0.312 0.000 2.382 110 F HA 0.771 5.296 4.527 -0.004 0.000 0.361 110 F C -0.059 175.538 175.800 -0.338 0.000 1.109 110 F CA -0.285 57.578 58.000 -0.228 0.000 1.031 110 F CB 1.016 39.928 39.000 -0.146 0.000 1.234 110 F HN 0.634 nan 8.300 nan 0.000 0.445 111 G N 1.972 110.247 108.800 -0.875 0.000 2.795 111 G HA2 0.575 4.533 3.960 -0.004 0.000 0.267 111 G HA3 0.575 4.533 3.960 -0.004 0.000 0.267 111 G C -1.364 172.730 174.900 -1.343 0.000 1.362 111 G CA -0.746 43.520 45.100 -1.390 0.000 1.048 111 G HN 0.631 nan 8.290 nan 0.000 0.547 112 S N -2.529 112.336 115.700 -1.392 0.000 2.536 112 S HA 0.512 4.980 4.470 -0.004 0.000 0.271 112 S C 0.857 175.259 174.600 -0.329 0.000 1.134 112 S CA 0.283 58.013 58.200 -0.783 0.000 0.897 112 S CB 1.386 64.110 63.200 -0.794 0.000 1.094 112 S HN 1.189 nan 8.310 nan 0.000 0.473 113 G N 1.552 110.264 108.800 -0.147 0.000 2.776 113 G HA2 0.036 3.994 3.960 -0.004 0.000 0.209 113 G HA3 0.036 3.994 3.960 -0.004 0.000 0.209 113 G C 0.668 175.582 174.900 0.024 0.000 1.145 113 G CA 0.248 45.352 45.100 0.007 0.000 0.791 113 G HN 0.726 nan 8.290 nan 0.000 0.530 114 Q N -1.242 118.582 119.800 0.039 0.000 2.247 114 Q HA 0.117 4.455 4.340 -0.004 0.000 0.211 114 Q C 0.195 176.428 176.000 0.389 0.000 0.861 114 Q CA -0.682 55.200 55.803 0.131 0.000 0.949 114 Q CB 0.579 29.430 28.738 0.188 0.000 1.115 114 Q HN 0.372 nan 8.270 nan 0.000 0.507 115 W N 1.303 122.710 121.300 0.179 0.000 2.126 115 W HA 0.166 4.824 4.660 -0.003 0.000 0.346 115 W C 0.767 177.437 176.519 0.251 0.000 1.279 115 W CA -0.497 56.953 57.345 0.175 0.000 1.259 115 W CB 0.576 30.058 29.460 0.036 0.000 1.133 115 W HN -0.210 nan 8.180 nan 0.000 0.592 116 T N 3.171 117.924 114.554 0.331 0.000 2.899 116 T HA 0.142 4.489 4.350 -0.004 0.000 0.295 116 T C 1.906 176.429 174.700 -0.294 0.000 1.033 116 T CA -0.454 61.578 62.100 -0.113 0.000 1.084 116 T CB 0.572 69.241 68.868 -0.331 0.000 0.979 116 T HN 0.213 nan 8.240 nan 0.000 0.532 117 I N 1.093 121.339 120.570 -0.540 0.000 2.118 117 I HA -0.274 3.894 4.170 -0.004 0.000 0.241 117 I C 2.144 178.082 176.117 -0.299 0.000 1.070 117 I CA 1.949 63.025 61.300 -0.373 0.000 1.327 117 I CB -0.408 37.407 38.000 -0.308 0.000 1.034 117 I HN 0.853 nan 8.210 nan 0.000 0.405 118 W N 1.233 122.506 121.300 -0.046 0.000 2.342 118 W HA -0.136 4.522 4.660 -0.003 0.000 0.297 118 W C 2.152 178.585 176.519 -0.144 0.000 1.213 118 W CA 0.725 58.047 57.345 -0.038 0.000 1.251 118 W CB -1.137 28.314 29.460 -0.015 0.000 1.136 118 W HN 0.068 nan 8.180 nan 0.000 0.526 119 E N 0.753 120.879 120.200 -0.123 0.000 2.051 119 E HA -0.128 4.220 4.350 -0.004 0.000 0.192 119 E C 2.676 178.823 176.600 -0.755 0.000 0.991 119 E CA 1.457 57.574 56.400 -0.471 0.000 0.799 119 E CB -0.739 28.563 29.700 -0.663 0.000 0.748 119 E HN 0.430 nan 8.360 nan 0.000 0.449 120 G N 0.344 108.849 108.800 -0.493 0.000 2.446 120 G HA2 -0.320 3.638 3.960 -0.004 0.000 0.217 120 G HA3 -0.320 3.638 3.960 -0.004 0.000 0.217 120 G C 1.400 176.185 174.900 -0.192 0.000 1.168 120 G CA 0.965 45.893 45.100 -0.286 0.000 0.771 120 G HN 0.317 nan 8.290 nan 0.000 0.551 121 Y N 1.784 121.926 120.300 -0.262 0.000 2.128 121 Y HA -0.066 4.482 4.550 -0.004 0.000 0.284 121 Y C 3.015 178.844 175.900 -0.118 0.000 1.154 121 Y CA 1.677 59.665 58.100 -0.187 0.000 1.149 121 Y CB -0.145 38.196 38.460 -0.199 0.000 0.976 121 Y HN 0.264 nan 8.280 nan 0.000 0.505 122 A N 0.319 123.056 122.820 -0.139 0.000 1.940 122 A HA -0.176 4.142 4.320 -0.004 0.000 0.219 122 A C 2.321 179.794 177.584 -0.185 0.000 1.176 122 A CA 1.807 53.754 52.037 -0.150 0.000 0.631 122 A CB -1.381 17.466 19.000 -0.255 0.000 0.814 122 A HN 0.620 nan 8.150 nan 0.000 0.446 123 A N -1.071 121.570 122.820 -0.299 0.000 1.897 123 A HA -0.036 4.282 4.320 -0.004 0.000 0.215 123 A C 2.468 180.033 177.584 -0.031 0.000 1.181 123 A CA 1.981 53.892 52.037 -0.209 0.000 0.620 123 A CB -0.911 17.809 19.000 -0.466 0.000 0.821 123 A HN 0.532 nan 8.150 nan 0.000 0.443 124 S N -0.390 115.244 115.700 -0.110 0.000 2.348 124 S HA -0.188 4.280 4.470 -0.004 0.000 0.221 124 S C 2.073 176.579 174.600 -0.156 0.000 1.033 124 S CA 1.804 59.976 58.200 -0.046 0.000 1.010 124 S CB -0.325 62.855 63.200 -0.034 0.000 0.891 124 S HN 0.574 nan 8.310 nan 0.000 0.442 125 K N 0.755 120.889 120.400 -0.443 0.000 2.044 125 K HA -0.087 4.230 4.320 -0.004 0.000 0.210 125 K C 2.160 178.493 176.600 -0.445 0.000 1.049 125 K CA 1.452 57.307 56.287 -0.720 0.000 0.927 125 K CB -0.504 31.379 32.500 -1.028 0.000 0.713 125 K HN 0.363 nan 8.250 nan 0.000 0.443 126 L N 0.072 121.140 121.223 -0.258 0.000 1.990 126 L HA -0.239 4.099 4.340 -0.004 0.000 0.213 126 L C 2.238 178.841 176.870 -0.446 0.000 1.072 126 L CA 1.796 56.425 54.840 -0.352 0.000 0.755 126 L CB -0.243 41.745 42.059 -0.119 0.000 0.889 126 L HN 0.155 nan 8.230 nan 0.000 0.432 127 F N -0.005 119.878 119.950 -0.112 0.000 2.118 127 F HA -0.158 4.367 4.527 -0.003 0.000 0.293 127 F C 2.599 178.450 175.800 0.085 0.000 1.102 127 F CA 1.357 59.429 58.000 0.120 0.000 1.247 127 F CB -0.094 39.035 39.000 0.216 0.000 1.017 127 F HN -0.074 nan 8.300 nan 0.000 0.475 128 K N -0.224 120.272 120.400 0.160 0.000 2.044 128 K HA 0.012 4.330 4.320 -0.004 0.000 0.204 128 K C 2.074 178.716 176.600 0.069 0.000 1.049 128 K CA 1.227 57.597 56.287 0.140 0.000 0.945 128 K CB -0.329 32.276 32.500 0.175 0.000 0.724 128 K HN 0.185 nan 8.250 nan 0.000 0.440 129 A N 0.464 123.247 122.820 -0.061 0.000 2.095 129 A HA 0.157 4.474 4.320 -0.004 0.000 0.212 129 A C 2.030 179.635 177.584 0.035 0.000 1.162 129 A CA 1.072 53.075 52.037 -0.056 0.000 0.753 129 A CB -0.175 18.658 19.000 -0.278 0.000 0.840 129 A HN 0.369 nan 8.150 nan 0.000 0.468 130 G N -1.243 107.482 108.800 -0.125 0.000 2.688 130 G HA2 0.142 4.100 3.960 -0.004 0.000 0.214 130 G HA3 0.142 4.100 3.960 -0.004 0.000 0.214 130 G C 1.189 176.043 174.900 -0.077 0.000 1.211 130 G CA 0.435 45.408 45.100 -0.213 0.000 0.853 130 G HN 0.385 nan 8.290 nan 0.000 0.591 131 F N 0.689 120.561 119.950 -0.129 0.000 2.558 131 F HA 0.216 4.741 4.527 -0.004 0.000 0.298 131 F C 1.204 177.026 175.800 0.037 0.000 1.119 131 F CA 0.119 58.048 58.000 -0.119 0.000 1.451 131 F CB 0.190 39.009 39.000 -0.302 0.000 1.091 131 F HN -0.025 nan 8.300 nan 0.000 0.563 132 R N 0.439 121.077 120.500 0.229 0.000 3.423 132 R HA -0.176 4.162 4.340 -0.004 0.000 0.271 132 R C -0.272 176.152 176.300 0.206 0.000 1.093 132 R CA 0.524 56.734 56.100 0.184 0.000 0.730 132 R CB -2.411 27.983 30.300 0.158 0.000 1.190 132 R HN 0.209 nan 8.270 nan 0.000 0.437 133 S N -0.354 115.510 115.700 0.272 0.000 2.500 133 S HA 0.437 4.904 4.470 -0.004 0.000 0.301 133 S C 0.543 175.350 174.600 0.345 0.000 1.092 133 S CA -0.947 57.436 58.200 0.306 0.000 1.030 133 S CB 1.327 64.752 63.200 0.376 0.000 1.031 133 S HN 0.256 nan 8.310 nan 0.000 0.483 134 N N 3.392 122.255 118.700 0.272 0.000 2.314 134 N HA 0.102 4.840 4.740 -0.004 0.000 0.200 134 N C -0.186 175.477 175.510 0.255 0.000 1.135 134 N CA 0.083 53.287 53.050 0.256 0.000 0.835 134 N CB -0.259 38.355 38.487 0.212 0.000 0.989 134 N HN 0.677 nan 8.380 nan 0.000 0.478 135 N N 0.812 119.684 118.700 0.287 0.000 2.683 135 N HA 0.073 4.811 4.740 -0.004 0.000 0.256 135 N C -0.349 175.263 175.510 0.170 0.000 1.270 135 N CA 0.016 53.211 53.050 0.242 0.000 0.954 135 N CB 0.349 38.990 38.487 0.256 0.000 1.289 135 N HN 0.257 nan 8.380 nan 0.000 0.508 136 I N 0.124 120.765 120.570 0.119 0.000 2.339 136 I HA 0.267 4.434 4.170 -0.004 0.000 0.290 136 I C -1.085 175.052 176.117 0.033 0.000 0.994 136 I CA -0.410 60.875 61.300 -0.024 0.000 1.191 136 I CB 1.060 39.012 38.000 -0.080 0.000 1.343 136 I HN -0.020 nan 8.210 nan 0.000 0.458 137 D N 8.617 129.002 120.400 -0.025 0.000 2.661 137 D HA 0.583 5.221 4.640 -0.004 0.000 0.228 137 D C -2.905 173.133 176.300 -0.436 0.000 1.210 137 D CA -1.063 52.878 54.000 -0.099 0.000 0.826 137 D CB 3.117 44.007 40.800 0.150 0.000 1.542 137 D HN 0.157 nan 8.370 nan 0.000 0.447 138 P HA 0.330 nan 4.420 nan 0.000 0.288 138 P C 0.320 177.080 177.300 -0.900 0.000 1.300 138 P CA -0.453 62.082 63.100 -0.942 0.000 0.910 138 P CB 1.327 32.541 31.700 -0.810 0.000 1.256 139 N N 1.005 119.120 118.700 -0.975 0.000 2.213 139 N HA -0.309 4.429 4.740 -0.004 0.000 0.173 139 N C 1.639 177.064 175.510 -0.141 0.000 0.793 139 N CA 2.858 55.703 53.050 -0.341 0.000 0.896 139 N CB -1.254 37.069 38.487 -0.274 0.000 1.007 139 N HN 0.567 nan 8.380 nan 0.000 0.988 140 A N -0.394 122.332 122.820 -0.158 0.000 2.216 140 A HA -0.021 4.297 4.320 -0.004 0.000 0.214 140 A C 2.151 179.871 177.584 0.226 0.000 1.160 140 A CA 1.230 53.312 52.037 0.075 0.000 0.725 140 A CB -0.341 18.744 19.000 0.141 0.000 0.784 140 A HN 0.354 nan 8.150 nan 0.000 0.472 141 R N -0.666 119.902 120.500 0.113 0.000 2.235 141 R HA -0.053 4.285 4.340 -0.004 0.000 0.213 141 R C 1.069 177.497 176.300 0.213 0.000 1.059 141 R CA 1.281 57.517 56.100 0.226 0.000 0.997 141 R CB -0.490 29.894 30.300 0.139 0.000 0.884 141 R HN 0.753 nan 8.270 nan 0.000 0.462 142 H N -2.534 116.698 119.070 0.271 0.000 2.533 142 H HA 0.124 4.678 4.556 -0.003 0.000 0.271 142 H C 1.055 176.545 175.328 0.271 0.000 1.000 142 H CA 0.170 56.407 56.048 0.315 0.000 1.149 142 H CB 0.486 30.409 29.762 0.269 0.000 1.375 142 H HN 0.253 nan 8.280 nan 0.000 0.582 143 C N -0.810 118.689 119.300 0.331 0.000 3.071 143 C HA 0.126 4.584 4.460 -0.004 0.000 0.408 143 C C 1.189 176.351 174.990 0.286 0.000 1.708 143 C CA -0.098 59.084 59.018 0.273 0.000 2.195 143 C CB 0.005 27.872 27.740 0.211 0.000 2.436 143 C HN 0.328 nan 8.230 nan 0.000 0.572 144 M N 1.538 121.315 119.600 0.295 0.000 2.337 144 M HA 0.319 4.797 4.480 -0.004 0.000 0.256 144 M C 1.989 178.456 176.300 0.279 0.000 1.075 144 M CA 0.978 56.459 55.300 0.302 0.000 1.024 144 M CB -1.298 31.482 32.600 0.301 0.000 1.429 144 M HN 0.506 nan 8.290 nan 0.000 0.497 145 A N 0.628 123.605 122.820 0.262 0.000 1.927 145 A HA -0.177 4.140 4.320 -0.004 0.000 0.220 145 A C 2.474 180.138 177.584 0.132 0.000 1.185 145 A CA 2.472 54.609 52.037 0.167 0.000 0.639 145 A CB -0.762 18.344 19.000 0.178 0.000 0.820 145 A HN 0.459 nan 8.150 nan 0.000 0.451 146 S N -0.656 115.140 115.700 0.160 0.000 2.383 146 S HA 0.053 4.521 4.470 -0.004 0.000 0.227 146 S C 2.264 176.972 174.600 0.180 0.000 1.026 146 S CA 1.051 59.326 58.200 0.124 0.000 0.981 146 S CB -0.371 62.901 63.200 0.120 0.000 0.818 146 S HN 0.819 nan 8.310 nan 0.000 0.472 147 A N 0.976 123.973 122.820 0.294 0.000 1.929 147 A HA 0.026 4.344 4.320 -0.004 0.000 0.216 147 A C 2.282 180.139 177.584 0.456 0.000 1.176 147 A CA 1.091 53.365 52.037 0.394 0.000 0.628 147 A CB -0.696 18.614 19.000 0.518 0.000 0.816 147 A HN 0.331 nan 8.150 nan 0.000 0.444 148 V N -0.325 119.830 119.914 0.401 0.000 2.270 148 V HA -0.222 3.895 4.120 -0.004 0.000 0.245 148 V C 2.558 178.812 176.094 0.267 0.000 1.043 148 V CA 2.004 64.522 62.300 0.364 0.000 1.014 148 V CB -0.874 31.043 31.823 0.155 0.000 0.645 148 V HN 0.349 nan 8.190 nan 0.000 0.447 149 V N 1.074 121.076 119.914 0.147 0.000 2.469 149 V HA -0.230 3.888 4.120 -0.004 0.000 0.251 149 V C 2.580 178.720 176.094 0.077 0.000 1.064 149 V CA 2.199 64.546 62.300 0.080 0.000 1.066 149 V CB -1.459 30.365 31.823 0.002 0.000 0.667 149 V HN 0.634 nan 8.190 nan 0.000 0.461 150 G N -1.025 107.838 108.800 0.105 0.000 2.404 150 G HA2 -0.217 3.741 3.960 -0.004 0.000 0.215 150 G HA3 -0.217 3.741 3.960 -0.004 0.000 0.215 150 G C 1.516 176.478 174.900 0.105 0.000 1.174 150 G CA 0.676 45.812 45.100 0.059 0.000 0.780 150 G HN 0.464 nan 8.290 nan 0.000 0.537 151 F N 0.370 120.464 119.950 0.240 0.000 2.095 151 F HA -0.110 4.415 4.527 -0.004 0.000 0.298 151 F C 2.962 178.868 175.800 0.178 0.000 1.104 151 F CA 1.092 59.246 58.000 0.256 0.000 1.232 151 F CB -0.077 39.069 39.000 0.244 0.000 0.987 151 F HN 0.007 nan 8.300 nan 0.000 0.475 152 M N -0.213 119.573 119.600 0.311 0.000 2.117 152 M HA -0.160 4.318 4.480 -0.004 0.000 0.262 152 M C 2.099 178.465 176.300 0.111 0.000 1.065 152 M CA 1.611 57.026 55.300 0.192 0.000 1.114 152 M CB -1.264 31.425 32.600 0.147 0.000 1.361 152 M HN 0.076 nan 8.290 nan 0.000 0.408 153 R N -0.676 119.848 120.500 0.039 0.000 2.062 153 R HA -0.068 4.270 4.340 -0.004 0.000 0.231 153 R C 2.250 178.600 176.300 0.084 0.000 1.136 153 R CA 1.981 58.066 56.100 -0.024 0.000 0.948 153 R CB -0.662 29.422 30.300 -0.360 0.000 0.845 153 R HN 0.351 nan 8.270 nan 0.000 0.430 154 T N -0.333 114.182 114.554 -0.065 0.000 2.857 154 T HA -0.007 4.341 4.350 -0.004 0.000 0.266 154 T C 1.120 175.367 174.700 -0.755 0.000 1.048 154 T CA 1.185 63.042 62.100 -0.405 0.000 1.139 154 T CB -0.005 68.381 68.868 -0.803 0.000 0.874 154 T HN 0.127 nan 8.240 nan 0.000 0.455 155 F N -0.427 119.479 119.950 -0.073 0.000 2.778 155 F HA 0.431 4.956 4.527 -0.004 0.000 0.314 155 F C 1.939 177.705 175.800 -0.057 0.000 1.073 155 F CA -0.026 57.906 58.000 -0.113 0.000 1.218 155 F CB 0.321 39.288 39.000 -0.054 0.000 1.037 155 F HN 0.233 nan 8.300 nan 0.000 0.594 156 G N 1.087 109.995 108.800 0.179 0.000 2.162 156 G HA2 -0.276 3.682 3.960 -0.004 0.000 0.260 156 G HA3 -0.276 3.682 3.960 -0.004 0.000 0.260 156 G C 0.083 175.079 174.900 0.159 0.000 0.976 156 G CA 0.410 45.593 45.100 0.139 0.000 0.655 156 G HN 0.240 nan 8.290 nan 0.000 0.533 157 M N -0.381 119.345 119.600 0.209 0.000 2.520 157 M HA 0.370 4.848 4.480 -0.004 0.000 0.283 157 M C -1.085 175.327 176.300 0.187 0.000 1.237 157 M CA -0.901 54.516 55.300 0.195 0.000 0.885 157 M CB 1.917 34.584 32.600 0.112 0.000 1.727 157 M HN 0.048 nan 8.290 nan 0.000 0.468 158 D N 1.473 121.960 120.400 0.145 0.000 2.358 158 D HA 0.354 4.992 4.640 -0.004 0.000 0.244 158 D C -0.568 175.468 176.300 -0.439 0.000 1.163 158 D CA 1.203 55.154 54.000 -0.082 0.000 0.945 158 D CB 0.765 41.592 40.800 0.045 0.000 1.152 158 D HN 0.569 nan 8.370 nan 0.000 0.451 159 E N -0.789 118.630 120.200 -1.302 0.000 8.389 159 E HA -0.123 4.225 4.350 -0.004 0.000 0.468 159 E C -2.508 173.470 176.600 -1.037 0.000 0.993 159 E CA -0.505 55.251 56.400 -1.074 0.000 1.743 159 E CB -0.722 28.821 29.700 -0.261 0.000 0.996 159 E HN 0.294 nan 8.360 nan 0.000 0.262 160 P HA -0.057 nan 4.420 nan 0.000 0.268 160 P C 0.553 177.657 177.300 -0.326 0.000 1.208 160 P CA 0.202 63.089 63.100 -0.356 0.000 0.777 160 P CB 0.333 31.517 31.700 -0.859 0.000 0.875 161 M N 0.022 119.538 119.600 -0.140 0.000 2.356 161 M HA 0.355 4.833 4.480 -0.004 0.000 0.262 161 M C 0.345 176.670 176.300 0.042 0.000 1.097 161 M CA 0.319 55.519 55.300 -0.167 0.000 0.991 161 M CB -0.636 31.898 32.600 -0.110 0.000 1.450 161 M HN 0.209 nan 8.290 nan 0.000 0.495 162 G N 0.996 109.886 108.800 0.149 0.000 3.107 162 G HA2 0.725 4.683 3.960 -0.004 0.000 0.232 162 G HA3 0.725 4.683 3.960 -0.004 0.000 0.232 162 G C -0.880 174.076 174.900 0.093 0.000 1.339 162 G CA 0.033 45.294 45.100 0.270 0.000 1.033 162 G HN 0.763 nan 8.290 nan 0.000 0.567 163 C N -3.991 115.334 119.300 0.042 0.000 3.295 163 C HA 0.516 4.973 4.460 -0.004 0.000 0.341 163 C C 0.830 175.748 174.990 -0.121 0.000 1.418 163 C CA -0.992 57.919 59.018 -0.177 0.000 1.240 163 C CB -0.233 27.235 27.740 -0.453 0.000 1.562 163 C HN 0.819 nan 8.230 nan 0.000 0.457 164 Y N 0.382 120.576 120.300 -0.176 0.000 2.421 164 Y HA -0.100 4.448 4.550 -0.003 0.000 0.292 164 Y C 1.682 177.565 175.900 -0.027 0.000 1.136 164 Y CA 1.232 59.242 58.100 -0.149 0.000 1.255 164 Y CB -0.142 38.250 38.460 -0.113 0.000 0.991 164 Y HN 0.692 nan 8.280 nan 0.000 0.552 165 D N 0.045 120.527 120.400 0.135 0.000 2.384 165 D HA -0.149 4.489 4.640 -0.004 0.000 0.222 165 D C 1.187 177.640 176.300 0.254 0.000 0.976 165 D CA 0.967 55.067 54.000 0.166 0.000 0.915 165 D CB -0.333 40.543 40.800 0.127 0.000 0.896 165 D HN 0.390 nan 8.370 nan 0.000 0.523 166 D N -0.170 120.392 120.400 0.271 0.000 2.277 166 D HA -0.014 4.624 4.640 -0.004 0.000 0.208 166 D C 2.171 178.606 176.300 0.225 0.000 0.962 166 D CA 0.164 54.329 54.000 0.275 0.000 0.865 166 D CB 0.143 41.103 40.800 0.267 0.000 0.939 166 D HN 0.306 nan 8.370 nan 0.000 0.510 167 I N 1.911 122.640 120.570 0.266 0.000 2.099 167 I HA -0.234 3.934 4.170 -0.004 0.000 0.239 167 I C 1.864 178.163 176.117 0.303 0.000 1.066 167 I CA 1.152 62.672 61.300 0.365 0.000 1.324 167 I CB -0.276 37.851 38.000 0.211 0.000 1.037 167 I HN -0.024 nan 8.210 nan 0.000 0.401 168 E N 1.020 121.327 120.200 0.179 0.000 2.438 168 E HA -0.145 4.203 4.350 -0.004 0.000 0.192 168 E C 1.013 177.676 176.600 0.104 0.000 1.110 168 E CA 0.464 56.941 56.400 0.128 0.000 0.893 168 E CB -0.085 29.663 29.700 0.080 0.000 0.990 168 E HN 0.617 nan 8.360 nan 0.000 0.490 169 Q N -0.186 119.677 119.800 0.106 0.000 2.140 169 Q HA 0.304 4.642 4.340 -0.004 0.000 0.227 169 Q C -0.062 175.926 176.000 -0.021 0.000 0.798 169 Q CA -0.044 55.786 55.803 0.046 0.000 0.987 169 Q CB 1.323 30.093 28.738 0.054 0.000 1.161 169 Q HN 0.272 nan 8.270 nan 0.000 0.480 170 A N 0.339 123.118 122.820 -0.068 0.000 2.340 170 A HA 0.191 4.509 4.320 -0.004 0.000 0.268 170 A C 0.059 177.475 177.584 -0.280 0.000 1.100 170 A CA -0.275 51.593 52.037 -0.282 0.000 0.803 170 A CB 0.432 19.004 19.000 -0.714 0.000 1.043 170 A HN 0.163 nan 8.150 nan 0.000 0.488 171 D N 0.351 120.586 120.400 -0.275 0.000 2.277 171 D HA 0.295 4.933 4.640 -0.004 0.000 0.209 171 D C 0.580 176.730 176.300 -0.250 0.000 0.970 171 D CA 1.636 55.519 54.000 -0.195 0.000 0.874 171 D CB 0.275 40.992 40.800 -0.137 0.000 0.982 171 D HN 0.675 nan 8.370 nan 0.000 0.504 172 A N 0.054 122.628 122.820 -0.410 0.000 2.486 172 A HA 0.615 4.933 4.320 -0.004 0.000 0.300 172 A C -1.651 175.594 177.584 -0.566 0.000 1.048 172 A CA -0.614 51.209 52.037 -0.356 0.000 0.696 172 A CB 1.155 20.007 19.000 -0.247 0.000 1.278 172 A HN -0.052 nan 8.150 nan 0.000 0.405 173 F N 1.136 121.058 119.950 -0.047 0.000 2.493 173 F HA 0.583 5.108 4.527 -0.003 0.000 0.329 173 F C -0.108 175.682 175.800 -0.017 0.000 1.126 173 F CA -0.739 57.262 58.000 0.002 0.000 0.937 173 F CB 2.476 41.528 39.000 0.086 0.000 1.146 173 F HN 0.279 nan 8.300 nan 0.000 0.442 174 V N 5.030 125.034 119.914 0.150 0.000 2.444 174 V HA 0.415 4.533 4.120 -0.004 0.000 0.294 174 V C -0.365 175.783 176.094 0.091 0.000 1.022 174 V CA -0.758 61.546 62.300 0.007 0.000 0.850 174 V CB 1.789 33.568 31.823 -0.073 0.000 0.992 174 V HN 0.536 nan 8.190 nan 0.000 0.426 175 L N 4.040 125.267 121.223 0.007 0.000 2.272 175 L HA 0.424 4.762 4.340 -0.004 0.000 0.289 175 L C -0.555 176.278 176.870 -0.062 0.000 1.032 175 L CA -0.257 54.648 54.840 0.109 0.000 0.810 175 L CB 1.334 43.454 42.059 0.103 0.000 1.205 175 L HN 0.727 nan 8.230 nan 0.000 0.422 176 W N 3.616 124.928 121.300 0.020 0.000 2.269 176 W HA 0.397 5.055 4.660 -0.003 0.000 0.402 176 W C 1.221 177.664 176.519 -0.126 0.000 0.654 176 W CA 0.136 57.366 57.345 -0.192 0.000 2.299 176 W CB 0.592 29.625 29.460 -0.713 0.000 1.621 176 W HN 0.890 nan 8.180 nan 0.000 0.677 177 G N -0.171 108.752 108.800 0.206 0.000 2.184 177 G HA2 -0.121 3.837 3.960 -0.004 0.000 0.206 177 G HA3 -0.121 3.837 3.960 -0.004 0.000 0.206 177 G C 0.334 175.321 174.900 0.145 0.000 0.995 177 G CA -0.477 44.768 45.100 0.242 0.000 0.651 177 G HN 0.515 nan 8.290 nan 0.000 0.511 178 A N 0.450 123.339 122.820 0.114 0.000 2.484 178 A HA 0.535 4.853 4.320 -0.004 0.000 0.268 178 A C 0.559 178.065 177.584 -0.130 0.000 1.114 178 A CA 0.682 52.746 52.037 0.045 0.000 0.780 178 A CB -0.124 18.923 19.000 0.079 0.000 1.061 178 A HN 0.623 nan 8.150 nan 0.000 0.505 179 N N 3.286 121.821 118.700 -0.274 0.000 3.124 179 N HA 0.190 4.928 4.740 -0.004 0.000 0.284 179 N C 0.960 176.170 175.510 -0.499 0.000 1.209 179 N CA -0.290 52.368 53.050 -0.653 0.000 1.149 179 N CB -0.089 37.921 38.487 -0.794 0.000 1.434 179 N HN 0.773 nan 8.380 nan 0.000 0.529 180 M N 0.614 119.903 119.600 -0.518 0.000 2.296 180 M HA -0.093 4.385 4.480 -0.004 0.000 0.265 180 M C 2.259 178.206 176.300 -0.587 0.000 1.064 180 M CA 0.883 55.941 55.300 -0.403 0.000 1.109 180 M CB -0.019 32.407 32.600 -0.289 0.000 1.396 180 M HN 0.541 nan 8.290 nan 0.000 0.430 181 A N 0.476 122.600 122.820 -1.160 0.000 1.978 181 A HA -0.183 4.135 4.320 -0.004 0.000 0.220 181 A C 1.922 179.266 177.584 -0.400 0.000 1.170 181 A CA 1.755 53.164 52.037 -1.046 0.000 0.636 181 A CB -0.422 17.983 19.000 -0.992 0.000 0.810 181 A HN 0.569 nan 8.150 nan 0.000 0.448 182 E N -1.690 118.291 120.200 -0.366 0.000 2.290 182 E HA 0.064 4.412 4.350 -0.004 0.000 0.197 182 E C 1.343 177.820 176.600 -0.204 0.000 0.948 182 E CA 0.387 56.650 56.400 -0.229 0.000 0.895 182 E CB 0.029 29.605 29.700 -0.208 0.000 0.865 182 E HN 0.505 nan 8.360 nan 0.000 0.486 183 M N -0.334 119.125 119.600 -0.235 0.000 2.414 183 M HA 0.160 4.638 4.480 -0.004 0.000 0.251 183 M C 0.161 176.160 176.300 -0.501 0.000 1.116 183 M CA 0.853 55.978 55.300 -0.291 0.000 1.056 183 M CB -0.314 32.135 32.600 -0.250 0.000 1.388 183 M HN 0.029 nan 8.290 nan 0.000 0.487 184 H N -1.087 117.917 119.070 -0.111 0.000 2.779 184 H HA 0.243 4.797 4.556 -0.004 0.000 0.230 184 H C -1.886 173.396 175.328 -0.077 0.000 1.365 184 H CA -1.020 54.971 56.048 -0.095 0.000 1.086 184 H CB 0.340 30.018 29.762 -0.141 0.000 2.038 184 H HN -0.008 nan 8.280 nan 0.000 0.558 185 P HA -0.201 nan 4.420 nan 0.000 0.217 185 P C 1.246 178.583 177.300 0.061 0.000 1.151 185 P CA 1.162 64.291 63.100 0.048 0.000 0.849 185 P CB 0.386 32.085 31.700 -0.002 0.000 0.787 186 I N -1.629 118.942 120.570 0.001 0.000 2.286 186 I HA -0.172 3.996 4.170 -0.004 0.000 0.245 186 I C 2.280 178.335 176.117 -0.104 0.000 1.104 186 I CA 1.200 62.473 61.300 -0.045 0.000 1.397 186 I CB -0.978 36.992 38.000 -0.050 0.000 1.072 186 I HN -0.153 nan 8.210 nan 0.000 0.417 187 L N -1.114 120.014 121.223 -0.159 0.000 1.990 187 L HA -0.320 4.018 4.340 -0.004 0.000 0.213 187 L C 2.522 179.329 176.870 -0.105 0.000 1.072 187 L CA 1.952 56.650 54.840 -0.237 0.000 0.755 187 L CB -0.977 40.864 42.059 -0.363 0.000 0.889 187 L HN 0.496 nan 8.230 nan 0.000 0.432 188 W N 1.087 122.247 121.300 -0.234 0.000 2.302 188 W HA -0.362 4.296 4.660 -0.004 0.000 0.320 188 W C 3.017 179.423 176.519 -0.189 0.000 1.241 188 W CA 2.097 59.316 57.345 -0.211 0.000 1.264 188 W CB -0.159 29.208 29.460 -0.154 0.000 1.154 188 W HN 0.367 nan 8.180 nan 0.000 0.483 189 S N 0.615 116.249 115.700 -0.109 0.000 2.370 189 S HA -0.236 4.232 4.470 -0.004 0.000 0.226 189 S C 1.850 176.301 174.600 -0.248 0.000 1.033 189 S CA 1.605 59.687 58.200 -0.197 0.000 1.011 189 S CB -0.506 62.646 63.200 -0.079 0.000 0.852 189 S HN 0.356 nan 8.310 nan 0.000 0.457 190 R N 0.226 120.601 120.500 -0.208 0.000 2.096 190 R HA 0.109 4.447 4.340 -0.004 0.000 0.235 190 R C 2.357 178.498 176.300 -0.266 0.000 1.127 190 R CA 1.714 57.701 56.100 -0.188 0.000 0.968 190 R CB -0.468 29.746 30.300 -0.143 0.000 0.861 190 R HN 0.511 nan 8.270 nan 0.000 0.440 191 I N -0.024 120.286 120.570 -0.434 0.000 2.202 191 I HA -0.243 3.925 4.170 -0.004 0.000 0.242 191 I C 1.996 177.705 176.117 -0.680 0.000 1.091 191 I CA 1.340 62.207 61.300 -0.722 0.000 1.368 191 I CB -0.527 36.891 38.000 -0.971 0.000 1.058 191 I HN 0.169 nan 8.210 nan 0.000 0.410 192 T N 0.963 115.067 114.554 -0.749 0.000 2.720 192 T HA -0.169 4.178 4.350 -0.004 0.000 0.268 192 T C 1.708 176.211 174.700 -0.328 0.000 1.037 192 T CA 1.603 63.340 62.100 -0.605 0.000 1.144 192 T CB -0.378 68.108 68.868 -0.636 0.000 0.864 192 T HN 0.289 nan 8.240 nan 0.000 0.444 193 N N 0.799 119.346 118.700 -0.255 0.000 2.069 193 N HA -0.091 4.647 4.740 -0.004 0.000 0.191 193 N C 1.989 177.433 175.510 -0.109 0.000 1.031 193 N CA 1.078 54.038 53.050 -0.149 0.000 0.852 193 N CB -0.394 38.026 38.487 -0.111 0.000 1.018 193 N HN 0.198 nan 8.380 nan 0.000 0.423 194 R N 1.458 121.892 120.500 -0.110 0.000 2.080 194 R HA -0.050 4.288 4.340 -0.004 0.000 0.236 194 R C 2.117 178.415 176.300 -0.004 0.000 1.137 194 R CA 1.471 57.564 56.100 -0.012 0.000 0.943 194 R CB -0.630 29.724 30.300 0.089 0.000 0.846 194 R HN 0.068 nan 8.270 nan 0.000 0.431 195 R N 0.196 120.652 120.500 -0.072 0.000 2.075 195 R HA -0.017 4.321 4.340 -0.004 0.000 0.230 195 R C 2.004 178.270 176.300 -0.056 0.000 1.140 195 R CA 1.641 57.712 56.100 -0.049 0.000 0.928 195 R CB -1.214 29.003 30.300 -0.138 0.000 0.834 195 R HN 0.320 nan 8.270 nan 0.000 0.429 196 L N 1.080 122.246 121.223 -0.095 0.000 2.261 196 L HA -0.066 4.272 4.340 -0.004 0.000 0.216 196 L C 1.894 178.736 176.870 -0.047 0.000 1.114 196 L CA 2.215 57.012 54.840 -0.072 0.000 0.777 196 L CB -0.980 41.025 42.059 -0.091 0.000 0.910 196 L HN 0.510 nan 8.230 nan 0.000 0.440 197 S N -2.063 113.612 115.700 -0.041 0.000 2.557 197 S HA 0.110 4.577 4.470 -0.004 0.000 0.223 197 S C 0.589 175.181 174.600 -0.014 0.000 0.969 197 S CA -0.421 57.763 58.200 -0.026 0.000 0.927 197 S CB -0.198 62.986 63.200 -0.026 0.000 0.806 197 S HN 0.449 nan 8.310 nan 0.000 0.489 198 N N 1.548 120.242 118.700 -0.010 0.000 2.655 198 N HA 0.079 4.816 4.740 -0.004 0.000 0.277 198 N C 0.423 175.933 175.510 0.001 0.000 1.177 198 N CA -0.128 52.922 53.050 -0.001 0.000 0.882 198 N CB 1.833 40.325 38.487 0.010 0.000 1.481 198 N HN 0.491 nan 8.380 nan 0.000 0.547 199 Q N 1.587 121.385 119.800 -0.003 0.000 2.297 199 Q HA -0.014 4.324 4.340 -0.004 0.000 0.204 199 Q C 0.071 176.070 176.000 -0.002 0.000 0.962 199 Q CA 1.286 57.087 55.803 -0.003 0.000 0.879 199 Q CB -0.210 28.526 28.738 -0.004 0.000 0.947 199 Q HN 0.425 nan 8.270 nan 0.000 0.462 200 N N 0.213 118.910 118.700 -0.004 0.000 2.336 200 N HA 0.112 4.850 4.740 -0.004 0.000 0.189 200 N C -0.762 174.740 175.510 -0.013 0.000 1.113 200 N CA -0.117 52.927 53.050 -0.009 0.000 0.858 200 N CB 0.902 39.381 38.487 -0.012 0.000 0.970 200 N HN -0.046 nan 8.380 nan 0.000 0.471 201 V N 1.160 121.075 119.914 0.001 0.000 2.546 201 V HA 0.226 4.344 4.120 -0.004 0.000 0.284 201 V C 0.306 176.416 176.094 0.026 0.000 1.050 201 V CA -0.085 62.223 62.300 0.014 0.000 0.981 201 V CB 1.442 33.305 31.823 0.067 0.000 0.990 201 V HN 0.133 nan 8.190 nan 0.000 0.474 202 T N 4.068 118.633 114.554 0.018 0.000 2.940 202 T HA 0.700 5.048 4.350 -0.004 0.000 0.288 202 T C -0.679 174.079 174.700 0.095 0.000 1.033 202 T CA -0.536 61.580 62.100 0.026 0.000 1.033 202 T CB 1.935 70.791 68.868 -0.020 0.000 1.079 202 T HN 0.349 nan 8.240 nan 0.000 0.496 203 V N 1.412 121.373 119.914 0.079 0.000 2.482 203 V HA 0.721 4.839 4.120 -0.004 0.000 0.295 203 V C -0.276 175.835 176.094 0.029 0.000 1.026 203 V CA -0.994 61.376 62.300 0.118 0.000 0.856 203 V CB 1.316 33.191 31.823 0.087 0.000 1.001 203 V HN 1.136 nan 8.190 nan 0.000 0.424 204 A N 4.572 127.389 122.820 -0.004 0.000 2.304 204 A HA 0.897 5.214 4.320 -0.004 0.000 0.323 204 A C -0.779 176.714 177.584 -0.152 0.000 1.195 204 A CA -0.565 51.413 52.037 -0.098 0.000 0.826 204 A CB 1.519 20.432 19.000 -0.144 0.000 1.184 204 A HN 0.743 nan 8.150 nan 0.000 0.496 205 V N 3.984 123.743 119.914 -0.257 0.000 2.409 205 V HA 0.358 4.476 4.120 -0.004 0.000 0.290 205 V C -1.036 174.812 176.094 -0.411 0.000 1.017 205 V CA -0.287 61.780 62.300 -0.387 0.000 0.841 205 V CB 1.025 32.479 31.823 -0.614 0.000 1.003 205 V HN 0.740 nan 8.190 nan 0.000 0.426 206 L N 4.124 125.211 121.223 -0.227 0.000 2.317 206 L HA 0.872 5.210 4.340 -0.004 0.000 0.281 206 L C 0.189 177.242 176.870 0.305 0.000 1.024 206 L CA 0.320 55.199 54.840 0.065 0.000 0.810 206 L CB 1.748 43.762 42.059 -0.076 0.000 1.240 206 L HN 0.692 nan 8.230 nan 0.000 0.427 207 S N 0.235 116.184 115.700 0.415 0.000 2.625 207 S HA 0.445 4.913 4.470 -0.004 0.000 0.271 207 S C 0.360 174.737 174.600 -0.372 0.000 1.161 207 S CA -0.293 57.953 58.200 0.077 0.000 0.820 207 S CB 1.829 65.005 63.200 -0.040 0.000 1.137 207 S HN 0.597 nan 8.310 nan 0.000 0.470 208 T N 1.397 115.637 114.554 -0.524 0.000 3.067 208 T HA 0.293 4.641 4.350 -0.004 0.000 0.257 208 T C -0.744 173.875 174.700 -0.135 0.000 1.105 208 T CA 0.917 62.725 62.100 -0.487 0.000 1.104 208 T CB -0.442 68.240 68.868 -0.308 0.000 0.925 208 T HN 0.591 nan 8.240 nan 0.000 0.498 209 Y N -0.778 119.384 120.300 -0.230 0.000 2.571 209 Y HA 0.628 5.176 4.550 -0.004 0.000 0.341 209 Y C -0.555 175.086 175.900 -0.432 0.000 1.076 209 Y CA -1.802 56.147 58.100 -0.251 0.000 1.029 209 Y CB 0.895 39.242 38.460 -0.190 0.000 1.308 209 Y HN -0.304 nan 8.280 nan 0.000 0.461 210 Q N 4.286 123.822 119.800 -0.441 0.000 2.313 210 Q HA 0.247 4.585 4.340 -0.004 0.000 0.266 210 Q C -0.679 175.103 176.000 -0.363 0.000 0.989 210 Q CA 0.012 55.302 55.803 -0.854 0.000 0.890 210 Q CB 0.430 28.753 28.738 -0.692 0.000 1.200 210 Q HN 1.038 nan 8.270 nan 0.000 0.396 211 H N 1.432 120.423 119.070 -0.133 0.000 3.199 211 H HA 0.371 4.925 4.556 -0.004 0.000 0.292 211 H C -0.005 175.351 175.328 0.047 0.000 1.600 211 H CA -1.001 55.025 56.048 -0.036 0.000 1.235 211 H CB 0.772 30.460 29.762 -0.124 0.000 1.839 211 H HN 0.544 nan 8.280 nan 0.000 0.623 212 R N -0.064 120.578 120.500 0.236 0.000 2.189 212 R HA 0.011 4.349 4.340 -0.004 0.000 0.223 212 R C 1.633 178.000 176.300 0.112 0.000 1.092 212 R CA 1.216 57.384 56.100 0.113 0.000 0.989 212 R CB 0.020 30.315 30.300 -0.009 0.000 0.876 212 R HN 0.399 nan 8.270 nan 0.000 0.457 213 S N 0.133 115.909 115.700 0.126 0.000 2.522 213 S HA -0.005 4.463 4.470 -0.004 0.000 0.227 213 S C 1.102 175.753 174.600 0.084 0.000 0.986 213 S CA 0.587 58.678 58.200 -0.182 0.000 0.929 213 S CB -0.067 62.824 63.200 -0.514 0.000 0.769 213 S HN 0.196 nan 8.310 nan 0.000 0.529 214 F N 2.236 122.217 119.950 0.052 0.000 2.259 214 F HA 0.002 4.527 4.527 -0.003 0.000 0.298 214 F C 2.295 178.146 175.800 0.085 0.000 1.088 214 F CA 0.650 58.661 58.000 0.018 0.000 1.358 214 F CB -0.357 38.592 39.000 -0.085 0.000 1.040 214 F HN 0.162 nan 8.300 nan 0.000 0.505 215 E N -0.134 120.229 120.200 0.272 0.000 2.197 215 E HA -0.296 4.052 4.350 -0.004 0.000 0.205 215 E C 1.885 178.589 176.600 0.172 0.000 1.029 215 E CA 1.638 58.160 56.400 0.203 0.000 0.828 215 E CB -0.474 29.350 29.700 0.208 0.000 0.737 215 E HN 0.354 nan 8.360 nan 0.000 0.464 216 L N -0.490 120.871 121.223 0.229 0.000 2.693 216 L HA 0.257 4.595 4.340 -0.004 0.000 0.235 216 L C 0.225 177.142 176.870 0.080 0.000 1.127 216 L CA 0.043 54.954 54.840 0.117 0.000 0.914 216 L CB 0.522 42.594 42.059 0.021 0.000 1.193 216 L HN -0.161 nan 8.230 nan 0.000 0.502 217 A N -0.392 122.479 122.820 0.084 0.000 2.404 217 A HA 0.168 4.486 4.320 -0.004 0.000 0.273 217 A C 0.729 178.329 177.584 0.028 0.000 1.144 217 A CA -0.225 51.821 52.037 0.014 0.000 0.806 217 A CB -0.001 18.934 19.000 -0.107 0.000 1.080 217 A HN 0.366 nan 8.150 nan 0.000 0.509 218 D N 1.662 122.071 120.400 0.016 0.000 2.123 218 D HA -0.093 4.545 4.640 -0.004 0.000 0.200 218 D C 0.437 176.744 176.300 0.012 0.000 0.976 218 D CA 1.344 55.353 54.000 0.016 0.000 0.831 218 D CB 0.209 41.015 40.800 0.009 0.000 0.974 218 D HN 0.743 nan 8.370 nan 0.000 0.469 219 N N 0.200 118.895 118.700 -0.009 0.000 2.706 219 N HA 0.337 5.075 4.740 -0.004 0.000 0.240 219 N C -0.693 174.798 175.510 -0.032 0.000 1.039 219 N CA -0.307 52.735 53.050 -0.014 0.000 0.888 219 N CB 1.087 39.552 38.487 -0.036 0.000 1.128 219 N HN -0.101 nan 8.380 nan 0.000 0.512 220 G N 3.229 112.055 108.800 0.044 0.000 2.319 220 G HA2 0.547 4.504 3.960 -0.004 0.000 0.308 220 G HA3 0.547 4.504 3.960 -0.004 0.000 0.308 220 G C -0.484 174.573 174.900 0.262 0.000 1.117 220 G CA -0.328 44.854 45.100 0.136 0.000 0.903 220 G HN 0.491 nan 8.290 nan 0.000 0.436 221 I N 2.194 122.934 120.570 0.283 0.000 2.498 221 I HA 0.328 4.496 4.170 -0.004 0.000 0.290 221 I C -0.942 175.387 176.117 0.353 0.000 1.032 221 I CA -0.788 60.655 61.300 0.238 0.000 1.073 221 I CB 2.422 40.496 38.000 0.123 0.000 1.251 221 I HN 0.222 nan 8.210 nan 0.000 0.426 222 I N 7.189 127.896 120.570 0.228 0.000 2.330 222 I HA 0.344 4.512 4.170 -0.004 0.000 0.289 222 I C -0.311 175.918 176.117 0.187 0.000 1.001 222 I CA -0.184 61.194 61.300 0.131 0.000 1.193 222 I CB 0.718 38.698 38.000 -0.034 0.000 1.345 222 I HN 0.306 nan 8.210 nan 0.000 0.461 223 F N 2.288 122.262 119.950 0.041 0.000 2.594 223 F HA 0.721 5.246 4.527 -0.003 0.000 0.335 223 F C 0.406 176.209 175.800 0.004 0.000 1.058 223 F CA -1.087 56.936 58.000 0.039 0.000 0.981 223 F CB 0.731 39.778 39.000 0.078 0.000 1.289 223 F HN 0.212 nan 8.300 nan 0.000 0.490 224 T N 1.938 116.562 114.554 0.117 0.000 2.907 224 T HA 0.313 4.661 4.350 -0.004 0.000 0.298 224 T C -2.515 172.107 174.700 -0.131 0.000 1.017 224 T CA -1.372 60.697 62.100 -0.050 0.000 1.118 224 T CB 0.350 69.279 68.868 0.100 0.000 0.948 224 T HN 0.381 nan 8.240 nan 0.000 0.531 225 P HA 0.039 nan 4.420 nan 0.000 0.262 225 P C 0.352 177.580 177.300 -0.121 0.000 1.182 225 P CA 0.514 63.294 63.100 -0.534 0.000 0.761 225 P CB 0.334 31.203 31.700 -1.386 0.000 0.795 226 Q N 0.483 120.363 119.800 0.134 0.000 2.788 226 Q HA -0.200 4.138 4.340 -0.004 0.000 0.157 226 Q C 1.478 177.813 176.000 0.557 0.000 0.731 226 Q CA 2.057 58.050 55.803 0.317 0.000 1.180 226 Q CB -2.419 26.485 28.738 0.277 0.000 1.009 226 Q HN 0.685 nan 8.270 nan 0.000 1.074 227 S N 1.142 117.144 115.700 0.504 0.000 2.507 227 S HA -0.125 4.343 4.470 -0.004 0.000 0.235 227 S C 1.231 176.011 174.600 0.300 0.000 0.988 227 S CA 1.385 59.822 58.200 0.396 0.000 0.944 227 S CB -0.270 63.098 63.200 0.280 0.000 0.762 227 S HN 0.442 nan 8.310 nan 0.000 0.526 228 D N 2.809 123.404 120.400 0.325 0.000 2.190 228 D HA -0.198 4.440 4.640 -0.004 0.000 0.200 228 D C 1.778 178.112 176.300 0.057 0.000 0.992 228 D CA 1.134 55.208 54.000 0.122 0.000 0.854 228 D CB -0.921 40.056 40.800 0.295 0.000 0.936 228 D HN 0.510 nan 8.370 nan 0.000 0.462 229 L N 0.197 121.506 121.223 0.144 0.000 2.079 229 L HA -0.155 4.182 4.340 -0.004 0.000 0.210 229 L C 2.641 179.500 176.870 -0.018 0.000 1.081 229 L CA 0.806 55.680 54.840 0.057 0.000 0.752 229 L CB -0.425 41.793 42.059 0.265 0.000 0.896 229 L HN 0.008 nan 8.230 nan 0.000 0.433 230 V N 0.092 120.059 119.914 0.088 0.000 2.270 230 V HA -0.273 3.845 4.120 -0.004 0.000 0.245 230 V C 2.327 178.414 176.094 -0.012 0.000 1.043 230 V CA 1.835 64.136 62.300 0.003 0.000 1.014 230 V CB -0.462 31.394 31.823 0.055 0.000 0.645 230 V HN 0.304 nan 8.190 nan 0.000 0.447 231 I N -0.183 120.418 120.570 0.052 0.000 2.163 231 I HA -0.280 3.888 4.170 -0.004 0.000 0.243 231 I C 2.469 178.656 176.117 0.115 0.000 1.085 231 I CA 1.708 63.096 61.300 0.146 0.000 1.347 231 I CB -0.514 37.601 38.000 0.192 0.000 1.044 231 I HN 0.241 nan 8.210 nan 0.000 0.408 232 L N 0.521 121.696 121.223 -0.080 0.000 1.989 232 L HA -0.269 4.069 4.340 -0.004 0.000 0.211 232 L C 2.240 178.974 176.870 -0.227 0.000 1.071 232 L CA 2.054 56.735 54.840 -0.265 0.000 0.749 232 L CB -0.806 40.981 42.059 -0.453 0.000 0.890 232 L HN 0.316 nan 8.230 nan 0.000 0.431 233 N N -1.376 117.143 118.700 -0.302 0.000 2.084 233 N HA -0.274 4.464 4.740 -0.004 0.000 0.190 233 N C 1.810 177.225 175.510 -0.158 0.000 1.030 233 N CA 1.403 54.221 53.050 -0.387 0.000 0.849 233 N CB -0.294 37.510 38.487 -1.139 0.000 1.012 233 N HN 0.269 nan 8.380 nan 0.000 0.423 234 Y N 1.832 122.053 120.300 -0.130 0.000 2.081 234 Y HA -0.236 4.312 4.550 -0.003 0.000 0.280 234 Y C 1.873 177.800 175.900 0.045 0.000 1.163 234 Y CA 1.538 59.660 58.100 0.036 0.000 1.135 234 Y CB -0.464 38.032 38.460 0.061 0.000 0.970 234 Y HN 0.058 nan 8.280 nan 0.000 0.498 235 I N 0.373 120.797 120.570 -0.243 0.000 2.264 235 I HA -0.342 3.826 4.170 -0.004 0.000 0.248 235 I C 2.706 178.695 176.117 -0.213 0.000 1.111 235 I CA 1.206 62.318 61.300 -0.313 0.000 1.382 235 I CB -0.828 37.070 38.000 -0.170 0.000 1.060 235 I HN 0.408 nan 8.210 nan 0.000 0.418 236 A N 0.712 123.431 122.820 -0.170 0.000 1.877 236 A HA -0.271 4.047 4.320 -0.004 0.000 0.216 236 A C 2.166 179.689 177.584 -0.102 0.000 1.186 236 A CA 2.109 54.085 52.037 -0.101 0.000 0.620 236 A CB -1.065 17.893 19.000 -0.070 0.000 0.822 236 A HN 0.539 nan 8.150 nan 0.000 0.443 237 N N -1.834 116.787 118.700 -0.132 0.000 2.036 237 N HA -0.278 4.460 4.740 -0.004 0.000 0.195 237 N C 1.805 177.252 175.510 -0.106 0.000 1.037 237 N CA 1.980 54.964 53.050 -0.111 0.000 0.855 237 N CB -0.340 38.122 38.487 -0.042 0.000 1.033 237 N HN 0.550 nan 8.380 nan 0.000 0.423 238 Y N 1.648 121.739 120.300 -0.349 0.000 2.114 238 Y HA -0.213 4.335 4.550 -0.003 0.000 0.282 238 Y C 2.244 178.051 175.900 -0.156 0.000 1.165 238 Y CA 1.772 59.691 58.100 -0.301 0.000 1.148 238 Y CB -0.362 37.804 38.460 -0.491 0.000 0.972 238 Y HN 0.129 nan 8.280 nan 0.000 0.504 239 I N -0.291 120.321 120.570 0.071 0.000 2.194 239 I HA -0.376 3.792 4.170 -0.004 0.000 0.246 239 I C 2.344 178.433 176.117 -0.047 0.000 1.093 239 I CA 1.695 63.012 61.300 0.030 0.000 1.355 239 I CB -0.456 37.566 38.000 0.037 0.000 1.046 239 I HN 0.277 nan 8.210 nan 0.000 0.413 240 I N -0.113 120.429 120.570 -0.046 0.000 2.133 240 I HA -0.305 3.863 4.170 -0.004 0.000 0.238 240 I C 2.647 178.727 176.117 -0.062 0.000 1.074 240 I CA 1.297 62.584 61.300 -0.022 0.000 1.342 240 I CB -0.314 37.681 38.000 -0.007 0.000 1.053 240 I HN 0.201 nan 8.210 nan 0.000 0.404 241 Q N 0.802 120.536 119.800 -0.110 0.000 2.217 241 Q HA -0.206 4.131 4.340 -0.004 0.000 0.209 241 Q C 1.076 176.964 176.000 -0.186 0.000 0.988 241 Q CA 1.463 57.181 55.803 -0.143 0.000 0.878 241 Q CB -0.049 28.575 28.738 -0.189 0.000 0.909 241 Q HN 0.408 nan 8.270 nan 0.000 0.424 242 N N -0.451 118.105 118.700 -0.241 0.000 2.321 242 N HA 0.059 4.796 4.740 -0.004 0.000 0.242 242 N C -0.463 174.974 175.510 -0.122 0.000 1.141 242 N CA 0.722 53.632 53.050 -0.234 0.000 0.864 242 N CB -0.272 37.982 38.487 -0.388 0.000 1.100 242 N HN 0.422 nan 8.380 nan 0.000 0.510 243 N N 0.633 119.283 118.700 -0.082 0.000 2.702 243 N HA -0.251 4.487 4.740 -0.004 0.000 0.255 243 N C 0.850 176.332 175.510 -0.047 0.000 0.983 243 N CA 0.959 53.979 53.050 -0.050 0.000 0.768 243 N CB -1.827 36.638 38.487 -0.037 0.000 0.918 243 N HN 0.452 nan 8.380 nan 0.000 0.540 244 A N -0.632 122.159 122.820 -0.048 0.000 2.390 244 A HA 0.522 4.840 4.320 -0.004 0.000 0.232 244 A C 0.789 178.350 177.584 -0.039 0.000 1.233 244 A CA -0.093 51.928 52.037 -0.028 0.000 0.907 244 A CB 0.291 19.292 19.000 0.001 0.000 0.967 244 A HN 0.789 nan 8.150 nan 0.000 0.512 245 I N 1.986 122.506 120.570 -0.083 0.000 2.741 245 I HA -0.086 4.082 4.170 -0.004 0.000 0.288 245 I C 0.389 176.461 176.117 -0.076 0.000 1.192 245 I CA -0.059 61.149 61.300 -0.153 0.000 1.426 245 I CB 0.283 38.078 38.000 -0.341 0.000 1.367 245 I HN 0.260 nan 8.210 nan 0.000 0.563 246 N N 7.331 126.023 118.700 -0.013 0.000 2.421 246 N HA -0.022 4.716 4.740 -0.004 0.000 0.260 246 N C 0.840 176.434 175.510 0.140 0.000 1.173 246 N CA 0.010 53.102 53.050 0.069 0.000 0.960 246 N CB 0.879 39.419 38.487 0.088 0.000 1.273 246 N HN 0.490 nan 8.380 nan 0.000 0.497 247 Q N 1.998 121.850 119.800 0.087 0.000 2.050 247 Q HA -0.172 4.165 4.340 -0.004 0.000 0.202 247 Q C 0.957 177.052 176.000 0.158 0.000 0.980 247 Q CA 1.457 57.320 55.803 0.100 0.000 0.840 247 Q CB -0.299 28.462 28.738 0.038 0.000 0.898 247 Q HN 0.700 nan 8.270 nan 0.000 0.424 248 D N -0.250 120.240 120.400 0.149 0.000 2.084 248 D HA -0.163 4.475 4.640 -0.004 0.000 0.194 248 D C 1.749 178.150 176.300 0.169 0.000 0.990 248 D CA 0.851 54.931 54.000 0.133 0.000 0.826 248 D CB -0.328 40.557 40.800 0.142 0.000 0.971 248 D HN 0.180 nan 8.370 nan 0.000 0.453 249 F N -0.192 119.849 119.950 0.152 0.000 2.102 249 F HA -0.150 4.375 4.527 -0.003 0.000 0.298 249 F C 2.086 177.993 175.800 0.178 0.000 1.105 249 F CA 1.276 59.412 58.000 0.227 0.000 1.239 249 F CB -0.572 38.554 39.000 0.210 0.000 0.991 249 F HN -0.043 nan 8.300 nan 0.000 0.474 250 F N 0.391 120.457 119.950 0.193 0.000 2.192 250 F HA -0.245 4.280 4.527 -0.004 0.000 0.301 250 F C 2.517 178.242 175.800 -0.125 0.000 1.079 250 F CA 1.837 59.855 58.000 0.030 0.000 1.303 250 F CB -0.843 38.166 39.000 0.016 0.000 1.024 250 F HN -0.033 nan 8.300 nan 0.000 0.494 251 S N -0.446 115.193 115.700 -0.101 0.000 2.388 251 S HA -0.078 4.389 4.470 -0.004 0.000 0.223 251 S C 1.804 176.224 174.600 -0.300 0.000 1.034 251 S CA 1.053 59.133 58.200 -0.199 0.000 0.963 251 S CB -0.023 63.118 63.200 -0.098 0.000 0.827 251 S HN 0.424 nan 8.310 nan 0.000 0.481 252 K N -0.015 120.133 120.400 -0.420 0.000 2.314 252 K HA 0.121 4.438 4.320 -0.004 0.000 0.198 252 K C 0.734 176.991 176.600 -0.571 0.000 1.045 252 K CA 0.922 56.865 56.287 -0.575 0.000 0.988 252 K CB -0.079 31.910 32.500 -0.852 0.000 0.783 252 K HN 0.480 nan 8.250 nan 0.000 0.484 253 H N -0.317 118.562 119.070 -0.318 0.000 3.058 253 H HA 0.255 4.808 4.556 -0.004 0.000 0.266 253 H C -0.724 174.393 175.328 -0.352 0.000 1.135 253 H CA -0.575 55.271 56.048 -0.336 0.000 1.174 253 H CB 1.277 30.685 29.762 -0.589 0.000 1.581 253 H HN -0.170 nan 8.280 nan 0.000 0.553 254 V N 1.223 120.941 119.914 -0.327 0.000 2.656 254 V HA 0.250 4.367 4.120 -0.004 0.000 0.307 254 V C -0.539 175.296 176.094 -0.431 0.000 1.051 254 V CA -0.964 61.109 62.300 -0.377 0.000 0.893 254 V CB 2.087 33.684 31.823 -0.377 0.000 0.999 254 V HN 0.346 nan 8.190 nan 0.000 0.426 255 N N 2.882 121.347 118.700 -0.392 0.000 2.404 255 N HA 0.805 5.542 4.740 -0.004 0.000 0.297 255 N C -1.451 173.795 175.510 -0.440 0.000 1.163 255 N CA -0.814 52.005 53.050 -0.384 0.000 0.864 255 N CB 2.034 40.327 38.487 -0.324 0.000 1.247 255 N HN 0.478 nan 8.380 nan 0.000 0.510 256 L N 1.120 122.102 121.223 -0.402 0.000 2.341 256 L HA 0.606 4.944 4.340 -0.004 0.000 0.278 256 L C -0.037 176.577 176.870 -0.427 0.000 1.005 256 L CA -0.667 53.908 54.840 -0.441 0.000 0.818 256 L CB 1.541 43.390 42.059 -0.349 0.000 1.259 256 L HN 0.371 nan 8.230 nan 0.000 0.418 257 R N 1.575 121.742 120.500 -0.555 0.000 2.837 257 R HA 0.530 4.868 4.340 -0.004 0.000 0.271 257 R C -1.149 174.940 176.300 -0.352 0.000 0.993 257 R CA -1.111 54.706 56.100 -0.471 0.000 0.931 257 R CB 3.054 32.938 30.300 -0.692 0.000 1.206 257 R HN 0.447 nan 8.270 nan 0.000 0.474 258 K N 0.560 120.834 120.400 -0.211 0.000 2.274 258 K HA 0.409 4.727 4.320 -0.004 0.000 0.262 258 K C -0.424 176.125 176.600 -0.085 0.000 0.961 258 K CA -0.439 55.740 56.287 -0.181 0.000 0.833 258 K CB 1.704 34.119 32.500 -0.141 0.000 1.102 258 K HN 0.777 nan 8.250 nan 0.000 0.436 259 G N 1.847 110.576 108.800 -0.117 0.000 2.425 259 G HA2 0.519 4.477 3.960 -0.004 0.000 0.302 259 G HA3 0.519 4.477 3.960 -0.004 0.000 0.302 259 G C -0.692 174.157 174.900 -0.084 0.000 1.159 259 G CA -0.760 44.294 45.100 -0.077 0.000 0.865 259 G HN 0.765 nan 8.290 nan 0.000 0.515 260 A N 0.869 123.704 122.820 0.025 0.000 2.425 260 A HA 0.633 4.951 4.320 -0.004 0.000 0.249 260 A C 0.983 178.672 177.584 0.175 0.000 1.084 260 A CA 0.419 52.503 52.037 0.078 0.000 0.781 260 A CB 0.096 19.149 19.000 0.088 0.000 1.019 260 A HN 1.268 nan 8.150 nan 0.000 0.490 261 T N -1.297 113.359 114.554 0.170 0.000 2.905 261 T HA 0.573 4.921 4.350 -0.004 0.000 0.283 261 T C -0.241 174.596 174.700 0.230 0.000 1.031 261 T CA 0.188 62.466 62.100 0.296 0.000 1.002 261 T CB 1.235 70.224 68.868 0.201 0.000 1.200 261 T HN 0.886 nan 8.240 nan 0.000 0.560 262 D N 0.020 120.555 120.400 0.226 0.000 2.760 262 D HA -0.145 4.492 4.640 -0.004 0.000 0.244 262 D C 0.542 176.846 176.300 0.006 0.000 1.123 262 D CA 0.843 54.897 54.000 0.091 0.000 0.719 262 D CB -1.323 39.532 40.800 0.093 0.000 1.045 262 D HN 0.770 nan 8.370 nan 0.000 0.426 263 I N -2.192 118.316 120.570 -0.103 0.000 3.875 263 I HA 0.454 4.622 4.170 -0.004 0.000 0.329 263 I C 1.335 177.287 176.117 -0.275 0.000 1.295 263 I CA 0.337 61.537 61.300 -0.166 0.000 1.129 263 I CB 0.134 38.026 38.000 -0.180 0.000 1.008 263 I HN 0.369 nan 8.210 nan 0.000 0.413 264 G N 2.253 110.844 108.800 -0.349 0.000 2.642 264 G HA2 -0.309 3.649 3.960 -0.004 0.000 0.231 264 G HA3 -0.309 3.649 3.960 -0.004 0.000 0.231 264 G C -0.578 173.876 174.900 -0.744 0.000 1.338 264 G CA 0.277 45.190 45.100 -0.312 0.000 0.883 264 G HN 0.429 nan 8.290 nan 0.000 0.570 265 Y N 0.552 120.780 120.300 -0.119 0.000 2.750 265 Y HA 0.460 5.008 4.550 -0.003 0.000 0.247 265 Y C 1.589 177.400 175.900 -0.149 0.000 1.098 265 Y CA 0.412 58.419 58.100 -0.154 0.000 1.120 265 Y CB 0.692 39.052 38.460 -0.168 0.000 1.210 265 Y HN 2.014 nan 8.280 nan 0.000 0.601 266 G N 1.420 110.188 108.800 -0.053 0.000 2.416 266 G HA2 -0.311 3.647 3.960 -0.004 0.000 0.301 266 G HA3 -0.311 3.647 3.960 -0.004 0.000 0.301 266 G C 0.006 174.898 174.900 -0.013 0.000 0.985 266 G CA 0.611 45.687 45.100 -0.040 0.000 0.934 266 G HN 0.391 nan 8.290 nan 0.000 0.513 267 L N -1.399 119.805 121.223 -0.032 0.000 2.416 267 L HA 0.535 4.873 4.340 -0.004 0.000 0.263 267 L C 1.542 178.412 176.870 -0.001 0.000 1.065 267 L CA -1.337 53.462 54.840 -0.070 0.000 0.798 267 L CB 0.557 42.468 42.059 -0.248 0.000 1.267 267 L HN 0.102 nan 8.230 nan 0.000 0.467 268 R N 1.688 122.197 120.500 0.016 0.000 2.585 268 R HA -0.010 4.328 4.340 -0.004 0.000 0.275 268 R C -1.496 174.850 176.300 0.076 0.000 1.018 268 R CA -1.009 55.119 56.100 0.047 0.000 1.072 268 R CB 0.125 30.455 30.300 0.049 0.000 0.953 268 R HN 0.399 nan 8.270 nan 0.000 0.419 269 P HA -0.194 nan 4.420 nan 0.000 0.219 269 P C 1.014 178.355 177.300 0.068 0.000 1.146 269 P CA 1.504 64.640 63.100 0.060 0.000 0.808 269 P CB -0.070 31.656 31.700 0.042 0.000 0.779 270 T N -4.667 109.925 114.554 0.063 0.000 2.977 270 T HA -0.164 4.184 4.350 -0.004 0.000 0.271 270 T C 1.104 175.837 174.700 0.055 0.000 1.105 270 T CA 0.538 62.666 62.100 0.046 0.000 1.116 270 T CB -1.130 67.757 68.868 0.032 0.000 0.878 270 T HN 0.200 nan 8.240 nan 0.000 0.509 271 H N 2.401 121.473 119.070 0.004 0.000 2.652 271 H HA 0.176 4.729 4.556 -0.004 0.000 0.349 271 H C -1.802 173.529 175.328 0.005 0.000 1.099 271 H CA -2.027 54.020 56.048 -0.001 0.000 1.417 271 H CB 1.646 31.407 29.762 -0.003 0.000 1.457 271 H HN -0.083 nan 8.280 nan 0.000 0.568 272 P HA -0.195 nan 4.420 nan 0.000 0.218 272 P C 1.606 178.978 177.300 0.121 0.000 1.154 272 P CA 1.437 64.489 63.100 -0.079 0.000 0.872 272 P CB 0.177 31.759 31.700 -0.197 0.000 0.790 273 L N -1.486 119.951 121.223 0.358 0.000 2.376 273 L HA -0.081 4.257 4.340 -0.004 0.000 0.219 273 L C 2.232 179.237 176.870 0.225 0.000 1.133 273 L CA 0.988 55.993 54.840 0.274 0.000 0.816 273 L CB -0.568 41.638 42.059 0.244 0.000 0.933 273 L HN -0.033 nan 8.230 nan 0.000 0.449 274 E N 0.423 120.743 120.200 0.200 0.000 2.075 274 E HA -0.068 4.279 4.350 -0.004 0.000 0.190 274 E C 2.048 178.698 176.600 0.084 0.000 0.969 274 E CA 0.636 57.108 56.400 0.118 0.000 0.815 274 E CB 0.019 29.781 29.700 0.104 0.000 0.776 274 E HN 0.365 nan 8.360 nan 0.000 0.457 275 K N 0.988 121.435 120.400 0.079 0.000 2.160 275 K HA -0.075 4.243 4.320 -0.004 0.000 0.206 275 K C 1.912 178.544 176.600 0.052 0.000 1.047 275 K CA 1.315 57.633 56.287 0.052 0.000 0.930 275 K CB -0.073 32.447 32.500 0.034 0.000 0.720 275 K HN 0.019 nan 8.250 nan 0.000 0.450 276 A N 1.139 124.001 122.820 0.070 0.000 2.169 276 A HA 0.231 4.549 4.320 -0.004 0.000 0.212 276 A C 0.959 178.585 177.584 0.070 0.000 1.153 276 A CA 0.253 52.330 52.037 0.068 0.000 0.756 276 A CB -0.078 18.968 19.000 0.078 0.000 0.813 276 A HN 0.266 nan 8.150 nan 0.000 0.471 277 A N 0.127 122.988 122.820 0.068 0.000 2.462 277 A HA 0.362 4.679 4.320 -0.004 0.000 0.243 277 A C 1.192 178.799 177.584 0.039 0.000 1.076 277 A CA 0.507 52.573 52.037 0.047 0.000 0.773 277 A CB 0.273 19.290 19.000 0.027 0.000 1.010 277 A HN 0.473 nan 8.150 nan 0.000 0.493 278 K N 1.069 121.492 120.400 0.038 0.000 2.128 278 K HA 0.034 4.352 4.320 -0.004 0.000 0.202 278 K C 0.113 176.733 176.600 0.032 0.000 1.050 278 K CA 1.429 57.739 56.287 0.038 0.000 0.966 278 K CB 0.048 32.577 32.500 0.048 0.000 0.759 278 K HN 0.782 nan 8.250 nan 0.000 0.454 279 N N 1.925 120.642 118.700 0.028 0.000 2.644 279 N HA 0.201 4.938 4.740 -0.004 0.000 0.313 279 N C -2.774 172.738 175.510 0.004 0.000 1.863 279 N CA -1.343 51.723 53.050 0.026 0.000 0.918 279 N CB 1.589 40.104 38.487 0.047 0.000 1.320 279 N HN 0.132 nan 8.380 nan 0.000 0.490 280 P HA 0.058 nan 4.420 nan 0.000 0.259 280 P C 0.897 178.173 177.300 -0.039 0.000 1.211 280 P CA 1.045 64.128 63.100 -0.028 0.000 0.810 280 P CB 0.425 32.122 31.700 -0.005 0.000 0.815 281 G N 2.606 111.359 108.800 -0.078 0.000 2.143 281 G HA2 -0.233 3.725 3.960 -0.004 0.000 0.248 281 G HA3 -0.233 3.725 3.960 -0.004 0.000 0.248 281 G C 0.205 175.075 174.900 -0.050 0.000 0.991 281 G CA 0.236 45.289 45.100 -0.080 0.000 0.689 281 G HN 0.824 nan 8.290 nan 0.000 0.522 282 S N 0.226 115.912 115.700 -0.022 0.000 2.499 282 S HA 0.526 4.993 4.470 -0.004 0.000 0.279 282 S C 0.742 175.360 174.600 0.031 0.000 1.219 282 S CA 0.282 58.487 58.200 0.007 0.000 1.062 282 S CB 1.741 64.955 63.200 0.024 0.000 0.978 282 S HN 0.523 nan 8.310 nan 0.000 0.489 283 D N 2.048 122.460 120.400 0.020 0.000 2.358 283 D HA 0.212 4.850 4.640 -0.004 0.000 0.224 283 D C 0.624 176.948 176.300 0.041 0.000 1.123 283 D CA -0.382 53.635 54.000 0.028 0.000 0.833 283 D CB -0.205 40.585 40.800 -0.017 0.000 0.946 283 D HN 0.636 nan 8.370 nan 0.000 0.505 284 A N 0.598 123.449 122.820 0.051 0.000 2.386 284 A HA 0.535 4.853 4.320 -0.004 0.000 0.248 284 A C 0.439 178.064 177.584 0.069 0.000 1.082 284 A CA -0.093 51.976 52.037 0.053 0.000 0.789 284 A CB 0.392 19.416 19.000 0.040 0.000 1.025 284 A HN 0.452 nan 8.150 nan 0.000 0.490 285 S N 0.576 116.319 115.700 0.071 0.000 2.570 285 S HA 0.707 5.175 4.470 -0.004 0.000 0.270 285 S C -1.407 173.201 174.600 0.013 0.000 1.149 285 S CA -0.913 57.330 58.200 0.072 0.000 0.837 285 S CB 1.725 65.053 63.200 0.213 0.000 1.124 285 S HN 0.660 nan 8.310 nan 0.000 0.465 286 E N 0.753 120.935 120.200 -0.030 0.000 2.288 286 E HA 0.577 4.925 4.350 -0.004 0.000 0.268 286 E C -2.984 173.553 176.600 -0.106 0.000 0.885 286 E CA -2.278 54.089 56.400 -0.054 0.000 0.767 286 E CB 1.714 31.392 29.700 -0.036 0.000 1.220 286 E HN 0.387 nan 8.360 nan 0.000 0.427 287 P HA 0.041 nan 4.420 nan 0.000 0.266 287 P C -0.383 176.847 177.300 -0.118 0.000 1.193 287 P CA 0.412 63.427 63.100 -0.142 0.000 0.770 287 P CB 0.471 32.106 31.700 -0.109 0.000 0.836 288 M N 1.856 121.375 119.600 -0.134 0.000 2.446 288 M HA 0.356 4.834 4.480 -0.004 0.000 0.294 288 M C -0.303 175.967 176.300 -0.050 0.000 1.158 288 M CA -0.660 54.587 55.300 -0.089 0.000 0.899 288 M CB 1.975 34.505 32.600 -0.118 0.000 1.687 288 M HN 0.374 nan 8.290 nan 0.000 0.455 289 S N 2.617 118.317 115.700 0.000 0.000 2.593 289 S HA 0.164 4.631 4.470 -0.004 0.000 0.269 289 S C 0.728 175.402 174.600 0.124 0.000 1.334 289 S CA -0.462 57.769 58.200 0.052 0.000 1.015 289 S CB 0.600 63.831 63.200 0.052 0.000 0.912 289 S HN 0.744 nan 8.310 nan 0.000 0.541 290 F N 2.570 122.553 119.950 0.055 0.000 2.120 290 F HA -0.122 4.403 4.527 -0.004 0.000 0.300 290 F C 2.283 178.180 175.800 0.162 0.000 1.095 290 F CA 2.314 60.400 58.000 0.143 0.000 1.249 290 F CB -0.683 38.420 39.000 0.172 0.000 0.995 290 F HN 0.903 nan 8.300 nan 0.000 0.480 291 E N -0.550 119.631 120.200 -0.031 0.000 2.152 291 E HA -0.170 4.178 4.350 -0.004 0.000 0.192 291 E C 1.720 178.259 176.600 -0.102 0.000 0.983 291 E CA 1.508 57.821 56.400 -0.145 0.000 0.818 291 E CB -0.829 28.867 29.700 -0.007 0.000 0.758 291 E HN 0.312 nan 8.360 nan 0.000 0.467 292 D N -0.013 120.377 120.400 -0.017 0.000 2.116 292 D HA -0.212 4.426 4.640 -0.004 0.000 0.193 292 D C 1.587 177.922 176.300 0.058 0.000 0.998 292 D CA 1.422 55.437 54.000 0.026 0.000 0.836 292 D CB -0.468 40.355 40.800 0.039 0.000 0.951 292 D HN 0.317 nan 8.370 nan 0.000 0.449 293 Y N 1.728 121.958 120.300 -0.116 0.000 2.114 293 Y HA -0.193 4.354 4.550 -0.004 0.000 0.284 293 Y C 2.319 178.157 175.900 -0.104 0.000 1.143 293 Y CA 2.019 60.052 58.100 -0.111 0.000 1.135 293 Y CB -0.256 38.126 38.460 -0.131 0.000 0.980 293 Y HN -0.156 nan 8.280 nan 0.000 0.499 294 K N 0.215 120.400 120.400 -0.358 0.000 2.063 294 K HA -0.208 4.110 4.320 -0.004 0.000 0.208 294 K C 2.181 178.643 176.600 -0.230 0.000 1.048 294 K CA 1.482 57.516 56.287 -0.422 0.000 0.928 294 K CB -0.477 31.663 32.500 -0.600 0.000 0.713 294 K HN 0.375 nan 8.250 nan 0.000 0.442 295 A N 0.713 123.446 122.820 -0.145 0.000 1.902 295 A HA -0.152 4.166 4.320 -0.004 0.000 0.217 295 A C 2.029 179.579 177.584 -0.057 0.000 1.181 295 A CA 1.380 53.367 52.037 -0.082 0.000 0.623 295 A CB -0.860 18.113 19.000 -0.045 0.000 0.818 295 A HN 0.547 nan 8.150 nan 0.000 0.443 296 F N 0.943 120.798 119.950 -0.159 0.000 2.095 296 F HA -0.206 4.319 4.527 -0.004 0.000 0.298 296 F C 2.247 178.000 175.800 -0.080 0.000 1.104 296 F CA 2.303 60.236 58.000 -0.112 0.000 1.232 296 F CB 0.032 38.978 39.000 -0.090 0.000 0.987 296 F HN 0.136 nan 8.300 nan 0.000 0.475 297 V N -1.697 118.253 119.914 0.060 0.000 3.235 297 V HA 0.200 4.317 4.120 -0.004 0.000 0.259 297 V C 2.207 178.336 176.094 0.058 0.000 1.133 297 V CA 0.957 63.323 62.300 0.111 0.000 1.128 297 V CB -1.293 30.448 31.823 -0.137 0.000 0.757 297 V HN 0.313 nan 8.190 nan 0.000 0.469 298 A N 0.447 123.229 122.820 -0.064 0.000 2.024 298 A HA -0.171 4.147 4.320 -0.004 0.000 0.220 298 A C 2.114 179.636 177.584 -0.103 0.000 1.164 298 A CA 1.793 53.788 52.037 -0.070 0.000 0.643 298 A CB -0.527 18.418 19.000 -0.091 0.000 0.806 298 A HN 0.567 nan 8.150 nan 0.000 0.451 299 E N -0.602 119.464 120.200 -0.222 0.000 2.160 299 E HA -0.167 4.180 4.350 -0.004 0.000 0.195 299 E C -0.194 176.147 176.600 -0.431 0.000 0.991 299 E CA 0.767 56.927 56.400 -0.400 0.000 0.810 299 E CB -0.369 28.939 29.700 -0.653 0.000 0.742 299 E HN 0.779 nan 8.360 nan 0.000 0.466 300 Y N 1.891 122.155 120.300 -0.061 0.000 2.570 300 Y HA 0.053 4.601 4.550 -0.004 0.000 0.336 300 Y C 0.569 176.547 175.900 0.130 0.000 1.284 300 Y CA -0.223 57.892 58.100 0.026 0.000 1.761 300 Y CB -0.531 37.960 38.460 0.053 0.000 1.724 300 Y HN -0.201 nan 8.280 nan 0.000 0.455 301 T N -1.636 113.005 114.554 0.145 0.000 2.897 301 T HA 0.129 4.477 4.350 -0.004 0.000 0.294 301 T C 1.245 176.040 174.700 0.159 0.000 1.004 301 T CA -0.876 61.322 62.100 0.164 0.000 1.106 301 T CB 1.385 70.284 68.868 0.052 0.000 0.949 301 T HN 0.523 nan 8.240 nan 0.000 0.520 302 L N 1.823 123.182 121.223 0.227 0.000 2.058 302 L HA -0.279 4.059 4.340 -0.004 0.000 0.226 302 L C 2.589 179.403 176.870 -0.094 0.000 1.089 302 L CA 2.312 57.129 54.840 -0.040 0.000 0.799 302 L CB -0.812 41.325 42.059 0.131 0.000 0.900 302 L HN 0.873 nan 8.230 nan 0.000 0.442 303 E N -0.067 120.124 120.200 -0.016 0.000 2.031 303 E HA -0.315 4.033 4.350 -0.004 0.000 0.193 303 E C 2.212 178.787 176.600 -0.042 0.000 0.994 303 E CA 1.914 58.297 56.400 -0.027 0.000 0.800 303 E CB -0.719 28.975 29.700 -0.009 0.000 0.752 303 E HN 0.650 nan 8.360 nan 0.000 0.447 304 K N 0.650 121.029 120.400 -0.035 0.000 2.057 304 K HA -0.096 4.222 4.320 -0.004 0.000 0.207 304 K C 2.281 178.853 176.600 -0.048 0.000 1.049 304 K CA 1.813 58.074 56.287 -0.045 0.000 0.931 304 K CB -0.102 32.364 32.500 -0.057 0.000 0.714 304 K HN 0.093 nan 8.250 nan 0.000 0.440 305 T N 0.789 115.310 114.554 -0.054 0.000 2.652 305 T HA -0.195 4.153 4.350 -0.004 0.000 0.267 305 T C 1.867 176.505 174.700 -0.105 0.000 1.039 305 T CA 1.503 63.548 62.100 -0.092 0.000 1.153 305 T CB -0.424 68.289 68.868 -0.258 0.000 0.863 305 T HN 0.409 nan 8.240 nan 0.000 0.428 306 A N 1.449 124.194 122.820 -0.125 0.000 1.917 306 A HA -0.222 4.096 4.320 -0.004 0.000 0.219 306 A C 2.226 179.789 177.584 -0.036 0.000 1.182 306 A CA 2.271 54.260 52.037 -0.080 0.000 0.633 306 A CB -0.718 18.238 19.000 -0.073 0.000 0.819 306 A HN 0.727 nan 8.150 nan 0.000 0.448 307 E N -0.756 119.423 120.200 -0.036 0.000 2.047 307 E HA -0.146 4.202 4.350 -0.004 0.000 0.191 307 E C 1.972 178.564 176.600 -0.014 0.000 0.987 307 E CA 1.316 57.704 56.400 -0.020 0.000 0.799 307 E CB -0.277 29.408 29.700 -0.024 0.000 0.752 307 E HN 0.583 nan 8.360 nan 0.000 0.449 308 M N 0.545 120.122 119.600 -0.039 0.000 2.460 308 M HA -0.055 4.422 4.480 -0.004 0.000 0.263 308 M C 1.600 177.900 176.300 0.000 0.000 1.071 308 M CA 1.732 56.995 55.300 -0.062 0.000 1.096 308 M CB 0.190 32.691 32.600 -0.164 0.000 1.408 308 M HN 0.345 nan 8.290 nan 0.000 0.463 309 T N -5.478 109.096 114.554 0.034 0.000 2.975 309 T HA 0.330 4.678 4.350 -0.004 0.000 0.257 309 T C 1.390 176.159 174.700 0.115 0.000 1.003 309 T CA 0.504 62.669 62.100 0.109 0.000 0.932 309 T CB 0.519 69.454 68.868 0.112 0.000 1.087 309 T HN 0.458 nan 8.240 nan 0.000 0.512 310 G N 1.311 110.151 108.800 0.067 0.000 2.166 310 G HA2 -0.215 3.743 3.960 -0.004 0.000 0.260 310 G HA3 -0.215 3.743 3.960 -0.004 0.000 0.260 310 G C 0.183 175.116 174.900 0.055 0.000 0.986 310 G CA 0.389 45.524 45.100 0.058 0.000 0.683 310 G HN 1.401 nan 8.290 nan 0.000 0.527 311 V N 0.022 119.968 119.914 0.052 0.000 2.427 311 V HA 0.771 4.888 4.120 -0.004 0.000 0.286 311 V C -1.947 174.150 176.094 0.005 0.000 1.034 311 V CA -2.381 59.946 62.300 0.045 0.000 0.893 311 V CB 1.609 33.478 31.823 0.076 0.000 0.982 311 V HN 0.031 nan 8.190 nan 0.000 0.452 312 P HA 0.133 nan 4.420 nan 0.000 0.265 312 P C 0.227 177.514 177.300 -0.021 0.000 1.187 312 P CA 0.201 63.300 63.100 -0.001 0.000 0.766 312 P CB 0.484 32.191 31.700 0.012 0.000 0.820 313 K N 2.513 122.897 120.400 -0.026 0.000 2.103 313 K HA -0.194 4.124 4.320 -0.004 0.000 0.207 313 K C 1.542 178.132 176.600 -0.017 0.000 1.048 313 K CA 1.910 58.172 56.287 -0.041 0.000 0.930 313 K CB -0.202 32.287 32.500 -0.018 0.000 0.716 313 K HN 0.614 nan 8.250 nan 0.000 0.444 314 D N -0.466 119.936 120.400 0.004 0.000 2.194 314 D HA -0.176 4.461 4.640 -0.004 0.000 0.204 314 D C 1.575 177.883 176.300 0.014 0.000 0.964 314 D CA 0.992 55.005 54.000 0.021 0.000 0.846 314 D CB -0.142 40.673 40.800 0.025 0.000 0.962 314 D HN 0.286 nan 8.370 nan 0.000 0.490 315 Q N 0.210 120.012 119.800 0.004 0.000 2.084 315 Q HA -0.040 4.298 4.340 -0.004 0.000 0.202 315 Q C 2.678 178.670 176.000 -0.013 0.000 0.978 315 Q CA 0.930 56.733 55.803 0.000 0.000 0.844 315 Q CB -0.023 28.721 28.738 0.009 0.000 0.898 315 Q HN 0.343 nan 8.270 nan 0.000 0.426 316 L N 0.477 121.680 121.223 -0.032 0.000 2.042 316 L HA -0.224 4.114 4.340 -0.004 0.000 0.210 316 L C 2.181 179.078 176.870 0.045 0.000 1.076 316 L CA 1.315 56.129 54.840 -0.042 0.000 0.749 316 L CB -0.373 41.545 42.059 -0.236 0.000 0.893 316 L HN 0.236 nan 8.230 nan 0.000 0.432 317 E N -0.297 119.923 120.200 0.033 0.000 2.072 317 E HA -0.237 4.111 4.350 -0.004 0.000 0.191 317 E C 2.251 178.811 176.600 -0.067 0.000 0.985 317 E CA 0.987 57.392 56.400 0.007 0.000 0.801 317 E CB -0.101 29.672 29.700 0.120 0.000 0.750 317 E HN 0.551 nan 8.360 nan 0.000 0.452 318 Q N 0.661 120.451 119.800 -0.016 0.000 2.112 318 Q HA -0.183 4.155 4.340 -0.004 0.000 0.206 318 Q C 2.360 178.329 176.000 -0.051 0.000 0.987 318 Q CA 1.119 56.908 55.803 -0.022 0.000 0.858 318 Q CB -0.165 28.567 28.738 -0.009 0.000 0.905 318 Q HN 0.293 nan 8.270 nan 0.000 0.420 319 L N 0.162 121.358 121.223 -0.044 0.000 2.027 319 L HA -0.130 4.208 4.340 -0.004 0.000 0.206 319 L C 2.122 179.006 176.870 0.024 0.000 1.074 319 L CA 1.790 56.617 54.840 -0.023 0.000 0.745 319 L CB -0.655 41.400 42.059 -0.006 0.000 0.898 319 L HN 0.239 nan 8.230 nan 0.000 0.433 320 A N -0.779 121.994 122.820 -0.079 0.000 2.066 320 A HA -0.234 4.084 4.320 -0.004 0.000 0.218 320 A C 2.034 179.477 177.584 -0.236 0.000 1.157 320 A CA 1.306 53.219 52.037 -0.205 0.000 0.670 320 A CB -0.411 18.142 19.000 -0.744 0.000 0.804 320 A HN 0.573 nan 8.150 nan 0.000 0.453 321 Q N 0.280 119.930 119.800 -0.250 0.000 2.167 321 Q HA -0.043 4.295 4.340 -0.004 0.000 0.202 321 Q C 1.681 177.689 176.000 0.014 0.000 0.970 321 Q CA 1.493 57.290 55.803 -0.010 0.000 0.855 321 Q CB -0.649 28.107 28.738 0.030 0.000 0.911 321 Q HN 0.668 nan 8.270 nan 0.000 0.438 322 L N -1.017 120.166 121.223 -0.066 0.000 2.046 322 L HA -0.174 4.163 4.340 -0.004 0.000 0.208 322 L C 1.971 178.716 176.870 -0.208 0.000 1.077 322 L CA 1.335 56.074 54.840 -0.168 0.000 0.747 322 L CB -0.599 41.283 42.059 -0.295 0.000 0.896 322 L HN 0.228 nan 8.230 nan 0.000 0.432 323 Y N -0.283 119.993 120.300 -0.039 0.000 2.242 323 Y HA -0.148 4.399 4.550 -0.004 0.000 0.291 323 Y C 2.623 178.508 175.900 -0.024 0.000 1.137 323 Y CA 0.977 59.044 58.100 -0.056 0.000 1.181 323 Y CB -0.395 38.033 38.460 -0.053 0.000 0.989 323 Y HN 0.111 nan 8.280 nan 0.000 0.527 324 A N -0.546 122.389 122.820 0.191 0.000 1.970 324 A HA -0.110 4.208 4.320 -0.004 0.000 0.216 324 A C 0.800 178.436 177.584 0.088 0.000 1.170 324 A CA 0.654 52.791 52.037 0.167 0.000 0.645 324 A CB -0.472 18.710 19.000 0.304 0.000 0.816 324 A HN 0.263 nan 8.150 nan 0.000 0.447 325 D N 0.187 120.622 120.400 0.059 0.000 2.401 325 D HA 0.126 4.764 4.640 -0.004 0.000 0.254 325 D C -1.784 174.517 176.300 0.003 0.000 1.192 325 D CA -1.780 52.234 54.000 0.024 0.000 0.885 325 D CB 1.143 41.946 40.800 0.004 0.000 1.147 325 D HN 0.078 nan 8.370 nan 0.000 0.478 326 P HA -0.007 nan 4.420 nan 0.000 0.229 326 P C 0.397 177.692 177.300 -0.008 0.000 1.160 326 P CA 0.600 63.701 63.100 0.000 0.000 0.777 326 P CB 0.322 32.025 31.700 0.006 0.000 0.814 327 N N -0.665 118.027 118.700 -0.014 0.000 2.236 327 N HA 0.038 4.775 4.740 -0.004 0.000 0.196 327 N C 0.344 175.831 175.510 -0.039 0.000 1.114 327 N CA 0.142 53.179 53.050 -0.021 0.000 0.859 327 N CB 0.439 38.916 38.487 -0.016 0.000 0.982 327 N HN 0.215 nan 8.380 nan 0.000 0.493 328 K N 2.092 122.461 120.400 -0.051 0.000 2.273 328 K HA 0.175 4.492 4.320 -0.004 0.000 0.287 328 K C -0.082 176.459 176.600 -0.098 0.000 1.089 328 K CA -0.092 56.145 56.287 -0.083 0.000 0.909 328 K CB 0.874 33.311 32.500 -0.104 0.000 1.123 328 K HN -0.039 nan 8.250 nan 0.000 0.473 329 K N 2.443 122.785 120.400 -0.098 0.000 2.419 329 K HA 0.069 4.387 4.320 -0.004 0.000 0.282 329 K C -0.205 176.300 176.600 -0.158 0.000 1.056 329 K CA 0.005 56.232 56.287 -0.100 0.000 1.035 329 K CB 0.530 32.971 32.500 -0.098 0.000 0.921 329 K HN 0.190 nan 8.250 nan 0.000 0.472 330 V N 5.662 125.508 119.914 -0.113 0.000 2.555 330 V HA 0.400 4.518 4.120 -0.004 0.000 0.302 330 V C -0.023 176.066 176.094 -0.008 0.000 1.038 330 V CA -0.869 61.342 62.300 -0.149 0.000 0.887 330 V CB 1.626 33.310 31.823 -0.232 0.000 0.991 330 V HN 0.576 nan 8.190 nan 0.000 0.434 331 I N 3.012 123.500 120.570 -0.137 0.000 2.378 331 I HA 0.414 4.582 4.170 -0.004 0.000 0.291 331 I C 0.113 176.239 176.117 0.016 0.000 0.992 331 I CA 0.022 61.274 61.300 -0.079 0.000 1.154 331 I CB 1.950 39.792 38.000 -0.263 0.000 1.315 331 I HN 0.532 nan 8.210 nan 0.000 0.448 332 S N 5.532 121.350 115.700 0.197 0.000 2.462 332 S HA 0.545 5.013 4.470 -0.004 0.000 0.294 332 S C -0.936 173.846 174.600 0.303 0.000 1.144 332 S CA -0.462 58.005 58.200 0.444 0.000 1.088 332 S CB 0.622 64.340 63.200 0.862 0.000 1.009 332 S HN 0.318 nan 8.310 nan 0.000 0.484 333 Y N 1.858 122.481 120.300 0.539 0.000 2.393 333 Y HA 0.618 5.166 4.550 -0.004 0.000 0.341 333 Y C -0.331 175.831 175.900 0.437 0.000 0.988 333 Y CA -1.081 57.233 58.100 0.357 0.000 1.078 333 Y CB 1.471 40.063 38.460 0.220 0.000 1.203 333 Y HN 0.882 nan 8.280 nan 0.000 0.453 334 W N 1.437 122.922 121.300 0.308 0.000 3.118 334 W HA 0.838 5.496 4.660 -0.004 0.000 0.328 334 W C -1.439 175.191 176.519 0.184 0.000 1.239 334 W CA -0.717 56.687 57.345 0.099 0.000 1.176 334 W CB 0.975 30.312 29.460 -0.205 0.000 1.433 334 W HN 0.387 nan 8.180 nan 0.000 0.562 335 T N 0.608 115.372 114.554 0.351 0.000 1.999 335 T HA 0.131 4.479 4.350 -0.004 0.000 0.176 335 T C 1.120 176.056 174.700 0.393 0.000 0.685 335 T CA -0.455 61.828 62.100 0.305 0.000 1.245 335 T CB -0.026 68.998 68.868 0.260 0.000 2.785 335 T HN 0.426 nan 8.240 nan 0.000 0.425 336 M N 1.560 121.355 119.600 0.324 0.000 2.394 336 M HA 0.174 4.652 4.480 -0.004 0.000 0.264 336 M C 2.436 178.970 176.300 0.389 0.000 1.073 336 M CA 1.077 56.579 55.300 0.336 0.000 1.111 336 M CB -1.855 30.904 32.600 0.264 0.000 1.401 336 M HN 0.706 nan 8.290 nan 0.000 0.448 337 G N -0.170 108.864 108.800 0.390 0.000 2.476 337 G HA2 -0.241 3.717 3.960 -0.004 0.000 0.218 337 G HA3 -0.241 3.717 3.960 -0.004 0.000 0.218 337 G C 1.320 176.599 174.900 0.631 0.000 1.164 337 G CA 0.642 46.015 45.100 0.455 0.000 0.768 337 G HN 0.300 nan 8.290 nan 0.000 0.560 338 F N 1.187 121.338 119.950 0.334 0.000 2.293 338 F HA 0.135 4.659 4.527 -0.004 0.000 0.297 338 F C 2.354 178.242 175.800 0.148 0.000 1.089 338 F CA 0.514 58.596 58.000 0.136 0.000 1.377 338 F CB -0.300 38.689 39.000 -0.019 0.000 1.051 338 F HN 0.081 nan 8.300 nan 0.000 0.511 339 N N -0.315 118.667 118.700 0.471 0.000 2.305 339 N HA -0.039 4.699 4.740 -0.004 0.000 0.179 339 N C 0.434 176.134 175.510 0.317 0.000 1.019 339 N CA 0.540 53.808 53.050 0.363 0.000 0.869 339 N CB -0.384 38.340 38.487 0.395 0.000 1.000 339 N HN 0.251 nan 8.380 nan 0.000 0.431 340 Q N 1.008 121.024 119.800 0.360 0.000 2.678 340 Q HA 0.143 4.481 4.340 -0.004 0.000 0.222 340 Q C -0.922 175.268 176.000 0.317 0.000 1.281 340 Q CA 0.137 56.147 55.803 0.345 0.000 0.994 340 Q CB 0.037 29.034 28.738 0.431 0.000 1.452 340 Q HN 0.258 nan 8.270 nan 0.000 0.570 341 H N 0.019 119.158 119.070 0.116 0.000 3.151 341 H HA 0.038 4.592 4.556 -0.004 0.000 0.333 341 H C 0.191 175.510 175.328 -0.015 0.000 1.093 341 H CA -0.155 55.936 56.048 0.073 0.000 1.342 341 H CB 1.442 31.256 29.762 0.087 0.000 1.983 341 H HN 0.448 nan 8.280 nan 0.000 0.503 342 T N 1.147 115.728 114.554 0.044 0.000 3.072 342 T HA 0.071 4.419 4.350 -0.004 0.000 0.266 342 T C 0.950 175.588 174.700 -0.104 0.000 1.127 342 T CA 0.472 62.580 62.100 0.014 0.000 1.107 342 T CB 0.219 69.174 68.868 0.145 0.000 0.910 342 T HN 0.317 nan 8.240 nan 0.000 0.513 343 R N 0.861 121.450 120.500 0.149 0.000 2.816 343 R HA 0.399 4.737 4.340 -0.004 0.000 0.382 343 R C 1.627 177.760 176.300 -0.279 0.000 1.140 343 R CA -0.016 55.926 56.100 -0.263 0.000 1.050 343 R CB 0.188 30.292 30.300 -0.325 0.000 1.396 343 R HN 0.458 nan 8.270 nan 0.000 0.583 344 G N 0.032 108.722 108.800 -0.184 0.000 2.403 344 G HA2 -0.152 3.806 3.960 -0.004 0.000 0.216 344 G HA3 -0.152 3.806 3.960 -0.004 0.000 0.216 344 G C 1.283 176.032 174.900 -0.251 0.000 1.154 344 G CA 0.321 45.256 45.100 -0.275 0.000 0.784 344 G HN 0.146 nan 8.290 nan 0.000 0.538 345 V N -0.112 119.691 119.914 -0.184 0.000 2.295 345 V HA -0.161 3.957 4.120 -0.004 0.000 0.246 345 V C 2.580 178.627 176.094 -0.080 0.000 1.049 345 V CA 1.611 63.841 62.300 -0.117 0.000 1.024 345 V CB -0.582 31.182 31.823 -0.099 0.000 0.648 345 V HN 0.482 nan 8.190 nan 0.000 0.447 346 W N 0.354 121.465 121.300 -0.315 0.000 2.335 346 W HA -0.183 4.475 4.660 -0.004 0.000 0.311 346 W C 2.778 179.010 176.519 -0.478 0.000 1.213 346 W CA 1.478 58.622 57.345 -0.336 0.000 1.274 346 W CB -1.671 27.638 29.460 -0.252 0.000 1.148 346 W HN 0.285 nan 8.180 nan 0.000 0.498 347 A N 0.580 123.144 122.820 -0.427 0.000 1.884 347 A HA -0.308 4.010 4.320 -0.004 0.000 0.219 347 A C 2.082 179.058 177.584 -1.013 0.000 1.197 347 A CA 2.269 53.720 52.037 -0.976 0.000 0.637 347 A CB -1.204 16.914 19.000 -1.470 0.000 0.827 347 A HN 0.421 nan 8.150 nan 0.000 0.450 348 N N -0.231 118.040 118.700 -0.714 0.000 2.039 348 N HA -0.178 4.560 4.740 -0.004 0.000 0.193 348 N C 1.684 176.916 175.510 -0.464 0.000 1.044 348 N CA 1.799 54.464 53.050 -0.642 0.000 0.847 348 N CB -0.518 37.846 38.487 -0.205 0.000 1.030 348 N HN 0.688 nan 8.380 nan 0.000 0.422 349 N N 1.117 119.708 118.700 -0.181 0.000 2.091 349 N HA -0.150 4.587 4.740 -0.004 0.000 0.193 349 N C 1.959 177.382 175.510 -0.145 0.000 1.021 349 N CA 0.818 53.838 53.050 -0.050 0.000 0.862 349 N CB -0.191 38.211 38.487 -0.141 0.000 1.018 349 N HN 0.180 nan 8.380 nan 0.000 0.429 350 L N 0.239 121.278 121.223 -0.308 0.000 2.046 350 L HA -0.130 4.207 4.340 -0.004 0.000 0.208 350 L C 2.376 179.008 176.870 -0.396 0.000 1.077 350 L CA 0.803 55.445 54.840 -0.329 0.000 0.747 350 L CB -0.414 41.408 42.059 -0.396 0.000 0.896 350 L HN 0.140 nan 8.230 nan 0.000 0.432 351 V N -1.349 118.197 119.914 -0.613 0.000 2.667 351 V HA -0.274 3.844 4.120 -0.004 0.000 0.252 351 V C 2.227 178.144 176.094 -0.296 0.000 1.065 351 V CA 1.413 63.353 62.300 -0.601 0.000 1.083 351 V CB -0.333 30.979 31.823 -0.852 0.000 0.692 351 V HN 0.325 nan 8.190 nan 0.000 0.468 352 Y N 0.986 121.207 120.300 -0.131 0.000 2.242 352 Y HA -0.113 4.435 4.550 -0.003 0.000 0.291 352 Y C 2.479 178.412 175.900 0.054 0.000 1.137 352 Y CA 1.605 59.733 58.100 0.047 0.000 1.181 352 Y CB -0.812 37.660 38.460 0.021 0.000 0.989 352 Y HN 0.367 nan 8.280 nan 0.000 0.527 353 N N 0.391 119.152 118.700 0.103 0.000 2.036 353 N HA -0.206 4.532 4.740 -0.004 0.000 0.195 353 N C 1.971 177.521 175.510 0.066 0.000 1.037 353 N CA 1.532 54.621 53.050 0.065 0.000 0.855 353 N CB -0.918 37.594 38.487 0.041 0.000 1.033 353 N HN 0.311 nan 8.380 nan 0.000 0.423 354 L N -0.033 121.169 121.223 -0.034 0.000 2.021 354 L HA -0.243 4.095 4.340 -0.004 0.000 0.215 354 L C 2.118 178.952 176.870 -0.061 0.000 1.074 354 L CA 1.628 56.375 54.840 -0.155 0.000 0.760 354 L CB -0.669 41.100 42.059 -0.484 0.000 0.889 354 L HN 0.307 nan 8.230 nan 0.000 0.433 355 H N -0.879 118.253 119.070 0.104 0.000 2.428 355 H HA -0.035 4.519 4.556 -0.004 0.000 0.296 355 H C 2.225 177.602 175.328 0.081 0.000 1.062 355 H CA 0.986 57.130 56.048 0.161 0.000 1.350 355 H CB 0.089 30.012 29.762 0.268 0.000 1.403 355 H HN 0.190 nan 8.280 nan 0.000 0.533 356 L N -0.331 121.028 121.223 0.228 0.000 2.240 356 L HA -0.054 4.284 4.340 -0.004 0.000 0.211 356 L C 1.705 178.754 176.870 0.298 0.000 1.106 356 L CA 0.501 55.496 54.840 0.258 0.000 0.793 356 L CB -0.085 42.095 42.059 0.201 0.000 0.927 356 L HN 0.288 nan 8.230 nan 0.000 0.446 357 L N -0.537 120.796 121.223 0.184 0.000 2.156 357 L HA -0.112 4.226 4.340 -0.004 0.000 0.208 357 L C 2.409 179.306 176.870 0.045 0.000 1.095 357 L CA 1.565 56.477 54.840 0.120 0.000 0.770 357 L CB -0.445 41.639 42.059 0.041 0.000 0.914 357 L HN 0.389 nan 8.230 nan 0.000 0.439 358 T N -4.646 109.911 114.554 0.004 0.000 3.022 358 T HA 0.233 4.581 4.350 -0.004 0.000 0.250 358 T C 1.418 176.042 174.700 -0.128 0.000 1.060 358 T CA 0.392 62.470 62.100 -0.036 0.000 1.013 358 T CB 0.610 69.468 68.868 -0.017 0.000 0.982 358 T HN 0.362 nan 8.240 nan 0.000 0.508 359 G N 2.102 110.698 108.800 -0.340 0.000 2.160 359 G HA2 -0.260 3.698 3.960 -0.004 0.000 0.251 359 G HA3 -0.260 3.698 3.960 -0.004 0.000 0.251 359 G C -0.072 174.495 174.900 -0.555 0.000 1.008 359 G CA -0.016 44.520 45.100 -0.941 0.000 0.724 359 G HN 0.590 nan 8.290 nan 0.000 0.514 360 K N 0.090 120.358 120.400 -0.219 0.000 2.231 360 K HA 0.679 4.997 4.320 -0.004 0.000 0.255 360 K C -0.133 176.590 176.600 0.204 0.000 1.108 360 K CA -0.194 56.104 56.287 0.018 0.000 0.997 360 K CB 0.777 33.320 32.500 0.071 0.000 1.549 360 K HN 0.448 nan 8.250 nan 0.000 0.419 361 I N -0.455 120.187 120.570 0.119 0.000 2.800 361 I HA -0.039 4.129 4.170 -0.004 0.000 0.294 361 I C -0.664 175.656 176.117 0.338 0.000 1.538 361 I CA -0.181 61.272 61.300 0.254 0.000 1.010 361 I CB 2.125 40.313 38.000 0.314 0.000 1.381 361 I HN 0.489 nan 8.210 nan 0.000 0.462 362 S N 2.928 118.858 115.700 0.384 0.000 3.521 362 S HA -0.173 4.295 4.470 -0.004 0.000 0.328 362 S C -0.364 174.335 174.600 0.166 0.000 1.165 362 S CA 0.747 59.192 58.200 0.408 0.000 0.941 362 S CB -1.180 62.328 63.200 0.515 0.000 0.951 362 S HN 0.577 nan 8.310 nan 0.000 0.539 363 Q N -0.361 119.423 119.800 -0.027 0.000 2.375 363 Q HA 0.490 4.828 4.340 -0.004 0.000 0.271 363 Q C -2.857 172.773 176.000 -0.615 0.000 1.074 363 Q CA -2.425 53.148 55.803 -0.384 0.000 0.808 363 Q CB 1.071 29.729 28.738 -0.134 0.000 1.327 363 Q HN 0.021 nan 8.270 nan 0.000 0.441 364 P HA 0.020 nan 4.420 nan 0.000 0.261 364 P C 0.672 177.890 177.300 -0.138 0.000 1.183 364 P CA 1.310 64.060 63.100 -0.585 0.000 0.761 364 P CB 0.319 31.633 31.700 -0.643 0.000 0.785 365 G N 1.838 110.678 108.800 0.067 0.000 2.179 365 G HA2 -0.255 3.703 3.960 -0.004 0.000 0.260 365 G HA3 -0.255 3.703 3.960 -0.004 0.000 0.260 365 G C 0.041 174.932 174.900 -0.015 0.000 0.977 365 G CA 0.023 45.135 45.100 0.019 0.000 0.641 365 G HN 0.804 nan 8.290 nan 0.000 0.533 366 C N 0.549 119.870 119.300 0.035 0.000 2.679 366 C HA 0.841 5.299 4.460 -0.004 0.000 0.354 366 C C 0.348 175.436 174.990 0.163 0.000 1.067 366 C CA 0.806 59.861 59.018 0.062 0.000 1.317 366 C CB 0.435 28.190 27.740 0.024 0.000 1.843 366 C HN 1.994 nan 8.230 nan 0.000 0.459 367 G N 6.230 115.158 108.800 0.213 0.000 2.377 367 G HA2 0.499 4.456 3.960 -0.004 0.000 0.297 367 G HA3 0.499 4.456 3.960 -0.004 0.000 0.297 367 G C -3.620 171.233 174.900 -0.078 0.000 1.547 367 G CA -0.506 44.702 45.100 0.180 0.000 0.833 367 G HN 0.431 nan 8.290 nan 0.000 0.583 368 P HA 0.446 nan 4.420 nan 0.000 0.287 368 P C -1.285 176.138 177.300 0.205 0.000 1.281 368 P CA -0.311 62.698 63.100 -0.153 0.000 0.781 368 P CB 1.076 32.749 31.700 -0.045 0.000 0.903 369 F N 2.850 122.767 119.950 -0.054 0.000 2.552 369 F HA 0.257 4.782 4.527 -0.004 0.000 0.369 369 F C 0.530 176.009 175.800 -0.534 0.000 1.112 369 F CA -0.709 57.219 58.000 -0.120 0.000 1.129 369 F CB 1.033 40.051 39.000 0.031 0.000 1.360 369 F HN 0.176 nan 8.300 nan 0.000 0.473 370 S N 6.448 121.515 115.700 -1.055 0.000 2.571 370 S HA 0.234 4.702 4.470 -0.004 0.000 0.297 370 S C -0.014 174.300 174.600 -0.476 0.000 1.234 370 S CA -0.338 57.120 58.200 -1.236 0.000 1.120 370 S CB -0.282 62.684 63.200 -0.389 0.000 0.923 370 S HN 0.609 nan 8.310 nan 0.000 0.504 371 L N 4.860 125.932 121.223 -0.252 0.000 2.418 371 L HA 0.360 4.698 4.340 -0.004 0.000 0.265 371 L C 0.731 177.649 176.870 0.081 0.000 1.143 371 L CA -0.346 54.512 54.840 0.030 0.000 0.809 371 L CB 1.127 43.097 42.059 -0.148 0.000 1.124 371 L HN 0.520 nan 8.230 nan 0.000 0.456 372 T N 1.068 115.742 114.554 0.199 0.000 2.823 372 T HA 0.284 4.631 4.350 -0.004 0.000 0.279 372 T C 0.900 175.823 174.700 0.372 0.000 0.998 372 T CA -0.224 62.032 62.100 0.261 0.000 0.994 372 T CB 1.787 70.798 68.868 0.239 0.000 0.960 372 T HN 0.807 nan 8.240 nan 0.000 0.448 373 G N 1.671 110.664 108.800 0.322 0.000 2.395 373 G HA2 -0.010 3.948 3.960 -0.004 0.000 0.214 373 G HA3 -0.010 3.948 3.960 -0.004 0.000 0.214 373 G C 0.498 175.592 174.900 0.324 0.000 1.177 373 G CA 0.359 45.635 45.100 0.294 0.000 0.794 373 G HN 0.597 nan 8.290 nan 0.000 0.532 374 Q N 0.359 120.345 119.800 0.310 0.000 2.306 374 Q HA 0.184 4.522 4.340 -0.004 0.000 0.241 374 Q C -1.451 174.662 176.000 0.188 0.000 0.948 374 Q CA -1.883 54.124 55.803 0.340 0.000 0.886 374 Q CB 1.883 30.784 28.738 0.271 0.000 1.227 374 Q HN 0.082 nan 8.270 nan 0.000 0.457 375 P HA -0.101 nan 4.420 nan 0.000 0.220 375 P C 0.585 177.747 177.300 -0.231 0.000 1.148 375 P CA 1.180 64.170 63.100 -0.183 0.000 0.803 375 P CB 0.406 31.763 31.700 -0.572 0.000 0.782 376 S N -2.474 113.084 115.700 -0.237 0.000 3.073 376 S HA 0.497 4.965 4.470 -0.004 0.000 0.252 376 S C 1.368 176.015 174.600 0.078 0.000 0.953 376 S CA 0.184 58.354 58.200 -0.050 0.000 1.105 376 S CB -0.546 62.636 63.200 -0.029 0.000 1.070 376 S HN 0.029 nan 8.310 nan 0.000 0.574 377 A N 0.326 123.208 122.820 0.103 0.000 1.892 377 A HA -0.144 4.174 4.320 -0.004 0.000 0.218 377 A C 2.216 179.920 177.584 0.201 0.000 1.188 377 A CA 2.115 54.247 52.037 0.158 0.000 0.631 377 A CB -1.302 17.811 19.000 0.188 0.000 0.822 377 A HN 0.719 nan 8.150 nan 0.000 0.447 378 C N -1.481 117.940 119.300 0.201 0.000 2.462 378 C HA 0.100 4.558 4.460 -0.004 0.000 0.278 378 C C 3.044 178.179 174.990 0.242 0.000 1.253 378 C CA 0.653 59.807 59.018 0.227 0.000 1.713 378 C CB -1.584 26.292 27.740 0.227 0.000 2.049 378 C HN 0.698 nan 8.230 nan 0.000 0.477 379 G N -0.455 108.485 108.800 0.233 0.000 2.421 379 G HA2 -0.060 3.897 3.960 -0.004 0.000 0.217 379 G HA3 -0.060 3.897 3.960 -0.004 0.000 0.217 379 G C 1.620 176.623 174.900 0.172 0.000 1.143 379 G CA 1.646 46.887 45.100 0.235 0.000 0.784 379 G HN 0.522 nan 8.290 nan 0.000 0.541 380 T N 0.979 115.628 114.554 0.159 0.000 3.115 380 T HA 0.329 4.677 4.350 -0.004 0.000 0.235 380 T C 2.833 177.624 174.700 0.151 0.000 0.999 380 T CA 0.930 63.107 62.100 0.129 0.000 1.276 380 T CB -0.544 68.436 68.868 0.186 0.000 0.967 380 T HN 0.236 nan 8.240 nan 0.000 0.420 381 A N 1.816 124.735 122.820 0.165 0.000 1.883 381 A HA -0.129 4.188 4.320 -0.004 0.000 0.217 381 A C 2.340 180.151 177.584 0.379 0.000 1.186 381 A CA 1.684 53.814 52.037 0.154 0.000 0.624 381 A CB -0.478 18.540 19.000 0.030 0.000 0.822 381 A HN 0.400 nan 8.150 nan 0.000 0.444 382 R N -0.848 119.877 120.500 0.375 0.000 2.066 382 R HA 0.035 4.373 4.340 -0.004 0.000 0.224 382 R C 2.195 178.609 176.300 0.190 0.000 1.122 382 R CA 1.291 57.592 56.100 0.335 0.000 0.974 382 R CB -0.261 30.189 30.300 0.251 0.000 0.871 382 R HN 0.623 nan 8.270 nan 0.000 0.435 383 E N 0.221 120.522 120.200 0.170 0.000 2.107 383 E HA -0.107 4.240 4.350 -0.004 0.000 0.191 383 E C 1.882 178.584 176.600 0.170 0.000 0.982 383 E CA 1.098 57.560 56.400 0.103 0.000 0.809 383 E CB 0.170 29.932 29.700 0.103 0.000 0.756 383 E HN 0.049 nan 8.360 nan 0.000 0.459 384 V N -0.164 119.842 119.914 0.154 0.000 2.548 384 V HA -0.008 4.110 4.120 -0.004 0.000 0.249 384 V C 1.290 177.478 176.094 0.156 0.000 1.055 384 V CA 1.145 63.511 62.300 0.110 0.000 1.065 384 V CB -0.426 31.334 31.823 -0.105 0.000 0.681 384 V HN 0.519 nan 8.190 nan 0.000 0.462 385 G N 1.479 110.386 108.800 0.178 0.000 2.414 385 G HA2 -0.201 3.756 3.960 -0.004 0.000 0.256 385 G HA3 -0.201 3.756 3.960 -0.004 0.000 0.256 385 G C 0.304 175.346 174.900 0.237 0.000 1.128 385 G CA 0.215 45.444 45.100 0.214 0.000 0.944 385 G HN 0.711 nan 8.290 nan 0.000 0.500 386 T N -1.515 113.161 114.554 0.202 0.000 3.843 386 T HA 0.650 4.997 4.350 -0.004 0.000 0.227 386 T C 0.196 174.808 174.700 -0.148 0.000 1.043 386 T CA -0.327 61.800 62.100 0.046 0.000 1.012 386 T CB -0.509 68.381 68.868 0.038 0.000 1.279 386 T HN 0.409 nan 8.240 nan 0.000 0.730 387 F N -0.663 119.333 119.950 0.076 0.000 2.640 387 F HA 0.684 5.208 4.527 -0.004 0.000 0.324 387 F C 1.371 177.276 175.800 0.174 0.000 1.077 387 F CA -1.532 56.549 58.000 0.135 0.000 0.965 387 F CB 1.073 40.180 39.000 0.179 0.000 1.351 387 F HN 0.145 nan 8.300 nan 0.000 0.487 388 A N -0.094 123.012 122.820 0.478 0.000 2.121 388 A HA -0.120 4.198 4.320 -0.004 0.000 0.218 388 A C 1.341 179.145 177.584 0.366 0.000 1.154 388 A CA 1.687 53.939 52.037 0.358 0.000 0.679 388 A CB -1.032 18.160 19.000 0.321 0.000 0.795 388 A HN 0.753 nan 8.150 nan 0.000 0.458 389 H N -2.182 117.017 119.070 0.215 0.000 2.592 389 H HA 0.377 4.931 4.556 -0.004 0.000 0.279 389 H C -0.093 175.316 175.328 0.135 0.000 1.089 389 H CA -0.373 55.765 56.048 0.150 0.000 1.150 389 H CB -0.054 29.775 29.762 0.111 0.000 1.575 389 H HN 0.138 nan 8.280 nan 0.000 0.547 390 R N 0.822 121.292 120.500 -0.049 0.000 2.778 390 R HA 0.627 4.965 4.340 -0.004 0.000 0.277 390 R C -0.630 175.672 176.300 0.003 0.000 0.977 390 R CA -0.839 55.185 56.100 -0.127 0.000 0.950 390 R CB 2.608 32.819 30.300 -0.150 0.000 1.165 390 R HN 0.149 nan 8.270 nan 0.000 0.474 391 L N 1.672 122.866 121.223 -0.048 0.000 2.327 391 L HA 0.518 4.856 4.340 -0.004 0.000 0.258 391 L C -2.252 174.534 176.870 -0.141 0.000 1.024 391 L CA -2.393 52.407 54.840 -0.067 0.000 0.825 391 L CB 2.567 44.550 42.059 -0.128 0.000 1.386 391 L HN 0.250 nan 8.230 nan 0.000 0.417 392 P HA -0.065 nan 4.420 nan 0.000 0.269 392 P C -0.218 176.903 177.300 -0.297 0.000 1.205 392 P CA 0.633 63.635 63.100 -0.164 0.000 0.780 392 P CB 0.380 31.898 31.700 -0.304 0.000 0.858 393 A N 2.154 124.787 122.820 -0.312 0.000 2.846 393 A HA -0.221 4.097 4.320 -0.004 0.000 0.287 393 A C 0.809 178.012 177.584 -0.636 0.000 1.469 393 A CA 1.062 52.715 52.037 -0.639 0.000 0.757 393 A CB -2.546 16.132 19.000 -0.537 0.000 1.033 393 A HN 0.656 nan 8.150 nan 0.000 0.516 394 D N -3.533 116.632 120.400 -0.390 0.000 3.028 394 D HA -0.194 4.443 4.640 -0.004 0.000 0.207 394 D C 0.336 176.543 176.300 -0.155 0.000 1.100 394 D CA 1.952 55.834 54.000 -0.197 0.000 0.995 394 D CB -1.684 39.081 40.800 -0.057 0.000 1.108 394 D HN 0.892 nan 8.370 nan 0.000 0.421 395 M N 0.311 119.756 119.600 -0.259 0.000 2.241 395 M HA 0.289 4.767 4.480 -0.004 0.000 0.335 395 M C 0.718 177.007 176.300 -0.019 0.000 1.122 395 M CA -0.246 54.894 55.300 -0.266 0.000 1.164 395 M CB 1.469 33.754 32.600 -0.526 0.000 1.459 395 M HN -0.008 nan 8.290 nan 0.000 0.461 396 V N 1.084 121.142 119.914 0.240 0.000 2.604 396 V HA 0.380 4.497 4.120 -0.004 0.000 0.305 396 V C 0.614 176.784 176.094 0.127 0.000 1.043 396 V CA -0.887 61.491 62.300 0.130 0.000 0.888 396 V CB 1.339 33.248 31.823 0.143 0.000 0.995 396 V HN 0.842 nan 8.190 nan 0.000 0.429 397 V N 0.217 120.190 119.914 0.099 0.000 3.026 397 V HA -0.100 4.018 4.120 -0.004 0.000 0.265 397 V C 1.867 178.010 176.094 0.081 0.000 1.121 397 V CA 2.356 64.714 62.300 0.097 0.000 1.142 397 V CB -1.291 30.603 31.823 0.118 0.000 0.730 397 V HN 1.028 nan 8.190 nan 0.000 0.503 398 T N 0.573 115.174 114.554 0.078 0.000 3.088 398 T HA 0.065 4.413 4.350 -0.004 0.000 0.259 398 T C 0.858 175.559 174.700 0.002 0.000 1.122 398 T CA 0.434 62.566 62.100 0.052 0.000 1.095 398 T CB -0.531 68.380 68.868 0.072 0.000 0.930 398 T HN 0.599 nan 8.240 nan 0.000 0.508 399 N N 1.707 120.387 118.700 -0.033 0.000 2.469 399 N HA 0.101 4.839 4.740 -0.004 0.000 0.253 399 N C 0.742 176.202 175.510 -0.082 0.000 0.970 399 N CA -0.048 52.915 53.050 -0.146 0.000 0.940 399 N CB 1.554 39.769 38.487 -0.453 0.000 1.128 399 N HN 0.288 nan 8.380 nan 0.000 0.503 400 E N 3.245 123.410 120.200 -0.058 0.000 2.209 400 E HA -0.198 4.150 4.350 -0.004 0.000 0.196 400 E C 1.004 177.598 176.600 -0.010 0.000 0.993 400 E CA 1.282 57.668 56.400 -0.022 0.000 0.819 400 E CB 0.350 30.040 29.700 -0.018 0.000 0.745 400 E HN 0.520 nan 8.360 nan 0.000 0.477 401 K N -0.799 119.580 120.400 -0.035 0.000 2.062 401 K HA -0.126 4.192 4.320 -0.004 0.000 0.205 401 K C 2.125 178.801 176.600 0.127 0.000 1.051 401 K CA 1.260 57.561 56.287 0.023 0.000 0.941 401 K CB -0.009 32.494 32.500 0.006 0.000 0.719 401 K HN 0.209 nan 8.250 nan 0.000 0.440 402 H N 0.312 119.369 119.070 -0.023 0.000 2.352 402 H HA -0.070 4.484 4.556 -0.004 0.000 0.299 402 H C 1.956 177.242 175.328 -0.069 0.000 1.097 402 H CA 1.281 57.298 56.048 -0.051 0.000 1.311 402 H CB -0.110 29.618 29.762 -0.056 0.000 1.377 402 H HN 0.115 nan 8.280 nan 0.000 0.504 403 R N 0.120 120.668 120.500 0.080 0.000 2.120 403 R HA -0.125 4.213 4.340 -0.004 0.000 0.234 403 R C 1.736 178.032 176.300 -0.007 0.000 1.123 403 R CA 1.451 57.562 56.100 0.018 0.000 0.975 403 R CB -0.079 30.234 30.300 0.022 0.000 0.866 403 R HN 0.321 nan 8.270 nan 0.000 0.446 404 D N 0.108 120.517 120.400 0.015 0.000 2.149 404 D HA -0.050 4.588 4.640 -0.004 0.000 0.201 404 D C 1.708 178.015 176.300 0.013 0.000 0.972 404 D CA 0.819 54.825 54.000 0.011 0.000 0.835 404 D CB 0.153 40.969 40.800 0.026 0.000 0.966 404 D HN 0.112 nan 8.370 nan 0.000 0.476 405 I N -0.187 120.406 120.570 0.038 0.000 2.252 405 I HA -0.277 3.891 4.170 -0.004 0.000 0.245 405 I C 2.113 178.262 176.117 0.055 0.000 1.102 405 I CA 0.570 61.925 61.300 0.091 0.000 1.385 405 I CB -0.074 38.003 38.000 0.128 0.000 1.064 405 I HN 0.204 nan 8.210 nan 0.000 0.414 406 C N 0.422 119.660 119.300 -0.104 0.000 2.476 406 C HA -0.097 4.360 4.460 -0.004 0.000 0.278 406 C C 2.659 177.429 174.990 -0.365 0.000 1.274 406 C CA 0.509 59.238 59.018 -0.482 0.000 1.713 406 C CB -0.958 26.229 27.740 -0.922 0.000 2.039 406 C HN 0.472 nan 8.230 nan 0.000 0.484 407 E N 0.828 120.958 120.200 -0.116 0.000 2.118 407 E HA -0.219 4.129 4.350 -0.004 0.000 0.195 407 E C 2.173 178.776 176.600 0.005 0.000 0.992 407 E CA 1.250 57.656 56.400 0.010 0.000 0.804 407 E CB -0.061 29.629 29.700 -0.016 0.000 0.741 407 E HN 0.594 nan 8.360 nan 0.000 0.458 408 K N 0.541 120.920 120.400 -0.034 0.000 2.025 408 K HA -0.092 4.226 4.320 -0.004 0.000 0.207 408 K C 2.204 178.746 176.600 -0.096 0.000 1.049 408 K CA 0.715 56.974 56.287 -0.047 0.000 0.933 408 K CB 0.005 32.484 32.500 -0.036 0.000 0.714 408 K HN -0.104 nan 8.250 nan 0.000 0.438 409 K N 0.009 120.310 120.400 -0.165 0.000 2.057 409 K HA -0.148 4.169 4.320 -0.004 0.000 0.207 409 K C 1.672 178.243 176.600 -0.049 0.000 1.049 409 K CA 1.171 57.275 56.287 -0.304 0.000 0.931 409 K CB 0.031 32.228 32.500 -0.506 0.000 0.714 409 K HN 0.267 nan 8.250 nan 0.000 0.440 410 W N 1.159 122.465 121.300 0.010 0.000 3.047 410 W HA 0.094 4.752 4.660 -0.004 0.000 0.250 410 W C 0.411 176.901 176.519 -0.048 0.000 1.314 410 W CA -0.037 57.309 57.345 0.001 0.000 1.540 410 W CB -1.199 28.279 29.460 0.029 0.000 1.127 410 W HN 0.351 nan 8.180 nan 0.000 0.679 411 N N 1.216 119.998 118.700 0.136 0.000 2.727 411 N HA -0.216 4.522 4.740 -0.004 0.000 0.251 411 N C -0.404 175.154 175.510 0.079 0.000 1.040 411 N CA 0.588 53.673 53.050 0.058 0.000 0.712 411 N CB -1.288 37.207 38.487 0.013 0.000 0.912 411 N HN 0.176 nan 8.380 nan 0.000 0.545 412 I N -3.224 117.387 120.570 0.069 0.000 2.910 412 I HA 0.710 4.878 4.170 -0.004 0.000 0.310 412 I C -2.466 173.567 176.117 -0.141 0.000 1.043 412 I CA -2.512 58.771 61.300 -0.027 0.000 1.053 412 I CB 1.614 39.572 38.000 -0.071 0.000 1.242 412 I HN -0.194 nan 8.210 nan 0.000 0.452 413 P HA -0.021 nan 4.420 nan 0.000 0.268 413 P C -0.357 176.836 177.300 -0.178 0.000 1.208 413 P CA 0.011 62.988 63.100 -0.205 0.000 0.777 413 P CB 0.498 32.036 31.700 -0.269 0.000 0.875 414 S N 1.686 117.323 115.700 -0.104 0.000 2.525 414 S HA 0.353 4.821 4.470 -0.004 0.000 0.285 414 S C 1.254 175.796 174.600 -0.095 0.000 1.283 414 S CA 0.915 59.067 58.200 -0.079 0.000 1.072 414 S CB -1.429 61.743 63.200 -0.046 0.000 0.867 414 S HN 0.870 nan 8.310 nan 0.000 0.492 415 G N 3.060 111.807 108.800 -0.087 0.000 2.141 415 G HA2 -0.272 3.686 3.960 -0.004 0.000 0.231 415 G HA3 -0.272 3.686 3.960 -0.004 0.000 0.231 415 G C 0.776 175.605 174.900 -0.119 0.000 0.984 415 G CA 0.987 46.041 45.100 -0.077 0.000 0.660 415 G HN 1.165 nan 8.290 nan 0.000 0.525 416 T N -0.969 113.468 114.554 -0.195 0.000 2.894 416 T HA 0.313 4.661 4.350 -0.004 0.000 0.258 416 T C 1.557 176.168 174.700 -0.148 0.000 1.043 416 T CA 0.725 62.644 62.100 -0.301 0.000 1.141 416 T CB -0.043 68.407 68.868 -0.697 0.000 0.873 416 T HN 0.525 nan 8.240 nan 0.000 0.449 417 I N 4.515 125.048 120.570 -0.061 0.000 2.668 417 I HA 0.164 4.332 4.170 -0.004 0.000 0.285 417 I C -1.960 174.178 176.117 0.035 0.000 1.168 417 I CA -1.828 59.493 61.300 0.034 0.000 1.424 417 I CB 0.674 38.727 38.000 0.088 0.000 1.377 417 I HN 0.279 nan 8.210 nan 0.000 0.560 418 P HA 0.113 nan 4.420 nan 0.000 0.278 418 P C -0.129 177.215 177.300 0.074 0.000 1.238 418 P CA -0.353 62.787 63.100 0.067 0.000 0.794 418 P CB 1.429 33.186 31.700 0.094 0.000 0.955 419 A N 2.797 125.654 122.820 0.061 0.000 2.081 419 A HA -0.004 4.314 4.320 -0.004 0.000 0.214 419 A C 1.149 178.778 177.584 0.074 0.000 1.158 419 A CA 0.644 52.717 52.037 0.060 0.000 0.724 419 A CB -0.418 18.607 19.000 0.041 0.000 0.826 419 A HN 0.541 nan 8.150 nan 0.000 0.463 420 K N 0.992 121.440 120.400 0.080 0.000 2.322 420 K HA 0.361 4.679 4.320 -0.004 0.000 0.283 420 K C -0.763 175.905 176.600 0.113 0.000 1.042 420 K CA -0.436 55.903 56.287 0.086 0.000 0.958 420 K CB 0.254 32.800 32.500 0.078 0.000 0.984 420 K HN 0.308 nan 8.250 nan 0.000 0.473 421 I N 3.876 124.519 120.570 0.121 0.000 2.752 421 I HA -0.076 4.092 4.170 -0.004 0.000 0.289 421 I C 1.262 177.473 176.117 0.156 0.000 1.197 421 I CA 0.277 61.672 61.300 0.157 0.000 1.432 421 I CB 0.632 38.723 38.000 0.153 0.000 1.359 421 I HN 0.809 nan 8.210 nan 0.000 0.571 422 G N 6.495 115.406 108.800 0.186 0.000 2.516 422 G HA2 0.431 4.389 3.960 -0.004 0.000 0.276 422 G HA3 0.431 4.389 3.960 -0.004 0.000 0.276 422 G C -0.301 174.695 174.900 0.160 0.000 1.390 422 G CA -0.813 44.392 45.100 0.175 0.000 1.050 422 G HN 0.478 nan 8.290 nan 0.000 0.519 423 L N 1.222 122.523 121.223 0.130 0.000 2.281 423 L HA 0.264 4.602 4.340 -0.004 0.000 0.285 423 L C 0.599 177.528 176.870 0.097 0.000 1.074 423 L CA -0.899 53.971 54.840 0.050 0.000 0.817 423 L CB 0.732 42.795 42.059 0.007 0.000 1.168 423 L HN 0.775 nan 8.230 nan 0.000 0.434 424 H N 1.790 120.945 119.070 0.141 0.000 2.730 424 H HA 0.278 4.832 4.556 -0.004 0.000 0.376 424 H C 1.131 176.558 175.328 0.166 0.000 1.299 424 H CA -0.034 56.113 56.048 0.164 0.000 1.447 424 H CB 0.538 30.381 29.762 0.134 0.000 1.493 424 H HN 0.651 nan 8.280 nan 0.000 0.619 425 A N 1.680 124.701 122.820 0.335 0.000 1.882 425 A HA -0.272 4.046 4.320 -0.004 0.000 0.220 425 A C 2.436 180.124 177.584 0.173 0.000 1.253 425 A CA 2.805 55.015 52.037 0.289 0.000 0.664 425 A CB -1.396 17.746 19.000 0.237 0.000 0.838 425 A HN 0.589 nan 8.150 nan 0.000 0.460 426 V N -0.572 119.490 119.914 0.248 0.000 2.515 426 V HA -0.150 3.968 4.120 -0.004 0.000 0.250 426 V C 2.969 179.038 176.094 -0.042 0.000 1.058 426 V CA 1.775 64.155 62.300 0.134 0.000 1.064 426 V CB -1.008 30.934 31.823 0.198 0.000 0.675 426 V HN 0.682 nan 8.190 nan 0.000 0.461 427 A N -0.677 121.954 122.820 -0.316 0.000 1.930 427 A HA -0.256 4.061 4.320 -0.004 0.000 0.217 427 A C 2.144 179.609 177.584 -0.198 0.000 1.175 427 A CA 1.652 53.453 52.037 -0.393 0.000 0.627 427 A CB -0.372 18.145 19.000 -0.806 0.000 0.815 427 A HN 0.619 nan 8.150 nan 0.000 0.443 428 Q N -0.235 119.479 119.800 -0.143 0.000 2.084 428 Q HA -0.200 4.138 4.340 -0.004 0.000 0.202 428 Q C 1.511 177.404 176.000 -0.178 0.000 0.978 428 Q CA 1.448 57.164 55.803 -0.144 0.000 0.844 428 Q CB -0.282 28.413 28.738 -0.072 0.000 0.898 428 Q HN 0.565 nan 8.270 nan 0.000 0.426 429 D N 0.550 120.892 120.400 -0.096 0.000 2.106 429 D HA -0.169 4.468 4.640 -0.004 0.000 0.191 429 D C 1.906 178.173 176.300 -0.056 0.000 0.997 429 D CA 1.318 55.286 54.000 -0.053 0.000 0.834 429 D CB -0.124 40.659 40.800 -0.029 0.000 0.956 429 D HN 0.179 nan 8.370 nan 0.000 0.448 430 R N 0.323 120.786 120.500 -0.062 0.000 2.092 430 R HA 0.020 4.358 4.340 -0.004 0.000 0.231 430 R C 2.274 178.543 176.300 -0.052 0.000 1.119 430 R CA 1.154 57.225 56.100 -0.048 0.000 0.970 430 R CB -0.183 30.090 30.300 -0.044 0.000 0.864 430 R HN 0.106 nan 8.270 nan 0.000 0.440 431 A N 0.906 123.680 122.820 -0.077 0.000 1.897 431 A HA -0.104 4.214 4.320 -0.004 0.000 0.215 431 A C 1.938 179.478 177.584 -0.073 0.000 1.181 431 A CA 0.888 52.883 52.037 -0.070 0.000 0.620 431 A CB -0.292 18.660 19.000 -0.080 0.000 0.821 431 A HN 0.074 nan 8.150 nan 0.000 0.443 432 L N 0.070 121.228 121.223 -0.108 0.000 1.989 432 L HA -0.164 4.174 4.340 -0.004 0.000 0.211 432 L C 2.390 179.249 176.870 -0.018 0.000 1.071 432 L CA 2.442 57.230 54.840 -0.088 0.000 0.749 432 L CB -1.150 40.851 42.059 -0.097 0.000 0.890 432 L HN 0.468 nan 8.230 nan 0.000 0.431 433 K N 0.091 120.487 120.400 -0.006 0.000 2.160 433 K HA -0.187 4.131 4.320 -0.004 0.000 0.206 433 K C 1.311 177.913 176.600 0.004 0.000 1.047 433 K CA 1.599 57.891 56.287 0.008 0.000 0.930 433 K CB -0.235 32.265 32.500 0.000 0.000 0.720 433 K HN 0.265 nan 8.250 nan 0.000 0.450 434 D N -1.079 119.316 120.400 -0.007 0.000 2.340 434 D HA 0.140 4.777 4.640 -0.004 0.000 0.220 434 D C 0.809 177.108 176.300 -0.001 0.000 1.039 434 D CA 0.889 54.886 54.000 -0.004 0.000 0.866 434 D CB 0.274 41.070 40.800 -0.008 0.000 0.913 434 D HN 0.416 nan 8.370 nan 0.000 0.523 435 G N 1.303 110.102 108.800 -0.002 0.000 2.166 435 G HA2 -0.407 3.551 3.960 -0.004 0.000 0.260 435 G HA3 -0.407 3.551 3.960 -0.004 0.000 0.260 435 G C 1.248 176.146 174.900 -0.004 0.000 0.986 435 G CA 0.690 45.791 45.100 0.002 0.000 0.683 435 G HN 0.354 nan 8.290 nan 0.000 0.527 436 K N -1.050 119.342 120.400 -0.013 0.000 2.186 436 K HA 0.263 4.581 4.320 -0.004 0.000 0.202 436 K C 1.138 177.728 176.600 -0.017 0.000 1.052 436 K CA 0.348 56.629 56.287 -0.010 0.000 0.965 436 K CB 0.225 32.719 32.500 -0.009 0.000 0.746 436 K HN 0.395 nan 8.250 nan 0.000 0.457 437 L N 1.857 123.055 121.223 -0.042 0.000 2.262 437 L HA 0.160 4.498 4.340 -0.004 0.000 0.288 437 L C -0.265 176.573 176.870 -0.053 0.000 1.035 437 L CA -0.011 54.795 54.840 -0.057 0.000 0.820 437 L CB 0.862 42.846 42.059 -0.125 0.000 1.204 437 L HN 0.178 nan 8.230 nan 0.000 0.424 438 N N 2.078 120.763 118.700 -0.025 0.000 2.348 438 N HA 0.108 4.846 4.740 -0.004 0.000 0.183 438 N C -0.822 174.696 175.510 0.014 0.000 1.094 438 N CA -0.066 52.982 53.050 -0.003 0.000 0.885 438 N CB 1.141 39.627 38.487 -0.001 0.000 1.065 438 N HN 0.231 nan 8.380 nan 0.000 0.472 439 V N 0.897 120.794 119.914 -0.028 0.000 2.483 439 V HA 0.352 4.469 4.120 -0.004 0.000 0.297 439 V C -1.510 174.621 176.094 0.062 0.000 1.027 439 V CA -0.852 61.413 62.300 -0.058 0.000 0.855 439 V CB 1.485 33.077 31.823 -0.384 0.000 0.995 439 V HN 0.124 nan 8.190 nan 0.000 0.424 440 Y N 4.445 124.715 120.300 -0.050 0.000 2.315 440 Y HA 0.489 5.037 4.550 -0.004 0.000 0.324 440 Y C -1.485 174.484 175.900 0.116 0.000 1.062 440 Y CA -0.720 57.380 58.100 0.001 0.000 1.159 440 Y CB 1.476 39.840 38.460 -0.160 0.000 1.145 440 Y HN 0.745 nan 8.280 nan 0.000 0.442 441 W N 7.447 128.652 121.300 -0.159 0.000 2.318 441 W HA 0.483 5.141 4.660 -0.004 0.000 0.315 441 W C -1.134 175.245 176.519 -0.234 0.000 1.033 441 W CA -0.852 56.451 57.345 -0.071 0.000 1.275 441 W CB 1.596 31.221 29.460 0.275 0.000 1.250 441 W HN 0.420 nan 8.180 nan 0.000 0.421 442 T N 7.430 122.056 114.554 0.120 0.000 2.837 442 T HA 0.625 4.973 4.350 -0.004 0.000 0.285 442 T C -0.087 174.726 174.700 0.189 0.000 0.984 442 T CA -0.281 61.861 62.100 0.071 0.000 1.049 442 T CB 0.308 69.263 68.868 0.146 0.000 0.947 442 T HN 0.344 nan 8.240 nan 0.000 0.472 443 M N 2.425 122.034 119.600 0.016 0.000 2.327 443 M HA 0.345 4.823 4.480 -0.004 0.000 0.298 443 M C 0.246 176.452 176.300 -0.156 0.000 1.065 443 M CA -0.594 54.731 55.300 0.041 0.000 0.916 443 M CB 1.627 34.338 32.600 0.186 0.000 1.630 443 M HN 0.812 nan 8.290 nan 0.000 0.442 444 C N 2.213 121.526 119.300 0.022 0.000 4.454 444 C HA -0.122 4.335 4.460 -0.004 0.000 0.298 444 C C 0.420 175.391 174.990 -0.033 0.000 1.384 444 C CA 1.327 60.337 59.018 -0.014 0.000 2.002 444 C CB -2.472 25.164 27.740 -0.173 0.000 1.249 444 C HN 1.098 nan 8.230 nan 0.000 0.783 445 T N -2.011 112.594 114.554 0.085 0.000 2.894 445 T HA 0.454 4.802 4.350 -0.004 0.000 0.309 445 T C -0.701 174.151 174.700 0.254 0.000 1.208 445 T CA -0.117 62.090 62.100 0.179 0.000 1.016 445 T CB 1.571 70.600 68.868 0.268 0.000 1.192 445 T HN 0.459 nan 8.240 nan 0.000 0.491 446 N N 1.280 120.126 118.700 0.243 0.000 2.886 446 N HA 0.245 4.982 4.740 -0.004 0.000 0.285 446 N C 0.674 176.261 175.510 0.128 0.000 1.706 446 N CA -0.312 52.855 53.050 0.195 0.000 0.904 446 N CB 0.318 38.915 38.487 0.182 0.000 1.224 446 N HN 0.687 nan 8.380 nan 0.000 0.488 447 N N 1.061 119.847 118.700 0.143 0.000 2.354 447 N HA -0.097 4.641 4.740 -0.004 0.000 0.179 447 N C 1.694 177.071 175.510 -0.221 0.000 1.021 447 N CA 0.421 53.476 53.050 0.009 0.000 0.887 447 N CB 0.203 38.654 38.487 -0.059 0.000 0.974 447 N HN 0.386 nan 8.380 nan 0.000 0.437 448 M N 1.350 120.713 119.600 -0.393 0.000 2.267 448 M HA -0.170 4.307 4.480 -0.004 0.000 0.263 448 M C 1.853 178.003 176.300 -0.251 0.000 1.063 448 M CA 1.589 56.590 55.300 -0.499 0.000 1.090 448 M CB -0.288 31.996 32.600 -0.526 0.000 1.392 448 M HN 0.187 nan 8.290 nan 0.000 0.422 449 Q N -2.051 117.668 119.800 -0.136 0.000 2.394 449 Q HA 0.181 4.519 4.340 -0.004 0.000 0.218 449 Q C 1.692 177.637 176.000 -0.090 0.000 0.907 449 Q CA 0.706 56.465 55.803 -0.074 0.000 0.919 449 Q CB 0.094 28.834 28.738 0.003 0.000 1.051 449 Q HN 0.499 nan 8.270 nan 0.000 0.538 450 A N 0.329 123.085 122.820 -0.106 0.000 1.984 450 A HA 0.268 4.586 4.320 -0.004 0.000 0.214 450 A C 1.199 178.568 177.584 -0.359 0.000 1.173 450 A CA 0.661 52.535 52.037 -0.271 0.000 0.673 450 A CB -0.432 18.469 19.000 -0.164 0.000 0.830 450 A HN 0.384 nan 8.150 nan 0.000 0.453 451 G N 0.661 109.330 108.800 -0.218 0.000 2.503 451 G HA2 0.469 4.427 3.960 -0.004 0.000 0.257 451 G HA3 0.469 4.427 3.960 -0.004 0.000 0.257 451 G C -2.557 172.270 174.900 -0.122 0.000 1.214 451 G CA -1.120 43.843 45.100 -0.228 0.000 0.839 451 G HN 0.201 nan 8.290 nan 0.000 0.559 452 P HA 0.075 nan 4.420 nan 0.000 0.274 452 P C 0.062 177.283 177.300 -0.132 0.000 1.237 452 P CA -0.287 62.737 63.100 -0.127 0.000 0.793 452 P CB 0.694 32.175 31.700 -0.365 0.000 0.977 453 N N 0.757 119.384 118.700 -0.122 0.000 2.714 453 N HA -0.180 4.558 4.740 -0.004 0.000 0.253 453 N C 0.721 176.166 175.510 -0.108 0.000 1.024 453 N CA 0.335 53.318 53.050 -0.111 0.000 0.726 453 N CB -1.658 36.761 38.487 -0.114 0.000 0.908 453 N HN 0.371 nan 8.380 nan 0.000 0.542 454 I N -0.276 120.224 120.570 -0.117 0.000 2.185 454 I HA -0.383 3.785 4.170 -0.004 0.000 0.246 454 I C 1.898 177.948 176.117 -0.112 0.000 1.088 454 I CA 1.457 62.675 61.300 -0.137 0.000 1.347 454 I CB -0.292 37.624 38.000 -0.141 0.000 1.041 454 I HN 0.381 nan 8.210 nan 0.000 0.415 455 N N 0.402 119.052 118.700 -0.085 0.000 2.331 455 N HA -0.125 4.613 4.740 -0.004 0.000 0.180 455 N C 1.693 177.172 175.510 -0.052 0.000 1.019 455 N CA 1.070 54.082 53.050 -0.063 0.000 0.881 455 N CB -0.105 38.352 38.487 -0.051 0.000 0.972 455 N HN 0.538 nan 8.380 nan 0.000 0.435 456 E N 0.217 120.384 120.200 -0.056 0.000 2.075 456 E HA -0.009 4.339 4.350 -0.004 0.000 0.190 456 E C 1.094 177.674 176.600 -0.034 0.000 0.969 456 E CA 0.694 57.069 56.400 -0.041 0.000 0.815 456 E CB 0.312 29.987 29.700 -0.043 0.000 0.776 456 E HN 0.341 nan 8.360 nan 0.000 0.457 457 E N 0.124 120.297 120.200 -0.045 0.000 2.280 457 E HA 0.048 4.396 4.350 -0.004 0.000 0.197 457 E C 2.060 178.644 176.600 -0.027 0.000 0.913 457 E CA 0.039 56.420 56.400 -0.031 0.000 0.995 457 E CB -0.157 29.522 29.700 -0.035 0.000 0.991 457 E HN -0.016 nan 8.360 nan 0.000 0.484 458 R N 0.522 120.975 120.500 -0.077 0.000 2.062 458 R HA -0.031 4.307 4.340 -0.004 0.000 0.229 458 R C 2.363 178.566 176.300 -0.160 0.000 1.128 458 R CA 1.365 57.385 56.100 -0.133 0.000 0.960 458 R CB -0.120 30.003 30.300 -0.295 0.000 0.855 458 R HN 0.008 nan 8.270 nan 0.000 0.432 459 M N 0.883 120.383 119.600 -0.166 0.000 2.067 459 M HA -0.021 4.457 4.480 -0.004 0.000 0.260 459 M C -1.229 175.091 176.300 0.032 0.000 1.069 459 M CA 1.647 56.890 55.300 -0.095 0.000 1.117 459 M CB -0.633 31.912 32.600 -0.093 0.000 1.334 459 M HN 0.014 nan 8.290 nan 0.000 0.407 460 P HA -0.053 nan 4.420 nan 0.000 0.215 460 P C 1.443 178.798 177.300 0.091 0.000 1.153 460 P CA 2.019 65.148 63.100 0.048 0.000 0.853 460 P CB -0.551 31.162 31.700 0.022 0.000 0.788 461 G N -1.404 107.463 108.800 0.113 0.000 2.418 461 G HA2 -0.235 3.723 3.960 -0.004 0.000 0.217 461 G HA3 -0.235 3.723 3.960 -0.004 0.000 0.217 461 G C 1.117 176.164 174.900 0.246 0.000 1.158 461 G CA 0.501 45.691 45.100 0.150 0.000 0.771 461 G HN 0.196 nan 8.290 nan 0.000 0.545 462 W N 0.679 121.981 121.300 0.005 0.000 2.388 462 W HA 0.169 4.827 4.660 -0.003 0.000 0.294 462 W C 2.385 178.931 176.519 0.044 0.000 1.212 462 W CA 0.488 57.858 57.345 0.042 0.000 1.271 462 W CB -0.024 29.471 29.460 0.059 0.000 1.126 462 W HN 0.020 nan 8.180 nan 0.000 0.535 463 R N 0.408 121.068 120.500 0.265 0.000 2.310 463 R HA 0.017 4.355 4.340 -0.004 0.000 0.202 463 R C 0.023 176.390 176.300 0.111 0.000 0.933 463 R CA 0.264 56.461 56.100 0.162 0.000 1.054 463 R CB -1.240 29.132 30.300 0.120 0.000 0.985 463 R HN 0.107 nan 8.270 nan 0.000 0.489 464 D N 2.082 122.548 120.400 0.110 0.000 2.383 464 D HA 0.012 4.650 4.640 -0.004 0.000 0.252 464 D C -1.475 174.875 176.300 0.083 0.000 1.166 464 D CA -1.658 52.390 54.000 0.079 0.000 0.879 464 D CB 1.760 42.600 40.800 0.067 0.000 1.164 464 D HN -0.026 nan 8.370 nan 0.000 0.462 465 P HA -0.032 nan 4.420 nan 0.000 0.234 465 P C 0.864 178.223 177.300 0.098 0.000 1.167 465 P CA 0.505 63.656 63.100 0.084 0.000 0.763 465 P CB 0.253 31.984 31.700 0.052 0.000 0.835 466 R N -1.039 119.507 120.500 0.077 0.000 2.299 466 R HA 0.100 4.438 4.340 -0.004 0.000 0.197 466 R C 0.175 176.524 176.300 0.081 0.000 0.971 466 R CA 0.265 56.406 56.100 0.068 0.000 1.030 466 R CB -0.142 30.184 30.300 0.043 0.000 0.932 466 R HN 0.234 nan 8.270 nan 0.000 0.477 467 N N -0.080 118.682 118.700 0.103 0.000 2.319 467 N HA 0.207 4.944 4.740 -0.004 0.000 0.305 467 N C -1.612 174.011 175.510 0.189 0.000 1.103 467 N CA -0.478 52.633 53.050 0.103 0.000 0.815 467 N CB 1.477 39.990 38.487 0.043 0.000 1.288 467 N HN -0.114 nan 8.380 nan 0.000 0.493 468 F N 2.439 122.376 119.950 -0.021 0.000 2.496 468 F HA 0.512 5.037 4.527 -0.003 0.000 0.341 468 F C -1.087 174.676 175.800 -0.063 0.000 1.134 468 F CA -0.897 57.080 58.000 -0.038 0.000 0.968 468 F CB 0.642 39.589 39.000 -0.089 0.000 1.205 468 F HN 0.224 nan 8.300 nan 0.000 0.436 469 I N 7.387 127.658 120.570 -0.499 0.000 2.377 469 I HA 0.420 4.588 4.170 -0.004 0.000 0.293 469 I C -0.328 175.469 176.117 -0.534 0.000 0.987 469 I CA -0.796 60.221 61.300 -0.471 0.000 1.185 469 I CB 1.444 39.100 38.000 -0.573 0.000 1.341 469 I HN 0.460 nan 8.210 nan 0.000 0.455 470 I N 6.317 126.682 120.570 -0.343 0.000 2.436 470 I HA 0.484 4.652 4.170 -0.004 0.000 0.289 470 I C -0.283 175.820 176.117 -0.024 0.000 1.010 470 I CA -0.929 60.226 61.300 -0.242 0.000 1.098 470 I CB 2.248 40.047 38.000 -0.335 0.000 1.266 470 I HN 0.396 nan 8.210 nan 0.000 0.434 471 V N 3.213 123.154 119.914 0.044 0.000 2.588 471 V HA 0.630 4.748 4.120 -0.004 0.000 0.304 471 V C -0.511 175.723 176.094 0.234 0.000 1.042 471 V CA -0.101 62.319 62.300 0.199 0.000 0.877 471 V CB 2.082 34.034 31.823 0.215 0.000 0.996 471 V HN 0.684 nan 8.190 nan 0.000 0.425 472 S N 5.353 121.276 115.700 0.372 0.000 2.429 472 S HA 0.685 5.153 4.470 -0.004 0.000 0.302 472 S C -0.768 173.995 174.600 0.271 0.000 1.115 472 S CA -0.417 58.006 58.200 0.372 0.000 1.095 472 S CB 0.639 64.170 63.200 0.552 0.000 0.987 472 S HN 0.974 nan 8.310 nan 0.000 0.474 473 D N 2.036 122.557 120.400 0.203 0.000 2.769 473 D HA 0.223 4.861 4.640 -0.004 0.000 0.219 473 D C -2.334 174.011 176.300 0.075 0.000 1.245 473 D CA -1.403 52.695 54.000 0.163 0.000 0.801 473 D CB 2.410 43.314 40.800 0.172 0.000 1.598 473 D HN 0.145 nan 8.370 nan 0.000 0.485 474 P HA -0.008 nan 4.420 nan 0.000 0.226 474 P C -0.288 176.726 177.300 -0.476 0.000 1.153 474 P CA 0.781 63.725 63.100 -0.258 0.000 0.777 474 P CB 0.412 31.892 31.700 -0.366 0.000 0.794 475 Y N -0.248 120.098 120.300 0.076 0.000 2.576 475 Y HA 0.439 4.988 4.550 -0.003 0.000 0.346 475 Y C -2.175 173.745 175.900 0.034 0.000 1.018 475 Y CA -3.097 55.035 58.100 0.053 0.000 1.050 475 Y CB 1.568 40.068 38.460 0.066 0.000 1.280 475 Y HN -0.282 nan 8.280 nan 0.000 0.474 476 P HA 0.090 nan 4.420 nan 0.000 0.266 476 P C -0.325 177.033 177.300 0.095 0.000 1.586 476 P CA -0.175 62.970 63.100 0.074 0.000 1.088 476 P CB 0.066 31.781 31.700 0.024 0.000 1.584 477 T N -1.143 113.478 114.554 0.113 0.000 2.824 477 T HA 0.161 4.509 4.350 -0.004 0.000 0.277 477 T C 1.582 176.334 174.700 0.087 0.000 0.975 477 T CA -0.646 61.521 62.100 0.111 0.000 0.966 477 T CB 0.126 69.081 68.868 0.144 0.000 1.054 477 T HN -0.039 nan 8.240 nan 0.000 0.533 478 V N 1.151 121.107 119.914 0.069 0.000 2.278 478 V HA -0.234 3.883 4.120 -0.004 0.000 0.251 478 V C 3.043 179.175 176.094 0.064 0.000 1.062 478 V CA 2.608 64.936 62.300 0.046 0.000 1.038 478 V CB -1.377 30.450 31.823 0.007 0.000 0.646 478 V HN 1.017 nan 8.190 nan 0.000 0.447 479 S N -0.265 115.489 115.700 0.089 0.000 2.348 479 S HA -0.182 4.286 4.470 -0.004 0.000 0.221 479 S C 2.234 177.030 174.600 0.327 0.000 1.033 479 S CA 1.472 59.789 58.200 0.194 0.000 1.010 479 S CB -0.600 62.756 63.200 0.260 0.000 0.891 479 S HN 0.684 nan 8.310 nan 0.000 0.442 480 A N 1.513 124.456 122.820 0.204 0.000 1.908 480 A HA -0.071 4.247 4.320 -0.004 0.000 0.218 480 A C 2.048 179.684 177.584 0.087 0.000 1.181 480 A CA 1.366 53.468 52.037 0.108 0.000 0.627 480 A CB -0.852 18.155 19.000 0.010 0.000 0.818 480 A HN 0.484 nan 8.150 nan 0.000 0.445 481 L N -1.253 120.040 121.223 0.117 0.000 2.362 481 L HA -0.088 4.250 4.340 -0.004 0.000 0.219 481 L C 2.490 179.573 176.870 0.354 0.000 1.134 481 L CA 0.724 55.696 54.840 0.220 0.000 0.807 481 L CB -0.297 41.855 42.059 0.155 0.000 0.927 481 L HN 0.445 nan 8.230 nan 0.000 0.447 482 A N -0.588 122.432 122.820 0.333 0.000 2.348 482 A HA 0.531 4.849 4.320 -0.004 0.000 0.224 482 A C 1.244 179.116 177.584 0.480 0.000 1.227 482 A CA 0.394 52.649 52.037 0.363 0.000 0.885 482 A CB -0.070 19.099 19.000 0.282 0.000 0.933 482 A HN 0.257 nan 8.150 nan 0.000 0.506 483 A N -0.274 122.823 122.820 0.460 0.000 2.450 483 A HA 0.550 4.868 4.320 -0.004 0.000 0.281 483 A C 0.385 178.109 177.584 0.233 0.000 1.372 483 A CA 0.205 52.407 52.037 0.274 0.000 0.886 483 A CB 0.440 19.538 19.000 0.162 0.000 1.462 483 A HN 0.172 nan 8.150 nan 0.000 0.514 484 D N -2.030 118.374 120.400 0.007 0.000 2.473 484 D HA 0.210 4.848 4.640 -0.004 0.000 0.242 484 D C -0.705 175.628 176.300 0.056 0.000 1.106 484 D CA 0.333 54.321 54.000 -0.020 0.000 0.854 484 D CB 0.730 41.404 40.800 -0.209 0.000 1.192 484 D HN 0.189 nan 8.370 nan 0.000 0.503 485 L N 1.332 122.506 121.223 -0.082 0.000 2.438 485 L HA 0.473 4.811 4.340 -0.004 0.000 0.270 485 L C -1.701 175.146 176.870 -0.038 0.000 0.972 485 L CA -0.675 54.152 54.840 -0.022 0.000 0.831 485 L CB 2.055 44.030 42.059 -0.139 0.000 1.273 485 L HN -0.198 nan 8.230 nan 0.000 0.405 486 I N 5.903 126.440 120.570 -0.056 0.000 2.362 486 I HA 0.417 4.585 4.170 -0.004 0.000 0.289 486 I C -0.809 175.230 176.117 -0.129 0.000 0.994 486 I CA -0.489 60.744 61.300 -0.112 0.000 1.158 486 I CB 1.550 39.397 38.000 -0.255 0.000 1.315 486 I HN 0.420 nan 8.210 nan 0.000 0.451 487 L N 8.313 129.515 121.223 -0.036 0.000 2.287 487 L HA 0.487 4.825 4.340 -0.004 0.000 0.287 487 L C -2.290 174.648 176.870 0.113 0.000 1.022 487 L CA -1.900 52.928 54.840 -0.021 0.000 0.814 487 L CB 1.476 43.666 42.059 0.218 0.000 1.217 487 L HN 0.297 nan 8.230 nan 0.000 0.420 488 P HA 0.127 nan 4.420 nan 0.000 0.276 488 P C -0.827 176.604 177.300 0.218 0.000 1.243 488 P CA -0.154 63.001 63.100 0.092 0.000 0.768 488 P CB 1.015 32.729 31.700 0.022 0.000 0.856 489 T N 1.964 116.604 114.554 0.143 0.000 2.807 489 T HA 0.529 4.877 4.350 -0.004 0.000 0.279 489 T C 0.176 174.931 174.700 0.092 0.000 0.993 489 T CA -0.456 61.747 62.100 0.172 0.000 0.970 489 T CB 1.495 70.501 68.868 0.231 0.000 0.950 489 T HN 0.435 nan 8.240 nan 0.000 0.441 490 A N 4.516 127.389 122.820 0.089 0.000 2.540 490 A HA 0.544 4.862 4.320 -0.004 0.000 0.239 490 A C 0.353 178.009 177.584 0.120 0.000 1.061 490 A CA -0.239 51.839 52.037 0.068 0.000 0.758 490 A CB -0.327 18.702 19.000 0.048 0.000 0.991 490 A HN 0.952 nan 8.150 nan 0.000 0.502 491 M N 1.595 121.261 119.600 0.110 0.000 2.716 491 M HA 0.584 5.062 4.480 -0.004 0.000 0.307 491 M C 0.346 176.803 176.300 0.262 0.000 1.223 491 M CA -0.651 54.756 55.300 0.179 0.000 0.871 491 M CB 0.784 33.460 32.600 0.126 0.000 1.739 491 M HN 0.884 nan 8.290 nan 0.000 0.475 492 W N 1.649 122.990 121.300 0.068 0.000 2.501 492 W HA -0.374 4.284 4.660 -0.003 0.000 0.327 492 W C 1.019 177.639 176.519 0.168 0.000 1.661 492 W CA 3.076 60.410 57.345 -0.019 0.000 1.657 492 W CB -1.623 27.693 29.460 -0.241 0.000 0.910 492 W HN 0.518 nan 8.180 nan 0.000 0.483 493 V N 1.631 121.364 119.914 -0.301 0.000 3.633 493 V HA 0.043 4.160 4.120 -0.004 0.000 0.283 493 V C 1.536 177.591 176.094 -0.066 0.000 1.305 493 V CA 1.558 63.603 62.300 -0.426 0.000 1.153 493 V CB -0.280 30.853 31.823 -1.150 0.000 0.950 493 V HN 0.363 nan 8.190 nan 0.000 0.432 494 E N 1.003 121.218 120.200 0.026 0.000 2.494 494 E HA 0.031 4.379 4.350 -0.004 0.000 0.193 494 E C 0.478 177.114 176.600 0.060 0.000 1.074 494 E CA 0.131 56.551 56.400 0.034 0.000 0.867 494 E CB 0.189 29.910 29.700 0.035 0.000 0.924 494 E HN 0.704 nan 8.360 nan 0.000 0.502 495 K N -0.458 120.018 120.400 0.127 0.000 2.548 495 K HA 0.362 4.680 4.320 -0.004 0.000 0.282 495 K C -1.049 175.559 176.600 0.014 0.000 1.006 495 K CA -0.970 55.368 56.287 0.084 0.000 0.892 495 K CB 1.352 33.919 32.500 0.111 0.000 1.499 495 K HN -0.189 nan 8.250 nan 0.000 0.433 496 E N 0.090 120.246 120.200 -0.074 0.000 2.313 496 E HA 0.418 4.766 4.350 -0.004 0.000 0.276 496 E C -0.656 175.730 176.600 -0.356 0.000 1.031 496 E CA -0.440 55.835 56.400 -0.208 0.000 0.857 496 E CB 1.016 30.673 29.700 -0.072 0.000 1.040 496 E HN 0.700 nan 8.360 nan 0.000 0.408 497 G N 1.519 109.632 108.800 -1.146 0.000 2.694 497 G HA2 0.754 4.712 3.960 -0.004 0.000 0.290 497 G HA3 0.754 4.712 3.960 -0.004 0.000 0.290 497 G C -1.650 172.218 174.900 -1.721 0.000 1.386 497 G CA -0.296 43.552 45.100 -2.086 0.000 0.872 497 G HN 0.662 nan 8.290 nan 0.000 0.475 498 A N -0.293 121.607 122.820 -1.533 0.000 2.532 498 A HA 0.669 4.987 4.320 -0.004 0.000 0.296 498 A C -2.233 175.265 177.584 -0.143 0.000 1.058 498 A CA -0.529 51.042 52.037 -0.775 0.000 0.729 498 A CB 1.224 19.406 19.000 -1.364 0.000 1.285 498 A HN 0.765 nan 8.150 nan 0.000 0.396 499 Y N 0.161 120.560 120.300 0.165 0.000 2.524 499 Y HA 0.728 5.276 4.550 -0.004 0.000 0.347 499 Y C 0.535 176.550 175.900 0.192 0.000 1.005 499 Y CA -1.066 57.168 58.100 0.223 0.000 1.025 499 Y CB 2.696 41.367 38.460 0.352 0.000 1.275 499 Y HN 1.060 nan 8.280 nan 0.000 0.460 500 G N 2.518 111.508 108.800 0.317 0.000 2.626 500 G HA2 0.426 4.384 3.960 -0.004 0.000 0.304 500 G HA3 0.426 4.384 3.960 -0.004 0.000 0.304 500 G C -0.662 174.375 174.900 0.228 0.000 1.385 500 G CA -0.993 44.270 45.100 0.272 0.000 0.957 500 G HN 0.743 nan 8.290 nan 0.000 0.504 501 N N 0.599 119.425 118.700 0.211 0.000 2.495 501 N HA 0.495 5.233 4.740 -0.004 0.000 0.294 501 N C 1.659 177.273 175.510 0.174 0.000 1.276 501 N CA -0.199 52.972 53.050 0.201 0.000 0.973 501 N CB 1.351 39.977 38.487 0.231 0.000 1.143 501 N HN 0.289 nan 8.380 nan 0.000 0.589 502 A N -0.472 122.491 122.820 0.237 0.000 2.015 502 A HA -0.184 4.134 4.320 -0.004 0.000 0.219 502 A C 1.364 179.047 177.584 0.165 0.000 1.163 502 A CA 1.451 53.635 52.037 0.245 0.000 0.646 502 A CB -0.915 18.338 19.000 0.423 0.000 0.806 502 A HN 0.886 nan 8.150 nan 0.000 0.448 503 E N -1.147 119.050 120.200 -0.005 0.000 2.349 503 E HA 0.378 4.725 4.350 -0.004 0.000 0.201 503 E C 0.323 176.729 176.600 -0.322 0.000 1.087 503 E CA -0.479 55.801 56.400 -0.199 0.000 1.128 503 E CB -0.182 29.073 29.700 -0.740 0.000 1.188 503 E HN 0.432 nan 8.360 nan 0.000 0.445 504 R N -0.093 120.247 120.500 -0.266 0.000 3.994 504 R HA -0.212 4.126 4.340 -0.004 0.000 0.403 504 R C 0.136 176.332 176.300 -0.173 0.000 1.126 504 R CA 0.990 56.835 56.100 -0.425 0.000 1.143 504 R CB -1.761 27.799 30.300 -1.233 0.000 1.695 504 R HN 0.321 nan 8.270 nan 0.000 0.555 505 R N 2.054 122.519 120.500 -0.058 0.000 2.296 505 R HA 0.110 4.447 4.340 -0.004 0.000 0.323 505 R C -0.676 175.738 176.300 0.191 0.000 1.067 505 R CA 0.265 56.405 56.100 0.065 0.000 0.946 505 R CB 0.687 31.003 30.300 0.026 0.000 0.991 505 R HN -0.048 nan 8.270 nan 0.000 0.448 506 T N 5.045 119.755 114.554 0.259 0.000 2.780 506 T HA 0.169 4.517 4.350 -0.004 0.000 0.294 506 T C -0.349 174.459 174.700 0.180 0.000 0.949 506 T CA -0.254 61.954 62.100 0.181 0.000 1.074 506 T CB 1.172 70.021 68.868 -0.031 0.000 0.910 506 T HN 0.556 nan 8.240 nan 0.000 0.501 507 Q N 2.065 122.011 119.800 0.242 0.000 2.321 507 Q HA 0.466 4.804 4.340 -0.004 0.000 0.270 507 Q C -1.071 175.195 176.000 0.443 0.000 1.032 507 Q CA -0.720 55.267 55.803 0.307 0.000 0.784 507 Q CB 1.597 30.525 28.738 0.315 0.000 1.264 507 Q HN 0.460 nan 8.270 nan 0.000 0.448 508 F N 1.525 121.492 119.950 0.028 0.000 2.380 508 F HA 0.612 5.137 4.527 -0.004 0.000 0.319 508 F C -0.238 175.700 175.800 0.231 0.000 1.113 508 F CA -1.238 56.702 58.000 -0.099 0.000 1.056 508 F CB 0.904 39.589 39.000 -0.525 0.000 1.289 508 F HN 0.547 nan 8.300 nan 0.000 0.515 509 W N 0.718 122.122 121.300 0.174 0.000 3.624 509 W HA 0.665 5.323 4.660 -0.003 0.000 0.312 509 W C -1.531 175.115 176.519 0.211 0.000 1.203 509 W CA -1.355 56.084 57.345 0.158 0.000 1.225 509 W CB 0.541 29.999 29.460 -0.002 0.000 1.321 509 W HN 0.410 nan 8.180 nan 0.000 0.506 510 R N 2.324 123.035 120.500 0.352 0.000 2.679 510 R HA 0.133 4.471 4.340 -0.004 0.000 0.269 510 R C 0.240 176.626 176.300 0.143 0.000 1.076 510 R CA -0.665 55.529 56.100 0.157 0.000 1.160 510 R CB 0.668 31.000 30.300 0.052 0.000 1.054 510 R HN 0.691 nan 8.270 nan 0.000 0.507 511 Q N 1.486 121.312 119.800 0.044 0.000 2.311 511 Q HA -0.070 4.268 4.340 -0.004 0.000 0.272 511 Q C 0.165 176.168 176.000 0.006 0.000 1.012 511 Q CA 0.226 56.051 55.803 0.036 0.000 0.891 511 Q CB 0.766 29.497 28.738 -0.012 0.000 1.201 511 Q HN 0.516 nan 8.270 nan 0.000 0.391 512 Q N 2.245 122.033 119.800 -0.020 0.000 2.353 512 Q HA 0.147 4.485 4.340 -0.004 0.000 0.240 512 Q C 0.657 176.625 176.000 -0.054 0.000 0.868 512 Q CA 0.393 56.163 55.803 -0.054 0.000 0.944 512 Q CB 0.848 29.524 28.738 -0.103 0.000 1.104 512 Q HN 0.555 nan 8.270 nan 0.000 0.531 513 V N -2.325 117.563 119.914 -0.044 0.000 3.076 513 V HA 0.587 4.705 4.120 -0.004 0.000 0.311 513 V C -1.442 174.645 176.094 -0.012 0.000 1.346 513 V CA -1.134 61.154 62.300 -0.021 0.000 1.056 513 V CB 2.100 33.928 31.823 0.008 0.000 1.093 513 V HN -0.013 nan 8.190 nan 0.000 0.468 514 Q N 0.349 120.150 119.800 0.003 0.000 2.375 514 Q HA 0.780 5.117 4.340 -0.004 0.000 0.271 514 Q C -0.416 175.589 176.000 0.008 0.000 1.074 514 Q CA -0.561 55.237 55.803 -0.008 0.000 0.808 514 Q CB 2.307 31.031 28.738 -0.023 0.000 1.327 514 Q HN 1.295 nan 8.270 nan 0.000 0.441 515 A N 3.309 126.123 122.820 -0.010 0.000 2.483 515 A HA 0.365 4.683 4.320 -0.004 0.000 0.238 515 A C -2.049 175.537 177.584 0.002 0.000 1.070 515 A CA -0.803 51.231 52.037 -0.005 0.000 0.770 515 A CB -0.446 18.539 19.000 -0.026 0.000 1.008 515 A HN 0.449 nan 8.150 nan 0.000 0.497 516 P HA 0.310 nan 4.420 nan 0.000 0.269 516 P C 1.015 178.318 177.300 0.005 0.000 1.209 516 P CA 1.164 64.277 63.100 0.022 0.000 0.776 516 P CB 0.367 32.087 31.700 0.034 0.000 0.876 517 G N 3.449 112.252 108.800 0.006 0.000 2.611 517 G HA2 -0.319 3.639 3.960 -0.004 0.000 0.301 517 G HA3 -0.319 3.639 3.960 -0.004 0.000 0.301 517 G C 0.247 175.153 174.900 0.010 0.000 1.233 517 G CA 0.540 45.645 45.100 0.007 0.000 0.993 517 G HN 0.563 nan 8.290 nan 0.000 0.553 518 E N 1.260 121.486 120.200 0.044 0.000 2.569 518 E HA 0.574 4.922 4.350 -0.004 0.000 0.205 518 E C 0.889 177.592 176.600 0.172 0.000 1.006 518 E CA 0.328 56.791 56.400 0.106 0.000 0.985 518 E CB 0.647 30.490 29.700 0.238 0.000 1.060 518 E HN 0.880 nan 8.360 nan 0.000 0.460 519 A N 1.917 124.782 122.820 0.076 0.000 2.548 519 A HA 0.112 4.429 4.320 -0.004 0.000 0.247 519 A C 0.103 177.654 177.584 -0.055 0.000 1.067 519 A CA 0.261 52.345 52.037 0.078 0.000 0.757 519 A CB 0.231 19.246 19.000 0.026 0.000 0.996 519 A HN -0.066 nan 8.150 nan 0.000 0.504 520 K N 1.770 122.140 120.400 -0.050 0.000 2.340 520 K HA 0.513 4.831 4.320 -0.004 0.000 0.244 520 K C 0.248 176.858 176.600 0.018 0.000 0.973 520 K CA -0.481 55.638 56.287 -0.280 0.000 0.828 520 K CB 1.672 33.625 32.500 -0.911 0.000 1.226 520 K HN 0.806 nan 8.250 nan 0.000 0.437 521 S N -0.220 115.509 115.700 0.048 0.000 2.600 521 S HA 0.063 4.530 4.470 -0.004 0.000 0.265 521 S C 0.360 175.101 174.600 0.235 0.000 1.325 521 S CA -0.112 58.179 58.200 0.153 0.000 1.002 521 S CB 0.429 63.708 63.200 0.131 0.000 0.921 521 S HN 0.445 nan 8.310 nan 0.000 0.554 522 D N 0.436 120.976 120.400 0.235 0.000 2.182 522 D HA -0.089 4.548 4.640 -0.004 0.000 0.201 522 D C 1.656 178.001 176.300 0.076 0.000 0.986 522 D CA 0.870 54.996 54.000 0.211 0.000 0.847 522 D CB -0.345 40.600 40.800 0.241 0.000 0.942 522 D HN 0.404 nan 8.370 nan 0.000 0.467 523 L N -0.694 120.558 121.223 0.049 0.000 2.046 523 L HA -0.050 4.288 4.340 -0.004 0.000 0.208 523 L C 1.942 178.823 176.870 0.018 0.000 1.077 523 L CA 1.543 56.368 54.840 -0.026 0.000 0.747 523 L CB -0.651 41.428 42.059 0.032 0.000 0.896 523 L HN 0.226 nan 8.230 nan 0.000 0.432 524 W N 0.476 121.731 121.300 -0.075 0.000 2.354 524 W HA -0.245 4.413 4.660 -0.004 0.000 0.315 524 W C 2.580 179.093 176.519 -0.009 0.000 1.206 524 W CA 2.215 59.510 57.345 -0.083 0.000 1.290 524 W CB -0.306 29.085 29.460 -0.115 0.000 1.152 524 W HN 0.254 nan 8.180 nan 0.000 0.489 525 Q N 0.066 120.143 119.800 0.461 0.000 2.012 525 Q HA -0.313 4.025 4.340 -0.004 0.000 0.211 525 Q C 2.261 178.471 176.000 0.350 0.000 1.009 525 Q CA 2.709 58.828 55.803 0.526 0.000 0.866 525 Q CB -1.054 28.112 28.738 0.714 0.000 0.945 525 Q HN 0.397 nan 8.270 nan 0.000 0.414 526 L N -0.214 121.109 121.223 0.168 0.000 2.042 526 L HA -0.205 4.133 4.340 -0.004 0.000 0.210 526 L C 2.385 179.207 176.870 -0.079 0.000 1.076 526 L CA 0.872 55.739 54.840 0.045 0.000 0.749 526 L CB -0.419 41.524 42.059 -0.193 0.000 0.893 526 L HN 0.101 nan 8.230 nan 0.000 0.432 527 V N -1.203 118.538 119.914 -0.287 0.000 2.488 527 V HA -0.175 3.943 4.120 -0.004 0.000 0.246 527 V C 2.455 178.412 176.094 -0.229 0.000 1.046 527 V CA 1.151 63.208 62.300 -0.404 0.000 1.053 527 V CB -0.443 31.073 31.823 -0.511 0.000 0.679 527 V HN 0.432 nan 8.190 nan 0.000 0.458 528 Q N -0.879 118.626 119.800 -0.492 0.000 2.226 528 Q HA -0.164 4.174 4.340 -0.004 0.000 0.204 528 Q C 2.084 177.721 176.000 -0.606 0.000 0.975 528 Q CA 1.464 56.854 55.803 -0.687 0.000 0.866 528 Q CB -0.452 27.585 28.738 -1.168 0.000 0.915 528 Q HN 0.638 nan 8.270 nan 0.000 0.440 529 F N 1.926 121.469 119.950 -0.678 0.000 2.234 529 F HA -0.143 4.382 4.527 -0.003 0.000 0.299 529 F C 2.331 178.049 175.800 -0.135 0.000 1.087 529 F CA 1.342 58.981 58.000 -0.601 0.000 1.340 529 F CB -0.311 38.588 39.000 -0.168 0.000 1.031 529 F HN 0.078 nan 8.300 nan 0.000 0.500 530 S N 1.180 116.866 115.700 -0.023 0.000 2.469 530 S HA -0.216 4.251 4.470 -0.004 0.000 0.238 530 S C 2.005 176.613 174.600 0.013 0.000 0.998 530 S CA 0.852 59.047 58.200 -0.008 0.000 0.957 530 S CB -0.881 62.439 63.200 0.200 0.000 0.764 530 S HN 0.664 nan 8.310 nan 0.000 0.514 531 R N 0.545 121.001 120.500 -0.074 0.000 2.276 531 R HA 0.190 4.528 4.340 -0.004 0.000 0.203 531 R C 1.178 177.369 176.300 -0.182 0.000 1.017 531 R CA 0.116 56.151 56.100 -0.108 0.000 1.010 531 R CB -0.290 29.862 30.300 -0.248 0.000 0.900 531 R HN 0.189 nan 8.270 nan 0.000 0.469 532 R N 0.690 121.021 120.500 -0.282 0.000 2.319 532 R HA 0.178 4.516 4.340 -0.004 0.000 0.204 532 R C -0.650 175.205 176.300 -0.741 0.000 0.954 532 R CA 0.265 56.037 56.100 -0.547 0.000 1.066 532 R CB -0.182 29.620 30.300 -0.829 0.000 0.991 532 R HN 0.147 nan 8.270 nan 0.000 0.486 533 F N 0.148 119.917 119.950 -0.301 0.000 2.561 533 F HA 0.374 4.899 4.527 -0.004 0.000 0.313 533 F C 0.412 176.068 175.800 -0.240 0.000 1.126 533 F CA -1.112 56.741 58.000 -0.245 0.000 0.918 533 F CB 1.601 40.465 39.000 -0.226 0.000 1.199 533 F HN -0.464 nan 8.300 nan 0.000 0.444 534 K N 1.010 121.375 120.400 -0.058 0.000 2.143 534 K HA 0.263 4.581 4.320 -0.004 0.000 0.272 534 K C 1.161 177.622 176.600 -0.231 0.000 1.001 534 K CA 0.127 56.330 56.287 -0.140 0.000 0.915 534 K CB 1.641 34.072 32.500 -0.116 0.000 1.047 534 K HN 0.872 nan 8.250 nan 0.000 0.458 535 T N -0.341 113.976 114.554 -0.395 0.000 2.649 535 T HA -0.252 4.096 4.350 -0.004 0.000 0.268 535 T C 1.203 175.705 174.700 -0.332 0.000 1.036 535 T CA 1.726 63.432 62.100 -0.657 0.000 1.157 535 T CB -0.210 68.207 68.868 -0.753 0.000 0.861 535 T HN 0.587 nan 8.240 nan 0.000 0.445 536 E N 1.500 121.607 120.200 -0.155 0.000 2.396 536 E HA -0.048 4.299 4.350 -0.004 0.000 0.200 536 E C 2.030 178.622 176.600 -0.014 0.000 1.023 536 E CA 1.004 57.378 56.400 -0.043 0.000 0.857 536 E CB -0.248 29.436 29.700 -0.028 0.000 0.775 536 E HN 0.766 nan 8.360 nan 0.000 0.525 537 E N -0.640 119.540 120.200 -0.033 0.000 2.472 537 E HA -0.003 4.345 4.350 -0.004 0.000 0.196 537 E C 1.376 178.033 176.600 0.094 0.000 1.033 537 E CA 0.682 57.103 56.400 0.036 0.000 0.886 537 E CB 0.727 30.454 29.700 0.047 0.000 0.944 537 E HN 0.295 nan 8.360 nan 0.000 0.492 538 V N -3.682 116.262 119.914 0.051 0.000 3.350 538 V HA 0.244 4.362 4.120 -0.004 0.000 0.246 538 V C 0.015 176.294 176.094 0.308 0.000 1.363 538 V CA -0.579 61.806 62.300 0.141 0.000 1.162 538 V CB 0.089 31.952 31.823 0.065 0.000 0.947 538 V HN 0.029 nan 8.190 nan 0.000 0.454 539 W N 2.568 123.891 121.300 0.038 0.000 2.417 539 W HA 0.716 5.374 4.660 -0.004 0.000 0.317 539 W C -2.552 173.984 176.519 0.028 0.000 1.121 539 W CA -3.261 54.099 57.345 0.026 0.000 1.208 539 W CB -0.302 29.162 29.460 0.008 0.000 1.253 539 W HN 0.068 nan 8.180 nan 0.000 0.533 540 P HA -0.033 nan 4.420 nan 0.000 0.269 540 P C 0.858 178.240 177.300 0.137 0.000 1.209 540 P CA 0.075 63.263 63.100 0.148 0.000 0.776 540 P CB 1.145 32.904 31.700 0.099 0.000 0.876 541 E N 2.657 122.916 120.200 0.099 0.000 2.086 541 E HA -0.278 4.070 4.350 -0.004 0.000 0.200 541 E C 1.124 177.768 176.600 0.072 0.000 1.012 541 E CA 2.283 58.732 56.400 0.081 0.000 0.812 541 E CB -0.646 29.087 29.700 0.056 0.000 0.743 541 E HN 0.546 nan 8.360 nan 0.000 0.453 542 D N -0.426 120.008 120.400 0.056 0.000 2.363 542 D HA -0.110 4.528 4.640 -0.004 0.000 0.226 542 D C 1.956 178.275 176.300 0.031 0.000 1.020 542 D CA 0.283 54.306 54.000 0.039 0.000 0.892 542 D CB -0.288 40.529 40.800 0.027 0.000 0.900 542 D HN 0.367 nan 8.370 nan 0.000 0.531 543 L N -0.197 121.052 121.223 0.043 0.000 2.095 543 L HA 0.032 4.370 4.340 -0.004 0.000 0.204 543 L C 2.651 179.558 176.870 0.062 0.000 1.080 543 L CA 0.400 55.246 54.840 0.011 0.000 0.759 543 L CB -0.175 41.863 42.059 -0.035 0.000 0.914 543 L HN 0.013 nan 8.230 nan 0.000 0.439 544 L N -0.301 121.007 121.223 0.142 0.000 2.131 544 L HA -0.167 4.171 4.340 -0.004 0.000 0.210 544 L C 2.646 179.571 176.870 0.092 0.000 1.092 544 L CA 1.001 55.940 54.840 0.166 0.000 0.759 544 L CB -0.528 41.630 42.059 0.165 0.000 0.903 544 L HN 0.245 nan 8.230 nan 0.000 0.435 545 A N -0.307 122.551 122.820 0.062 0.000 2.225 545 A HA -0.174 4.144 4.320 -0.004 0.000 0.215 545 A C 2.162 179.763 177.584 0.029 0.000 1.164 545 A CA 1.221 53.282 52.037 0.040 0.000 0.710 545 A CB -0.268 18.750 19.000 0.031 0.000 0.780 545 A HN 0.375 nan 8.150 nan 0.000 0.473 546 K N -0.545 119.872 120.400 0.028 0.000 2.211 546 K HA 0.036 4.354 4.320 -0.004 0.000 0.201 546 K C -0.183 176.428 176.600 0.019 0.000 1.052 546 K CA 0.862 57.157 56.287 0.013 0.000 0.973 546 K CB 0.147 32.642 32.500 -0.007 0.000 0.766 546 K HN 0.315 nan 8.250 nan 0.000 0.466 547 K N 0.769 121.194 120.400 0.040 0.000 2.752 547 K HA 0.181 4.498 4.320 -0.004 0.000 0.199 547 K C -2.559 174.079 176.600 0.063 0.000 1.069 547 K CA -1.286 55.030 56.287 0.047 0.000 1.033 547 K CB 1.794 34.328 32.500 0.056 0.000 1.229 547 K HN -0.196 nan 8.250 nan 0.000 0.572 548 P HA -0.183 nan 4.420 nan 0.000 0.239 548 P C 0.688 178.005 177.300 0.028 0.000 1.184 548 P CA 0.768 63.892 63.100 0.039 0.000 0.760 548 P CB 0.250 31.965 31.700 0.025 0.000 0.884 549 E N 0.302 120.519 120.200 0.027 0.000 2.478 549 E HA -0.027 4.321 4.350 -0.004 0.000 0.194 549 E C 1.143 177.749 176.600 0.011 0.000 1.045 549 E CA 0.506 56.913 56.400 0.012 0.000 0.868 549 E CB -0.593 29.110 29.700 0.005 0.000 0.885 549 E HN 0.315 nan 8.360 nan 0.000 0.505 550 L N 0.492 121.736 121.223 0.035 0.000 2.640 550 L HA 0.282 4.620 4.340 -0.004 0.000 0.230 550 L C 1.004 177.862 176.870 -0.020 0.000 1.123 550 L CA -0.374 54.481 54.840 0.024 0.000 0.900 550 L CB 0.099 42.231 42.059 0.121 0.000 1.146 550 L HN -0.153 nan 8.230 nan 0.000 0.484 551 R N 0.534 121.034 120.500 -0.002 0.000 2.640 551 R HA 0.187 4.525 4.340 -0.004 0.000 0.270 551 R C 1.307 177.578 176.300 -0.050 0.000 1.024 551 R CA 0.895 56.981 56.100 -0.023 0.000 1.085 551 R CB 0.120 30.418 30.300 -0.003 0.000 0.963 551 R HN 0.269 nan 8.270 nan 0.000 0.426 552 G N 1.467 110.226 108.800 -0.069 0.000 2.189 552 G HA2 -0.318 3.640 3.960 -0.004 0.000 0.267 552 G HA3 -0.318 3.640 3.960 -0.004 0.000 0.267 552 G C -0.059 174.788 174.900 -0.088 0.000 0.975 552 G CA 0.233 45.290 45.100 -0.072 0.000 0.644 552 G HN 0.480 nan 8.290 nan 0.000 0.537 553 K N 1.270 121.600 120.400 -0.116 0.000 2.144 553 K HA 0.494 4.812 4.320 -0.004 0.000 0.270 553 K C 0.899 177.393 176.600 -0.177 0.000 1.005 553 K CA 0.265 56.475 56.287 -0.128 0.000 0.932 553 K CB 1.170 33.595 32.500 -0.126 0.000 1.021 553 K HN 0.395 nan 8.250 nan 0.000 0.462 554 T N -1.374 113.101 114.554 -0.131 0.000 2.902 554 T HA 0.248 4.596 4.350 -0.004 0.000 0.280 554 T C 1.624 176.212 174.700 -0.186 0.000 0.992 554 T CA -0.786 61.237 62.100 -0.129 0.000 1.015 554 T CB 0.557 69.400 68.868 -0.041 0.000 1.044 554 T HN 0.461 nan 8.240 nan 0.000 0.520 555 L N 0.020 121.118 121.223 -0.208 0.000 2.191 555 L HA -0.017 4.321 4.340 -0.004 0.000 0.212 555 L C 2.368 179.093 176.870 -0.242 0.000 1.103 555 L CA 1.224 55.880 54.840 -0.306 0.000 0.769 555 L CB -0.828 40.990 42.059 -0.403 0.000 0.908 555 L HN 0.735 nan 8.230 nan 0.000 0.438 556 Y N 1.562 121.774 120.300 -0.147 0.000 2.014 556 Y HA -0.344 4.204 4.550 -0.004 0.000 0.270 556 Y C 2.549 178.406 175.900 -0.071 0.000 1.145 556 Y CA 2.090 60.178 58.100 -0.019 0.000 1.106 556 Y CB -0.266 38.183 38.460 -0.019 0.000 0.968 556 Y HN 0.159 nan 8.280 nan 0.000 0.484 557 E N -0.996 119.166 120.200 -0.064 0.000 2.160 557 E HA -0.206 4.142 4.350 -0.004 0.000 0.195 557 E C 2.179 178.638 176.600 -0.236 0.000 0.991 557 E CA 1.561 57.877 56.400 -0.140 0.000 0.810 557 E CB -0.255 29.413 29.700 -0.054 0.000 0.742 557 E HN 0.364 nan 8.360 nan 0.000 0.466 558 V N 0.556 120.312 119.914 -0.262 0.000 2.649 558 V HA -0.112 4.006 4.120 -0.004 0.000 0.248 558 V C 1.836 177.726 176.094 -0.340 0.000 1.054 558 V CA 1.166 63.321 62.300 -0.243 0.000 1.073 558 V CB -0.016 31.681 31.823 -0.211 0.000 0.699 558 V HN 0.222 nan 8.190 nan 0.000 0.463 559 L N -2.550 118.313 121.223 -0.600 0.000 2.575 559 L HA 0.183 4.521 4.340 -0.004 0.000 0.228 559 L C 1.702 177.984 176.870 -0.981 0.000 1.075 559 L CA 0.732 55.009 54.840 -0.938 0.000 0.867 559 L CB 0.008 41.213 42.059 -1.422 0.000 1.097 559 L HN 0.323 nan 8.230 nan 0.000 0.485 560 Y N -1.079 118.993 120.300 -0.380 0.000 2.441 560 Y HA 0.442 4.990 4.550 -0.004 0.000 0.266 560 Y C 1.499 177.181 175.900 -0.363 0.000 1.093 560 Y CA 0.004 57.892 58.100 -0.353 0.000 1.246 560 Y CB 0.624 38.846 38.460 -0.397 0.000 1.262 560 Y HN -0.042 nan 8.280 nan 0.000 0.518 561 A N 1.191 123.746 122.820 -0.441 0.000 2.749 561 A HA 0.309 4.627 4.320 -0.004 0.000 0.299 561 A C 0.455 177.835 177.584 -0.340 0.000 1.105 561 A CA -0.201 51.604 52.037 -0.387 0.000 0.987 561 A CB -0.967 17.860 19.000 -0.287 0.000 1.180 561 A HN 0.192 nan 8.150 nan 0.000 0.528 562 T N -3.091 111.283 114.554 -0.300 0.000 2.868 562 T HA 0.351 4.698 4.350 -0.004 0.000 0.292 562 T C -1.573 172.964 174.700 -0.272 0.000 1.028 562 T CA -1.163 60.795 62.100 -0.237 0.000 1.059 562 T CB 0.733 69.493 68.868 -0.180 0.000 0.991 562 T HN -0.001 nan 8.240 nan 0.000 0.531 563 P HA -0.132 nan 4.420 nan 0.000 0.217 563 P C 1.639 178.774 177.300 -0.274 0.000 1.151 563 P CA 0.993 63.950 63.100 -0.239 0.000 0.849 563 P CB 0.111 31.704 31.700 -0.177 0.000 0.787 564 E N -0.656 119.408 120.200 -0.227 0.000 2.028 564 E HA -0.086 4.261 4.350 -0.004 0.000 0.191 564 E C 2.077 178.550 176.600 -0.212 0.000 0.988 564 E CA 1.053 57.322 56.400 -0.219 0.000 0.799 564 E CB -0.969 28.641 29.700 -0.150 0.000 0.755 564 E HN 0.068 nan 8.360 nan 0.000 0.447 565 V N 1.683 121.503 119.914 -0.156 0.000 2.626 565 V HA -0.162 3.956 4.120 -0.004 0.000 0.252 565 V C 2.007 177.986 176.094 -0.193 0.000 1.067 565 V CA 1.807 64.067 62.300 -0.067 0.000 1.081 565 V CB -0.528 31.312 31.823 0.029 0.000 0.686 565 V HN 0.230 nan 8.190 nan 0.000 0.468 566 S N -1.657 113.740 115.700 -0.503 0.000 2.583 566 S HA 0.174 4.642 4.470 -0.004 0.000 0.239 566 S C 1.371 175.681 174.600 -0.482 0.000 0.966 566 S CA -0.357 57.342 58.200 -0.836 0.000 0.973 566 S CB -0.073 62.152 63.200 -1.626 0.000 0.794 566 S HN 0.492 nan 8.310 nan 0.000 0.463 567 K N 0.709 120.793 120.400 -0.528 0.000 2.074 567 K HA -0.026 4.292 4.320 -0.004 0.000 0.209 567 K C -0.438 175.869 176.600 -0.487 0.000 1.048 567 K CA 1.174 57.063 56.287 -0.664 0.000 0.926 567 K CB -0.210 31.541 32.500 -1.248 0.000 0.713 567 K HN 0.522 nan 8.250 nan 0.000 0.444 568 F N 2.361 122.311 119.950 0.000 0.000 2.390 568 F HA 0.191 4.716 4.527 -0.004 0.000 0.361 568 F C -1.911 173.985 175.800 0.159 0.000 1.124 568 F CA -2.857 55.185 58.000 0.071 0.000 1.149 568 F CB 0.622 39.636 39.000 0.024 0.000 1.160 568 F HN -0.062 nan 8.300 nan 0.000 0.501 569 P HA 0.048 nan 4.420 nan 0.000 0.274 569 P C 0.824 178.225 177.300 0.169 0.000 1.231 569 P CA -0.249 62.970 63.100 0.198 0.000 0.790 569 P CB 1.652 33.427 31.700 0.125 0.000 0.951 570 V N 1.604 121.578 119.914 0.100 0.000 2.546 570 V HA -0.266 3.852 4.120 -0.004 0.000 0.254 570 V C 2.549 178.621 176.094 -0.036 0.000 1.076 570 V CA 2.620 64.911 62.300 -0.015 0.000 1.087 570 V CB -1.968 29.837 31.823 -0.029 0.000 0.674 570 V HN 0.716 nan 8.190 nan 0.000 0.470 571 S N 0.139 115.848 115.700 0.014 0.000 2.419 571 S HA -0.274 4.194 4.470 -0.004 0.000 0.235 571 S C 1.722 176.329 174.600 0.011 0.000 1.019 571 S CA 1.631 59.836 58.200 0.010 0.000 0.982 571 S CB -0.527 62.690 63.200 0.028 0.000 0.789 571 S HN 0.734 nan 8.310 nan 0.000 0.490 572 E N 0.941 121.165 120.200 0.041 0.000 2.160 572 E HA 0.009 4.357 4.350 -0.004 0.000 0.195 572 E C 0.119 176.706 176.600 -0.022 0.000 0.991 572 E CA 0.491 56.927 56.400 0.061 0.000 0.810 572 E CB -0.358 29.451 29.700 0.182 0.000 0.742 572 E HN 0.587 nan 8.360 nan 0.000 0.466 573 L N 1.335 122.468 121.223 -0.151 0.000 2.453 573 L HA 0.100 4.438 4.340 -0.004 0.000 0.272 573 L C 0.484 177.289 176.870 -0.108 0.000 1.182 573 L CA -0.716 54.002 54.840 -0.204 0.000 0.858 573 L CB 0.345 42.212 42.059 -0.320 0.000 1.120 573 L HN 0.019 nan 8.230 nan 0.000 0.474 574 A N 2.462 125.227 122.820 -0.091 0.000 2.587 574 A HA -0.085 4.233 4.320 -0.004 0.000 0.233 574 A C 1.379 178.923 177.584 -0.066 0.000 1.049 574 A CA 0.194 52.193 52.037 -0.063 0.000 0.754 574 A CB 0.017 18.983 19.000 -0.057 0.000 0.977 574 A HN 0.975 nan 8.150 nan 0.000 0.509 575 E N 0.762 120.934 120.200 -0.046 0.000 2.160 575 E HA -0.231 4.117 4.350 -0.004 0.000 0.195 575 E C 0.596 177.168 176.600 -0.047 0.000 0.991 575 E CA 1.633 58.008 56.400 -0.042 0.000 0.810 575 E CB 0.020 29.703 29.700 -0.028 0.000 0.742 575 E HN 0.845 nan 8.360 nan 0.000 0.466 576 D N -0.288 120.085 120.400 -0.046 0.000 2.402 576 D HA -0.056 4.582 4.640 -0.004 0.000 0.216 576 D C 0.183 176.450 176.300 -0.055 0.000 1.128 576 D CA -0.204 53.769 54.000 -0.045 0.000 0.833 576 D CB -0.169 40.610 40.800 -0.035 0.000 0.971 576 D HN 0.123 nan 8.370 nan 0.000 0.503 577 Q N 1.171 120.928 119.800 -0.070 0.000 2.295 577 Q HA 0.176 4.514 4.340 -0.004 0.000 0.259 577 Q C -0.569 175.374 176.000 -0.096 0.000 0.976 577 Q CA -0.709 55.043 55.803 -0.086 0.000 0.923 577 Q CB 0.815 29.486 28.738 -0.113 0.000 1.185 577 Q HN 0.023 nan 8.270 nan 0.000 0.410 578 L N 4.094 125.269 121.223 -0.080 0.000 2.453 578 L HA 0.136 4.474 4.340 -0.004 0.000 0.272 578 L C -0.023 176.787 176.870 -0.100 0.000 1.182 578 L CA 0.939 55.731 54.840 -0.079 0.000 0.858 578 L CB 0.202 42.226 42.059 -0.058 0.000 1.120 578 L HN 0.839 nan 8.230 nan 0.000 0.474 579 N N 0.820 119.454 118.700 -0.109 0.000 3.153 579 N HA 0.102 4.840 4.740 -0.004 0.000 0.208 579 N C 0.044 175.491 175.510 -0.106 0.000 1.462 579 N CA -0.210 52.767 53.050 -0.121 0.000 0.754 579 N CB 0.436 38.807 38.487 -0.193 0.000 1.558 579 N HN 0.468 nan 8.380 nan 0.000 0.605 580 D N 1.234 121.585 120.400 -0.082 0.000 2.116 580 D HA -0.203 4.435 4.640 -0.004 0.000 0.193 580 D C 1.175 177.444 176.300 -0.052 0.000 0.998 580 D CA 1.746 55.700 54.000 -0.078 0.000 0.836 580 D CB 0.275 41.015 40.800 -0.099 0.000 0.951 580 D HN 0.623 nan 8.370 nan 0.000 0.449 581 E N 0.425 120.607 120.200 -0.030 0.000 2.031 581 E HA -0.094 4.254 4.350 -0.004 0.000 0.193 581 E C 2.281 178.817 176.600 -0.106 0.000 0.994 581 E CA 1.264 57.667 56.400 0.006 0.000 0.800 581 E CB -0.336 29.363 29.700 -0.001 0.000 0.752 581 E HN 0.037 nan 8.360 nan 0.000 0.447 582 S N 0.255 115.862 115.700 -0.155 0.000 2.368 582 S HA -0.081 4.387 4.470 -0.004 0.000 0.224 582 S C 1.823 176.318 174.600 -0.176 0.000 1.029 582 S CA 0.875 58.944 58.200 -0.219 0.000 0.988 582 S CB -0.144 62.941 63.200 -0.192 0.000 0.838 582 S HN 0.177 nan 8.310 nan 0.000 0.462 583 R N 0.863 121.284 120.500 -0.132 0.000 2.115 583 R HA -0.048 4.290 4.340 -0.004 0.000 0.230 583 R C 2.388 178.648 176.300 -0.067 0.000 1.111 583 R CA 1.105 57.148 56.100 -0.095 0.000 0.976 583 R CB -0.178 30.071 30.300 -0.085 0.000 0.870 583 R HN 0.555 nan 8.270 nan 0.000 0.445 584 E N 1.059 121.224 120.200 -0.059 0.000 2.016 584 E HA -0.111 4.237 4.350 -0.004 0.000 0.190 584 E C 1.718 178.287 176.600 -0.052 0.000 0.985 584 E CA 0.745 57.130 56.400 -0.024 0.000 0.802 584 E CB 0.081 29.809 29.700 0.048 0.000 0.762 584 E HN 0.206 nan 8.360 nan 0.000 0.448 585 L N -0.323 120.825 121.223 -0.125 0.000 2.552 585 L HA 0.172 4.510 4.340 -0.004 0.000 0.227 585 L C 1.414 178.221 176.870 -0.105 0.000 1.146 585 L CA 0.473 55.219 54.840 -0.157 0.000 0.858 585 L CB 0.059 41.917 42.059 -0.335 0.000 0.969 585 L HN 0.499 nan 8.230 nan 0.000 0.451 586 G N 0.702 109.445 108.800 -0.095 0.000 2.143 586 G HA2 -0.313 3.645 3.960 -0.004 0.000 0.248 586 G HA3 -0.313 3.645 3.960 -0.004 0.000 0.248 586 G C 0.040 175.048 174.900 0.180 0.000 0.991 586 G CA 0.389 45.515 45.100 0.043 0.000 0.689 586 G HN 0.413 nan 8.290 nan 0.000 0.522 587 F N -3.694 116.285 119.950 0.047 0.000 2.686 587 F HA 0.621 5.146 4.527 -0.004 0.000 0.311 587 F C -0.080 175.789 175.800 0.115 0.000 1.128 587 F CA -2.611 55.432 58.000 0.072 0.000 0.946 587 F CB 0.927 39.967 39.000 0.066 0.000 1.336 587 F HN 0.006 nan 8.300 nan 0.000 0.457 588 Y N 3.395 123.827 120.300 0.220 0.000 2.518 588 Y HA 0.146 4.693 4.550 -0.004 0.000 0.337 588 Y C 1.301 177.227 175.900 0.043 0.000 1.261 588 Y CA -0.714 57.408 58.100 0.037 0.000 1.856 588 Y CB 0.387 38.855 38.460 0.013 0.000 1.798 588 Y HN 0.781 nan 8.280 nan 0.000 0.440 589 L N 3.084 124.377 121.223 0.117 0.000 2.012 589 L HA -0.292 4.046 4.340 -0.004 0.000 0.210 589 L C 1.934 178.731 176.870 -0.122 0.000 1.073 589 L CA 2.023 56.874 54.840 0.017 0.000 0.748 589 L CB -0.303 41.624 42.059 -0.220 0.000 0.891 589 L HN 0.538 nan 8.230 nan 0.000 0.431 590 Q N -0.278 119.304 119.800 -0.363 0.000 2.096 590 Q HA -0.261 4.077 4.340 -0.004 0.000 0.204 590 Q C 2.291 177.750 176.000 -0.902 0.000 0.982 590 Q CA 2.334 57.594 55.803 -0.906 0.000 0.850 590 Q CB -0.388 27.449 28.738 -1.501 0.000 0.901 590 Q HN 0.566 nan 8.270 nan 0.000 0.422 591 K N -0.259 119.357 120.400 -1.307 0.000 2.103 591 K HA -0.066 4.252 4.320 -0.004 0.000 0.204 591 K C 1.984 178.294 176.600 -0.483 0.000 1.052 591 K CA 1.274 56.563 56.287 -1.664 0.000 0.945 591 K CB -0.336 30.559 32.500 -2.676 0.000 0.722 591 K HN 0.273 nan 8.250 nan 0.000 0.443 592 G N 1.599 110.359 108.800 -0.067 0.000 2.402 592 G HA2 -0.188 3.769 3.960 -0.004 0.000 0.216 592 G HA3 -0.188 3.769 3.960 -0.004 0.000 0.216 592 G C 1.508 176.549 174.900 0.235 0.000 1.162 592 G CA 0.523 45.797 45.100 0.290 0.000 0.777 592 G HN 0.188 nan 8.290 nan 0.000 0.539 593 L N -0.836 120.515 121.223 0.213 0.000 2.017 593 L HA -0.025 4.312 4.340 -0.004 0.000 0.208 593 L C 2.582 179.618 176.870 0.277 0.000 1.073 593 L CA 1.167 56.207 54.840 0.333 0.000 0.745 593 L CB -0.440 41.838 42.059 0.366 0.000 0.894 593 L HN 0.241 nan 8.230 nan 0.000 0.432 594 F N 0.855 120.902 119.950 0.160 0.000 2.134 594 F HA -0.224 4.301 4.527 -0.004 0.000 0.299 594 F C 2.615 178.578 175.800 0.271 0.000 1.097 594 F CA 1.552 59.747 58.000 0.326 0.000 1.264 594 F CB 0.015 39.336 39.000 0.534 0.000 1.001 594 F HN 0.036 nan 8.300 nan 0.000 0.479 595 E N 0.024 120.442 120.200 0.362 0.000 2.216 595 E HA -0.190 4.157 4.350 -0.004 0.000 0.192 595 E C 2.083 178.800 176.600 0.194 0.000 0.988 595 E CA 0.827 57.410 56.400 0.306 0.000 0.834 595 E CB -0.313 29.606 29.700 0.365 0.000 0.772 595 E HN 0.621 nan 8.360 nan 0.000 0.479 596 E N -0.113 120.200 120.200 0.187 0.000 2.112 596 E HA -0.165 4.183 4.350 -0.004 0.000 0.190 596 E C 1.945 178.660 176.600 0.192 0.000 0.979 596 E CA 0.443 56.949 56.400 0.177 0.000 0.814 596 E CB -0.040 29.845 29.700 0.309 0.000 0.762 596 E HN 0.216 nan 8.360 nan 0.000 0.460 597 Y N 0.744 120.948 120.300 -0.160 0.000 2.220 597 Y HA -0.010 4.538 4.550 -0.004 0.000 0.291 597 Y C 1.987 177.842 175.900 -0.074 0.000 1.129 597 Y CA 1.495 59.407 58.100 -0.315 0.000 1.161 597 Y CB -0.630 37.165 38.460 -1.109 0.000 0.997 597 Y HN 0.056 nan 8.280 nan 0.000 0.522 598 A N -0.022 122.486 122.820 -0.520 0.000 1.978 598 A HA -0.244 4.074 4.320 -0.004 0.000 0.220 598 A C 2.092 179.519 177.584 -0.261 0.000 1.170 598 A CA 1.470 53.165 52.037 -0.570 0.000 0.636 598 A CB -1.818 16.974 19.000 -0.345 0.000 0.810 598 A HN 0.844 nan 8.150 nan 0.000 0.448 599 W N 0.051 121.169 121.300 -0.303 0.000 2.325 599 W HA -0.262 4.395 4.660 -0.004 0.000 0.299 599 W C 1.585 177.890 176.519 -0.356 0.000 1.215 599 W CA 2.173 59.332 57.345 -0.310 0.000 1.244 599 W CB -0.432 28.796 29.460 -0.387 0.000 1.140 599 W HN 0.350 nan 8.180 nan 0.000 0.523 600 F N -0.190 119.677 119.950 -0.138 0.000 2.102 600 F HA -0.077 4.448 4.527 -0.004 0.000 0.298 600 F C 2.620 178.132 175.800 -0.480 0.000 1.105 600 F CA 1.871 59.658 58.000 -0.355 0.000 1.239 600 F CB -1.213 37.644 39.000 -0.239 0.000 0.991 600 F HN -0.032 nan 8.300 nan 0.000 0.474 601 G N -0.647 108.019 108.800 -0.223 0.000 2.539 601 G HA2 -0.013 3.945 3.960 -0.004 0.000 0.215 601 G HA3 -0.013 3.945 3.960 -0.004 0.000 0.215 601 G C 0.568 175.451 174.900 -0.028 0.000 1.141 601 G CA -0.363 44.647 45.100 -0.151 0.000 0.806 601 G HN 0.066 nan 8.290 nan 0.000 0.533 602 R N 0.160 120.594 120.500 -0.109 0.000 2.537 602 R HA 0.338 4.676 4.340 -0.004 0.000 0.281 602 R C 1.485 177.764 176.300 -0.035 0.000 0.988 602 R CA 1.017 57.081 56.100 -0.059 0.000 1.077 602 R CB 0.169 30.406 30.300 -0.106 0.000 0.932 602 R HN 0.327 nan 8.270 nan 0.000 0.409 603 G N 2.157 110.963 108.800 0.009 0.000 2.168 603 G HA2 -0.322 3.635 3.960 -0.004 0.000 0.263 603 G HA3 -0.322 3.635 3.960 -0.004 0.000 0.263 603 G C 0.021 174.756 174.900 -0.275 0.000 0.977 603 G CA 0.609 45.653 45.100 -0.094 0.000 0.659 603 G HN 0.806 nan 8.290 nan 0.000 0.533 604 H N -1.246 117.835 119.070 0.020 0.000 2.549 604 H HA 0.462 5.016 4.556 -0.004 0.000 0.253 604 H C 1.650 176.898 175.328 -0.133 0.000 1.170 604 H CA 0.417 56.447 56.048 -0.030 0.000 0.943 604 H CB 0.610 30.352 29.762 -0.033 0.000 1.849 604 H HN 1.121 nan 8.280 nan 0.000 0.603 605 G N 0.361 108.970 108.800 -0.318 0.000 2.199 605 G HA2 -0.321 3.637 3.960 -0.004 0.000 0.254 605 G HA3 -0.321 3.637 3.960 -0.004 0.000 0.254 605 G C 0.699 175.440 174.900 -0.265 0.000 0.982 605 G CA 0.295 45.060 45.100 -0.558 0.000 0.632 605 G HN 0.549 nan 8.290 nan 0.000 0.529 606 H N 0.757 119.770 119.070 -0.095 0.000 2.672 606 H HA 0.181 4.735 4.556 -0.004 0.000 0.277 606 H C -0.002 175.160 175.328 -0.276 0.000 1.074 606 H CA 0.009 55.824 56.048 -0.388 0.000 1.173 606 H CB 0.336 29.769 29.762 -0.549 0.000 1.558 606 H HN 0.471 nan 8.280 nan 0.000 0.539 607 D N 2.188 122.648 120.400 0.101 0.000 2.854 607 D HA -0.066 4.571 4.640 -0.004 0.000 0.243 607 D C 0.065 176.464 176.300 0.166 0.000 1.243 607 D CA 0.522 54.594 54.000 0.121 0.000 0.883 607 D CB 0.428 41.340 40.800 0.187 0.000 1.145 607 D HN 0.212 nan 8.370 nan 0.000 0.555 608 L N 2.063 123.344 121.223 0.097 0.000 2.326 608 L HA 0.444 4.782 4.340 -0.004 0.000 0.278 608 L C 0.978 178.056 176.870 0.348 0.000 1.092 608 L CA -1.008 53.999 54.840 0.279 0.000 0.810 608 L CB 1.009 43.182 42.059 0.190 0.000 1.153 608 L HN 0.428 nan 8.230 nan 0.000 0.439 609 A N 4.745 127.825 122.820 0.433 0.000 2.448 609 A HA 0.341 4.659 4.320 -0.004 0.000 0.239 609 A C -2.232 175.528 177.584 0.293 0.000 1.080 609 A CA -0.983 51.145 52.037 0.152 0.000 0.779 609 A CB -0.635 18.132 19.000 -0.389 0.000 1.026 609 A HN 0.477 nan 8.150 nan 0.000 0.499 610 P HA -0.029 nan 4.420 nan 0.000 0.260 610 P C 0.747 178.190 177.300 0.237 0.000 1.172 610 P CA 0.177 63.400 63.100 0.205 0.000 0.760 610 P CB 0.062 31.816 31.700 0.090 0.000 0.773 611 F N 4.525 124.623 119.950 0.247 0.000 2.080 611 F HA -0.404 4.121 4.527 -0.004 0.000 0.289 611 F C 1.698 177.506 175.800 0.013 0.000 1.101 611 F CA 2.302 60.350 58.000 0.080 0.000 1.267 611 F CB -0.543 38.464 39.000 0.011 0.000 0.943 611 F HN 0.357 nan 8.300 nan 0.000 0.508 612 D N -0.088 120.411 120.400 0.165 0.000 2.309 612 D HA -0.159 4.479 4.640 -0.004 0.000 0.212 612 D C 1.689 177.939 176.300 -0.083 0.000 0.968 612 D CA 1.408 55.464 54.000 0.093 0.000 0.882 612 D CB -0.503 40.394 40.800 0.162 0.000 0.918 612 D HN 0.481 nan 8.370 nan 0.000 0.503 613 D N -0.002 120.278 120.400 -0.199 0.000 2.178 613 D HA -0.127 4.511 4.640 -0.004 0.000 0.202 613 D C 1.817 177.836 176.300 -0.468 0.000 0.974 613 D CA 0.710 54.520 54.000 -0.317 0.000 0.841 613 D CB -0.435 40.138 40.800 -0.379 0.000 0.953 613 D HN 0.398 nan 8.370 nan 0.000 0.478 614 Y N 0.119 120.029 120.300 -0.649 0.000 2.314 614 Y HA -0.089 4.459 4.550 -0.004 0.000 0.293 614 Y C 2.365 177.899 175.900 -0.611 0.000 1.129 614 Y CA 0.775 58.334 58.100 -0.902 0.000 1.201 614 Y CB -0.224 37.040 38.460 -1.994 0.000 0.999 614 Y HN 0.150 nan 8.280 nan 0.000 0.541 615 H N 0.656 119.555 119.070 -0.284 0.000 2.543 615 H HA -0.062 4.492 4.556 -0.004 0.000 0.286 615 H C 1.454 176.777 175.328 -0.008 0.000 1.037 615 H CA 1.031 57.066 56.048 -0.021 0.000 1.250 615 H CB 0.260 30.045 29.762 0.039 0.000 1.373 615 H HN 0.487 nan 8.280 nan 0.000 0.580 616 K N -0.120 120.306 120.400 0.042 0.000 2.190 616 K HA 0.253 4.571 4.320 -0.004 0.000 0.202 616 K C 1.248 177.851 176.600 0.004 0.000 1.045 616 K CA 0.378 56.678 56.287 0.023 0.000 0.976 616 K CB 0.404 32.897 32.500 -0.012 0.000 0.849 616 K HN 0.004 nan 8.250 nan 0.000 0.468 617 A N 1.827 124.616 122.820 -0.052 0.000 2.406 617 A HA 0.157 4.475 4.320 -0.004 0.000 0.243 617 A C 0.043 177.639 177.584 0.019 0.000 1.082 617 A CA -0.126 51.885 52.037 -0.043 0.000 0.786 617 A CB 0.161 19.091 19.000 -0.116 0.000 1.029 617 A HN 0.180 nan 8.150 nan 0.000 0.495 618 R N 0.668 121.189 120.500 0.034 0.000 4.464 618 R HA 0.421 4.759 4.340 -0.004 0.000 0.229 618 R C 0.726 177.077 176.300 0.085 0.000 1.916 618 R CA 1.165 57.308 56.100 0.072 0.000 1.601 618 R CB -0.589 29.750 30.300 0.065 0.000 1.315 618 R HN 1.552 nan 8.270 nan 0.000 0.725 619 G N -0.071 108.788 108.800 0.097 0.000 2.712 619 G HA2 -0.195 3.763 3.960 -0.004 0.000 0.686 619 G HA3 -0.195 3.763 3.960 -0.004 0.000 0.686 619 G C -1.150 173.808 174.900 0.097 0.000 1.321 619 G CA -1.060 44.133 45.100 0.154 0.000 0.813 619 G HN 0.223 nan 8.290 nan 0.000 0.599 620 L N 0.502 121.843 121.223 0.198 0.000 2.436 620 L HA 0.588 4.926 4.340 -0.004 0.000 0.268 620 L C 0.585 177.571 176.870 0.193 0.000 0.974 620 L CA -0.912 53.992 54.840 0.106 0.000 0.826 620 L CB 2.313 44.324 42.059 -0.080 0.000 1.291 620 L HN 0.640 nan 8.230 nan 0.000 0.406 621 R N 3.224 123.746 120.500 0.036 0.000 2.234 621 R HA 0.234 4.572 4.340 -0.004 0.000 0.324 621 R C -0.579 175.710 176.300 -0.019 0.000 1.054 621 R CA -0.400 55.654 56.100 -0.078 0.000 0.912 621 R CB 0.779 30.941 30.300 -0.230 0.000 1.030 621 R HN 0.578 nan 8.270 nan 0.000 0.455 622 W N 3.289 124.616 121.300 0.045 0.000 2.183 622 W HA 0.387 5.045 4.660 -0.004 0.000 0.348 622 W C -2.619 173.898 176.519 -0.004 0.000 1.257 622 W CA -2.857 54.521 57.345 0.054 0.000 1.324 622 W CB -0.258 29.265 29.460 0.104 0.000 1.144 622 W HN 0.298 nan 8.180 nan 0.000 0.622 623 P HA 0.078 nan 4.420 nan 0.000 0.271 623 P C -0.338 177.115 177.300 0.255 0.000 1.220 623 P CA -0.022 63.341 63.100 0.438 0.000 0.768 623 P CB 1.162 33.119 31.700 0.428 0.000 0.848 624 V N 5.069 125.124 119.914 0.234 0.000 2.333 624 V HA 0.266 4.384 4.120 -0.004 0.000 0.274 624 V C 0.218 176.363 176.094 0.085 0.000 1.028 624 V CA -0.404 61.969 62.300 0.121 0.000 0.851 624 V CB 1.528 33.411 31.823 0.101 0.000 1.000 624 V HN 0.254 nan 8.190 nan 0.000 0.456 625 V N 4.967 124.902 119.914 0.036 0.000 2.525 625 V HA 0.484 4.602 4.120 -0.004 0.000 0.299 625 V C 0.104 176.180 176.094 -0.030 0.000 1.034 625 V CA -0.961 61.336 62.300 -0.005 0.000 0.863 625 V CB 1.677 33.471 31.823 -0.050 0.000 0.999 625 V HN 0.933 nan 8.190 nan 0.000 0.423 626 N N 4.004 122.685 118.700 -0.031 0.000 2.714 626 N HA -0.218 4.520 4.740 -0.004 0.000 0.253 626 N C 1.204 176.695 175.510 -0.032 0.000 1.024 626 N CA 1.572 54.602 53.050 -0.033 0.000 0.726 626 N CB -0.975 37.485 38.487 -0.045 0.000 0.908 626 N HN 1.609 nan 8.380 nan 0.000 0.542 627 G N -1.023 107.758 108.800 -0.033 0.000 2.225 627 G HA2 -0.365 3.593 3.960 -0.004 0.000 0.254 627 G HA3 -0.365 3.593 3.960 -0.004 0.000 0.254 627 G C 0.003 174.873 174.900 -0.049 0.000 0.988 627 G CA 0.837 45.909 45.100 -0.046 0.000 0.625 627 G HN 0.659 nan 8.290 nan 0.000 0.527 628 K N 1.541 121.919 120.400 -0.036 0.000 2.307 628 K HA 0.490 4.808 4.320 -0.004 0.000 0.263 628 K C 0.601 177.187 176.600 -0.023 0.000 0.973 628 K CA -0.394 55.874 56.287 -0.031 0.000 0.846 628 K CB 0.786 33.270 32.500 -0.026 0.000 1.100 628 K HN 0.541 nan 8.250 nan 0.000 0.438 629 E N 2.007 122.186 120.200 -0.036 0.000 2.349 629 E HA 0.195 4.543 4.350 -0.004 0.000 0.262 629 E C -0.966 175.603 176.600 -0.053 0.000 1.088 629 E CA -0.657 55.722 56.400 -0.035 0.000 0.899 629 E CB 1.089 30.754 29.700 -0.058 0.000 1.044 629 E HN 0.245 nan 8.360 nan 0.000 0.420 630 T N 2.092 116.602 114.554 -0.072 0.000 2.770 630 T HA 0.123 4.470 4.350 -0.004 0.000 0.283 630 T C 0.295 174.836 174.700 -0.265 0.000 0.988 630 T CA -0.515 61.519 62.100 -0.110 0.000 0.957 630 T CB 1.452 70.292 68.868 -0.048 0.000 0.930 630 T HN 0.539 nan 8.240 nan 0.000 0.443 631 Q N 1.830 121.413 119.800 -0.362 0.000 2.226 631 Q HA 0.136 4.474 4.340 -0.004 0.000 0.199 631 Q C -0.078 175.338 176.000 -0.974 0.000 0.945 631 Q CA 0.649 55.972 55.803 -0.798 0.000 0.861 631 Q CB 0.611 28.591 28.738 -1.264 0.000 0.953 631 Q HN 0.615 nan 8.270 nan 0.000 0.490 632 W N 1.243 122.504 121.300 -0.065 0.000 2.600 632 W HA 0.488 5.146 4.660 -0.004 0.000 0.325 632 W C -0.449 176.009 176.519 -0.102 0.000 1.034 632 W CA -0.783 56.525 57.345 -0.061 0.000 1.226 632 W CB 0.993 30.454 29.460 0.002 0.000 1.379 632 W HN -0.048 nan 8.180 nan 0.000 0.466 633 R N 2.181 122.659 120.500 -0.037 0.000 2.407 633 R HA 0.380 4.717 4.340 -0.004 0.000 0.303 633 R C -0.654 175.535 176.300 -0.184 0.000 0.981 633 R CA -0.418 55.501 56.100 -0.302 0.000 0.905 633 R CB 1.150 30.945 30.300 -0.842 0.000 1.099 633 R HN 0.452 nan 8.270 nan 0.000 0.459 634 Y N -2.127 118.268 120.300 0.159 0.000 4.911 634 Y HA -0.292 4.256 4.550 -0.004 0.000 0.278 634 Y C -0.044 175.827 175.900 -0.048 0.000 0.869 634 Y CA 0.324 58.438 58.100 0.025 0.000 1.736 634 Y CB -2.371 35.991 38.460 -0.164 0.000 1.151 634 Y HN 0.582 nan 8.280 nan 0.000 0.489 635 S N 0.280 116.053 115.700 0.122 0.000 2.509 635 S HA 0.540 5.008 4.470 -0.004 0.000 0.297 635 S C -0.155 174.364 174.600 -0.134 0.000 1.118 635 S CA -0.924 57.185 58.200 -0.151 0.000 1.074 635 S CB 2.745 65.866 63.200 -0.131 0.000 1.038 635 S HN 0.262 nan 8.310 nan 0.000 0.498 636 E N 0.704 120.759 120.200 -0.241 0.000 2.481 636 E HA 0.305 4.652 4.350 -0.004 0.000 0.263 636 E C 1.428 177.974 176.600 -0.091 0.000 0.992 636 E CA 1.318 57.636 56.400 -0.137 0.000 0.938 636 E CB -0.069 29.542 29.700 -0.148 0.000 0.933 636 E HN 1.113 nan 8.360 nan 0.000 0.453 637 G N 4.458 113.230 108.800 -0.048 0.000 2.640 637 G HA2 -0.348 3.610 3.960 -0.004 0.000 0.226 637 G HA3 -0.348 3.610 3.960 -0.004 0.000 0.226 637 G C 0.920 175.832 174.900 0.020 0.000 1.222 637 G CA 0.407 45.493 45.100 -0.022 0.000 0.729 637 G HN 0.646 nan 8.290 nan 0.000 0.516 638 N N 1.252 119.984 118.700 0.053 0.000 2.395 638 N HA 0.089 4.827 4.740 -0.004 0.000 0.175 638 N C -0.012 175.562 175.510 0.106 0.000 1.029 638 N CA 1.170 54.305 53.050 0.142 0.000 0.897 638 N CB 0.271 38.930 38.487 0.286 0.000 0.991 638 N HN 0.560 nan 8.380 nan 0.000 0.441 639 D N 0.962 121.410 120.400 0.080 0.000 2.481 639 D HA 0.188 4.826 4.640 -0.004 0.000 0.246 639 D C -2.018 174.307 176.300 0.042 0.000 1.109 639 D CA -2.082 51.975 54.000 0.095 0.000 0.845 639 D CB 2.344 43.239 40.800 0.158 0.000 1.160 639 D HN -0.065 nan 8.370 nan 0.000 0.534 640 P HA -0.063 nan 4.420 nan 0.000 0.239 640 P C 0.535 177.659 177.300 -0.294 0.000 1.184 640 P CA 0.417 63.424 63.100 -0.156 0.000 0.760 640 P CB 0.009 31.576 31.700 -0.221 0.000 0.884 641 Y N -0.520 119.664 120.300 -0.194 0.000 2.466 641 Y HA 0.081 4.629 4.550 -0.004 0.000 0.272 641 Y C 1.189 176.889 175.900 -0.333 0.000 1.169 641 Y CA 0.022 57.888 58.100 -0.389 0.000 1.285 641 Y CB 0.255 38.205 38.460 -0.851 0.000 1.078 641 Y HN -0.280 nan 8.280 nan 0.000 0.523 642 V N 1.198 121.085 119.914 -0.045 0.000 2.383 642 V HA 0.185 4.303 4.120 -0.004 0.000 0.275 642 V C 0.144 176.210 176.094 -0.046 0.000 1.036 642 V CA -1.465 60.823 62.300 -0.020 0.000 0.889 642 V CB 1.194 33.023 31.823 0.010 0.000 0.985 642 V HN 0.020 nan 8.190 nan 0.000 0.459 643 K N 2.670 123.047 120.400 -0.038 0.000 2.149 643 K HA 0.596 4.914 4.320 -0.004 0.000 0.245 643 K C 0.564 177.144 176.600 -0.033 0.000 1.024 643 K CA -0.066 56.196 56.287 -0.041 0.000 0.899 643 K CB 0.517 32.999 32.500 -0.030 0.000 1.038 643 K HN 0.881 nan 8.250 nan 0.000 0.496 644 A N 0.811 123.611 122.820 -0.032 0.000 2.548 644 A HA 0.352 4.670 4.320 -0.004 0.000 0.247 644 A C 1.064 178.639 177.584 -0.016 0.000 1.067 644 A CA 0.803 52.824 52.037 -0.027 0.000 0.757 644 A CB -0.983 18.002 19.000 -0.025 0.000 0.996 644 A HN 0.889 nan 8.150 nan 0.000 0.504 645 G N 1.832 110.624 108.800 -0.015 0.000 2.179 645 G HA2 -0.250 3.707 3.960 -0.004 0.000 0.260 645 G HA3 -0.250 3.707 3.960 -0.004 0.000 0.260 645 G C 0.532 175.444 174.900 0.020 0.000 0.977 645 G CA 0.698 45.798 45.100 0.001 0.000 0.641 645 G HN 0.802 nan 8.290 nan 0.000 0.533 646 E N -0.159 120.051 120.200 0.016 0.000 2.299 646 E HA 0.278 4.625 4.350 -0.004 0.000 0.193 646 E C 2.360 179.012 176.600 0.087 0.000 0.998 646 E CA 0.751 57.185 56.400 0.056 0.000 0.851 646 E CB -0.121 29.602 29.700 0.038 0.000 0.795 646 E HN 1.238 nan 8.360 nan 0.000 0.492 647 G N 1.151 109.942 108.800 -0.015 0.000 4.861 647 G HA2 -0.334 3.624 3.960 -0.004 0.000 0.226 647 G HA3 -0.334 3.624 3.960 -0.004 0.000 0.226 647 G C -0.001 174.621 174.900 -0.464 0.000 1.350 647 G CA 0.999 46.027 45.100 -0.121 0.000 1.018 647 G HN 0.314 nan 8.290 nan 0.000 0.712 648 Y N 0.501 120.626 120.300 -0.292 0.000 2.386 648 Y HA 0.679 5.227 4.550 -0.004 0.000 0.334 648 Y C 0.078 175.643 175.900 -0.558 0.000 1.002 648 Y CA -0.711 57.040 58.100 -0.582 0.000 1.068 648 Y CB 2.239 40.147 38.460 -0.921 0.000 1.203 648 Y HN 0.269 nan 8.280 nan 0.000 0.443 649 K N 3.834 124.082 120.400 -0.252 0.000 2.450 649 K HA 0.466 4.784 4.320 -0.004 0.000 0.257 649 K C -1.665 174.811 176.600 -0.208 0.000 0.953 649 K CA -0.628 55.602 56.287 -0.096 0.000 0.844 649 K CB 0.644 33.223 32.500 0.132 0.000 1.103 649 K HN 0.540 nan 8.250 nan 0.000 0.429 650 F N 5.584 125.523 119.950 -0.019 0.000 2.541 650 F HA 0.145 4.670 4.527 -0.004 0.000 0.351 650 F C 0.657 176.315 175.800 -0.236 0.000 1.209 650 F CA -0.733 57.036 58.000 -0.385 0.000 1.277 650 F CB -0.281 38.552 39.000 -0.278 0.000 1.632 650 F HN 0.547 nan 8.300 nan 0.000 0.619 651 Y N -1.499 118.807 120.300 0.010 0.000 2.688 651 Y HA 0.187 4.735 4.550 -0.004 0.000 0.311 651 Y C 1.661 177.598 175.900 0.061 0.000 1.185 651 Y CA 0.064 58.197 58.100 0.055 0.000 1.336 651 Y CB -0.856 37.644 38.460 0.067 0.000 1.015 651 Y HN 0.414 nan 8.280 nan 0.000 0.522 652 G N 0.391 109.106 108.800 -0.142 0.000 2.623 652 G HA2 -0.005 3.952 3.960 -0.004 0.000 0.214 652 G HA3 -0.005 3.952 3.960 -0.004 0.000 0.214 652 G C 0.650 175.577 174.900 0.044 0.000 1.138 652 G CA -0.176 44.908 45.100 -0.027 0.000 0.794 652 G HN 0.054 nan 8.290 nan 0.000 0.535 653 K N 0.181 120.605 120.400 0.040 0.000 2.182 653 K HA 0.314 4.632 4.320 -0.004 0.000 0.262 653 K C -1.884 174.750 176.600 0.057 0.000 0.957 653 K CA -2.233 54.077 56.287 0.038 0.000 0.842 653 K CB 2.207 34.706 32.500 -0.001 0.000 1.099 653 K HN -0.234 nan 8.250 nan 0.000 0.438 654 P HA -0.231 nan 4.420 nan 0.000 0.218 654 P C 0.492 177.821 177.300 0.048 0.000 1.152 654 P CA 1.611 64.741 63.100 0.050 0.000 0.857 654 P CB 0.254 31.972 31.700 0.030 0.000 0.787 655 D N -2.964 117.454 120.400 0.031 0.000 2.363 655 D HA 0.128 4.765 4.640 -0.004 0.000 0.214 655 D C 1.302 177.633 176.300 0.052 0.000 1.093 655 D CA 0.441 54.456 54.000 0.025 0.000 0.837 655 D CB -0.722 40.072 40.800 -0.010 0.000 0.948 655 D HN 0.228 nan 8.370 nan 0.000 0.507 656 G N 0.504 109.354 108.800 0.083 0.000 2.162 656 G HA2 -0.312 3.646 3.960 -0.004 0.000 0.260 656 G HA3 -0.312 3.646 3.960 -0.004 0.000 0.260 656 G C 0.032 175.051 174.900 0.198 0.000 0.976 656 G CA 0.350 45.534 45.100 0.139 0.000 0.655 656 G HN 0.479 nan 8.290 nan 0.000 0.533 657 K N 0.414 120.878 120.400 0.107 0.000 2.164 657 K HA 0.743 5.061 4.320 -0.004 0.000 0.258 657 K C 0.606 177.130 176.600 -0.126 0.000 0.951 657 K CA -0.145 56.179 56.287 0.063 0.000 0.844 657 K CB 1.918 34.378 32.500 -0.067 0.000 1.099 657 K HN 0.464 nan 8.250 nan 0.000 0.435 658 A N 1.877 124.458 122.820 -0.399 0.000 2.406 658 A HA 0.316 4.634 4.320 -0.004 0.000 0.243 658 A C -0.287 176.977 177.584 -0.534 0.000 1.082 658 A CA -0.369 51.231 52.037 -0.728 0.000 0.786 658 A CB 0.409 18.672 19.000 -1.227 0.000 1.029 658 A HN 0.433 nan 8.150 nan 0.000 0.495 659 V N 2.976 122.556 119.914 -0.555 0.000 2.409 659 V HA 0.286 4.404 4.120 -0.004 0.000 0.291 659 V C -0.080 175.739 176.094 -0.458 0.000 1.020 659 V CA -0.176 61.816 62.300 -0.514 0.000 0.848 659 V CB 1.242 32.739 31.823 -0.543 0.000 0.990 659 V HN 0.721 nan 8.190 nan 0.000 0.430 660 I N 5.131 125.421 120.570 -0.465 0.000 2.395 660 I HA 0.356 4.524 4.170 -0.004 0.000 0.289 660 I C -0.742 175.066 176.117 -0.515 0.000 1.023 660 I CA 0.183 61.270 61.300 -0.355 0.000 1.350 660 I CB 0.743 38.519 38.000 -0.374 0.000 1.409 660 I HN 0.445 nan 8.210 nan 0.000 0.507 661 F N 5.204 124.985 119.950 -0.281 0.000 2.449 661 F HA 0.540 5.065 4.527 -0.004 0.000 0.342 661 F C 0.469 176.075 175.800 -0.323 0.000 1.127 661 F CA -0.698 57.122 58.000 -0.300 0.000 0.975 661 F CB 1.558 40.388 39.000 -0.283 0.000 1.146 661 F HN 0.400 nan 8.300 nan 0.000 0.444 662 A N 5.899 128.564 122.820 -0.258 0.000 2.354 662 A HA 0.766 5.084 4.320 -0.004 0.000 0.281 662 A C -0.882 176.255 177.584 -0.745 0.000 1.174 662 A CA -0.210 51.496 52.037 -0.551 0.000 0.828 662 A CB -0.005 18.494 19.000 -0.834 0.000 1.099 662 A HN 0.810 nan 8.150 nan 0.000 0.516 663 L N 4.904 125.773 121.223 -0.590 0.000 2.493 663 L HA 0.487 4.825 4.340 -0.004 0.000 0.265 663 L C -2.449 174.368 176.870 -0.088 0.000 0.954 663 L CA -1.807 52.672 54.840 -0.603 0.000 0.844 663 L CB 3.012 44.464 42.059 -1.012 0.000 1.302 663 L HN 0.508 nan 8.230 nan 0.000 0.405 664 P HA 0.165 nan 4.420 nan 0.000 0.278 664 P C -0.813 176.710 177.300 0.373 0.000 1.266 664 P CA -0.515 62.813 63.100 0.380 0.000 0.807 664 P CB 0.877 32.780 31.700 0.338 0.000 1.094 665 F N 0.654 120.788 119.950 0.306 0.000 2.518 665 F HA 0.236 4.761 4.527 -0.004 0.000 0.359 665 F C 0.108 176.111 175.800 0.338 0.000 1.118 665 F CA 0.499 58.680 58.000 0.301 0.000 1.287 665 F CB 0.501 39.669 39.000 0.280 0.000 1.132 665 F HN 0.271 nan 8.300 nan 0.000 0.587 666 E N 6.170 125.977 120.200 -0.655 0.000 2.367 666 E HA 0.368 4.716 4.350 -0.004 0.000 0.273 666 E C -2.586 173.458 176.600 -0.926 0.000 0.903 666 E CA -2.387 53.668 56.400 -0.574 0.000 0.764 666 E CB 2.210 31.871 29.700 -0.066 0.000 1.252 666 E HN 0.351 nan 8.360 nan 0.000 0.446 667 P HA 0.145 nan 4.420 nan 0.000 0.276 667 P C -0.905 176.397 177.300 0.004 0.000 1.244 667 P CA -0.401 62.594 63.100 -0.176 0.000 0.801 667 P CB 0.599 32.371 31.700 0.119 0.000 1.006 668 A N 1.874 124.732 122.820 0.064 0.000 2.555 668 A HA 0.246 4.564 4.320 -0.004 0.000 0.233 668 A C 1.816 179.308 177.584 -0.154 0.000 1.060 668 A CA 0.543 52.604 52.037 0.040 0.000 0.759 668 A CB -0.740 18.379 19.000 0.198 0.000 0.995 668 A HN 0.629 nan 8.150 nan 0.000 0.506 669 A N 1.144 123.732 122.820 -0.387 0.000 1.927 669 A HA -0.096 4.222 4.320 -0.004 0.000 0.220 669 A C 1.067 178.418 177.584 -0.388 0.000 1.185 669 A CA 2.066 53.639 52.037 -0.773 0.000 0.639 669 A CB -0.229 18.397 19.000 -0.623 0.000 0.820 669 A HN 0.896 nan 8.150 nan 0.000 0.451 670 E N -1.205 118.879 120.200 -0.193 0.000 2.283 670 E HA 0.572 4.920 4.350 -0.004 0.000 0.258 670 E C -0.941 175.576 176.600 -0.137 0.000 0.893 670 E CA -0.347 55.958 56.400 -0.158 0.000 0.798 670 E CB 1.495 31.098 29.700 -0.161 0.000 1.242 670 E HN 0.414 nan 8.360 nan 0.000 0.414 671 A N 4.622 127.311 122.820 -0.218 0.000 2.299 671 A HA 0.762 5.080 4.320 -0.004 0.000 0.332 671 A C -2.552 174.704 177.584 -0.547 0.000 1.131 671 A CA -1.620 50.111 52.037 -0.510 0.000 0.844 671 A CB 0.682 19.529 19.000 -0.255 0.000 1.251 671 A HN 0.468 nan 8.150 nan 0.000 0.486 672 P HA 0.254 nan 4.420 nan 0.000 0.268 672 P C -0.981 176.168 177.300 -0.251 0.000 1.205 672 P CA 0.141 62.956 63.100 -0.476 0.000 0.771 672 P CB 0.664 32.021 31.700 -0.571 0.000 0.858 673 D N 0.421 120.750 120.400 -0.119 0.000 2.808 673 D HA 0.155 4.793 4.640 -0.004 0.000 0.249 673 D C 0.718 176.989 176.300 -0.048 0.000 1.151 673 D CA -0.351 53.611 54.000 -0.063 0.000 1.089 673 D CB -0.142 40.644 40.800 -0.023 0.000 1.295 673 D HN 0.133 nan 8.370 nan 0.000 0.631 674 E N -0.086 120.092 120.200 -0.037 0.000 2.072 674 E HA -0.081 4.266 4.350 -0.004 0.000 0.191 674 E C 1.711 178.258 176.600 -0.088 0.000 0.985 674 E CA 1.416 57.783 56.400 -0.053 0.000 0.801 674 E CB -0.107 29.567 29.700 -0.044 0.000 0.750 674 E HN 0.632 nan 8.360 nan 0.000 0.452 675 E N -0.087 120.048 120.200 -0.109 0.000 2.008 675 E HA -0.081 4.267 4.350 -0.004 0.000 0.191 675 E C -0.081 176.285 176.600 -0.390 0.000 0.986 675 E CA 0.465 56.696 56.400 -0.282 0.000 0.807 675 E CB 0.072 29.547 29.700 -0.375 0.000 0.766 675 E HN 0.265 nan 8.360 nan 0.000 0.450 676 Y N 1.884 122.136 120.300 -0.079 0.000 2.714 676 Y HA 0.075 4.623 4.550 -0.003 0.000 0.333 676 Y C 0.256 176.082 175.900 -0.124 0.000 1.220 676 Y CA -0.449 57.596 58.100 -0.091 0.000 1.513 676 Y CB 0.366 38.768 38.460 -0.096 0.000 1.435 676 Y HN 0.178 nan 8.280 nan 0.000 0.489 677 D N 0.287 120.664 120.400 -0.038 0.000 2.347 677 D HA -0.023 4.615 4.640 -0.004 0.000 0.213 677 D C -0.032 176.221 176.300 -0.078 0.000 0.985 677 D CA 0.529 54.488 54.000 -0.068 0.000 0.879 677 D CB 0.234 40.997 40.800 -0.062 0.000 0.919 677 D HN 0.349 nan 8.370 nan 0.000 0.526 678 L N -0.224 120.972 121.223 -0.045 0.000 2.334 678 L HA 0.404 4.742 4.340 -0.004 0.000 0.276 678 L C -0.440 176.421 176.870 -0.015 0.000 1.014 678 L CA -1.278 53.559 54.840 -0.006 0.000 0.815 678 L CB 1.539 43.633 42.059 0.058 0.000 1.268 678 L HN -0.112 nan 8.230 nan 0.000 0.428 679 W N 3.297 124.627 121.300 0.051 0.000 2.251 679 W HA 0.295 4.952 4.660 -0.004 0.000 0.327 679 W C -0.169 176.383 176.519 0.055 0.000 1.361 679 W CA -0.093 57.283 57.345 0.052 0.000 1.234 679 W CB 0.593 30.088 29.460 0.059 0.000 1.212 679 W HN 0.192 nan 8.180 nan 0.000 0.557 680 L N 4.414 125.832 121.223 0.324 0.000 2.305 680 L HA 0.533 4.871 4.340 -0.004 0.000 0.284 680 L C -0.152 176.852 176.870 0.223 0.000 1.013 680 L CA -0.033 54.930 54.840 0.206 0.000 0.819 680 L CB 1.294 43.420 42.059 0.111 0.000 1.227 680 L HN 0.255 nan 8.230 nan 0.000 0.417 681 S N 2.423 118.247 115.700 0.207 0.000 2.621 681 S HA 0.935 5.403 4.470 -0.004 0.000 0.302 681 S C -0.471 174.224 174.600 0.158 0.000 1.093 681 S CA 0.044 58.397 58.200 0.256 0.000 1.017 681 S CB 1.249 64.667 63.200 0.363 0.000 1.077 681 S HN 0.890 nan 8.310 nan 0.000 0.517 682 T N -0.401 114.275 114.554 0.203 0.000 2.841 682 T HA 0.931 5.279 4.350 -0.004 0.000 0.296 682 T C 0.159 175.040 174.700 0.301 0.000 1.166 682 T CA -0.083 62.023 62.100 0.010 0.000 1.007 682 T CB 1.282 70.159 68.868 0.016 0.000 1.253 682 T HN 1.178 nan 8.240 nan 0.000 0.511 683 G N 0.722 109.677 108.800 0.259 0.000 2.512 683 G HA2 0.496 4.454 3.960 -0.004 0.000 0.181 683 G HA3 0.496 4.454 3.960 -0.004 0.000 0.181 683 G C -1.584 173.497 174.900 0.303 0.000 1.173 683 G CA -0.889 44.455 45.100 0.408 0.000 0.988 683 G HN 0.871 nan 8.290 nan 0.000 0.485 684 R N -1.821 118.820 120.500 0.235 0.000 3.029 684 R HA 0.875 5.212 4.340 -0.004 0.000 0.239 684 R C -1.212 175.123 176.300 0.058 0.000 1.351 684 R CA -0.774 55.343 56.100 0.029 0.000 1.052 684 R CB 1.956 32.217 30.300 -0.065 0.000 1.354 684 R HN 0.462 nan 8.270 nan 0.000 0.499 685 V N 1.137 121.007 119.914 -0.073 0.000 2.971 685 V HA 0.111 4.229 4.120 -0.004 0.000 0.309 685 V C 0.960 176.956 176.094 -0.163 0.000 1.130 685 V CA -0.753 61.485 62.300 -0.103 0.000 0.964 685 V CB 2.164 33.834 31.823 -0.255 0.000 1.029 685 V HN 0.678 nan 8.190 nan 0.000 0.427 686 L N 3.010 124.163 121.223 -0.116 0.000 2.054 686 L HA -0.181 4.157 4.340 -0.004 0.000 0.220 686 L C 2.249 178.994 176.870 -0.209 0.000 1.081 686 L CA 2.767 57.526 54.840 -0.136 0.000 0.780 686 L CB -0.062 41.949 42.059 -0.079 0.000 0.893 686 L HN 0.983 nan 8.230 nan 0.000 0.438 687 E N -1.775 118.261 120.200 -0.273 0.000 2.478 687 E HA 0.009 4.356 4.350 -0.004 0.000 0.194 687 E C 0.158 176.292 176.600 -0.778 0.000 1.045 687 E CA 0.210 56.346 56.400 -0.441 0.000 0.868 687 E CB -0.088 29.378 29.700 -0.391 0.000 0.885 687 E HN 0.568 nan 8.360 nan 0.000 0.505 688 H N -0.255 118.553 119.070 -0.436 0.000 2.622 688 H HA 0.232 4.785 4.556 -0.004 0.000 0.363 688 H C -1.087 174.061 175.328 -0.300 0.000 1.151 688 H CA -0.738 55.033 56.048 -0.462 0.000 1.184 688 H CB 1.645 30.905 29.762 -0.836 0.000 1.643 688 H HN 0.166 nan 8.280 nan 0.000 0.531 689 W N 5.027 126.139 121.300 -0.314 0.000 2.329 689 W HA 0.158 4.815 4.660 -0.004 0.000 0.312 689 W C -0.397 176.027 176.519 -0.159 0.000 1.054 689 W CA -0.148 56.986 57.345 -0.352 0.000 1.245 689 W CB 0.198 29.405 29.460 -0.422 0.000 1.255 689 W HN 0.838 nan 8.180 nan 0.000 0.436 690 H N 0.855 119.522 119.070 -0.671 0.000 1.452 690 H HA -0.319 4.235 4.556 -0.004 0.000 0.090 690 H C 1.808 176.821 175.328 -0.525 0.000 0.670 690 H CA 3.348 58.986 56.048 -0.683 0.000 1.901 690 H CB -1.626 27.813 29.762 -0.539 0.000 2.257 690 H HN 0.438 nan 8.280 nan 0.000 0.961 691 T N -0.996 113.609 114.554 0.083 0.000 3.086 691 T HA 0.384 4.732 4.350 -0.004 0.000 0.250 691 T C 1.651 176.397 174.700 0.076 0.000 1.074 691 T CA 1.303 63.460 62.100 0.095 0.000 0.988 691 T CB 0.173 69.146 68.868 0.176 0.000 0.988 691 T HN 1.338 nan 8.240 nan 0.000 0.530 692 G N 1.783 110.643 108.800 0.099 0.000 2.212 692 G HA2 -0.392 3.566 3.960 -0.004 0.000 0.266 692 G HA3 -0.392 3.566 3.960 -0.004 0.000 0.266 692 G C 1.317 176.268 174.900 0.085 0.000 0.978 692 G CA 1.073 46.223 45.100 0.083 0.000 0.632 692 G HN 1.156 nan 8.290 nan 0.000 0.537 693 S N -0.390 115.374 115.700 0.106 0.000 2.407 693 S HA -0.114 4.354 4.470 -0.004 0.000 0.235 693 S C 2.284 176.841 174.600 -0.072 0.000 1.036 693 S CA 2.153 60.380 58.200 0.045 0.000 1.013 693 S CB -0.307 62.980 63.200 0.145 0.000 0.820 693 S HN 0.591 nan 8.310 nan 0.000 0.476 694 M N 1.362 121.011 119.600 0.082 0.000 2.257 694 M HA 0.005 4.483 4.480 -0.004 0.000 0.260 694 M C 2.805 179.137 176.300 0.054 0.000 1.102 694 M CA 1.636 56.973 55.300 0.062 0.000 1.169 694 M CB -0.911 31.835 32.600 0.243 0.000 1.323 694 M HN 0.605 nan 8.290 nan 0.000 0.447 695 T N -1.200 113.429 114.554 0.125 0.000 2.915 695 T HA -0.042 4.306 4.350 -0.004 0.000 0.269 695 T C 1.803 176.591 174.700 0.148 0.000 1.071 695 T CA 0.882 63.043 62.100 0.102 0.000 1.132 695 T CB -0.379 68.532 68.868 0.071 0.000 0.878 695 T HN 0.304 nan 8.240 nan 0.000 0.479 696 R N 0.543 121.123 120.500 0.134 0.000 2.236 696 R HA 0.233 4.570 4.340 -0.004 0.000 0.208 696 R C 2.272 178.598 176.300 0.043 0.000 1.036 696 R CA 0.432 56.623 56.100 0.151 0.000 1.001 696 R CB -0.048 30.307 30.300 0.092 0.000 0.896 696 R HN 0.330 nan 8.270 nan 0.000 0.464 697 R N 0.258 120.723 120.500 -0.059 0.000 2.335 697 R HA 0.105 4.443 4.340 -0.004 0.000 0.223 697 R C -0.459 175.800 176.300 -0.069 0.000 0.940 697 R CA 0.083 56.106 56.100 -0.128 0.000 1.086 697 R CB 0.705 30.808 30.300 -0.329 0.000 1.073 697 R HN -0.077 nan 8.270 nan 0.000 0.504 698 V N 2.062 121.950 119.914 -0.044 0.000 2.311 698 V HA 0.158 4.275 4.120 -0.004 0.000 0.275 698 V C -1.630 174.392 176.094 -0.119 0.000 1.022 698 V CA -1.753 60.488 62.300 -0.098 0.000 0.830 698 V CB 1.578 33.313 31.823 -0.147 0.000 1.012 698 V HN -0.022 nan 8.190 nan 0.000 0.452 699 P HA -0.244 nan 4.420 nan 0.000 0.220 699 P C 1.335 178.599 177.300 -0.061 0.000 1.155 699 P CA 1.604 64.657 63.100 -0.078 0.000 0.880 699 P CB 0.299 31.954 31.700 -0.075 0.000 0.790 700 E N -1.250 118.824 120.200 -0.210 0.000 2.340 700 E HA 0.035 4.383 4.350 -0.004 0.000 0.194 700 E C 2.021 178.517 176.600 -0.174 0.000 0.996 700 E CA 0.375 56.657 56.400 -0.196 0.000 0.869 700 E CB -0.840 28.687 29.700 -0.289 0.000 0.835 700 E HN 0.280 nan 8.360 nan 0.000 0.493 701 L N 0.604 121.683 121.223 -0.240 0.000 2.044 701 L HA -0.085 4.252 4.340 -0.004 0.000 0.205 701 L C 2.780 179.625 176.870 -0.042 0.000 1.075 701 L CA 1.429 56.150 54.840 -0.199 0.000 0.747 701 L CB -0.618 41.288 42.059 -0.256 0.000 0.903 701 L HN 0.191 nan 8.230 nan 0.000 0.435 702 H N 0.094 119.174 119.070 0.016 0.000 2.387 702 H HA -0.170 4.384 4.556 -0.004 0.000 0.299 702 H C 2.315 177.695 175.328 0.087 0.000 1.099 702 H CA 1.536 57.652 56.048 0.114 0.000 1.315 702 H CB 0.162 29.957 29.762 0.055 0.000 1.380 702 H HN -0.012 nan 8.280 nan 0.000 0.513 703 R N -0.237 120.336 120.500 0.122 0.000 2.313 703 R HA 0.092 4.430 4.340 -0.004 0.000 0.199 703 R C 1.452 177.756 176.300 0.007 0.000 0.958 703 R CA 0.679 56.823 56.100 0.073 0.000 1.047 703 R CB 0.102 30.444 30.300 0.070 0.000 0.955 703 R HN 0.459 nan 8.270 nan 0.000 0.481 704 A N -0.690 122.130 122.820 -0.000 0.000 2.140 704 A HA 0.103 4.421 4.320 -0.004 0.000 0.209 704 A C 0.202 177.790 177.584 0.006 0.000 1.181 704 A CA 0.264 52.294 52.037 -0.012 0.000 0.824 704 A CB 0.525 19.514 19.000 -0.017 0.000 0.879 704 A HN 0.209 nan 8.150 nan 0.000 0.480 705 F N 0.075 119.976 119.950 -0.080 0.000 3.020 705 F HA 0.333 4.859 4.527 -0.002 0.000 0.389 705 F C -2.412 173.366 175.800 -0.037 0.000 1.265 705 F CA -2.268 55.716 58.000 -0.027 0.000 1.195 705 F CB 1.715 40.678 39.000 -0.061 0.000 2.250 705 F HN -0.040 nan 8.300 nan 0.000 0.627 706 P HA -0.060 nan 4.420 nan 0.000 0.221 706 P C -0.393 176.892 177.300 -0.025 0.000 1.150 706 P CA 1.284 64.168 63.100 -0.360 0.000 0.800 706 P CB 0.830 32.372 31.700 -0.262 0.000 0.787 707 E N -1.391 118.970 120.200 0.269 0.000 2.383 707 E HA 0.566 4.914 4.350 -0.004 0.000 0.275 707 E C -1.024 175.786 176.600 0.350 0.000 0.918 707 E CA -1.136 55.394 56.400 0.216 0.000 0.764 707 E CB 2.279 32.026 29.700 0.079 0.000 1.252 707 E HN -0.135 nan 8.360 nan 0.000 0.449 708 A N 1.525 124.277 122.820 -0.114 0.000 2.488 708 A HA 0.399 4.716 4.320 -0.004 0.000 0.249 708 A C 0.341 177.927 177.584 0.004 0.000 1.083 708 A CA -0.303 51.608 52.037 -0.209 0.000 0.768 708 A CB -0.103 18.576 19.000 -0.535 0.000 1.017 708 A HN 0.377 nan 8.150 nan 0.000 0.496 709 V N 1.152 121.125 119.914 0.098 0.000 3.267 709 V HA 0.801 4.919 4.120 -0.004 0.000 0.317 709 V C -0.094 175.923 176.094 -0.129 0.000 1.131 709 V CA -1.005 61.245 62.300 -0.085 0.000 1.031 709 V CB 1.492 33.167 31.823 -0.247 0.000 1.159 709 V HN 1.013 nan 8.190 nan 0.000 0.454 710 L N 1.196 122.314 121.223 -0.175 0.000 2.294 710 L HA 0.625 4.963 4.340 -0.004 0.000 0.283 710 L C -1.170 175.638 176.870 -0.103 0.000 1.015 710 L CA -0.305 54.488 54.840 -0.077 0.000 0.831 710 L CB 0.730 42.762 42.059 -0.046 0.000 1.217 710 L HN 0.632 nan 8.230 nan 0.000 0.420 711 F N 6.410 126.400 119.950 0.067 0.000 2.445 711 F HA 0.463 4.989 4.527 -0.003 0.000 0.359 711 F C 0.296 176.137 175.800 0.069 0.000 1.101 711 F CA 0.002 58.056 58.000 0.089 0.000 1.177 711 F CB 0.943 40.030 39.000 0.146 0.000 1.110 711 F HN 0.395 nan 8.300 nan 0.000 0.522 712 I N 2.648 123.331 120.570 0.189 0.000 2.802 712 I HA 0.287 4.455 4.170 -0.004 0.000 0.298 712 I C -0.874 175.331 176.117 0.146 0.000 1.176 712 I CA -0.914 60.475 61.300 0.149 0.000 1.025 712 I CB 1.810 39.865 38.000 0.091 0.000 1.243 712 I HN 0.570 nan 8.210 nan 0.000 0.424 713 H N 8.036 127.150 119.070 0.074 0.000 2.803 713 H HA 0.234 4.788 4.556 -0.004 0.000 0.330 713 H C -1.859 173.492 175.328 0.039 0.000 1.057 713 H CA -0.492 55.590 56.048 0.055 0.000 1.458 713 H CB 1.180 30.972 29.762 0.049 0.000 1.470 713 H HN 0.302 nan 8.280 nan 0.000 0.560 714 P HA -0.304 nan 4.420 nan 0.000 0.222 714 P C 1.296 178.670 177.300 0.123 0.000 1.159 714 P CA 1.714 64.797 63.100 -0.028 0.000 0.920 714 P CB 0.146 31.766 31.700 -0.134 0.000 0.793 715 L N -1.690 119.725 121.223 0.320 0.000 2.240 715 L HA -0.083 4.255 4.340 -0.004 0.000 0.211 715 L C 1.964 178.908 176.870 0.124 0.000 1.106 715 L CA 1.170 56.126 54.840 0.193 0.000 0.793 715 L CB -0.917 41.249 42.059 0.179 0.000 0.927 715 L HN -0.067 nan 8.230 nan 0.000 0.446 716 D N 0.650 121.140 120.400 0.150 0.000 2.144 716 D HA -0.101 4.537 4.640 -0.004 0.000 0.200 716 D C 2.232 178.569 176.300 0.062 0.000 0.978 716 D CA 1.339 55.391 54.000 0.086 0.000 0.833 716 D CB 0.145 41.006 40.800 0.102 0.000 0.961 716 D HN 0.260 nan 8.370 nan 0.000 0.470 717 A N 0.587 123.447 122.820 0.067 0.000 1.872 717 A HA -0.138 4.180 4.320 -0.004 0.000 0.214 717 A C 2.058 179.657 177.584 0.026 0.000 1.187 717 A CA 1.732 53.791 52.037 0.036 0.000 0.614 717 A CB -0.445 18.571 19.000 0.025 0.000 0.826 717 A HN 0.114 nan 8.150 nan 0.000 0.442 718 K N 0.363 120.784 120.400 0.036 0.000 2.034 718 K HA -0.139 4.179 4.320 -0.004 0.000 0.214 718 K C 1.735 178.346 176.600 0.019 0.000 1.051 718 K CA 1.922 58.225 56.287 0.026 0.000 0.931 718 K CB -0.538 31.983 32.500 0.036 0.000 0.715 718 K HN 0.343 nan 8.250 nan 0.000 0.446 719 A N -0.114 122.720 122.820 0.023 0.000 2.248 719 A HA -0.008 4.310 4.320 -0.004 0.000 0.210 719 A C 1.645 179.232 177.584 0.004 0.000 1.174 719 A CA 1.070 53.114 52.037 0.012 0.000 0.750 719 A CB -0.290 18.718 19.000 0.012 0.000 0.780 719 A HN 0.366 nan 8.150 nan 0.000 0.478 720 R N -1.593 118.910 120.500 0.004 0.000 2.531 720 R HA 0.098 4.436 4.340 -0.004 0.000 0.316 720 R C -0.505 175.791 176.300 -0.006 0.000 0.955 720 R CA 0.166 56.264 56.100 -0.003 0.000 1.120 720 R CB 0.563 30.862 30.300 -0.001 0.000 1.361 720 R HN 0.380 nan 8.270 nan 0.000 0.534 721 D N 1.009 121.407 120.400 -0.003 0.000 2.809 721 D HA -0.162 4.475 4.640 -0.004 0.000 0.234 721 D C -1.205 175.090 176.300 -0.008 0.000 1.111 721 D CA 0.771 54.767 54.000 -0.006 0.000 0.726 721 D CB -0.649 40.145 40.800 -0.009 0.000 1.089 721 D HN 0.185 nan 8.370 nan 0.000 0.436 722 L N 0.986 122.206 121.223 -0.005 0.000 2.362 722 L HA 0.538 4.876 4.340 -0.004 0.000 0.275 722 L C 0.445 177.309 176.870 -0.010 0.000 0.998 722 L CA -0.718 54.117 54.840 -0.009 0.000 0.820 722 L CB 1.954 44.009 42.059 -0.006 0.000 1.270 722 L HN -0.137 nan 8.230 nan 0.000 0.415 723 R N 2.083 122.573 120.500 -0.016 0.000 2.562 723 R HA 0.437 4.774 4.340 -0.004 0.000 0.298 723 R C -0.516 175.767 176.300 -0.029 0.000 0.961 723 R CA -1.124 54.965 56.100 -0.019 0.000 0.881 723 R CB 2.177 32.466 30.300 -0.018 0.000 1.159 723 R HN 0.506 nan 8.270 nan 0.000 0.450 724 R N 0.930 121.410 120.500 -0.033 0.000 2.669 724 R HA -0.216 4.121 4.340 -0.004 0.000 0.283 724 R C 0.689 176.960 176.300 -0.048 0.000 0.851 724 R CA 2.059 58.131 56.100 -0.047 0.000 1.126 724 R CB -0.340 29.933 30.300 -0.045 0.000 0.883 724 R HN 0.986 nan 8.270 nan 0.000 0.418 725 G N 2.766 111.531 108.800 -0.060 0.000 2.234 725 G HA2 -0.242 3.716 3.960 -0.004 0.000 0.235 725 G HA3 -0.242 3.716 3.960 -0.004 0.000 0.235 725 G C -0.391 174.481 174.900 -0.045 0.000 0.997 725 G CA 0.110 45.178 45.100 -0.054 0.000 0.623 725 G HN 0.693 nan 8.290 nan 0.000 0.514 726 D N 1.293 121.669 120.400 -0.041 0.000 2.414 726 D HA 0.356 4.994 4.640 -0.004 0.000 0.242 726 D C 0.741 177.019 176.300 -0.037 0.000 1.129 726 D CA 0.222 54.202 54.000 -0.034 0.000 0.885 726 D CB 0.791 41.574 40.800 -0.028 0.000 1.198 726 D HN 0.320 nan 8.370 nan 0.000 0.437 727 K N 0.815 121.197 120.400 -0.031 0.000 2.401 727 K HA 0.290 4.608 4.320 -0.004 0.000 0.278 727 K C -0.775 175.807 176.600 -0.029 0.000 1.018 727 K CA -0.149 56.119 56.287 -0.031 0.000 0.981 727 K CB 0.778 33.263 32.500 -0.025 0.000 0.933 727 K HN 0.170 nan 8.250 nan 0.000 0.477 728 V N 4.078 123.973 119.914 -0.032 0.000 2.808 728 V HA 0.326 4.444 4.120 -0.004 0.000 0.308 728 V C -1.552 174.526 176.094 -0.027 0.000 1.099 728 V CA -0.892 61.392 62.300 -0.028 0.000 0.920 728 V CB 1.899 33.705 31.823 -0.028 0.000 1.014 728 V HN 0.770 nan 8.190 nan 0.000 0.425 729 K N 5.256 125.643 120.400 -0.022 0.000 2.263 729 K HA 0.702 5.020 4.320 -0.004 0.000 0.272 729 K C -1.241 175.352 176.600 -0.012 0.000 1.033 729 K CA -0.447 55.828 56.287 -0.019 0.000 0.884 729 K CB 1.515 34.004 32.500 -0.017 0.000 1.107 729 K HN 0.599 nan 8.250 nan 0.000 0.460 730 V N 4.945 124.853 119.914 -0.011 0.000 2.407 730 V HA 0.395 4.513 4.120 -0.004 0.000 0.278 730 V C -0.518 175.586 176.094 0.017 0.000 1.037 730 V CA -0.837 61.464 62.300 0.003 0.000 0.900 730 V CB 1.345 33.164 31.823 -0.006 0.000 0.983 730 V HN 0.514 nan 8.190 nan 0.000 0.459 731 V N 4.069 124.014 119.914 0.052 0.000 2.577 731 V HA 0.644 4.762 4.120 -0.004 0.000 0.303 731 V C 0.069 176.277 176.094 0.189 0.000 1.042 731 V CA -0.307 62.049 62.300 0.094 0.000 0.872 731 V CB 1.973 33.851 31.823 0.092 0.000 0.998 731 V HN 1.014 nan 8.190 nan 0.000 0.423 732 S N 4.491 120.250 115.700 0.099 0.000 2.766 732 S HA 0.539 5.007 4.470 -0.004 0.000 0.307 732 S C 0.674 175.181 174.600 -0.155 0.000 1.121 732 S CA -0.868 57.292 58.200 -0.067 0.000 0.980 732 S CB 1.720 64.838 63.200 -0.136 0.000 1.159 732 S HN 0.580 nan 8.310 nan 0.000 0.546 733 R N -0.207 119.997 120.500 -0.494 0.000 2.341 733 R HA 0.116 4.454 4.340 -0.004 0.000 0.213 733 R C 1.701 177.927 176.300 -0.124 0.000 1.082 733 R CA 0.893 56.817 56.100 -0.293 0.000 1.017 733 R CB -0.200 29.879 30.300 -0.367 0.000 0.860 733 R HN 0.565 nan 8.270 nan 0.000 0.473 734 R N -1.092 119.339 120.500 -0.115 0.000 2.344 734 R HA 0.200 4.537 4.340 -0.004 0.000 0.209 734 R C 0.506 176.774 176.300 -0.054 0.000 0.886 734 R CA 0.373 56.424 56.100 -0.080 0.000 1.040 734 R CB 1.569 31.812 30.300 -0.096 0.000 1.114 734 R HN 0.216 nan 8.270 nan 0.000 0.547 735 G N 0.571 109.347 108.800 -0.040 0.000 2.323 735 G HA2 0.129 4.087 3.960 -0.004 0.000 0.291 735 G HA3 0.129 4.087 3.960 -0.004 0.000 0.291 735 G C -1.902 172.991 174.900 -0.012 0.000 1.278 735 G CA -0.768 44.316 45.100 -0.026 0.000 0.860 735 G HN 0.099 nan 8.290 nan 0.000 0.504 736 E N -1.915 118.276 120.200 -0.016 0.000 2.390 736 E HA 0.679 5.027 4.350 -0.004 0.000 0.277 736 E C -1.091 175.494 176.600 -0.025 0.000 0.939 736 E CA -1.036 55.358 56.400 -0.011 0.000 0.769 736 E CB 2.465 32.164 29.700 -0.002 0.000 1.251 736 E HN 1.617 nan 8.360 nan 0.000 0.450 737 V N -0.791 119.107 119.914 -0.027 0.000 3.078 737 V HA 0.674 4.792 4.120 -0.004 0.000 0.311 737 V C -0.893 175.179 176.094 -0.037 0.000 1.138 737 V CA -1.023 61.254 62.300 -0.039 0.000 1.007 737 V CB 1.662 33.452 31.823 -0.056 0.000 1.045 737 V HN 0.806 nan 8.190 nan 0.000 0.432 738 I N 3.038 123.584 120.570 -0.041 0.000 2.339 738 I HA 0.652 4.819 4.170 -0.004 0.000 0.290 738 I C 0.392 176.479 176.117 -0.050 0.000 0.994 738 I CA 0.276 61.553 61.300 -0.038 0.000 1.191 738 I CB 1.578 39.559 38.000 -0.031 0.000 1.343 738 I HN 0.937 nan 8.210 nan 0.000 0.458 739 S N 5.940 121.609 115.700 -0.051 0.000 2.874 739 S HA 0.755 5.223 4.470 -0.004 0.000 0.318 739 S C -0.848 173.718 174.600 -0.057 0.000 1.109 739 S CA -0.475 57.688 58.200 -0.062 0.000 0.878 739 S CB 1.283 64.440 63.200 -0.072 0.000 1.307 739 S HN 0.331 nan 8.310 nan 0.000 0.592 740 I N 1.583 122.112 120.570 -0.069 0.000 2.465 740 I HA 0.401 4.569 4.170 -0.004 0.000 0.291 740 I C -0.640 175.418 176.117 -0.099 0.000 1.014 740 I CA -0.566 60.690 61.300 -0.073 0.000 1.093 740 I CB 1.890 39.848 38.000 -0.070 0.000 1.267 740 I HN 0.348 nan 8.210 nan 0.000 0.431 741 V N 4.863 124.727 119.914 -0.083 0.000 2.540 741 V HA 0.120 4.238 4.120 -0.004 0.000 0.297 741 V C 0.149 176.165 176.094 -0.130 0.000 1.024 741 V CA 0.118 62.365 62.300 -0.087 0.000 1.105 741 V CB 0.630 32.420 31.823 -0.054 0.000 0.938 741 V HN 0.718 nan 8.190 nan 0.000 0.482 742 E N 3.384 123.481 120.200 -0.172 0.000 2.235 742 E HA 0.330 4.678 4.350 -0.004 0.000 0.252 742 E C 0.570 177.112 176.600 -0.096 0.000 0.886 742 E CA -0.100 56.169 56.400 -0.217 0.000 0.767 742 E CB 1.479 30.865 29.700 -0.523 0.000 1.205 742 E HN 0.738 nan 8.360 nan 0.000 0.421 743 T N 1.351 115.875 114.554 -0.051 0.000 3.060 743 T HA 0.214 4.562 4.350 -0.004 0.000 0.249 743 T C 1.142 175.841 174.700 -0.002 0.000 1.079 743 T CA -0.087 62.004 62.100 -0.016 0.000 1.013 743 T CB 0.098 68.948 68.868 -0.030 0.000 0.975 743 T HN 0.328 nan 8.240 nan 0.000 0.518 744 R N 0.391 120.896 120.500 0.008 0.000 2.615 744 R HA 0.399 4.737 4.340 -0.004 0.000 0.448 744 R C 0.778 177.122 176.300 0.073 0.000 1.009 744 R CA -0.289 55.825 56.100 0.023 0.000 1.111 744 R CB 0.347 30.642 30.300 -0.008 0.000 1.461 744 R HN 0.431 nan 8.270 nan 0.000 0.587 745 G N 0.116 109.024 108.800 0.181 0.000 2.508 745 G HA2 0.012 3.970 3.960 -0.004 0.000 0.278 745 G HA3 0.012 3.970 3.960 -0.004 0.000 0.278 745 G C 0.716 175.809 174.900 0.322 0.000 1.389 745 G CA -0.541 44.774 45.100 0.359 0.000 1.050 745 G HN 0.352 nan 8.290 nan 0.000 0.522 746 R N -1.071 119.625 120.500 0.326 0.000 2.148 746 R HA 0.038 4.376 4.340 -0.004 0.000 0.223 746 R C -0.211 176.094 176.300 0.009 0.000 1.088 746 R CA 0.644 56.815 56.100 0.119 0.000 0.985 746 R CB -0.231 30.129 30.300 0.100 0.000 0.880 746 R HN 0.244 nan 8.270 nan 0.000 0.451 747 N N 1.713 120.317 118.700 -0.159 0.000 2.425 747 N HA 0.173 4.911 4.740 -0.004 0.000 0.268 747 N C -0.951 174.579 175.510 0.034 0.000 0.991 747 N CA -0.383 52.551 53.050 -0.193 0.000 0.931 747 N CB 1.506 39.565 38.487 -0.713 0.000 1.130 747 N HN 0.081 nan 8.380 nan 0.000 0.493 748 R N 2.608 123.132 120.500 0.039 0.000 2.335 748 R HA 0.362 4.699 4.340 -0.004 0.000 0.302 748 R C -2.424 173.916 176.300 0.067 0.000 1.147 748 R CA -1.597 54.532 56.100 0.049 0.000 1.111 748 R CB 1.197 31.484 30.300 -0.022 0.000 1.122 748 R HN 0.413 nan 8.270 nan 0.000 0.557 749 P HA 0.193 nan 4.420 nan 0.000 0.275 749 P C -2.415 175.003 177.300 0.198 0.000 1.228 749 P CA -1.405 61.783 63.100 0.147 0.000 0.786 749 P CB 0.345 32.134 31.700 0.148 0.000 0.927 750 P HA 0.064 nan 4.420 nan 0.000 0.272 750 P C -0.107 177.211 177.300 0.029 0.000 1.240 750 P CA -0.032 63.125 63.100 0.096 0.000 0.791 750 P CB 0.496 32.209 31.700 0.022 0.000 0.978 751 Q N -0.195 119.466 119.800 -0.233 0.000 2.349 751 Q HA 0.281 4.619 4.340 -0.004 0.000 0.287 751 Q C 1.210 177.206 176.000 -0.007 0.000 1.044 751 Q CA 1.036 56.709 55.803 -0.217 0.000 0.918 751 Q CB -0.242 28.288 28.738 -0.348 0.000 1.242 751 Q HN 0.899 nan 8.270 nan 0.000 0.405 752 G N 1.829 110.662 108.800 0.055 0.000 2.194 752 G HA2 -0.260 3.698 3.960 -0.004 0.000 0.236 752 G HA3 -0.260 3.698 3.960 -0.004 0.000 0.236 752 G C -0.332 174.709 174.900 0.236 0.000 0.987 752 G CA -0.041 45.133 45.100 0.124 0.000 0.635 752 G HN 0.498 nan 8.290 nan 0.000 0.520 753 L N 1.007 122.362 121.223 0.219 0.000 2.376 753 L HA 0.847 5.185 4.340 -0.004 0.000 0.275 753 L C -0.447 176.542 176.870 0.199 0.000 0.987 753 L CA -1.049 53.949 54.840 0.264 0.000 0.828 753 L CB 2.032 44.217 42.059 0.211 0.000 1.249 753 L HN 0.051 nan 8.230 nan 0.000 0.409 754 V N 5.017 125.051 119.914 0.200 0.000 2.667 754 V HA 0.516 4.634 4.120 -0.004 0.000 0.308 754 V C -1.455 174.737 176.094 0.164 0.000 1.048 754 V CA -0.375 62.023 62.300 0.163 0.000 0.928 754 V CB 2.025 33.922 31.823 0.123 0.000 1.004 754 V HN 0.692 nan 8.190 nan 0.000 0.444 755 Y N 5.958 126.260 120.300 0.004 0.000 2.425 755 Y HA 0.764 5.311 4.550 -0.004 0.000 0.344 755 Y C -0.623 175.313 175.900 0.060 0.000 0.969 755 Y CA -0.956 57.087 58.100 -0.094 0.000 1.052 755 Y CB 1.997 40.145 38.460 -0.520 0.000 1.215 755 Y HN 0.666 nan 8.280 nan 0.000 0.451 756 M N 9.548 128.593 119.600 -0.924 0.000 2.271 756 M HA 0.492 4.970 4.480 -0.004 0.000 0.285 756 M C -3.004 172.923 176.300 -0.622 0.000 1.059 756 M CA -1.894 53.069 55.300 -0.561 0.000 0.940 756 M CB 2.791 35.247 32.600 -0.240 0.000 1.636 756 M HN 0.437 nan 8.290 nan 0.000 0.460 757 P HA 0.286 nan 4.420 nan 0.000 0.284 757 P C -0.544 176.628 177.300 -0.213 0.000 1.258 757 P CA -0.306 62.678 63.100 -0.192 0.000 0.824 757 P CB 0.422 32.115 31.700 -0.012 0.000 1.038 758 F N -0.278 119.537 119.950 -0.226 0.000 2.664 758 F HA 0.272 4.797 4.527 -0.004 0.000 0.303 758 F C 1.404 177.049 175.800 -0.260 0.000 1.092 758 F CA -0.727 57.116 58.000 -0.262 0.000 1.305 758 F CB -1.068 37.806 39.000 -0.210 0.000 1.054 758 F HN 0.045 nan 8.300 nan 0.000 0.565 759 F N -0.026 119.629 119.950 -0.491 0.000 2.546 759 F HA 0.082 4.606 4.527 -0.004 0.000 0.298 759 F C 0.373 175.996 175.800 -0.296 0.000 1.120 759 F CA -0.219 57.512 58.000 -0.449 0.000 1.456 759 F CB -0.643 38.038 39.000 -0.532 0.000 1.088 759 F HN 0.022 nan 8.300 nan 0.000 0.572 760 D N 1.164 121.142 120.400 -0.702 0.000 2.373 760 D HA 0.400 5.037 4.640 -0.004 0.000 0.227 760 D C 1.006 177.174 176.300 -0.220 0.000 1.091 760 D CA -0.179 53.540 54.000 -0.469 0.000 0.840 760 D CB 1.724 42.059 40.800 -0.774 0.000 1.060 760 D HN 0.140 nan 8.370 nan 0.000 0.502 761 A N 3.461 126.223 122.820 -0.096 0.000 2.121 761 A HA 0.116 4.434 4.320 -0.004 0.000 0.218 761 A C 1.862 179.415 177.584 -0.051 0.000 1.154 761 A CA 1.389 53.396 52.037 -0.051 0.000 0.679 761 A CB -0.203 18.791 19.000 -0.009 0.000 0.795 761 A HN 0.601 nan 8.150 nan 0.000 0.458 762 A N -1.306 121.477 122.820 -0.061 0.000 2.081 762 A HA 0.129 4.446 4.320 -0.004 0.000 0.214 762 A C 1.187 178.728 177.584 -0.072 0.000 1.158 762 A CA 0.334 52.340 52.037 -0.051 0.000 0.724 762 A CB 0.018 18.998 19.000 -0.033 0.000 0.826 762 A HN 0.533 nan 8.150 nan 0.000 0.463 763 Q N 0.340 120.071 119.800 -0.115 0.000 2.644 763 Q HA 0.413 4.751 4.340 -0.004 0.000 0.245 763 Q C -1.330 174.592 176.000 -0.129 0.000 1.064 763 Q CA -0.200 55.528 55.803 -0.126 0.000 0.860 763 Q CB 0.975 29.612 28.738 -0.168 0.000 1.145 763 Q HN 0.430 nan 8.270 nan 0.000 0.515 764 L N 2.830 123.998 121.223 -0.091 0.000 2.415 764 L HA 0.021 4.359 4.340 -0.004 0.000 0.269 764 L C 1.679 178.504 176.870 -0.075 0.000 1.244 764 L CA -0.238 54.554 54.840 -0.079 0.000 1.113 764 L CB -0.069 41.948 42.059 -0.069 0.000 1.352 764 L HN 0.495 nan 8.230 nan 0.000 0.433 765 V N -0.370 119.498 119.914 -0.076 0.000 2.568 765 V HA -0.221 3.897 4.120 -0.004 0.000 0.253 765 V C 1.714 177.773 176.094 -0.059 0.000 1.072 765 V CA 1.683 63.943 62.300 -0.068 0.000 1.084 765 V CB -0.419 31.362 31.823 -0.071 0.000 0.676 765 V HN 0.761 nan 8.190 nan 0.000 0.469 766 N N 0.712 119.371 118.700 -0.069 0.000 2.571 766 N HA 0.011 4.749 4.740 -0.004 0.000 0.189 766 N C 1.479 176.941 175.510 -0.081 0.000 1.154 766 N CA 0.740 53.746 53.050 -0.073 0.000 0.907 766 N CB -0.156 38.271 38.487 -0.099 0.000 0.977 766 N HN 0.654 nan 8.380 nan 0.000 0.449 767 K N 0.083 120.438 120.400 -0.074 0.000 2.288 767 K HA 0.075 4.393 4.320 -0.004 0.000 0.201 767 K C 1.601 178.162 176.600 -0.066 0.000 1.048 767 K CA 0.556 56.800 56.287 -0.071 0.000 0.956 767 K CB 0.223 32.687 32.500 -0.062 0.000 0.746 767 K HN 0.172 nan 8.250 nan 0.000 0.461 768 L N 0.547 121.734 121.223 -0.061 0.000 2.202 768 L HA -0.000 4.337 4.340 -0.004 0.000 0.205 768 L C 1.393 178.218 176.870 -0.074 0.000 1.083 768 L CA 0.252 55.057 54.840 -0.059 0.000 0.790 768 L CB -0.906 41.128 42.059 -0.041 0.000 0.942 768 L HN 0.105 nan 8.230 nan 0.000 0.452 769 T N -0.227 114.286 114.554 -0.068 0.000 2.903 769 T HA 0.248 4.596 4.350 -0.004 0.000 0.314 769 T C -0.355 174.266 174.700 -0.132 0.000 1.078 769 T CA -0.512 61.538 62.100 -0.083 0.000 1.114 769 T CB 1.176 70.011 68.868 -0.055 0.000 0.987 769 T HN -0.015 nan 8.240 nan 0.000 0.548 770 L N 3.157 124.287 121.223 -0.155 0.000 2.257 770 L HA 0.310 4.648 4.340 -0.004 0.000 0.290 770 L C 0.613 177.347 176.870 -0.228 0.000 1.044 770 L CA -0.434 54.301 54.840 -0.174 0.000 0.810 770 L CB 0.745 42.705 42.059 -0.166 0.000 1.193 770 L HN 0.811 nan 8.230 nan 0.000 0.425 771 D N 3.873 124.149 120.400 -0.206 0.000 2.813 771 D HA 0.014 4.652 4.640 -0.004 0.000 0.248 771 D C 0.186 176.385 176.300 -0.169 0.000 1.254 771 D CA 0.064 53.939 54.000 -0.208 0.000 0.921 771 D CB -0.264 40.453 40.800 -0.138 0.000 1.118 771 D HN 0.502 nan 8.370 nan 0.000 0.450 772 A N 0.643 123.352 122.820 -0.185 0.000 2.363 772 A HA 0.554 4.872 4.320 -0.004 0.000 0.270 772 A C 0.702 178.223 177.584 -0.105 0.000 1.121 772 A CA -0.367 51.593 52.037 -0.129 0.000 0.800 772 A CB 0.574 19.497 19.000 -0.128 0.000 1.052 772 A HN 0.412 nan 8.150 nan 0.000 0.493 773 T N -0.630 113.888 114.554 -0.061 0.000 2.926 773 T HA 0.462 4.810 4.350 -0.004 0.000 0.289 773 T C -0.417 174.237 174.700 -0.078 0.000 1.054 773 T CA -0.749 61.311 62.100 -0.066 0.000 1.015 773 T CB 1.290 70.121 68.868 -0.061 0.000 1.167 773 T HN 0.590 nan 8.240 nan 0.000 0.526 774 D N 1.388 121.735 120.400 -0.089 0.000 2.450 774 D HA 0.129 4.766 4.640 -0.004 0.000 0.247 774 D C -1.563 174.618 176.300 -0.200 0.000 1.162 774 D CA -1.566 52.335 54.000 -0.165 0.000 0.879 774 D CB 1.429 42.151 40.800 -0.130 0.000 1.163 774 D HN 0.206 nan 8.370 nan 0.000 0.472 775 P HA -0.005 nan 4.420 nan 0.000 0.230 775 P C 1.267 178.446 177.300 -0.201 0.000 1.158 775 P CA 0.633 63.599 63.100 -0.224 0.000 0.769 775 P CB 0.289 31.837 31.700 -0.254 0.000 0.807 776 L N -1.058 120.039 121.223 -0.210 0.000 2.221 776 L HA 0.031 4.369 4.340 -0.004 0.000 0.202 776 L C 2.175 178.946 176.870 -0.165 0.000 1.074 776 L CA 1.655 56.395 54.840 -0.167 0.000 0.795 776 L CB -0.950 41.019 42.059 -0.149 0.000 0.960 776 L HN 0.060 nan 8.230 nan 0.000 0.458 777 S N -2.093 113.518 115.700 -0.149 0.000 2.503 777 S HA 0.037 4.505 4.470 -0.004 0.000 0.215 777 S C 0.824 175.344 174.600 -0.132 0.000 1.003 777 S CA -0.252 57.883 58.200 -0.108 0.000 0.910 777 S CB 0.243 63.424 63.200 -0.033 0.000 0.790 777 S HN 0.194 nan 8.310 nan 0.000 0.514 778 K N 0.832 121.114 120.400 -0.197 0.000 3.209 778 K HA -0.190 4.128 4.320 -0.004 0.000 0.289 778 K C -0.245 176.324 176.600 -0.052 0.000 1.191 778 K CA 1.119 57.255 56.287 -0.253 0.000 0.851 778 K CB -2.337 29.749 32.500 -0.690 0.000 1.242 778 K HN 0.867 nan 8.250 nan 0.000 0.480 779 E N 0.840 121.048 120.200 0.013 0.000 2.229 779 E HA 0.178 4.526 4.350 -0.004 0.000 0.283 779 E C -0.640 176.003 176.600 0.071 0.000 1.030 779 E CA -0.233 56.240 56.400 0.121 0.000 0.836 779 E CB 0.736 30.535 29.700 0.166 0.000 1.068 779 E HN 0.091 nan 8.360 nan 0.000 0.401 780 T N 4.054 118.644 114.554 0.061 0.000 2.870 780 T HA -0.032 4.315 4.350 -0.004 0.000 0.300 780 T C -0.172 174.363 174.700 -0.276 0.000 0.989 780 T CA -0.193 61.747 62.100 -0.266 0.000 1.139 780 T CB 0.506 68.944 68.868 -0.718 0.000 0.920 780 T HN 0.406 nan 8.240 nan 0.000 0.537 781 D N 2.697 122.955 120.400 -0.236 0.000 2.470 781 D HA 0.103 4.741 4.640 -0.004 0.000 0.226 781 D C 0.277 176.484 176.300 -0.156 0.000 1.196 781 D CA -0.467 53.481 54.000 -0.087 0.000 0.979 781 D CB -0.222 40.546 40.800 -0.053 0.000 1.059 781 D HN 0.445 nan 8.370 nan 0.000 0.515 782 F N 1.529 121.484 119.950 0.009 0.000 2.558 782 F HA 0.014 4.538 4.527 -0.004 0.000 0.298 782 F C 2.163 177.984 175.800 0.035 0.000 1.119 782 F CA 0.269 58.255 58.000 -0.023 0.000 1.451 782 F CB 0.261 39.214 39.000 -0.079 0.000 1.091 782 F HN 0.122 nan 8.300 nan 0.000 0.563 783 K N 0.492 121.037 120.400 0.242 0.000 2.459 783 K HA 0.080 4.398 4.320 -0.004 0.000 0.193 783 K C 0.076 176.782 176.600 0.178 0.000 1.030 783 K CA 0.450 56.873 56.287 0.227 0.000 1.026 783 K CB -0.002 32.640 32.500 0.237 0.000 0.809 783 K HN 0.160 nan 8.250 nan 0.000 0.504 784 K N 0.597 121.090 120.400 0.154 0.000 2.740 784 K HA 0.167 4.485 4.320 -0.004 0.000 0.246 784 K C -1.276 175.459 176.600 0.224 0.000 1.021 784 K CA -0.346 56.075 56.287 0.224 0.000 1.021 784 K CB 0.832 33.409 32.500 0.127 0.000 1.233 784 K HN 0.190 nan 8.250 nan 0.000 0.497 785 C N -0.208 119.244 119.300 0.254 0.000 3.314 785 C HA 0.924 5.381 4.460 -0.004 0.000 0.344 785 C C -0.986 174.027 174.990 0.038 0.000 1.461 785 C CA -0.996 58.076 59.018 0.090 0.000 1.249 785 C CB 0.911 28.645 27.740 -0.010 0.000 1.632 785 C HN 0.749 nan 8.230 nan 0.000 0.452 786 A N 0.448 123.212 122.820 -0.094 0.000 2.324 786 A HA 0.904 5.222 4.320 -0.004 0.000 0.330 786 A C -0.780 176.787 177.584 -0.028 0.000 1.165 786 A CA -0.502 51.466 52.037 -0.115 0.000 0.813 786 A CB 1.092 19.988 19.000 -0.174 0.000 1.197 786 A HN 1.815 nan 8.150 nan 0.000 0.484 787 V N 1.600 121.572 119.914 0.097 0.000 3.178 787 V HA 0.615 4.733 4.120 -0.004 0.000 0.302 787 V C -1.006 175.192 176.094 0.173 0.000 1.262 787 V CA -0.686 61.723 62.300 0.182 0.000 1.030 787 V CB 2.733 34.610 31.823 0.090 0.000 1.074 787 V HN 1.151 nan 8.190 nan 0.000 0.438 788 K N 3.244 123.734 120.400 0.150 0.000 2.477 788 K HA 0.844 5.162 4.320 -0.004 0.000 0.255 788 K C -1.967 174.636 176.600 0.005 0.000 0.952 788 K CA -0.903 55.389 56.287 0.008 0.000 0.826 788 K CB 2.460 34.869 32.500 -0.152 0.000 1.331 788 K HN 0.485 nan 8.250 nan 0.000 0.437 789 L N 2.081 123.294 121.223 -0.017 0.000 2.322 789 L HA 0.448 4.785 4.340 -0.004 0.000 0.281 789 L C -0.240 176.613 176.870 -0.030 0.000 1.014 789 L CA -0.810 54.022 54.840 -0.014 0.000 0.815 789 L CB 1.577 43.633 42.059 -0.006 0.000 1.247 789 L HN 0.818 nan 8.230 nan 0.000 0.421 790 E N 2.200 122.384 120.200 -0.027 0.000 2.244 790 E HA 0.516 4.864 4.350 -0.004 0.000 0.266 790 E C -1.172 175.414 176.600 -0.023 0.000 0.914 790 E CA -1.087 55.295 56.400 -0.030 0.000 0.794 790 E CB 2.285 31.965 29.700 -0.034 0.000 1.210 790 E HN 0.396 nan 8.360 nan 0.000 0.414 791 K N 0.000 120.386 120.400 -0.023 0.000 2.780 791 K HA 0.000 4.318 4.320 -0.004 0.000 0.191 791 K CA 0.000 56.275 56.287 -0.020 0.000 0.838 791 K CB 0.000 32.489 32.500 -0.019 0.000 1.064 791 K HN 0.000 nan 8.250 nan 0.000 0.543