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 3fcp_1_G DATA FIRST_RESID 5 DATA SEQUENCE ATVEQIESWI VDVPTIXXXX XXXXXXXCQS LVIVRLTRSD GICGIGEATT DATA SEQUENCE IGGLSYGVES PEAISSAITH YLTPLLKGQP ADNLNALTAR MNGAIKGNTF DATA SEQUENCE AKSAIETALL DAQGKALGLP VSALLGGALQ TALPVLWTLA SGDTAKDIAE DATA SEQUENCE GEKLLAXXXX RAFKLKIGAR ELATDLRHTR AIVEALGDRA SIRVDVNQAW DATA SEQUENCE DAATGAKGCR ELAAMGVDLI EQPVSAHDNA ALVRLSQQIE TAILADEAVA DATA SEQUENCE TAYDGYQLAQ QGFTGAYALK IAKAGGPNSV LALARVAQAA GIGLYGGTML DATA SEQUENCE EGTVGTVASL HAWSTLPLQW GTEMFGPLLL KDDIVSVPLT FADGQVALPQ DATA SEQUENCE TPGLGVELDE DKLHFYTRQ 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 5 A HA 0.000 nan 4.320 nan 0.000 0.244 5 A C 0.000 177.582 177.584 -0.004 0.000 1.274 5 A CA 0.000 52.035 52.037 -0.003 0.000 0.836 5 A CB 0.000 18.998 19.000 -0.004 0.000 0.831 6 T N -1.682 112.870 114.554 -0.003 0.000 2.926 6 T HA 0.711 5.061 4.350 -0.001 0.000 0.289 6 T C -0.207 174.490 174.700 -0.004 0.000 1.054 6 T CA -0.194 61.904 62.100 -0.004 0.000 1.015 6 T CB 1.337 70.203 68.868 -0.004 0.000 1.167 6 T HN 2.069 nan 8.240 nan 0.000 0.526 7 V N 1.614 121.525 119.914 -0.005 0.000 2.397 7 V HA 0.258 4.378 4.120 -0.001 0.000 0.262 7 V C 1.180 177.269 176.094 -0.008 0.000 1.047 7 V CA 0.214 62.510 62.300 -0.007 0.000 1.003 7 V CB -0.110 31.708 31.823 -0.008 0.000 1.037 7 V HN 1.086 nan 8.190 nan 0.000 0.480 8 E N 4.291 124.487 120.200 -0.006 0.000 2.122 8 E HA 0.041 4.390 4.350 -0.001 0.000 0.190 8 E C 0.794 177.387 176.600 -0.012 0.000 0.977 8 E CA 0.409 56.805 56.400 -0.007 0.000 0.820 8 E CB 0.233 29.932 29.700 -0.002 0.000 0.770 8 E HN 0.830 nan 8.360 nan 0.000 0.462 9 Q N 0.361 120.153 119.800 -0.012 0.000 2.435 9 Q HA 0.327 4.667 4.340 -0.001 0.000 0.282 9 Q C -1.825 174.157 176.000 -0.031 0.000 1.020 9 Q CA -0.629 55.161 55.803 -0.022 0.000 0.820 9 Q CB 1.577 30.307 28.738 -0.013 0.000 1.436 9 Q HN 0.174 nan 8.270 nan 0.000 0.395 10 I N 2.290 122.826 120.570 -0.057 0.000 2.478 10 I HA 0.387 4.556 4.170 -0.001 0.000 0.287 10 I C -0.718 175.307 176.117 -0.154 0.000 1.042 10 I CA -0.459 60.792 61.300 -0.082 0.000 1.067 10 I CB 2.238 40.197 38.000 -0.069 0.000 1.233 10 I HN 0.565 nan 8.210 nan 0.000 0.431 11 E N 4.186 124.249 120.200 -0.230 0.000 2.244 11 E HA 0.701 5.051 4.350 -0.001 0.000 0.266 11 E C -1.039 175.131 176.600 -0.717 0.000 0.914 11 E CA -0.706 55.393 56.400 -0.502 0.000 0.794 11 E CB 2.487 31.853 29.700 -0.556 0.000 1.210 11 E HN 0.626 nan 8.360 nan 0.000 0.414 12 S N 1.139 116.260 115.700 -0.965 0.000 2.556 12 S HA 0.650 5.119 4.470 -0.001 0.000 0.271 12 S C -1.436 172.688 174.600 -0.793 0.000 1.135 12 S CA -1.025 56.765 58.200 -0.684 0.000 0.858 12 S CB 1.326 64.368 63.200 -0.263 0.000 1.114 12 S HN 0.512 nan 8.310 nan 0.000 0.468 13 W N 0.880 122.202 121.300 0.036 0.000 3.127 13 W HA 0.478 5.138 4.660 -0.001 0.000 0.330 13 W C -1.282 175.261 176.519 0.041 0.000 1.187 13 W CA -1.028 56.341 57.345 0.041 0.000 1.198 13 W CB 1.687 31.171 29.460 0.039 0.000 1.408 13 W HN 0.588 nan 8.180 nan 0.000 0.529 14 I N 2.911 123.637 120.570 0.261 0.000 2.304 14 I HA 0.233 4.402 4.170 -0.001 0.000 0.291 14 I C -0.179 176.040 176.117 0.170 0.000 1.018 14 I CA -0.671 60.730 61.300 0.168 0.000 1.260 14 I CB 1.023 39.091 38.000 0.113 0.000 1.390 14 I HN -0.119 nan 8.210 nan 0.000 0.475 15 V N 5.827 125.827 119.914 0.142 0.000 2.384 15 V HA 0.279 4.399 4.120 -0.001 0.000 0.287 15 V C -0.404 175.729 176.094 0.065 0.000 1.020 15 V CA -0.709 61.660 62.300 0.114 0.000 0.850 15 V CB 1.784 33.669 31.823 0.103 0.000 0.987 15 V HN 0.570 nan 8.190 nan 0.000 0.436 16 D N 4.311 124.750 120.400 0.065 0.000 2.373 16 D HA 0.409 5.048 4.640 -0.001 0.000 0.227 16 D C -0.182 176.097 176.300 -0.035 0.000 1.091 16 D CA 0.042 54.057 54.000 0.025 0.000 0.840 16 D CB 2.136 42.959 40.800 0.039 0.000 1.060 16 D HN 0.448 nan 8.370 nan 0.000 0.502 17 V N 0.443 120.269 119.914 -0.145 0.000 2.667 17 V HA 0.669 4.789 4.120 -0.001 0.000 0.308 17 V C -2.564 173.424 176.094 -0.177 0.000 1.048 17 V CA -2.315 59.769 62.300 -0.359 0.000 0.928 17 V CB 1.998 33.559 31.823 -0.437 0.000 1.004 17 V HN 0.225 nan 8.190 nan 0.000 0.444 18 P HA 0.282 nan 4.420 nan 0.000 0.275 18 P C -0.169 177.116 177.300 -0.025 0.000 1.228 18 P CA 0.324 63.406 63.100 -0.029 0.000 0.786 18 P CB 1.138 32.862 31.700 0.041 0.000 0.927 19 T N -0.017 114.541 114.554 0.006 0.000 2.949 19 T HA 0.624 4.974 4.350 -0.001 0.000 0.287 19 T C 0.975 175.698 174.700 0.039 0.000 1.034 19 T CA -1.012 61.101 62.100 0.021 0.000 1.018 19 T CB 0.697 69.581 68.868 0.026 0.000 1.135 19 T HN 0.434 nan 8.240 nan 0.000 0.532 33 Q N 1.341 121.137 119.800 -0.007 0.000 2.304 33 Q HA 0.677 5.016 4.340 -0.001 0.000 0.270 33 Q C -1.104 174.897 176.000 0.001 0.000 1.035 33 Q CA 0.127 55.929 55.803 -0.001 0.000 0.781 33 Q CB 1.816 30.549 28.738 -0.009 0.000 1.261 33 Q HN 0.747 nan 8.270 nan 0.000 0.444 34 S N 4.553 120.265 115.700 0.020 0.000 2.438 34 S HA 0.621 5.090 4.470 -0.001 0.000 0.293 34 S C -0.563 174.064 174.600 0.045 0.000 1.141 34 S CA -0.576 57.644 58.200 0.033 0.000 1.080 34 S CB 0.115 63.338 63.200 0.039 0.000 0.978 34 S HN 0.578 nan 8.310 nan 0.000 0.479 35 L N 2.708 123.961 121.223 0.050 0.000 2.346 35 L HA 0.663 5.002 4.340 -0.001 0.000 0.274 35 L C -0.699 176.228 176.870 0.095 0.000 1.007 35 L CA -1.129 53.750 54.840 0.065 0.000 0.818 35 L CB 1.463 43.550 42.059 0.047 0.000 1.284 35 L HN 0.253 nan 8.230 nan 0.000 0.424 36 V N 4.226 124.203 119.914 0.104 0.000 2.311 36 V HA 0.355 4.475 4.120 -0.001 0.000 0.275 36 V C 0.158 176.331 176.094 0.131 0.000 1.022 36 V CA -0.351 62.021 62.300 0.120 0.000 0.830 36 V CB 1.311 33.196 31.823 0.103 0.000 1.012 36 V HN 0.412 nan 8.190 nan 0.000 0.452 37 I N 6.149 126.836 120.570 0.196 0.000 2.428 37 I HA 0.536 4.706 4.170 -0.001 0.000 0.296 37 I C 0.104 176.375 176.117 0.256 0.000 0.985 37 I CA -0.392 61.049 61.300 0.236 0.000 1.260 37 I CB 1.799 39.977 38.000 0.297 0.000 1.389 37 I HN 0.466 nan 8.210 nan 0.000 0.484 38 V N 4.389 124.410 119.914 0.179 0.000 2.735 38 V HA 0.711 4.831 4.120 -0.001 0.000 0.310 38 V C -0.505 175.675 176.094 0.143 0.000 1.061 38 V CA -0.925 61.425 62.300 0.084 0.000 0.913 38 V CB 2.380 34.214 31.823 0.018 0.000 1.005 38 V HN 0.892 nan 8.190 nan 0.000 0.428 39 R N 3.611 124.169 120.500 0.096 0.000 2.476 39 R HA 0.715 5.055 4.340 -0.001 0.000 0.305 39 R C -2.059 174.265 176.300 0.040 0.000 0.965 39 R CA -0.699 55.485 56.100 0.140 0.000 0.867 39 R CB 1.963 32.451 30.300 0.312 0.000 1.176 39 R HN 0.998 nan 8.270 nan 0.000 0.447 40 L N 3.657 124.900 121.223 0.033 0.000 2.322 40 L HA 0.526 4.866 4.340 -0.001 0.000 0.281 40 L C -1.080 175.800 176.870 0.017 0.000 1.014 40 L CA -0.290 54.556 54.840 0.009 0.000 0.815 40 L CB 2.277 44.336 42.059 -0.000 0.000 1.247 40 L HN 0.641 nan 8.230 nan 0.000 0.421 41 T N 4.392 118.953 114.554 0.012 0.000 2.771 41 T HA 0.501 4.850 4.350 -0.001 0.000 0.281 41 T C -0.102 174.601 174.700 0.006 0.000 0.982 41 T CA -0.526 61.583 62.100 0.015 0.000 0.978 41 T CB 1.109 69.990 68.868 0.022 0.000 0.930 41 T HN 0.566 nan 8.240 nan 0.000 0.447 42 R N 1.174 121.677 120.500 0.005 0.000 2.528 42 R HA 0.325 4.664 4.340 -0.001 0.000 0.271 42 R C 1.786 178.088 176.300 0.002 0.000 1.056 42 R CA -0.386 55.715 56.100 0.001 0.000 1.117 42 R CB 0.475 30.774 30.300 -0.001 0.000 1.085 42 R HN 0.759 nan 8.270 nan 0.000 0.530 43 S N -0.048 115.652 115.700 0.000 0.000 2.442 43 S HA -0.150 4.320 4.470 -0.001 0.000 0.236 43 S C 0.913 175.514 174.600 0.002 0.000 1.007 43 S CA 1.334 59.534 58.200 0.001 0.000 0.965 43 S CB -0.257 62.942 63.200 -0.001 0.000 0.773 43 S HN 0.771 nan 8.310 nan 0.000 0.504 44 D N 0.203 120.604 120.400 0.001 0.000 2.336 44 D HA 0.326 4.965 4.640 -0.001 0.000 0.228 44 D C 1.349 177.651 176.300 0.003 0.000 1.120 44 D CA 0.344 54.345 54.000 0.001 0.000 0.839 44 D CB -0.604 40.196 40.800 -0.001 0.000 0.932 44 D HN 0.485 nan 8.370 nan 0.000 0.509 45 G N 0.234 109.038 108.800 0.006 0.000 2.234 45 G HA2 -0.306 3.654 3.960 -0.001 0.000 0.260 45 G HA3 -0.306 3.654 3.960 -0.001 0.000 0.260 45 G C 0.250 175.156 174.900 0.010 0.000 0.987 45 G CA 0.239 45.345 45.100 0.009 0.000 0.625 45 G HN 0.472 nan 8.290 nan 0.000 0.532 46 I N 1.261 121.835 120.570 0.006 0.000 2.474 46 I HA 0.349 4.519 4.170 -0.001 0.000 0.287 46 I C 0.828 176.951 176.117 0.010 0.000 1.048 46 I CA -0.624 60.680 61.300 0.006 0.000 1.383 46 I CB 0.907 38.907 38.000 -0.001 0.000 1.412 46 I HN 0.132 nan 8.210 nan 0.000 0.531 47 C N 4.382 123.690 119.300 0.014 0.000 2.454 47 C HA 0.866 5.325 4.460 -0.001 0.000 0.336 47 C C 0.611 175.611 174.990 0.017 0.000 1.189 47 C CA -0.395 58.637 59.018 0.023 0.000 1.877 47 C CB 1.120 28.884 27.740 0.040 0.000 2.348 47 C HN 0.946 nan 8.230 nan 0.000 0.508 48 G N 1.858 110.671 108.800 0.020 0.000 2.620 48 G HA2 0.730 4.690 3.960 -0.001 0.000 0.301 48 G HA3 0.730 4.690 3.960 -0.001 0.000 0.301 48 G C -1.158 173.760 174.900 0.030 0.000 1.347 48 G CA -0.273 44.833 45.100 0.011 0.000 0.971 48 G HN 0.761 nan 8.290 nan 0.000 0.488 49 I N -0.639 119.948 120.570 0.029 0.000 2.846 49 I HA 0.978 5.148 4.170 -0.001 0.000 0.307 49 I C 0.024 176.159 176.117 0.031 0.000 1.053 49 I CA -1.465 59.867 61.300 0.053 0.000 1.050 49 I CB 1.521 39.564 38.000 0.072 0.000 1.239 49 I HN 0.821 nan 8.210 nan 0.000 0.439 50 G N 2.657 111.484 108.800 0.045 0.000 2.695 50 G HA2 0.586 4.546 3.960 -0.001 0.000 0.290 50 G HA3 0.586 4.546 3.960 -0.001 0.000 0.290 50 G C -1.951 172.974 174.900 0.041 0.000 1.410 50 G CA -0.574 44.539 45.100 0.022 0.000 0.844 50 G HN 0.956 nan 8.290 nan 0.000 0.478 51 E N -0.884 119.327 120.200 0.019 0.000 2.331 51 E HA 0.626 4.976 4.350 -0.001 0.000 0.275 51 E C -1.271 175.341 176.600 0.020 0.000 0.895 51 E CA -1.060 55.360 56.400 0.032 0.000 0.753 51 E CB 2.173 31.887 29.700 0.022 0.000 1.216 51 E HN 0.852 nan 8.360 nan 0.000 0.434 52 A N 3.055 125.910 122.820 0.059 0.000 2.375 52 A HA 0.630 4.950 4.320 -0.001 0.000 0.291 52 A C -0.942 176.733 177.584 0.151 0.000 1.160 52 A CA -0.421 51.673 52.037 0.095 0.000 0.747 52 A CB 1.748 20.833 19.000 0.142 0.000 1.170 52 A HN 0.464 nan 8.150 nan 0.000 0.458 53 T N 0.917 115.569 114.554 0.164 0.000 2.906 53 T HA 0.821 5.171 4.350 -0.001 0.000 0.295 53 T C -0.173 174.699 174.700 0.286 0.000 1.061 53 T CA -0.278 61.924 62.100 0.170 0.000 1.000 53 T CB 2.009 70.924 68.868 0.078 0.000 1.103 53 T HN 0.842 nan 8.240 nan 0.000 0.486 54 T N 0.588 115.269 114.554 0.210 0.000 2.654 54 T HA 0.827 5.177 4.350 -0.001 0.000 0.289 54 T C -1.678 173.084 174.700 0.103 0.000 1.062 54 T CA -0.761 61.467 62.100 0.214 0.000 1.041 54 T CB 0.838 69.762 68.868 0.094 0.000 1.417 54 T HN 0.687 nan 8.240 nan 0.000 0.510 55 I N -1.615 119.013 120.570 0.097 0.000 2.769 55 I HA 0.756 4.926 4.170 -0.001 0.000 0.298 55 I C 0.849 177.107 176.117 0.234 0.000 1.128 55 I CA -0.548 60.802 61.300 0.083 0.000 1.031 55 I CB 1.822 39.784 38.000 -0.064 0.000 1.235 55 I HN 0.925 nan 8.210 nan 0.000 0.423 56 G N 2.721 111.650 108.800 0.214 0.000 2.179 56 G HA2 0.009 3.969 3.960 -0.001 0.000 0.257 56 G HA3 0.009 3.969 3.960 -0.001 0.000 0.257 56 G C 1.001 175.958 174.900 0.094 0.000 1.010 56 G CA 0.668 45.910 45.100 0.236 0.000 0.736 56 G HN 2.301 nan 8.290 nan 0.000 0.513 57 G N -0.529 108.308 108.800 0.061 0.000 3.581 57 G HA2 -0.354 3.605 3.960 -0.001 0.000 0.336 57 G HA3 -0.354 3.605 3.960 -0.001 0.000 0.336 57 G C 0.951 175.835 174.900 -0.027 0.000 1.259 57 G CA 1.009 46.114 45.100 0.008 0.000 1.001 57 G HN 1.382 nan 8.290 nan 0.000 0.662 58 L N 1.189 122.382 121.223 -0.050 0.000 3.069 58 L HA 0.307 4.647 4.340 -0.001 0.000 0.271 58 L C 2.234 179.029 176.870 -0.126 0.000 1.201 58 L CA 0.675 55.466 54.840 -0.082 0.000 1.015 58 L CB 0.942 42.955 42.059 -0.077 0.000 1.371 58 L HN 0.381 nan 8.230 nan 0.000 0.574 59 S N -0.497 115.099 115.700 -0.174 0.000 2.428 59 S HA -0.035 4.435 4.470 -0.001 0.000 0.230 59 S C 1.274 175.483 174.600 -0.651 0.000 1.014 59 S CA 1.147 59.093 58.200 -0.424 0.000 0.957 59 S CB -0.000 62.861 63.200 -0.564 0.000 0.784 59 S HN 0.438 nan 8.310 nan 0.000 0.499 60 Y N 0.341 120.614 120.300 -0.044 0.000 2.430 60 Y HA 0.478 5.028 4.550 -0.000 0.000 0.254 60 Y C 1.176 177.045 175.900 -0.052 0.000 1.088 60 Y CA -0.257 57.819 58.100 -0.040 0.000 1.267 60 Y CB 0.565 39.013 38.460 -0.021 0.000 1.204 60 Y HN 0.230 nan 8.280 nan 0.000 0.515 61 G N -0.658 108.149 108.800 0.011 0.000 2.695 61 G HA2 0.412 4.371 3.960 -0.001 0.000 0.290 61 G HA3 0.412 4.371 3.960 -0.001 0.000 0.290 61 G C -0.019 174.802 174.900 -0.131 0.000 1.410 61 G CA -0.123 44.936 45.100 -0.069 0.000 0.844 61 G HN -0.010 nan 8.290 nan 0.000 0.478 62 V N -2.716 117.108 119.914 -0.150 0.000 3.541 62 V HA 0.335 4.455 4.120 -0.001 0.000 0.267 62 V C 0.412 176.399 176.094 -0.179 0.000 1.213 62 V CA 0.734 62.955 62.300 -0.133 0.000 1.149 62 V CB -0.612 31.159 31.823 -0.088 0.000 0.822 62 V HN 0.512 nan 8.190 nan 0.000 0.462 63 E N 2.314 122.325 120.200 -0.315 0.000 2.113 63 E HA 0.486 4.836 4.350 -0.001 0.000 0.273 63 E C -0.047 176.367 176.600 -0.310 0.000 0.924 63 E CA -0.041 56.153 56.400 -0.343 0.000 0.764 63 E CB 1.540 30.920 29.700 -0.533 0.000 1.104 63 E HN 0.678 nan 8.360 nan 0.000 0.406 64 S N 2.288 117.890 115.700 -0.164 0.000 2.693 64 S HA 0.322 4.792 4.470 -0.001 0.000 0.276 64 S C -1.964 172.601 174.600 -0.059 0.000 1.192 64 S CA -1.352 56.788 58.200 -0.100 0.000 0.994 64 S CB 1.599 64.763 63.200 -0.061 0.000 1.012 64 S HN 0.127 nan 8.310 nan 0.000 0.550 65 P HA -0.140 nan 4.420 nan 0.000 0.215 65 P C 1.464 178.777 177.300 0.022 0.000 1.153 65 P CA 1.254 64.366 63.100 0.021 0.000 0.853 65 P CB -0.019 31.701 31.700 0.034 0.000 0.788 66 E N -0.130 120.076 120.200 0.010 0.000 2.150 66 E HA -0.115 4.235 4.350 -0.001 0.000 0.193 66 E C 1.925 178.528 176.600 0.005 0.000 0.985 66 E CA 1.508 57.915 56.400 0.011 0.000 0.814 66 E CB -1.243 28.459 29.700 0.003 0.000 0.752 66 E HN 0.180 nan 8.360 nan 0.000 0.466 67 A N 1.559 124.373 122.820 -0.010 0.000 1.930 67 A HA 0.031 4.351 4.320 -0.001 0.000 0.215 67 A C 2.356 179.948 177.584 0.013 0.000 1.176 67 A CA 0.637 52.667 52.037 -0.012 0.000 0.632 67 A CB -0.530 18.446 19.000 -0.039 0.000 0.819 67 A HN 0.165 nan 8.150 nan 0.000 0.445 68 I N -0.757 119.822 120.570 0.015 0.000 2.252 68 I HA -0.203 3.966 4.170 -0.001 0.000 0.245 68 I C 2.820 178.975 176.117 0.063 0.000 1.102 68 I CA 1.492 62.824 61.300 0.052 0.000 1.385 68 I CB -0.207 37.839 38.000 0.076 0.000 1.064 68 I HN 0.397 nan 8.210 nan 0.000 0.414 69 S N -0.181 115.550 115.700 0.052 0.000 2.382 69 S HA -0.221 4.249 4.470 -0.001 0.000 0.228 69 S C 2.271 176.908 174.600 0.061 0.000 1.027 69 S CA 1.986 60.215 58.200 0.047 0.000 0.991 69 S CB -0.295 62.931 63.200 0.043 0.000 0.823 69 S HN 0.464 nan 8.310 nan 0.000 0.469 70 S N 0.761 116.499 115.700 0.063 0.000 2.356 70 S HA -0.012 4.458 4.470 -0.001 0.000 0.223 70 S C 2.119 176.820 174.600 0.169 0.000 1.032 70 S CA 1.453 59.701 58.200 0.080 0.000 1.005 70 S CB -0.829 62.374 63.200 0.005 0.000 0.867 70 S HN 0.692 nan 8.310 nan 0.000 0.449 71 A N 1.342 124.263 122.820 0.168 0.000 1.908 71 A HA -0.020 4.300 4.320 -0.001 0.000 0.218 71 A C 2.139 179.847 177.584 0.207 0.000 1.181 71 A CA 1.627 53.809 52.037 0.242 0.000 0.627 71 A CB -0.786 18.292 19.000 0.131 0.000 0.818 71 A HN 0.644 nan 8.150 nan 0.000 0.445 72 I N -0.810 119.830 120.570 0.117 0.000 2.163 72 I HA -0.204 3.965 4.170 -0.001 0.000 0.240 72 I C 2.651 178.786 176.117 0.032 0.000 1.081 72 I CA 1.782 63.119 61.300 0.062 0.000 1.353 72 I CB -0.726 37.286 38.000 0.020 0.000 1.054 72 I HN 0.258 nan 8.210 nan 0.000 0.407 73 T N -0.870 113.704 114.554 0.033 0.000 2.701 73 T HA -0.201 4.149 4.350 -0.001 0.000 0.263 73 T C 1.842 176.483 174.700 -0.099 0.000 1.040 73 T CA 1.661 63.745 62.100 -0.026 0.000 1.147 73 T CB -0.371 68.510 68.868 0.022 0.000 0.865 73 T HN 0.344 nan 8.240 nan 0.000 0.426 74 H N -0.959 118.009 119.070 -0.169 0.000 2.482 74 H HA 0.192 4.748 4.556 -0.000 0.000 0.286 74 H C 1.233 176.180 175.328 -0.636 0.000 1.017 74 H CA 0.864 56.659 56.048 -0.422 0.000 1.322 74 H CB 0.105 29.519 29.762 -0.580 0.000 1.426 74 H HN 0.428 nan 8.280 nan 0.000 0.546 75 Y N -1.525 118.831 120.300 0.093 0.000 2.678 75 Y HA 0.172 4.721 4.550 -0.000 0.000 0.274 75 Y C 1.999 177.911 175.900 0.020 0.000 1.114 75 Y CA -0.090 58.039 58.100 0.048 0.000 1.274 75 Y CB -0.111 38.378 38.460 0.047 0.000 1.438 75 Y HN -0.070 nan 8.280 nan 0.000 0.493 76 L N -0.371 120.952 121.223 0.166 0.000 2.093 76 L HA -0.173 4.167 4.340 -0.001 0.000 0.208 76 L C 2.110 178.999 176.870 0.032 0.000 1.085 76 L CA 1.704 56.597 54.840 0.087 0.000 0.755 76 L CB -0.651 41.451 42.059 0.071 0.000 0.904 76 L HN 0.274 nan 8.230 nan 0.000 0.435 77 T N 0.373 114.928 114.554 0.001 0.000 2.643 77 T HA -0.089 4.261 4.350 -0.001 0.000 0.264 77 T C -0.504 174.175 174.700 -0.035 0.000 1.045 77 T CA 1.628 63.708 62.100 -0.034 0.000 1.155 77 T CB -1.179 67.646 68.868 -0.072 0.000 0.863 77 T HN 0.290 nan 8.240 nan 0.000 0.420 78 P HA -0.019 nan 4.420 nan 0.000 0.220 78 P C 1.704 178.997 177.300 -0.011 0.000 1.148 78 P CA 0.716 63.791 63.100 -0.043 0.000 0.803 78 P CB -0.161 31.497 31.700 -0.069 0.000 0.782 79 L N -0.629 120.601 121.223 0.012 0.000 2.156 79 L HA -0.018 4.321 4.340 -0.001 0.000 0.208 79 L C 2.121 179.000 176.870 0.016 0.000 1.095 79 L CA 1.559 56.416 54.840 0.027 0.000 0.770 79 L CB -1.063 41.030 42.059 0.056 0.000 0.914 79 L HN -0.037 nan 8.230 nan 0.000 0.439 80 L N -0.561 120.668 121.223 0.009 0.000 2.408 80 L HA 0.047 4.387 4.340 -0.001 0.000 0.215 80 L C 0.988 177.855 176.870 -0.005 0.000 1.081 80 L CA -0.063 54.780 54.840 0.004 0.000 0.840 80 L CB -0.110 41.951 42.059 0.004 0.000 1.002 80 L HN 0.045 nan 8.230 nan 0.000 0.468 81 K N 1.024 121.417 120.400 -0.012 0.000 2.491 81 K HA 0.111 4.431 4.320 -0.001 0.000 0.279 81 K C 1.021 177.615 176.600 -0.011 0.000 1.026 81 K CA 0.893 57.170 56.287 -0.015 0.000 1.070 81 K CB 0.260 32.746 32.500 -0.024 0.000 0.887 81 K HN 0.316 nan 8.250 nan 0.000 0.481 82 G N 1.951 110.746 108.800 -0.009 0.000 2.213 82 G HA2 -0.212 3.747 3.960 -0.001 0.000 0.236 82 G HA3 -0.212 3.747 3.960 -0.001 0.000 0.236 82 G C -0.074 174.824 174.900 -0.004 0.000 0.991 82 G CA -0.393 44.703 45.100 -0.007 0.000 0.629 82 G HN 0.513 nan 8.290 nan 0.000 0.517 83 Q N 0.897 120.695 119.800 -0.003 0.000 2.299 83 Q HA 0.400 4.740 4.340 -0.001 0.000 0.246 83 Q C -2.490 173.508 176.000 -0.002 0.000 0.935 83 Q CA -1.844 53.958 55.803 -0.001 0.000 0.887 83 Q CB 0.703 29.442 28.738 0.001 0.000 1.223 83 Q HN 0.187 nan 8.270 nan 0.000 0.439 84 P HA -0.017 nan 4.420 nan 0.000 0.262 84 P C -0.252 177.046 177.300 -0.004 0.000 1.199 84 P CA 0.387 63.485 63.100 -0.003 0.000 0.763 84 P CB 0.507 32.206 31.700 -0.002 0.000 0.790 85 A N 3.677 126.494 122.820 -0.005 0.000 2.119 85 A HA -0.104 4.215 4.320 -0.001 0.000 0.216 85 A C 1.550 179.128 177.584 -0.009 0.000 1.152 85 A CA 1.261 53.294 52.037 -0.007 0.000 0.708 85 A CB -0.449 18.547 19.000 -0.007 0.000 0.805 85 A HN 0.412 nan 8.150 nan 0.000 0.460 86 D N -0.447 119.948 120.400 -0.008 0.000 2.346 86 D HA -0.033 4.607 4.640 -0.001 0.000 0.206 86 D C 0.175 176.469 176.300 -0.009 0.000 1.001 86 D CA 0.146 54.139 54.000 -0.010 0.000 0.871 86 D CB -0.118 40.676 40.800 -0.010 0.000 0.943 86 D HN 0.226 nan 8.370 nan 0.000 0.518 87 N N 2.442 121.139 118.700 -0.006 0.000 2.671 87 N HA -0.026 4.714 4.740 -0.001 0.000 0.274 87 N C 1.316 176.824 175.510 -0.004 0.000 1.188 87 N CA -0.112 52.935 53.050 -0.004 0.000 1.065 87 N CB 0.224 38.709 38.487 -0.002 0.000 1.415 87 N HN 0.064 nan 8.380 nan 0.000 0.511 88 L N 2.301 123.520 121.223 -0.007 0.000 2.012 88 L HA -0.203 4.136 4.340 -0.001 0.000 0.210 88 L C 1.547 178.416 176.870 -0.002 0.000 1.073 88 L CA 1.478 56.313 54.840 -0.007 0.000 0.748 88 L CB -0.599 41.453 42.059 -0.011 0.000 0.891 88 L HN 0.501 nan 8.230 nan 0.000 0.431 89 N N -0.030 118.669 118.700 -0.001 0.000 2.142 89 N HA -0.121 4.619 4.740 -0.001 0.000 0.186 89 N C 1.816 177.330 175.510 0.006 0.000 1.023 89 N CA 1.500 54.552 53.050 0.003 0.000 0.852 89 N CB -0.128 38.361 38.487 0.002 0.000 0.998 89 N HN 0.321 nan 8.380 nan 0.000 0.424 90 A N 1.295 124.118 122.820 0.005 0.000 1.898 90 A HA -0.011 4.309 4.320 -0.001 0.000 0.216 90 A C 2.403 179.992 177.584 0.008 0.000 1.181 90 A CA 0.808 52.849 52.037 0.006 0.000 0.620 90 A CB -0.681 18.322 19.000 0.004 0.000 0.819 90 A HN 0.182 nan 8.150 nan 0.000 0.442 91 L N -0.780 120.446 121.223 0.006 0.000 2.093 91 L HA -0.145 4.195 4.340 -0.001 0.000 0.208 91 L C 2.746 179.622 176.870 0.011 0.000 1.085 91 L CA 1.693 56.537 54.840 0.007 0.000 0.755 91 L CB -0.760 41.301 42.059 0.003 0.000 0.904 91 L HN 0.330 nan 8.230 nan 0.000 0.435 92 T N -0.245 114.316 114.554 0.011 0.000 2.777 92 T HA -0.117 4.232 4.350 -0.001 0.000 0.266 92 T C 2.025 176.739 174.700 0.023 0.000 1.040 92 T CA 1.215 63.324 62.100 0.016 0.000 1.141 92 T CB -0.181 68.695 68.868 0.013 0.000 0.868 92 T HN 0.428 nan 8.240 nan 0.000 0.444 93 A N 1.670 124.503 122.820 0.021 0.000 1.902 93 A HA -0.104 4.216 4.320 -0.001 0.000 0.217 93 A C 2.294 179.891 177.584 0.023 0.000 1.181 93 A CA 1.739 53.790 52.037 0.024 0.000 0.623 93 A CB -0.568 18.444 19.000 0.020 0.000 0.818 93 A HN 0.404 nan 8.150 nan 0.000 0.443 94 R N -0.902 119.609 120.500 0.019 0.000 2.073 94 R HA -0.107 4.233 4.340 -0.001 0.000 0.234 94 R C 2.232 178.546 176.300 0.024 0.000 1.134 94 R CA 1.912 58.024 56.100 0.020 0.000 0.952 94 R CB -0.329 29.982 30.300 0.017 0.000 0.850 94 R HN 0.562 nan 8.270 nan 0.000 0.433 95 M N 0.526 120.141 119.600 0.025 0.000 2.080 95 M HA -0.178 4.302 4.480 -0.001 0.000 0.260 95 M C 1.739 178.056 176.300 0.028 0.000 1.068 95 M CA 1.605 56.923 55.300 0.029 0.000 1.109 95 M CB -0.338 32.279 32.600 0.029 0.000 1.342 95 M HN 0.153 nan 8.290 nan 0.000 0.405 96 N N 0.178 118.896 118.700 0.031 0.000 2.396 96 N HA -0.045 4.695 4.740 -0.001 0.000 0.180 96 N C 1.710 177.234 175.510 0.023 0.000 1.028 96 N CA 1.377 54.448 53.050 0.034 0.000 0.893 96 N CB -0.464 38.055 38.487 0.052 0.000 0.967 96 N HN 0.451 nan 8.380 nan 0.000 0.440 97 G N -0.098 108.715 108.800 0.021 0.000 2.464 97 G HA2 0.045 4.005 3.960 -0.001 0.000 0.217 97 G HA3 0.045 4.005 3.960 -0.001 0.000 0.217 97 G C 1.399 176.304 174.900 0.008 0.000 1.138 97 G CA 0.751 45.859 45.100 0.014 0.000 0.793 97 G HN 0.399 nan 8.290 nan 0.000 0.539 98 A N -0.471 122.357 122.820 0.013 0.000 2.115 98 A HA 0.572 4.892 4.320 -0.001 0.000 0.211 98 A C 0.684 178.264 177.584 -0.005 0.000 1.169 98 A CA 0.090 52.135 52.037 0.013 0.000 0.787 98 A CB 0.259 19.278 19.000 0.033 0.000 0.858 98 A HN 0.250 nan 8.150 nan 0.000 0.474 99 I N 1.191 121.756 120.570 -0.008 0.000 2.447 99 I HA 0.256 4.426 4.170 -0.001 0.000 0.287 99 I C -0.897 175.202 176.117 -0.031 0.000 1.023 99 I CA -0.852 60.425 61.300 -0.038 0.000 1.083 99 I CB 1.934 39.925 38.000 -0.016 0.000 1.245 99 I HN -0.080 nan 8.210 nan 0.000 0.434 100 K N 4.407 124.774 120.400 -0.054 0.000 2.249 100 K HA 0.510 4.830 4.320 -0.001 0.000 0.280 100 K C 0.724 177.308 176.600 -0.027 0.000 1.033 100 K CA 0.238 56.502 56.287 -0.037 0.000 0.946 100 K CB 1.326 33.796 32.500 -0.050 0.000 1.005 100 K HN 0.879 nan 8.250 nan 0.000 0.469 101 G N 3.280 112.081 108.800 0.002 0.000 2.596 101 G HA2 -0.396 3.564 3.960 -0.001 0.000 0.295 101 G HA3 -0.396 3.564 3.960 -0.001 0.000 0.295 101 G C -0.112 174.811 174.900 0.037 0.000 1.240 101 G CA 0.301 45.414 45.100 0.023 0.000 0.985 101 G HN 0.849 nan 8.290 nan 0.000 0.555 102 N N -0.067 118.660 118.700 0.044 0.000 2.725 102 N HA -0.244 4.496 4.740 -0.001 0.000 0.251 102 N C 1.517 177.103 175.510 0.126 0.000 1.031 102 N CA 1.830 54.921 53.050 0.070 0.000 0.720 102 N CB -1.303 37.202 38.487 0.030 0.000 0.930 102 N HN 1.477 nan 8.380 nan 0.000 0.543 103 T N -3.709 110.950 114.554 0.175 0.000 2.915 103 T HA -0.076 4.274 4.350 -0.001 0.000 0.269 103 T C 1.550 176.350 174.700 0.167 0.000 1.071 103 T CA 0.781 62.974 62.100 0.155 0.000 1.132 103 T CB -0.330 68.618 68.868 0.133 0.000 0.878 103 T HN 0.344 nan 8.240 nan 0.000 0.479 104 F N 2.026 121.983 119.950 0.013 0.000 2.113 104 F HA 0.112 4.638 4.527 -0.001 0.000 0.297 104 F C 3.034 178.842 175.800 0.013 0.000 1.103 104 F CA 0.810 58.818 58.000 0.013 0.000 1.248 104 F CB -0.506 38.502 39.000 0.014 0.000 0.999 104 F HN 0.238 nan 8.300 nan 0.000 0.475 105 A N 0.187 123.134 122.820 0.213 0.000 1.877 105 A HA -0.204 4.116 4.320 -0.001 0.000 0.216 105 A C 2.098 179.727 177.584 0.076 0.000 1.186 105 A CA 1.664 53.774 52.037 0.122 0.000 0.620 105 A CB -0.613 18.450 19.000 0.105 0.000 0.822 105 A HN 0.303 nan 8.150 nan 0.000 0.443 106 K N -0.322 120.120 120.400 0.070 0.000 2.097 106 K HA -0.119 4.201 4.320 -0.001 0.000 0.206 106 K C 2.413 179.021 176.600 0.012 0.000 1.049 106 K CA 1.342 57.653 56.287 0.039 0.000 0.933 106 K CB -0.208 32.316 32.500 0.041 0.000 0.717 106 K HN 0.459 nan 8.250 nan 0.000 0.442 107 S N 0.643 116.340 115.700 -0.005 0.000 2.368 107 S HA -0.157 4.313 4.470 -0.001 0.000 0.225 107 S C 2.073 176.650 174.600 -0.039 0.000 1.030 107 S CA 1.249 59.418 58.200 -0.051 0.000 0.999 107 S CB -0.193 62.935 63.200 -0.121 0.000 0.844 107 S HN 0.374 nan 8.310 nan 0.000 0.459 108 A N 2.014 124.828 122.820 -0.010 0.000 1.877 108 A HA -0.008 4.312 4.320 -0.001 0.000 0.216 108 A C 2.122 179.706 177.584 -0.001 0.000 1.186 108 A CA 1.546 53.583 52.037 0.001 0.000 0.620 108 A CB -0.733 18.285 19.000 0.031 0.000 0.822 108 A HN 0.564 nan 8.150 nan 0.000 0.443 109 I N -0.112 120.461 120.570 0.004 0.000 2.142 109 I HA -0.230 3.940 4.170 -0.001 0.000 0.240 109 I C 2.457 178.568 176.117 -0.010 0.000 1.078 109 I CA 1.942 63.242 61.300 0.000 0.000 1.343 109 I CB -1.497 36.508 38.000 0.008 0.000 1.046 109 I HN 0.563 nan 8.210 nan 0.000 0.405 110 E N 0.447 120.637 120.200 -0.015 0.000 2.118 110 E HA -0.209 4.140 4.350 -0.001 0.000 0.195 110 E C 2.057 178.633 176.600 -0.040 0.000 0.992 110 E CA 1.934 58.319 56.400 -0.026 0.000 0.804 110 E CB 0.145 29.828 29.700 -0.029 0.000 0.741 110 E HN 0.421 nan 8.360 nan 0.000 0.458 111 T N 0.421 114.948 114.554 -0.045 0.000 2.708 111 T HA -0.145 4.204 4.350 -0.001 0.000 0.266 111 T C 1.857 176.531 174.700 -0.044 0.000 1.037 111 T CA 1.353 63.419 62.100 -0.057 0.000 1.146 111 T CB -0.342 68.492 68.868 -0.057 0.000 0.865 111 T HN 0.341 nan 8.240 nan 0.000 0.435 112 A N 1.258 124.063 122.820 -0.024 0.000 1.908 112 A HA -0.041 4.279 4.320 -0.001 0.000 0.218 112 A C 2.319 179.890 177.584 -0.021 0.000 1.181 112 A CA 1.349 53.378 52.037 -0.013 0.000 0.627 112 A CB -0.956 18.045 19.000 0.002 0.000 0.818 112 A HN 0.482 nan 8.150 nan 0.000 0.445 113 L N -0.840 120.369 121.223 -0.024 0.000 2.042 113 L HA -0.198 4.142 4.340 -0.001 0.000 0.210 113 L C 2.579 179.426 176.870 -0.037 0.000 1.076 113 L CA 1.133 55.958 54.840 -0.025 0.000 0.749 113 L CB -0.493 41.553 42.059 -0.021 0.000 0.893 113 L HN 0.385 nan 8.230 nan 0.000 0.432 114 L N -0.624 120.568 121.223 -0.052 0.000 2.056 114 L HA -0.216 4.124 4.340 -0.001 0.000 0.207 114 L C 2.268 179.086 176.870 -0.087 0.000 1.078 114 L CA 1.220 56.016 54.840 -0.073 0.000 0.749 114 L CB -0.501 41.502 42.059 -0.093 0.000 0.901 114 L HN 0.272 nan 8.230 nan 0.000 0.433 115 D N 0.147 120.499 120.400 -0.081 0.000 2.104 115 D HA -0.200 4.440 4.640 -0.001 0.000 0.194 115 D C 2.145 178.412 176.300 -0.055 0.000 0.994 115 D CA 1.552 55.504 54.000 -0.080 0.000 0.830 115 D CB 0.125 40.893 40.800 -0.054 0.000 0.959 115 D HN 0.240 nan 8.370 nan 0.000 0.452 116 A N 0.142 122.940 122.820 -0.036 0.000 1.877 116 A HA -0.230 4.089 4.320 -0.001 0.000 0.216 116 A C 2.227 179.794 177.584 -0.029 0.000 1.186 116 A CA 2.001 54.024 52.037 -0.024 0.000 0.620 116 A CB -0.986 18.006 19.000 -0.014 0.000 0.822 116 A HN 0.450 nan 8.150 nan 0.000 0.443 117 Q N -0.573 119.206 119.800 -0.035 0.000 2.170 117 Q HA -0.099 4.240 4.340 -0.001 0.000 0.203 117 Q C 1.963 177.938 176.000 -0.041 0.000 0.976 117 Q CA 1.642 57.425 55.803 -0.034 0.000 0.858 117 Q CB -0.516 28.201 28.738 -0.035 0.000 0.907 117 Q HN 0.574 nan 8.270 nan 0.000 0.433 118 G N 0.840 109.605 108.800 -0.058 0.000 2.402 118 G HA2 -0.233 3.727 3.960 -0.001 0.000 0.216 118 G HA3 -0.233 3.727 3.960 -0.001 0.000 0.216 118 G C 1.276 176.147 174.900 -0.047 0.000 1.162 118 G CA 0.764 45.825 45.100 -0.066 0.000 0.777 118 G HN 0.295 nan 8.290 nan 0.000 0.539 119 K N 0.618 120.993 120.400 -0.040 0.000 2.097 119 K HA 0.065 4.385 4.320 -0.001 0.000 0.206 119 K C 2.880 179.468 176.600 -0.020 0.000 1.049 119 K CA 0.937 57.208 56.287 -0.027 0.000 0.933 119 K CB -0.190 32.298 32.500 -0.020 0.000 0.717 119 K HN 0.265 nan 8.250 nan 0.000 0.442 120 A N 0.958 123.766 122.820 -0.020 0.000 1.972 120 A HA -0.091 4.229 4.320 -0.001 0.000 0.219 120 A C 1.903 179.478 177.584 -0.015 0.000 1.169 120 A CA 1.251 53.279 52.037 -0.015 0.000 0.635 120 A CB -0.305 18.686 19.000 -0.015 0.000 0.810 120 A HN 0.184 nan 8.150 nan 0.000 0.446 121 L N -1.742 119.470 121.223 -0.019 0.000 2.616 121 L HA 0.272 4.612 4.340 -0.001 0.000 0.229 121 L C 1.446 178.306 176.870 -0.016 0.000 1.110 121 L CA 0.442 55.272 54.840 -0.017 0.000 0.884 121 L CB 0.112 42.159 42.059 -0.020 0.000 1.115 121 L HN 0.526 nan 8.230 nan 0.000 0.481 122 G N 1.303 110.092 108.800 -0.018 0.000 2.198 122 G HA2 -0.258 3.702 3.960 -0.001 0.000 0.257 122 G HA3 -0.258 3.702 3.960 -0.001 0.000 0.257 122 G C -0.225 174.664 174.900 -0.018 0.000 1.042 122 G CA 0.044 45.134 45.100 -0.016 0.000 0.791 122 G HN 0.222 nan 8.290 nan 0.000 0.502 123 L N 0.429 121.636 121.223 -0.027 0.000 2.370 123 L HA 0.593 4.932 4.340 -0.001 0.000 0.266 123 L C -1.998 174.841 176.870 -0.051 0.000 1.002 123 L CA -2.630 52.193 54.840 -0.029 0.000 0.818 123 L CB 2.807 44.849 42.059 -0.028 0.000 1.325 123 L HN -0.080 nan 8.230 nan 0.000 0.418 124 P HA 0.070 nan 4.420 nan 0.000 0.274 124 P C 0.865 178.057 177.300 -0.180 0.000 1.231 124 P CA -0.339 62.713 63.100 -0.081 0.000 0.790 124 P CB 1.545 33.281 31.700 0.061 0.000 0.951 125 V N 2.024 121.661 119.914 -0.463 0.000 2.380 125 V HA -0.293 3.826 4.120 -0.001 0.000 0.251 125 V C 2.757 178.750 176.094 -0.169 0.000 1.063 125 V CA 2.978 65.040 62.300 -0.397 0.000 1.055 125 V CB -1.732 29.723 31.823 -0.612 0.000 0.657 125 V HN 0.753 nan 8.190 nan 0.000 0.455 126 S N 1.123 116.826 115.700 0.004 0.000 2.383 126 S HA -0.225 4.245 4.470 -0.001 0.000 0.229 126 S C 2.059 176.685 174.600 0.043 0.000 1.030 126 S CA 1.517 59.792 58.200 0.125 0.000 1.002 126 S CB -0.615 62.724 63.200 0.232 0.000 0.829 126 S HN 0.638 nan 8.310 nan 0.000 0.467 127 A N 1.272 124.103 122.820 0.018 0.000 1.968 127 A HA 0.220 4.540 4.320 -0.001 0.000 0.217 127 A C 2.145 179.724 177.584 -0.009 0.000 1.169 127 A CA 1.054 53.094 52.037 0.005 0.000 0.638 127 A CB -0.659 18.341 19.000 -0.000 0.000 0.812 127 A HN 0.451 nan 8.150 nan 0.000 0.446 128 L N -0.407 120.798 121.223 -0.030 0.000 2.141 128 L HA -0.009 4.330 4.340 -0.001 0.000 0.209 128 L C 1.780 178.638 176.870 -0.020 0.000 1.094 128 L CA 1.343 56.163 54.840 -0.033 0.000 0.763 128 L CB -0.576 41.448 42.059 -0.058 0.000 0.908 128 L HN 0.375 nan 8.230 nan 0.000 0.437 129 L N -1.332 119.884 121.223 -0.013 0.000 2.653 129 L HA 0.273 4.612 4.340 -0.001 0.000 0.232 129 L C 1.356 178.234 176.870 0.014 0.000 1.169 129 L CA 0.541 55.382 54.840 0.001 0.000 0.951 129 L CB -0.587 41.477 42.059 0.007 0.000 1.181 129 L HN 0.454 nan 8.230 nan 0.000 0.460 130 G N -0.585 108.222 108.800 0.010 0.000 2.213 130 G HA2 -0.080 3.880 3.960 -0.001 0.000 0.226 130 G HA3 -0.080 3.880 3.960 -0.001 0.000 0.226 130 G C 0.509 175.419 174.900 0.017 0.000 0.992 130 G CA -0.272 44.837 45.100 0.014 0.000 0.632 130 G HN 0.863 nan 8.290 nan 0.000 0.511 131 G N -1.058 107.756 108.800 0.023 0.000 2.697 131 G HA2 0.550 4.510 3.960 -0.001 0.000 0.684 131 G HA3 0.550 4.510 3.960 -0.001 0.000 0.684 131 G C -0.152 174.768 174.900 0.034 0.000 1.274 131 G CA 0.796 45.911 45.100 0.025 0.000 0.806 131 G HN 2.110 nan 8.290 nan 0.000 0.644 132 A N 0.978 123.819 122.820 0.035 0.000 2.331 132 A HA 0.724 5.043 4.320 -0.001 0.000 0.283 132 A C 1.242 178.841 177.584 0.025 0.000 1.142 132 A CA -0.247 51.811 52.037 0.035 0.000 0.812 132 A CB 0.881 19.899 19.000 0.030 0.000 1.074 132 A HN 1.308 nan 8.150 nan 0.000 0.497 133 L N 0.562 121.802 121.223 0.027 0.000 2.240 133 L HA 0.065 4.405 4.340 -0.001 0.000 0.211 133 L C 1.291 178.168 176.870 0.011 0.000 1.106 133 L CA 1.725 56.576 54.840 0.019 0.000 0.793 133 L CB -0.702 41.371 42.059 0.023 0.000 0.927 133 L HN 0.893 nan 8.230 nan 0.000 0.446 134 Q N -3.691 116.116 119.800 0.011 0.000 2.435 134 Q HA 0.255 4.595 4.340 -0.001 0.000 0.282 134 Q C -0.253 175.742 176.000 -0.008 0.000 1.020 134 Q CA -0.275 55.528 55.803 0.001 0.000 0.820 134 Q CB 1.234 29.973 28.738 0.001 0.000 1.436 134 Q HN -0.192 nan 8.270 nan 0.000 0.395 135 T N -0.656 113.886 114.554 -0.019 0.000 3.085 135 T HA 0.523 4.873 4.350 -0.001 0.000 0.264 135 T C -0.573 174.094 174.700 -0.054 0.000 1.019 135 T CA 0.511 62.588 62.100 -0.038 0.000 0.910 135 T CB 0.061 68.910 68.868 -0.031 0.000 1.059 135 T HN 0.636 nan 8.240 nan 0.000 0.542 136 A N 1.925 124.722 122.820 -0.039 0.000 2.381 136 A HA 0.717 5.037 4.320 -0.001 0.000 0.299 136 A C -1.284 176.287 177.584 -0.021 0.000 1.049 136 A CA -0.648 51.363 52.037 -0.042 0.000 0.715 136 A CB 1.033 20.014 19.000 -0.031 0.000 1.222 136 A HN 0.324 nan 8.150 nan 0.000 0.428 137 L N 2.364 123.576 121.223 -0.017 0.000 2.342 137 L HA 0.556 4.896 4.340 -0.001 0.000 0.271 137 L C -2.574 174.321 176.870 0.042 0.000 1.008 137 L CA -2.012 52.840 54.840 0.020 0.000 0.818 137 L CB 1.453 43.539 42.059 0.046 0.000 1.296 137 L HN 0.378 nan 8.230 nan 0.000 0.427 138 P HA 0.216 nan 4.420 nan 0.000 0.271 138 P C -0.861 176.505 177.300 0.110 0.000 1.216 138 P CA -0.151 62.989 63.100 0.067 0.000 0.771 138 P CB 0.900 32.630 31.700 0.049 0.000 0.864 139 V N 4.160 124.165 119.914 0.151 0.000 2.524 139 V HA 0.241 4.361 4.120 -0.001 0.000 0.297 139 V C 0.190 176.410 176.094 0.211 0.000 1.035 139 V CA -0.780 61.660 62.300 0.233 0.000 0.867 139 V CB 1.251 33.299 31.823 0.375 0.000 1.004 139 V HN 0.361 nan 8.190 nan 0.000 0.426 140 L N 1.749 123.105 121.223 0.221 0.000 2.490 140 L HA 0.690 5.030 4.340 -0.001 0.000 0.245 140 L C -0.372 176.622 176.870 0.206 0.000 1.185 140 L CA -0.365 54.560 54.840 0.141 0.000 0.813 140 L CB 0.591 42.741 42.059 0.152 0.000 1.233 140 L HN 0.732 nan 8.230 nan 0.000 0.489 141 W N 0.121 121.312 121.300 -0.180 0.000 2.785 141 W HA 0.522 5.181 4.660 -0.000 0.000 0.333 141 W C -1.381 175.013 176.519 -0.209 0.000 1.062 141 W CA -0.630 56.516 57.345 -0.332 0.000 1.233 141 W CB 2.259 31.630 29.460 -0.148 0.000 1.413 141 W HN 0.575 nan 8.180 nan 0.000 0.489 142 T N 6.083 119.901 114.554 -1.226 0.000 2.799 142 T HA 0.444 4.793 4.350 -0.001 0.000 0.286 142 T C -0.101 174.257 174.700 -0.570 0.000 0.973 142 T CA -0.338 61.372 62.100 -0.650 0.000 1.035 142 T CB 0.870 69.450 68.868 -0.479 0.000 0.932 142 T HN 0.221 nan 8.240 nan 0.000 0.469 143 L N 2.948 124.076 121.223 -0.159 0.000 2.276 143 L HA 0.649 4.989 4.340 -0.001 0.000 0.286 143 L C 0.515 177.369 176.870 -0.026 0.000 1.024 143 L CA -0.684 54.127 54.840 -0.047 0.000 0.826 143 L CB 1.035 43.103 42.059 0.016 0.000 1.211 143 L HN 0.793 nan 8.230 nan 0.000 0.422 144 A N 1.013 123.807 122.820 -0.043 0.000 2.579 144 A HA 0.166 4.486 4.320 -0.001 0.000 0.254 144 A C 1.212 178.786 177.584 -0.016 0.000 0.873 144 A CA 0.162 52.182 52.037 -0.029 0.000 1.106 144 A CB 0.177 19.138 19.000 -0.066 0.000 1.222 144 A HN 0.668 nan 8.150 nan 0.000 0.470 145 S N -1.065 114.643 115.700 0.013 0.000 2.447 145 S HA 0.270 4.740 4.470 -0.001 0.000 0.233 145 S C 1.705 176.303 174.600 -0.004 0.000 1.006 145 S CA 1.464 59.674 58.200 0.016 0.000 0.957 145 S CB -0.199 63.025 63.200 0.039 0.000 0.773 145 S HN 2.116 nan 8.310 nan 0.000 0.507 146 G N 0.495 109.276 108.800 -0.032 0.000 2.195 146 G HA2 -0.250 3.710 3.960 -0.001 0.000 0.246 146 G HA3 -0.250 3.710 3.960 -0.001 0.000 0.246 146 G C -0.251 174.593 174.900 -0.094 0.000 0.984 146 G CA 0.208 45.252 45.100 -0.094 0.000 0.633 146 G HN 0.743 nan 8.290 nan 0.000 0.525 147 D N -0.653 119.746 120.400 -0.001 0.000 2.492 147 D HA 0.648 5.288 4.640 -0.001 0.000 0.248 147 D C 1.595 177.991 176.300 0.160 0.000 1.101 147 D CA 0.319 54.348 54.000 0.048 0.000 0.840 147 D CB 1.070 41.892 40.800 0.036 0.000 1.209 147 D HN -0.074 nan 8.370 nan 0.000 0.524 148 T N 2.084 116.781 114.554 0.239 0.000 2.699 148 T HA -0.194 4.156 4.350 -0.001 0.000 0.268 148 T C 1.870 176.609 174.700 0.066 0.000 1.036 148 T CA 1.546 63.782 62.100 0.228 0.000 1.147 148 T CB -0.192 68.796 68.868 0.199 0.000 0.862 148 T HN 0.547 nan 8.240 nan 0.000 0.446 149 A N 1.795 124.646 122.820 0.052 0.000 1.877 149 A HA -0.132 4.187 4.320 -0.001 0.000 0.216 149 A C 2.280 179.871 177.584 0.012 0.000 1.186 149 A CA 1.638 53.686 52.037 0.018 0.000 0.620 149 A CB -0.450 18.561 19.000 0.018 0.000 0.822 149 A HN 0.482 nan 8.150 nan 0.000 0.443 150 K N -0.425 119.993 120.400 0.029 0.000 2.057 150 K HA -0.139 4.180 4.320 -0.001 0.000 0.207 150 K C 1.544 178.158 176.600 0.023 0.000 1.049 150 K CA 1.418 57.721 56.287 0.027 0.000 0.931 150 K CB -0.247 32.275 32.500 0.037 0.000 0.714 150 K HN 0.390 nan 8.250 nan 0.000 0.440 151 D N 1.027 121.448 120.400 0.035 0.000 2.117 151 D HA -0.119 4.521 4.640 -0.001 0.000 0.197 151 D C 1.898 178.148 176.300 -0.083 0.000 0.987 151 D CA 1.031 55.033 54.000 0.003 0.000 0.829 151 D CB -0.150 40.670 40.800 0.033 0.000 0.961 151 D HN 0.167 nan 8.370 nan 0.000 0.460 152 I N 1.088 121.604 120.570 -0.090 0.000 2.226 152 I HA -0.243 3.927 4.170 -0.001 0.000 0.245 152 I C 2.476 178.531 176.117 -0.103 0.000 1.100 152 I CA 0.880 62.104 61.300 -0.126 0.000 1.374 152 I CB -0.207 37.736 38.000 -0.094 0.000 1.057 152 I HN -0.081 nan 8.210 nan 0.000 0.413 153 A N 0.449 123.234 122.820 -0.058 0.000 1.883 153 A HA -0.296 4.023 4.320 -0.001 0.000 0.217 153 A C 2.310 179.864 177.584 -0.050 0.000 1.186 153 A CA 2.173 54.185 52.037 -0.042 0.000 0.624 153 A CB -0.706 18.282 19.000 -0.019 0.000 0.822 153 A HN 0.492 nan 8.150 nan 0.000 0.444 154 E N -0.789 119.389 120.200 -0.037 0.000 2.106 154 E HA -0.083 4.266 4.350 -0.001 0.000 0.192 154 E C 2.033 178.587 176.600 -0.076 0.000 0.984 154 E CA 0.925 57.309 56.400 -0.026 0.000 0.806 154 E CB -0.394 29.351 29.700 0.075 0.000 0.750 154 E HN 0.528 nan 8.360 nan 0.000 0.458 155 G N 0.829 109.522 108.800 -0.178 0.000 2.402 155 G HA2 -0.245 3.715 3.960 -0.001 0.000 0.216 155 G HA3 -0.245 3.715 3.960 -0.001 0.000 0.216 155 G C 1.403 176.204 174.900 -0.165 0.000 1.162 155 G CA 0.547 45.401 45.100 -0.410 0.000 0.777 155 G HN 0.162 nan 8.290 nan 0.000 0.539 156 E N 1.327 121.457 120.200 -0.117 0.000 2.038 156 E HA -0.153 4.196 4.350 -0.001 0.000 0.195 156 E C 2.244 178.834 176.600 -0.017 0.000 1.000 156 E CA 1.352 57.722 56.400 -0.050 0.000 0.803 156 E CB -0.389 29.282 29.700 -0.048 0.000 0.750 156 E HN 0.718 nan 8.360 nan 0.000 0.448 157 K N 0.648 121.027 120.400 -0.035 0.000 2.743 157 K HA 0.034 4.354 4.320 -0.001 0.000 0.219 157 K C 0.692 177.265 176.600 -0.045 0.000 1.003 157 K CA 0.309 56.573 56.287 -0.038 0.000 1.156 157 K CB 0.147 32.615 32.500 -0.053 0.000 0.932 157 K HN -0.029 nan 8.250 nan 0.000 0.490 158 L N -0.150 121.077 121.223 0.007 0.000 3.174 158 L HA 0.247 4.587 4.340 -0.001 0.000 0.283 158 L C 0.903 177.826 176.870 0.089 0.000 1.187 158 L CA 0.326 55.181 54.840 0.024 0.000 1.018 158 L CB 0.630 42.733 42.059 0.073 0.000 1.433 158 L HN 0.214 nan 8.230 nan 0.000 0.593 159 L N -0.762 120.525 121.223 0.106 0.000 2.906 159 L HA 0.464 4.804 4.340 -0.001 0.000 0.255 159 L C 1.251 178.149 176.870 0.047 0.000 1.166 159 L CA -0.278 54.622 54.840 0.101 0.000 0.977 159 L CB 0.226 42.376 42.059 0.152 0.000 1.313 159 L HN 0.156 nan 8.230 nan 0.000 0.549 166 A N 0.624 123.189 122.820 -0.424 0.000 2.486 166 A HA 0.766 5.086 4.320 -0.001 0.000 0.300 166 A C -1.523 175.735 177.584 -0.542 0.000 1.048 166 A CA -0.371 51.492 52.037 -0.289 0.000 0.696 166 A CB 1.015 19.988 19.000 -0.046 0.000 1.278 166 A HN 0.089 nan 8.150 nan 0.000 0.405 167 F N 0.705 120.720 119.950 0.108 0.000 2.556 167 F HA 0.585 5.112 4.527 -0.001 0.000 0.314 167 F C 0.204 176.040 175.800 0.060 0.000 1.106 167 F CA -0.516 57.538 58.000 0.090 0.000 0.911 167 F CB 2.615 41.660 39.000 0.076 0.000 1.190 167 F HN 0.557 nan 8.300 nan 0.000 0.448 168 K N 4.544 125.074 120.400 0.216 0.000 2.339 168 K HA 0.622 4.942 4.320 -0.001 0.000 0.264 168 K C -1.622 175.022 176.600 0.073 0.000 0.986 168 K CA -0.395 55.962 56.287 0.116 0.000 0.866 168 K CB 0.735 33.302 32.500 0.113 0.000 1.103 168 K HN 0.712 nan 8.250 nan 0.000 0.441 169 L N 4.605 125.863 121.223 0.059 0.000 2.264 169 L HA 0.385 4.724 4.340 -0.001 0.000 0.289 169 L C 0.206 177.090 176.870 0.023 0.000 1.044 169 L CA -1.007 53.865 54.840 0.053 0.000 0.807 169 L CB 1.082 43.181 42.059 0.066 0.000 1.192 169 L HN 0.419 nan 8.230 nan 0.000 0.425 170 K N 5.517 125.926 120.400 0.013 0.000 2.297 170 K HA 0.567 4.887 4.320 -0.001 0.000 0.286 170 K C -0.289 176.295 176.600 -0.027 0.000 1.053 170 K CA -0.103 56.167 56.287 -0.030 0.000 0.940 170 K CB 1.498 33.971 32.500 -0.045 0.000 1.019 170 K HN 0.632 nan 8.250 nan 0.000 0.475 171 I N -3.097 117.426 120.570 -0.078 0.000 3.467 171 I HA 0.691 4.861 4.170 -0.001 0.000 0.314 171 I C 0.633 176.658 176.117 -0.153 0.000 1.177 171 I CA -0.850 60.404 61.300 -0.077 0.000 0.943 171 I CB 2.107 40.099 38.000 -0.012 0.000 1.338 171 I HN 0.572 nan 8.210 nan 0.000 0.482 172 G N 0.486 109.235 108.800 -0.085 0.000 2.184 172 G HA2 -0.123 3.837 3.960 -0.001 0.000 0.206 172 G HA3 -0.123 3.837 3.960 -0.001 0.000 0.206 172 G C 0.537 175.449 174.900 0.019 0.000 0.995 172 G CA 0.390 45.431 45.100 -0.098 0.000 0.651 172 G HN 1.354 nan 8.290 nan 0.000 0.511 173 A N -0.685 122.145 122.820 0.017 0.000 2.197 173 A HA 0.597 4.917 4.320 -0.001 0.000 0.210 173 A C 1.569 179.174 177.584 0.035 0.000 1.180 173 A CA 0.884 52.934 52.037 0.021 0.000 0.846 173 A CB 0.196 19.194 19.000 -0.004 0.000 0.884 173 A HN 0.288 nan 8.150 nan 0.000 0.487 174 R N 0.192 120.722 120.500 0.050 0.000 2.981 174 R HA 0.524 4.864 4.340 -0.001 0.000 0.228 174 R C -0.887 175.465 176.300 0.088 0.000 1.421 174 R CA -0.739 55.390 56.100 0.048 0.000 1.073 174 R CB -0.292 30.019 30.300 0.020 0.000 1.568 174 R HN 0.197 nan 8.270 nan 0.000 0.514 175 E N 0.930 121.167 120.200 0.062 0.000 2.373 175 E HA -0.004 4.346 4.350 -0.001 0.000 0.267 175 E C 1.026 177.669 176.600 0.072 0.000 1.032 175 E CA -0.227 56.206 56.400 0.056 0.000 0.889 175 E CB 0.401 30.117 29.700 0.027 0.000 0.984 175 E HN 0.311 nan 8.360 nan 0.000 0.425 176 L N 3.404 124.652 121.223 0.041 0.000 2.034 176 L HA -0.319 4.021 4.340 -0.001 0.000 0.217 176 L C 1.865 178.752 176.870 0.029 0.000 1.077 176 L CA 2.702 57.548 54.840 0.009 0.000 0.769 176 L CB -0.897 41.053 42.059 -0.182 0.000 0.890 176 L HN 0.719 nan 8.230 nan 0.000 0.435 177 A N -1.621 121.203 122.820 0.006 0.000 1.883 177 A HA -0.294 4.025 4.320 -0.001 0.000 0.217 177 A C 2.471 180.082 177.584 0.045 0.000 1.186 177 A CA 2.815 54.861 52.037 0.015 0.000 0.624 177 A CB -1.455 17.547 19.000 0.003 0.000 0.822 177 A HN 0.646 nan 8.150 nan 0.000 0.444 178 T N -1.829 112.756 114.554 0.052 0.000 2.821 178 T HA -0.138 4.212 4.350 -0.001 0.000 0.267 178 T C 1.481 176.242 174.700 0.102 0.000 1.046 178 T CA 1.798 63.936 62.100 0.063 0.000 1.139 178 T CB -0.482 68.411 68.868 0.042 0.000 0.871 178 T HN 0.353 nan 8.240 nan 0.000 0.454 179 D N 0.877 121.350 120.400 0.121 0.000 2.144 179 D HA 0.044 4.684 4.640 -0.001 0.000 0.200 179 D C 2.132 178.559 176.300 0.212 0.000 0.978 179 D CA 0.741 54.846 54.000 0.175 0.000 0.833 179 D CB -0.227 40.713 40.800 0.232 0.000 0.961 179 D HN 0.424 nan 8.370 nan 0.000 0.470 180 L N 0.078 121.399 121.223 0.164 0.000 2.109 180 L HA -0.045 4.295 4.340 -0.001 0.000 0.207 180 L C 2.581 179.512 176.870 0.102 0.000 1.086 180 L CA 0.707 55.626 54.840 0.131 0.000 0.760 180 L CB -0.226 41.881 42.059 0.081 0.000 0.910 180 L HN -0.071 nan 8.230 nan 0.000 0.437 181 R N -0.747 119.810 120.500 0.095 0.000 2.115 181 R HA -0.203 4.136 4.340 -0.001 0.000 0.230 181 R C 2.376 178.730 176.300 0.089 0.000 1.111 181 R CA 1.245 57.388 56.100 0.073 0.000 0.976 181 R CB -0.137 30.200 30.300 0.062 0.000 0.870 181 R HN 0.368 nan 8.270 nan 0.000 0.445 182 H N -0.689 118.400 119.070 0.032 0.000 2.326 182 H HA -0.074 4.482 4.556 -0.001 0.000 0.301 182 H C 2.003 177.343 175.328 0.020 0.000 1.081 182 H CA 2.322 58.384 56.048 0.023 0.000 1.334 182 H CB -0.304 29.475 29.762 0.028 0.000 1.385 182 H HN 0.096 nan 8.280 nan 0.000 0.504 183 T N -0.555 114.006 114.554 0.013 0.000 2.904 183 T HA -0.114 4.236 4.350 -0.001 0.000 0.267 183 T C 2.179 176.850 174.700 -0.047 0.000 1.059 183 T CA 1.319 63.391 62.100 -0.045 0.000 1.137 183 T CB -0.316 68.595 68.868 0.072 0.000 0.879 183 T HN 0.382 nan 8.240 nan 0.000 0.467 184 R N -0.003 120.492 120.500 -0.009 0.000 2.075 184 R HA 0.052 4.392 4.340 -0.001 0.000 0.232 184 R C 2.592 178.871 176.300 -0.035 0.000 1.126 184 R CA 1.323 57.419 56.100 -0.007 0.000 0.963 184 R CB -0.549 29.758 30.300 0.012 0.000 0.858 184 R HN 0.440 nan 8.270 nan 0.000 0.435 185 A N 0.902 123.687 122.820 -0.059 0.000 1.933 185 A HA -0.113 4.206 4.320 -0.001 0.000 0.218 185 A C 2.093 179.612 177.584 -0.108 0.000 1.175 185 A CA 1.222 53.215 52.037 -0.073 0.000 0.628 185 A CB -0.379 18.577 19.000 -0.073 0.000 0.814 185 A HN 0.343 nan 8.150 nan 0.000 0.444 186 I N -0.625 119.843 120.570 -0.170 0.000 2.353 186 I HA -0.149 4.021 4.170 -0.001 0.000 0.248 186 I C 2.215 178.273 176.117 -0.098 0.000 1.119 186 I CA 0.695 61.889 61.300 -0.176 0.000 1.417 186 I CB -0.199 37.647 38.000 -0.256 0.000 1.078 186 I HN 0.125 nan 8.210 nan 0.000 0.421 187 V N 0.675 120.554 119.914 -0.059 0.000 2.407 187 V HA -0.258 3.862 4.120 -0.001 0.000 0.248 187 V C 2.422 178.510 176.094 -0.010 0.000 1.055 187 V CA 1.765 64.058 62.300 -0.012 0.000 1.049 187 V CB -0.518 31.308 31.823 0.005 0.000 0.662 187 V HN 0.351 nan 8.190 nan 0.000 0.455 188 E N 0.388 120.574 120.200 -0.023 0.000 2.031 188 E HA -0.144 4.206 4.350 -0.001 0.000 0.193 188 E C 2.264 178.852 176.600 -0.021 0.000 0.994 188 E CA 1.640 58.030 56.400 -0.017 0.000 0.800 188 E CB -0.611 29.077 29.700 -0.020 0.000 0.752 188 E HN 0.520 nan 8.360 nan 0.000 0.447 189 A N 0.385 123.180 122.820 -0.041 0.000 1.851 189 A HA -0.118 4.201 4.320 -0.001 0.000 0.216 189 A C 1.112 178.675 177.584 -0.035 0.000 1.195 189 A CA 1.119 53.128 52.037 -0.047 0.000 0.622 189 A CB -0.492 18.461 19.000 -0.078 0.000 0.831 189 A HN 0.238 nan 8.150 nan 0.000 0.444 190 L N 1.005 122.201 121.223 -0.045 0.000 2.873 190 L HA 0.191 4.531 4.340 -0.001 0.000 0.236 190 L C 1.678 178.579 176.870 0.052 0.000 1.375 190 L CA 0.505 55.349 54.840 0.007 0.000 1.239 190 L CB -1.912 40.132 42.059 -0.025 0.000 1.603 190 L HN 0.422 nan 8.230 nan 0.000 0.430 191 G N 1.153 109.972 108.800 0.032 0.000 2.768 191 G HA2 -0.231 3.729 3.960 -0.001 0.000 0.181 191 G HA3 -0.231 3.729 3.960 -0.001 0.000 0.181 191 G C 0.520 175.450 174.900 0.051 0.000 1.477 191 G CA 0.329 45.450 45.100 0.035 0.000 0.826 191 G HN 0.428 nan 8.290 nan 0.000 0.600 192 D N 0.321 120.745 120.400 0.041 0.000 2.323 192 D HA 0.102 4.742 4.640 -0.001 0.000 0.239 192 D C 1.788 178.116 176.300 0.047 0.000 1.129 192 D CA 0.106 54.131 54.000 0.041 0.000 0.865 192 D CB 0.056 40.873 40.800 0.029 0.000 0.913 192 D HN 0.580 nan 8.370 nan 0.000 0.517 193 R N -0.738 119.801 120.500 0.065 0.000 2.596 193 R HA 0.664 5.004 4.340 -0.001 0.000 0.369 193 R C -0.116 176.243 176.300 0.097 0.000 1.042 193 R CA -0.462 55.679 56.100 0.069 0.000 1.120 193 R CB 0.659 30.999 30.300 0.066 0.000 1.353 193 R HN -0.055 nan 8.270 nan 0.000 0.564 194 A N 0.391 123.279 122.820 0.114 0.000 2.594 194 A HA 0.401 4.720 4.320 -0.001 0.000 0.296 194 A C -1.170 176.494 177.584 0.132 0.000 1.056 194 A CA -0.638 51.478 52.037 0.133 0.000 0.693 194 A CB 1.674 20.855 19.000 0.302 0.000 1.278 194 A HN 0.109 nan 8.150 nan 0.000 0.408 195 S N 1.656 117.414 115.700 0.097 0.000 2.505 195 S HA 0.545 5.015 4.470 -0.001 0.000 0.276 195 S C -0.153 174.541 174.600 0.157 0.000 1.274 195 S CA -0.322 57.948 58.200 0.116 0.000 1.053 195 S CB -0.308 62.958 63.200 0.110 0.000 0.919 195 S HN 0.490 nan 8.310 nan 0.000 0.490 196 I N 5.457 126.117 120.570 0.150 0.000 2.330 196 I HA 0.471 4.641 4.170 -0.001 0.000 0.289 196 I C 0.185 176.365 176.117 0.105 0.000 1.001 196 I CA -0.478 60.911 61.300 0.149 0.000 1.193 196 I CB 1.197 39.266 38.000 0.116 0.000 1.345 196 I HN 0.652 nan 8.210 nan 0.000 0.461 197 R N 4.291 124.847 120.500 0.092 0.000 2.854 197 R HA 0.841 5.181 4.340 -0.001 0.000 0.271 197 R C -0.658 175.648 176.300 0.011 0.000 0.996 197 R CA -0.795 55.318 56.100 0.022 0.000 0.961 197 R CB 2.327 32.616 30.300 -0.018 0.000 1.182 197 R HN 0.473 nan 8.270 nan 0.000 0.479 198 V N -2.184 117.707 119.914 -0.038 0.000 3.001 198 V HA 0.724 4.844 4.120 -0.001 0.000 0.314 198 V C -1.269 174.762 176.094 -0.105 0.000 1.099 198 V CA -0.768 61.504 62.300 -0.047 0.000 0.989 198 V CB 2.308 34.111 31.823 -0.034 0.000 1.040 198 V HN 0.698 nan 8.190 nan 0.000 0.434 199 D N 1.355 121.685 120.400 -0.117 0.000 2.620 199 D HA 0.542 5.182 4.640 -0.001 0.000 0.252 199 D C 0.156 176.326 176.300 -0.217 0.000 1.207 199 D CA -0.291 53.620 54.000 -0.148 0.000 0.884 199 D CB 2.177 42.922 40.800 -0.090 0.000 1.262 199 D HN 0.363 nan 8.370 nan 0.000 0.552 200 V N 3.163 122.885 119.914 -0.321 0.000 3.590 200 V HA 0.073 4.193 4.120 -0.001 0.000 0.265 200 V C 0.989 176.901 176.094 -0.303 0.000 1.239 200 V CA 0.170 62.177 62.300 -0.488 0.000 1.117 200 V CB -1.274 30.005 31.823 -0.905 0.000 0.818 200 V HN 0.812 nan 8.190 nan 0.000 0.451 201 N N 1.769 120.355 118.700 -0.190 0.000 2.699 201 N HA -0.305 4.435 4.740 -0.001 0.000 0.256 201 N C 0.645 176.103 175.510 -0.085 0.000 0.993 201 N CA 1.131 54.122 53.050 -0.099 0.000 0.759 201 N CB -1.066 37.397 38.487 -0.040 0.000 0.906 201 N HN 0.765 nan 8.380 nan 0.000 0.541 202 Q N -3.917 115.817 119.800 -0.109 0.000 2.362 202 Q HA -0.328 4.011 4.340 -0.001 0.000 0.220 202 Q C 1.102 177.074 176.000 -0.047 0.000 0.713 202 Q CA 1.223 56.984 55.803 -0.070 0.000 1.345 202 Q CB -1.880 26.822 28.738 -0.060 0.000 1.570 202 Q HN 0.661 nan 8.270 nan 0.000 0.701 203 A N -0.163 122.591 122.820 -0.109 0.000 1.969 203 A HA -0.080 4.239 4.320 -0.001 0.000 0.218 203 A C 0.471 178.143 177.584 0.146 0.000 1.169 203 A CA 0.710 52.724 52.037 -0.039 0.000 0.635 203 A CB -0.087 18.840 19.000 -0.122 0.000 0.810 203 A HN 0.394 nan 8.150 nan 0.000 0.445 204 W N 2.350 123.655 121.300 0.009 0.000 2.272 204 W HA 0.333 4.993 4.660 -0.000 0.000 0.318 204 W C -0.035 176.491 176.519 0.012 0.000 1.255 204 W CA -1.659 55.692 57.345 0.010 0.000 1.200 204 W CB 0.078 29.544 29.460 0.009 0.000 1.170 204 W HN 0.431 nan 8.180 nan 0.000 0.549 205 D N 0.600 121.134 120.400 0.224 0.000 2.377 205 D HA 0.242 4.882 4.640 -0.001 0.000 0.245 205 D C 1.036 177.397 176.300 0.102 0.000 1.196 205 D CA -0.230 53.842 54.000 0.120 0.000 0.962 205 D CB 0.910 41.749 40.800 0.065 0.000 1.127 205 D HN 0.296 nan 8.370 nan 0.000 0.471 206 A N 0.851 123.713 122.820 0.070 0.000 1.908 206 A HA -0.109 4.211 4.320 -0.001 0.000 0.218 206 A C 2.252 179.846 177.584 0.015 0.000 1.181 206 A CA 2.708 54.777 52.037 0.054 0.000 0.627 206 A CB -1.139 17.886 19.000 0.042 0.000 0.818 206 A HN 0.727 nan 8.150 nan 0.000 0.445 207 A N -1.245 121.568 122.820 -0.012 0.000 1.873 207 A HA -0.074 4.246 4.320 -0.001 0.000 0.215 207 A C 2.319 179.834 177.584 -0.115 0.000 1.186 207 A CA 2.281 54.289 52.037 -0.049 0.000 0.616 207 A CB -1.323 17.650 19.000 -0.045 0.000 0.823 207 A HN 0.428 nan 8.150 nan 0.000 0.442 208 T N -0.166 114.292 114.554 -0.160 0.000 2.788 208 T HA -0.040 4.310 4.350 -0.001 0.000 0.268 208 T C 1.932 176.322 174.700 -0.518 0.000 1.044 208 T CA 1.397 63.274 62.100 -0.371 0.000 1.139 208 T CB -0.598 68.014 68.868 -0.427 0.000 0.867 208 T HN 0.595 nan 8.240 nan 0.000 0.454 209 G N 1.146 109.834 108.800 -0.186 0.000 2.418 209 G HA2 -0.076 3.884 3.960 -0.001 0.000 0.217 209 G HA3 -0.076 3.884 3.960 -0.001 0.000 0.217 209 G C 1.821 176.708 174.900 -0.023 0.000 1.158 209 G CA 0.927 46.055 45.100 0.047 0.000 0.771 209 G HN 0.579 nan 8.290 nan 0.000 0.545 210 A N 0.621 123.413 122.820 -0.047 0.000 1.877 210 A HA 0.000 4.320 4.320 -0.001 0.000 0.216 210 A C 2.225 179.760 177.584 -0.080 0.000 1.186 210 A CA 2.140 54.157 52.037 -0.035 0.000 0.620 210 A CB -0.440 18.544 19.000 -0.028 0.000 0.822 210 A HN 0.398 nan 8.150 nan 0.000 0.443 211 K N -0.730 119.581 120.400 -0.148 0.000 2.025 211 K HA -0.089 4.231 4.320 -0.001 0.000 0.207 211 K C 2.080 178.560 176.600 -0.199 0.000 1.049 211 K CA 1.392 57.584 56.287 -0.159 0.000 0.933 211 K CB -0.561 31.830 32.500 -0.183 0.000 0.714 211 K HN 0.370 nan 8.250 nan 0.000 0.438 212 G N 0.767 109.327 108.800 -0.399 0.000 2.421 212 G HA2 -0.270 3.690 3.960 -0.001 0.000 0.216 212 G HA3 -0.270 3.690 3.960 -0.001 0.000 0.216 212 G C 1.654 176.532 174.900 -0.037 0.000 1.171 212 G CA 1.047 45.877 45.100 -0.449 0.000 0.775 212 G HN 0.438 nan 8.290 nan 0.000 0.543 213 C N 0.032 119.368 119.300 0.061 0.000 2.425 213 C HA 0.058 4.518 4.460 -0.001 0.000 0.277 213 C C 2.989 178.019 174.990 0.066 0.000 1.280 213 C CA 0.608 59.716 59.018 0.149 0.000 1.744 213 C CB -0.811 27.018 27.740 0.148 0.000 1.989 213 C HN 0.446 nan 8.230 nan 0.000 0.491 214 R N 0.588 121.099 120.500 0.018 0.000 2.081 214 R HA -0.100 4.239 4.340 -0.001 0.000 0.235 214 R C 2.205 178.513 176.300 0.013 0.000 1.131 214 R CA 1.103 57.208 56.100 0.008 0.000 0.960 214 R CB -0.282 30.012 30.300 -0.011 0.000 0.856 214 R HN 0.593 nan 8.270 nan 0.000 0.436 215 E N 0.870 121.073 120.200 0.005 0.000 2.072 215 E HA -0.160 4.189 4.350 -0.001 0.000 0.191 215 E C 2.182 178.807 176.600 0.042 0.000 0.985 215 E CA 0.928 57.336 56.400 0.014 0.000 0.801 215 E CB -0.160 29.541 29.700 0.001 0.000 0.750 215 E HN 0.342 nan 8.360 nan 0.000 0.452 216 L N 0.582 121.848 121.223 0.072 0.000 2.017 216 L HA -0.172 4.167 4.340 -0.001 0.000 0.208 216 L C 2.598 179.503 176.870 0.059 0.000 1.073 216 L CA 1.255 56.147 54.840 0.086 0.000 0.745 216 L CB -0.539 41.599 42.059 0.132 0.000 0.894 216 L HN 0.069 nan 8.230 nan 0.000 0.432 217 A N -0.072 122.778 122.820 0.050 0.000 1.902 217 A HA -0.164 4.156 4.320 -0.001 0.000 0.217 217 A C 2.517 180.120 177.584 0.031 0.000 1.181 217 A CA 1.671 53.730 52.037 0.037 0.000 0.623 217 A CB -0.738 18.279 19.000 0.029 0.000 0.818 217 A HN 0.404 nan 8.150 nan 0.000 0.443 218 A N 0.451 123.287 122.820 0.027 0.000 1.972 218 A HA -0.131 4.189 4.320 -0.001 0.000 0.219 218 A C 2.214 179.811 177.584 0.023 0.000 1.169 218 A CA 1.887 53.937 52.037 0.021 0.000 0.635 218 A CB -0.707 18.302 19.000 0.014 0.000 0.810 218 A HN 0.852 nan 8.150 nan 0.000 0.446 219 M N -3.023 116.594 119.600 0.029 0.000 2.618 219 M HA 0.404 4.884 4.480 -0.001 0.000 0.240 219 M C 1.115 177.434 176.300 0.031 0.000 1.123 219 M CA 1.109 56.425 55.300 0.028 0.000 1.060 219 M CB 0.154 32.772 32.600 0.030 0.000 1.535 219 M HN 0.667 nan 8.290 nan 0.000 0.507 220 G N 0.952 109.773 108.800 0.036 0.000 2.148 220 G HA2 -0.163 3.797 3.960 -0.001 0.000 0.203 220 G HA3 -0.163 3.797 3.960 -0.001 0.000 0.203 220 G C -0.102 174.829 174.900 0.051 0.000 0.993 220 G CA -0.120 45.005 45.100 0.041 0.000 0.661 220 G HN 0.362 nan 8.290 nan 0.000 0.518 221 V N 1.406 121.350 119.914 0.050 0.000 2.673 221 V HA 0.162 4.282 4.120 -0.001 0.000 0.303 221 V C 1.391 177.519 176.094 0.057 0.000 1.046 221 V CA 0.855 63.187 62.300 0.053 0.000 1.126 221 V CB 1.142 32.992 31.823 0.045 0.000 0.934 221 V HN 0.302 nan 8.190 nan 0.000 0.487 222 D N 2.580 123.027 120.400 0.078 0.000 2.249 222 D HA 0.133 4.772 4.640 -0.001 0.000 0.205 222 D C 0.109 176.433 176.300 0.039 0.000 0.962 222 D CA 0.808 54.886 54.000 0.130 0.000 0.860 222 D CB 0.455 41.397 40.800 0.237 0.000 0.955 222 D HN 0.294 nan 8.370 nan 0.000 0.505 223 L N 0.331 121.505 121.223 -0.082 0.000 2.526 223 L HA 0.379 4.719 4.340 -0.001 0.000 0.263 223 L C -1.832 174.916 176.870 -0.204 0.000 0.943 223 L CA -0.467 54.196 54.840 -0.296 0.000 0.859 223 L CB 2.168 43.888 42.059 -0.565 0.000 1.313 223 L HN -0.235 nan 8.230 nan 0.000 0.406 224 I N 3.628 124.083 120.570 -0.192 0.000 2.382 224 I HA 0.414 4.584 4.170 -0.001 0.000 0.285 224 I C -0.284 175.740 176.117 -0.155 0.000 1.007 224 I CA -0.490 60.736 61.300 -0.125 0.000 1.142 224 I CB 1.740 39.719 38.000 -0.035 0.000 1.289 224 I HN 0.618 nan 8.210 nan 0.000 0.453 225 E N 5.783 125.877 120.200 -0.177 0.000 2.227 225 E HA 0.111 4.461 4.350 -0.001 0.000 0.282 225 E C -0.127 176.390 176.600 -0.138 0.000 1.015 225 E CA -0.682 55.615 56.400 -0.170 0.000 0.823 225 E CB 0.830 30.418 29.700 -0.187 0.000 1.081 225 E HN 0.465 nan 8.360 nan 0.000 0.396 226 Q N 4.004 123.744 119.800 -0.099 0.000 2.398 226 Q HA -0.173 4.166 4.340 -0.001 0.000 0.367 226 Q C -1.915 174.023 176.000 -0.104 0.000 1.337 226 Q CA 0.704 56.455 55.803 -0.086 0.000 1.130 226 Q CB -0.252 28.431 28.738 -0.092 0.000 1.320 226 Q HN 0.506 nan 8.270 nan 0.000 0.352 227 P HA -0.117 nan 4.420 nan 0.000 0.218 227 P C 0.498 177.819 177.300 0.036 0.000 1.149 227 P CA 1.638 64.701 63.100 -0.062 0.000 0.817 227 P CB 0.063 31.841 31.700 0.129 0.000 0.785 228 V N -3.850 116.101 119.914 0.062 0.000 3.166 228 V HA 0.637 4.756 4.120 -0.001 0.000 0.317 228 V C 0.381 176.487 176.094 0.020 0.000 1.136 228 V CA -1.264 61.087 62.300 0.084 0.000 1.035 228 V CB 0.995 32.883 31.823 0.107 0.000 1.110 228 V HN -0.014 nan 8.190 nan 0.000 0.450 229 S N 0.422 116.140 115.700 0.029 0.000 2.573 229 S HA 0.430 4.900 4.470 -0.001 0.000 0.277 229 S C 1.331 175.899 174.600 -0.053 0.000 1.346 229 S CA 0.145 58.330 58.200 -0.024 0.000 1.034 229 S CB 0.914 64.127 63.200 0.021 0.000 0.879 229 S HN 1.772 nan 8.310 nan 0.000 0.528 230 A N 2.815 125.547 122.820 -0.147 0.000 2.209 230 A HA 0.052 4.371 4.320 -0.001 0.000 0.212 230 A C 1.470 179.010 177.584 -0.074 0.000 1.158 230 A CA 1.058 53.013 52.037 -0.136 0.000 0.742 230 A CB -0.872 18.021 19.000 -0.179 0.000 0.790 230 A HN 1.012 nan 8.150 nan 0.000 0.472 231 H N -1.818 117.245 119.070 -0.011 0.000 2.551 231 H HA 0.035 4.591 4.556 -0.000 0.000 0.266 231 H C -0.032 175.295 175.328 -0.001 0.000 0.977 231 H CA 0.511 56.554 56.048 -0.008 0.000 1.163 231 H CB 0.434 30.194 29.762 -0.004 0.000 1.381 231 H HN 0.319 nan 8.280 nan 0.000 0.581 232 D N -0.546 119.919 120.400 0.108 0.000 2.749 232 D HA 0.073 4.713 4.640 -0.001 0.000 0.338 232 D C 0.101 176.429 176.300 0.047 0.000 1.236 232 D CA -0.149 53.895 54.000 0.074 0.000 0.845 232 D CB -0.416 40.430 40.800 0.076 0.000 1.080 232 D HN 0.232 nan 8.370 nan 0.000 0.497 233 N N 0.050 118.768 118.700 0.030 0.000 2.289 233 N HA -0.145 4.594 4.740 -0.001 0.000 0.184 233 N C 1.750 177.287 175.510 0.045 0.000 1.016 233 N CA 0.783 53.841 53.050 0.013 0.000 0.872 233 N CB 0.378 38.858 38.487 -0.012 0.000 0.973 233 N HN 0.272 nan 8.380 nan 0.000 0.433 234 A N 1.340 124.188 122.820 0.046 0.000 1.908 234 A HA -0.080 4.239 4.320 -0.001 0.000 0.218 234 A C 2.338 179.960 177.584 0.062 0.000 1.181 234 A CA 1.743 53.811 52.037 0.051 0.000 0.627 234 A CB -0.710 18.314 19.000 0.040 0.000 0.818 234 A HN 0.349 nan 8.150 nan 0.000 0.445 235 A N -0.804 122.054 122.820 0.063 0.000 1.930 235 A HA 0.039 4.359 4.320 -0.001 0.000 0.217 235 A C 2.112 179.752 177.584 0.093 0.000 1.175 235 A CA 1.581 53.660 52.037 0.070 0.000 0.627 235 A CB -0.557 18.485 19.000 0.070 0.000 0.815 235 A HN 0.582 nan 8.150 nan 0.000 0.443 236 L N -0.073 121.212 121.223 0.103 0.000 2.017 236 L HA -0.120 4.220 4.340 -0.001 0.000 0.208 236 L C 2.426 179.442 176.870 0.244 0.000 1.073 236 L CA 1.824 56.757 54.840 0.155 0.000 0.745 236 L CB -0.439 41.679 42.059 0.099 0.000 0.894 236 L HN 0.166 nan 8.230 nan 0.000 0.432 237 V N -0.210 119.836 119.914 0.221 0.000 2.295 237 V HA -0.307 3.812 4.120 -0.001 0.000 0.246 237 V C 2.745 178.907 176.094 0.113 0.000 1.049 237 V CA 2.138 64.575 62.300 0.227 0.000 1.024 237 V CB -0.738 31.180 31.823 0.159 0.000 0.648 237 V HN 0.512 nan 8.190 nan 0.000 0.447 238 R N -0.183 120.368 120.500 0.085 0.000 2.083 238 R HA -0.154 4.186 4.340 -0.001 0.000 0.237 238 R C 2.317 178.642 176.300 0.042 0.000 1.137 238 R CA 1.761 57.891 56.100 0.050 0.000 0.951 238 R CB -0.343 29.984 30.300 0.045 0.000 0.851 238 R HN 0.445 nan 8.270 nan 0.000 0.434 239 L N 0.643 121.904 121.223 0.063 0.000 2.046 239 L HA -0.185 4.155 4.340 -0.001 0.000 0.208 239 L C 2.676 179.559 176.870 0.021 0.000 1.077 239 L CA 1.662 56.535 54.840 0.054 0.000 0.747 239 L CB -0.540 41.572 42.059 0.088 0.000 0.896 239 L HN 0.391 nan 8.230 nan 0.000 0.432 240 S N -0.723 114.984 115.700 0.011 0.000 2.419 240 S HA -0.233 4.237 4.470 -0.001 0.000 0.233 240 S C 1.783 176.309 174.600 -0.123 0.000 1.016 240 S CA 1.030 59.157 58.200 -0.122 0.000 0.974 240 S CB -0.282 62.699 63.200 -0.365 0.000 0.786 240 S HN 0.536 nan 8.310 nan 0.000 0.492 241 Q N 0.547 120.308 119.800 -0.065 0.000 2.424 241 Q HA 0.070 4.410 4.340 -0.001 0.000 0.204 241 Q C 2.246 178.227 176.000 -0.032 0.000 0.933 241 Q CA 0.892 56.663 55.803 -0.054 0.000 0.929 241 Q CB 0.044 28.763 28.738 -0.031 0.000 1.037 241 Q HN 0.966 nan 8.270 nan 0.000 0.511 242 Q N -0.837 118.951 119.800 -0.019 0.000 2.369 242 Q HA 0.150 4.490 4.340 -0.001 0.000 0.254 242 Q C 0.396 176.392 176.000 -0.008 0.000 0.858 242 Q CA -0.191 55.606 55.803 -0.010 0.000 0.961 242 Q CB 0.531 29.269 28.738 -0.001 0.000 1.119 242 Q HN 0.080 nan 8.270 nan 0.000 0.538 243 I N 3.393 123.959 120.570 -0.006 0.000 2.556 243 I HA 0.016 4.186 4.170 -0.001 0.000 0.284 243 I C 0.437 176.550 176.117 -0.006 0.000 1.114 243 I CA 0.268 61.569 61.300 0.001 0.000 1.418 243 I CB 0.929 38.938 38.000 0.014 0.000 1.394 243 I HN 0.311 nan 8.210 nan 0.000 0.552 244 E N 3.809 124.010 120.200 0.002 0.000 2.424 244 E HA 0.126 4.476 4.350 -0.001 0.000 0.237 244 E C 0.109 176.716 176.600 0.011 0.000 1.381 244 E CA -0.000 56.402 56.400 0.004 0.000 1.587 244 E CB 0.228 29.932 29.700 0.007 0.000 1.398 244 E HN 0.577 nan 8.360 nan 0.000 0.439 245 T N -0.719 113.838 114.554 0.004 0.000 2.749 245 T HA 0.457 4.807 4.350 -0.001 0.000 0.310 245 T C -1.496 173.190 174.700 -0.024 0.000 1.496 245 T CA -0.527 61.580 62.100 0.011 0.000 1.006 245 T CB 1.219 70.097 68.868 0.018 0.000 1.457 245 T HN 0.138 nan 8.240 nan 0.000 0.497 246 A N 2.564 125.361 122.820 -0.038 0.000 2.425 246 A HA 0.619 4.939 4.320 -0.001 0.000 0.249 246 A C -0.161 177.292 177.584 -0.218 0.000 1.084 246 A CA -0.251 51.702 52.037 -0.141 0.000 0.781 246 A CB -0.139 18.734 19.000 -0.211 0.000 1.019 246 A HN 0.606 nan 8.150 nan 0.000 0.490 247 I N 2.787 123.243 120.570 -0.190 0.000 2.441 247 I HA 0.328 4.498 4.170 -0.001 0.000 0.295 247 I C -0.364 175.726 176.117 -0.044 0.000 0.994 247 I CA -0.631 60.617 61.300 -0.086 0.000 1.144 247 I CB 1.434 39.467 38.000 0.055 0.000 1.314 247 I HN 0.493 nan 8.210 nan 0.000 0.445 248 L N 5.808 126.978 121.223 -0.088 0.000 2.325 248 L HA 0.698 5.038 4.340 -0.001 0.000 0.281 248 L C -0.335 176.526 176.870 -0.014 0.000 1.004 248 L CA -0.446 54.328 54.840 -0.109 0.000 0.823 248 L CB 1.335 43.166 42.059 -0.379 0.000 1.236 248 L HN 0.718 nan 8.230 nan 0.000 0.415 249 A N 3.693 126.530 122.820 0.029 0.000 2.301 249 A HA 0.489 4.809 4.320 -0.001 0.000 0.298 249 A C -0.026 177.493 177.584 -0.108 0.000 1.185 249 A CA -0.354 51.595 52.037 -0.146 0.000 0.830 249 A CB 0.846 19.581 19.000 -0.441 0.000 1.112 249 A HN 0.845 nan 8.150 nan 0.000 0.508 250 D N 0.897 121.228 120.400 -0.115 0.000 3.040 250 D HA 0.043 4.683 4.640 -0.001 0.000 0.221 250 D C 1.246 177.490 176.300 -0.092 0.000 1.515 250 D CA 0.410 54.367 54.000 -0.071 0.000 1.379 250 D CB -0.147 40.631 40.800 -0.036 0.000 0.992 250 D HN 0.399 nan 8.370 nan 0.000 0.234 251 E N 0.286 120.440 120.200 -0.077 0.000 2.267 251 E HA 0.010 4.360 4.350 -0.001 0.000 0.197 251 E C 1.707 178.238 176.600 -0.115 0.000 0.998 251 E CA 1.091 57.446 56.400 -0.075 0.000 0.830 251 E CB -0.319 29.338 29.700 -0.070 0.000 0.751 251 E HN 0.358 nan 8.360 nan 0.000 0.491 252 A N 0.235 122.959 122.820 -0.161 0.000 2.119 252 A HA 0.023 4.342 4.320 -0.001 0.000 0.217 252 A C 0.821 178.256 177.584 -0.248 0.000 1.153 252 A CA 0.931 52.850 52.037 -0.197 0.000 0.692 252 A CB -0.087 18.766 19.000 -0.245 0.000 0.799 252 A HN 0.136 nan 8.150 nan 0.000 0.458 253 V N -5.327 114.415 119.914 -0.286 0.000 2.524 253 V HA 0.836 4.956 4.120 -0.001 0.000 0.297 253 V C 0.077 176.050 176.094 -0.202 0.000 1.035 253 V CA -0.182 61.910 62.300 -0.346 0.000 0.867 253 V CB 0.658 32.025 31.823 -0.760 0.000 1.004 253 V HN 0.373 nan 8.190 nan 0.000 0.426 254 A N 4.055 126.808 122.820 -0.111 0.000 1.988 254 A HA 0.577 4.897 4.320 -0.001 0.000 0.198 254 A C 1.244 178.820 177.584 -0.012 0.000 1.507 254 A CA 0.971 52.987 52.037 -0.035 0.000 0.901 254 A CB 0.085 19.095 19.000 0.017 0.000 1.007 254 A HN 1.298 nan 8.150 nan 0.000 0.502 255 T N -4.239 110.320 114.554 0.007 0.000 2.937 255 T HA 0.642 4.991 4.350 -0.001 0.000 0.283 255 T C 1.152 175.837 174.700 -0.025 0.000 1.012 255 T CA 0.138 62.253 62.100 0.026 0.000 0.997 255 T CB 1.469 70.422 68.868 0.142 0.000 1.136 255 T HN 0.678 nan 8.240 nan 0.000 0.551 256 A N -0.323 122.427 122.820 -0.117 0.000 1.972 256 A HA 0.059 4.378 4.320 -0.001 0.000 0.219 256 A C 1.965 179.486 177.584 -0.106 0.000 1.169 256 A CA 1.107 53.057 52.037 -0.144 0.000 0.635 256 A CB -1.399 17.444 19.000 -0.260 0.000 0.810 256 A HN 0.892 nan 8.150 nan 0.000 0.446 257 Y N 0.677 121.018 120.300 0.067 0.000 2.145 257 Y HA -0.223 4.327 4.550 -0.001 0.000 0.286 257 Y C 2.334 178.290 175.900 0.093 0.000 1.145 257 Y CA 1.262 59.418 58.100 0.093 0.000 1.148 257 Y CB -0.311 38.183 38.460 0.056 0.000 0.981 257 Y HN 0.281 nan 8.280 nan 0.000 0.507 258 D N -0.410 120.090 120.400 0.167 0.000 2.117 258 D HA -0.152 4.487 4.640 -0.001 0.000 0.197 258 D C 2.387 178.657 176.300 -0.049 0.000 0.987 258 D CA 1.502 55.518 54.000 0.028 0.000 0.829 258 D CB -0.913 39.851 40.800 -0.060 0.000 0.961 258 D HN 0.452 nan 8.370 nan 0.000 0.460 259 G N -0.074 108.690 108.800 -0.060 0.000 2.440 259 G HA2 -0.322 3.638 3.960 -0.001 0.000 0.218 259 G HA3 -0.322 3.638 3.960 -0.001 0.000 0.218 259 G C 1.603 176.624 174.900 0.202 0.000 1.154 259 G CA 0.847 45.938 45.100 -0.016 0.000 0.767 259 G HN 0.314 nan 8.290 nan 0.000 0.552 260 Y N 1.114 121.476 120.300 0.104 0.000 2.163 260 Y HA -0.086 4.463 4.550 -0.000 0.000 0.288 260 Y C 3.014 178.982 175.900 0.114 0.000 1.136 260 Y CA 2.118 60.287 58.100 0.114 0.000 1.147 260 Y CB -0.453 38.057 38.460 0.084 0.000 0.987 260 Y HN 0.295 nan 8.280 nan 0.000 0.509 261 Q N 0.128 119.875 119.800 -0.088 0.000 2.045 261 Q HA -0.238 4.102 4.340 -0.001 0.000 0.206 261 Q C 2.438 178.358 176.000 -0.133 0.000 0.991 261 Q CA 2.119 57.839 55.803 -0.139 0.000 0.851 261 Q CB -0.435 28.325 28.738 0.038 0.000 0.911 261 Q HN 0.543 nan 8.270 nan 0.000 0.418 262 L N -0.052 121.136 121.223 -0.058 0.000 2.046 262 L HA -0.198 4.142 4.340 -0.001 0.000 0.208 262 L C 2.291 179.223 176.870 0.103 0.000 1.077 262 L CA 1.216 56.052 54.840 -0.006 0.000 0.747 262 L CB -0.461 41.541 42.059 -0.095 0.000 0.896 262 L HN 0.267 nan 8.230 nan 0.000 0.432 263 A N -0.921 121.970 122.820 0.119 0.000 1.898 263 A HA -0.266 4.054 4.320 -0.001 0.000 0.216 263 A C 2.165 179.733 177.584 -0.027 0.000 1.181 263 A CA 1.555 53.665 52.037 0.121 0.000 0.620 263 A CB -0.652 18.417 19.000 0.116 0.000 0.819 263 A HN 0.521 nan 8.150 nan 0.000 0.442 264 Q N -0.124 119.537 119.800 -0.231 0.000 2.181 264 Q HA -0.245 4.094 4.340 -0.001 0.000 0.205 264 Q C 1.958 177.902 176.000 -0.094 0.000 0.980 264 Q CA 2.123 57.776 55.803 -0.250 0.000 0.862 264 Q CB -0.295 28.114 28.738 -0.549 0.000 0.905 264 Q HN 0.808 nan 8.270 nan 0.000 0.429 265 Q N -1.259 118.508 119.800 -0.054 0.000 2.369 265 Q HA -0.038 4.301 4.340 -0.001 0.000 0.206 265 Q C 0.505 176.528 176.000 0.039 0.000 0.963 265 Q CA 0.934 56.739 55.803 0.005 0.000 0.894 265 Q CB 0.123 28.875 28.738 0.025 0.000 0.965 265 Q HN 0.654 nan 8.270 nan 0.000 0.475 266 G N -0.136 108.697 108.800 0.055 0.000 2.175 266 G HA2 -0.255 3.704 3.960 -0.001 0.000 0.182 266 G HA3 -0.255 3.704 3.960 -0.001 0.000 0.182 266 G C -0.283 174.663 174.900 0.077 0.000 1.003 266 G CA -0.198 44.932 45.100 0.049 0.000 0.666 266 G HN 0.343 nan 8.290 nan 0.000 0.506 267 F N 2.484 122.439 119.950 0.009 0.000 2.538 267 F HA 0.583 5.110 4.527 -0.001 0.000 0.371 267 F C 0.538 176.340 175.800 0.004 0.000 1.087 267 F CA 1.028 59.044 58.000 0.026 0.000 1.250 267 F CB 1.342 40.390 39.000 0.080 0.000 1.110 267 F HN 0.084 nan 8.300 nan 0.000 0.570 268 T N 4.522 118.528 114.554 -0.913 0.000 2.848 268 T HA 0.723 5.073 4.350 -0.001 0.000 0.285 268 T C -0.183 173.923 174.700 -0.991 0.000 0.995 268 T CA 0.273 61.972 62.100 -0.669 0.000 0.970 268 T CB 0.848 69.520 68.868 -0.326 0.000 0.976 268 T HN 1.232 nan 8.240 nan 0.000 0.441 269 G N 2.741 111.207 108.800 -0.557 0.000 2.350 269 G HA2 0.522 4.482 3.960 -0.001 0.000 0.085 269 G HA3 0.522 4.482 3.960 -0.001 0.000 0.085 269 G C -0.970 173.905 174.900 -0.043 0.000 1.159 269 G CA 0.105 45.017 45.100 -0.312 0.000 1.146 269 G HN 1.334 nan 8.290 nan 0.000 0.449 270 A N -1.365 121.502 122.820 0.080 0.000 2.527 270 A HA 0.847 5.166 4.320 -0.001 0.000 0.293 270 A C -1.884 175.827 177.584 0.210 0.000 1.117 270 A CA -0.534 51.532 52.037 0.049 0.000 0.723 270 A CB 1.501 20.419 19.000 -0.136 0.000 1.313 270 A HN 1.115 nan 8.150 nan 0.000 0.411 271 Y N -0.234 120.116 120.300 0.083 0.000 2.429 271 Y HA 0.632 5.182 4.550 -0.001 0.000 0.342 271 Y C 0.561 176.480 175.900 0.031 0.000 1.004 271 Y CA -1.475 56.635 58.100 0.016 0.000 1.075 271 Y CB 1.961 40.429 38.460 0.014 0.000 1.214 271 Y HN 0.820 nan 8.280 nan 0.000 0.455 272 A N 5.276 128.206 122.820 0.182 0.000 2.527 272 A HA 0.495 4.814 4.320 -0.001 0.000 0.313 272 A C -0.327 177.303 177.584 0.078 0.000 1.410 272 A CA -0.495 51.662 52.037 0.200 0.000 1.060 272 A CB -0.928 18.188 19.000 0.193 0.000 1.137 272 A HN 0.755 nan 8.150 nan 0.000 0.542 273 L N 2.319 123.524 121.223 -0.031 0.000 2.416 273 L HA 0.278 4.617 4.340 -0.001 0.000 0.272 273 L C 0.348 177.273 176.870 0.092 0.000 1.161 273 L CA 0.417 55.233 54.840 -0.041 0.000 0.845 273 L CB 0.451 42.354 42.059 -0.260 0.000 1.119 273 L HN 0.590 nan 8.230 nan 0.000 0.464 274 K N 3.670 124.209 120.400 0.233 0.000 2.535 274 K HA 0.258 4.578 4.320 -0.001 0.000 0.250 274 K C 0.833 177.510 176.600 0.130 0.000 0.948 274 K CA -0.555 55.874 56.287 0.237 0.000 0.796 274 K CB 2.416 34.953 32.500 0.062 0.000 1.216 274 K HN 0.578 nan 8.250 nan 0.000 0.432 275 I N -0.468 120.133 120.570 0.052 0.000 2.335 275 I HA -0.216 3.954 4.170 -0.001 0.000 0.251 275 I C 1.831 177.841 176.117 -0.179 0.000 1.129 275 I CA 1.591 62.837 61.300 -0.090 0.000 1.402 275 I CB -0.245 37.632 38.000 -0.206 0.000 1.069 275 I HN 0.577 nan 8.210 nan 0.000 0.424 276 A N 1.860 124.482 122.820 -0.330 0.000 1.933 276 A HA -0.155 4.164 4.320 -0.001 0.000 0.218 276 A C 2.402 179.669 177.584 -0.527 0.000 1.175 276 A CA 1.739 53.346 52.037 -0.718 0.000 0.628 276 A CB -0.498 17.646 19.000 -1.427 0.000 0.814 276 A HN 0.503 nan 8.150 nan 0.000 0.444 277 K N -0.596 119.657 120.400 -0.244 0.000 2.155 277 K HA 0.053 4.373 4.320 -0.001 0.000 0.203 277 K C 2.060 178.666 176.600 0.009 0.000 1.052 277 K CA 1.023 57.295 56.287 -0.024 0.000 0.948 277 K CB -0.164 32.346 32.500 0.017 0.000 0.728 277 K HN 0.433 nan 8.250 nan 0.000 0.448 278 A N 0.072 122.886 122.820 -0.010 0.000 2.095 278 A HA 0.216 4.536 4.320 -0.001 0.000 0.212 278 A C 1.376 178.966 177.584 0.009 0.000 1.162 278 A CA 0.982 53.028 52.037 0.015 0.000 0.753 278 A CB 0.185 19.203 19.000 0.030 0.000 0.840 278 A HN 0.382 nan 8.150 nan 0.000 0.468 279 G N -2.756 106.031 108.800 -0.021 0.000 2.148 279 G HA2 0.430 4.390 3.960 -0.001 0.000 0.157 279 G HA3 0.430 4.390 3.960 -0.001 0.000 0.157 279 G C 0.878 175.758 174.900 -0.032 0.000 1.012 279 G CA 0.202 45.295 45.100 -0.012 0.000 0.677 279 G HN 2.292 nan 8.290 nan 0.000 0.506 280 G N -1.547 107.216 108.800 -0.061 0.000 2.357 280 G HA2 0.429 4.389 3.960 -0.001 0.000 0.643 280 G HA3 0.429 4.389 3.960 -0.001 0.000 0.643 280 G C -1.664 173.183 174.900 -0.088 0.000 1.358 280 G CA 0.169 45.223 45.100 -0.077 0.000 0.986 280 G HN 0.258 nan 8.290 nan 0.000 0.620 281 P HA -0.067 nan 4.420 nan 0.000 0.219 281 P C 1.456 178.711 177.300 -0.074 0.000 1.146 281 P CA 1.488 64.498 63.100 -0.151 0.000 0.808 281 P CB 0.188 31.791 31.700 -0.162 0.000 0.779 282 N N -1.390 117.281 118.700 -0.049 0.000 2.278 282 N HA -0.049 4.691 4.740 -0.001 0.000 0.181 282 N C 1.613 177.120 175.510 -0.004 0.000 1.023 282 N CA 0.776 53.813 53.050 -0.022 0.000 0.862 282 N CB -0.017 38.456 38.487 -0.023 0.000 1.003 282 N HN -0.080 nan 8.380 nan 0.000 0.431 283 S N 0.660 116.355 115.700 -0.008 0.000 2.383 283 S HA -0.109 4.360 4.470 -0.001 0.000 0.229 283 S C 1.906 176.517 174.600 0.018 0.000 1.030 283 S CA 0.744 58.944 58.200 0.001 0.000 1.002 283 S CB -0.402 62.798 63.200 0.000 0.000 0.829 283 S HN 0.258 nan 8.310 nan 0.000 0.467 284 V N 2.076 122.012 119.914 0.037 0.000 2.720 284 V HA -0.074 4.045 4.120 -0.001 0.000 0.256 284 V C 1.705 177.871 176.094 0.120 0.000 1.082 284 V CA 1.227 63.585 62.300 0.096 0.000 1.101 284 V CB -0.520 31.408 31.823 0.176 0.000 0.693 284 V HN 0.474 nan 8.190 nan 0.000 0.479 285 L N -0.096 121.182 121.223 0.092 0.000 2.131 285 L HA -0.097 4.243 4.340 -0.001 0.000 0.210 285 L C 2.748 179.656 176.870 0.063 0.000 1.092 285 L CA 1.347 56.242 54.840 0.092 0.000 0.759 285 L CB -0.892 41.207 42.059 0.066 0.000 0.903 285 L HN 0.430 nan 8.230 nan 0.000 0.435 286 A N 0.276 123.115 122.820 0.032 0.000 1.877 286 A HA -0.216 4.104 4.320 -0.001 0.000 0.216 286 A C 2.322 179.919 177.584 0.021 0.000 1.186 286 A CA 1.465 53.504 52.037 0.004 0.000 0.620 286 A CB -0.711 18.263 19.000 -0.043 0.000 0.822 286 A HN 0.372 nan 8.150 nan 0.000 0.443 287 L N -0.722 120.522 121.223 0.036 0.000 2.012 287 L HA -0.214 4.126 4.340 -0.001 0.000 0.210 287 L C 2.934 179.881 176.870 0.128 0.000 1.073 287 L CA 1.633 56.517 54.840 0.074 0.000 0.748 287 L CB -0.576 41.528 42.059 0.074 0.000 0.891 287 L HN 0.452 nan 8.230 nan 0.000 0.431 288 A N -0.051 122.841 122.820 0.120 0.000 1.892 288 A HA -0.284 4.036 4.320 -0.001 0.000 0.218 288 A C 2.151 179.791 177.584 0.092 0.000 1.188 288 A CA 1.924 54.030 52.037 0.116 0.000 0.631 288 A CB -0.517 18.555 19.000 0.119 0.000 0.822 288 A HN 0.370 nan 8.150 nan 0.000 0.447 289 R N -0.559 119.986 120.500 0.075 0.000 2.096 289 R HA -0.041 4.299 4.340 -0.001 0.000 0.235 289 R C 2.021 178.361 176.300 0.067 0.000 1.127 289 R CA 1.329 57.465 56.100 0.059 0.000 0.968 289 R CB -1.219 29.106 30.300 0.042 0.000 0.861 289 R HN 0.393 nan 8.270 nan 0.000 0.440 290 V N 0.576 120.541 119.914 0.085 0.000 2.295 290 V HA -0.229 3.891 4.120 -0.001 0.000 0.246 290 V C 2.298 178.473 176.094 0.136 0.000 1.049 290 V CA 1.913 64.284 62.300 0.118 0.000 1.024 290 V CB -0.947 30.962 31.823 0.143 0.000 0.648 290 V HN 0.393 nan 8.190 nan 0.000 0.447 291 A N -0.692 122.216 122.820 0.147 0.000 1.865 291 A HA -0.328 3.992 4.320 -0.001 0.000 0.217 291 A C 2.187 179.778 177.584 0.011 0.000 1.191 291 A CA 2.235 54.310 52.037 0.063 0.000 0.623 291 A CB -0.598 18.431 19.000 0.049 0.000 0.826 291 A HN 0.626 nan 8.150 nan 0.000 0.444 292 Q N -0.837 118.982 119.800 0.032 0.000 2.096 292 Q HA -0.153 4.186 4.340 -0.001 0.000 0.204 292 Q C 2.426 178.441 176.000 0.026 0.000 0.982 292 Q CA 1.469 57.285 55.803 0.021 0.000 0.850 292 Q CB -0.430 28.325 28.738 0.029 0.000 0.901 292 Q HN 0.700 nan 8.270 nan 0.000 0.422 293 A N 0.882 123.729 122.820 0.044 0.000 1.978 293 A HA -0.111 4.209 4.320 -0.001 0.000 0.220 293 A C 2.092 179.708 177.584 0.053 0.000 1.170 293 A CA 1.643 53.710 52.037 0.050 0.000 0.636 293 A CB -0.491 18.549 19.000 0.067 0.000 0.810 293 A HN 0.389 nan 8.150 nan 0.000 0.448 294 A N -2.035 120.818 122.820 0.055 0.000 2.275 294 A HA 0.440 4.759 4.320 -0.001 0.000 0.212 294 A C 1.670 179.257 177.584 0.005 0.000 1.201 294 A CA 1.068 53.132 52.037 0.045 0.000 0.843 294 A CB -0.824 18.216 19.000 0.068 0.000 0.873 294 A HN 1.885 nan 8.150 nan 0.000 0.492 295 G N -0.501 108.296 108.800 -0.006 0.000 2.147 295 G HA2 -0.186 3.773 3.960 -0.001 0.000 0.244 295 G HA3 -0.186 3.773 3.960 -0.001 0.000 0.244 295 G C -0.040 174.831 174.900 -0.049 0.000 1.005 295 G CA 0.241 45.329 45.100 -0.021 0.000 0.713 295 G HN 0.330 nan 8.290 nan 0.000 0.515 296 I N 1.445 121.961 120.570 -0.090 0.000 2.365 296 I HA 0.466 4.636 4.170 -0.001 0.000 0.291 296 I C 1.419 177.477 176.117 -0.098 0.000 1.004 296 I CA -0.045 61.149 61.300 -0.176 0.000 1.311 296 I CB 0.802 38.508 38.000 -0.490 0.000 1.401 296 I HN 0.141 nan 8.210 nan 0.000 0.491 297 G N 6.503 115.308 108.800 0.007 0.000 2.606 297 G HA2 0.490 4.450 3.960 -0.001 0.000 0.252 297 G HA3 0.490 4.450 3.960 -0.001 0.000 0.252 297 G C -0.371 174.625 174.900 0.161 0.000 1.206 297 G CA -0.535 44.654 45.100 0.148 0.000 0.861 297 G HN 0.514 nan 8.290 nan 0.000 0.561 298 L N 0.003 121.346 121.223 0.199 0.000 2.334 298 L HA 0.544 4.883 4.340 -0.001 0.000 0.273 298 L C -0.983 176.041 176.870 0.257 0.000 1.013 298 L CA -1.055 53.879 54.840 0.155 0.000 0.816 298 L CB 2.135 44.217 42.059 0.039 0.000 1.278 298 L HN 0.567 nan 8.230 nan 0.000 0.431 299 Y N 0.261 120.530 120.300 -0.052 0.000 2.433 299 Y HA 0.576 5.126 4.550 -0.000 0.000 0.337 299 Y C 0.055 175.697 175.900 -0.429 0.000 1.026 299 Y CA -0.966 57.070 58.100 -0.106 0.000 1.037 299 Y CB 2.167 40.618 38.460 -0.015 0.000 1.245 299 Y HN 0.534 nan 8.280 nan 0.000 0.443 300 G N 3.573 111.769 108.800 -1.008 0.000 2.530 300 G HA2 0.453 4.413 3.960 -0.001 0.000 0.313 300 G HA3 0.453 4.413 3.960 -0.001 0.000 0.313 300 G C 0.140 174.491 174.900 -0.916 0.000 0.971 300 G CA 0.054 44.245 45.100 -1.515 0.000 1.237 300 G HN 0.966 nan 8.290 nan 0.000 0.446 301 G N 0.475 108.971 108.800 -0.507 0.000 2.504 301 G HA2 0.566 4.526 3.960 -0.001 0.000 0.288 301 G HA3 0.566 4.526 3.960 -0.001 0.000 0.288 301 G C -0.359 174.570 174.900 0.048 0.000 1.182 301 G CA -0.214 44.783 45.100 -0.171 0.000 0.894 301 G HN 0.655 nan 8.290 nan 0.000 0.521 302 T N -0.910 113.624 114.554 -0.033 0.000 2.883 302 T HA 0.483 4.833 4.350 -0.001 0.000 0.296 302 T C -0.047 174.605 174.700 -0.081 0.000 1.117 302 T CA -0.631 61.426 62.100 -0.072 0.000 1.006 302 T CB 1.706 70.440 68.868 -0.224 0.000 1.191 302 T HN 0.230 nan 8.240 nan 0.000 0.508 303 M N 2.899 122.450 119.600 -0.082 0.000 2.596 303 M HA 0.554 5.034 4.480 -0.001 0.000 0.364 303 M C 0.026 176.290 176.300 -0.060 0.000 1.158 303 M CA 0.170 55.451 55.300 -0.032 0.000 0.940 303 M CB -0.745 31.868 32.600 0.022 0.000 1.388 303 M HN 0.668 nan 8.290 nan 0.000 0.522 304 L N 0.549 121.682 121.223 -0.150 0.000 3.598 304 L HA -0.262 4.078 4.340 -0.001 0.000 0.422 304 L C -0.456 176.359 176.870 -0.092 0.000 1.262 304 L CA -0.130 54.607 54.840 -0.171 0.000 0.889 304 L CB -1.885 40.100 42.059 -0.123 0.000 1.857 304 L HN 0.281 nan 8.230 nan 0.000 0.858 305 E N 0.182 120.331 120.200 -0.084 0.000 2.409 305 E HA 0.427 4.776 4.350 -0.001 0.000 0.257 305 E C 1.024 177.608 176.600 -0.027 0.000 1.150 305 E CA 0.777 57.151 56.400 -0.043 0.000 0.942 305 E CB 0.496 30.165 29.700 -0.052 0.000 0.979 305 E HN 0.282 nan 8.360 nan 0.000 0.447 306 G N -0.084 108.712 108.800 -0.005 0.000 2.504 306 G HA2 0.017 3.976 3.960 -0.001 0.000 0.257 306 G HA3 0.017 3.976 3.960 -0.001 0.000 0.257 306 G C 0.745 175.662 174.900 0.028 0.000 1.451 306 G CA 0.020 45.127 45.100 0.011 0.000 1.059 306 G HN 0.490 nan 8.290 nan 0.000 0.550 307 T N -0.389 114.191 114.554 0.042 0.000 2.746 307 T HA -0.130 4.220 4.350 -0.001 0.000 0.267 307 T C 2.567 177.280 174.700 0.022 0.000 1.039 307 T CA 1.351 63.482 62.100 0.051 0.000 1.142 307 T CB -0.271 68.630 68.868 0.055 0.000 0.866 307 T HN 0.114 nan 8.240 nan 0.000 0.444 308 V N 1.452 121.375 119.914 0.015 0.000 2.233 308 V HA -0.133 3.987 4.120 -0.001 0.000 0.247 308 V C 2.908 178.992 176.094 -0.016 0.000 1.050 308 V CA 2.167 64.471 62.300 0.006 0.000 1.010 308 V CB -1.391 30.442 31.823 0.016 0.000 0.637 308 V HN 0.594 nan 8.190 nan 0.000 0.444 309 G N -1.047 107.738 108.800 -0.024 0.000 2.432 309 G HA2 -0.232 3.728 3.960 -0.001 0.000 0.219 309 G HA3 -0.232 3.728 3.960 -0.001 0.000 0.219 309 G C 1.678 176.525 174.900 -0.089 0.000 1.135 309 G CA 1.540 46.605 45.100 -0.059 0.000 0.767 309 G HN 0.483 nan 8.290 nan 0.000 0.550 310 T N 0.113 114.634 114.554 -0.055 0.000 2.737 310 T HA -0.085 4.265 4.350 -0.001 0.000 0.265 310 T C 2.358 177.001 174.700 -0.096 0.000 1.038 310 T CA 1.106 63.172 62.100 -0.056 0.000 1.144 310 T CB -0.285 68.598 68.868 0.025 0.000 0.866 310 T HN 0.055 nan 8.240 nan 0.000 0.434 311 V N 1.418 121.293 119.914 -0.066 0.000 2.515 311 V HA -0.047 4.073 4.120 -0.001 0.000 0.250 311 V C 2.629 178.694 176.094 -0.049 0.000 1.058 311 V CA 1.695 63.946 62.300 -0.082 0.000 1.064 311 V CB -0.926 30.884 31.823 -0.022 0.000 0.675 311 V HN 0.502 nan 8.190 nan 0.000 0.461 312 A N -0.649 122.137 122.820 -0.057 0.000 1.908 312 A HA -0.202 4.118 4.320 -0.001 0.000 0.218 312 A C 2.450 179.870 177.584 -0.272 0.000 1.181 312 A CA 2.468 54.451 52.037 -0.090 0.000 0.627 312 A CB -0.797 18.132 19.000 -0.118 0.000 0.818 312 A HN 0.590 nan 8.150 nan 0.000 0.445 313 S N -0.156 115.284 115.700 -0.433 0.000 2.368 313 S HA -0.068 4.402 4.470 -0.001 0.000 0.224 313 S C 1.773 175.682 174.600 -1.152 0.000 1.029 313 S CA 1.166 58.792 58.200 -0.956 0.000 0.988 313 S CB -0.311 62.431 63.200 -0.763 0.000 0.838 313 S HN 0.375 nan 8.310 nan 0.000 0.462 314 L N 1.760 122.639 121.223 -0.572 0.000 2.079 314 L HA -0.119 4.221 4.340 -0.001 0.000 0.210 314 L C 2.300 179.008 176.870 -0.271 0.000 1.081 314 L CA 1.798 56.438 54.840 -0.333 0.000 0.752 314 L CB -1.765 40.146 42.059 -0.247 0.000 0.896 314 L HN 0.426 nan 8.230 nan 0.000 0.433 315 H N -0.644 118.290 119.070 -0.226 0.000 2.353 315 H HA -0.082 4.473 4.556 -0.001 0.000 0.300 315 H C 2.079 177.333 175.328 -0.123 0.000 1.090 315 H CA 1.590 57.553 56.048 -0.142 0.000 1.327 315 H CB 0.135 29.814 29.762 -0.138 0.000 1.383 315 H HN 0.313 nan 8.280 nan 0.000 0.508 316 A N 0.741 123.486 122.820 -0.124 0.000 1.855 316 A HA -0.154 4.165 4.320 -0.001 0.000 0.215 316 A C 2.445 180.142 177.584 0.190 0.000 1.191 316 A CA 1.068 53.063 52.037 -0.071 0.000 0.613 316 A CB -1.328 17.491 19.000 -0.300 0.000 0.829 316 A HN 0.528 nan 8.150 nan 0.000 0.442 317 W N 0.974 122.269 121.300 -0.008 0.000 2.325 317 W HA -0.227 4.433 4.660 -0.000 0.000 0.299 317 W C 2.822 179.331 176.519 -0.017 0.000 1.215 317 W CA 0.967 58.301 57.345 -0.019 0.000 1.244 317 W CB -0.277 29.157 29.460 -0.045 0.000 1.140 317 W HN 0.543 nan 8.180 nan 0.000 0.523 318 S N 0.155 115.973 115.700 0.197 0.000 2.442 318 S HA -0.213 4.256 4.470 -0.001 0.000 0.236 318 S C 1.615 176.269 174.600 0.090 0.000 1.007 318 S CA 1.690 59.949 58.200 0.099 0.000 0.965 318 S CB -1.085 62.131 63.200 0.027 0.000 0.773 318 S HN 0.324 nan 8.310 nan 0.000 0.504 319 T N -0.610 114.010 114.554 0.111 0.000 3.113 319 T HA 0.387 4.736 4.350 -0.001 0.000 0.256 319 T C 0.437 175.187 174.700 0.085 0.000 1.131 319 T CA -0.214 61.938 62.100 0.086 0.000 1.074 319 T CB -0.500 68.417 68.868 0.082 0.000 0.944 319 T HN 0.381 nan 8.240 nan 0.000 0.516 320 L N 0.799 122.087 121.223 0.107 0.000 2.333 320 L HA 0.577 4.917 4.340 -0.001 0.000 0.269 320 L C -2.801 174.098 176.870 0.048 0.000 1.010 320 L CA -3.018 51.870 54.840 0.080 0.000 0.818 320 L CB 1.820 43.941 42.059 0.102 0.000 1.306 320 L HN -0.226 nan 8.230 nan 0.000 0.430 321 P HA 0.268 nan 4.420 nan 0.000 0.286 321 P C -0.977 176.318 177.300 -0.009 0.000 1.321 321 P CA 0.017 63.118 63.100 0.001 0.000 0.790 321 P CB 0.411 32.107 31.700 -0.007 0.000 0.897 322 L N 3.708 124.920 121.223 -0.019 0.000 2.360 322 L HA 0.274 4.614 4.340 -0.001 0.000 0.265 322 L C 1.871 178.714 176.870 -0.046 0.000 1.066 322 L CA -0.293 54.534 54.840 -0.022 0.000 0.929 322 L CB 0.853 42.884 42.059 -0.048 0.000 1.306 322 L HN 0.429 nan 8.230 nan 0.000 0.434 323 Q N 2.330 122.068 119.800 -0.104 0.000 2.152 323 Q HA -0.195 4.144 4.340 -0.001 0.000 0.206 323 Q C 0.741 176.451 176.000 -0.485 0.000 0.985 323 Q CA 2.244 57.843 55.803 -0.339 0.000 0.863 323 Q CB 0.070 28.526 28.738 -0.471 0.000 0.904 323 Q HN 0.701 nan 8.270 nan 0.000 0.422 324 W N 0.359 121.696 121.300 0.062 0.000 3.239 324 W HA 0.409 5.069 4.660 -0.000 0.000 0.368 324 W C 0.972 177.631 176.519 0.234 0.000 1.154 324 W CA 0.161 57.583 57.345 0.128 0.000 1.860 324 W CB 0.203 29.726 29.460 0.104 0.000 1.094 324 W HN 0.445 nan 8.180 nan 0.000 0.643 325 G N 1.162 110.095 108.800 0.221 0.000 2.598 325 G HA2 -0.135 3.825 3.960 -0.001 0.000 0.244 325 G HA3 -0.135 3.825 3.960 -0.001 0.000 0.244 325 G C 0.026 174.916 174.900 -0.017 0.000 1.302 325 G CA 0.231 45.407 45.100 0.125 0.000 0.903 325 G HN 0.421 nan 8.290 nan 0.000 0.575 326 T N -2.806 111.708 114.554 -0.067 0.000 2.865 326 T HA 0.726 5.076 4.350 -0.001 0.000 0.294 326 T C 0.062 174.698 174.700 -0.107 0.000 1.119 326 T CA 0.436 62.363 62.100 -0.289 0.000 1.007 326 T CB 2.085 70.901 68.868 -0.086 0.000 1.225 326 T HN 1.511 nan 8.240 nan 0.000 0.515 327 E N 1.152 121.252 120.200 -0.166 0.000 3.385 327 E HA 0.250 4.600 4.350 -0.001 0.000 0.206 327 E C -0.159 176.407 176.600 -0.057 0.000 0.997 327 E CA -0.815 55.642 56.400 0.096 0.000 1.278 327 E CB 0.146 29.926 29.700 0.134 0.000 1.165 327 E HN 0.333 nan 8.360 nan 0.000 0.452 328 M N 1.870 121.512 119.600 0.071 0.000 3.706 328 M HA 0.190 4.669 4.480 -0.001 0.000 0.204 328 M C -0.288 176.129 176.300 0.196 0.000 1.455 328 M CA -0.436 54.900 55.300 0.061 0.000 1.659 328 M CB -1.582 31.120 32.600 0.169 0.000 1.076 328 M HN 0.380 nan 8.290 nan 0.000 0.577 329 F N -2.587 117.440 119.950 0.127 0.000 2.653 329 F HA 0.508 5.035 4.527 -0.001 0.000 0.304 329 F C 1.415 177.211 175.800 -0.006 0.000 1.092 329 F CA -0.606 57.421 58.000 0.045 0.000 1.279 329 F CB -1.066 37.998 39.000 0.106 0.000 1.044 329 F HN 0.305 nan 8.300 nan 0.000 0.564 330 G N 2.204 110.856 108.800 -0.247 0.000 2.513 330 G HA2 -0.247 3.713 3.960 -0.001 0.000 0.219 330 G HA3 -0.247 3.713 3.960 -0.001 0.000 0.219 330 G C -0.653 174.265 174.900 0.030 0.000 1.160 330 G CA 1.236 46.256 45.100 -0.134 0.000 0.767 330 G HN 0.318 nan 8.290 nan 0.000 0.571 331 P HA -0.021 nan 4.420 nan 0.000 0.218 331 P C 1.849 179.186 177.300 0.062 0.000 1.149 331 P CA 0.628 63.785 63.100 0.095 0.000 0.817 331 P CB -0.132 31.698 31.700 0.217 0.000 0.785 332 L N -1.658 119.571 121.223 0.010 0.000 2.549 332 L HA -0.075 4.265 4.340 -0.001 0.000 0.229 332 L C 1.812 178.789 176.870 0.178 0.000 1.158 332 L CA 0.754 55.613 54.840 0.032 0.000 0.842 332 L CB -0.652 41.389 42.059 -0.030 0.000 0.952 332 L HN 0.036 nan 8.230 nan 0.000 0.452 333 L N -0.678 120.655 121.223 0.184 0.000 2.585 333 L HA 0.153 4.493 4.340 -0.001 0.000 0.226 333 L C 0.589 177.513 176.870 0.091 0.000 1.113 333 L CA -0.041 54.901 54.840 0.169 0.000 0.876 333 L CB 0.099 42.245 42.059 0.145 0.000 1.072 333 L HN 0.161 nan 8.230 nan 0.000 0.468 334 L N -0.332 120.928 121.223 0.062 0.000 2.360 334 L HA 0.306 4.646 4.340 -0.001 0.000 0.271 334 L C 1.107 177.992 176.870 0.026 0.000 1.057 334 L CA -0.602 54.252 54.840 0.024 0.000 0.803 334 L CB 1.124 43.181 42.059 -0.004 0.000 1.207 334 L HN -0.123 nan 8.230 nan 0.000 0.445 335 K N 0.314 120.721 120.400 0.013 0.000 2.314 335 K HA 0.137 4.457 4.320 -0.001 0.000 0.198 335 K C -0.296 176.324 176.600 0.034 0.000 1.045 335 K CA 0.618 56.924 56.287 0.032 0.000 0.988 335 K CB 0.069 32.596 32.500 0.045 0.000 0.783 335 K HN 0.569 nan 8.250 nan 0.000 0.484 336 D N -0.557 119.837 120.400 -0.010 0.000 2.623 336 D HA 0.233 4.873 4.640 -0.001 0.000 0.241 336 D C -1.669 174.578 176.300 -0.089 0.000 1.241 336 D CA -0.462 53.538 54.000 0.000 0.000 0.788 336 D CB 1.770 42.629 40.800 0.099 0.000 1.413 336 D HN -0.221 nan 8.370 nan 0.000 0.429 337 D N 0.110 120.496 120.400 -0.022 0.000 2.614 337 D HA 0.350 4.989 4.640 -0.001 0.000 0.264 337 D C 0.359 176.675 176.300 0.027 0.000 1.092 337 D CA -0.463 53.517 54.000 -0.034 0.000 1.071 337 D CB 1.468 42.274 40.800 0.010 0.000 1.443 337 D HN 0.311 nan 8.370 nan 0.000 0.528 338 I N -0.477 120.106 120.570 0.023 0.000 3.884 338 I HA 0.224 4.394 4.170 -0.001 0.000 0.330 338 I C 0.239 176.365 176.117 0.016 0.000 1.451 338 I CA -0.538 60.789 61.300 0.044 0.000 1.165 338 I CB -0.257 37.753 38.000 0.017 0.000 1.097 338 I HN 0.089 nan 8.210 nan 0.000 0.404 339 V N -1.573 118.356 119.914 0.024 0.000 2.850 339 V HA 0.656 4.776 4.120 -0.001 0.000 0.315 339 V C 1.350 177.457 176.094 0.020 0.000 1.064 339 V CA 0.122 62.432 62.300 0.017 0.000 0.979 339 V CB 1.297 33.133 31.823 0.023 0.000 1.039 339 V HN 0.304 nan 8.190 nan 0.000 0.452 340 S N 1.661 117.368 115.700 0.012 0.000 2.414 340 S HA 0.122 4.592 4.470 -0.001 0.000 0.227 340 S C 0.573 175.183 174.600 0.017 0.000 1.022 340 S CA 0.635 58.842 58.200 0.011 0.000 0.958 340 S CB -0.128 63.074 63.200 0.004 0.000 0.797 340 S HN 0.923 nan 8.310 nan 0.000 0.493 341 V N 3.963 123.888 119.914 0.018 0.000 2.524 341 V HA 0.470 4.590 4.120 -0.001 0.000 0.297 341 V C -2.393 173.718 176.094 0.028 0.000 1.035 341 V CA -1.891 60.422 62.300 0.021 0.000 0.867 341 V CB 1.971 33.802 31.823 0.013 0.000 1.004 341 V HN 0.272 nan 8.190 nan 0.000 0.426 342 P HA 0.375 nan 4.420 nan 0.000 0.274 342 P C -0.458 176.869 177.300 0.045 0.000 1.256 342 P CA -0.423 62.717 63.100 0.066 0.000 0.795 342 P CB 1.258 33.017 31.700 0.099 0.000 1.038 343 L N -0.210 121.040 121.223 0.045 0.000 2.453 343 L HA 0.251 4.591 4.340 -0.001 0.000 0.261 343 L C 1.307 178.127 176.870 -0.084 0.000 1.179 343 L CA -0.084 54.701 54.840 -0.091 0.000 0.813 343 L CB 0.197 42.100 42.059 -0.260 0.000 1.110 343 L HN 0.409 nan 8.230 nan 0.000 0.466 344 T N 1.461 115.905 114.554 -0.183 0.000 2.743 344 T HA 0.496 4.845 4.350 -0.001 0.000 0.292 344 T C -0.740 173.837 174.700 -0.205 0.000 0.972 344 T CA -0.340 61.706 62.100 -0.090 0.000 0.967 344 T CB -0.153 68.682 68.868 -0.054 0.000 0.926 344 T HN 0.206 nan 8.240 nan 0.000 0.459 345 F N 3.440 123.400 119.950 0.016 0.000 2.443 345 F HA 0.774 5.301 4.527 -0.001 0.000 0.335 345 F C 0.553 176.356 175.800 0.005 0.000 1.104 345 F CA -0.490 57.522 58.000 0.021 0.000 1.013 345 F CB 2.021 41.045 39.000 0.040 0.000 1.136 345 F HN 0.842 nan 8.300 nan 0.000 0.470 346 A N 2.119 125.040 122.820 0.168 0.000 2.590 346 A HA 0.481 4.801 4.320 -0.001 0.000 0.296 346 A C -0.505 177.115 177.584 0.060 0.000 1.050 346 A CA -0.731 51.359 52.037 0.088 0.000 0.697 346 A CB 0.715 19.745 19.000 0.049 0.000 1.277 346 A HN 0.786 nan 8.150 nan 0.000 0.411 347 D N 0.501 120.922 120.400 0.036 0.000 2.708 347 D HA 0.041 4.681 4.640 -0.001 0.000 0.236 347 D C 1.232 177.547 176.300 0.026 0.000 1.146 347 D CA 3.081 57.093 54.000 0.021 0.000 0.662 347 D CB -1.032 39.777 40.800 0.014 0.000 1.059 347 D HN 2.554 nan 8.370 nan 0.000 0.428 348 G N -0.544 108.278 108.800 0.036 0.000 2.179 348 G HA2 -0.330 3.629 3.960 -0.001 0.000 0.257 348 G HA3 -0.330 3.629 3.960 -0.001 0.000 0.257 348 G C 0.206 175.155 174.900 0.082 0.000 1.010 348 G CA 0.930 46.055 45.100 0.041 0.000 0.736 348 G HN 0.685 nan 8.290 nan 0.000 0.513 349 Q N -2.002 117.861 119.800 0.104 0.000 2.615 349 Q HA 0.769 5.108 4.340 -0.001 0.000 0.298 349 Q C -1.081 174.970 176.000 0.086 0.000 1.023 349 Q CA -0.915 54.941 55.803 0.090 0.000 0.768 349 Q CB 2.963 31.720 28.738 0.032 0.000 1.500 349 Q HN 0.537 nan 8.270 nan 0.000 0.441 350 V N -0.034 119.863 119.914 -0.028 0.000 2.789 350 V HA 0.827 4.947 4.120 -0.001 0.000 0.311 350 V C -1.493 174.469 176.094 -0.219 0.000 1.073 350 V CA -0.490 61.645 62.300 -0.275 0.000 0.921 350 V CB 1.740 33.280 31.823 -0.471 0.000 1.009 350 V HN 0.871 nan 8.190 nan 0.000 0.426 351 A N 5.983 128.651 122.820 -0.252 0.000 2.328 351 A HA 0.697 5.016 4.320 -0.001 0.000 0.284 351 A C -0.692 176.773 177.584 -0.198 0.000 1.160 351 A CA -0.377 51.557 52.037 -0.172 0.000 0.818 351 A CB 0.750 19.672 19.000 -0.129 0.000 1.087 351 A HN 1.146 nan 8.150 nan 0.000 0.504 352 L N 5.912 127.032 121.223 -0.171 0.000 2.278 352 L HA 0.447 4.786 4.340 -0.001 0.000 0.287 352 L C -1.942 174.832 176.870 -0.160 0.000 1.072 352 L CA -1.645 53.060 54.840 -0.225 0.000 0.819 352 L CB 0.700 42.612 42.059 -0.245 0.000 1.176 352 L HN 0.485 nan 8.230 nan 0.000 0.435 353 P HA 0.054 nan 4.420 nan 0.000 0.269 353 P C -0.921 176.398 177.300 0.033 0.000 1.215 353 P CA -0.115 62.963 63.100 -0.036 0.000 0.780 353 P CB 0.735 32.436 31.700 0.002 0.000 0.898 354 Q N 0.046 119.868 119.800 0.036 0.000 2.115 354 Q HA 0.138 4.477 4.340 -0.001 0.000 0.249 354 Q C 0.521 176.545 176.000 0.039 0.000 0.830 354 Q CA 0.068 55.905 55.803 0.056 0.000 1.104 354 Q CB 0.394 29.147 28.738 0.025 0.000 1.207 354 Q HN 0.603 nan 8.270 nan 0.000 0.464 355 T N -2.341 112.235 114.554 0.036 0.000 2.849 355 T HA 0.546 4.896 4.350 -0.001 0.000 0.276 355 T C -2.527 172.176 174.700 0.005 0.000 0.971 355 T CA -2.034 60.075 62.100 0.015 0.000 0.949 355 T CB 0.959 69.833 68.868 0.010 0.000 1.093 355 T HN -0.172 nan 8.240 nan 0.000 0.545 356 P HA 0.324 nan 4.420 nan 0.000 0.265 356 P C 1.026 178.298 177.300 -0.047 0.000 1.187 356 P CA 1.522 64.606 63.100 -0.027 0.000 0.766 356 P CB -0.175 31.513 31.700 -0.020 0.000 0.820 357 G N 1.839 110.587 108.800 -0.086 0.000 2.547 357 G HA2 -0.315 3.645 3.960 -0.001 0.000 0.271 357 G HA3 -0.315 3.645 3.960 -0.001 0.000 0.271 357 G C 0.797 175.572 174.900 -0.208 0.000 1.209 357 G CA 0.111 45.134 45.100 -0.128 0.000 0.959 357 G HN 0.466 nan 8.290 nan 0.000 0.563 358 L N 1.529 122.661 121.223 -0.151 0.000 2.217 358 L HA 0.286 4.625 4.340 -0.001 0.000 0.211 358 L C 2.585 179.527 176.870 0.120 0.000 1.107 358 L CA 1.511 56.298 54.840 -0.088 0.000 0.783 358 L CB -0.582 41.466 42.059 -0.019 0.000 0.919 358 L HN 2.157 nan 8.230 nan 0.000 0.442 359 G N 0.216 109.043 108.800 0.044 0.000 2.141 359 G HA2 -0.219 3.741 3.960 -0.001 0.000 0.231 359 G HA3 -0.219 3.741 3.960 -0.001 0.000 0.231 359 G C 0.133 175.052 174.900 0.032 0.000 0.984 359 G CA 0.092 45.225 45.100 0.055 0.000 0.660 359 G HN 0.290 nan 8.290 nan 0.000 0.525 360 V N -3.109 116.820 119.914 0.025 0.000 3.040 360 V HA 0.983 5.103 4.120 -0.001 0.000 0.312 360 V C -0.528 175.573 176.094 0.010 0.000 1.115 360 V CA -1.180 61.129 62.300 0.016 0.000 0.998 360 V CB 2.175 34.009 31.823 0.019 0.000 1.042 360 V HN 0.372 nan 8.190 nan 0.000 0.433 361 E N 1.189 121.394 120.200 0.008 0.000 2.288 361 E HA 0.670 5.020 4.350 -0.001 0.000 0.268 361 E C -1.409 175.190 176.600 -0.001 0.000 0.885 361 E CA -0.799 55.603 56.400 0.004 0.000 0.767 361 E CB 1.985 31.687 29.700 0.002 0.000 1.220 361 E HN 0.911 nan 8.360 nan 0.000 0.427 362 L N 2.911 124.129 121.223 -0.008 0.000 2.380 362 L HA 0.306 4.646 4.340 -0.001 0.000 0.273 362 L C -0.595 176.248 176.870 -0.046 0.000 1.138 362 L CA 0.271 55.093 54.840 -0.031 0.000 0.832 362 L CB 0.923 42.956 42.059 -0.043 0.000 1.124 362 L HN 0.466 nan 8.230 nan 0.000 0.454 363 D N 3.948 124.316 120.400 -0.053 0.000 2.428 363 D HA 0.067 4.706 4.640 -0.001 0.000 0.221 363 D C 0.775 177.013 176.300 -0.104 0.000 1.123 363 D CA -0.198 53.773 54.000 -0.048 0.000 0.869 363 D CB 0.903 41.697 40.800 -0.011 0.000 1.032 363 D HN 0.551 nan 8.370 nan 0.000 0.506 364 E N 2.762 122.895 120.200 -0.113 0.000 2.065 364 E HA -0.217 4.133 4.350 -0.001 0.000 0.201 364 E C 0.995 177.518 176.600 -0.128 0.000 1.016 364 E CA 1.369 57.663 56.400 -0.176 0.000 0.818 364 E CB 0.120 29.803 29.700 -0.027 0.000 0.749 364 E HN 0.599 nan 8.360 nan 0.000 0.453 365 D N 0.672 121.064 120.400 -0.013 0.000 2.092 365 D HA -0.139 4.500 4.640 -0.001 0.000 0.193 365 D C 1.943 178.248 176.300 0.007 0.000 0.994 365 D CA 1.215 55.227 54.000 0.020 0.000 0.828 365 D CB -0.252 40.533 40.800 -0.024 0.000 0.963 365 D HN 0.183 nan 8.370 nan 0.000 0.450 366 K N -0.118 120.282 120.400 0.000 0.000 2.097 366 K HA -0.088 4.232 4.320 -0.001 0.000 0.205 366 K C 2.053 178.735 176.600 0.136 0.000 1.050 366 K CA 0.210 56.560 56.287 0.104 0.000 0.938 366 K CB -0.181 32.436 32.500 0.195 0.000 0.718 366 K HN 0.027 nan 8.250 nan 0.000 0.442 367 L N 1.303 122.483 121.223 -0.071 0.000 1.970 367 L HA -0.225 4.114 4.340 -0.001 0.000 0.212 367 L C 2.195 178.908 176.870 -0.261 0.000 1.071 367 L CA 1.974 56.661 54.840 -0.255 0.000 0.751 367 L CB -0.669 41.020 42.059 -0.617 0.000 0.889 367 L HN 0.263 nan 8.230 nan 0.000 0.432 368 H N -1.475 117.506 119.070 -0.148 0.000 2.387 368 H HA -0.184 4.372 4.556 -0.001 0.000 0.299 368 H C 2.115 177.427 175.328 -0.027 0.000 1.090 368 H CA 1.862 57.844 56.048 -0.109 0.000 1.332 368 H CB -0.654 29.061 29.762 -0.079 0.000 1.386 368 H HN 0.456 nan 8.280 nan 0.000 0.516 369 F N 1.083 120.985 119.950 -0.081 0.000 2.126 369 F HA -0.245 4.282 4.527 -0.000 0.000 0.299 369 F C 1.617 177.258 175.800 -0.266 0.000 1.096 369 F CA 1.248 59.106 58.000 -0.237 0.000 1.255 369 F CB -0.393 38.341 39.000 -0.444 0.000 0.997 369 F HN -0.000 nan 8.300 nan 0.000 0.479 370 Y N -0.213 120.065 120.300 -0.036 0.000 2.482 370 Y HA 0.173 4.723 4.550 -0.000 0.000 0.270 370 Y C 1.114 176.970 175.900 -0.074 0.000 1.152 370 Y CA -0.013 58.015 58.100 -0.119 0.000 1.292 370 Y CB -1.138 37.318 38.460 -0.007 0.000 1.070 370 Y HN -0.283 nan 8.280 nan 0.000 0.528 371 T N 1.933 116.531 114.554 0.073 0.000 2.871 371 T HA -0.053 4.297 4.350 -0.001 0.000 0.296 371 T C 1.526 176.272 174.700 0.078 0.000 0.998 371 T CA 0.041 62.198 62.100 0.095 0.000 1.162 371 T CB 0.714 69.645 68.868 0.105 0.000 0.947 371 T HN 0.380 nan 8.240 nan 0.000 0.536 372 R N 2.370 122.928 120.500 0.096 0.000 2.088 372 R HA -0.114 4.226 4.340 -0.001 0.000 0.232 372 R C 1.192 177.527 176.300 0.058 0.000 1.136 372 R CA 1.445 57.584 56.100 0.065 0.000 0.926 372 R CB 0.035 30.377 30.300 0.070 0.000 0.837 372 R HN 0.605 nan 8.270 nan 0.000 0.429 373 Q N 0.000 119.851 119.800 0.085 0.000 2.315 373 Q HA 0.000 4.340 4.340 -0.001 0.000 0.214 373 Q CA 0.000 55.847 55.803 0.074 0.000 1.022 373 Q CB 0.000 28.779 28.738 0.068 0.000 1.108 373 Q HN 0.000 nan 8.270 nan 0.000 0.481