============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 65 rings ring int. center anis. iso. PHE 5 1.000 32.934 31.704 66.549 -99.200 -91.000 HIS 14 0.900 44.399 23.445 66.151 -99.200 -91.000 HIS 23 0.900 31.295 31.308 76.565 -99.200 -91.000 PHE 36 1.000 23.058 15.940 67.482 -99.200 -91.000 TRP 61 1.040 23.764 6.705 45.056 -99.200 -91.000 TRP6 61 1.020 25.407 8.282 44.421 -99.200 -91.000 TYR 66 0.840 23.571 14.059 27.971 -99.200 -91.000 HIS 73 0.900 11.724 16.426 26.484 -99.200 -91.000 HIS 93 0.900 27.393 13.519 31.532 -99.200 -91.000 PHE 94 1.000 30.641 12.342 28.443 -99.200 -91.000 TRP 102 1.040 36.854 10.409 25.578 -99.200 -91.000 TRP6 102 1.020 34.896 11.295 26.566 -99.200 -91.000 TYR 109 0.840 48.893 12.278 26.763 -99.200 -91.000 PHE 115 1.000 53.093 7.339 33.907 -99.200 -91.000 TYR 119 0.840 54.781 7.179 38.445 -99.200 -91.000 TYR 124 0.840 47.952 5.678 35.219 -99.200 -91.000 TYR 127 0.840 47.230 16.579 36.858 -99.200 -91.000 TRP 128 1.040 47.813 19.490 31.423 -99.200 -91.000 TRP6 128 1.020 46.053 20.919 32.098 -99.200 -91.000 PHE 147 1.000 19.199 18.390 35.933 -99.200 -91.000 TRP 152 1.040 23.784 24.009 44.245 -99.200 -91.000 TRP6 152 1.020 24.775 24.487 46.337 -99.200 -91.000 PHE 154 1.000 21.167 30.491 39.477 -99.200 -91.000 TRP 161 1.040 24.889 34.854 46.456 -99.200 -91.000 TRP6 161 1.020 26.510 35.859 47.849 -99.200 -91.000 PHE 162 1.000 26.094 28.867 41.645 -99.200 -91.000 TYR 170 0.840 39.711 21.309 40.735 -99.200 -91.000 HIS 189 0.900 36.164 11.709 52.435 -99.200 -91.000 TRP 198 1.040 32.184 23.458 63.601 -99.200 -91.000 TRP6 198 1.020 33.055 21.572 62.473 -99.200 -91.000 TYR 203 0.840 32.121 26.429 54.586 -99.200 -91.000 PHE 207 1.000 27.461 25.046 56.758 -99.200 -91.000 PHE 211 1.000 27.677 26.523 63.195 -99.200 -91.000 TYR 218 0.840 21.812 24.280 56.057 -99.200 -91.000 TRP 221 1.040 19.611 21.353 47.645 -99.200 -91.000 TRP6 221 1.020 21.054 20.335 46.071 -99.200 -91.000 HIS 222 0.900 20.336 31.146 50.386 -99.200 -91.000 HIS 225 0.900 26.943 35.464 52.463 -99.200 -91.000 TYR 232 0.840 41.130 27.860 57.961 -99.200 -91.000 PHE 240 1.000 30.362 26.953 45.339 -99.200 -91.000 PHE 243 1.000 25.041 18.722 42.491 -99.200 -91.000 TRP 246 1.040 33.469 9.059 40.722 -99.200 -91.000 TRP6 246 1.020 32.374 7.165 39.822 -99.200 -91.000 HIS 260 0.900 29.363 2.122 49.722 -99.200 -91.000 TYR 270 0.840 24.154 13.524 63.748 -99.200 -91.000 TRP 300 1.040 33.570 11.657 67.591 -99.200 -91.000 TRP6 300 1.020 33.075 12.392 69.782 -99.200 -91.000 HIS 301 0.900 30.126 12.546 62.887 -99.200 -91.000 TRP 321 1.040 27.176 14.095 38.048 -99.200 -91.000 TRP6 321 1.020 28.795 15.687 37.403 -99.200 -91.000 TRP 322 1.040 30.051 13.530 46.326 -99.200 -91.000 TRP6 322 1.020 31.199 12.291 44.668 -99.200 -91.000 HIS 323 0.900 25.068 20.192 48.786 -99.200 -91.000 HIS 328 0.900 32.914 12.343 49.486 -99.200 -91.000 TRP 339 1.040 39.359 -3.606 33.805 -99.200 -91.000 TRP6 339 1.020 41.582 -2.804 33.748 -99.200 -91.000 TYR 344 0.840 38.498 11.013 40.876 -99.200 -91.000 TYR 357 0.840 42.473 25.949 40.230 -99.200 -91.000 HIS 359 0.900 41.933 34.769 34.832 -99.200 -91.000 PHE 374 1.000 44.831 17.880 41.264 -99.200 -91.000 TYR 379 0.840 55.755 12.131 36.039 -99.200 -91.000 TRP 383 1.040 54.732 13.139 28.642 -99.200 -91.000 TRP6 383 1.020 53.125 11.642 29.506 -99.200 -91.000 PHE 387 1.000 42.146 20.375 24.914 -99.200 -91.000 HIS 395 0.900 29.811 24.959 25.475 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2dbnA1 MET 1 HA 0.06 0.02 0.20 -0.75 4.52 4.05 2dbnA1 MET 1 HB2 0.04 0.01 0.05 -0.04 2.15 2.21 2dbnA1 MET 1 HB3 0.05 -0.08 0.06 -0.04 2.03 2.01 2dbnA1 MET 1 HG2 0.08 0.01 -0.01 -0.04 2.63 2.66 2dbnA1 MET 1 HG3 0.06 0.04 -0.03 -0.04 2.56 2.60 2dbnA1 MET 1 HE3 0.11 0.00 -0.09 -0.04 2.10 2.08 2dbnA1 ALA 2 H -0.05 0.16 0.10 -0.55 8.40 8.07 2dbnA1 ALA 2 HA -0.61 0.19 0.56 -0.75 4.34 3.72 2dbnA1 ALA 2 HB3 -0.18 0.02 0.04 -0.04 1.41 1.26 2dbnA1 SER 3 H -0.14 0.18 -0.03 -0.55 8.46 7.92 2dbnA1 SER 3 HA -0.18 0.07 0.37 -0.75 4.49 3.99 2dbnA1 SER 3 HB2 -0.06 0.02 0.07 -0.04 3.95 3.94 2dbnA1 SER 3 HB3 -0.07 -0.02 0.08 -0.04 3.93 3.88 2dbnA1 THR 4 H -0.11 0.20 -0.75 -0.55 8.28 7.07 2dbnA1 THR 4 HA 0.01 0.05 0.42 -0.75 4.39 4.12 2dbnA1 THR 4 HB 0.10 -0.05 0.07 -0.04 4.32 4.40 2dbnA1 THR 4 HG23 0.05 -0.02 -0.05 -0.04 1.22 1.15 2dbnA1 PHE 5 H -0.47 0.32 -0.22 -0.55 8.34 7.42 2dbnA1 PHE 5 HA 0.01 0.12 0.84 -0.75 4.62 4.84 2dbnA1 PHE 5 HB2 0.01 0.04 0.11 -0.04 3.15 3.27 2dbnA1 PHE 5 HB3 0.01 -0.05 -0.28 -0.04 3.06 2.69 2dbnA1 PHE 5 HD2 0.01 -0.05 -0.20 -0.04 7.28 7.00 2dbnA1 PHE 5 HE2 -0.03 0.15 -0.03 -0.04 7.38 7.43 2dbnA1 PHE 5 HZ -0.11 -0.03 -0.02 -0.04 7.32 7.12 2dbnA1 THR 6 H -0.55 0.32 0.19 -0.55 8.28 7.69 2dbnA1 THR 6 HA 0.03 0.21 0.62 -0.75 4.39 4.49 2dbnA1 THR 6 HB -0.06 -0.04 -0.02 -0.04 4.32 4.16 2dbnA1 THR 6 HG23 -0.45 0.05 -0.10 -0.04 1.22 0.69 2dbnA1 SER 7 H 0.11 0.67 0.28 -0.55 8.46 8.97 2dbnA1 SER 7 HA 0.03 0.02 0.65 -0.75 4.49 4.43 2dbnA1 SER 7 HB2 0.04 0.10 -0.17 -0.04 3.95 3.88 2dbnA1 SER 7 HB3 0.08 0.03 0.04 -0.04 3.93 4.04 2dbnA1 ASP 8 H 0.05 0.14 0.14 -0.55 8.40 8.19 2dbnA1 ASP 8 HA 0.11 0.04 0.50 -0.75 4.63 4.52 2dbnA1 ASP 8 HB2 0.05 -0.01 0.09 -0.04 2.71 2.79 2dbnA1 ASP 8 HB3 0.06 0.04 0.09 -0.04 2.70 2.85 2dbnA1 THR 9 H 0.07 0.07 -0.33 -0.55 8.28 7.55 2dbnA1 THR 9 HA 0.23 0.22 0.78 -0.75 4.39 4.86 2dbnA1 THR 9 HB -0.01 -0.04 0.09 -0.04 4.32 4.32 2dbnA1 THR 9 HG23 0.07 -0.00 -0.19 -0.04 1.22 1.05 2dbnA1 LEU 10 H -0.32 0.07 0.09 -0.55 8.37 7.66 2dbnA1 LEU 10 HA -1.12 0.06 0.34 -0.75 4.35 2.88 2dbnA1 LEU 10 HB2 -0.42 -0.08 0.08 -0.04 1.64 1.19 2dbnA1 LEU 10 HB3 -0.20 0.01 0.10 -0.04 1.64 1.50 2dbnA1 LEU 10 HG -0.16 0.20 -0.24 -0.04 1.64 1.39 2dbnA1 LEU 10 HD13 -0.24 -0.02 0.01 -0.04 0.93 0.64 2dbnA1 LEU 10 HD23 -0.08 -0.01 -0.05 -0.04 0.89 0.71 2dbnA1 PRO 11 HA -0.04 0.06 0.47 -0.51 4.44 4.42 2dbnA1 PRO 11 HB2 0.02 -0.08 -0.19 -0.04 2.28 1.99 2dbnA1 PRO 11 HB3 0.02 0.17 0.05 -0.04 2.02 2.21 2dbnA1 PRO 11 HG2 0.05 -0.13 -0.01 -0.04 2.03 1.90 2dbnA1 PRO 11 HG3 0.07 0.11 0.04 -0.04 2.03 2.21 2dbnA1 PRO 11 HD2 -0.28 -0.02 0.17 -0.04 3.68 3.51 2dbnA1 PRO 11 HD3 -0.14 0.27 0.14 -0.04 3.65 3.88 2dbnA1 ALA 12 H -0.01 0.16 0.14 -0.55 8.40 8.13 2dbnA1 ALA 12 HA -0.01 0.12 0.40 -0.75 4.34 4.09 2dbnA1 ALA 12 HB3 -0.00 0.01 0.10 -0.04 1.41 1.47 2dbnA1 ASP 13 H 0.01 0.12 -0.30 -0.55 8.40 7.69 2dbnA1 ASP 13 HA 0.02 0.20 0.83 -0.75 4.63 4.93 2dbnA1 ASP 13 HB2 -0.01 0.07 -0.04 -0.04 2.71 2.69 2dbnA1 ASP 13 HB3 -0.01 0.01 0.18 -0.04 2.70 2.84 2dbnA1 HIS 14 H 0.25 0.31 -0.05 -0.55 8.41 8.37 2dbnA1 HIS 14 HA -0.01 0.10 0.41 -0.75 4.63 4.38 2dbnA1 HIS 14 HB2 0.00 0.03 0.07 -0.04 3.26 3.33 2dbnA1 HIS 14 HB3 -0.02 0.11 0.09 -0.04 3.20 3.33 2dbnA1 HIS 14 HD2 -0.03 0.06 -0.10 -0.04 6.97 6.85 2dbnA1 HIS 14 HE1 -0.02 0.02 0.04 -0.04 7.75 7.75 2dbnA1 LYS 15 H -0.57 0.08 -0.13 -0.55 8.42 7.25 2dbnA1 LYS 15 HA -0.29 0.24 0.47 -0.75 4.32 3.98 2dbnA1 LYS 15 HB2 -0.24 -0.06 0.08 -0.04 1.87 1.60 2dbnA1 LYS 15 HB3 -0.19 0.02 0.02 -0.04 1.79 1.60 2dbnA1 LYS 15 HG2 -0.34 0.17 0.06 -0.04 1.46 1.31 2dbnA1 LYS 15 HG3 -0.81 -0.06 0.06 -0.04 1.46 0.61 2dbnA1 LYS 15 HD2 -0.15 -0.02 0.02 -0.04 1.69 1.50 2dbnA1 LYS 15 HD3 -0.13 -0.02 0.01 -0.04 1.68 1.50 2dbnA1 LYS 15 HE2 -0.06 0.05 -0.02 -0.04 2.99 2.92 2dbnA1 LYS 15 HE3 -0.05 0.00 0.01 -0.04 2.99 2.91 2dbnA1 ALA 16 H -0.11 0.09 -0.24 -0.55 8.40 7.59 2dbnA1 ALA 16 HA -0.07 0.07 0.45 -0.75 4.34 4.04 2dbnA1 ALA 16 HB3 -0.04 0.03 0.08 -0.04 1.41 1.45 2dbnA1 ALA 17 H -0.02 0.31 -0.18 -0.55 8.40 7.97 2dbnA1 ALA 17 HA 0.06 0.08 0.48 -0.75 4.34 4.20 2dbnA1 ALA 17 HB3 0.08 0.05 0.12 -0.04 1.41 1.62 2dbnA1 ILE 18 H -0.06 0.44 -0.21 -0.55 8.25 7.87 2dbnA1 ILE 18 HA -0.13 0.03 0.41 -0.75 4.18 3.74 2dbnA1 ILE 18 HB -0.14 0.06 0.21 -0.04 1.89 1.99 2dbnA1 ILE 18 HG12 -0.13 -0.05 -0.01 -0.04 1.49 1.25 2dbnA1 ILE 18 HG13 -0.02 0.16 0.09 -0.04 1.21 1.39 2dbnA1 ILE 18 HG23 -0.23 0.03 -0.21 -0.04 0.93 0.48 2dbnA1 ILE 18 HD13 -0.07 -0.04 -0.10 -0.04 0.88 0.63 2dbnA1 ARG 19 H -0.09 0.45 -0.11 -0.55 8.46 8.15 2dbnA1 ARG 19 HA -0.10 0.12 0.43 -0.75 4.34 4.03 2dbnA1 ARG 19 HB2 -0.07 0.06 0.17 -0.04 1.90 2.03 2dbnA1 ARG 19 HB3 -0.07 -0.07 0.03 -0.04 1.80 1.64 2dbnA1 ARG 19 HG2 -0.09 0.09 -0.11 -0.04 1.67 1.51 2dbnA1 ARG 19 HG3 -0.10 0.28 0.04 -0.04 1.67 1.84 2dbnA1 ARG 19 HD2 -0.07 -0.02 -0.02 -0.04 3.22 3.07 2dbnA1 ARG 19 HD3 -0.07 -0.10 -0.10 -0.04 3.22 2.91 2dbnA1 GLN 20 H -0.04 0.50 -0.15 -0.55 8.47 8.23 2dbnA1 GLN 20 HA 0.01 -0.02 0.47 -0.75 4.36 4.07 2dbnA1 GLN 20 HB2 0.03 -0.05 0.12 -0.04 2.15 2.21 2dbnA1 GLN 20 HB3 0.07 0.13 0.15 -0.04 2.02 2.33 2dbnA1 GLN 20 HG2 0.12 0.14 -0.01 -0.04 2.40 2.61 2dbnA1 GLN 20 HG3 0.22 -0.02 -0.31 -0.04 2.39 2.24 2dbnA1 GLN 20 HE21 0.22 -0.03 0.01 -0.04 6.97 7.13 2dbnA1 GLN 20 HE22 0.20 0.04 -0.04 -0.04 7.69 7.85 2dbnA1 MET 21 H -0.16 0.57 -0.19 -0.55 8.47 8.14 2dbnA1 MET 21 HA -1.46 -0.03 0.39 -0.75 4.52 2.67 2dbnA1 MET 21 HB2 -0.42 0.06 0.08 -0.04 2.15 1.82 2dbnA1 MET 21 HB3 -0.32 0.13 0.18 -0.04 2.03 1.98 2dbnA1 MET 21 HG2 -1.16 -0.07 -0.01 -0.04 2.63 1.35 2dbnA1 MET 21 HG3 -0.25 0.01 -0.11 -0.04 2.56 2.16 2dbnA1 MET 21 HE3 -0.43 0.01 -0.06 -0.04 2.10 1.57 2dbnA1 LYS 22 H -0.21 0.63 -0.15 -0.55 8.42 8.13 2dbnA1 LYS 22 HA -0.18 0.01 0.38 -0.75 4.32 3.77 2dbnA1 LYS 22 HB2 -0.11 0.09 0.17 -0.04 1.87 1.98 2dbnA1 LYS 22 HB3 -0.10 -0.05 0.02 -0.04 1.79 1.61 2dbnA1 LYS 22 HG2 -0.19 -0.05 -0.03 -0.04 1.46 1.15 2dbnA1 LYS 22 HG3 -0.22 0.14 0.05 -0.04 1.46 1.39 2dbnA1 LYS 22 HD2 -0.14 -0.02 0.03 -0.04 1.69 1.52 2dbnA1 LYS 22 HD3 -0.14 -0.03 0.02 -0.04 1.68 1.48 2dbnA1 LYS 22 HE2 -0.26 0.02 -0.01 -0.04 2.99 2.70 2dbnA1 LYS 22 HE3 -0.27 -0.11 -0.06 -0.04 2.99 2.51 2dbnA1 HIS 23 H -0.01 0.47 -0.14 -0.55 8.41 8.19 2dbnA1 HIS 23 HA -0.06 0.00 0.44 -0.75 4.63 4.25 2dbnA1 HIS 23 HB2 -0.06 0.01 0.14 -0.04 3.26 3.32 2dbnA1 HIS 23 HB3 -0.05 0.09 0.19 -0.04 3.20 3.38 2dbnA1 HIS 23 HD2 -0.03 -0.01 0.04 -0.04 6.97 6.93 2dbnA1 HIS 23 HE1 -0.00 -0.03 -0.03 -0.04 7.75 7.65 2dbnA1 ALA 24 H -0.06 0.68 -0.06 -0.55 8.40 8.41 2dbnA1 ALA 24 HA -0.12 -0.03 0.44 -0.75 4.34 3.88 2dbnA1 ALA 24 HB3 0.05 0.01 0.10 -0.04 1.41 1.54 2dbnA1 LEU 25 H -0.23 0.74 -0.01 -0.55 8.37 8.33 2dbnA1 LEU 25 HA -0.02 0.03 0.52 -0.75 4.35 4.12 2dbnA1 LEU 25 HB2 -0.16 0.10 0.11 -0.04 1.64 1.65 2dbnA1 LEU 25 HB3 -0.01 -0.03 0.05 -0.04 1.64 1.61 2dbnA1 LEU 25 HG -0.47 0.12 0.10 -0.04 1.64 1.34 2dbnA1 LEU 25 HD13 -0.63 -0.00 -0.02 -0.04 0.93 0.23 2dbnA1 LEU 25 HD23 0.01 -0.02 -0.04 -0.04 0.89 0.80 2dbnA1 ARG 26 H -0.11 0.68 -0.09 -0.55 8.46 8.40 2dbnA1 ARG 26 HA -0.03 -0.04 0.46 -0.75 4.34 3.98 2dbnA1 ARG 26 HB2 -0.09 0.17 0.20 -0.04 1.90 2.14 2dbnA1 ARG 26 HB3 -0.05 -0.12 0.03 -0.04 1.80 1.62 2dbnA1 ARG 26 HG2 -0.04 -0.07 0.10 -0.04 1.67 1.62 2dbnA1 ARG 26 HG3 -0.06 0.02 0.14 -0.04 1.67 1.73 2dbnA1 ARG 26 HD2 -0.05 0.02 -0.11 -0.04 3.22 3.04 2dbnA1 ARG 26 HD3 -0.04 -0.13 0.00 -0.04 3.22 3.01 2dbnA1 ALA 27 H -0.15 0.44 -0.33 -0.55 8.40 7.82 2dbnA1 ALA 27 HA -0.08 -0.01 0.47 -0.75 4.34 3.96 2dbnA1 ALA 27 HB3 -0.18 0.04 0.14 -0.04 1.41 1.37 2dbnA1 GLN 28 H -0.03 0.43 -0.06 -0.55 8.47 8.26 2dbnA1 GLN 28 HA 0.01 -0.03 0.43 -0.75 4.36 4.01 2dbnA1 GLN 28 HB2 0.03 -0.03 0.14 -0.04 2.15 2.25 2dbnA1 GLN 28 HB3 0.04 0.16 0.20 -0.04 2.02 2.39 2dbnA1 GLN 28 HG2 0.06 0.05 -0.06 -0.04 2.40 2.40 2dbnA1 GLN 28 HG3 0.04 -0.09 0.08 -0.04 2.39 2.38 2dbnA1 GLN 28 HE21 0.07 -0.06 -0.04 -0.04 6.97 6.90 2dbnA1 GLN 28 HE22 0.05 -0.04 0.00 -0.04 7.69 7.66 2dbnA1 LEU 29 H 0.01 0.59 -0.17 -0.55 8.37 8.26 2dbnA1 LEU 29 HA 0.04 0.07 0.34 -0.75 4.35 4.04 2dbnA1 LEU 29 HB2 0.02 0.07 0.09 -0.04 1.64 1.78 2dbnA1 LEU 29 HB3 0.04 -0.24 -0.11 -0.04 1.64 1.29 2dbnA1 LEU 29 HG 0.09 0.27 0.03 -0.04 1.64 1.99 2dbnA1 LEU 29 HD13 0.10 -0.04 -0.08 -0.04 0.93 0.87 2dbnA1 LEU 29 HD23 0.07 -0.03 -0.22 -0.04 0.89 0.67 2dbnA1 GLY 30 H -0.01 0.54 -0.28 -0.55 8.43 8.14 2dbnA1 GLY 30 HA2 -0.01 0.06 0.40 -0.51 4.01 3.95 2dbnA1 GLY 30 HA3 0.00 0.06 0.48 -0.51 4.01 4.05 2dbnA1 ASP 31 H 0.01 0.58 -0.16 -0.55 8.40 8.29 2dbnA1 ASP 31 HA 0.00 0.18 0.86 -0.75 4.63 4.92 2dbnA1 ASP 31 HB2 0.01 0.09 -0.02 -0.04 2.71 2.74 2dbnA1 ASP 31 HB3 0.02 0.02 0.22 -0.04 2.70 2.92 2dbnA1 VAL 32 H 0.01 0.32 -0.16 -0.55 8.24 7.86 2dbnA1 VAL 32 HA 0.04 0.09 0.30 -0.75 4.13 3.81 2dbnA1 VAL 32 HB 0.01 0.10 0.05 -0.04 2.12 2.24 2dbnA1 VAL 32 HG13 -0.03 0.06 -0.08 -0.04 0.97 0.88 2dbnA1 VAL 32 HG23 0.04 0.01 -0.08 -0.04 0.95 0.88 2dbnA1 GLN 33 H 0.01 0.12 -0.26 -0.55 8.47 7.79 2dbnA1 GLN 33 HA 0.03 0.10 0.38 -0.75 4.36 4.12 2dbnA1 GLN 33 HB2 -0.01 0.02 0.10 -0.04 2.15 2.22 2dbnA1 GLN 33 HB3 0.01 -0.01 0.06 -0.04 2.02 2.05 2dbnA1 GLN 33 HG2 0.01 0.02 -0.01 -0.04 2.40 2.38 2dbnA1 GLN 33 HG3 0.04 -0.00 -0.17 -0.04 2.39 2.22 2dbnA1 GLN 33 HE21 0.06 0.05 0.01 -0.04 6.97 7.04 2dbnA1 GLN 33 HE22 0.11 -0.05 0.05 -0.04 7.69 7.75 2dbnA1 GLN 34 H 0.03 0.21 -0.14 -0.55 8.47 8.02 2dbnA1 GLN 34 HA 0.04 0.03 0.46 -0.75 4.36 4.14 2dbnA1 GLN 34 HB2 0.02 -0.03 0.13 -0.04 2.15 2.23 2dbnA1 GLN 34 HB3 0.02 0.16 0.16 -0.04 2.02 2.32 2dbnA1 GLN 34 HG2 0.02 0.01 -0.13 -0.04 2.40 2.26 2dbnA1 GLN 34 HG3 0.02 -0.03 0.06 -0.04 2.39 2.40 2dbnA1 GLN 34 HE21 0.01 0.01 0.01 -0.04 6.97 6.95 2dbnA1 GLN 34 HE22 0.01 0.00 -0.02 -0.04 7.69 7.64 2dbnA1 ILE 35 H 0.05 0.44 -0.10 -0.55 8.25 8.09 2dbnA1 ILE 35 HA 0.02 0.02 0.46 -0.75 4.18 3.93 2dbnA1 ILE 35 HB 0.06 0.08 0.14 -0.04 1.89 2.13 2dbnA1 ILE 35 HG12 0.02 0.00 0.10 -0.04 1.49 1.58 2dbnA1 ILE 35 HG13 0.03 -0.01 0.07 -0.04 1.21 1.26 2dbnA1 ILE 35 HG23 0.02 0.00 -0.04 -0.04 0.93 0.87 2dbnA1 ILE 35 HD13 0.03 0.00 -0.03 -0.04 0.88 0.84 2dbnA1 PHE 36 H 0.17 0.67 -0.13 -0.55 8.34 8.50 2dbnA1 PHE 36 HA -0.05 0.02 0.42 -0.75 4.62 4.25 2dbnA1 PHE 36 HB2 -0.06 0.12 0.08 -0.04 3.15 3.25 2dbnA1 PHE 36 HB3 -0.05 0.05 0.13 -0.04 3.06 3.15 2dbnA1 PHE 36 HD2 -0.12 0.01 -0.13 -0.04 7.28 7.00 2dbnA1 PHE 36 HE2 -0.36 0.09 0.01 -0.04 7.38 7.08 2dbnA1 PHE 36 HZ -1.50 0.02 0.01 -0.04 7.32 5.81 2dbnA1 ASN 37 H 0.13 0.56 -0.13 -0.55 8.53 8.54 2dbnA1 ASN 37 HA 0.06 0.01 0.45 -0.75 4.76 4.51 2dbnA1 ASN 37 HB2 0.05 0.13 0.23 -0.04 2.88 3.25 2dbnA1 ASN 37 HB3 0.04 -0.06 0.03 -0.04 2.79 2.76 2dbnA1 ASN 37 HD21 0.06 -0.05 -0.03 -0.04 7.03 6.96 2dbnA1 ASN 37 HD22 0.04 -0.04 -0.01 -0.04 7.74 7.70 2dbnA1 GLN 38 H 0.01 0.55 -0.12 -0.55 8.47 8.36 2dbnA1 GLN 38 HA -0.01 0.00 0.45 -0.75 4.36 4.05 2dbnA1 GLN 38 HB2 0.00 0.02 0.14 -0.04 2.15 2.28 2dbnA1 GLN 38 HB3 -0.01 0.15 0.18 -0.04 2.02 2.30 2dbnA1 GLN 38 HG2 -0.00 -0.00 0.02 -0.04 2.40 2.37 2dbnA1 GLN 38 HG3 -0.01 -0.01 -0.16 -0.04 2.39 2.16 2dbnA1 GLN 38 HE21 -0.00 -0.00 0.02 -0.04 6.97 6.94 2dbnA1 GLN 38 HE22 -0.01 -0.02 0.02 -0.04 7.69 7.64 2dbnA1 LEU 39 H -0.08 0.58 -0.12 -0.55 8.37 8.20 2dbnA1 LEU 39 HA -0.06 0.00 0.44 -0.75 4.35 3.98 2dbnA1 LEU 39 HB2 -0.09 0.04 0.11 -0.04 1.64 1.65 2dbnA1 LEU 39 HB3 -0.26 0.12 0.18 -0.04 1.64 1.64 2dbnA1 LEU 39 HG -0.12 -0.04 -0.25 -0.04 1.64 1.19 2dbnA1 LEU 39 HD13 -0.05 -0.02 0.01 -0.04 0.93 0.84 2dbnA1 LEU 39 HD23 -0.14 -0.02 -0.22 -0.04 0.89 0.47 2dbnA1 SER 40 H -0.22 0.66 -0.18 -0.55 8.46 8.17 2dbnA1 SER 40 HA -0.03 -0.02 0.42 -0.75 4.49 4.09 2dbnA1 SER 40 HB2 -0.06 0.16 0.21 -0.04 3.95 4.21 2dbnA1 SER 40 HB3 0.02 -0.09 0.02 -0.04 3.93 3.84 2dbnA1 ASP 41 H -0.04 0.52 -0.18 -0.55 8.40 8.16 2dbnA1 ASP 41 HA -0.00 -0.00 0.44 -0.75 4.63 4.31 2dbnA1 ASP 41 HB2 -0.01 0.16 0.21 -0.04 2.71 3.03 2dbnA1 ASP 41 HB3 -0.01 -0.06 0.03 -0.04 2.70 2.62 2dbnA1 ASP 42 H -0.03 0.50 -0.16 -0.55 8.40 8.17 2dbnA1 ASP 42 HA -0.01 0.01 0.46 -0.75 4.63 4.33 2dbnA1 ASP 42 HB2 -0.03 0.12 0.18 -0.04 2.71 2.94 2dbnA1 ASP 42 HB3 -0.02 -0.03 0.03 -0.04 2.70 2.64 2dbnA1 ILE 43 H -0.03 0.66 -0.05 -0.55 8.25 8.28 2dbnA1 ILE 43 HA -0.04 0.03 0.45 -0.75 4.18 3.87 2dbnA1 ILE 43 HB -0.04 0.09 0.13 -0.04 1.89 2.03 2dbnA1 ILE 43 HG12 -0.05 -0.05 -0.06 -0.04 1.49 1.29 2dbnA1 ILE 43 HG13 -0.03 0.13 0.04 -0.04 1.21 1.30 2dbnA1 ILE 43 HG23 -0.10 -0.02 -0.12 -0.04 0.93 0.64 2dbnA1 ILE 43 HD13 -0.01 -0.02 -0.06 -0.04 0.88 0.75 2dbnA1 ALA 44 H -0.02 0.59 -0.26 -0.55 8.40 8.16 2dbnA1 ALA 44 HA -0.02 -0.02 0.38 -0.75 4.34 3.94 2dbnA1 ALA 44 HB3 -0.00 0.05 0.12 -0.04 1.41 1.53 2dbnA1 THR 45 H -0.01 0.44 -0.34 -0.55 8.28 7.81 2dbnA1 THR 45 HA -0.01 -0.01 0.43 -0.75 4.39 4.06 2dbnA1 THR 45 HB -0.01 -0.08 0.08 -0.04 4.32 4.28 2dbnA1 THR 45 HG23 -0.01 0.06 0.10 -0.04 1.22 1.33 2dbnA1 ARG 46 H -0.02 0.38 -0.24 -0.55 8.46 8.02 2dbnA1 ARG 46 HA -0.01 0.03 0.54 -0.75 4.34 4.13 2dbnA1 ARG 46 HB2 -0.03 0.16 0.19 -0.04 1.90 2.18 2dbnA1 ARG 46 HB3 -0.03 0.05 0.07 -0.04 1.80 1.85 2dbnA1 ARG 46 HG2 -0.02 0.08 0.11 -0.04 1.67 1.80 2dbnA1 ARG 46 HG3 -0.03 -0.03 0.08 -0.04 1.67 1.66 2dbnA1 ARG 46 HD2 -0.02 0.08 0.07 -0.04 3.22 3.31 2dbnA1 ARG 46 HD3 -0.01 -0.07 -0.02 -0.04 3.22 3.07 2dbnA1 VAL 47 H -0.02 0.46 -0.03 -0.55 8.24 8.10 2dbnA1 VAL 47 HA -0.02 0.07 0.40 -0.75 4.13 3.83 2dbnA1 VAL 47 HB -0.02 0.06 0.14 -0.04 2.12 2.26 2dbnA1 VAL 47 HG13 -0.01 -0.01 -0.11 -0.04 0.97 0.80 2dbnA1 VAL 47 HG23 -0.04 0.06 -0.01 -0.04 0.95 0.91 2dbnA1 ALA 48 H -0.01 0.57 -0.27 -0.55 8.40 8.14 2dbnA1 ALA 48 HA 0.00 -0.01 0.40 -0.75 4.34 3.98 2dbnA1 ALA 48 HB3 -0.00 0.04 0.11 -0.04 1.41 1.51 2dbnA1 GLU 49 H -0.00 0.46 -0.16 -0.55 8.60 8.34 2dbnA1 GLU 49 HA 0.00 -0.04 0.43 -0.75 4.29 3.93 2dbnA1 GLU 49 HB2 -0.00 0.20 0.23 -0.04 2.09 2.47 2dbnA1 GLU 49 HB3 0.00 -0.05 0.05 -0.04 1.99 1.95 2dbnA1 GLU 49 HG2 -0.00 -0.10 0.07 -0.04 2.34 2.27 2dbnA1 GLU 49 HG3 -0.00 0.28 0.17 -0.04 2.34 2.74 2dbnA1 ILE 50 H -0.00 0.60 -0.14 -0.55 8.25 8.16 2dbnA1 ILE 50 HA 0.01 0.01 0.45 -0.75 4.18 3.90 2dbnA1 ILE 50 HB -0.00 0.10 0.20 -0.04 1.89 2.15 2dbnA1 ILE 50 HG12 -0.02 -0.04 0.05 -0.04 1.49 1.45 2dbnA1 ILE 50 HG13 -0.01 0.05 0.09 -0.04 1.21 1.30 2dbnA1 ILE 50 HG23 0.02 0.00 -0.08 -0.04 0.93 0.83 2dbnA1 ILE 50 HD13 -0.04 0.02 -0.09 -0.04 0.88 0.74 2dbnA1 ASN 51 H 0.01 0.63 -0.08 -0.55 8.53 8.55 2dbnA1 ASN 51 HA 0.02 0.04 0.48 -0.75 4.76 4.54 2dbnA1 ASN 51 HB2 0.01 0.08 0.15 -0.04 2.88 3.08 2dbnA1 ASN 51 HB3 0.01 -0.09 0.03 -0.04 2.79 2.70 2dbnA1 ASN 51 HD21 0.01 -0.01 -0.05 -0.04 7.03 6.94 2dbnA1 ASN 51 HD22 0.01 -0.06 -0.06 -0.04 7.74 7.58 2dbnA1 ALA 52 H 0.01 0.52 -0.27 -0.55 8.40 8.12 2dbnA1 ALA 52 HA 0.01 -0.01 0.49 -0.75 4.34 4.08 2dbnA1 ALA 52 HB3 0.01 0.03 0.12 -0.04 1.41 1.52 2dbnA1 LEU 53 H 0.02 0.57 -0.10 -0.55 8.37 8.30 2dbnA1 LEU 53 HA 0.02 -0.06 0.41 -0.75 4.35 3.97 2dbnA1 LEU 53 HB2 0.03 0.14 0.15 -0.04 1.64 1.92 2dbnA1 LEU 53 HB3 0.04 0.09 -0.21 -0.04 1.64 1.51 2dbnA1 LEU 53 HG 0.02 0.10 0.07 -0.04 1.64 1.79 2dbnA1 LEU 53 HD13 0.03 0.01 -0.01 -0.04 0.93 0.91 2dbnA1 LEU 53 HD23 0.02 -0.02 -0.04 -0.04 0.89 0.82 2dbnA1 LYS 54 H 0.03 0.57 -0.12 -0.55 8.42 8.35 2dbnA1 LYS 54 HA 0.04 0.07 0.38 -0.75 4.32 4.06 2dbnA1 LYS 54 HB2 0.03 0.07 0.15 -0.04 1.87 2.08 2dbnA1 LYS 54 HB3 0.04 -0.07 0.03 -0.04 1.79 1.74 2dbnA1 LYS 54 HG2 0.05 -0.07 0.04 -0.04 1.46 1.44 2dbnA1 LYS 54 HG3 0.04 0.22 0.09 -0.04 1.46 1.77 2dbnA1 LYS 54 HD2 0.04 0.00 -0.05 -0.04 1.69 1.63 2dbnA1 LYS 54 HD3 0.05 -0.07 0.01 -0.04 1.68 1.63 2dbnA1 LYS 54 HE2 0.07 -0.11 0.03 -0.04 2.99 2.94 2dbnA1 LYS 54 HE3 0.05 0.01 -0.04 -0.04 2.99 2.97 2dbnA1 ALA 55 H 0.02 0.47 -0.30 -0.55 8.40 8.05 2dbnA1 ALA 55 HA 0.02 -0.00 0.43 -0.75 4.34 4.04 2dbnA1 ALA 55 HB3 0.01 0.02 0.14 -0.04 1.41 1.54 2dbnA1 GLN 56 H 0.02 0.42 -0.30 -0.55 8.47 8.05 2dbnA1 GLN 56 HA 0.01 0.06 0.61 -0.75 4.36 4.30 2dbnA1 GLN 56 HB2 0.02 0.08 0.15 -0.04 2.15 2.36 2dbnA1 GLN 56 HB3 0.02 -0.09 0.15 -0.04 2.02 2.05 2dbnA1 GLN 56 HG2 0.01 0.15 0.04 -0.04 2.40 2.57 2dbnA1 GLN 56 HG3 0.01 -0.06 0.02 -0.04 2.39 2.31 2dbnA1 GLN 56 HE21 0.01 -0.06 -0.01 -0.04 6.97 6.88 2dbnA1 GLN 56 HE22 0.01 0.01 -0.01 -0.04 7.69 7.65 2dbnA1 GLY 57 H 0.02 0.39 -0.54 -0.55 8.43 7.75 2dbnA1 GLY 57 HA2 0.03 0.05 0.31 -0.51 4.01 3.89 2dbnA1 GLY 57 HA3 0.02 -0.02 0.45 -0.51 4.01 3.95 2dbnA1 ASP 58 H 0.03 0.18 -0.41 -0.55 8.40 7.65 2dbnA1 ASP 58 HA 0.03 -0.00 0.49 -0.75 4.63 4.39 2dbnA1 ASP 58 HB2 0.03 0.03 0.05 -0.04 2.71 2.79 2dbnA1 ASP 58 HB3 0.03 -0.00 0.03 -0.04 2.70 2.72 2dbnA1 ALA 59 H 0.04 0.02 0.13 -0.55 8.40 8.05 2dbnA1 ALA 59 HA 0.08 0.03 0.40 -0.75 4.34 4.10 2dbnA1 ALA 59 HB3 0.08 0.01 0.07 -0.04 1.41 1.53 2dbnA1 VAL 60 H 0.16 0.03 0.16 -0.55 8.24 8.04 2dbnA1 VAL 60 HA 0.07 0.14 0.69 -0.75 4.13 4.28 2dbnA1 VAL 60 HB 0.20 -0.05 0.12 -0.04 2.12 2.35 2dbnA1 VAL 60 HG13 0.00 0.01 -0.07 -0.04 0.97 0.87 2dbnA1 VAL 60 HG23 0.07 0.03 -0.03 -0.04 0.95 0.98 2dbnA1 TRP 61 H 0.47 0.00 0.08 -0.55 7.97 7.98 2dbnA1 TRP 61 HA 0.06 0.15 0.37 -0.75 4.62 4.44 2dbnA1 TRP 61 HB2 0.03 -0.10 0.07 -0.04 3.23 3.19 2dbnA1 TRP 61 HB3 0.05 0.03 -0.15 -0.04 3.23 3.13 2dbnA1 TRP 61 HD1 -0.01 -0.06 -0.03 -0.04 7.22 7.09 2dbnA1 TRP 61 HE1 -0.06 0.28 -0.41 -0.04 10.20 9.97 2dbnA1 TRP 61 HE3 0.10 -0.06 -0.24 -0.04 7.59 7.34 2dbnA1 TRP 61 HZ2 -0.13 0.00 -0.25 -0.04 7.44 7.02 2dbnA1 TRP 61 HZ3 0.16 -0.02 0.02 -0.04 7.13 7.25 2dbnA1 TRP 61 HH2 -0.14 -0.02 -0.20 -0.04 7.19 6.79 2dbnA1 PRO 62 HA 0.12 0.03 0.41 -0.51 4.44 4.49 2dbnA1 PRO 62 HB2 0.15 -0.04 0.11 -0.04 2.28 2.45 2dbnA1 PRO 62 HB3 0.09 -0.04 0.03 -0.04 2.02 2.05 2dbnA1 PRO 62 HG2 0.09 0.07 -0.04 -0.04 2.03 2.10 2dbnA1 PRO 62 HG3 0.07 0.07 -0.01 -0.04 2.03 2.11 2dbnA1 PRO 62 HD2 0.14 0.17 -0.00 -0.04 3.68 3.95 2dbnA1 PRO 62 HD3 0.03 0.23 0.22 -0.04 3.65 4.09 2dbnA1 VAL 63 H 0.09 0.17 0.18 -0.55 8.24 8.12 2dbnA1 VAL 63 HA 0.11 0.23 1.12 -0.75 4.13 4.84 2dbnA1 VAL 63 HB 0.06 -0.04 0.17 -0.04 2.12 2.26 2dbnA1 VAL 63 HG13 0.04 -0.03 -0.12 -0.04 0.97 0.81 2dbnA1 VAL 63 HG23 0.09 0.07 -0.10 -0.04 0.95 0.98 2dbnA1 LEU 64 H 0.05 0.76 0.37 -0.55 8.37 9.01 2dbnA1 LEU 64 HA -0.02 0.15 0.98 -0.75 4.35 4.70 2dbnA1 LEU 64 HB2 -0.07 0.04 -0.00 -0.04 1.64 1.57 2dbnA1 LEU 64 HB3 -0.15 -0.02 -0.01 -0.04 1.64 1.42 2dbnA1 LEU 64 HG -0.02 -0.03 -0.09 -0.04 1.64 1.46 2dbnA1 LEU 64 HD13 0.07 -0.01 -0.38 -0.04 0.93 0.57 2dbnA1 LEU 64 HD23 -0.12 0.01 -0.14 -0.04 0.89 0.59 2dbnA1 SER 65 H -0.06 0.14 0.18 -0.55 8.46 8.17 2dbnA1 SER 65 HA 0.00 0.19 0.84 -0.75 4.49 4.77 2dbnA1 SER 65 HB2 -0.01 0.02 0.11 -0.04 3.95 4.03 2dbnA1 SER 65 HB3 -0.02 0.11 0.09 -0.04 3.93 4.07 2dbnA1 TYR 66 H 0.08 0.76 0.18 -0.55 8.29 8.76 2dbnA1 TYR 66 HA -0.21 0.07 0.37 -0.75 4.56 4.04 2dbnA1 TYR 66 HB2 -0.12 -0.02 -0.21 -0.04 3.06 2.66 2dbnA1 TYR 66 HB3 -0.06 0.16 -0.08 -0.04 2.98 2.95 2dbnA1 TYR 66 HD2 -0.20 0.01 -0.05 -0.04 7.15 6.87 2dbnA1 TYR 66 HE2 -0.06 0.02 -0.01 -0.04 6.85 6.75 2dbnA1 ALA 67 H -0.04 0.13 -0.18 -0.55 8.40 7.76 2dbnA1 ALA 67 HA -0.21 0.10 0.32 -0.75 4.34 3.79 2dbnA1 ALA 67 HB3 -0.04 0.02 0.02 -0.04 1.41 1.37 2dbnA1 ASP 68 H -0.15 0.14 -0.42 -0.55 8.40 7.43 2dbnA1 ASP 68 HA -0.10 0.08 0.39 -0.75 4.63 4.25 2dbnA1 ASP 68 HB2 -0.14 0.11 0.07 -0.04 2.71 2.70 2dbnA1 ASP 68 HB3 -0.10 -0.02 -0.29 -0.04 2.70 2.25 2dbnA1 ILE 69 H -0.37 0.32 -0.17 -0.55 8.25 7.48 2dbnA1 ILE 69 HA -0.41 0.01 0.40 -0.75 4.18 3.42 2dbnA1 ILE 69 HB -0.53 0.07 0.15 -0.04 1.89 1.54 2dbnA1 ILE 69 HG12 -1.02 0.01 -0.04 -0.04 1.49 0.39 2dbnA1 ILE 69 HG13 -0.48 0.01 -0.03 -0.04 1.21 0.66 2dbnA1 ILE 69 HG23 -0.24 0.01 -0.24 -0.04 0.93 0.41 2dbnA1 ILE 69 HD13 -0.38 -0.00 -0.11 -0.04 0.88 0.35 2dbnA1 LYS 70 H -0.75 0.70 -0.07 -0.55 8.42 7.74 2dbnA1 LYS 70 HA -0.28 0.04 0.37 -0.75 4.32 3.69 2dbnA1 LYS 70 HB2 -0.91 -0.02 0.04 -0.04 1.87 0.94 2dbnA1 LYS 70 HB3 -0.42 0.06 0.10 -0.04 1.79 1.49 2dbnA1 LYS 70 HG2 -0.13 0.03 -0.23 -0.04 1.46 1.09 2dbnA1 LYS 70 HG3 -0.06 -0.03 0.01 -0.04 1.46 1.34 2dbnA1 LYS 70 HD2 0.10 -0.02 -0.03 -0.04 1.69 1.70 2dbnA1 LYS 70 HD3 -0.06 -0.01 -0.04 -0.04 1.68 1.53 2dbnA1 LYS 70 HE2 0.05 -0.02 -0.02 -0.04 2.99 2.96 2dbnA1 LYS 70 HE3 0.05 -0.04 -0.02 -0.04 2.99 2.94 2dbnA1 ALA 71 H -0.29 0.40 -0.22 -0.55 8.40 7.74 2dbnA1 ALA 71 HA -0.25 0.08 0.51 -0.75 4.34 3.93 2dbnA1 ALA 71 HB3 -0.34 -0.04 0.07 -0.04 1.41 1.07 2dbnA1 GLY 72 H -0.26 0.29 -0.51 -0.55 8.43 7.41 2dbnA1 GLY 72 HA2 -0.12 0.03 0.32 -0.51 4.01 3.73 2dbnA1 GLY 72 HA3 -0.15 0.06 0.50 -0.51 4.01 3.90 2dbnA1 HIS 73 H -0.16 0.57 0.01 -0.55 8.41 8.29 2dbnA1 HIS 73 HA -0.04 0.28 0.88 -0.75 4.63 5.00 2dbnA1 HIS 73 HB2 -0.08 -0.08 0.03 -0.04 3.26 3.09 2dbnA1 HIS 73 HB3 -0.05 -0.06 0.14 -0.04 3.20 3.18 2dbnA1 HIS 73 HD2 -0.03 0.14 -0.16 -0.04 6.97 6.87 2dbnA1 HIS 73 HE1 -0.03 -0.05 -0.02 -0.04 7.75 7.60 2dbnA1 VAL 74 H -0.04 0.17 -0.24 -0.55 8.24 7.58 2dbnA1 VAL 74 HA -0.04 -0.02 0.50 -0.75 4.13 3.81 2dbnA1 VAL 74 HB 0.06 0.07 -0.02 -0.04 2.12 2.20 2dbnA1 VAL 74 HG13 0.07 0.04 -0.15 -0.04 0.97 0.88 2dbnA1 VAL 74 HG23 -0.48 0.01 -0.18 -0.04 0.95 0.26 2dbnA1 THR 75 H 0.00 0.06 0.19 -0.55 8.28 7.98 2dbnA1 THR 75 HA 0.02 0.23 0.48 -0.75 4.39 4.37 2dbnA1 THR 75 HB -0.00 -0.05 0.17 -0.04 4.32 4.39 2dbnA1 THR 75 HG23 -0.01 0.06 0.09 -0.04 1.22 1.31 2dbnA1 ALA 76 H 0.00 0.21 0.18 -0.55 8.40 8.24 2dbnA1 ALA 76 HA -0.00 0.16 0.41 -0.75 4.34 4.15 2dbnA1 ALA 76 HB3 -0.01 0.03 0.11 -0.04 1.41 1.50 2dbnA1 GLU 77 H -0.00 0.06 -0.15 -0.55 8.60 7.96 2dbnA1 GLU 77 HA -0.02 0.13 0.40 -0.75 4.29 4.05 2dbnA1 GLU 77 HB2 -0.01 0.01 0.10 -0.04 2.09 2.15 2dbnA1 GLU 77 HB3 -0.00 -0.04 0.04 -0.04 1.99 1.95 2dbnA1 GLU 77 HG2 -0.00 0.03 -0.14 -0.04 2.34 2.19 2dbnA1 GLU 77 HG3 -0.01 0.03 0.04 -0.04 2.34 2.37 2dbnA1 GLN 78 H 0.01 0.03 -0.31 -0.55 8.47 7.66 2dbnA1 GLN 78 HA 0.02 0.09 0.43 -0.75 4.36 4.14 2dbnA1 GLN 78 HB2 0.03 0.12 0.09 -0.04 2.15 2.35 2dbnA1 GLN 78 HB3 0.04 0.04 -0.03 -0.04 2.02 2.02 2dbnA1 GLN 78 HG2 0.01 0.09 0.05 -0.04 2.40 2.51 2dbnA1 GLN 78 HG3 0.01 -0.09 0.07 -0.04 2.39 2.34 2dbnA1 GLN 78 HE21 -0.03 -0.10 0.11 -0.04 6.97 6.92 2dbnA1 GLN 78 HE22 -0.00 0.16 0.09 -0.04 7.69 7.90 2dbnA1 ARG 79 H 0.03 0.43 -0.22 -0.55 8.46 8.14 2dbnA1 ARG 79 HA 0.02 0.05 0.40 -0.75 4.34 4.05 2dbnA1 ARG 79 HB2 -0.05 0.06 0.11 -0.04 1.90 1.98 2dbnA1 ARG 79 HB3 -0.13 0.04 0.01 -0.04 1.80 1.69 2dbnA1 ARG 79 HG2 0.22 -0.06 -0.11 -0.04 1.67 1.68 2dbnA1 ARG 79 HG3 0.08 0.19 -0.15 -0.04 1.67 1.75 2dbnA1 ARG 79 HD2 -0.08 0.06 -0.07 -0.04 3.22 3.09 2dbnA1 ARG 79 HD3 0.14 0.00 -0.12 -0.04 3.22 3.20 2dbnA1 GLU 80 H -0.05 0.50 -0.17 -0.55 8.60 8.34 2dbnA1 GLU 80 HA -0.13 0.03 0.40 -0.75 4.29 3.84 2dbnA1 GLU 80 HB2 -0.06 -0.03 0.10 -0.04 2.09 2.06 2dbnA1 GLU 80 HB3 -0.04 0.07 0.24 -0.04 1.99 2.22 2dbnA1 GLU 80 HG2 -0.05 -0.03 -0.09 -0.04 2.34 2.13 2dbnA1 GLU 80 HG3 -0.04 -0.05 -0.01 -0.04 2.34 2.20 2dbnA1 GLN 81 H -0.02 0.46 -0.17 -0.55 8.47 8.19 2dbnA1 GLN 81 HA -0.01 0.02 0.43 -0.75 4.36 4.06 2dbnA1 GLN 81 HB2 0.03 0.11 0.17 -0.04 2.15 2.41 2dbnA1 GLN 81 HB3 0.03 0.02 0.06 -0.04 2.02 2.08 2dbnA1 GLN 81 HG2 0.01 -0.03 0.05 -0.04 2.40 2.39 2dbnA1 GLN 81 HG3 0.00 0.34 0.11 -0.04 2.39 2.80 2dbnA1 GLN 81 HE21 0.02 -0.02 -0.01 -0.04 6.97 6.92 2dbnA1 GLN 81 HE22 0.01 -0.00 -0.01 -0.04 7.69 7.65 2dbnA1 ILE 82 H -0.01 0.40 -0.19 -0.55 8.25 7.90 2dbnA1 ILE 82 HA 0.09 0.14 0.54 -0.75 4.18 4.20 2dbnA1 ILE 82 HB -0.06 0.12 0.11 -0.04 1.89 2.02 2dbnA1 ILE 82 HG12 0.14 0.08 0.04 -0.04 1.49 1.70 2dbnA1 ILE 82 HG13 0.08 0.12 0.09 -0.04 1.21 1.46 2dbnA1 ILE 82 HG23 0.19 0.01 -0.18 -0.04 0.93 0.91 2dbnA1 ILE 82 HD13 0.20 -0.04 -0.12 -0.04 0.88 0.88 2dbnA1 LYS 83 H -0.22 0.44 -0.14 -0.55 8.42 7.95 2dbnA1 LYS 83 HA -0.63 0.02 0.45 -0.75 4.32 3.41 2dbnA1 LYS 83 HB2 -0.34 0.08 0.16 -0.04 1.87 1.73 2dbnA1 LYS 83 HB3 -0.64 -0.07 0.06 -0.04 1.79 1.11 2dbnA1 LYS 83 HG2 -1.81 -0.00 0.03 -0.04 1.46 -0.37 2dbnA1 LYS 83 HG3 -0.64 0.13 0.06 -0.04 1.46 0.98 2dbnA1 LYS 83 HD2 -0.50 0.05 0.04 -0.04 1.69 1.24 2dbnA1 LYS 83 HD3 -0.38 -0.08 -0.00 -0.04 1.68 1.17 2dbnA1 LYS 83 HE2 -0.64 -0.06 0.02 -0.04 2.99 2.27 2dbnA1 LYS 83 HE3 -0.97 0.12 0.06 -0.04 2.99 2.16 2dbnA1 ARG 84 H -0.03 0.40 -0.23 -0.55 8.46 8.06 2dbnA1 ARG 84 HA 0.05 0.01 0.56 -0.75 4.34 4.21 2dbnA1 ARG 84 HB2 -0.01 -0.00 0.12 -0.04 1.90 1.97 2dbnA1 ARG 84 HB3 0.00 0.09 0.18 -0.04 1.80 2.03 2dbnA1 ARG 84 HG2 0.00 0.05 -0.01 -0.04 1.67 1.67 2dbnA1 ARG 84 HG3 -0.00 -0.06 0.08 -0.04 1.67 1.64 2dbnA1 ARG 84 HD2 -0.01 -0.05 0.01 -0.04 3.22 3.13 2dbnA1 ARG 84 HD3 -0.00 0.04 0.01 -0.04 3.22 3.22 2dbnA1 ARG 85 H 0.05 0.50 0.04 -0.55 8.46 8.50 2dbnA1 ARG 85 HA -0.02 0.39 0.75 -0.75 4.34 4.70 2dbnA1 ARG 85 HB2 0.01 -0.01 0.16 -0.04 1.90 2.02 2dbnA1 ARG 85 HB3 -0.10 -0.07 0.13 -0.04 1.80 1.73 2dbnA1 ARG 85 HG2 0.01 0.07 0.14 -0.04 1.67 1.85 2dbnA1 ARG 85 HG3 0.00 0.12 0.09 -0.04 1.67 1.84 2dbnA1 ARG 85 HD2 -0.04 0.04 0.07 -0.04 3.22 3.26 2dbnA1 ARG 85 HD3 -0.01 0.02 -0.20 -0.04 3.22 2.99 2dbnA1 GLY 86 H 0.26 0.58 -0.07 -0.55 8.43 8.65 2dbnA1 GLY 86 HA2 0.50 0.03 0.35 -0.51 4.01 4.38 2dbnA1 GLY 86 HA3 0.06 -0.04 0.40 -0.51 4.01 3.92 2dbnA1 CYS 87 H 0.16 0.26 -0.08 -0.55 8.50 8.30 2dbnA1 CYS 87 HA 0.43 0.09 0.62 -0.75 4.58 4.97 2dbnA1 CYS 87 HB2 -0.46 0.04 0.21 -0.04 2.97 2.72 2dbnA1 CYS 87 HB3 -0.24 0.05 -0.07 -0.04 2.97 2.67 2dbnA1 ALA 88 H 0.57 0.53 0.35 -0.55 8.40 9.31 2dbnA1 ALA 88 HA 0.37 0.23 0.59 -0.75 4.34 4.78 2dbnA1 ALA 88 HB3 0.22 0.01 -0.14 -0.04 1.41 1.45 2dbnA1 VAL 89 H 0.28 0.72 0.33 -0.55 8.24 9.02 2dbnA1 VAL 89 HA 0.18 0.24 1.11 -0.75 4.13 4.91 2dbnA1 VAL 89 HB 0.11 -0.03 0.19 -0.04 2.12 2.36 2dbnA1 VAL 89 HG13 -0.00 -0.02 -0.14 -0.04 0.97 0.77 2dbnA1 VAL 89 HG23 -0.05 0.01 -0.07 -0.04 0.95 0.80 2dbnA1 ILE 90 H 0.23 0.78 0.30 -0.55 8.25 9.01 2dbnA1 ILE 90 HA 0.04 0.23 0.89 -0.75 4.18 4.58 2dbnA1 ILE 90 HB 0.19 -0.03 0.18 -0.04 1.89 2.19 2dbnA1 ILE 90 HG12 -0.11 0.00 -0.17 -0.04 1.49 1.18 2dbnA1 ILE 90 HG13 0.12 0.03 -0.29 -0.04 1.21 1.03 2dbnA1 ILE 90 HG23 -0.16 -0.03 -0.20 -0.04 0.93 0.50 2dbnA1 ILE 90 HD13 -0.37 0.01 -0.12 -0.04 0.88 0.36 2dbnA1 LYS 91 H 0.04 0.82 0.33 -0.55 8.42 9.05 2dbnA1 LYS 91 HA 0.07 0.03 0.65 -0.75 4.32 4.32 2dbnA1 LYS 91 HB2 0.03 -0.09 0.13 -0.04 1.87 1.90 2dbnA1 LYS 91 HB3 0.04 -0.01 0.02 -0.04 1.79 1.80 2dbnA1 LYS 91 HG2 0.04 0.12 -0.05 -0.04 1.46 1.53 2dbnA1 LYS 91 HG3 0.03 0.01 -0.06 -0.04 1.46 1.39 2dbnA1 LYS 91 HD2 0.04 -0.05 -0.05 -0.04 1.69 1.59 2dbnA1 LYS 91 HD3 0.02 0.10 -0.04 -0.04 1.68 1.72 2dbnA1 LYS 91 HE2 0.02 0.02 -0.01 -0.04 2.99 2.99 2dbnA1 LYS 91 HE3 0.03 -0.08 0.03 -0.04 2.99 2.93 2dbnA1 GLY 92 H 0.08 0.16 0.13 -0.55 8.43 8.25 2dbnA1 GLY 92 HA2 0.07 0.13 0.21 -0.51 4.01 3.91 2dbnA1 GLY 92 HA3 0.07 -0.02 0.34 -0.51 4.01 3.89 2dbnA1 HIS 93 H 0.15 0.23 -0.08 -0.55 8.41 8.16 2dbnA1 HIS 93 HA -0.40 -0.05 0.30 -0.75 4.63 3.73 2dbnA1 HIS 93 HB2 0.02 -0.00 0.11 -0.04 3.26 3.34 2dbnA1 HIS 93 HB3 -0.08 0.16 0.05 -0.04 3.20 3.28 2dbnA1 HIS 93 HD2 -1.37 -0.06 0.03 -0.04 6.97 5.52 2dbnA1 HIS 93 HE1 0.32 0.06 -0.10 -0.04 7.75 7.99 2dbnA1 PHE 94 H 0.10 0.47 -0.07 -0.55 8.34 8.29 2dbnA1 PHE 94 HA -0.11 0.16 0.74 -0.75 4.62 4.65 2dbnA1 PHE 94 HB2 -0.06 -0.04 0.02 -0.04 3.15 3.03 2dbnA1 PHE 94 HB3 -0.29 -0.04 0.01 -0.04 3.06 2.71 2dbnA1 PHE 94 HD2 -0.01 0.01 -0.05 -0.04 7.28 7.19 2dbnA1 PHE 94 HE2 -0.04 -0.04 -0.07 -0.04 7.38 7.19 2dbnA1 PHE 94 HZ -0.12 0.08 -0.07 -0.04 7.32 7.17 2dbnA1 PRO 95 HA 0.00 0.09 0.48 -0.51 4.44 4.50 2dbnA1 PRO 95 HB2 -0.09 -0.17 0.07 -0.04 2.28 2.05 2dbnA1 PRO 95 HB3 -0.03 0.06 0.12 -0.04 2.02 2.12 2dbnA1 PRO 95 HG2 -0.03 0.07 0.08 -0.04 2.03 2.10 2dbnA1 PRO 95 HG3 0.00 0.11 0.06 -0.04 2.03 2.16 2dbnA1 PRO 95 HD2 -0.04 0.06 0.19 -0.04 3.68 3.84 2dbnA1 PRO 95 HD3 0.02 0.24 0.16 -0.04 3.65 4.03 2dbnA1 ARG 96 H -0.01 0.16 0.21 -0.55 8.46 8.26 2dbnA1 ARG 96 HA -0.01 0.33 0.31 -0.75 4.34 4.21 2dbnA1 ARG 96 HB2 0.00 0.07 0.18 -0.04 1.90 2.12 2dbnA1 ARG 96 HB3 -0.02 -0.06 0.15 -0.04 1.80 1.82 2dbnA1 ARG 96 HG2 -0.03 -0.02 -0.13 -0.04 1.67 1.45 2dbnA1 ARG 96 HG3 -0.01 -0.00 0.07 -0.04 1.67 1.68 2dbnA1 ARG 96 HD2 0.01 0.02 0.07 -0.04 3.22 3.27 2dbnA1 ARG 96 HD3 -0.01 0.02 0.04 -0.04 3.22 3.23 2dbnA1 GLU 97 H -0.07 0.10 -0.13 -0.55 8.60 7.96 2dbnA1 GLU 97 HA -0.09 0.09 0.40 -0.75 4.29 3.93 2dbnA1 GLU 97 HB2 -0.08 -0.01 0.03 -0.04 2.09 1.98 2dbnA1 GLU 97 HB3 -0.09 0.06 0.01 -0.04 1.99 1.92 2dbnA1 GLU 97 HG2 -0.05 -0.05 0.04 -0.04 2.34 2.24 2dbnA1 GLU 97 HG3 -0.05 0.06 0.02 -0.04 2.34 2.32 2dbnA1 GLN 98 H -0.19 0.15 -0.47 -0.55 8.47 7.42 2dbnA1 GLN 98 HA -0.44 0.08 0.46 -0.75 4.36 3.71 2dbnA1 GLN 98 HB2 -0.32 -0.05 0.07 -0.04 2.15 1.81 2dbnA1 GLN 98 HB3 -0.41 0.15 0.05 -0.04 2.02 1.77 2dbnA1 GLN 98 HG2 -2.12 0.02 -0.20 -0.04 2.40 0.05 2dbnA1 GLN 98 HG3 -0.90 -0.02 0.02 -0.04 2.39 1.46 2dbnA1 GLN 98 HE21 0.06 -0.01 -0.01 -0.04 6.97 6.97 2dbnA1 GLN 98 HE22 -0.35 0.00 -0.04 -0.04 7.69 7.26 2dbnA1 ALA 99 H -0.23 0.49 -0.19 -0.55 8.40 7.93 2dbnA1 ALA 99 HA -0.10 0.04 0.38 -0.75 4.34 3.91 2dbnA1 ALA 99 HB3 0.01 0.05 -0.01 -0.04 1.41 1.42 2dbnA1 LEU 100 H -0.12 0.57 -0.07 -0.55 8.37 8.21 2dbnA1 LEU 100 HA -0.10 0.18 0.50 -0.75 4.35 4.18 2dbnA1 LEU 100 HB2 -0.10 0.01 0.11 -0.04 1.64 1.61 2dbnA1 LEU 100 HB3 -0.11 -0.03 0.04 -0.04 1.64 1.50 2dbnA1 LEU 100 HG -0.07 0.15 0.04 -0.04 1.64 1.72 2dbnA1 LEU 100 HD13 -0.07 -0.03 -0.03 -0.04 0.93 0.76 2dbnA1 LEU 100 HD23 -0.11 0.04 0.07 -0.04 0.89 0.86 2dbnA1 GLY 101 H -0.18 0.44 -0.38 -0.55 8.43 7.77 2dbnA1 GLY 101 HA2 -0.08 -0.01 0.40 -0.51 4.01 3.80 2dbnA1 GLY 101 HA3 -0.16 0.10 0.31 -0.51 4.01 3.76 2dbnA1 TRP 102 H -0.07 0.51 -0.24 -0.55 7.97 7.63 2dbnA1 TRP 102 HA -0.12 -0.04 0.47 -0.75 4.62 4.18 2dbnA1 TRP 102 HB2 -0.17 0.19 0.16 -0.04 3.23 3.38 2dbnA1 TRP 102 HB3 -0.17 -0.07 -0.07 -0.04 3.23 2.89 2dbnA1 TRP 102 HD1 -0.11 -0.08 -0.02 -0.04 7.22 6.97 2dbnA1 TRP 102 HE1 -0.11 -0.02 -0.05 -0.04 10.20 9.99 2dbnA1 TRP 102 HE3 -0.35 0.02 -0.07 -0.04 7.59 7.15 2dbnA1 TRP 102 HZ2 -0.18 -0.02 -0.13 -0.04 7.44 7.07 2dbnA1 TRP 102 HZ3 -1.72 0.01 -0.09 -0.04 7.13 5.30 2dbnA1 TRP 102 HH2 -1.11 -0.01 -0.04 -0.04 7.19 5.98 2dbnA1 ASP 103 H 0.04 0.50 -0.17 -0.55 8.40 8.22 2dbnA1 ASP 103 HA -0.07 0.00 0.39 -0.75 4.63 4.20 2dbnA1 ASP 103 HB2 -0.08 0.11 0.19 -0.04 2.71 2.89 2dbnA1 ASP 103 HB3 -0.13 0.11 0.19 -0.04 2.70 2.83 2dbnA1 GLN 104 H -0.07 0.54 -0.10 -0.55 8.47 8.30 2dbnA1 GLN 104 HA -0.10 0.03 0.44 -0.75 4.36 3.98 2dbnA1 GLN 104 HB2 -0.10 0.03 0.10 -0.04 2.15 2.15 2dbnA1 GLN 104 HB3 -0.06 0.10 0.13 -0.04 2.02 2.15 2dbnA1 GLN 104 HG2 -0.05 -0.00 -0.01 -0.04 2.40 2.29 2dbnA1 GLN 104 HG3 -0.04 -0.03 -0.15 -0.04 2.39 2.13 2dbnA1 GLN 104 HE21 -0.08 0.01 0.00 -0.04 6.97 6.86 2dbnA1 GLN 104 HE22 -0.08 0.01 0.01 -0.04 7.69 7.58 2dbnA1 SER 105 H 0.01 0.56 -0.21 -0.55 8.46 8.27 2dbnA1 SER 105 HA 0.01 0.02 0.45 -0.75 4.49 4.21 2dbnA1 SER 105 HB2 0.07 0.12 0.14 -0.04 3.95 4.24 2dbnA1 SER 105 HB3 0.09 0.08 0.20 -0.04 3.93 4.26 2dbnA1 MET 106 H -0.03 0.62 -0.15 -0.55 8.47 8.36 2dbnA1 MET 106 HA 0.02 -0.06 0.46 -0.75 4.52 4.19 2dbnA1 MET 106 HB2 -0.13 0.20 0.14 -0.04 2.15 2.32 2dbnA1 MET 106 HB3 -0.14 -0.03 0.01 -0.04 2.03 1.83 2dbnA1 MET 106 HG2 -0.15 -0.21 0.02 -0.04 2.63 2.25 2dbnA1 MET 106 HG3 -0.10 0.26 0.08 -0.04 2.56 2.76 2dbnA1 MET 106 HE3 -0.11 0.04 -0.14 -0.04 2.10 1.84 2dbnA1 LEU 107 H -0.09 0.47 -0.18 -0.55 8.37 8.03 2dbnA1 LEU 107 HA -0.16 0.02 0.44 -0.75 4.35 3.90 2dbnA1 LEU 107 HB2 -0.08 0.14 0.19 -0.04 1.64 1.84 2dbnA1 LEU 107 HB3 -0.07 -0.04 0.02 -0.04 1.64 1.50 2dbnA1 LEU 107 HG -0.15 0.19 0.07 -0.04 1.64 1.71 2dbnA1 LEU 107 HD13 -0.13 -0.02 -0.03 -0.04 0.93 0.71 2dbnA1 LEU 107 HD23 -0.14 -0.01 -0.01 -0.04 0.89 0.68 2dbnA1 ASP 108 H -0.02 0.57 -0.15 -0.55 8.40 8.25 2dbnA1 ASP 108 HA -0.03 0.01 0.45 -0.75 4.63 4.31 2dbnA1 ASP 108 HB2 0.01 0.11 0.16 -0.04 2.71 2.96 2dbnA1 ASP 108 HB3 0.00 -0.04 0.05 -0.04 2.70 2.66 2dbnA1 TYR 109 H 0.11 0.43 -0.25 -0.55 8.29 8.03 2dbnA1 TYR 109 HA -0.04 0.05 0.46 -0.75 4.56 4.28 2dbnA1 TYR 109 HB2 0.02 -0.02 0.14 -0.04 3.06 3.16 2dbnA1 TYR 109 HB3 -0.02 0.16 0.25 -0.04 2.98 3.32 2dbnA1 TYR 109 HD2 0.09 0.05 0.00 -0.04 7.15 7.25 2dbnA1 TYR 109 HE2 0.24 -0.02 -0.28 -0.04 6.85 6.74 2dbnA1 LEU 110 H -0.04 0.50 -0.15 -0.55 8.37 8.12 2dbnA1 LEU 110 HA -0.42 0.04 0.39 -0.75 4.35 3.61 2dbnA1 LEU 110 HB2 -0.16 0.18 0.19 -0.04 1.64 1.82 2dbnA1 LEU 110 HB3 -0.13 -0.10 0.00 -0.04 1.64 1.37 2dbnA1 LEU 110 HG -0.17 0.17 0.05 -0.04 1.64 1.65 2dbnA1 LEU 110 HD13 -0.70 -0.02 -0.05 -0.04 0.93 0.12 2dbnA1 LEU 110 HD23 -0.40 -0.02 -0.04 -0.04 0.89 0.39 2dbnA1 ASP 111 H -0.11 0.55 -0.10 -0.55 8.40 8.20 2dbnA1 ASP 111 HA -0.08 -0.06 0.44 -0.75 4.63 4.18 2dbnA1 ASP 111 HB2 -0.06 0.09 0.18 -0.04 2.71 2.88 2dbnA1 ASP 111 HB3 -0.06 -0.02 -0.00 -0.04 2.70 2.58 2dbnA1 ARG 112 H -0.14 0.62 -0.12 -0.55 8.46 8.26 2dbnA1 ARG 112 HA -0.11 -0.01 0.41 -0.75 4.34 3.87 2dbnA1 ARG 112 HB2 -0.06 0.01 0.15 -0.04 1.90 1.96 2dbnA1 ARG 112 HB3 -0.14 0.15 0.16 -0.04 1.80 1.93 2dbnA1 ARG 112 HG2 -0.12 0.01 -0.15 -0.04 1.67 1.37 2dbnA1 ARG 112 HG3 -0.06 -0.06 0.08 -0.04 1.67 1.59 2dbnA1 ARG 112 HD2 0.02 -0.04 -0.02 -0.04 3.22 3.14 2dbnA1 ARG 112 HD3 0.04 0.13 -0.08 -0.04 3.22 3.28 2dbnA1 ASN 113 H -0.57 0.31 -0.49 -0.55 8.53 7.23 2dbnA1 ASN 113 HA -0.49 0.17 0.84 -0.75 4.76 4.53 2dbnA1 ASN 113 HB2 -2.43 0.04 0.10 -0.04 2.88 0.55 2dbnA1 ASN 113 HB3 -2.32 -0.00 0.17 -0.04 2.79 0.59 2dbnA1 ASN 113 HD21 -0.18 0.33 0.11 -0.04 7.03 7.25 2dbnA1 ASN 113 HD22 -1.00 0.30 0.09 -0.04 7.74 7.08 2dbnA1 ARG 114 H -0.25 0.52 -0.41 -0.55 8.46 7.76 2dbnA1 ARG 114 HA -0.09 -0.01 0.38 -0.75 4.34 3.86 2dbnA1 ARG 114 HB2 -0.10 0.13 -0.22 -0.04 1.90 1.67 2dbnA1 ARG 114 HB3 -0.05 -0.13 0.20 -0.04 1.80 1.77 2dbnA1 ARG 114 HG2 -0.06 -0.05 0.06 -0.04 1.67 1.58 2dbnA1 ARG 114 HG3 -0.10 0.15 -0.01 -0.04 1.67 1.66 2dbnA1 ARG 114 HD2 -0.03 -0.03 -0.00 -0.04 3.22 3.11 2dbnA1 ARG 114 HD3 -0.04 -0.03 0.00 -0.04 3.22 3.11 2dbnA1 PHE 115 H -0.06 0.55 -0.08 -0.55 8.34 8.20 2dbnA1 PHE 115 HA 0.11 0.13 0.33 -0.75 4.62 4.43 2dbnA1 PHE 115 HB2 -0.02 0.06 0.08 -0.04 3.15 3.24 2dbnA1 PHE 115 HB3 -0.03 -0.08 0.02 -0.04 3.06 2.93 2dbnA1 PHE 115 HD2 0.21 0.02 -0.09 -0.04 7.28 7.38 2dbnA1 PHE 115 HE2 -0.39 0.03 -0.05 -0.04 7.38 6.92 2dbnA1 PHE 115 HZ -1.00 0.04 0.00 -0.04 7.32 6.32 2dbnA1 ASP 116 H 0.08 0.08 -0.19 -0.55 8.40 7.82 2dbnA1 ASP 116 HA -0.11 0.08 0.37 -0.75 4.63 4.21 2dbnA1 ASP 116 HB2 0.02 -0.02 -0.00 -0.04 2.71 2.66 2dbnA1 ASP 116 HB3 0.02 0.05 0.02 -0.04 2.70 2.74 2dbnA1 GLU 117 H -0.03 0.26 -0.42 -0.55 8.60 7.87 2dbnA1 GLU 117 HA -0.01 0.11 0.65 -0.75 4.29 4.28 2dbnA1 GLU 117 HB2 -0.01 0.17 0.11 -0.04 2.09 2.32 2dbnA1 GLU 117 HB3 -0.00 -0.02 0.06 -0.04 1.99 1.98 2dbnA1 GLU 117 HG2 -0.01 0.00 -0.02 -0.04 2.34 2.27 2dbnA1 GLU 117 HG3 -0.01 -0.13 -0.05 -0.04 2.34 2.11 2dbnA1 VAL 118 H -0.02 0.24 -0.02 -0.55 8.24 7.90 2dbnA1 VAL 118 HA 0.08 0.16 0.91 -0.75 4.13 4.52 2dbnA1 VAL 118 HB 0.30 -0.05 0.08 -0.04 2.12 2.41 2dbnA1 VAL 118 HG13 0.13 0.00 -0.03 -0.04 0.97 1.03 2dbnA1 VAL 118 HG23 0.28 0.03 0.00 -0.04 0.95 1.22 2dbnA1 TYR 119 H -0.22 0.55 0.02 -0.55 8.29 8.08 2dbnA1 TYR 119 HA -0.33 0.06 0.25 -0.75 4.56 3.79 2dbnA1 TYR 119 HB2 -1.86 -0.01 0.06 -0.04 3.06 1.21 2dbnA1 TYR 119 HB3 -0.63 0.03 0.06 -0.04 2.98 2.40 2dbnA1 TYR 119 HD2 -0.40 0.00 0.03 -0.04 7.15 6.74 2dbnA1 TYR 119 HE2 0.09 -0.01 0.05 -0.04 6.85 6.94 2dbnA1 ARG 134 HA -0.02 0.02 0.28 -0.75 4.34 3.87 2dbnA1 ARG 134 HB2 -0.02 0.02 0.13 -0.04 1.90 1.98 2dbnA1 ARG 134 HB3 -0.02 -0.04 0.13 -0.04 1.80 1.83 2dbnA1 ARG 134 HG2 -0.05 0.00 0.07 -0.04 1.67 1.66 2dbnA1 ARG 134 HG3 -0.03 -0.03 0.05 -0.04 1.67 1.62 2dbnA1 ARG 134 HD2 -0.04 -0.12 0.07 -0.04 3.22 3.08 2dbnA1 ARG 134 HD3 -0.06 0.04 -0.13 -0.04 3.22 3.02 2dbnA1 PRO 135 HA -0.02 0.12 0.56 -0.51 4.44 4.59 2dbnA1 PRO 135 HB2 0.00 -0.03 -0.03 -0.04 2.28 2.18 2dbnA1 PRO 135 HB3 -0.01 0.02 0.03 -0.04 2.02 2.03 2dbnA1 PRO 135 HG2 0.00 -0.01 0.02 -0.04 2.03 2.00 2dbnA1 PRO 135 HG3 0.00 -0.03 0.02 -0.04 2.03 1.99 2dbnA1 PRO 135 HD2 -0.01 0.09 0.24 -0.04 3.68 3.95 2dbnA1 PRO 135 HD3 -0.01 0.13 0.03 -0.04 3.65 3.75 2dbnA1 GLU 136 H -0.03 0.28 0.22 -0.55 8.60 8.52 2dbnA1 GLU 136 HA -0.06 0.07 0.67 -0.75 4.29 4.22 2dbnA1 GLU 136 HB2 -0.09 0.17 -0.16 -0.04 2.09 1.97 2dbnA1 GLU 136 HB3 -0.17 -0.01 0.06 -0.04 1.99 1.83 2dbnA1 GLU 136 HG2 -0.56 -0.06 -0.28 -0.04 2.34 1.40 2dbnA1 GLU 136 HG3 -0.17 0.00 0.11 -0.04 2.34 2.24 2dbnA1 ILE 137 H -0.07 0.21 0.16 -0.55 8.25 8.00 2dbnA1 ILE 137 HA -0.02 0.18 0.97 -0.75 4.18 4.55 2dbnA1 ILE 137 HB 0.01 -0.00 0.10 -0.04 1.89 1.96 2dbnA1 ILE 137 HG12 0.07 0.01 -0.11 -0.04 1.49 1.41 2dbnA1 ILE 137 HG13 0.02 -0.06 -0.09 -0.04 1.21 1.04 2dbnA1 ILE 137 HG23 0.04 0.02 -0.15 -0.04 0.93 0.80 2dbnA1 ILE 137 HD13 0.07 0.01 -0.06 -0.04 0.88 0.86 2dbnA1 TYR 138 H 0.03 0.58 0.36 -0.55 8.29 8.72 2dbnA1 TYR 138 HA -0.20 0.19 0.71 -0.75 4.56 4.51 2dbnA1 TYR 138 HB2 -0.23 0.03 0.26 -0.04 3.06 3.08 2dbnA1 TYR 138 HB3 -0.36 -0.07 0.03 -0.04 2.98 2.53 2dbnA1 TYR 138 HD2 -0.48 0.03 -0.02 -0.04 7.15 6.64 2dbnA1 TYR 138 HE2 -0.11 -0.01 -0.06 -0.04 6.85 6.63 2dbnA1 PRO 139 HA -0.24 0.15 0.50 -0.51 4.44 4.34 2dbnA1 PRO 139 HB2 0.34 -0.07 0.21 -0.04 2.28 2.72 2dbnA1 PRO 139 HB3 0.22 0.08 0.10 -0.04 2.02 2.39 2dbnA1 PRO 139 HG2 0.20 -0.03 0.02 -0.04 2.03 2.19 2dbnA1 PRO 139 HG3 0.46 0.06 0.09 -0.04 2.03 2.61 2dbnA1 PRO 139 HD2 -0.07 0.04 0.18 -0.04 3.68 3.80 2dbnA1 PRO 139 HD3 -0.01 0.30 0.26 -0.04 3.65 4.16 2dbnA1 ILE 140 H -0.47 0.52 -0.51 -0.55 8.25 7.24 2dbnA1 ILE 140 HA -0.32 0.10 0.83 -0.75 4.18 4.05 2dbnA1 ILE 140 HB -0.27 0.01 0.01 -0.04 1.89 1.59 2dbnA1 ILE 140 HG12 -0.30 -0.08 -0.34 -0.04 1.49 0.74 2dbnA1 ILE 140 HG13 -0.32 0.01 -0.10 -0.04 1.21 0.76 2dbnA1 ILE 140 HG23 0.04 -0.02 -0.10 -0.04 0.93 0.81 2dbnA1 ILE 140 HD13 -0.39 0.08 -0.17 -0.04 0.88 0.35 2dbnA1 TYR 141 H -0.30 0.01 0.13 -0.55 8.29 7.58 2dbnA1 TYR 141 HA -0.55 0.37 1.04 -0.75 4.56 4.66 2dbnA1 TYR 141 HB2 -1.92 0.05 -0.10 -0.04 3.06 1.05 2dbnA1 TYR 141 HB3 -1.43 0.01 -0.03 -0.04 2.98 1.50 2dbnA1 TYR 141 HD2 -0.57 0.01 -0.32 -0.04 7.15 6.23 2dbnA1 TYR 141 HE2 -0.88 -0.01 -0.19 -0.04 6.85 5.74 2dbnA1 TRP 142 H -0.06 -0.02 0.09 -0.55 7.97 7.42 2dbnA1 TRP 142 HA -0.07 0.32 1.03 -0.75 4.62 5.15 2dbnA1 TRP 142 HB2 0.10 -0.01 0.10 -0.04 3.23 3.39 2dbnA1 TRP 142 HB3 0.08 0.14 0.19 -0.04 3.23 3.60 2dbnA1 TRP 142 HD1 0.04 0.02 -0.07 -0.04 7.22 7.17 2dbnA1 TRP 142 HE1 -0.04 0.41 -0.49 -0.04 10.20 10.05 2dbnA1 TRP 142 HE3 -0.04 -0.02 -0.08 -0.04 7.59 7.41 2dbnA1 TRP 142 HZ2 -0.13 0.07 -0.23 -0.04 7.44 7.12 2dbnA1 TRP 142 HZ3 -0.05 -0.02 -0.08 -0.04 7.13 6.94 2dbnA1 TRP 142 HH2 -0.08 0.01 -0.03 -0.04 7.19 7.05 2dbnA1 SER 143 H -0.11 0.10 -0.19 -0.55 8.46 7.71 2dbnA1 SER 143 HA -0.85 0.19 0.45 -0.75 4.49 3.52 2dbnA1 SER 143 HB2 -0.39 -0.00 0.09 -0.04 3.95 3.61 2dbnA1 SER 143 HB3 -0.20 0.10 0.06 -0.04 3.93 3.85 2dbnA1 GLN 144 H -0.28 0.28 0.17 -0.55 8.47 8.10 2dbnA1 GLN 144 HA 0.14 0.10 0.44 -0.75 4.36 4.29 2dbnA1 GLN 144 HB2 -0.03 -0.02 0.12 -0.04 2.15 2.18 2dbnA1 GLN 144 HB3 0.07 -0.00 0.02 -0.04 2.02 2.07 2dbnA1 GLN 144 HG2 0.15 -0.05 -0.02 -0.04 2.40 2.44 2dbnA1 GLN 144 HG3 0.01 0.21 0.01 -0.04 2.39 2.58 2dbnA1 GLN 144 HE21 0.03 -0.10 0.01 -0.04 6.97 6.86 2dbnA1 GLN 144 HE22 0.02 0.70 0.06 -0.04 7.69 8.44 2dbnA1 ALA 145 H -0.19 0.07 -0.21 -0.55 8.40 7.53 2dbnA1 ALA 145 HA -0.49 0.08 0.35 -0.75 4.34 3.53 2dbnA1 ALA 145 HB3 -0.24 -0.00 0.04 -0.04 1.41 1.17 2dbnA1 GLN 146 H -0.34 0.02 -0.31 -0.55 8.47 7.29 2dbnA1 GLN 146 HA -0.49 0.06 0.33 -0.75 4.36 3.51 2dbnA1 GLN 146 HB2 -0.27 -0.01 -0.01 -0.04 2.15 1.82 2dbnA1 GLN 146 HB3 -0.29 0.16 -0.07 -0.04 2.02 1.77 2dbnA1 GLN 146 HG2 -0.28 0.07 -0.03 -0.04 2.40 2.12 2dbnA1 GLN 146 HG3 -0.28 -0.14 -0.05 -0.04 2.39 1.88 2dbnA1 GLN 146 HE21 -0.40 0.45 0.17 -0.04 6.97 7.16 2dbnA1 GLN 146 HE22 -0.28 0.03 -0.00 -0.04 7.69 7.40 2dbnA1 MET 147 H -0.37 0.47 -0.19 -0.55 8.47 7.83 2dbnA1 MET 147 HA -0.39 0.10 0.45 -0.75 4.52 3.93 2dbnA1 MET 147 HB2 -1.08 0.04 0.03 -0.04 2.15 1.10 2dbnA1 MET 147 HB3 -2.00 -0.03 -0.10 -0.04 2.03 -0.14 2dbnA1 MET 147 HG2 -0.15 0.04 -0.01 -0.04 2.63 2.48 2dbnA1 MET 147 HG3 -0.37 0.03 -0.08 -0.04 2.56 2.10 2dbnA1 MET 147 HE3 -0.21 -0.01 -0.08 -0.04 2.10 1.75 2dbnA1 GLN 148 H -0.33 0.63 -0.14 -0.55 8.47 8.08 2dbnA1 GLN 148 HA -0.03 0.01 0.35 -0.75 4.36 3.94 2dbnA1 GLN 148 HB2 -0.14 0.08 0.11 -0.04 2.15 2.15 2dbnA1 GLN 148 HB3 0.11 -0.09 -0.01 -0.04 2.02 1.99 2dbnA1 GLN 148 HG2 0.13 0.13 0.10 -0.04 2.40 2.72 2dbnA1 GLN 148 HG3 0.14 -0.08 -0.02 -0.04 2.39 2.38 2dbnA1 GLN 148 HE21 0.18 0.08 0.01 -0.04 6.97 7.21 2dbnA1 GLN 148 HE22 0.22 -0.04 -0.00 -0.04 7.69 7.83 2dbnA1 ALA 149 H -0.74 0.49 -0.31 -0.55 8.40 7.29 2dbnA1 ALA 149 HA -0.47 -0.08 0.37 -0.75 4.34 3.41 2dbnA1 ALA 149 HB3 -1.27 0.04 0.05 -0.04 1.41 0.19 2dbnA1 ARG 150 H -0.29 0.42 -0.23 -0.55 8.46 7.81 2dbnA1 ARG 150 HA -0.02 0.04 0.37 -0.75 4.34 3.98 2dbnA1 ARG 150 HB2 -0.16 0.06 0.13 -0.04 1.90 1.89 2dbnA1 ARG 150 HB3 -0.03 -0.04 -0.02 -0.04 1.80 1.67 2dbnA1 ARG 150 HG2 -0.04 -0.00 0.00 -0.04 1.67 1.58 2dbnA1 ARG 150 HG3 -0.19 0.15 0.07 -0.04 1.67 1.66 2dbnA1 ARG 150 HD2 -0.15 -0.05 -0.11 -0.04 3.22 2.87 2dbnA1 ARG 150 HD3 -0.05 -0.07 -0.12 -0.04 3.22 2.94 2dbnA1 GLN 151 H -0.07 0.49 -0.22 -0.55 8.47 8.13 2dbnA1 GLN 151 HA 0.10 0.21 0.75 -0.75 4.36 4.66 2dbnA1 GLN 151 HB2 0.12 -0.27 0.14 -0.04 2.15 2.11 2dbnA1 GLN 151 HB3 0.05 0.03 0.01 -0.04 2.02 2.07 2dbnA1 GLN 151 HG2 -0.04 0.36 -0.01 -0.04 2.40 2.67 2dbnA1 GLN 151 HG3 0.08 0.02 -0.11 -0.04 2.39 2.33 2dbnA1 GLN 151 HE21 0.30 0.39 0.10 -0.04 6.97 7.72 2dbnA1 GLN 151 HE22 0.25 -0.01 -0.03 -0.04 7.69 7.85 2dbnA1 SER 152 H 0.10 0.36 -0.47 -0.55 8.46 7.90 2dbnA1 SER 152 HA 0.15 0.03 0.48 -0.75 4.49 4.40 2dbnA1 SER 152 HB2 0.32 -0.19 0.15 -0.04 3.95 4.19 2dbnA1 SER 152 HB3 0.24 0.28 0.17 -0.04 3.93 4.58 2dbnA1 GLU 153 H 0.14 0.15 0.21 -0.55 8.60 8.55 2dbnA1 GLU 153 HA 0.25 0.13 0.46 -0.75 4.29 4.38 2dbnA1 GLU 153 HB2 0.06 0.02 0.17 -0.04 2.09 2.30 2dbnA1 GLU 153 HB3 0.12 -0.02 0.12 -0.04 1.99 2.17 2dbnA1 GLU 153 HG2 0.09 0.02 0.02 -0.04 2.34 2.43 2dbnA1 GLU 153 HG3 0.15 0.01 -0.09 -0.04 2.34 2.37 2dbnA1 GLU 154 H 0.15 0.06 -0.10 -0.55 8.60 8.16 2dbnA1 GLU 154 HA 0.14 0.08 0.39 -0.75 4.29 4.14 2dbnA1 GLU 154 HB2 -0.17 -0.04 0.06 -0.04 2.09 1.90 2dbnA1 GLU 154 HB3 -0.84 0.14 0.01 -0.04 1.99 1.26 2dbnA1 GLU 154 HG2 -0.41 0.21 0.12 -0.04 2.34 2.22 2dbnA1 GLU 154 HG3 -0.04 -0.02 0.05 -0.04 2.34 2.28 2dbnA1 MET 155 H 0.20 0.11 -0.30 -0.55 8.47 7.93 2dbnA1 MET 155 HA 0.28 0.03 0.38 -0.75 4.52 4.45 2dbnA1 MET 155 HB2 0.29 0.03 0.07 -0.04 2.15 2.49 2dbnA1 MET 155 HB3 0.18 0.14 0.02 -0.04 2.03 2.33 2dbnA1 MET 155 HG2 0.18 0.07 -0.03 -0.04 2.63 2.81 2dbnA1 MET 155 HG3 0.18 -0.00 -0.18 -0.04 2.56 2.52 2dbnA1 MET 155 HE3 0.31 -0.02 -0.13 -0.04 2.10 2.22 2dbnA1 ALA 156 H 0.17 0.44 -0.26 -0.55 8.40 8.21 2dbnA1 ALA 156 HA 0.03 0.05 0.32 -0.75 4.34 3.99 2dbnA1 ALA 156 HB3 0.06 0.03 0.08 -0.04 1.41 1.53 2dbnA1 ASN 157 H 0.15 0.54 -0.21 -0.55 8.53 8.46 2dbnA1 ASN 157 HA 0.06 0.03 0.37 -0.75 4.76 4.47 2dbnA1 ASN 157 HB2 0.26 0.07 0.11 -0.04 2.88 3.29 2dbnA1 ASN 157 HB3 0.07 -0.03 -0.09 -0.04 2.79 2.70 2dbnA1 ASN 157 HD21 0.12 -0.06 -0.04 -0.04 7.03 7.01 2dbnA1 ASN 157 HD22 0.27 -0.07 -0.06 -0.04 7.74 7.83 2dbnA1 ALA 158 H 0.13 0.49 -0.21 -0.55 8.40 8.26 2dbnA1 ALA 158 HA -0.12 -0.03 0.39 -0.75 4.34 3.84 2dbnA1 ALA 158 HB3 -0.24 0.02 0.03 -0.04 1.41 1.18 2dbnA1 GLN 159 H -0.04 0.68 -0.14 -0.55 8.47 8.42 2dbnA1 GLN 159 HA -0.28 -0.03 0.35 -0.75 4.36 3.65 2dbnA1 GLN 159 HB2 -0.03 0.10 0.07 -0.04 2.15 2.25 2dbnA1 GLN 159 HB3 -0.07 -0.08 -0.05 -0.04 2.02 1.78 2dbnA1 GLN 159 HG2 0.01 -0.05 -0.07 -0.04 2.40 2.26 2dbnA1 GLN 159 HG3 0.03 0.05 -0.03 -0.04 2.39 2.40 2dbnA1 GLN 159 HE21 0.11 0.00 -0.05 -0.04 6.97 6.99 2dbnA1 GLN 159 HE22 0.20 0.34 0.00 -0.04 7.69 8.19 2dbnA1 SER 160 H -0.03 0.52 -0.23 -0.55 8.46 8.18 2dbnA1 SER 160 HA -0.05 0.28 0.39 -0.75 4.49 4.36 2dbnA1 SER 160 HB2 -0.03 0.05 0.10 -0.04 3.95 4.03 2dbnA1 SER 160 HB3 0.02 0.08 0.14 -0.04 3.93 4.12 2dbnA1 PHE 161 H 0.09 0.54 -0.15 -0.55 8.34 8.26 2dbnA1 PHE 161 HA -0.05 -0.00 0.33 -0.75 4.62 4.15 2dbnA1 PHE 161 HB2 -0.11 0.01 0.09 -0.04 3.15 3.10 2dbnA1 PHE 161 HB3 -0.19 0.11 0.15 -0.04 3.06 3.08 2dbnA1 PHE 161 HD2 -0.18 0.04 -0.11 -0.04 7.28 6.99 2dbnA1 PHE 161 HE2 -0.11 -0.01 -0.14 -0.04 7.38 7.08 2dbnA1 PHE 161 HZ -0.08 -0.04 -0.16 -0.04 7.32 6.99 2dbnA1 LEU 162 H -0.13 0.62 -0.18 -0.55 8.37 8.13 2dbnA1 LEU 162 HA -0.40 0.01 0.35 -0.75 4.35 3.56 2dbnA1 LEU 162 HB2 -0.42 0.08 0.06 -0.04 1.64 1.32 2dbnA1 LEU 162 HB3 -0.87 -0.05 -0.11 -0.04 1.64 0.56 2dbnA1 LEU 162 HG -0.41 0.10 -0.02 -0.04 1.64 1.26 2dbnA1 LEU 162 HD13 -1.63 -0.02 -0.20 -0.04 0.93 -0.96 2dbnA1 LEU 162 HD23 -0.65 -0.02 -0.16 -0.04 0.89 0.02 2dbnA1 ASN 163 H -0.04 0.70 -0.12 -0.55 8.53 8.52 2dbnA1 ASN 163 HA 0.26 -0.02 0.38 -0.75 4.76 4.63 2dbnA1 ASN 163 HB2 -0.03 0.24 0.18 -0.04 2.88 3.23 2dbnA1 ASN 163 HB3 0.04 -0.16 0.04 -0.04 2.79 2.68 2dbnA1 ASN 163 HD21 -0.19 -0.20 -0.16 -0.04 7.03 6.44 2dbnA1 ASN 163 HD22 -0.13 0.40 -0.05 -0.04 7.74 7.91 2dbnA1 ARG 164 H 0.02 0.49 -0.40 -0.55 8.46 8.02 2dbnA1 ARG 164 HA 0.39 0.04 0.56 -0.75 4.34 4.57 2dbnA1 ARG 164 HB2 -0.03 0.15 0.10 -0.04 1.90 2.08 2dbnA1 ARG 164 HB3 0.10 -0.09 0.12 -0.04 1.80 1.88 2dbnA1 ARG 164 HG2 0.17 -0.09 0.01 -0.04 1.67 1.72 2dbnA1 ARG 164 HG3 0.02 0.13 -0.03 -0.04 1.67 1.75 2dbnA1 ARG 164 HD2 0.04 0.02 -0.11 -0.04 3.22 3.13 2dbnA1 ARG 164 HD3 0.09 -0.04 -0.02 -0.04 3.22 3.21 2dbnA1 LEU 165 H 0.16 0.44 -0.53 -0.55 8.37 7.90 2dbnA1 LEU 165 HA -0.18 0.01 0.53 -0.75 4.35 3.95 2dbnA1 LEU 165 HB2 0.08 0.16 0.04 -0.04 1.64 1.87 2dbnA1 LEU 165 HB3 -0.65 -0.09 0.04 -0.04 1.64 0.90 2dbnA1 LEU 165 HG -0.52 0.21 0.04 -0.04 1.64 1.32 2dbnA1 LEU 165 HD13 -0.19 -0.03 -0.07 -0.04 0.93 0.59 2dbnA1 LEU 165 HD23 -0.43 -0.02 -0.03 -0.04 0.89 0.37 2dbnA1 TRP 166 H 0.68 0.30 -0.31 -0.55 7.97 8.10 2dbnA1 TRP 166 HA 0.40 0.13 0.68 -0.75 4.62 5.08 2dbnA1 TRP 166 HB2 0.60 0.20 0.09 -0.04 3.23 4.08 2dbnA1 TRP 166 HB3 0.39 -0.07 -0.11 -0.04 3.23 3.40 2dbnA1 TRP 166 HD1 0.52 0.11 0.01 -0.04 7.22 7.81 2dbnA1 TRP 166 HE1 -0.15 -0.01 -0.10 -0.04 10.20 9.90 2dbnA1 TRP 166 HE3 0.23 -0.03 -0.40 -0.04 7.59 7.34 2dbnA1 TRP 166 HZ2 -0.97 0.05 0.17 -0.04 7.44 6.65 2dbnA1 TRP 166 HZ3 0.05 0.13 -0.28 -0.04 7.13 6.99 2dbnA1 TRP 166 HH2 -0.22 -0.02 0.04 -0.04 7.19 6.95 2dbnA1 THR 167 H 0.32 0.74 0.28 -0.55 8.28 9.07 2dbnA1 THR 167 HA -0.11 0.11 0.77 -0.75 4.39 4.41 2dbnA1 THR 167 HB 0.05 -0.04 0.27 -0.04 4.32 4.56 2dbnA1 THR 167 HG23 -0.07 -0.03 -0.00 -0.04 1.22 1.08 2dbnA1 PHE 168 H -0.62 0.33 0.05 -0.55 8.34 7.54 2dbnA1 PHE 168 HA -0.30 0.08 0.79 -0.75 4.62 4.42 2dbnA1 PHE 168 HB2 -1.04 -0.12 0.14 -0.04 3.15 2.08 2dbnA1 PHE 168 HB3 -1.15 0.09 -0.03 -0.04 3.06 1.92 2dbnA1 PHE 168 HD2 -0.04 0.07 -0.07 -0.04 7.28 7.19 2dbnA1 PHE 168 HE2 0.01 0.02 0.04 -0.04 7.38 7.41 2dbnA1 PHE 168 HZ 0.01 -0.03 0.03 -0.04 7.32 7.29 2dbnA1 GLU 169 H -0.52 0.16 -0.00 -0.55 8.60 7.69 2dbnA1 GLU 169 HA -0.04 0.32 1.06 -0.75 4.29 4.88 2dbnA1 GLU 169 HB2 -0.40 0.00 0.14 -0.04 2.09 1.79 2dbnA1 GLU 169 HB3 -0.13 -0.04 -0.07 -0.04 1.99 1.71 2dbnA1 GLU 169 HG2 0.01 0.02 -0.05 -0.04 2.34 2.28 2dbnA1 GLU 169 HG3 -0.06 0.02 -0.07 -0.04 2.34 2.19 2dbnA1 SER 170 H 0.07 0.70 0.22 -0.55 8.46 8.90 2dbnA1 SER 170 HA 0.03 0.07 0.65 -0.75 4.49 4.49 2dbnA1 SER 170 HB2 0.19 0.01 0.03 -0.04 3.95 4.15 2dbnA1 SER 170 HB3 0.01 0.10 -0.15 -0.04 3.93 3.85 2dbnA1 ASP 171 H 0.05 0.16 0.13 -0.55 8.40 8.19 2dbnA1 ASP 171 HA 0.03 0.03 0.35 -0.75 4.63 4.29 2dbnA1 ASP 171 HB2 0.13 0.13 -0.21 -0.04 2.71 2.72 2dbnA1 ASP 171 HB3 0.06 0.03 0.21 -0.04 2.70 2.96 2dbnA1 GLY 172 H -0.01 0.04 -0.12 -0.55 8.43 7.80 2dbnA1 GLY 172 HA2 -0.04 -0.01 0.22 -0.51 4.01 3.67 2dbnA1 GLY 172 HA3 -0.03 0.06 0.33 -0.51 4.01 3.86 2dbnA1 LYS 173 H -0.07 0.14 -0.50 -0.55 8.42 7.44 2dbnA1 LYS 173 HA -0.21 0.12 0.78 -0.75 4.32 4.26 2dbnA1 LYS 173 HB2 -0.25 0.10 -0.13 -0.04 1.87 1.54 2dbnA1 LYS 173 HB3 -0.30 0.11 0.03 -0.04 1.79 1.59 2dbnA1 LYS 173 HG2 -1.22 -0.05 -0.45 -0.04 1.46 -0.29 2dbnA1 LYS 173 HG3 -0.54 -0.00 -0.02 -0.04 1.46 0.86 2dbnA1 LYS 173 HD2 -0.49 0.02 -0.03 -0.04 1.69 1.15 2dbnA1 LYS 173 HD3 -1.16 -0.03 -0.06 -0.04 1.68 0.39 2dbnA1 LYS 173 HE2 -1.96 -0.02 -0.10 -0.04 2.99 0.87 2dbnA1 LYS 173 HE3 -0.67 0.02 -0.04 -0.04 2.99 2.26 2dbnA1 GLN 174 H -0.23 0.20 0.09 -0.55 8.47 7.99 2dbnA1 GLN 174 HA -0.06 0.22 1.02 -0.75 4.36 4.78 2dbnA1 GLN 174 HB2 -0.01 -0.05 0.02 -0.04 2.15 2.07 2dbnA1 GLN 174 HB3 -0.07 -0.02 0.13 -0.04 2.02 2.03 2dbnA1 GLN 174 HG2 0.02 -0.01 -0.26 -0.04 2.40 2.12 2dbnA1 GLN 174 HG3 0.22 0.05 -0.00 -0.04 2.39 2.62 2dbnA1 GLN 174 HE21 0.04 -0.08 0.03 -0.04 6.97 6.92 2dbnA1 GLN 174 HE22 -0.05 0.32 0.14 -0.04 7.69 8.06 2dbnA1 TRP 175 H 0.08 0.73 0.34 -0.55 7.97 8.58 2dbnA1 TRP 175 HA -0.09 0.03 0.49 -0.75 4.62 4.30 2dbnA1 TRP 175 HB2 -0.28 0.07 0.11 -0.04 3.23 3.09 2dbnA1 TRP 175 HB3 -0.16 -0.07 -0.03 -0.04 3.23 2.93 2dbnA1 TRP 175 HD1 -0.22 0.16 -0.05 -0.04 7.22 7.07 2dbnA1 TRP 175 HE1 -0.18 0.10 -0.00 -0.04 10.20 10.07 2dbnA1 TRP 175 HE3 -0.17 0.03 0.03 -0.04 7.59 7.44 2dbnA1 TRP 175 HZ2 -0.31 0.09 -0.03 -0.04 7.44 7.15 2dbnA1 TRP 175 HZ3 -0.14 0.05 0.02 -0.04 7.13 7.02 2dbnA1 TRP 175 HH2 -0.32 0.07 -0.01 -0.04 7.19 6.89 2dbnA1 PHE 176 H -0.10 0.24 0.02 -0.55 8.34 7.94 2dbnA1 PHE 176 HA 0.01 0.17 0.51 -0.75 4.62 4.56 2dbnA1 PHE 176 HB2 0.00 0.12 -0.15 -0.04 3.15 3.09 2dbnA1 PHE 176 HB3 0.05 0.03 -0.19 -0.04 3.06 2.91 2dbnA1 PHE 176 HD2 -0.11 -0.03 -0.57 -0.04 7.28 6.53 2dbnA1 PHE 176 HE2 -0.26 0.03 -0.12 -0.04 7.38 6.99 2dbnA1 PHE 176 HZ -0.07 0.12 -0.03 -0.04 7.32 7.30 2dbnA1 ASN 177 H 0.15 0.68 0.18 -0.55 8.53 9.00 2dbnA1 ASN 177 HA -0.05 0.14 0.78 -0.75 4.76 4.87 2dbnA1 ASN 177 HB2 0.01 0.02 0.06 -0.04 2.88 2.93 2dbnA1 ASN 177 HB3 0.01 0.02 0.26 -0.04 2.79 3.03 2dbnA1 ASN 177 HD21 -0.02 0.01 -0.08 -0.04 7.03 6.90 2dbnA1 ASN 177 HD22 -0.01 0.04 -0.02 -0.04 7.74 7.71 2dbnA1 PRO 178 HA -0.06 0.10 0.38 -0.51 4.44 4.36 2dbnA1 PRO 178 HB2 -0.13 0.10 -0.11 -0.04 2.28 2.09 2dbnA1 PRO 178 HB3 -0.26 0.09 -0.10 -0.04 2.02 1.71 2dbnA1 PRO 178 HG2 -0.26 -0.01 0.00 -0.04 2.03 1.72 2dbnA1 PRO 178 HG3 -1.10 0.06 0.02 -0.04 2.03 0.97 2dbnA1 PRO 178 HD2 -0.31 0.02 0.24 -0.04 3.68 3.58 2dbnA1 PRO 178 HD3 -1.02 0.28 0.16 -0.04 3.65 3.02 2dbnA1 ASP 179 H -0.10 0.04 -0.31 -0.55 8.40 7.49 2dbnA1 ASP 179 HA -0.06 0.19 0.58 -0.75 4.63 4.59 2dbnA1 ASP 179 HB2 -0.05 -0.03 -0.01 -0.04 2.71 2.59 2dbnA1 ASP 179 HB3 -0.04 0.01 0.09 -0.04 2.70 2.71 2dbnA1 VAL 180 H -0.06 0.32 -0.35 -0.55 8.24 7.59 2dbnA1 VAL 180 HA -0.08 0.18 0.80 -0.75 4.13 4.28 2dbnA1 VAL 180 HB -0.03 -0.08 0.05 -0.04 2.12 2.02 2dbnA1 VAL 180 HG13 -0.02 0.02 -0.30 -0.04 0.97 0.62 2dbnA1 VAL 180 HG23 -0.04 -0.02 -0.20 -0.04 0.95 0.65 2dbnA1 SER 181 H -0.05 0.22 0.05 -0.55 8.46 8.14 2dbnA1 SER 181 HA -0.07 0.19 0.88 -0.75 4.49 4.74 2dbnA1 SER 181 HB2 -0.02 0.01 -0.00 -0.04 3.95 3.90 2dbnA1 SER 181 HB3 -0.03 0.01 -0.05 -0.04 3.93 3.82 2dbnA1 VAL 182 H -0.02 0.52 0.20 -0.55 8.24 8.39 2dbnA1 VAL 182 HA 0.04 0.18 0.58 -0.75 4.13 4.18 2dbnA1 VAL 182 HB 0.04 -0.11 0.04 -0.04 2.12 2.05 2dbnA1 VAL 182 HG13 0.09 0.01 -0.11 -0.04 0.97 0.92 2dbnA1 VAL 182 HG23 0.13 0.10 0.07 -0.04 0.95 1.21 2dbnA1 ILE 183 H 0.09 0.45 0.23 -0.55 8.25 8.46 2dbnA1 ILE 183 HA 0.10 0.06 0.48 -0.75 4.18 4.06 2dbnA1 ILE 183 HB 0.11 -0.01 0.12 -0.04 1.89 2.07 2dbnA1 ILE 183 HG12 0.07 0.04 -0.05 -0.04 1.49 1.50 2dbnA1 ILE 183 HG13 0.08 -0.03 -0.07 -0.04 1.21 1.15 2dbnA1 ILE 183 HG23 0.10 -0.01 -0.18 -0.04 0.93 0.80 2dbnA1 ILE 183 HD13 0.04 -0.01 -0.12 -0.04 0.88 0.75 2dbnA1 TYR 184 H 0.19 0.21 0.05 -0.55 8.29 8.20 2dbnA1 TYR 184 HA 0.24 0.18 0.88 -0.75 4.56 5.10 2dbnA1 TYR 184 HB2 0.07 0.02 -0.14 -0.04 3.06 2.97 2dbnA1 TYR 184 HB3 0.07 -0.01 0.12 -0.04 2.98 3.13 2dbnA1 TYR 184 HD2 0.12 0.01 -0.08 -0.04 7.15 7.16 2dbnA1 TYR 184 HE2 -0.24 -0.07 -0.04 -0.04 6.85 6.45 2dbnA1 PRO 185 HA -0.20 0.02 0.46 -0.51 4.44 4.21 2dbnA1 PRO 185 HB2 -0.66 0.02 -0.02 -0.04 2.28 1.58 2dbnA1 PRO 185 HB3 -0.45 0.02 0.04 -0.04 2.02 1.59 2dbnA1 PRO 185 HG2 -0.16 -0.03 0.09 -0.04 2.03 1.89 2dbnA1 PRO 185 HG3 0.02 0.01 0.04 -0.04 2.03 2.07 2dbnA1 PRO 185 HD2 0.08 0.11 0.14 -0.04 3.68 3.98 2dbnA1 PRO 185 HD3 0.09 0.14 -0.17 -0.04 3.65 3.66 2dbnA1 ASP 186 H -0.17 0.19 0.30 -0.55 8.40 8.18 2dbnA1 ASP 186 HA -0.37 0.13 0.81 -0.75 4.63 4.45 2dbnA1 ASP 186 HB2 0.14 0.14 -0.06 -0.04 2.71 2.89 2dbnA1 ASP 186 HB3 0.13 0.09 0.14 -0.04 2.70 3.02 2dbnA1 ARG 187 H -0.11 0.09 0.17 -0.55 8.46 8.05 2dbnA1 ARG 187 HA -0.50 0.30 0.86 -0.75 4.34 4.25 2dbnA1 ARG 187 HB2 -0.04 -0.07 0.06 -0.04 1.90 1.81 2dbnA1 ARG 187 HB3 -0.16 0.12 0.20 -0.04 1.80 1.91 2dbnA1 ARG 187 HG2 -0.72 0.03 0.08 -0.04 1.67 1.02 2dbnA1 ARG 187 HG3 -0.55 -0.08 -0.09 -0.04 1.67 0.92 2dbnA1 ARG 187 HD2 -0.03 -0.00 -0.20 -0.04 3.22 2.95 2dbnA1 ARG 187 HD3 0.07 -0.02 -0.07 -0.04 3.22 3.15 2dbnA1 ILE 188 H -0.16 0.23 0.37 -0.55 8.25 8.15 2dbnA1 ILE 188 HA -0.14 0.20 1.05 -0.75 4.18 4.54 2dbnA1 ILE 188 HB -0.18 -0.01 0.08 -0.04 1.89 1.74 2dbnA1 ILE 188 HG12 -0.18 0.07 0.08 -0.04 1.49 1.42 2dbnA1 ILE 188 HG13 -0.16 -0.11 -0.05 -0.04 1.21 0.86 2dbnA1 ILE 188 HG23 -0.09 -0.02 0.01 -0.04 0.93 0.79 2dbnA1 ILE 188 HD13 -0.10 -0.04 -0.09 -0.04 0.88 0.61 2dbnA1 ARG 189 H -0.18 0.55 0.38 -0.55 8.46 8.65 2dbnA1 ARG 189 HA 0.03 0.23 1.11 -0.75 4.34 4.97 2dbnA1 ARG 189 HB2 0.14 -0.01 -0.03 -0.04 1.90 1.97 2dbnA1 ARG 189 HB3 -0.16 -0.07 0.15 -0.04 1.80 1.68 2dbnA1 ARG 189 HG2 -0.01 0.05 -0.17 -0.04 1.67 1.50 2dbnA1 ARG 189 HG3 0.04 -0.02 -0.11 -0.04 1.67 1.55 2dbnA1 ARG 189 HD2 0.03 0.01 -0.11 -0.04 3.22 3.11 2dbnA1 ARG 189 HD3 0.10 -0.02 -0.09 -0.04 3.22 3.17 2dbnA1 ARG 190 H 0.06 0.60 0.32 -0.55 8.46 8.89 2dbnA1 ARG 190 HA 0.08 0.06 0.92 -0.75 4.34 4.66 2dbnA1 ARG 190 HB2 0.28 0.05 0.08 -0.04 1.90 2.28 2dbnA1 ARG 190 HB3 0.27 -0.03 -0.04 -0.04 1.80 1.96 2dbnA1 ARG 190 HG2 0.03 0.09 -0.34 -0.04 1.67 1.41 2dbnA1 ARG 190 HG3 0.20 0.00 -0.27 -0.04 1.67 1.56 2dbnA1 ARG 190 HD2 -0.03 -0.03 -0.07 -0.04 3.22 3.05 2dbnA1 ARG 190 HD3 -0.13 -0.03 -0.09 -0.04 3.22 2.93 2dbnA1 ARG 191 H 0.14 0.11 -0.16 -0.55 8.46 7.99 2dbnA1 ARG 191 HA -0.02 0.26 0.89 -0.75 4.34 4.72 2dbnA1 ARG 191 HB2 -0.01 -0.02 0.16 -0.04 1.90 1.99 2dbnA1 ARG 191 HB3 -0.05 0.09 -0.04 -0.04 1.80 1.76 2dbnA1 ARG 191 HG2 -0.02 0.00 -0.02 -0.04 1.67 1.59 2dbnA1 ARG 191 HG3 -0.01 -0.11 -0.37 -0.04 1.67 1.14 2dbnA1 ARG 191 HD2 -0.01 -0.05 -0.07 -0.04 3.22 3.05 2dbnA1 ARG 191 HD3 -0.03 0.03 -0.06 -0.04 3.22 3.12 2dbnA1 PRO 192 HA -1.78 0.01 0.56 -0.51 4.44 2.72 2dbnA1 PRO 192 HB2 -0.70 0.11 0.02 -0.04 2.28 1.67 2dbnA1 PRO 192 HB3 -0.75 -0.08 0.03 -0.04 2.02 1.17 2dbnA1 PRO 192 HG2 -0.23 0.09 -0.08 -0.04 2.03 1.78 2dbnA1 PRO 192 HG3 -0.12 0.02 -0.01 -0.04 2.03 1.88 2dbnA1 PRO 192 HD2 -0.09 0.21 0.14 -0.04 3.68 3.90 2dbnA1 PRO 192 HD3 0.00 0.10 -0.06 -0.04 3.65 3.65 2dbnA1 PRO 193 HA -0.29 0.28 0.33 -0.51 4.44 4.26 2dbnA1 PRO 193 HB2 -0.28 -0.03 0.03 -0.04 2.28 1.96 2dbnA1 PRO 193 HB3 -0.20 -0.04 0.13 -0.04 2.02 1.87 2dbnA1 PRO 193 HG2 -0.37 -0.05 0.02 -0.04 2.03 1.58 2dbnA1 PRO 193 HG3 -0.54 0.00 -0.21 -0.04 2.03 1.24 2dbnA1 PRO 193 HD2 -1.24 0.06 0.14 -0.04 3.68 2.60 2dbnA1 PRO 193 HD3 -3.06 0.03 0.09 -0.04 3.65 0.67 2dbnA1 GLY 194 H -0.14 0.79 0.12 -0.55 8.43 8.66 2dbnA1 GLY 194 HA2 -0.08 -0.07 0.27 -0.51 4.01 3.62 2dbnA1 GLY 194 HA3 -0.11 0.12 0.66 -0.51 4.01 4.17 2dbnA1 THR 195 H -0.15 0.41 -0.26 -0.55 8.28 7.74 2dbnA1 THR 195 HA -0.07 0.17 0.33 -0.75 4.39 4.06 2dbnA1 THR 195 HB -0.09 -0.08 -0.08 -0.04 4.32 4.03 2dbnA1 THR 195 HG23 -0.04 0.01 -0.32 -0.04 1.22 0.83 2dbnA1 THR 196 H -0.04 0.66 0.22 -0.55 8.28 8.57 2dbnA1 THR 196 HA -0.02 0.16 0.89 -0.75 4.39 4.67 2dbnA1 THR 196 HB -0.02 0.04 0.22 -0.04 4.32 4.52 2dbnA1 THR 196 HG23 -0.01 -0.00 -0.01 -0.04 1.22 1.16 2dbnA1 SER 197 H -0.01 0.59 0.31 -0.55 8.46 8.80 2dbnA1 SER 197 HA -0.00 0.15 0.89 -0.75 4.49 4.77 2dbnA1 SER 197 HB2 -0.00 0.12 -0.12 -0.04 3.95 3.90 2dbnA1 SER 197 HB3 0.00 0.04 0.01 -0.04 3.93 3.94 2dbnA1 LYS 198 H 0.01 0.19 0.18 -0.55 8.42 8.24 2dbnA1 LYS 198 HA 0.00 0.06 0.53 -0.75 4.32 4.16 2dbnA1 LYS 198 HB2 0.01 0.06 0.10 -0.04 1.87 2.00 2dbnA1 LYS 198 HB3 0.01 0.00 0.10 -0.04 1.79 1.86 2dbnA1 LYS 198 HG2 0.00 -0.02 0.05 -0.04 1.46 1.45 2dbnA1 LYS 198 HG3 0.00 0.00 0.04 -0.04 1.46 1.46 2dbnA1 LYS 198 HD2 0.00 -0.00 0.03 -0.04 1.69 1.68 2dbnA1 LYS 198 HD3 0.00 0.02 -0.04 -0.04 1.68 1.62 2dbnA1 LYS 198 HE2 0.00 0.01 -0.03 -0.04 2.99 2.93 2dbnA1 LYS 198 HE3 0.00 -0.01 -0.00 -0.04 2.99 2.94 2dbnA1 GLY 199 H 0.01 -0.09 -0.37 -0.55 8.43 7.44 2dbnA1 GLY 199 HA2 0.03 0.01 0.06 -0.51 4.01 3.61 2dbnA1 GLY 199 HA3 0.02 0.25 0.21 -0.51 4.01 3.97 2dbnA1 LEU 200 H 0.05 0.49 0.25 -0.55 8.37 8.61 2dbnA1 LEU 200 HA 0.02 0.13 0.90 -0.75 4.35 4.64 2dbnA1 LEU 200 HB2 0.11 -0.10 0.04 -0.04 1.64 1.64 2dbnA1 LEU 200 HB3 0.05 0.14 -0.05 -0.04 1.64 1.74 2dbnA1 LEU 200 HG 0.06 -0.06 -0.31 -0.04 1.64 1.28 2dbnA1 LEU 200 HD13 0.11 0.00 -0.12 -0.04 0.93 0.88 2dbnA1 LEU 200 HD23 -0.01 0.03 -0.03 -0.04 0.89 0.85 2dbnA1 GLY 201 H 0.01 0.09 0.09 -0.55 8.43 8.07 2dbnA1 GLY 201 HA2 0.03 0.02 0.41 -0.51 4.01 3.96 2dbnA1 GLY 201 HA3 0.04 0.02 0.32 -0.51 4.01 3.88 2dbnA1 ALA 202 H 0.05 0.03 0.17 -0.55 8.40 8.10 2dbnA1 ALA 202 HA -0.00 0.28 0.32 -0.75 4.34 4.19 2dbnA1 ALA 202 HB3 0.01 0.03 0.00 -0.04 1.41 1.41 2dbnA1 HIS 203 H -0.32 0.47 0.42 -0.55 8.41 8.43 2dbnA1 HIS 203 HA -0.03 0.09 0.63 -0.75 4.63 4.56 2dbnA1 HIS 203 HB2 -0.01 0.07 0.03 -0.04 3.26 3.30 2dbnA1 HIS 203 HB3 -0.03 0.02 -0.33 -0.04 3.20 2.82 2dbnA1 HIS 203 HD2 0.01 0.04 -0.35 -0.04 6.97 6.62 2dbnA1 HIS 203 HE1 -0.10 -0.10 -0.18 -0.04 7.75 7.33 2dbnA1 THR 204 H 0.11 0.44 0.30 -0.55 8.28 8.58 2dbnA1 THR 204 HA 0.07 0.24 0.83 -0.75 4.39 4.78 2dbnA1 THR 204 HB 0.09 0.13 0.04 -0.04 4.32 4.54 2dbnA1 THR 204 HG23 -0.00 -0.01 -0.32 -0.04 1.22 0.84 2dbnA1 ASP 205 H 0.24 0.26 0.10 -0.55 8.40 8.45 2dbnA1 ASP 205 HA 0.18 0.10 0.87 -0.75 4.63 5.02 2dbnA1 ASP 205 HB2 0.20 0.10 0.08 -0.04 2.71 3.05 2dbnA1 ASP 205 HB3 0.13 -0.22 0.21 -0.04 2.70 2.79 2dbnA1 SER 206 H 0.08 0.09 0.16 -0.55 8.46 8.23 2dbnA1 SER 206 HA 0.06 -0.02 0.36 -0.75 4.49 4.14 2dbnA1 SER 206 HB2 0.13 0.34 -0.01 -0.04 3.95 4.36 2dbnA1 SER 206 HB3 0.18 -0.04 0.23 -0.04 3.93 4.26 2dbnA1 GLY 207 H 0.08 -0.02 -0.19 -0.55 8.43 7.75 2dbnA1 GLY 207 HA2 0.06 -0.13 0.32 -0.51 4.01 3.75 2dbnA1 GLY 207 HA3 0.13 0.18 0.65 -0.51 4.01 4.45 2dbnA1 ALA 208 H 0.08 -0.09 0.06 -0.55 8.40 7.91 2dbnA1 ALA 208 HA 0.14 0.34 0.84 -0.75 4.34 4.90 2dbnA1 ALA 208 HB3 0.14 -0.01 0.09 -0.04 1.41 1.59 2dbnA1 LEU 209 H 0.20 0.19 0.11 -0.55 8.37 8.32 2dbnA1 LEU 209 HA 0.42 0.19 0.33 -0.75 4.35 4.53 2dbnA1 LEU 209 HB2 0.17 0.05 0.01 -0.04 1.64 1.84 2dbnA1 LEU 209 HB3 0.32 -0.07 0.05 -0.04 1.64 1.90 2dbnA1 LEU 209 HG 0.37 -0.02 -0.15 -0.04 1.64 1.80 2dbnA1 LEU 209 HD13 0.12 0.03 0.00 -0.04 0.93 1.04 2dbnA1 LEU 209 HD23 0.16 0.00 -0.02 -0.04 0.89 0.99 2dbnA1 GLU 210 H 0.07 -0.08 -0.33 -0.55 8.60 7.71 2dbnA1 GLU 210 HA -0.02 0.06 0.32 -0.75 4.29 3.89 2dbnA1 GLU 210 HB2 0.04 0.03 -0.04 -0.04 2.09 2.08 2dbnA1 GLU 210 HB3 -0.01 0.07 -0.04 -0.04 1.99 1.96 2dbnA1 GLU 210 HG2 -0.61 0.16 0.04 -0.04 2.34 1.89 2dbnA1 GLU 210 HG3 -1.85 0.04 0.02 -0.04 2.34 0.51 2dbnA1 ARG 211 H 0.04 0.45 -0.48 -0.55 8.46 7.92 2dbnA1 ARG 211 HA -0.42 0.01 0.28 -0.75 4.34 3.46 2dbnA1 ARG 211 HB2 -0.64 0.17 -0.01 -0.04 1.90 1.37 2dbnA1 ARG 211 HB3 -0.83 -0.00 -0.01 -0.04 1.80 0.92 2dbnA1 ARG 211 HG2 -1.09 -0.02 -0.05 -0.04 1.67 0.47 2dbnA1 ARG 211 HG3 -0.36 -0.17 -0.20 -0.04 1.67 0.90 2dbnA1 ARG 211 HD2 -0.26 0.00 -0.05 -0.04 3.22 2.87 2dbnA1 ARG 211 HD3 -0.48 -0.07 -0.04 -0.04 3.22 2.59 2dbnA1 TRP 212 H 0.44 0.28 -0.45 -0.55 7.97 7.69 2dbnA1 TRP 212 HA 0.10 0.21 0.83 -0.75 4.62 5.01 2dbnA1 TRP 212 HB2 0.04 0.01 0.06 -0.04 3.23 3.30 2dbnA1 TRP 212 HB3 -0.06 -0.01 -0.07 -0.04 3.23 3.05 2dbnA1 TRP 212 HD1 -0.13 -0.02 -0.04 -0.04 7.22 6.99 2dbnA1 TRP 212 HE1 0.10 0.49 0.10 -0.04 10.20 10.84 2dbnA1 TRP 212 HE3 0.02 -0.03 -0.03 -0.04 7.59 7.51 2dbnA1 TRP 212 HZ2 -0.03 0.23 -0.05 -0.04 7.44 7.56 2dbnA1 TRP 212 HZ3 -0.02 -0.10 -0.23 -0.04 7.13 6.74 2dbnA1 TRP 212 HH2 -0.03 0.01 -0.11 -0.04 7.19 7.02 2dbnA1 LEU 213 H 0.38 0.27 0.08 -0.55 8.37 8.55 2dbnA1 LEU 213 HA 0.37 0.24 0.76 -0.75 4.35 4.98 2dbnA1 LEU 213 HB2 0.39 -0.06 -0.02 -0.04 1.64 1.91 2dbnA1 LEU 213 HB3 0.28 0.01 0.10 -0.04 1.64 1.99 2dbnA1 LEU 213 HG 0.29 0.02 -0.05 -0.04 1.64 1.86 2dbnA1 LEU 213 HD13 0.20 -0.02 -0.04 -0.04 0.93 1.03 2dbnA1 LEU 213 HD23 0.27 0.07 -0.25 -0.04 0.89 0.94 2dbnA1 LEU 214 H 0.24 0.53 0.02 -0.55 8.37 8.63 2dbnA1 LEU 214 HA 0.15 0.27 0.58 -0.75 4.35 4.60 2dbnA1 LEU 214 HB2 0.11 0.05 0.19 -0.04 1.64 1.94 2dbnA1 LEU 214 HB3 0.15 -0.24 0.06 -0.04 1.64 1.57 2dbnA1 LEU 214 HG -0.01 -0.16 0.04 -0.04 1.64 1.47 2dbnA1 LEU 214 HD13 0.06 0.06 0.08 -0.04 0.93 1.09 2dbnA1 LEU 214 HD23 -0.13 -0.09 -0.02 -0.04 0.89 0.62 2dbnA1 PRO 215 HA -0.02 0.10 0.32 -0.51 4.44 4.33 2dbnA1 PRO 215 HB2 -0.01 0.01 0.01 -0.04 2.28 2.24 2dbnA1 PRO 215 HB3 -0.04 0.03 0.00 -0.04 2.02 1.98 2dbnA1 PRO 215 HG2 0.00 0.01 -0.05 -0.04 2.03 1.95 2dbnA1 PRO 215 HG3 -0.03 0.07 -0.07 -0.04 2.03 1.95 2dbnA1 PRO 215 HD2 0.05 0.08 0.07 -0.04 3.68 3.85 2dbnA1 PRO 215 HD3 0.07 0.26 0.03 -0.04 3.65 3.98 2dbnA1 ALA 216 H -0.02 0.14 -0.28 -0.55 8.40 7.69 2dbnA1 ALA 216 HA -0.10 0.05 0.33 -0.75 4.34 3.86 2dbnA1 ALA 216 HB3 -0.16 0.06 -0.09 -0.04 1.41 1.18 2dbnA1 TYR 217 H 0.07 0.14 -0.30 -0.55 8.29 7.65 2dbnA1 TYR 217 HA -0.13 0.04 0.44 -0.75 4.56 4.16 2dbnA1 TYR 217 HB2 0.08 0.08 0.01 -0.04 3.06 3.20 2dbnA1 TYR 217 HB3 0.25 0.23 -0.05 -0.04 2.98 3.37 2dbnA1 TYR 217 HD2 -0.19 -0.03 -0.22 -0.04 7.15 6.67 2dbnA1 TYR 217 HE2 -0.03 0.00 -0.05 -0.04 6.85 6.73 2dbnA1 GLN 218 H 0.15 0.41 -0.38 -0.55 8.47 8.10 2dbnA1 GLN 218 HA 0.34 0.10 0.32 -0.75 4.36 4.38 2dbnA1 GLN 218 HB2 0.05 0.07 0.04 -0.04 2.15 2.26 2dbnA1 GLN 218 HB3 0.09 -0.09 -0.08 -0.04 2.02 1.90 2dbnA1 GLN 218 HG2 0.17 0.13 -0.23 -0.04 2.40 2.44 2dbnA1 GLN 218 HG3 0.02 -0.11 -0.10 -0.04 2.39 2.17 2dbnA1 GLN 218 HE21 -0.83 -0.08 0.01 -0.04 6.97 6.04 2dbnA1 GLN 218 HE22 0.11 0.41 0.03 -0.04 7.69 8.21 2dbnA1 ARG 219 H -0.02 0.34 -0.41 -0.55 8.46 7.83 2dbnA1 ARG 219 HA -0.04 0.02 0.47 -0.75 4.34 4.04 2dbnA1 ARG 219 HB2 -0.33 0.16 0.12 -0.04 1.90 1.80 2dbnA1 ARG 219 HB3 -0.50 -0.07 -0.02 -0.04 1.80 1.16 2dbnA1 ARG 219 HG2 -0.15 -0.06 -0.05 -0.04 1.67 1.37 2dbnA1 ARG 219 HG3 -0.17 0.31 0.04 -0.04 1.67 1.81 2dbnA1 ARG 219 HD2 -0.20 -0.05 -0.07 -0.04 3.22 2.87 2dbnA1 ARG 219 HD3 -0.68 -0.03 -0.04 -0.04 3.22 2.43 2dbnA1 VAL 220 H -0.08 0.47 -0.03 -0.55 8.24 8.05 2dbnA1 VAL 220 HA -0.07 0.08 0.38 -0.75 4.13 3.76 2dbnA1 VAL 220 HB -0.34 0.03 0.14 -0.04 2.12 1.91 2dbnA1 VAL 220 HG13 -0.57 0.00 -0.13 -0.04 0.97 0.23 2dbnA1 VAL 220 HG23 -0.20 0.09 -0.07 -0.04 0.95 0.74 2dbnA1 PHE 221 H 0.04 0.71 -0.28 -0.55 8.34 8.25 2dbnA1 PHE 221 HA -0.11 0.12 0.74 -0.75 4.62 4.62 2dbnA1 PHE 221 HB2 -0.02 0.20 0.07 -0.04 3.15 3.36 2dbnA1 PHE 221 HB3 -0.63 -0.16 0.15 -0.04 3.06 2.38 2dbnA1 PHE 221 HD2 -0.33 0.07 -0.04 -0.04 7.28 6.94 2dbnA1 PHE 221 HE2 -0.45 -0.03 -0.05 -0.04 7.38 6.82 2dbnA1 PHE 221 HZ -0.16 0.02 -0.04 -0.04 7.32 7.09 2dbnA1 ALA 222 H 0.10 0.47 -0.64 -0.55 8.40 7.78 2dbnA1 ALA 222 HA 0.20 0.11 0.37 -0.75 4.34 4.26 2dbnA1 ALA 222 HB3 0.07 -0.00 0.10 -0.04 1.41 1.53 2dbnA1 ASN 223 H 0.10 0.23 -0.26 -0.55 8.53 8.06 2dbnA1 ASN 223 HA 0.05 0.04 0.36 -0.75 4.76 4.45 2dbnA1 ASN 223 HB2 0.15 0.03 -0.18 -0.04 2.88 2.83 2dbnA1 ASN 223 HB3 0.07 0.20 -0.11 -0.04 2.79 2.91 2dbnA1 ASN 223 HD21 -0.02 -0.05 -0.02 -0.04 7.03 6.89 2dbnA1 ASN 223 HD22 0.02 0.17 -0.14 -0.04 7.74 7.75 2dbnA1 VAL 224 H -0.09 0.45 -0.59 -0.55 8.24 7.46 2dbnA1 VAL 224 HA -0.19 0.06 0.61 -0.75 4.13 3.86 2dbnA1 VAL 224 HB -0.71 0.21 0.14 -0.04 2.12 1.72 2dbnA1 VAL 224 HG13 -0.59 -0.01 -0.13 -0.04 0.97 0.21 2dbnA1 VAL 224 HG23 -0.75 -0.02 -0.05 -0.04 0.95 0.09 2dbnA1 PHE 225 H -0.13 0.56 0.06 -0.55 8.34 8.27 2dbnA1 PHE 225 HA 0.01 0.08 0.39 -0.75 4.62 4.35 2dbnA1 PHE 225 HB2 0.07 0.08 0.06 -0.04 3.15 3.32 2dbnA1 PHE 225 HB3 0.07 -0.04 0.09 -0.04 3.06 3.14 2dbnA1 PHE 225 HD2 0.07 0.01 -0.08 -0.04 7.28 7.24 2dbnA1 PHE 225 HE2 0.06 0.14 -0.08 -0.04 7.38 7.46 2dbnA1 PHE 225 HZ -0.63 0.02 -0.06 -0.04 7.32 6.61 2dbnA1 ASN 226 H 0.08 0.14 -0.50 -0.55 8.53 7.71 2dbnA1 ASN 226 HA 0.09 0.25 0.82 -0.75 4.76 5.17 2dbnA1 ASN 226 HB2 0.06 -0.02 0.11 -0.04 2.88 2.98 2dbnA1 ASN 226 HB3 0.09 0.03 -0.01 -0.04 2.79 2.85 2dbnA1 ASN 226 HD21 0.05 -0.09 -0.19 -0.04 7.03 6.76 2dbnA1 ASN 226 HD22 0.06 -0.01 -0.11 -0.04 7.74 7.63 2dbnA1 GLY 227 H 0.03 0.37 -0.43 -0.55 8.43 7.85 2dbnA1 GLY 227 HA2 0.02 0.03 0.31 -0.51 4.01 3.86 2dbnA1 GLY 227 HA3 0.03 0.16 0.51 -0.51 4.01 4.19 2dbnA1 ASN 228 H 0.03 0.11 -0.43 -0.55 8.53 7.68 2dbnA1 ASN 228 HA 0.02 0.09 0.62 -0.75 4.76 4.73 2dbnA1 ASN 228 HB2 0.03 -0.00 0.13 -0.04 2.88 3.00 2dbnA1 ASN 228 HB3 0.02 -0.08 0.14 -0.04 2.79 2.84 2dbnA1 ASN 228 HD21 0.02 0.03 -0.03 -0.04 7.03 7.02 2dbnA1 ASN 228 HD22 0.02 -0.04 -0.02 -0.04 7.74 7.66 2dbnA1 LEU 229 H 0.01 0.43 -0.35 -0.55 8.37 7.91 2dbnA1 LEU 229 HA 0.04 0.11 0.29 -0.75 4.35 4.04 2dbnA1 LEU 229 HB2 -0.00 0.00 0.10 -0.04 1.64 1.71 2dbnA1 LEU 229 HB3 0.01 0.00 -0.02 -0.04 1.64 1.59 2dbnA1 LEU 229 HG -0.04 -0.01 0.02 -0.04 1.64 1.57 2dbnA1 LEU 229 HD13 -0.08 0.00 0.01 -0.04 0.93 0.82 2dbnA1 LEU 229 HD23 -0.03 0.08 -0.00 -0.04 0.89 0.90 2dbnA1 ALA 230 H 0.01 0.10 -0.23 -0.55 8.40 7.73 2dbnA1 ALA 230 HA 0.01 0.09 0.40 -0.75 4.34 4.08 2dbnA1 ALA 230 HB3 0.00 -0.00 0.05 -0.04 1.41 1.42 2dbnA1 GLN 231 H 0.03 0.46 -0.45 -0.55 8.47 7.95 2dbnA1 GLN 231 HA -0.02 0.15 0.77 -0.75 4.36 4.51 2dbnA1 GLN 231 HB2 0.02 0.13 0.06 -0.04 2.15 2.31 2dbnA1 GLN 231 HB3 -0.02 -0.06 0.12 -0.04 2.02 2.03 2dbnA1 GLN 231 HG2 -0.01 0.01 -0.09 -0.04 2.40 2.27 2dbnA1 GLN 231 HG3 0.01 -0.09 -0.12 -0.04 2.39 2.14 2dbnA1 GLN 231 HE21 0.01 -0.01 -0.01 -0.04 6.97 6.92 2dbnA1 GLN 231 HE22 0.01 -0.03 -0.01 -0.04 7.69 7.62 2dbnA1 TYR 232 H 0.10 0.47 -0.23 -0.55 8.29 8.08 2dbnA1 TYR 232 HA -0.04 0.04 0.66 -0.75 4.56 4.46 2dbnA1 TYR 232 HB2 -0.03 -0.09 -0.17 -0.04 3.06 2.72 2dbnA1 TYR 232 HB3 -0.04 0.13 0.12 -0.04 2.98 3.15 2dbnA1 TYR 232 HD2 -0.02 -0.01 -0.04 -0.04 7.15 7.03 2dbnA1 TYR 232 HE2 -0.02 0.07 -0.08 -0.04 6.85 6.78 2dbnA1 ASP 233 H -0.48 0.22 0.15 -0.55 8.40 7.74 2dbnA1 ASP 233 HA -0.35 0.25 0.90 -0.75 4.63 4.68 2dbnA1 ASP 233 HB2 -0.13 0.10 -0.08 -0.04 2.71 2.55 2dbnA1 ASP 233 HB3 -0.16 -0.01 0.16 -0.04 2.70 2.66 2dbnA1 PRO 234 HA -0.37 0.13 0.44 -0.51 4.44 4.13 2dbnA1 PRO 234 HB2 -1.12 0.03 -0.03 -0.04 2.28 1.12 2dbnA1 PRO 234 HB3 -0.33 0.06 -0.04 -0.04 2.02 1.66 2dbnA1 PRO 234 HG2 -0.56 0.07 0.03 -0.04 2.03 1.53 2dbnA1 PRO 234 HG3 -0.31 -0.01 -0.06 -0.04 2.03 1.60 2dbnA1 PRO 234 HD2 -0.24 0.13 0.23 -0.04 3.68 3.76 2dbnA1 PRO 234 HD3 -0.46 0.16 0.01 -0.04 3.65 3.32 2dbnA1 TRP 235 H -0.19 0.04 -0.45 -0.55 7.97 6.81 2dbnA1 TRP 235 HA -1.23 0.23 0.71 -0.75 4.62 3.57 2dbnA1 TRP 235 HB2 -0.26 -0.03 0.05 -0.04 3.23 2.95 2dbnA1 TRP 235 HB3 -0.41 0.03 0.20 -0.04 3.23 3.01 2dbnA1 TRP 235 HD1 -0.26 -0.04 0.02 -0.04 7.22 6.89 2dbnA1 TRP 235 HE1 -0.23 0.41 0.15 -0.04 10.20 10.49 2dbnA1 TRP 235 HE3 -1.59 -0.05 -0.15 -0.04 7.59 5.76 2dbnA1 TRP 235 HZ2 -0.10 0.08 0.10 -0.04 7.44 7.48 2dbnA1 TRP 235 HZ3 -0.15 0.00 -0.12 -0.04 7.13 6.83 2dbnA1 TRP 235 HH2 0.19 -0.04 -0.12 -0.04 7.19 7.17 2dbnA1 HIS 236 H -0.01 0.50 -0.30 -0.55 8.41 8.06 2dbnA1 HIS 236 HA 0.09 0.03 0.75 -0.75 4.63 4.75 2dbnA1 HIS 236 HB2 -0.08 -0.03 0.17 -0.04 3.26 3.29 2dbnA1 HIS 236 HB3 -0.07 0.11 0.20 -0.04 3.20 3.40 2dbnA1 HIS 236 HD2 -0.02 -0.00 0.05 -0.04 6.97 6.96 2dbnA1 HIS 236 HE1 -0.06 -0.03 -0.02 -0.04 7.75 7.60 2dbnA1 ALA 237 H -0.03 0.54 0.27 -0.55 8.40 8.63 2dbnA1 ALA 237 HA 0.25 0.16 0.42 -0.75 4.34 4.41 2dbnA1 ALA 237 HB3 0.04 -0.01 0.04 -0.04 1.41 1.44 2dbnA1 ALA 238 H -0.84 0.09 -0.10 -0.55 8.40 7.01 2dbnA1 ALA 238 HA -3.27 -0.09 0.32 -0.75 4.34 0.54 2dbnA1 ALA 238 HB3 -0.64 0.03 0.01 -0.04 1.41 0.78 2dbnA1 HIS 239 H -2.77 0.07 0.14 -0.55 8.41 5.31 2dbnA1 HIS 239 HA -0.41 -0.05 0.37 -0.75 4.63 3.78 2dbnA1 HIS 239 HB2 -0.33 0.33 0.08 -0.04 3.26 3.30 2dbnA1 HIS 239 HB3 -0.23 -0.04 0.13 -0.04 3.20 3.01 2dbnA1 HIS 239 HD2 -0.19 0.15 -0.32 -0.04 6.97 6.57 2dbnA1 HIS 239 HE1 0.24 0.00 -0.04 -0.04 7.75 7.91 2dbnA1 ARG 240 H -0.49 0.71 -0.37 -0.55 8.46 7.76 2dbnA1 ARG 240 HA -0.38 0.06 0.43 -0.75 4.34 3.70 2dbnA1 ARG 240 HB2 -0.56 0.10 0.10 -0.04 1.90 1.50 2dbnA1 ARG 240 HB3 -0.50 -0.03 0.01 -0.04 1.80 1.23 2dbnA1 ARG 240 HG2 -0.06 -0.06 0.01 -0.04 1.67 1.52 2dbnA1 ARG 240 HG3 -0.13 0.15 -0.01 -0.04 1.67 1.64 2dbnA1 ARG 240 HD2 0.34 -0.02 -0.01 -0.04 3.22 3.50 2dbnA1 ARG 240 HD3 0.33 -0.05 -0.00 -0.04 3.22 3.45 2dbnA1 THR 241 H -0.43 0.09 -0.24 -0.55 8.28 7.16 2dbnA1 THR 241 HA -0.50 0.13 0.41 -0.75 4.39 3.68 2dbnA1 THR 241 HB -0.01 -0.11 0.13 -0.04 4.32 4.29 2dbnA1 THR 241 HG23 -0.16 0.09 -0.05 -0.04 1.22 1.06 2dbnA1 GLU 242 H -0.17 0.36 -0.67 -0.55 8.60 7.58 2dbnA1 GLU 242 HA -0.01 0.12 0.69 -0.75 4.29 4.33 2dbnA1 GLU 242 HB2 -0.01 0.15 0.05 -0.04 2.09 2.24 2dbnA1 GLU 242 HB3 0.03 -0.04 0.11 -0.04 1.99 2.05 2dbnA1 GLU 242 HG2 0.15 0.02 -0.06 -0.04 2.34 2.40 2dbnA1 GLU 242 HG3 0.19 -0.15 -0.11 -0.04 2.34 2.24 2dbnA1 VAL 243 H -0.23 0.33 -0.31 -0.55 8.24 7.48 2dbnA1 VAL 243 HA -0.21 -0.06 0.47 -0.75 4.13 3.57 2dbnA1 VAL 243 HB -0.28 0.19 0.10 -0.04 2.12 2.10 2dbnA1 VAL 243 HG13 -0.21 -0.01 -0.28 -0.04 0.97 0.42 2dbnA1 VAL 243 HG23 -0.94 -0.01 -0.04 -0.04 0.95 -0.08 2dbnA1 GLU 244 H -0.08 0.16 0.10 -0.55 8.60 8.23 2dbnA1 GLU 244 HA -0.02 0.17 0.79 -0.75 4.29 4.47 2dbnA1 GLU 244 HB2 0.02 -0.01 0.16 -0.04 2.09 2.22 2dbnA1 GLU 244 HB3 0.03 0.05 0.01 -0.04 1.99 2.03 2dbnA1 GLU 244 HG2 -0.01 0.09 -0.43 -0.04 2.34 1.95 2dbnA1 GLU 244 HG3 0.02 -0.06 -0.04 -0.04 2.34 2.22 2dbnA1 GLU 245 H -0.02 0.22 0.01 -0.55 8.60 8.27 2dbnA1 GLU 245 HA -0.10 -0.08 0.40 -0.75 4.29 3.76 2dbnA1 GLU 245 HB2 -0.00 0.16 0.11 -0.04 2.09 2.31 2dbnA1 GLU 245 HB3 0.01 0.02 0.04 -0.04 1.99 2.02 2dbnA1 GLU 245 HG2 0.02 -0.10 -0.11 -0.04 2.34 2.11 2dbnA1 GLU 245 HG3 -0.00 0.08 -0.07 -0.04 2.34 2.31 2dbnA1 TYR 246 H -0.08 -0.06 0.16 -0.55 8.29 7.75 2dbnA1 TYR 246 HA 0.04 0.12 0.45 -0.75 4.56 4.41 2dbnA1 TYR 246 HB2 0.04 -0.08 0.04 -0.04 3.06 3.03 2dbnA1 TYR 246 HB3 0.03 0.02 -0.04 -0.04 2.98 2.95 2dbnA1 TYR 246 HD2 0.06 0.02 -0.02 -0.04 7.15 7.17 2dbnA1 TYR 246 HE2 0.09 0.08 -0.34 -0.04 6.85 6.64 2dbnA1 THR 247 H 0.14 0.10 0.14 -0.55 8.28 8.10 2dbnA1 THR 247 HA 0.07 0.22 0.76 -0.75 4.39 4.68 2dbnA1 THR 247 HB 0.05 -0.08 0.20 -0.04 4.32 4.45 2dbnA1 THR 247 HG23 0.03 0.01 -0.14 -0.04 1.22 1.09 2dbnA1 VAL 248 H 0.05 0.32 0.01 -0.55 8.24 8.07 2dbnA1 VAL 248 HA 0.01 0.10 0.93 -0.75 4.13 4.42 2dbnA1 VAL 248 HB 0.04 0.05 0.06 -0.04 2.12 2.23 2dbnA1 VAL 248 HG13 -0.00 0.00 -0.21 -0.04 0.97 0.72 2dbnA1 VAL 248 HG23 0.06 -0.04 -0.22 -0.04 0.95 0.71 2dbnA1 ASP 249 H 0.01 0.08 0.02 -0.55 8.40 7.95 2dbnA1 ASP 249 HA 0.01 0.04 0.17 -0.75 4.63 4.09 2dbnA1 ASP 249 HB2 0.01 0.02 0.06 -0.04 2.71 2.75 2dbnA1 ASP 249 HB3 0.01 -0.03 -0.03 -0.04 2.70 2.61 2dbnA1 LYS 253 HA -0.00 -0.15 0.25 -0.75 4.32 3.66 2dbnA1 LYS 253 HB2 0.00 -0.01 0.83 -0.04 1.87 2.66 2dbnA1 LYS 253 HB3 -0.03 0.05 0.17 -0.04 1.79 1.94 2dbnA1 LYS 253 HG2 0.01 0.00 0.01 -0.04 1.46 1.44 2dbnA1 LYS 253 HG3 -0.02 -0.06 -0.34 -0.04 1.46 0.99 2dbnA1 LYS 253 HD2 0.01 -0.12 -0.08 -0.04 1.69 1.45 2dbnA1 LYS 253 HD3 0.04 0.13 -0.06 -0.04 1.68 1.74 2dbnA1 LYS 253 HE2 0.01 -0.04 -0.26 -0.04 2.99 2.66 2dbnA1 LYS 253 HE3 0.04 0.21 -0.29 -0.04 2.99 2.90 2dbnA1 CYS 254 H -0.03 0.08 0.12 -0.55 8.50 8.12 2dbnA1 CYS 254 HA -0.10 0.18 0.96 -0.75 4.58 4.87 2dbnA1 CYS 254 HB2 -0.07 0.04 0.02 -0.04 2.97 2.91 2dbnA1 CYS 254 HB3 -0.09 -0.05 0.16 -0.04 2.97 2.96 2dbnA1 SER 255 H -0.24 0.17 0.11 -0.55 8.46 7.95 2dbnA1 SER 255 HA -0.09 0.18 0.70 -0.75 4.49 4.53 2dbnA1 SER 255 HB2 -0.63 -0.02 0.03 -0.04 3.95 3.29 2dbnA1 SER 255 HB3 -0.02 0.00 0.12 -0.04 3.93 3.99 2dbnA1 VAL 256 H -0.33 0.07 -0.20 -0.55 8.24 7.24 2dbnA1 VAL 256 HA -0.11 0.24 1.00 -0.75 4.13 4.51 2dbnA1 VAL 256 HB -0.19 0.07 -0.07 -0.04 2.12 1.89 2dbnA1 VAL 256 HG13 -0.17 -0.01 -0.17 -0.04 0.97 0.58 2dbnA1 VAL 256 HG23 -0.76 -0.02 -0.18 -0.04 0.95 -0.05 2dbnA1 PHE 257 H 0.01 0.11 0.06 -0.55 8.34 7.97 2dbnA1 PHE 257 HA -0.18 0.15 0.68 -0.75 4.62 4.52 2dbnA1 PHE 257 HB2 -0.14 0.10 0.03 -0.04 3.15 3.10 2dbnA1 PHE 257 HB3 -0.16 -0.08 0.12 -0.04 3.06 2.91 2dbnA1 PHE 257 HD2 -0.23 0.03 -0.08 -0.04 7.28 6.95 2dbnA1 PHE 257 HE2 -0.50 0.01 -0.13 -0.04 7.38 6.72 2dbnA1 PHE 257 HZ -0.94 0.01 -0.13 -0.04 7.32 6.22 2dbnA1 ARG 258 H -0.46 0.23 0.12 -0.55 8.46 7.80 2dbnA1 ARG 258 HA -0.63 0.23 1.05 -0.75 4.34 4.23 2dbnA1 ARG 258 HB2 -0.33 -0.04 0.01 -0.04 1.90 1.50 2dbnA1 ARG 258 HB3 -0.32 0.12 -0.13 -0.04 1.80 1.43 2dbnA1 ARG 258 HG2 -0.35 0.03 -0.24 -0.04 1.67 1.08 2dbnA1 ARG 258 HG3 -0.41 -0.03 -0.37 -0.04 1.67 0.82 2dbnA1 ARG 258 HD2 -0.23 0.00 -0.06 -0.04 3.22 2.89 2dbnA1 ARG 258 HD3 -0.43 -0.00 -0.10 -0.04 3.22 2.66 2dbnA1 THR 259 H -0.68 0.45 0.28 -0.55 8.28 7.78 2dbnA1 THR 259 HA -0.93 0.08 0.60 -0.75 4.39 3.39 2dbnA1 THR 259 HB -0.31 0.01 -0.05 -0.04 4.32 3.94 2dbnA1 THR 259 HG23 -1.39 0.00 -0.03 -0.04 1.22 -0.24 2dbnA1 PHE 260 H -0.05 0.29 0.19 -0.55 8.34 8.22 2dbnA1 PHE 260 HA -0.07 0.28 0.87 -0.75 4.62 4.95 2dbnA1 PHE 260 HB2 0.13 -0.12 -0.00 -0.04 3.15 3.12 2dbnA1 PHE 260 HB3 0.30 0.12 -0.11 -0.04 3.06 3.33 2dbnA1 PHE 260 HD2 0.24 -0.07 -0.41 -0.04 7.28 7.00 2dbnA1 PHE 260 HE2 0.53 0.12 -0.27 -0.04 7.38 7.72 2dbnA1 PHE 260 HZ 0.54 0.02 -0.17 -0.04 7.32 7.67 2dbnA1 GLN 261 H -0.53 0.69 0.25 -0.55 8.47 8.34 2dbnA1 GLN 261 HA -0.35 0.07 0.75 -0.75 4.36 4.07 2dbnA1 GLN 261 HB2 -2.11 0.08 0.05 -0.04 2.15 0.14 2dbnA1 GLN 261 HB3 -1.00 -0.02 0.02 -0.04 2.02 0.98 2dbnA1 GLN 261 HG2 -0.24 -0.02 -0.02 -0.04 2.40 2.08 2dbnA1 GLN 261 HG3 -0.32 0.02 -0.10 -0.04 2.39 1.95 2dbnA1 GLN 261 HE21 0.38 -0.04 -0.03 -0.04 6.97 7.23 2dbnA1 GLN 261 HE22 0.07 0.09 -0.03 -0.04 7.69 7.78 2dbnA1 GLY 262 H -0.40 0.22 0.10 -0.55 8.43 7.80 2dbnA1 GLY 262 HA2 -0.84 0.11 0.48 -0.51 4.01 3.25 2dbnA1 GLY 262 HA3 -1.22 0.10 0.47 -0.51 4.01 2.86 2dbnA1 TRP 263 H -0.74 0.48 0.37 -0.55 7.97 7.53 2dbnA1 TRP 263 HA -0.21 0.15 0.70 -0.75 4.62 4.51 2dbnA1 TRP 263 HB2 -0.23 -0.08 -0.14 -0.04 3.23 2.74 2dbnA1 TRP 263 HB3 -0.02 0.05 -0.08 -0.04 3.23 3.15 2dbnA1 TRP 263 HD1 0.62 0.04 -0.24 -0.04 7.22 7.59 2dbnA1 TRP 263 HE1 0.27 0.04 -0.13 -0.04 10.20 10.34 2dbnA1 TRP 263 HE3 -0.06 -0.02 -0.82 -0.04 7.59 6.65 2dbnA1 TRP 263 HZ2 0.00 -0.03 -0.06 -0.04 7.44 7.31 2dbnA1 TRP 263 HZ3 -0.03 -0.05 -0.16 -0.04 7.13 6.86 2dbnA1 TRP 263 HH2 -0.06 0.02 -0.11 -0.04 7.19 7.01 2dbnA1 THR 264 H 0.16 0.65 0.35 -0.55 8.28 8.90 2dbnA1 THR 264 HA 0.25 0.17 1.07 -0.75 4.39 5.13 2dbnA1 THR 264 HB 0.10 -0.03 0.11 -0.04 4.32 4.47 2dbnA1 THR 264 HG23 0.31 0.02 -0.17 -0.04 1.22 1.34 2dbnA1 ALA 265 H 0.32 0.75 0.33 -0.55 8.40 9.25 2dbnA1 ALA 265 HA 0.11 0.14 0.68 -0.75 4.34 4.51 2dbnA1 ALA 265 HB3 0.26 0.05 0.09 -0.04 1.41 1.77 2dbnA1 LEU 266 H -0.04 0.82 0.40 -0.55 8.37 9.01 2dbnA1 LEU 266 HA 0.03 0.07 0.71 -0.75 4.35 4.41 2dbnA1 LEU 266 HB2 -0.07 0.04 -0.16 -0.04 1.64 1.41 2dbnA1 LEU 266 HB3 -0.06 -0.06 0.06 -0.04 1.64 1.54 2dbnA1 LEU 266 HG -0.05 0.07 -0.21 -0.04 1.64 1.41 2dbnA1 LEU 266 HD13 -0.10 -0.00 -0.18 -0.04 0.93 0.61 2dbnA1 LEU 266 HD23 0.08 0.00 -0.07 -0.04 0.89 0.87 2dbnA1 SER 267 H 0.01 0.32 0.09 -0.55 8.46 8.33 2dbnA1 SER 267 HA -0.04 0.08 0.66 -0.75 4.49 4.43 2dbnA1 SER 267 HB2 0.05 -0.01 0.12 -0.04 3.95 4.07 2dbnA1 SER 267 HB3 -0.04 0.00 -0.12 -0.04 3.93 3.74 2dbnA1 ASP 268 H 0.03 0.07 0.17 -0.55 8.40 8.13 2dbnA1 ASP 268 HA 0.05 -0.00 0.43 -0.75 4.63 4.36 2dbnA1 ASP 268 HB2 0.06 -0.03 0.13 -0.04 2.71 2.83 2dbnA1 ASP 268 HB3 0.05 0.16 0.12 -0.04 2.70 2.99 2dbnA1 MET 269 H 0.06 0.55 0.24 -0.55 8.47 8.77 2dbnA1 MET 269 HA 0.06 0.30 0.87 -0.75 4.52 4.99 2dbnA1 MET 269 HB2 0.09 -0.08 0.12 -0.04 2.15 2.23 2dbnA1 MET 269 HB3 0.08 0.08 -0.03 -0.04 2.03 2.11 2dbnA1 MET 269 HG2 0.10 -0.03 -0.31 -0.04 2.63 2.34 2dbnA1 MET 269 HG3 0.23 -0.05 -0.10 -0.04 2.56 2.60 2dbnA1 MET 269 HE3 -0.21 0.01 -0.14 -0.04 2.10 1.71 2dbnA1 LEU 270 H 0.04 0.29 0.08 -0.55 8.37 8.23 2dbnA1 LEU 270 HA 0.02 0.11 0.75 -0.75 4.35 4.49 2dbnA1 LEU 270 HB2 0.02 0.10 0.03 -0.04 1.64 1.75 2dbnA1 LEU 270 HB3 0.02 0.04 0.01 -0.04 1.64 1.67 2dbnA1 LEU 270 HG 0.05 0.00 -0.08 -0.04 1.64 1.57 2dbnA1 LEU 270 HD13 0.03 0.02 -0.15 -0.04 0.93 0.79 2dbnA1 LEU 270 HD23 0.03 -0.01 -0.13 -0.04 0.89 0.75 2dbnA1 PRO 271 HA 0.00 0.04 0.34 -0.51 4.44 4.31 2dbnA1 PRO 271 HB2 0.01 0.02 0.07 -0.04 2.28 2.34 2dbnA1 PRO 271 HB3 0.01 0.07 0.07 -0.04 2.02 2.13 2dbnA1 PRO 271 HG2 0.01 0.03 0.11 -0.04 2.03 2.14 2dbnA1 PRO 271 HG3 -0.01 0.03 0.08 -0.04 2.03 2.09 2dbnA1 PRO 271 HD2 0.01 0.09 0.20 -0.04 3.68 3.94 2dbnA1 PRO 271 HD3 0.01 0.14 0.31 -0.04 3.65 4.07 2dbnA1 GLY 272 H 0.03 0.14 0.12 -0.55 8.43 8.18 2dbnA1 GLY 272 HA2 0.07 0.00 0.35 -0.51 4.01 3.92 2dbnA1 GLY 272 HA3 0.04 0.11 0.43 -0.51 4.01 4.07 2dbnA1 GLN 273 H 0.03 0.42 -0.39 -0.55 8.47 7.98 2dbnA1 GLN 273 HA 0.02 0.15 0.67 -0.75 4.36 4.44 2dbnA1 GLN 273 HB2 0.02 0.02 0.09 -0.04 2.15 2.24 2dbnA1 GLN 273 HB3 0.00 -0.04 0.10 -0.04 2.02 2.04 2dbnA1 GLN 273 HG2 0.02 0.18 -0.27 -0.04 2.40 2.29 2dbnA1 GLN 273 HG3 0.01 0.11 0.03 -0.04 2.39 2.50 2dbnA1 GLN 273 HE21 0.01 -0.04 -0.11 -0.04 6.97 6.79 2dbnA1 GLN 273 HE22 0.02 0.46 -0.09 -0.04 7.69 8.03 2dbnA1 GLY 274 H 0.06 0.28 -0.47 -0.55 8.43 7.76 2dbnA1 GLY 274 HA2 0.06 0.20 -0.04 -0.51 4.01 3.72 2dbnA1 GLY 274 HA3 0.04 0.01 0.22 -0.51 4.01 3.77 2dbnA1 LEU 275 H 0.15 -0.00 -0.13 -0.55 8.37 7.85 2dbnA1 LEU 275 HA 0.12 0.25 0.73 -0.75 4.35 4.70 2dbnA1 LEU 275 HB2 0.05 -0.01 -0.09 -0.04 1.64 1.55 2dbnA1 LEU 275 HB3 0.07 -0.00 0.00 -0.04 1.64 1.67 2dbnA1 LEU 275 HG 0.06 -0.20 -0.28 -0.04 1.64 1.17 2dbnA1 LEU 275 HD13 -0.00 0.04 -0.35 -0.04 0.93 0.58 2dbnA1 LEU 275 HD23 0.06 0.07 -0.37 -0.04 0.89 0.61 2dbnA1 LEU 276 H 0.24 0.08 0.11 -0.55 8.37 8.25 2dbnA1 LEU 276 HA 0.23 0.28 0.61 -0.75 4.35 4.72 2dbnA1 LEU 276 HB2 0.44 -0.01 0.07 -0.04 1.64 2.10 2dbnA1 LEU 276 HB3 0.26 -0.10 0.10 -0.04 1.64 1.86 2dbnA1 LEU 276 HG 0.05 0.03 -0.39 -0.04 1.64 1.29 2dbnA1 LEU 276 HD13 -0.19 0.06 -0.02 -0.04 0.93 0.73 2dbnA1 LEU 276 HD23 -0.24 -0.02 -0.15 -0.04 0.89 0.43 2dbnA1 HIS 277 H 0.24 0.66 0.36 -0.55 8.41 9.13 2dbnA1 HIS 277 HA 0.22 0.30 0.74 -0.75 4.63 5.13 2dbnA1 HIS 277 HB2 0.06 -0.08 -0.13 -0.04 3.26 3.07 2dbnA1 HIS 277 HB3 0.08 -0.02 -0.23 -0.04 3.20 2.98 2dbnA1 HIS 277 HD2 0.07 0.08 -0.36 -0.04 6.97 6.72 2dbnA1 HIS 277 HE1 0.05 -0.13 -0.07 -0.04 7.75 7.56 2dbnA1 VAL 278 H 0.21 0.58 0.30 -0.55 8.24 8.78 2dbnA1 VAL 278 HA -0.04 0.28 0.97 -0.75 4.13 4.59 2dbnA1 VAL 278 HB -0.23 0.07 -0.05 -0.04 2.12 1.87 2dbnA1 VAL 278 HG13 -0.25 -0.03 -0.27 -0.04 0.97 0.38 2dbnA1 VAL 278 HG23 -0.62 0.01 -0.22 -0.04 0.95 0.08 2dbnA1 VAL 279 H -0.08 0.56 0.17 -0.55 8.24 8.34 2dbnA1 VAL 279 HA -0.05 0.29 0.55 -0.75 4.13 4.16 2dbnA1 VAL 279 HB -0.07 -0.10 0.22 -0.04 2.12 2.13 2dbnA1 VAL 279 HG13 -0.09 -0.02 -0.06 -0.04 0.97 0.76 2dbnA1 VAL 279 HG23 -0.04 -0.00 -0.21 -0.04 0.95 0.65 2dbnA1 PRO 280 HA -0.19 0.23 0.49 -0.51 4.44 4.46 2dbnA1 PRO 280 HB2 -0.18 -0.01 0.23 -0.04 2.28 2.28 2dbnA1 PRO 280 HB3 -0.43 -0.05 0.02 -0.04 2.02 1.51 2dbnA1 PRO 280 HG2 -0.09 -0.01 0.05 -0.04 2.03 1.94 2dbnA1 PRO 280 HG3 -0.12 -0.02 0.04 -0.04 2.03 1.89 2dbnA1 PRO 280 HD2 -0.07 0.20 0.17 -0.04 3.68 3.94 2dbnA1 PRO 280 HD3 -0.12 0.31 0.10 -0.04 3.65 3.90 2dbnA1 ILE 281 H -0.10 0.63 -0.14 -0.55 8.25 8.09 2dbnA1 ILE 281 HA -0.06 0.30 0.72 -0.75 4.18 4.39 2dbnA1 ILE 281 HB -0.09 -0.08 0.10 -0.04 1.89 1.78 2dbnA1 ILE 281 HG12 -0.05 0.13 -0.15 -0.04 1.49 1.38 2dbnA1 ILE 281 HG13 -0.07 -0.06 -0.76 -0.04 1.21 0.27 2dbnA1 ILE 281 HG23 -0.06 -0.05 -0.01 -0.04 0.93 0.77 2dbnA1 ILE 281 HD13 -0.07 -0.01 -0.10 -0.04 0.88 0.66 2dbnA1 PRO 282 HA -0.25 0.08 0.43 -0.51 4.44 4.19 2dbnA1 PRO 282 HB2 -0.88 -0.02 0.01 -0.04 2.28 1.35 2dbnA1 PRO 282 HB3 -0.54 0.01 0.10 -0.04 2.02 1.55 2dbnA1 PRO 282 HG2 -0.11 -0.05 0.07 -0.04 2.03 1.89 2dbnA1 PRO 282 HG3 0.10 0.23 -0.02 -0.04 2.03 2.30 2dbnA1 PRO 282 HD2 -0.03 0.34 0.11 -0.04 3.68 4.06 2dbnA1 PRO 282 HD3 -0.02 0.13 -0.63 -0.04 3.65 3.09 2dbnA1 GLU 283 H -0.10 0.20 -0.27 -0.55 8.60 7.88 2dbnA1 GLU 283 HA 0.03 0.12 0.53 -0.75 4.29 4.22 2dbnA1 GLU 283 HB2 0.05 -0.02 0.12 -0.04 2.09 2.20 2dbnA1 GLU 283 HB3 -0.02 0.07 0.08 -0.04 1.99 2.07 2dbnA1 GLU 283 HG2 -0.04 -0.00 -0.22 -0.04 2.34 2.04 2dbnA1 GLU 283 HG3 -0.01 0.00 -0.06 -0.04 2.34 2.23 2dbnA1 ALA 284 H -0.09 0.61 -0.44 -0.55 8.40 7.93 2dbnA1 ALA 284 HA -0.07 -0.02 0.35 -0.75 4.34 3.84 2dbnA1 ALA 284 HB3 -0.11 0.02 0.09 -0.04 1.41 1.37 2dbnA1 MET 285 H -0.10 0.33 -0.41 -0.55 8.47 7.75 2dbnA1 MET 285 HA -0.16 0.04 0.37 -0.75 4.52 4.02 2dbnA1 MET 285 HB2 -0.10 0.18 0.12 -0.04 2.15 2.31 2dbnA1 MET 285 HB3 -0.12 0.02 0.04 -0.04 2.03 1.94 2dbnA1 MET 285 HG2 -0.26 0.04 -0.02 -0.04 2.63 2.35 2dbnA1 MET 285 HG3 -0.74 -0.06 -0.20 -0.04 2.56 1.53 2dbnA1 MET 285 HE3 -0.08 0.04 0.03 -0.04 2.10 2.05 2dbnA1 ALA 286 H -0.15 0.51 -0.31 -0.55 8.40 7.90 2dbnA1 ALA 286 HA -0.48 0.04 0.37 -0.75 4.34 3.53 2dbnA1 ALA 286 HB3 -0.20 0.02 0.07 -0.04 1.41 1.25 2dbnA1 TYR 287 H 0.04 0.31 -0.22 -0.55 8.29 7.86 2dbnA1 TYR 287 HA -0.02 0.01 0.41 -0.75 4.56 4.20 2dbnA1 TYR 287 HB2 -0.13 -0.04 0.06 -0.04 3.06 2.91 2dbnA1 TYR 287 HB3 -0.03 0.24 0.15 -0.04 2.98 3.30 2dbnA1 TYR 287 HD2 0.00 0.05 -0.28 -0.04 7.15 6.87 2dbnA1 TYR 287 HE2 0.20 0.04 0.03 -0.04 6.85 7.08 2dbnA1 VAL 288 H 0.10 0.35 -0.17 -0.55 8.24 7.97 2dbnA1 VAL 288 HA 0.37 -0.00 0.36 -0.75 4.13 4.10 2dbnA1 VAL 288 HB -0.12 0.14 0.14 -0.04 2.12 2.23 2dbnA1 VAL 288 HG13 0.05 0.00 -0.15 -0.04 0.97 0.83 2dbnA1 VAL 288 HG23 -0.15 0.02 -0.04 -0.04 0.95 0.74 2dbnA1 LEU 289 H -0.19 0.54 -0.20 -0.55 8.37 7.98 2dbnA1 LEU 289 HA 0.00 0.04 0.35 -0.75 4.35 3.99 2dbnA1 LEU 289 HB2 -0.55 0.05 0.08 -0.04 1.64 1.17 2dbnA1 LEU 289 HB3 -0.59 -0.03 -0.05 -0.04 1.64 0.93 2dbnA1 LEU 289 HG -0.79 0.17 0.01 -0.04 1.64 1.00 2dbnA1 LEU 289 HD13 -1.83 -0.03 -0.08 -0.04 0.93 -1.06 2dbnA1 LEU 289 HD23 -1.36 0.00 -0.11 -0.04 0.89 -0.63 2dbnA1 LEU 290 H 0.07 0.38 -0.24 -0.55 8.37 8.04 2dbnA1 LEU 290 HA 0.19 0.13 0.64 -0.75 4.35 4.56 2dbnA1 LEU 290 HB2 0.25 0.05 0.07 -0.04 1.64 1.96 2dbnA1 LEU 290 HB3 0.18 -0.11 0.01 -0.04 1.64 1.68 2dbnA1 LEU 290 HG -0.09 0.12 -0.03 -0.04 1.64 1.59 2dbnA1 LEU 290 HD13 0.03 -0.02 -0.07 -0.04 0.93 0.83 2dbnA1 LEU 290 HD23 0.09 0.03 -0.15 -0.04 0.89 0.82 2dbnA1 ARG 291 H 0.19 0.45 -0.21 -0.55 8.46 8.33 2dbnA1 ARG 291 HA -0.40 -0.08 0.33 -0.75 4.34 3.44 2dbnA1 ARG 291 HB2 0.20 0.09 0.12 -0.04 1.90 2.27 2dbnA1 ARG 291 HB3 0.18 0.14 0.07 -0.04 1.80 2.15 2dbnA1 ARG 291 HG2 0.04 0.01 -0.03 -0.04 1.67 1.65 2dbnA1 ARG 291 HG3 -0.07 -0.09 -0.20 -0.04 1.67 1.26 2dbnA1 ARG 291 HD2 -0.42 -0.11 0.11 -0.04 3.22 2.76 2dbnA1 ARG 291 HD3 -0.01 -0.01 0.09 -0.04 3.22 3.25 2dbnA1 PRO 292 HA -0.33 -0.01 0.41 -0.51 4.44 4.00 2dbnA1 PRO 292 HB2 -0.33 0.08 -0.08 -0.04 2.28 1.91 2dbnA1 PRO 292 HB3 -0.44 -0.05 0.08 -0.04 2.02 1.57 2dbnA1 PRO 292 HG2 -0.25 0.06 -0.05 -0.04 2.03 1.75 2dbnA1 PRO 292 HG3 -0.22 -0.06 -0.16 -0.04 2.03 1.55 2dbnA1 PRO 292 HD2 0.24 0.32 -0.39 -0.04 3.68 3.81 2dbnA1 PRO 292 HD3 0.20 0.27 -0.04 -0.04 3.65 4.04 2dbnA1 LEU 293 H -0.07 0.49 -0.56 -0.55 8.37 7.69 2dbnA1 LEU 293 HA -0.10 0.16 0.70 -0.75 4.35 4.35 2dbnA1 LEU 293 HB2 -0.00 0.10 0.05 -0.04 1.64 1.75 2dbnA1 LEU 293 HB3 -0.02 -0.11 0.11 -0.04 1.64 1.57 2dbnA1 LEU 293 HG 0.11 0.09 -0.04 -0.04 1.64 1.77 2dbnA1 LEU 293 HD13 0.17 -0.03 -0.05 -0.04 0.93 0.98 2dbnA1 LEU 293 HD23 -0.08 0.01 -0.11 -0.04 0.89 0.67 2dbnA1 LEU 294 H -0.18 0.37 -0.24 -0.55 8.37 7.77 2dbnA1 LEU 294 HA -0.13 0.01 0.47 -0.75 4.35 3.95 2dbnA1 LEU 294 HB2 -0.18 0.09 0.06 -0.04 1.64 1.57 2dbnA1 LEU 294 HB3 -0.18 -0.18 0.13 -0.04 1.64 1.38 2dbnA1 LEU 294 HG -0.50 0.22 0.06 -0.04 1.64 1.39 2dbnA1 LEU 294 HD13 -1.01 -0.01 0.01 -0.04 0.93 -0.13 2dbnA1 LEU 294 HD23 -0.30 -0.03 -0.18 -0.04 0.89 0.34 2dbnA1 ASP 295 H -0.07 0.07 0.13 -0.55 8.40 7.98 2dbnA1 ASP 295 HA -0.04 0.26 0.51 -0.75 4.63 4.61 2dbnA1 ASP 295 HB2 -0.02 0.01 0.17 -0.04 2.71 2.83 2dbnA1 ASP 295 HB3 -0.03 0.00 0.12 -0.04 2.70 2.75 2dbnA1 ASP 296 H -0.01 0.11 -0.43 -0.55 8.40 7.53 2dbnA1 ASP 296 HA 0.03 0.19 0.81 -0.75 4.63 4.91 2dbnA1 ASP 296 HB2 0.04 -0.00 0.14 -0.04 2.71 2.85 2dbnA1 ASP 296 HB3 0.01 -0.05 -0.04 -0.04 2.70 2.58 2dbnA1 VAL 297 H -0.01 0.30 -0.30 -0.55 8.24 7.68 2dbnA1 VAL 297 HA 0.10 0.14 0.92 -0.75 4.13 4.55 2dbnA1 VAL 297 HB -0.14 0.22 0.03 -0.04 2.12 2.19 2dbnA1 VAL 297 HG13 -0.36 0.03 -0.08 -0.04 0.97 0.52 2dbnA1 VAL 297 HG23 -0.18 -0.07 -0.15 -0.04 0.95 0.51 2dbnA1 PRO 298 HA -0.02 0.03 0.44 -0.51 4.44 4.37 2dbnA1 PRO 298 HB2 -0.04 -0.11 0.05 -0.04 2.28 2.15 2dbnA1 PRO 298 HB3 -0.01 -0.00 0.09 -0.04 2.02 2.06 2dbnA1 PRO 298 HG2 0.08 0.01 0.06 -0.04 2.03 2.14 2dbnA1 PRO 298 HG3 0.06 0.07 0.03 -0.04 2.03 2.15 2dbnA1 PRO 298 HD2 -0.00 0.02 0.18 -0.04 3.68 3.84 2dbnA1 PRO 298 HD3 0.19 0.29 0.22 -0.04 3.65 4.31 2dbnA1 GLU 299 H -0.05 0.07 0.17 -0.55 8.60 8.25 2dbnA1 GLU 299 HA -0.09 0.19 0.36 -0.75 4.29 4.00 2dbnA1 GLU 299 HB2 -0.06 -0.12 0.17 -0.04 2.09 2.04 2dbnA1 GLU 299 HB3 -0.07 0.02 -0.04 -0.04 1.99 1.86 2dbnA1 GLU 299 HG2 -0.06 0.09 0.08 -0.04 2.34 2.42 2dbnA1 GLU 299 HG3 -0.04 -0.01 0.11 -0.04 2.34 2.35 2dbnA1 ASP 300 H -0.08 -0.02 -0.14 -0.55 8.40 7.60 2dbnA1 ASP 300 HA -0.13 0.18 0.56 -0.75 4.63 4.48 2dbnA1 ASP 300 HB2 -0.08 -0.02 -0.01 -0.04 2.71 2.57 2dbnA1 ASP 300 HB3 -0.12 -0.04 0.08 -0.04 2.70 2.58 2dbnA1 GLU 301 H -0.12 0.22 -0.36 -0.55 8.60 7.79 2dbnA1 GLU 301 HA -0.14 0.15 0.71 -0.75 4.29 4.25 2dbnA1 GLU 301 HB2 -0.16 0.13 0.05 -0.04 2.09 2.07 2dbnA1 GLU 301 HB3 -0.19 -0.18 0.06 -0.04 1.99 1.64 2dbnA1 GLU 301 HG2 -0.05 0.04 -0.10 -0.04 2.34 2.19 2dbnA1 GLU 301 HG3 -0.05 -0.09 -0.05 -0.04 2.34 2.12 2dbnA1 LEU 302 H -0.25 0.09 0.04 -0.55 8.37 7.71 2dbnA1 LEU 302 HA -0.51 0.30 0.78 -0.75 4.35 4.17 2dbnA1 LEU 302 HB2 -0.34 -0.01 0.06 -0.04 1.64 1.32 2dbnA1 LEU 302 HB3 -0.70 0.01 0.17 -0.04 1.64 1.07 2dbnA1 LEU 302 HG -0.41 0.05 -0.26 -0.04 1.64 0.97 2dbnA1 LEU 302 HD13 -0.76 -0.02 -0.06 -0.04 0.93 0.05 2dbnA1 LEU 302 HD23 -0.95 0.06 0.01 -0.04 0.89 -0.03 2dbnA1 CYS 303 H -0.67 0.16 -0.14 -0.55 8.50 7.31 2dbnA1 CYS 303 HA -1.48 -0.00 0.28 -0.75 4.58 2.63 2dbnA1 CYS 303 HB2 -0.36 0.19 -0.12 -0.04 2.97 2.64 2dbnA1 CYS 303 HB3 -1.10 -0.06 0.11 -0.04 2.97 1.89 2dbnA1 GLY 304 H -0.16 -0.01 -0.20 -0.55 8.43 7.51 2dbnA1 GLY 304 HA2 0.06 -0.05 0.26 -0.51 4.01 3.77 2dbnA1 GLY 304 HA3 0.08 0.20 0.70 -0.51 4.01 4.49 2dbnA1 VAL 305 H -0.10 0.42 -0.37 -0.55 8.24 7.65 2dbnA1 VAL 305 HA 0.05 0.12 0.41 -0.75 4.13 3.95 2dbnA1 VAL 305 HB -0.18 -0.01 0.08 -0.04 2.12 1.97 2dbnA1 VAL 305 HG13 0.07 -0.03 -0.24 -0.04 0.97 0.73 2dbnA1 VAL 305 HG23 0.16 0.04 -0.01 -0.04 0.95 1.10 2dbnA1 ALA 306 H 0.04 0.32 0.17 -0.55 8.40 8.38 2dbnA1 ALA 306 HA -0.00 0.09 0.62 -0.75 4.34 4.30 2dbnA1 ALA 306 HB3 0.01 0.03 -0.07 -0.04 1.41 1.34 2dbnA1 PRO 307 HA 0.04 -0.07 0.53 -0.51 4.44 4.42 2dbnA1 PRO 307 HB2 -0.13 0.06 0.04 -0.04 2.28 2.21 2dbnA1 PRO 307 HB3 -0.08 0.00 0.08 -0.04 2.02 1.99 2dbnA1 PRO 307 HG2 -0.74 0.03 0.07 -0.04 2.03 1.35 2dbnA1 PRO 307 HG3 -0.24 0.01 0.06 -0.04 2.03 1.81 2dbnA1 PRO 307 HD2 -0.22 0.13 0.19 -0.04 3.68 3.73 2dbnA1 PRO 307 HD3 -0.18 0.15 0.16 -0.04 3.65 3.73 2dbnA1 GLY 308 H 0.06 0.05 0.18 -0.55 8.43 8.17 2dbnA1 GLY 308 HA2 0.04 0.03 0.32 -0.51 4.01 3.89 2dbnA1 GLY 308 HA3 0.02 0.11 0.49 -0.51 4.01 4.11 2dbnA1 ARG 309 H 0.04 0.27 -0.09 -0.55 8.46 8.13 2dbnA1 ARG 309 HA 0.02 0.15 0.85 -0.75 4.34 4.61 2dbnA1 ARG 309 HB2 0.03 0.02 -0.03 -0.04 1.90 1.88 2dbnA1 ARG 309 HB3 0.03 0.07 0.04 -0.04 1.80 1.89 2dbnA1 ARG 309 HG2 0.01 0.05 -0.04 -0.04 1.67 1.66 2dbnA1 ARG 309 HG3 0.02 0.01 -0.45 -0.04 1.67 1.20 2dbnA1 ARG 309 HD2 0.02 -0.01 -0.08 -0.04 3.22 3.11 2dbnA1 ARG 309 HD3 0.02 0.01 -0.03 -0.04 3.22 3.18 2dbnA1 VAL 310 H 0.01 0.11 0.10 -0.55 8.24 7.92 2dbnA1 VAL 310 HA 0.08 -0.02 0.44 -0.75 4.13 3.88 2dbnA1 VAL 310 HB 0.16 0.23 0.07 -0.04 2.12 2.53 2dbnA1 VAL 310 HG13 0.02 -0.02 0.01 -0.04 0.97 0.93 2dbnA1 VAL 310 HG23 -0.14 -0.00 -0.15 -0.04 0.95 0.61 2dbnA1 LEU 311 H 0.12 0.28 0.18 -0.55 8.37 8.41 2dbnA1 LEU 311 HA 0.13 0.05 0.49 -0.75 4.35 4.27 2dbnA1 LEU 311 HB2 0.12 -0.03 0.18 -0.04 1.64 1.87 2dbnA1 LEU 311 HB3 0.09 -0.05 0.19 -0.04 1.64 1.83 2dbnA1 LEU 311 HG 0.25 -0.01 -0.01 -0.04 1.64 1.83 2dbnA1 LEU 311 HD13 0.04 0.00 -0.02 -0.04 0.93 0.90 2dbnA1 LEU 311 HD23 0.08 0.03 -0.34 -0.04 0.89 0.62 2dbnA1 PRO 312 HA 0.12 0.26 0.80 -0.51 4.44 5.12 2dbnA1 PRO 312 HB2 0.14 -0.06 -0.07 -0.04 2.28 2.25 2dbnA1 PRO 312 HB3 0.09 0.03 -0.00 -0.04 2.02 2.09 2dbnA1 PRO 312 HG2 0.15 0.08 0.07 -0.04 2.03 2.29 2dbnA1 PRO 312 HG3 0.10 0.07 -0.06 -0.04 2.03 2.10 2dbnA1 PRO 312 HD2 0.11 -0.02 0.06 -0.04 3.68 3.79 2dbnA1 PRO 312 HD3 0.09 0.38 0.18 -0.04 3.65 4.26 2dbnA1 VAL 313 H 0.10 0.73 0.15 -0.55 8.24 8.66 2dbnA1 VAL 313 HA 0.05 0.13 0.78 -0.75 4.13 4.33 2dbnA1 VAL 313 HB -0.01 -0.04 -0.16 -0.04 2.12 1.87 2dbnA1 VAL 313 HG13 -0.08 -0.02 -0.18 -0.04 0.97 0.65 2dbnA1 VAL 313 HG23 -0.18 0.02 -0.27 -0.04 0.95 0.48 2dbnA1 SER 314 H 0.76 0.17 0.10 -0.55 8.46 8.94 2dbnA1 SER 314 HA 0.14 0.26 0.87 -0.75 4.49 5.01 2dbnA1 SER 314 HB2 0.11 -0.11 0.09 -0.04 3.95 3.99 2dbnA1 SER 314 HB3 0.20 0.18 -0.22 -0.04 3.93 4.05 2dbnA1 GLU 315 H 0.05 0.22 0.11 -0.55 8.60 8.44 2dbnA1 GLU 315 HA 0.06 0.11 0.30 -0.75 4.29 4.00 2dbnA1 GLU 315 HB2 0.02 0.06 0.06 -0.04 2.09 2.19 2dbnA1 GLU 315 HB3 -0.01 -0.02 0.07 -0.04 1.99 1.99 2dbnA1 GLU 315 HG2 -0.03 0.03 -0.22 -0.04 2.34 2.07 2dbnA1 GLU 315 HG3 0.01 -0.01 0.04 -0.04 2.34 2.34 2dbnA1 GLN 316 H -0.05 0.03 -0.13 -0.55 8.47 7.77 2dbnA1 GLN 316 HA -0.26 0.09 0.32 -0.75 4.36 3.75 2dbnA1 GLN 316 HB2 -0.23 -0.01 0.06 -0.04 2.15 1.94 2dbnA1 GLN 316 HB3 -0.29 -0.05 0.01 -0.04 2.02 1.65 2dbnA1 GLN 316 HG2 -1.73 0.06 -0.29 -0.04 2.40 0.40 2dbnA1 GLN 316 HG3 -0.63 0.01 -0.01 -0.04 2.39 1.72 2dbnA1 GLN 316 HE21 -0.06 -0.01 -0.04 -0.04 6.97 6.81 2dbnA1 GLN 316 HE22 -0.65 0.03 -0.05 -0.04 7.69 6.98 2dbnA1 TRP 317 H 0.02 -0.06 -0.37 -0.55 7.97 7.02 2dbnA1 TRP 317 HA -0.15 0.25 0.90 -0.75 4.62 4.87 2dbnA1 TRP 317 HB2 -0.55 -0.02 0.02 -0.04 3.23 2.64 2dbnA1 TRP 317 HB3 -0.55 0.06 -0.00 -0.04 3.23 2.69 2dbnA1 TRP 317 HD1 -0.01 0.05 -0.14 -0.04 7.22 7.08 2dbnA1 TRP 317 HE1 -0.02 -0.02 -0.15 -0.04 10.20 9.97 2dbnA1 TRP 317 HE3 -0.14 0.03 -0.00 -0.04 7.59 7.44 2dbnA1 TRP 317 HZ2 -0.05 -0.05 -0.02 -0.04 7.44 7.29 2dbnA1 TRP 317 HZ3 -0.10 0.02 -0.12 -0.04 7.13 6.89 2dbnA1 TRP 317 HH2 -0.07 0.13 0.07 -0.04 7.19 7.29 2dbnA1 HIS 318 H 0.14 0.49 -0.08 -0.55 8.41 8.41 2dbnA1 HIS 318 HA 0.48 0.21 0.89 -0.75 4.63 5.46 2dbnA1 HIS 318 HB2 0.11 -0.03 0.16 -0.04 3.26 3.46 2dbnA1 HIS 318 HB3 0.07 -0.05 0.09 -0.04 3.20 3.27 2dbnA1 HIS 318 HD2 0.52 0.05 -0.15 -0.04 6.97 7.35 2dbnA1 HIS 318 HE1 0.20 0.31 0.10 -0.04 7.75 8.31 2dbnA1 PRO 319 HA 0.06 -0.01 0.43 -0.51 4.44 4.41 2dbnA1 PRO 319 HB2 0.05 0.00 -0.02 -0.04 2.28 2.28 2dbnA1 PRO 319 HB3 0.03 0.14 0.11 -0.04 2.02 2.26 2dbnA1 PRO 319 HG2 0.17 -0.10 0.04 -0.04 2.03 2.10 2dbnA1 PRO 319 HG3 0.08 0.08 0.00 -0.04 2.03 2.16 2dbnA1 PRO 319 HD2 0.27 0.22 -0.21 -0.04 3.68 3.93 2dbnA1 PRO 319 HD3 0.08 0.34 -0.30 -0.04 3.65 3.73 2dbnA1 LEU 320 H 0.12 0.16 -0.20 -0.55 8.37 7.90 2dbnA1 LEU 320 HA -0.00 0.09 0.34 -0.75 4.35 4.02 2dbnA1 LEU 320 HB2 0.10 0.01 0.05 -0.04 1.64 1.76 2dbnA1 LEU 320 HB3 -0.20 -0.01 0.00 -0.04 1.64 1.40 2dbnA1 LEU 320 HG -0.13 0.02 -0.24 -0.04 1.64 1.25 2dbnA1 LEU 320 HD13 -0.00 -0.00 0.01 -0.04 0.93 0.89 2dbnA1 LEU 320 HD23 0.04 0.01 -0.00 -0.04 0.89 0.90 2dbnA1 LEU 321 H -0.17 0.17 -0.36 -0.55 8.37 7.47 2dbnA1 LEU 321 HA -0.15 0.12 0.50 -0.75 4.35 4.06 2dbnA1 LEU 321 HB2 -0.09 0.07 0.03 -0.04 1.64 1.61 2dbnA1 LEU 321 HB3 -0.15 0.01 -0.03 -0.04 1.64 1.43 2dbnA1 LEU 321 HG -0.80 -0.07 -0.02 -0.04 1.64 0.70 2dbnA1 LEU 321 HD13 -0.21 0.01 -0.05 -0.04 0.93 0.64 2dbnA1 LEU 321 HD23 -0.46 -0.01 -0.12 -0.04 0.89 0.27 2dbnA1 ILE 322 H 0.01 0.48 -0.08 -0.55 8.25 8.12 2dbnA1 ILE 322 HA 0.01 0.03 0.27 -0.75 4.18 3.73 2dbnA1 ILE 322 HB 0.03 0.07 -0.00 -0.04 1.89 1.96 2dbnA1 ILE 322 HG12 0.09 0.17 -0.26 -0.04 1.49 1.44 2dbnA1 ILE 322 HG13 0.08 -0.21 -0.55 -0.04 1.21 0.49 2dbnA1 ILE 322 HG23 0.02 -0.01 -0.16 -0.04 0.93 0.74 2dbnA1 ILE 322 HD13 0.04 0.03 -0.25 -0.04 0.88 0.67 2dbnA1 GLU 323 H -0.00 0.35 -0.41 -0.55 8.60 7.99 2dbnA1 GLU 323 HA 0.01 0.01 0.33 -0.75 4.29 3.89 2dbnA1 GLU 323 HB2 -0.01 0.14 0.00 -0.04 2.09 2.19 2dbnA1 GLU 323 HB3 0.01 -0.04 0.03 -0.04 1.99 1.95 2dbnA1 GLU 323 HG2 0.01 -0.07 0.01 -0.04 2.34 2.25 2dbnA1 GLU 323 HG3 0.01 0.32 0.07 -0.04 2.34 2.70 2dbnA1 ALA 324 H -0.02 0.38 -0.57 -0.55 8.40 7.64 2dbnA1 ALA 324 HA 0.00 0.15 0.69 -0.75 4.34 4.43 2dbnA1 ALA 324 HB3 -0.04 -0.01 0.06 -0.04 1.41 1.39 2dbnA1 LEU 325 H 0.02 0.38 -0.30 -0.55 8.37 7.92 2dbnA1 LEU 325 HA 0.05 0.06 0.20 -0.75 4.35 3.91 2dbnA1 LEU 325 HB2 0.06 0.11 0.05 -0.04 1.64 1.81 2dbnA1 LEU 325 HB3 0.13 -0.09 -0.18 -0.04 1.64 1.46 2dbnA1 LEU 325 HG 0.01 0.02 -0.08 -0.04 1.64 1.55 2dbnA1 LEU 325 HD13 -0.01 -0.02 -0.09 -0.04 0.93 0.76 2dbnA1 LEU 325 HD23 0.04 -0.02 -0.39 -0.04 0.89 0.48 2dbnA1 THR 326 H 0.13 0.50 0.34 -0.55 8.28 8.71 2dbnA1 THR 326 HA 0.14 0.09 0.95 -0.75 4.39 4.82 2dbnA1 THR 326 HB 0.08 -0.01 0.17 -0.04 4.32 4.52 2dbnA1 THR 326 HG23 0.22 0.02 -0.06 -0.04 1.22 1.36 2dbnA1 SER 327 H -0.07 0.11 0.12 -0.55 8.46 8.07 2dbnA1 SER 327 HA -0.69 0.18 0.57 -0.75 4.49 3.79 2dbnA1 SER 327 HB2 -0.83 -0.06 0.05 -0.04 3.95 3.08 2dbnA1 SER 327 HB3 -0.18 -0.04 0.08 -0.04 3.93 3.75 2dbnA1 ILE 328 H -0.26 0.39 0.22 -0.55 8.25 8.05 2dbnA1 ILE 328 HA -1.49 0.04 0.45 -0.75 4.18 2.43 2dbnA1 ILE 328 HB -0.62 0.05 0.03 -0.04 1.89 1.31 2dbnA1 ILE 328 HG12 -0.12 0.10 0.10 -0.04 1.49 1.52 2dbnA1 ILE 328 HG13 -0.16 -0.02 -0.17 -0.04 1.21 0.82 2dbnA1 ILE 328 HG23 -1.11 0.01 -0.03 -0.04 0.93 -0.25 2dbnA1 ILE 328 HD13 0.11 -0.02 -0.08 -0.04 0.88 0.85 2dbnA1 PRO 329 HA -0.09 0.10 0.54 -0.51 4.44 4.48 2dbnA1 PRO 329 HB2 -0.05 -0.00 0.12 -0.04 2.28 2.31 2dbnA1 PRO 329 HB3 -0.05 0.02 0.10 -0.04 2.02 2.05 2dbnA1 PRO 329 HG2 -0.14 0.08 -0.12 -0.04 2.03 1.80 2dbnA1 PRO 329 HG3 -0.08 0.01 0.02 -0.04 2.03 1.94 2dbnA1 PRO 329 HD2 -0.67 0.04 0.15 -0.04 3.68 3.14 2dbnA1 PRO 329 HD3 -0.47 0.13 0.15 -0.04 3.65 3.42 2dbnA1 LYS 330 H -0.03 0.06 0.14 -0.55 8.42 8.03 2dbnA1 LYS 330 HA -0.01 0.20 0.48 -0.75 4.32 4.24 2dbnA1 LYS 330 HB2 -0.00 -0.01 0.19 -0.04 1.87 2.01 2dbnA1 LYS 330 HB3 -0.00 -0.06 0.12 -0.04 1.79 1.81 2dbnA1 LYS 330 HG2 0.02 -0.03 -0.20 -0.04 1.46 1.21 2dbnA1 LYS 330 HG3 0.02 0.12 0.12 -0.04 1.46 1.67 2dbnA1 LYS 330 HD2 0.01 0.01 0.04 -0.04 1.69 1.71 2dbnA1 LYS 330 HD3 0.01 -0.04 -0.02 -0.04 1.68 1.58 2dbnA1 LYS 330 HE2 0.02 -0.04 -0.07 -0.04 2.99 2.86 2dbnA1 LYS 330 HE3 0.02 0.01 -0.04 -0.04 2.99 2.95 2dbnA1 LEU 331 H 0.02 0.54 0.38 -0.55 8.37 8.77 2dbnA1 LEU 331 HA 0.02 0.16 0.97 -0.75 4.35 4.75 2dbnA1 LEU 331 HB2 0.10 -0.05 0.06 -0.04 1.64 1.71 2dbnA1 LEU 331 HB3 0.09 -0.02 0.04 -0.04 1.64 1.71 2dbnA1 LEU 331 HG -0.03 0.26 -0.18 -0.04 1.64 1.66 2dbnA1 LEU 331 HD13 0.12 -0.02 -0.12 -0.04 0.93 0.88 2dbnA1 LEU 331 HD23 -0.09 0.02 -0.14 -0.04 0.89 0.64 2dbnA1 GLU 332 H 0.05 0.16 0.20 -0.55 8.60 8.46 2dbnA1 GLU 332 HA 0.04 0.11 0.89 -0.75 4.29 4.57 2dbnA1 GLU 332 HB2 0.04 -0.05 0.09 -0.04 2.09 2.13 2dbnA1 GLU 332 HB3 0.03 0.05 0.07 -0.04 1.99 2.10 2dbnA1 GLU 332 HG2 0.02 -0.01 0.01 -0.04 2.34 2.33 2dbnA1 GLU 332 HG3 0.02 0.04 -0.01 -0.04 2.34 2.36 2dbnA1 ALA 333 H 0.03 0.05 -0.05 -0.55 8.40 7.89 2dbnA1 ALA 333 HA 0.07 0.14 0.04 -0.75 4.34 3.84 2dbnA1 ALA 333 HB3 -0.00 -0.03 -0.22 -0.04 1.41 1.13 2dbnA1 GLY 334 H 0.14 0.72 0.29 -0.55 8.43 9.03 2dbnA1 GLY 334 HA2 0.22 -0.04 0.34 -0.51 4.01 4.02 2dbnA1 GLY 334 HA3 0.11 0.25 0.74 -0.51 4.01 4.60 2dbnA1 ASP 335 H 0.13 0.53 0.01 -0.55 8.40 8.53 2dbnA1 ASP 335 HA 0.15 -0.03 0.84 -0.75 4.63 4.83 2dbnA1 ASP 335 HB2 0.11 0.04 0.15 -0.04 2.71 2.97 2dbnA1 ASP 335 HB3 0.07 0.11 0.11 -0.04 2.70 2.96 2dbnA1 SER 336 H 0.19 0.49 0.43 -0.55 8.46 9.03 2dbnA1 SER 336 HA 0.07 0.20 1.08 -0.75 4.49 5.08 2dbnA1 SER 336 HB2 0.09 0.15 0.04 -0.04 3.95 4.19 2dbnA1 SER 336 HB3 0.45 -0.04 -0.05 -0.04 3.93 4.25 2dbnA1 VAL 337 H -0.65 0.58 0.40 -0.55 8.24 8.02 2dbnA1 VAL 337 HA 0.03 0.28 1.18 -0.75 4.13 4.87 2dbnA1 VAL 337 HB -0.34 0.08 0.06 -0.04 2.12 1.88 2dbnA1 VAL 337 HG13 -0.52 -0.03 -0.15 -0.04 0.97 0.24 2dbnA1 VAL 337 HG23 -1.64 -0.00 -0.02 -0.04 0.95 -0.75 2dbnA1 TRP 338 H 0.60 0.59 0.40 -0.55 7.97 9.03 2dbnA1 TRP 338 HA 0.10 0.29 1.09 -0.75 4.62 5.34 2dbnA1 TRP 338 HB2 0.07 -0.07 -0.03 -0.04 3.23 3.16 2dbnA1 TRP 338 HB3 -0.03 0.04 -0.04 -0.04 3.23 3.17 2dbnA1 TRP 338 HD1 0.04 0.08 -0.33 -0.04 7.22 6.97 2dbnA1 TRP 338 HE1 0.05 -0.10 -0.22 -0.04 10.20 9.88 2dbnA1 TRP 338 HE3 -0.07 0.04 -0.26 -0.04 7.59 7.27 2dbnA1 TRP 338 HZ2 0.27 -0.08 -0.16 -0.04 7.44 7.43 2dbnA1 TRP 338 HZ3 -0.02 -0.08 -0.40 -0.04 7.13 6.59 2dbnA1 TRP 338 HH2 0.09 0.04 -0.23 -0.04 7.19 7.05 2dbnA1 TRP 339 H 0.14 0.58 0.30 -0.55 7.97 8.44 2dbnA1 TRP 339 HA 0.35 0.21 0.89 -0.75 4.62 5.30 2dbnA1 TRP 339 HB2 0.01 0.10 0.12 -0.04 3.23 3.43 2dbnA1 TRP 339 HB3 0.06 -0.02 -0.12 -0.04 3.23 3.12 2dbnA1 TRP 339 HD1 -0.07 0.22 -0.12 -0.04 7.22 7.21 2dbnA1 TRP 339 HE1 -0.93 0.02 -0.09 -0.04 10.20 9.15 2dbnA1 TRP 339 HE3 0.10 -0.10 -0.47 -0.04 7.59 7.09 2dbnA1 TRP 339 HZ2 -0.14 0.01 -0.14 -0.04 7.44 7.13 2dbnA1 TRP 339 HZ3 -0.56 -0.04 -0.24 -0.04 7.13 6.25 2dbnA1 TRP 339 HH2 0.36 -0.02 -0.21 -0.04 7.19 7.28 2dbnA1 HIS 340 H 0.34 0.72 0.33 -0.55 8.41 9.25 2dbnA1 HIS 340 HA -0.62 0.20 0.61 -0.75 4.63 4.06 2dbnA1 HIS 340 HB2 -0.44 0.03 0.20 -0.04 3.26 3.02 2dbnA1 HIS 340 HB3 -0.21 -0.02 0.24 -0.04 3.20 3.18 2dbnA1 HIS 340 HD2 -2.88 -0.00 -0.01 -0.04 6.97 4.04 2dbnA1 HIS 340 HE1 -0.14 0.04 0.06 -0.04 7.75 7.67 2dbnA1 CYS 341 H -0.54 0.51 0.29 -0.55 8.50 8.21 2dbnA1 CYS 341 HA -0.08 0.01 0.31 -0.75 4.58 4.07 2dbnA1 CYS 341 HB2 -0.04 -0.08 0.08 -0.04 2.97 2.89 2dbnA1 CYS 341 HB3 -0.25 0.17 -0.00 -0.04 2.97 2.85 2dbnA1 ASP 342 H 0.64 0.02 -0.37 -0.55 8.40 8.15 2dbnA1 ASP 342 HA 0.14 0.23 0.80 -0.75 4.63 5.04 2dbnA1 ASP 342 HB2 0.13 0.00 0.08 -0.04 2.71 2.88 2dbnA1 ASP 342 HB3 0.05 -0.07 0.14 -0.04 2.70 2.79 2dbnA1 VAL 343 H 0.25 0.49 -0.20 -0.55 8.24 8.23 2dbnA1 VAL 343 HA 0.03 -0.00 0.54 -0.75 4.13 3.94 2dbnA1 VAL 343 HB 0.38 0.15 0.10 -0.04 2.12 2.71 2dbnA1 VAL 343 HG13 -0.03 0.03 -0.18 -0.04 0.97 0.74 2dbnA1 VAL 343 HG23 0.01 0.00 0.08 -0.04 0.95 1.00 2dbnA1 ILE 344 H -0.01 0.09 0.22 -0.55 8.25 8.00 2dbnA1 ILE 344 HA -0.02 0.27 0.48 -0.75 4.18 4.16 2dbnA1 ILE 344 HB -0.06 -0.09 0.11 -0.04 1.89 1.81 2dbnA1 ILE 344 HG12 -0.07 0.04 -0.13 -0.04 1.49 1.28 2dbnA1 ILE 344 HG13 -0.05 0.07 0.05 -0.04 1.21 1.24 2dbnA1 ILE 344 HG23 -0.07 -0.01 -0.20 -0.04 0.93 0.60 2dbnA1 ILE 344 HD13 -0.11 -0.02 -0.09 -0.04 0.88 0.62 2dbnA1 HIS 345 H -0.39 0.68 0.45 -0.55 8.41 8.60 2dbnA1 HIS 345 HA -0.16 0.18 0.94 -0.75 4.63 4.83 2dbnA1 HIS 345 HB2 -0.42 0.02 0.11 -0.04 3.26 2.94 2dbnA1 HIS 345 HB3 -0.65 -0.00 -0.14 -0.04 3.20 2.37 2dbnA1 HIS 345 HD2 0.06 -0.04 -0.20 -0.04 6.97 6.75 2dbnA1 HIS 345 HE1 0.16 -0.14 -0.06 -0.04 7.75 7.66 2dbnA1 SER 346 H 0.06 0.62 0.34 -0.55 8.46 8.94 2dbnA1 SER 346 HA 0.07 0.25 0.49 -0.75 4.49 4.54 2dbnA1 SER 346 HB2 0.01 0.23 -0.01 -0.04 3.95 4.15 2dbnA1 SER 346 HB3 0.00 -0.09 -0.32 -0.04 3.93 3.48 2dbnA1 VAL 347 H 0.07 0.61 0.16 -0.55 8.24 8.53 2dbnA1 VAL 347 HA 0.16 0.20 0.60 -0.75 4.13 4.34 2dbnA1 VAL 347 HB 0.09 -0.20 0.06 -0.04 2.12 2.04 2dbnA1 VAL 347 HG13 0.09 0.04 -0.28 -0.04 0.97 0.78 2dbnA1 VAL 347 HG23 0.19 -0.01 -0.28 -0.04 0.95 0.81 2dbnA1 ALA 348 H 0.09 0.46 -0.04 -0.55 8.40 8.36 2dbnA1 ALA 348 HA -0.08 0.09 0.41 -0.75 4.34 4.00 2dbnA1 ALA 348 HB3 -0.07 -0.04 0.04 -0.04 1.41 1.30 2dbnA1 PRO 349 HA 0.01 0.12 0.27 -0.51 4.44 4.33 2dbnA1 PRO 349 HB2 0.00 -0.01 0.02 -0.04 2.28 2.25 2dbnA1 PRO 349 HB3 0.00 0.24 0.01 -0.04 2.02 2.23 2dbnA1 PRO 349 HG2 -0.00 -0.02 0.00 -0.04 2.03 1.96 2dbnA1 PRO 349 HG3 -0.01 0.00 0.04 -0.04 2.03 2.03 2dbnA1 PRO 349 HD2 -0.03 0.01 0.19 -0.04 3.68 3.80 2dbnA1 PRO 349 HD3 -0.02 0.18 0.14 -0.04 3.65 3.91 2dbnA1 VAL 350 H 0.00 0.61 0.33 -0.55 8.24 8.63 2dbnA1 VAL 350 HA 0.01 0.12 0.61 -0.75 4.13 4.11 2dbnA1 VAL 350 HB 0.02 0.03 -0.40 -0.04 2.12 1.73 2dbnA1 VAL 350 HG13 -0.01 0.03 -0.21 -0.04 0.97 0.74 2dbnA1 VAL 350 HG23 -0.00 0.02 -0.16 -0.04 0.95 0.76 2dbnA1 GLU 351 H -0.01 0.28 0.07 -0.55 8.60 8.40 2dbnA1 GLU 351 HA -0.01 0.09 0.90 -0.75 4.29 4.52 2dbnA1 GLU 351 HB2 -0.01 0.01 -0.09 -0.04 2.09 1.96 2dbnA1 GLU 351 HB3 -0.01 -0.00 0.09 -0.04 1.99 2.03 2dbnA1 GLU 351 HG2 -0.01 0.05 -0.22 -0.04 2.34 2.11 2dbnA1 GLU 351 HG3 -0.01 0.00 0.02 -0.04 2.34 2.31 2dbnA1 ASN 352 H -0.03 0.23 -0.07 -0.55 8.53 8.12 2dbnA1 ASN 352 HA -0.05 0.13 0.20 -0.75 4.76 4.29 2dbnA1 ASN 352 HB2 -0.02 -0.06 -0.10 -0.04 2.88 2.65 2dbnA1 ASN 352 HB3 -0.02 0.14 0.11 -0.04 2.79 2.97 2dbnA1 ASN 352 HD21 -0.03 -0.05 0.01 -0.04 7.03 6.93 2dbnA1 ASN 352 HD22 -0.02 -0.00 0.03 -0.04 7.74 7.71 2dbnA1 GLN 353 H -0.05 0.70 -0.21 -0.55 8.47 8.36 2dbnA1 GLN 353 HA -0.03 -0.01 0.22 -0.75 4.36 3.78 2dbnA1 GLN 353 HB2 -0.05 0.07 -0.09 -0.04 2.15 2.05 2dbnA1 GLN 353 HB3 -0.10 -0.16 0.01 -0.04 2.02 1.73 2dbnA1 GLN 353 HG2 -0.07 0.13 -0.53 -0.04 2.40 1.88 2dbnA1 GLN 353 HG3 -0.03 0.04 -0.12 -0.04 2.39 2.24 2dbnA1 GLN 353 HE21 -0.09 -0.00 -0.26 -0.04 6.97 6.58 2dbnA1 GLN 353 HE22 -0.15 0.37 -0.40 -0.04 7.69 7.47 2dbnA1 GLN 354 H -0.03 0.13 0.15 -0.55 8.47 8.18 2dbnA1 GLN 354 HA -0.05 0.07 0.86 -0.75 4.36 4.48 2dbnA1 GLN 354 HB2 -0.01 0.01 0.11 -0.04 2.15 2.23 2dbnA1 GLN 354 HB3 -0.01 -0.07 0.05 -0.04 2.02 1.95 2dbnA1 GLN 354 HG2 -0.02 0.13 0.01 -0.04 2.40 2.48 2dbnA1 GLN 354 HG3 -0.01 -0.04 0.02 -0.04 2.39 2.33 2dbnA1 GLN 354 HE21 -0.02 -0.07 0.00 -0.04 6.97 6.84 2dbnA1 GLN 354 HE22 -0.02 0.08 0.00 -0.04 7.69 7.71 2dbnA1 GLY 355 H -0.05 0.05 0.16 -0.55 8.43 8.04 2dbnA1 GLY 355 HA2 0.08 -0.06 0.36 -0.51 4.01 3.88 2dbnA1 GLY 355 HA3 0.06 0.09 0.48 -0.51 4.01 4.13 2dbnA1 TRP 356 H 0.33 0.03 0.19 -0.55 7.97 7.98 2dbnA1 TRP 356 HA -0.02 0.37 0.84 -0.75 4.62 5.06 2dbnA1 TRP 356 HB2 -0.02 -0.09 0.11 -0.04 3.23 3.19 2dbnA1 TRP 356 HB3 -0.03 -0.07 0.04 -0.04 3.23 3.13 2dbnA1 TRP 356 HD1 -0.01 -0.09 0.01 -0.04 7.22 7.09 2dbnA1 TRP 356 HE1 -0.01 -0.01 -0.00 -0.04 10.20 10.14 2dbnA1 TRP 356 HE3 -0.02 -0.04 -0.23 -0.04 7.59 7.25 2dbnA1 TRP 356 HZ2 -0.00 -0.01 -0.01 -0.04 7.44 7.38 2dbnA1 TRP 356 HZ3 0.00 0.02 -0.15 -0.04 7.13 6.97 2dbnA1 TRP 356 HH2 0.00 0.02 -0.03 -0.04 7.19 7.13 2dbnA1 GLY 357 H 0.19 0.41 0.11 -0.55 8.43 8.59 2dbnA1 GLY 357 HA2 0.01 0.16 0.71 -0.51 4.01 4.38 2dbnA1 GLY 357 HA3 -0.01 0.11 0.31 -0.51 4.01 3.92 2dbnA1 ASN 358 H 0.03 0.15 -0.06 -0.55 8.53 8.10 2dbnA1 ASN 358 HA -0.07 0.42 1.08 -0.75 4.76 5.44 2dbnA1 ASN 358 HB2 -0.04 -0.13 -0.04 -0.04 2.88 2.64 2dbnA1 ASN 358 HB3 -0.05 0.09 0.03 -0.04 2.79 2.82 2dbnA1 ASN 358 HD21 -0.15 0.02 -0.08 -0.04 7.03 6.78 2dbnA1 ASN 358 HD22 -0.20 0.03 -0.08 -0.04 7.74 7.45 2dbnA1 VAL 359 H -0.29 0.58 0.38 -0.55 8.24 8.36 2dbnA1 VAL 359 HA -0.28 0.16 1.06 -0.75 4.13 4.32 2dbnA1 VAL 359 HB -0.95 -0.01 -0.11 -0.04 2.12 1.00 2dbnA1 VAL 359 HG13 -1.37 -0.01 -0.38 -0.04 0.97 -0.83 2dbnA1 VAL 359 HG23 -1.00 0.01 -0.12 -0.04 0.95 -0.20 2dbnA1 MET 360 H -0.14 0.57 0.28 -0.55 8.47 8.63 2dbnA1 MET 360 HA -0.24 0.16 0.92 -0.75 4.52 4.59 2dbnA1 MET 360 HB2 -0.14 -0.05 -0.05 -0.04 2.15 1.88 2dbnA1 MET 360 HB3 -0.08 -0.06 0.17 -0.04 2.03 2.01 2dbnA1 MET 360 HG2 -0.16 0.13 -0.19 -0.04 2.63 2.38 2dbnA1 MET 360 HG3 -0.20 0.01 -0.03 -0.04 2.56 2.29 2dbnA1 MET 360 HE3 -0.26 -0.04 -0.18 -0.04 2.10 1.58 2dbnA1 TYR 361 H -0.15 0.34 0.17 -0.55 8.29 8.10 2dbnA1 TYR 361 HA 0.16 0.10 0.75 -0.75 4.56 4.82 2dbnA1 TYR 361 HB2 0.07 0.01 0.20 -0.04 3.06 3.29 2dbnA1 TYR 361 HB3 0.14 0.04 0.05 -0.04 2.98 3.17 2dbnA1 TYR 361 HD2 0.19 0.20 0.01 -0.04 7.15 7.50 2dbnA1 TYR 361 HE2 0.11 -0.02 -0.14 -0.04 6.85 6.76 2dbnA1 ILE 362 H 0.06 0.47 0.18 -0.55 8.25 8.40 2dbnA1 ILE 362 HA 0.12 0.20 0.69 -0.75 4.18 4.44 2dbnA1 ILE 362 HB 0.08 -0.10 0.00 -0.04 1.89 1.83 2dbnA1 ILE 362 HG12 -0.01 0.11 -0.11 -0.04 1.49 1.44 2dbnA1 ILE 362 HG13 -0.01 -0.08 -0.80 -0.04 1.21 0.28 2dbnA1 ILE 362 HG23 0.16 0.03 -0.11 -0.04 0.93 0.97 2dbnA1 ILE 362 HD13 -0.06 -0.03 -0.18 -0.04 0.88 0.57 2dbnA1 PRO 363 HA 0.13 0.11 0.61 -0.51 4.44 4.78 2dbnA1 PRO 363 HB2 -0.08 0.14 0.09 -0.04 2.28 2.39 2dbnA1 PRO 363 HB3 -0.06 -0.09 0.11 -0.04 2.02 1.93 2dbnA1 PRO 363 HG2 0.03 0.02 -0.20 -0.04 2.03 1.84 2dbnA1 PRO 363 HG3 -0.02 0.02 -0.05 -0.04 2.03 1.93 2dbnA1 PRO 363 HD2 0.20 0.13 0.16 -0.04 3.68 4.13 2dbnA1 PRO 363 HD3 0.22 0.13 -0.02 -0.04 3.65 3.94 2dbnA1 ALA 364 H 0.14 0.63 0.22 -0.55 8.40 8.84 2dbnA1 ALA 364 HA 0.04 0.15 0.77 -0.75 4.34 4.54 2dbnA1 ALA 364 HB3 0.02 -0.02 0.07 -0.04 1.41 1.44 2dbnA1 ALA 365 H -0.10 0.24 -0.04 -0.55 8.40 7.95 2dbnA1 ALA 365 HA -0.43 0.19 0.95 -0.75 4.34 4.29 2dbnA1 ALA 365 HB3 -0.17 0.01 -0.02 -0.04 1.41 1.18 2dbnA1 PRO 366 HA -0.19 0.24 0.56 -0.51 4.44 4.54 2dbnA1 PRO 366 HB2 -0.44 -0.01 -0.21 -0.04 2.28 1.57 2dbnA1 PRO 366 HB3 -0.60 0.02 -0.03 -0.04 2.02 1.37 2dbnA1 PRO 366 HG2 -0.59 -0.00 -0.05 -0.04 2.03 1.34 2dbnA1 PRO 366 HG3 -2.04 0.03 -0.07 -0.04 2.03 -0.09 2dbnA1 PRO 366 HD2 -0.74 0.19 0.13 -0.04 3.68 3.21 2dbnA1 PRO 366 HD3 -0.63 0.07 -0.05 -0.04 3.65 2.99 2dbnA1 MET 367 H -0.05 0.66 0.41 -0.55 8.47 8.94 2dbnA1 MET 367 HA -0.01 0.01 0.47 -0.75 4.52 4.24 2dbnA1 MET 367 HB2 -0.02 0.11 0.06 -0.04 2.15 2.26 2dbnA1 MET 367 HB3 0.00 -0.10 0.12 -0.04 2.03 2.01 2dbnA1 MET 367 HG2 -0.00 0.02 -0.04 -0.04 2.63 2.56 2dbnA1 MET 367 HG3 0.00 -0.05 -0.08 -0.04 2.56 2.40 2dbnA1 MET 367 HE3 -0.01 0.02 -0.11 -0.04 2.10 1.95 2dbnA1 CYS 368 H 0.03 0.29 0.34 -0.55 8.50 8.61 2dbnA1 CYS 368 HA 0.05 0.14 0.51 -0.75 4.58 4.53 2dbnA1 CYS 368 HB2 0.08 -0.04 0.26 -0.04 2.97 3.23 2dbnA1 CYS 368 HB3 0.15 0.23 0.12 -0.04 2.97 3.43 2dbnA1 GLU 369 H 0.03 0.25 0.19 -0.55 8.60 8.51 2dbnA1 GLU 369 HA 0.02 0.07 0.42 -0.75 4.29 4.05 2dbnA1 GLU 369 HB2 0.01 0.03 0.17 -0.04 2.09 2.26 2dbnA1 GLU 369 HB3 0.02 0.02 0.17 -0.04 1.99 2.16 2dbnA1 GLU 369 HG2 0.03 0.03 -0.14 -0.04 2.34 2.23 2dbnA1 GLU 369 HG3 0.03 -0.01 0.06 -0.04 2.34 2.38 2dbnA1 LYS 370 H 0.03 0.16 -0.06 -0.55 8.42 8.00 2dbnA1 LYS 370 HA 0.04 0.08 0.46 -0.75 4.32 4.15 2dbnA1 LYS 370 HB2 0.02 0.15 0.16 -0.04 1.87 2.15 2dbnA1 LYS 370 HB3 0.03 -0.07 0.16 -0.04 1.79 1.86 2dbnA1 LYS 370 HG2 0.03 -0.02 -0.19 -0.04 1.46 1.23 2dbnA1 LYS 370 HG3 0.02 -0.01 0.05 -0.04 1.46 1.48 2dbnA1 LYS 370 HD2 -0.02 0.18 -0.07 -0.04 1.69 1.75 2dbnA1 LYS 370 HD3 0.03 -0.13 -0.06 -0.04 1.68 1.48 2dbnA1 LYS 370 HE2 -0.03 -0.06 -0.55 -0.04 2.99 2.31 2dbnA1 LYS 370 HE3 -0.02 -0.05 -0.09 -0.04 2.99 2.79 2dbnA1 ASN 371 H 0.04 0.10 -0.11 -0.55 8.53 8.01 2dbnA1 ASN 371 HA 0.08 0.11 0.57 -0.75 4.76 4.77 2dbnA1 ASN 371 HB2 0.02 -0.08 0.18 -0.04 2.88 2.96 2dbnA1 ASN 371 HB3 0.03 0.03 0.05 -0.04 2.79 2.86 2dbnA1 ASN 371 HD21 -0.06 0.28 0.09 -0.04 7.03 7.30 2dbnA1 ASN 371 HD22 -0.05 0.50 -0.19 -0.04 7.74 7.97 2dbnA1 LEU 372 H 0.01 0.50 -0.14 -0.55 8.37 8.20 2dbnA1 LEU 372 HA -0.12 0.07 0.48 -0.75 4.35 4.03 2dbnA1 LEU 372 HB2 -0.03 -0.03 0.07 -0.04 1.64 1.60 2dbnA1 LEU 372 HB3 -0.01 0.12 0.15 -0.04 1.64 1.85 2dbnA1 LEU 372 HG -0.13 -0.00 -0.14 -0.04 1.64 1.32 2dbnA1 LEU 372 HD13 -0.18 0.01 0.05 -0.04 0.93 0.78 2dbnA1 LEU 372 HD23 0.05 -0.01 -0.03 -0.04 0.89 0.86 2dbnA1 ALA 373 H 0.03 0.43 -0.15 -0.55 8.40 8.16 2dbnA1 ALA 373 HA 0.13 0.01 0.44 -0.75 4.34 4.17 2dbnA1 ALA 373 HB3 0.09 0.06 0.15 -0.04 1.41 1.67 2dbnA1 TYR 374 H 0.17 0.34 -0.19 -0.55 8.29 8.06 2dbnA1 TYR 374 HA 0.06 0.02 0.50 -0.75 4.56 4.38 2dbnA1 TYR 374 HB2 0.06 0.14 0.08 -0.04 3.06 3.30 2dbnA1 TYR 374 HB3 0.06 0.11 0.08 -0.04 2.98 3.18 2dbnA1 TYR 374 HD2 0.14 0.08 -0.05 -0.04 7.15 7.28 2dbnA1 TYR 374 HE2 0.11 0.03 0.01 -0.04 6.85 6.96 2dbnA1 ALA 375 H 0.02 0.48 -0.19 -0.55 8.40 8.17 2dbnA1 ALA 375 HA -0.02 0.03 0.45 -0.75 4.34 4.05 2dbnA1 ALA 375 HB3 -0.11 0.03 0.05 -0.04 1.41 1.34 2dbnA1 HIS 376 H -0.20 0.46 -0.29 -0.55 8.41 7.83 2dbnA1 HIS 376 HA -0.02 0.08 0.45 -0.75 4.63 4.39 2dbnA1 HIS 376 HB2 0.00 0.14 0.13 -0.04 3.26 3.50 2dbnA1 HIS 376 HB3 -0.01 -0.09 0.05 -0.04 3.20 3.11 2dbnA1 HIS 376 HD2 0.02 -0.06 0.01 -0.04 6.97 6.89 2dbnA1 HIS 376 HE1 0.01 0.12 0.05 -0.04 7.75 7.89 2dbnA1 LYS 377 H -0.03 0.35 -0.20 -0.55 8.42 7.99 2dbnA1 LYS 377 HA -0.03 0.01 0.50 -0.75 4.32 4.05 2dbnA1 LYS 377 HB2 -0.28 0.17 0.23 -0.04 1.87 1.95 2dbnA1 LYS 377 HB3 -0.12 -0.09 0.07 -0.04 1.79 1.61 2dbnA1 LYS 377 HG2 0.02 -0.05 0.06 -0.04 1.46 1.44 2dbnA1 LYS 377 HG3 0.04 0.15 0.11 -0.04 1.46 1.72 2dbnA1 LYS 377 HD2 0.14 0.01 0.02 -0.04 1.69 1.83 2dbnA1 LYS 377 HD3 0.07 -0.04 0.03 -0.04 1.68 1.69 2dbnA1 LYS 377 HE2 0.10 -0.00 -0.01 -0.04 2.99 3.03 2dbnA1 LYS 377 HE3 0.06 -0.03 0.00 -0.04 2.99 2.98 2dbnA1 VAL 378 H -0.25 0.65 -0.05 -0.55 8.24 8.04 2dbnA1 VAL 378 HA -0.07 -0.05 0.44 -0.75 4.13 3.70 2dbnA1 VAL 378 HB -0.04 0.16 0.23 -0.04 2.12 2.43 2dbnA1 VAL 378 HG13 0.18 -0.01 -0.07 -0.04 0.97 1.03 2dbnA1 VAL 378 HG23 -0.35 0.12 0.05 -0.04 0.95 0.73 2dbnA1 LYS 379 H -0.02 0.67 -0.09 -0.55 8.42 8.42 2dbnA1 LYS 379 HA -0.05 -0.02 0.40 -0.75 4.32 3.90 2dbnA1 LYS 379 HB2 0.02 0.12 0.17 -0.04 1.87 2.15 2dbnA1 LYS 379 HB3 0.02 0.16 0.19 -0.04 1.79 2.13 2dbnA1 LYS 379 HG2 -0.03 -0.05 -0.21 -0.04 1.46 1.14 2dbnA1 LYS 379 HG3 -0.01 -0.08 0.04 -0.04 1.46 1.37 2dbnA1 LYS 379 HD2 0.05 0.08 -0.01 -0.04 1.69 1.77 2dbnA1 LYS 379 HD3 0.04 0.03 0.00 -0.04 1.68 1.72 2dbnA1 LYS 379 HE2 -0.00 -0.04 -0.01 -0.04 2.99 2.89 2dbnA1 LYS 379 HE3 0.01 -0.03 -0.01 -0.04 2.99 2.92 2dbnA1 ALA 380 H -0.04 0.45 -0.24 -0.55 8.40 8.03 2dbnA1 ALA 380 HA -0.07 -0.01 0.43 -0.75 4.34 3.94 2dbnA1 ALA 380 HB3 -0.03 0.03 0.11 -0.04 1.41 1.49 2dbnA1 ALA 381 H -0.06 0.53 -0.14 -0.55 8.40 8.18 2dbnA1 ALA 381 HA -0.04 -0.04 0.40 -0.75 4.34 3.91 2dbnA1 ALA 381 HB3 0.16 0.07 -0.02 -0.04 1.41 1.58 2dbnA1 LEU 382 H -0.34 0.70 -0.12 -0.55 8.37 8.06 2dbnA1 LEU 382 HA -2.24 -0.00 0.35 -0.75 4.35 1.71 2dbnA1 LEU 382 HB2 -0.72 0.02 0.05 -0.04 1.64 0.94 2dbnA1 LEU 382 HB3 -0.33 0.14 0.16 -0.04 1.64 1.57 2dbnA1 LEU 382 HG -0.25 -0.09 -0.30 -0.04 1.64 0.95 2dbnA1 LEU 382 HD13 -0.42 -0.00 -0.08 -0.04 0.93 0.39 2dbnA1 LEU 382 HD23 0.08 -0.01 -0.16 -0.04 0.89 0.76 2dbnA1 GLU 383 H -0.25 0.57 -0.15 -0.55 8.60 8.23 2dbnA1 GLU 383 HA -0.17 -0.12 0.38 -0.75 4.29 3.62 2dbnA1 GLU 383 HB2 -0.11 0.17 0.16 -0.04 2.09 2.27 2dbnA1 GLU 383 HB3 -0.09 -0.07 0.04 -0.04 1.99 1.83 2dbnA1 GLU 383 HG2 -0.09 -0.15 0.07 -0.04 2.34 2.13 2dbnA1 GLU 383 HG3 -0.11 0.38 0.11 -0.04 2.34 2.69 2dbnA1 LYS 384 H -0.19 0.33 -0.31 -0.55 8.42 7.70 2dbnA1 LYS 384 HA -0.08 0.12 0.73 -0.75 4.32 4.34 2dbnA1 LYS 384 HB2 -0.06 -0.03 0.12 -0.04 1.87 1.85 2dbnA1 LYS 384 HB3 -0.03 -0.05 0.07 -0.04 1.79 1.74 2dbnA1 LYS 384 HG2 -0.05 -0.03 -0.02 -0.04 1.46 1.33 2dbnA1 LYS 384 HG3 -0.07 0.16 0.05 -0.04 1.46 1.56 2dbnA1 LYS 384 HD2 -0.02 -0.03 0.00 -0.04 1.69 1.60 2dbnA1 LYS 384 HD3 -0.03 -0.05 -0.01 -0.04 1.68 1.55 2dbnA1 LYS 384 HE2 -0.03 0.08 -0.12 -0.04 2.99 2.87 2dbnA1 LYS 384 HE3 -0.02 -0.03 -0.02 -0.04 2.99 2.88 2dbnA1 GLY 385 H -0.40 0.54 -0.03 -0.55 8.43 7.99 2dbnA1 GLY 385 HA2 -0.54 -0.01 0.25 -0.51 4.01 3.19 2dbnA1 GLY 385 HA3 -0.04 0.13 0.42 -0.51 4.01 4.01 2dbnA1 ALA 386 H -0.01 0.25 -0.07 -0.55 8.40 8.03 2dbnA1 ALA 386 HA 0.11 -0.01 0.56 -0.75 4.34 4.24 2dbnA1 ALA 386 HB3 0.04 0.01 0.03 -0.04 1.41 1.44 2dbnA1 SER 387 H 0.06 -0.04 0.19 -0.55 8.46 8.12 2dbnA1 SER 387 HA -0.36 0.07 0.41 -0.75 4.49 3.86 2dbnA1 SER 387 HB2 0.01 0.02 0.14 -0.04 3.95 4.08 2dbnA1 SER 387 HB3 -0.07 0.22 0.04 -0.04 3.93 4.08 2dbnA1 PRO 388 HA 0.04 0.05 0.40 -0.51 4.44 4.42 2dbnA1 PRO 388 HB2 0.24 -0.01 -0.04 -0.04 2.28 2.43 2dbnA1 PRO 388 HB3 0.03 0.02 0.08 -0.04 2.02 2.11 2dbnA1 PRO 388 HG2 -0.82 0.10 -0.07 -0.04 2.03 1.20 2dbnA1 PRO 388 HG3 -0.39 0.06 0.00 -0.04 2.03 1.66 2dbnA1 PRO 388 HD2 -1.75 0.08 0.07 -0.04 3.68 2.04 2dbnA1 PRO 388 HD3 -1.42 0.10 0.13 -0.04 3.65 2.42 2dbnA1 GLY 389 H 0.08 0.10 0.10 -0.55 8.43 8.17 2dbnA1 GLY 389 HA2 0.08 0.10 0.31 -0.51 4.01 3.98 2dbnA1 GLY 389 HA3 0.17 -0.01 0.31 -0.51 4.01 3.97 2dbnA1 ASP 390 H 0.15 0.02 -0.21 -0.55 8.40 7.81 2dbnA1 ASP 390 HA -0.08 0.14 0.54 -0.75 4.63 4.48 2dbnA1 ASP 390 HB2 -0.40 -0.04 0.04 -0.04 2.71 2.26 2dbnA1 ASP 390 HB3 -0.35 0.27 0.26 -0.04 2.70 2.84 2dbnA1 PHE 391 H 0.09 0.43 -0.53 -0.55 8.34 7.78 2dbnA1 PHE 391 HA 0.05 0.19 0.87 -0.75 4.62 4.98 2dbnA1 PHE 391 HB2 -0.14 0.05 -0.06 -0.04 3.15 2.95 2dbnA1 PHE 391 HB3 0.13 -0.03 0.04 -0.04 3.06 3.16 2dbnA1 PHE 391 HD2 -0.05 -0.04 -0.10 -0.04 7.28 7.05 2dbnA1 PHE 391 HE2 -0.16 0.05 -0.00 -0.04 7.38 7.23 2dbnA1 PHE 391 HZ -0.02 -0.02 0.03 -0.04 7.32 7.27 2dbnA1 PRO 392 HA 0.08 0.04 0.39 -0.51 4.44 4.44 2dbnA1 PRO 392 HB2 0.15 -0.04 -0.03 -0.04 2.28 2.32 2dbnA1 PRO 392 HB3 0.09 0.03 0.03 -0.04 2.02 2.14 2dbnA1 PRO 392 HG2 0.15 0.02 0.05 -0.04 2.03 2.21 2dbnA1 PRO 392 HG3 0.11 0.08 0.05 -0.04 2.03 2.22 2dbnA1 PRO 392 HD2 0.32 0.04 0.15 -0.04 3.68 4.16 2dbnA1 PRO 392 HD3 0.23 0.20 0.20 -0.04 3.65 4.23 2dbnA1 ARG 393 H 0.05 0.13 0.11 -0.55 8.46 8.20 2dbnA1 ARG 393 HA 0.04 0.08 0.61 -0.75 4.34 4.31 2dbnA1 ARG 393 HB2 0.02 -0.02 0.22 -0.04 1.90 2.08 2dbnA1 ARG 393 HB3 0.01 -0.01 0.07 -0.04 1.80 1.83 2dbnA1 ARG 393 HG2 0.03 0.06 -0.01 -0.04 1.67 1.71 2dbnA1 ARG 393 HG3 0.03 0.06 0.04 -0.04 1.67 1.76 2dbnA1 ARG 393 HD2 0.02 -0.03 0.04 -0.04 3.22 3.20 2dbnA1 ARG 393 HD3 0.01 -0.03 0.01 -0.04 3.22 3.18 2dbnA1 GLU 394 H 0.04 0.19 0.23 -0.55 8.60 8.52 2dbnA1 GLU 394 HA -0.14 0.23 0.86 -0.75 4.29 4.49 2dbnA1 GLU 394 HB2 0.13 0.01 0.12 -0.04 2.09 2.30 2dbnA1 GLU 394 HB3 -0.23 -0.01 0.05 -0.04 1.99 1.76 2dbnA1 GLU 394 HG2 0.06 0.04 -0.05 -0.04 2.34 2.35 2dbnA1 GLU 394 HG3 0.09 -0.06 -0.41 -0.04 2.34 1.92 2dbnA1 ASP 395 H 0.01 -0.01 0.21 -0.55 8.40 8.07 2dbnA1 ASP 395 HA 0.04 -0.02 0.42 -0.75 4.63 4.31 2dbnA1 ASP 395 HB2 -0.05 0.18 -0.08 -0.04 2.71 2.72 2dbnA1 ASP 395 HB3 -0.00 0.03 0.16 -0.04 2.70 2.85 2dbnA1 TYR 396 H 0.01 0.07 -0.22 -0.55 8.29 7.60 2dbnA1 TYR 396 HA -0.03 0.17 0.39 -0.75 4.56 4.33 2dbnA1 TYR 396 HB2 -0.20 0.02 0.11 -0.04 3.06 2.96 2dbnA1 TYR 396 HB3 -0.33 -0.01 -0.04 -0.04 2.98 2.55 2dbnA1 TYR 396 HD2 0.19 0.03 0.02 -0.04 7.15 7.35 2dbnA1 TYR 396 HE2 0.23 0.13 -0.02 -0.04 6.85 7.15 2dbnA1 GLU 397 H -0.21 0.08 -0.14 -0.55 8.60 7.79 2dbnA1 GLU 397 HA -1.34 0.10 0.55 -0.75 4.29 2.85 2dbnA1 GLU 397 HB2 0.17 0.26 0.09 -0.04 2.09 2.56 2dbnA1 GLU 397 HB3 0.14 -0.01 0.13 -0.04 1.99 2.21 2dbnA1 GLU 397 HG2 -0.62 0.02 -0.03 -0.04 2.34 1.68 2dbnA1 GLU 397 HG3 -0.68 -0.01 0.02 -0.04 2.34 1.63 2dbnA1 THR 398 H -0.04 0.31 -0.38 -0.55 8.28 7.62 2dbnA1 THR 398 HA 0.04 0.27 0.44 -0.75 4.39 4.38 2dbnA1 THR 398 HB 0.03 -0.03 0.05 -0.04 4.32 4.32 2dbnA1 THR 398 HG23 0.02 -0.01 -0.14 -0.04 1.22 1.05 2dbnA1 ASN 399 H 0.17 0.15 -0.32 -0.55 8.53 7.99 2dbnA1 ASN 399 HA 0.14 0.23 0.93 -0.75 4.76 5.30 2dbnA1 ASN 399 HB2 0.14 -0.05 0.15 -0.04 2.88 3.08 2dbnA1 ASN 399 HB3 0.13 -0.02 -0.04 -0.04 2.79 2.81 2dbnA1 ASN 399 HD21 0.19 0.01 -0.01 -0.04 7.03 7.18 2dbnA1 ASN 399 HD22 0.13 -0.05 0.03 -0.04 7.74 7.81 2dbnA1 TRP 400 H 0.38 0.51 -0.19 -0.55 7.97 8.12 2dbnA1 TRP 400 HA 0.04 0.09 0.68 -0.75 4.62 4.68 2dbnA1 TRP 400 HB2 0.14 0.11 0.15 -0.04 3.23 3.59 2dbnA1 TRP 400 HB3 0.00 0.02 -0.02 -0.04 3.23 3.20 2dbnA1 TRP 400 HD1 0.08 -0.12 -0.25 -0.04 7.22 6.88 2dbnA1 TRP 400 HE1 0.15 0.03 -0.00 -0.04 10.20 10.33 2dbnA1 TRP 400 HE3 -1.07 -0.02 -0.10 -0.04 7.59 6.36 2dbnA1 TRP 400 HZ2 0.25 0.01 -0.07 -0.04 7.44 7.59 2dbnA1 TRP 400 HZ3 -0.62 -0.10 -0.15 -0.04 7.13 6.22 2dbnA1 TRP 400 HH2 -0.17 -0.07 -0.05 -0.04 7.19 6.85 2dbnA1 GLU 401 H 0.08 0.16 0.17 -0.55 8.60 8.46 2dbnA1 GLU 401 HA 0.16 0.18 0.85 -0.75 4.29 4.73 2dbnA1 GLU 401 HB2 0.06 0.07 0.05 -0.04 2.09 2.23 2dbnA1 GLU 401 HB3 0.04 0.02 0.06 -0.04 1.99 2.06 2dbnA1 GLU 401 HG2 0.04 0.01 0.02 -0.04 2.34 2.36 2dbnA1 GLU 401 HG3 0.07 -0.02 -0.02 -0.04 2.34 2.32 2dbnA1 GLY 402 H 0.13 0.18 0.14 -0.55 8.43 8.33 2dbnA1 GLY 402 HA2 0.10 -0.00 0.32 -0.51 4.01 3.92 2dbnA1 GLY 402 HA3 0.21 0.10 0.58 -0.51 4.01 4.39 2dbnA1 ARG 403 H 0.27 0.09 -0.41 -0.55 8.46 7.87 2dbnA1 ARG 403 HA 0.16 -0.00 0.35 -0.75 4.34 4.09 2dbnA1 ARG 403 HB2 0.41 0.05 -0.12 -0.04 1.90 2.20 2dbnA1 ARG 403 HB3 0.18 0.00 -0.09 -0.04 1.80 1.86 2dbnA1 ARG 403 HG2 0.21 0.26 -0.03 -0.04 1.67 2.07 2dbnA1 ARG 403 HG3 0.43 -0.18 -0.00 -0.04 1.67 1.88 2dbnA1 ARG 403 HD2 0.13 -0.11 -0.01 -0.04 3.22 3.19 2dbnA1 ARG 403 HD3 0.25 0.15 0.00 -0.04 3.22 3.58 2dbnA1 PHE 404 H 0.24 0.61 0.22 -0.55 8.34 8.86 2dbnA1 PHE 404 HA -0.01 -0.02 0.52 -0.75 4.62 4.36 2dbnA1 PHE 404 HB2 -0.02 -0.10 -0.14 -0.04 3.15 2.85 2dbnA1 PHE 404 HB3 0.10 0.06 0.03 -0.04 3.06 3.21 2dbnA1 PHE 404 HD2 -0.01 -0.03 -0.23 -0.04 7.28 6.98 2dbnA1 PHE 404 HE2 0.00 0.00 -0.19 -0.04 7.38 7.15 2dbnA1 PHE 404 HZ 0.02 -0.05 -0.34 -0.04 7.32 6.90 2dbnA1 THR 405 H -0.45 0.05 0.13 -0.55 8.28 7.45 2dbnA1 THR 405 HA -0.10 0.40 0.85 -0.75 4.39 4.79 2dbnA1 THR 405 HB -0.10 -0.02 0.14 -0.04 4.32 4.29 2dbnA1 THR 405 HG23 -0.05 0.10 -0.21 -0.04 1.22 1.02 2dbnA1 LEU 406 H -0.11 0.27 0.10 -0.55 8.37 8.08 2dbnA1 LEU 406 HA -0.04 0.11 0.35 -0.75 4.35 4.01 2dbnA1 LEU 406 HB2 -0.07 -0.02 0.10 -0.04 1.64 1.60 2dbnA1 LEU 406 HB3 -0.04 0.03 0.01 -0.04 1.64 1.59 2dbnA1 LEU 406 HG -0.09 0.03 0.05 -0.04 1.64 1.60 2dbnA1 LEU 406 HD13 -0.05 0.01 0.01 -0.04 0.93 0.87 2dbnA1 LEU 406 HD23 -0.04 0.02 -0.00 -0.04 0.89 0.83 2dbnA1 ALA 407 H -0.13 0.07 -0.27 -0.55 8.40 7.52 2dbnA1 ALA 407 HA -0.08 0.11 0.37 -0.75 4.34 3.99 2dbnA1 ALA 407 HB3 -0.09 0.00 0.03 -0.04 1.41 1.31 2dbnA1 ASP 408 H -0.41 0.41 -0.53 -0.55 8.40 7.32 2dbnA1 ASP 408 HA -0.24 0.13 0.63 -0.75 4.63 4.40 2dbnA1 ASP 408 HB2 -1.88 0.14 0.05 -0.04 2.71 0.98 2dbnA1 ASP 408 HB3 -0.84 -0.04 0.06 -0.04 2.70 1.84 2dbnA1 LEU 409 H -0.14 0.39 -0.27 -0.55 8.37 7.80 2dbnA1 LEU 409 HA 0.29 -0.04 0.41 -0.75 4.35 4.25 2dbnA1 LEU 409 HB2 0.03 0.15 0.10 -0.04 1.64 1.87 2dbnA1 LEU 409 HB3 0.10 -0.03 -0.09 -0.04 1.64 1.58 2dbnA1 LEU 409 HG 0.16 0.02 -0.01 -0.04 1.64 1.77 2dbnA1 LEU 409 HD13 0.06 0.01 -0.05 -0.04 0.93 0.90 2dbnA1 LEU 409 HD23 0.28 -0.02 -0.15 -0.04 0.89 0.96 2dbnA1 ASN 410 H 0.15 0.03 0.19 -0.55 8.53 8.36 2dbnA1 ASN 410 HA 0.04 0.26 0.77 -0.75 4.76 5.07 2dbnA1 ASN 410 HB2 0.01 -0.09 0.21 -0.04 2.88 2.96 2dbnA1 ASN 410 HB3 0.05 0.13 0.10 -0.04 2.79 3.03 2dbnA1 ASN 410 HD21 0.08 0.46 0.05 -0.04 7.03 7.58 2dbnA1 ASN 410 HD22 0.06 -0.01 0.04 -0.04 7.74 7.79 2dbnA1 ILE 411 H 0.02 0.18 0.15 -0.55 8.25 8.05 2dbnA1 ILE 411 HA 0.06 0.13 0.34 -0.75 4.18 3.96 2dbnA1 ILE 411 HB 0.03 0.04 0.13 -0.04 1.89 2.05 2dbnA1 ILE 411 HG12 0.07 0.02 -0.01 -0.04 1.49 1.53 2dbnA1 ILE 411 HG13 0.12 0.01 -0.15 -0.04 1.21 1.15 2dbnA1 ILE 411 HG23 0.02 0.01 0.04 -0.04 0.93 0.97 2dbnA1 ILE 411 HD13 0.05 0.01 0.03 -0.04 0.88 0.92 2dbnA1 HIS 412 H 0.10 0.09 -0.14 -0.55 8.41 7.92 2dbnA1 HIS 412 HA 0.04 0.10 0.44 -0.75 4.63 4.46 2dbnA1 HIS 412 HB2 0.06 0.05 0.11 -0.04 3.26 3.43 2dbnA1 HIS 412 HB3 0.05 0.10 -0.03 -0.04 3.20 3.28 2dbnA1 HIS 412 HD2 0.07 0.13 -0.13 -0.04 6.97 6.98 2dbnA1 HIS 412 HE1 0.04 0.01 -0.00 -0.04 7.75 7.74 2dbnA1 GLY 413 H 0.15 0.04 -0.21 -0.55 8.43 7.86 2dbnA1 GLY 413 HA2 0.10 0.12 0.36 -0.51 4.01 4.08 2dbnA1 GLY 413 HA3 0.13 -0.01 0.27 -0.51 4.01 3.89 2dbnA1 LYS 414 H 0.09 0.44 -0.25 -0.55 8.42 8.15 2dbnA1 LYS 414 HA 0.06 0.04 0.38 -0.75 4.32 4.05 2dbnA1 LYS 414 HB2 0.06 0.07 0.05 -0.04 1.87 2.01 2dbnA1 LYS 414 HB3 0.05 0.06 -0.12 -0.04 1.79 1.74 2dbnA1 LYS 414 HG2 0.04 -0.03 -0.08 -0.04 1.46 1.35 2dbnA1 LYS 414 HG3 0.06 0.10 -0.20 -0.04 1.46 1.38 2dbnA1 LYS 414 HD2 0.04 -0.07 -0.16 -0.04 1.69 1.45 2dbnA1 LYS 414 HD3 0.03 0.05 -0.12 -0.04 1.68 1.60 2dbnA1 LYS 414 HE2 0.01 -0.01 -0.09 -0.04 2.99 2.86 2dbnA1 LYS 414 HE3 0.02 0.15 -0.20 -0.04 2.99 2.92 2dbnA1 ARG 415 H 0.07 0.46 -0.13 -0.55 8.46 8.31 2dbnA1 ARG 415 HA 0.03 0.10 0.44 -0.75 4.34 4.16 2dbnA1 ARG 415 HB2 0.03 0.11 0.15 -0.04 1.90 2.15 2dbnA1 ARG 415 HB3 0.01 -0.06 0.02 -0.04 1.80 1.73 2dbnA1 ARG 415 HG2 0.04 -0.01 0.03 -0.04 1.67 1.68 2dbnA1 ARG 415 HG3 0.07 0.20 0.10 -0.04 1.67 2.00 2dbnA1 ARG 415 HD2 0.04 -0.00 -0.01 -0.04 3.22 3.20 2dbnA1 ARG 415 HD3 0.02 -0.03 -0.02 -0.04 3.22 3.15 2dbnA1 ALA 416 H 0.05 0.49 -0.25 -0.55 8.40 8.15 2dbnA1 ALA 416 HA 0.02 0.03 0.29 -0.75 4.34 3.92 2dbnA1 ALA 416 HB3 0.05 -0.00 0.13 -0.04 1.41 1.54 2dbnA1 LEU 417 H 0.04 0.30 -0.76 -0.55 8.37 7.41 2dbnA1 LEU 417 HA 0.02 0.13 0.91 -0.75 4.35 4.65 2dbnA1 LEU 417 HB2 0.05 0.05 0.10 -0.04 1.64 1.80 2dbnA1 LEU 417 HB3 0.04 -0.06 0.16 -0.04 1.64 1.74 2dbnA1 LEU 417 HG 0.07 0.11 -0.12 -0.04 1.64 1.66 2dbnA1 LEU 417 HD13 0.06 -0.04 -0.06 -0.04 0.93 0.85 2dbnA1 LEU 417 HD23 0.06 0.00 0.01 -0.04 0.89 0.92 2dbnA1 GLY 418 H 0.01 0.49 -0.21 -0.55 8.43 8.17 2dbnA1 GLY 418 HA2 0.01 0.02 0.32 -0.51 4.01 3.85 2dbnA1 GLY 418 HA3 -0.05 -0.02 0.36 -0.51 4.01 3.79 2dbnA1 MET 419 H 0.05 0.48 -0.18 -0.55 8.47 8.26 2dbnA1 MET 419 HA 0.07 0.06 0.57 -0.75 4.52 4.46 2dbnA1 MET 419 HB2 0.04 0.00 -0.00 -0.04 2.15 2.15 2dbnA1 MET 419 HB3 0.03 -0.04 -0.01 -0.04 2.03 1.97 2dbnA1 MET 419 HG2 0.04 -0.04 -0.04 -0.04 2.63 2.56 2dbnA1 MET 419 HG3 0.05 0.12 -0.17 -0.04 2.56 2.52 2dbnA1 MET 419 HE3 0.01 -0.01 -0.03 -0.04 2.10 2.03 2dbnA1 ASP 420 H 0.03 0.05 0.03 -0.55 8.40 7.96 2dbnA1 ASP 420 HA 0.03 0.18 0.32 -0.75 4.63 4.41 2dbnA1 ASP 420 HB2 0.02 -0.01 0.07 -0.04 2.71 2.75 2dbnA1 ASP 420 HB3 0.02 0.00 0.04 -0.04 2.70 2.72