============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 27 rings ring int. center anis. iso. TYR 28 0.840 37.906 19.719 22.101 -99.200 -91.000 HIS 41 0.900 17.476 31.655 31.243 -99.200 -91.000 TYR 45 0.840 16.068 32.742 35.992 -99.200 -91.000 TRP 56 1.040 37.636 42.103 29.614 -99.200 -91.000 TRP6 56 1.020 36.754 39.922 29.344 -99.200 -91.000 PHE 61 1.000 38.767 38.911 20.748 -99.200 -91.000 HIS 63 0.900 46.966 39.326 28.406 -99.200 -91.000 TRP 64 1.040 43.460 35.869 25.310 -99.200 -91.000 TRP6 64 1.020 41.388 35.048 24.495 -99.200 -91.000 HIS 70 0.900 47.119 29.392 16.252 -99.200 -91.000 PHE 71 1.000 42.710 30.897 22.033 -99.200 -91.000 TYR 78 0.840 23.406 37.193 22.605 -99.200 -91.000 TYR 91 0.840 41.944 36.531 18.768 -99.200 -91.000 TYR 113 0.840 16.395 35.300 19.475 -99.200 -91.000 PHE 116 1.000 20.718 40.200 18.362 -99.200 -91.000 TYR 120 0.840 23.959 40.502 16.232 -99.200 -91.000 TYR 148 0.840 9.546 31.903 9.920 -99.200 -91.000 HIS 170 0.900 30.205 20.479 5.427 -99.200 -91.000 TRP 186 1.040 24.631 17.340 6.138 -99.200 -91.000 TRP6 186 1.020 23.381 15.830 7.453 -99.200 -91.000 HIS 192 0.900 21.855 14.071 -4.411 -99.200 -91.000 TYR 195 0.840 15.183 15.440 9.631 -99.200 -91.000 HIS 204 0.900 11.815 26.244 24.235 -99.200 -91.000 TYR 205 0.840 12.308 20.290 27.626 -99.200 -91.000 TYR 224 0.840 34.176 10.834 16.390 -99.200 -91.000 TRP 236 1.040 26.087 11.919 22.795 -99.200 -91.000 TRP6 236 1.020 28.260 12.835 22.823 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 3hyoA1 LEU 1 HA -0.05 -0.05 0.27 -0.75 4.35 3.77 3hyoA1 LEU 1 HB2 -0.01 -0.11 0.01 -0.04 1.64 1.49 3hyoA1 LEU 1 HB3 -0.02 0.10 -0.12 -0.04 1.64 1.56 3hyoA1 LEU 1 HG -0.02 -0.11 0.01 -0.04 1.64 1.48 3hyoA1 LEU 1 HD13 -0.02 0.00 -0.16 -0.04 0.93 0.71 3hyoA1 LEU 1 HD23 -0.07 0.08 0.09 -0.04 0.89 0.95 3hyoA1 SER 2 H -0.06 0.14 0.16 -0.55 8.46 8.16 3hyoA1 SER 2 HA 0.03 0.02 0.50 -0.75 4.49 4.29 3hyoA1 SER 2 HB2 0.08 -0.05 0.17 -0.04 3.95 4.12 3hyoA1 SER 2 HB3 -0.00 0.03 0.18 -0.04 3.93 4.09 3hyoA1 THR 3 H 0.08 0.07 0.22 -0.55 8.28 8.11 3hyoA1 THR 3 HA 0.14 0.43 0.93 -0.75 4.39 5.13 3hyoA1 THR 3 HB 0.07 -0.13 0.25 -0.04 4.32 4.46 3hyoA1 THR 3 HG23 0.19 0.05 0.06 -0.04 1.22 1.48 3hyoA1 LEU 5 HA -0.26 -0.06 0.41 -0.75 4.35 3.68 3hyoA1 LEU 5 HB2 -1.06 -0.01 0.06 -0.04 1.64 0.58 3hyoA1 LEU 5 HB3 -0.25 0.03 0.24 -0.04 1.64 1.61 3hyoA1 LEU 5 HG -0.07 -0.07 -0.35 -0.04 1.64 1.11 3hyoA1 LEU 5 HD13 -0.12 0.03 -0.07 -0.04 0.93 0.72 3hyoA1 LEU 5 HD23 -0.02 -0.00 -0.10 -0.04 0.89 0.73 3hyoA1 VAL 6 H -0.03 0.69 0.31 -0.55 8.24 8.65 3hyoA1 VAL 6 HA -0.01 0.34 1.06 -0.75 4.13 4.77 3hyoA1 VAL 6 HB 0.02 -0.08 0.11 -0.04 2.12 2.13 3hyoA1 VAL 6 HG13 0.03 -0.04 -0.19 -0.04 0.97 0.72 3hyoA1 VAL 6 HG23 -0.03 0.02 -0.19 -0.04 0.95 0.70 3hyoA1 ALA 7 H 0.04 0.63 0.28 -0.55 8.40 8.80 3hyoA1 ALA 7 HA 0.10 0.41 1.10 -0.75 4.34 5.19 3hyoA1 ALA 7 HB3 0.10 -0.01 0.04 -0.04 1.41 1.51 3hyoA1 GLU 8 H 0.11 0.58 0.28 -0.55 8.60 9.01 3hyoA1 GLU 8 HA 0.14 0.39 0.41 -0.75 4.29 4.48 3hyoA1 GLU 8 HB2 0.15 -0.23 0.24 -0.04 2.09 2.21 3hyoA1 GLU 8 HB3 0.11 0.03 0.09 -0.04 1.99 2.17 3hyoA1 GLU 8 HG2 0.07 0.08 -0.36 -0.04 2.34 2.09 3hyoA1 GLU 8 HG3 0.08 0.02 -0.18 -0.04 2.34 2.22 3hyoA1 ASP 9 H 0.23 0.08 0.20 -0.55 8.40 8.37 3hyoA1 ASP 9 HA 0.14 -0.01 0.61 -0.75 4.63 4.62 3hyoA1 ASP 9 HB2 0.05 0.05 -0.10 -0.04 2.71 2.67 3hyoA1 ASP 9 HB3 0.23 0.07 0.03 -0.04 2.70 3.00 3hyoA1 LEU 10 H 0.05 0.73 0.38 -0.55 8.37 8.99 3hyoA1 LEU 10 HA 0.03 0.02 0.92 -0.75 4.35 4.57 3hyoA1 LEU 10 HB2 0.05 0.06 0.04 -0.04 1.64 1.74 3hyoA1 LEU 10 HB3 0.02 0.04 0.27 -0.04 1.64 1.93 3hyoA1 LEU 10 HG -0.01 -0.04 -0.30 -0.04 1.64 1.25 3hyoA1 LEU 10 HD13 0.02 0.00 -0.06 -0.04 0.93 0.85 3hyoA1 LEU 10 HD23 0.01 0.02 -0.04 -0.04 0.89 0.84 3hyoA1 SER 11 H 0.01 0.15 -0.01 -0.55 8.46 8.06 3hyoA1 SER 11 HA -0.04 0.25 0.82 -0.75 4.49 4.76 3hyoA1 SER 11 HB2 -0.07 0.16 -0.33 -0.04 3.95 3.66 3hyoA1 SER 11 HB3 -0.02 0.03 -0.36 -0.04 3.93 3.54 3hyoA1 ALA 12 H -0.07 0.66 0.11 -0.55 8.40 8.55 3hyoA1 ALA 12 HA -0.04 0.02 0.30 -0.75 4.34 3.87 3hyoA1 ALA 12 HB3 -0.07 0.05 0.17 -0.04 1.41 1.51 3hyoA1 VAL 13 H -0.17 0.39 0.01 -0.55 8.24 7.92 3hyoA1 VAL 13 HA -0.10 0.16 0.91 -0.75 4.13 4.34 3hyoA1 VAL 13 HB -0.37 0.09 0.24 -0.04 2.12 2.04 3hyoA1 VAL 13 HG13 -0.32 -0.02 -0.10 -0.04 0.97 0.49 3hyoA1 VAL 13 HG23 -0.12 0.01 -0.03 -0.04 0.95 0.77 3hyoA1 GLY 14 H -0.03 0.21 0.10 -0.55 8.43 8.17 3hyoA1 GLY 14 HA2 0.08 0.07 0.23 -0.51 4.01 3.88 3hyoA1 GLY 14 HA3 0.11 0.05 0.73 -0.51 4.01 4.39 3hyoA1 GLY 15 H 0.03 0.24 0.01 -0.55 8.43 8.17 3hyoA1 GLY 15 HA2 0.03 0.12 0.24 -0.51 4.01 3.89 3hyoA1 GLY 15 HA3 0.05 0.11 0.35 -0.51 4.01 4.01 3hyoA1 ILE 16 H 0.07 0.10 -0.15 -0.55 8.25 7.73 3hyoA1 ILE 16 HA 0.03 0.31 0.87 -0.75 4.18 4.63 3hyoA1 ILE 16 HB -0.00 -0.18 0.12 -0.04 1.89 1.78 3hyoA1 ILE 16 HG12 0.18 0.03 -0.18 -0.04 1.49 1.48 3hyoA1 ILE 16 HG13 0.05 -0.03 -0.38 -0.04 1.21 0.81 3hyoA1 ILE 16 HG23 0.01 0.08 -0.28 -0.04 0.93 0.70 3hyoA1 ILE 16 HD13 -0.10 -0.01 -0.05 -0.04 0.88 0.68 3hyoA1 SER 17 H 0.02 0.08 0.14 -0.55 8.46 8.15 3hyoA1 SER 17 HA 0.04 0.04 0.35 -0.75 4.49 4.16 3hyoA1 SER 17 HB2 0.05 0.23 0.36 -0.04 3.95 4.54 3hyoA1 SER 17 HB3 0.03 -0.08 0.08 -0.04 3.93 3.92 3hyoA1 LEU 18 H 0.05 0.54 0.27 -0.55 8.37 8.68 3hyoA1 LEU 18 HA 0.05 0.05 0.27 -0.75 4.35 3.97 3hyoA1 LEU 18 HB2 0.07 0.09 -0.09 -0.04 1.64 1.67 3hyoA1 LEU 18 HB3 0.05 -0.04 0.04 -0.04 1.64 1.65 3hyoA1 LEU 18 HG 0.05 0.00 -0.13 -0.04 1.64 1.52 3hyoA1 LEU 18 HD13 0.06 -0.01 -0.09 -0.04 0.93 0.84 3hyoA1 LEU 18 HD23 0.08 0.03 -0.31 -0.04 0.89 0.65 3hyoA1 SER 19 H 0.03 0.15 -0.12 -0.55 8.46 7.98 3hyoA1 SER 19 HA 0.02 0.12 0.42 -0.75 4.49 4.30 3hyoA1 SER 19 HB2 0.01 0.06 0.07 -0.04 3.95 4.05 3hyoA1 SER 19 HB3 0.02 0.03 0.09 -0.04 3.93 4.03 3hyoA1 SER 20 H 0.03 0.17 -0.64 -0.55 8.46 7.47 3hyoA1 SER 20 HA 0.02 0.19 0.67 -0.75 4.49 4.61 3hyoA1 SER 20 HB2 0.02 0.04 -0.03 -0.04 3.95 3.93 3hyoA1 SER 20 HB3 0.02 0.16 -0.19 -0.04 3.93 3.88 3hyoA1 ALA 21 H 0.03 0.37 -0.15 -0.55 8.40 8.10 3hyoA1 ALA 21 HA 0.03 0.03 0.31 -0.75 4.34 3.96 3hyoA1 ALA 21 HB3 0.03 -0.00 -0.05 -0.04 1.41 1.35 3hyoA1 LEU 22 H 0.03 0.43 -0.26 -0.55 8.37 8.03 3hyoA1 LEU 22 HA 0.04 0.03 0.25 -0.75 4.35 3.91 3hyoA1 LEU 22 HB2 0.03 0.11 0.09 -0.04 1.64 1.83 3hyoA1 LEU 22 HB3 0.03 0.02 -0.07 -0.04 1.64 1.58 3hyoA1 LEU 22 HG 0.04 -0.05 -0.04 -0.04 1.64 1.54 3hyoA1 LEU 22 HD13 0.04 -0.01 -0.05 -0.04 0.93 0.87 3hyoA1 LEU 22 HD23 0.05 0.01 -0.03 -0.04 0.89 0.87 3hyoA1 PRO 23 HA 0.02 0.07 0.43 -0.51 4.44 4.45 3hyoA1 PRO 23 HB2 0.00 0.03 0.01 -0.04 2.28 2.27 3hyoA1 PRO 23 HB3 -0.00 -0.01 0.04 -0.04 2.02 2.01 3hyoA1 PRO 23 HG2 0.01 0.02 0.09 -0.04 2.03 2.11 3hyoA1 PRO 23 HG3 0.01 -0.02 0.04 -0.04 2.03 2.02 3hyoA1 PRO 23 HD2 0.02 0.15 -0.34 -0.04 3.68 3.47 3hyoA1 PRO 23 HD3 0.02 0.09 -0.02 -0.04 3.65 3.70 3hyoA1 VAL 24 H 0.02 0.36 -0.27 -0.55 8.24 7.80 3hyoA1 VAL 24 HA 0.00 0.00 0.33 -0.75 4.13 3.71 3hyoA1 VAL 24 HB 0.04 0.03 0.08 -0.04 2.12 2.23 3hyoA1 VAL 24 HG13 0.08 0.00 -0.26 -0.04 0.97 0.75 3hyoA1 VAL 24 HG23 0.00 -0.01 -0.01 -0.04 0.95 0.89 3hyoA1 LEU 25 H 0.05 0.62 -0.08 -0.55 8.37 8.41 3hyoA1 LEU 25 HA 0.15 0.08 0.25 -0.75 4.35 4.08 3hyoA1 LEU 25 HB2 0.03 0.05 0.01 -0.04 1.64 1.69 3hyoA1 LEU 25 HB3 0.02 -0.00 -0.10 -0.04 1.64 1.52 3hyoA1 LEU 25 HG 0.02 -0.10 -0.09 -0.04 1.64 1.43 3hyoA1 LEU 25 HD13 -0.06 -0.03 -0.11 -0.04 0.93 0.69 3hyoA1 LEU 25 HD23 -0.16 0.05 -0.08 -0.04 0.89 0.65 3hyoA1 THR 26 H 0.07 0.41 -0.20 -0.55 8.28 8.01 3hyoA1 THR 26 HA 0.10 0.25 0.58 -0.75 4.39 4.56 3hyoA1 THR 26 HB 0.04 -0.01 0.13 -0.04 4.32 4.44 3hyoA1 THR 26 HG23 0.03 -0.02 -0.08 -0.04 1.22 1.11 3hyoA1 ALA 27 H 0.04 0.48 -0.18 -0.55 8.40 8.19 3hyoA1 ALA 27 HA 0.01 -0.04 0.23 -0.75 4.34 3.79 3hyoA1 ALA 27 HB3 -0.01 -0.01 0.13 -0.04 1.41 1.47 3hyoA1 GLN 29 HA -0.04 -0.02 0.15 -0.75 4.36 3.70 3hyoA1 GLN 29 HB2 -0.16 -0.04 0.13 -0.04 2.15 2.04 3hyoA1 GLN 29 HB3 -0.11 -0.09 0.21 -0.04 2.02 1.98 3hyoA1 GLN 29 HG2 -0.03 -0.05 0.11 -0.04 2.40 2.39 3hyoA1 GLN 29 HG3 -0.01 0.18 0.54 -0.04 2.39 3.06 3hyoA1 GLN 29 HE21 -0.00 0.01 0.06 -0.04 6.97 6.99 3hyoA1 GLN 29 HE22 -0.01 -0.02 0.06 -0.04 7.69 7.67 3hyoA1 TYR 30 H 0.16 0.56 0.27 -0.55 8.29 8.74 3hyoA1 TYR 30 HA 0.02 0.22 0.97 -0.75 4.56 5.02 3hyoA1 TYR 30 HB2 0.03 -0.01 -0.14 -0.04 3.06 2.90 3hyoA1 TYR 30 HB3 0.03 -0.07 -0.20 -0.04 2.98 2.71 3hyoA1 TYR 30 HD2 0.04 0.11 -0.10 -0.04 7.15 7.15 3hyoA1 TYR 30 HE2 0.05 -0.03 -0.09 -0.04 6.85 6.74 3hyoA1 ASP 31 H 0.12 0.75 0.15 -0.55 8.40 8.88 3hyoA1 ASP 31 HA 0.07 0.06 0.79 -0.75 4.63 4.80 3hyoA1 ASP 31 HB2 0.06 0.08 0.07 -0.04 2.71 2.88 3hyoA1 ASP 31 HB3 0.04 -0.08 -0.03 -0.04 2.70 2.59 3hyoA1 VAL 32 H 0.07 0.17 0.02 -0.55 8.24 7.95 3hyoA1 VAL 32 HA 0.05 0.14 0.42 -0.75 4.13 3.99 3hyoA1 VAL 32 HB 0.05 -0.04 0.03 -0.04 2.12 2.13 3hyoA1 VAL 32 HG13 0.03 -0.04 -0.36 -0.04 0.97 0.56 3hyoA1 VAL 32 HG23 0.07 0.06 -0.23 -0.04 0.95 0.81 3hyoA1 ALA 33 H -0.00 0.28 0.19 -0.55 8.40 8.32 3hyoA1 ALA 33 HA 0.05 0.13 0.80 -0.75 4.34 4.56 3hyoA1 ALA 33 HB3 -0.13 0.02 0.10 -0.04 1.41 1.36 3hyoA1 ALA 34 H 0.10 0.22 -0.02 -0.55 8.40 8.16 3hyoA1 ALA 34 HA 0.08 0.17 0.70 -0.75 4.34 4.53 3hyoA1 ALA 34 HB3 0.08 -0.01 0.02 -0.04 1.41 1.46 3hyoA1 LEU 35 H 0.12 0.79 0.32 -0.55 8.37 9.05 3hyoA1 LEU 35 HA 0.25 0.18 0.80 -0.75 4.35 4.83 3hyoA1 LEU 35 HB2 0.32 0.00 -0.14 -0.04 1.64 1.78 3hyoA1 LEU 35 HB3 0.15 0.01 0.11 -0.04 1.64 1.86 3hyoA1 LEU 35 HG 0.01 0.00 -0.31 -0.04 1.64 1.30 3hyoA1 LEU 35 HD13 -0.32 -0.00 -0.05 -0.04 0.93 0.51 3hyoA1 LEU 35 HD23 -0.10 -0.01 -0.10 -0.04 0.89 0.64 3hyoA1 PRO 36 HA 0.12 0.30 0.65 -0.51 4.44 5.00 3hyoA1 PRO 36 HB2 0.12 -0.05 -0.03 -0.04 2.28 2.28 3hyoA1 PRO 36 HB3 0.07 0.02 0.12 -0.04 2.02 2.19 3hyoA1 PRO 36 HG2 0.04 0.01 0.06 -0.04 2.03 2.10 3hyoA1 PRO 36 HG3 0.09 0.02 0.02 -0.04 2.03 2.11 3hyoA1 PRO 36 HD2 0.44 0.05 0.21 -0.04 3.68 4.34 3hyoA1 PRO 36 HD3 0.23 0.46 0.29 -0.04 3.65 4.59 3hyoA1 THR 37 H 0.14 0.32 0.02 -0.55 8.28 8.21 3hyoA1 THR 37 HA 0.12 0.16 0.76 -0.75 4.39 4.68 3hyoA1 THR 37 HB 0.09 0.02 0.11 -0.04 4.32 4.50 3hyoA1 THR 37 HG23 0.09 0.03 -0.13 -0.04 1.22 1.17 3hyoA1 SER 38 H 0.12 0.23 0.13 -0.55 8.46 8.39 3hyoA1 SER 38 HA 0.07 0.14 0.52 -0.75 4.49 4.47 3hyoA1 SER 38 HB2 0.17 0.16 -0.07 -0.04 3.95 4.17 3hyoA1 SER 38 HB3 0.17 -0.14 -0.04 -0.04 3.93 3.88 3hyoA1 LEU 39 H 0.00 0.39 0.24 -0.55 8.37 8.46 3hyoA1 LEU 39 HA -0.01 0.33 1.05 -0.75 4.35 4.96 3hyoA1 LEU 39 HB2 -0.07 0.03 -0.04 -0.04 1.64 1.52 3hyoA1 LEU 39 HB3 -0.07 -0.09 0.19 -0.04 1.64 1.63 3hyoA1 LEU 39 HG -0.07 -0.01 -0.15 -0.04 1.64 1.37 3hyoA1 LEU 39 HD13 -0.05 0.04 0.05 -0.04 0.93 0.93 3hyoA1 LEU 39 HD23 -0.13 0.01 -0.03 -0.04 0.89 0.69 3hyoA1 LEU 40 H -0.03 0.66 0.41 -0.55 8.37 8.86 3hyoA1 LEU 40 HA -0.04 0.33 1.15 -0.75 4.35 5.02 3hyoA1 LEU 40 HB2 -0.05 -0.09 -0.06 -0.04 1.64 1.40 3hyoA1 LEU 40 HB3 -0.05 0.08 0.06 -0.04 1.64 1.68 3hyoA1 LEU 40 HG -0.02 0.02 -0.36 -0.04 1.64 1.24 3hyoA1 LEU 40 HD13 -0.01 -0.00 -0.31 -0.04 0.93 0.57 3hyoA1 LEU 40 HD23 -0.05 -0.00 -0.09 -0.04 0.89 0.70 3hyoA1 SER 41 H -0.07 0.48 0.34 -0.55 8.46 8.67 3hyoA1 SER 41 HA -0.09 0.07 0.62 -0.75 4.49 4.34 3hyoA1 SER 41 HB2 -0.10 0.05 0.11 -0.04 3.95 3.97 3hyoA1 SER 41 HB3 -0.07 0.05 0.23 -0.04 3.93 4.10 3hyoA1 THR 42 H -0.14 0.24 0.05 -0.55 8.28 7.88 3hyoA1 THR 42 HA -0.37 0.22 0.71 -0.75 4.39 4.20 3hyoA1 THR 42 HB -1.37 -0.03 0.05 -0.04 4.32 2.93 3hyoA1 THR 42 HG23 -0.48 -0.02 -0.19 -0.04 1.22 0.50 3hyoA1 HIS 43 H -0.36 0.28 0.16 -0.55 8.41 7.94 3hyoA1 HIS 43 HA -0.07 0.11 0.63 -0.75 4.63 4.55 3hyoA1 HIS 43 HB2 -0.04 -0.11 0.15 -0.04 3.26 3.21 3hyoA1 HIS 43 HB3 -0.02 0.01 0.08 -0.04 3.20 3.21 3hyoA1 HIS 43 HD2 0.07 -0.07 0.02 -0.04 6.97 6.94 3hyoA1 HIS 43 HE1 0.05 0.40 0.06 -0.04 7.75 8.21 3hyoA1 THR 44 H 0.10 0.09 0.10 -0.55 8.28 8.02 3hyoA1 THR 44 HA 0.05 0.24 0.35 -0.75 4.39 4.28 3hyoA1 THR 44 HB -0.06 0.03 0.13 -0.04 4.32 4.39 3hyoA1 THR 44 HG23 -0.09 0.01 -0.02 -0.04 1.22 1.09 3hyoA1 SER 45 H 0.66 0.07 -0.41 -0.55 8.46 8.23 3hyoA1 SER 45 HA 0.05 0.27 1.08 -0.75 4.49 5.13 3hyoA1 SER 45 HB2 0.08 0.05 0.16 -0.04 3.95 4.20 3hyoA1 SER 45 HB3 0.01 0.07 0.01 -0.04 3.93 3.98 3hyoA1 GLY 46 H 0.02 0.18 -0.01 -0.55 8.43 8.08 3hyoA1 GLY 46 HA2 -0.08 0.03 0.25 -0.51 4.01 3.70 3hyoA1 GLY 46 HA3 -0.18 0.23 0.64 -0.51 4.01 4.18 3hyoA1 TYR 47 H 0.10 0.15 -0.15 -0.55 8.29 7.84 3hyoA1 TYR 47 HA -0.05 0.26 0.98 -0.75 4.56 5.00 3hyoA1 TYR 47 HB2 -0.09 0.13 -0.10 -0.04 3.06 2.96 3hyoA1 TYR 47 HB3 -0.07 -0.00 0.07 -0.04 2.98 2.94 3hyoA1 TYR 47 HD2 -0.17 0.08 -0.15 -0.04 7.15 6.87 3hyoA1 TYR 47 HE2 -0.69 -0.02 -0.12 -0.04 6.85 5.98 3hyoA1 GLY 48 H 0.03 -0.10 -0.18 -0.55 8.43 7.63 3hyoA1 GLY 48 HA2 0.01 -0.01 0.27 -0.51 4.01 3.78 3hyoA1 GLY 48 HA3 0.02 0.18 0.59 -0.51 4.01 4.29 3hyoA1 THR 49 H 0.00 0.09 0.09 -0.55 8.28 7.92 3hyoA1 THR 49 HA -0.00 0.05 0.25 -0.75 4.39 3.93 3hyoA1 THR 49 HB -0.01 -0.01 0.15 -0.04 4.32 4.41 3hyoA1 THR 49 HG23 -0.02 0.04 -0.05 -0.04 1.22 1.15 3hyoA1 PRO 50 HA -0.04 0.12 0.57 -0.51 4.44 4.59 3hyoA1 PRO 50 HB2 -0.05 -0.05 -0.06 -0.04 2.28 2.08 3hyoA1 PRO 50 HB3 -0.06 0.02 0.08 -0.04 2.02 2.01 3hyoA1 PRO 50 HG2 -0.03 -0.05 -0.04 -0.04 2.03 1.87 3hyoA1 PRO 50 HG3 -0.01 0.10 -0.18 -0.04 2.03 1.89 3hyoA1 PRO 50 HD2 -0.02 0.02 0.16 -0.04 3.68 3.80 3hyoA1 PRO 50 HD3 -0.00 0.20 0.15 -0.04 3.65 3.96 3hyoA1 ALA 51 H -0.05 0.06 0.23 -0.55 8.40 8.10 3hyoA1 ALA 51 HA -0.03 0.16 0.76 -0.75 4.34 4.48 3hyoA1 ALA 51 HB3 -0.04 0.02 0.12 -0.04 1.41 1.47 3hyoA1 VAL 52 H -0.03 0.24 0.20 -0.55 8.24 8.10 3hyoA1 VAL 52 HA -0.03 0.34 1.19 -0.75 4.13 4.87 3hyoA1 VAL 52 HB -0.01 -0.01 0.01 -0.04 2.12 2.06 3hyoA1 VAL 52 HG13 0.00 -0.01 -0.21 -0.04 0.97 0.71 3hyoA1 VAL 52 HG23 -0.03 0.02 -0.29 -0.04 0.95 0.61 3hyoA1 VAL 53 H -0.03 0.68 0.37 -0.55 8.24 8.71 3hyoA1 VAL 53 HA -0.04 0.15 0.85 -0.75 4.13 4.33 3hyoA1 VAL 53 HB -0.07 -0.09 0.12 -0.04 2.12 2.03 3hyoA1 VAL 53 HG13 -0.10 0.02 -0.17 -0.04 0.97 0.69 3hyoA1 VAL 53 HG23 -0.08 0.03 -0.04 -0.04 0.95 0.82 3hyoA1 ASP 54 H -0.01 0.21 0.16 -0.55 8.40 8.22 3hyoA1 ASP 54 HA 0.03 0.10 0.75 -0.75 4.63 4.75 3hyoA1 ASP 54 HB2 0.01 0.08 0.12 -0.04 2.71 2.88 3hyoA1 ASP 54 HB3 0.01 0.04 0.23 -0.04 2.70 2.94 3hyoA1 LEU 55 H 0.06 0.30 0.17 -0.55 8.37 8.36 3hyoA1 LEU 55 HA 0.11 0.19 0.72 -0.75 4.35 4.61 3hyoA1 LEU 55 HB2 0.16 0.22 -0.08 -0.04 1.64 1.90 3hyoA1 LEU 55 HB3 0.41 -0.02 0.10 -0.04 1.64 2.09 3hyoA1 LEU 55 HG 0.01 0.03 -0.31 -0.04 1.64 1.33 3hyoA1 LEU 55 HD13 0.08 0.01 -0.40 -0.04 0.93 0.57 3hyoA1 LEU 55 HD23 -0.23 0.02 -0.17 -0.04 0.89 0.48 3hyoA1 SER 56 H 0.06 0.11 -0.28 -0.55 8.46 7.81 3hyoA1 SER 56 HA 0.04 0.10 0.29 -0.75 4.49 4.18 3hyoA1 SER 56 HB2 0.04 0.01 0.03 -0.04 3.95 3.99 3hyoA1 SER 56 HB3 0.05 -0.02 0.08 -0.04 3.93 4.00 3hyoA1 THR 57 H 0.06 0.09 -0.22 -0.55 8.28 7.66 3hyoA1 THR 57 HA 0.02 0.20 0.75 -0.75 4.39 4.60 3hyoA1 THR 57 HB 0.03 0.05 0.10 -0.04 4.32 4.46 3hyoA1 THR 57 HG23 0.02 -0.01 -0.03 -0.04 1.22 1.16 3hyoA1 TRP 58 H 0.18 0.12 -0.39 -0.55 7.97 7.34 3hyoA1 TRP 58 HA -0.11 0.16 0.73 -0.75 4.62 4.64 3hyoA1 TRP 58 HB2 -0.08 -0.02 0.03 -0.04 3.23 3.12 3hyoA1 TRP 58 HB3 -0.11 0.05 0.13 -0.04 3.23 3.26 3hyoA1 TRP 58 HD1 -0.10 0.00 0.01 -0.04 7.22 7.10 3hyoA1 TRP 58 HE1 -0.08 0.03 -0.04 -0.04 10.20 10.07 3hyoA1 TRP 58 HE3 -0.13 -0.01 -0.04 -0.04 7.59 7.37 3hyoA1 TRP 58 HZ2 -0.04 0.03 -0.03 -0.04 7.44 7.35 3hyoA1 TRP 58 HZ3 -0.09 0.22 0.02 -0.04 7.13 7.23 3hyoA1 TRP 58 HH2 -0.04 0.06 0.02 -0.04 7.19 7.18 3hyoA1 LEU 59 H -0.07 0.47 0.06 -0.55 8.37 8.28 3hyoA1 LEU 59 HA -1.10 0.04 0.31 -0.75 4.35 2.84 3hyoA1 LEU 59 HB2 -0.18 0.06 0.13 -0.04 1.64 1.60 3hyoA1 LEU 59 HB3 -0.45 0.01 -0.07 -0.04 1.64 1.09 3hyoA1 LEU 59 HG -0.92 -0.02 0.01 -0.04 1.64 0.68 3hyoA1 LEU 59 HD13 -0.07 0.03 0.02 -0.04 0.93 0.86 3hyoA1 LEU 59 HD23 -0.04 -0.00 -0.04 -0.04 0.89 0.76 3hyoA1 PRO 60 HA -0.08 0.07 0.42 -0.51 4.44 4.34 3hyoA1 PRO 60 HB2 -0.07 0.07 -0.05 -0.04 2.28 2.18 3hyoA1 PRO 60 HB3 -0.02 0.03 0.05 -0.04 2.02 2.04 3hyoA1 PRO 60 HG2 -0.03 0.04 0.05 -0.04 2.03 2.06 3hyoA1 PRO 60 HG3 -0.02 -0.00 0.04 -0.04 2.03 2.00 3hyoA1 PRO 60 HD2 -0.11 -0.01 -0.81 -0.04 3.68 2.71 3hyoA1 PRO 60 HD3 -0.11 0.11 -0.03 -0.04 3.65 3.58 3hyoA1 GLN 61 H -0.28 0.30 -0.38 -0.55 8.47 7.56 3hyoA1 GLN 61 HA -0.15 0.03 0.42 -0.75 4.36 3.90 3hyoA1 GLN 61 HB2 -0.28 0.19 0.16 -0.04 2.15 2.18 3hyoA1 GLN 61 HB3 -0.13 -0.04 0.02 -0.04 2.02 1.83 3hyoA1 GLN 61 HG2 -0.05 -0.05 0.02 -0.04 2.40 2.28 3hyoA1 GLN 61 HG3 -0.07 0.15 0.11 -0.04 2.39 2.53 3hyoA1 GLN 61 HE21 0.05 -0.04 -0.00 -0.04 6.97 6.94 3hyoA1 GLN 61 HE22 -0.01 -0.00 0.00 -0.04 7.69 7.64 3hyoA1 VAL 62 H -0.90 0.48 -0.08 -0.55 8.24 7.20 3hyoA1 VAL 62 HA -0.79 0.01 0.48 -0.75 4.13 3.08 3hyoA1 VAL 62 HB -1.63 0.11 0.17 -0.04 2.12 0.73 3hyoA1 VAL 62 HG13 -1.96 -0.00 -0.15 -0.04 0.97 -1.18 3hyoA1 VAL 62 HG23 -2.22 0.03 -0.05 -0.04 0.95 -1.33 3hyoA1 PHE 63 H -0.97 0.58 -0.06 -0.55 8.34 7.34 3hyoA1 PHE 63 HA -0.69 0.03 0.34 -0.75 4.62 3.55 3hyoA1 PHE 63 HB2 -0.24 0.05 0.11 -0.04 3.15 3.02 3hyoA1 PHE 63 HB3 -0.17 0.02 0.01 -0.04 3.06 2.88 3hyoA1 PHE 63 HD2 -0.72 -0.02 -0.11 -0.04 7.28 6.39 3hyoA1 PHE 63 HE2 -0.26 -0.04 -0.19 -0.04 7.38 6.85 3hyoA1 PHE 63 HZ -0.16 -0.03 -0.08 -0.04 7.32 7.01 3hyoA1 ALA 64 H -0.09 0.54 -0.16 -0.55 8.40 8.15 3hyoA1 ALA 64 HA 0.10 0.03 0.42 -0.75 4.34 4.13 3hyoA1 ALA 64 HB3 0.00 0.00 0.09 -0.04 1.41 1.47 3hyoA1 HIS 65 H -0.04 0.52 -0.24 -0.55 8.41 8.11 3hyoA1 HIS 65 HA 0.04 -0.00 0.49 -0.75 4.63 4.40 3hyoA1 HIS 65 HB2 -0.07 -0.01 0.12 -0.04 3.26 3.26 3hyoA1 HIS 65 HB3 -0.17 0.11 0.20 -0.04 3.20 3.30 3hyoA1 HIS 65 HD2 0.09 -0.03 0.04 -0.04 6.97 7.02 3hyoA1 HIS 65 HE1 0.14 -0.02 -0.04 -0.04 7.75 7.79 3hyoA1 TRP 66 H 0.01 0.69 0.04 -0.55 7.97 8.16 3hyoA1 TRP 66 HA -0.15 -0.02 0.36 -0.75 4.62 4.05 3hyoA1 TRP 66 HB2 0.13 0.08 0.11 -0.04 3.23 3.52 3hyoA1 TRP 66 HB3 0.20 0.01 -0.03 -0.04 3.23 3.36 3hyoA1 TRP 66 HD1 -0.25 -0.05 -0.07 -0.04 7.22 6.80 3hyoA1 TRP 66 HE1 0.01 -0.04 -0.05 -0.04 10.20 10.08 3hyoA1 TRP 66 HE3 0.15 0.05 -0.11 -0.04 7.59 7.64 3hyoA1 TRP 66 HZ2 -0.00 -0.03 -0.11 -0.04 7.44 7.26 3hyoA1 TRP 66 HZ3 -0.08 0.01 -0.12 -0.04 7.13 6.90 3hyoA1 TRP 66 HH2 -0.11 -0.02 -0.15 -0.04 7.19 6.86 3hyoA1 THR 67 H 0.32 0.60 -0.25 -0.55 8.28 8.40 3hyoA1 THR 67 HA 0.22 0.08 0.42 -0.75 4.39 4.35 3hyoA1 THR 67 HB 0.18 0.08 0.18 -0.04 4.32 4.71 3hyoA1 THR 67 HG23 0.10 -0.02 -0.08 -0.04 1.22 1.18 3hyoA1 ARG 68 H 0.15 0.49 -0.08 -0.55 8.46 8.48 3hyoA1 ARG 68 HA 0.08 0.03 0.43 -0.75 4.34 4.13 3hyoA1 ARG 68 HB2 0.08 -0.09 0.13 -0.04 1.90 1.98 3hyoA1 ARG 68 HB3 0.11 0.10 0.19 -0.04 1.80 2.16 3hyoA1 ARG 68 HG2 0.27 0.12 0.14 -0.04 1.67 2.16 3hyoA1 ARG 68 HG3 0.16 -0.02 -0.18 -0.04 1.67 1.58 3hyoA1 ARG 68 HD2 0.10 -0.06 -0.01 -0.04 3.22 3.21 3hyoA1 ARG 68 HD3 0.08 -0.05 0.00 -0.04 3.22 3.21 3hyoA1 ALA 69 H 0.11 0.51 -0.25 -0.55 8.40 8.22 3hyoA1 ALA 69 HA 0.06 0.02 0.50 -0.75 4.34 4.17 3hyoA1 ALA 69 HB3 -0.03 -0.03 0.05 -0.04 1.41 1.35 3hyoA1 GLN 70 H 0.06 0.37 -0.53 -0.55 8.47 7.83 3hyoA1 GLN 70 HA 0.03 0.10 0.30 -0.75 4.36 4.03 3hyoA1 GLN 70 HB2 -0.01 0.10 -0.03 -0.04 2.15 2.17 3hyoA1 GLN 70 HB3 -0.01 -0.08 0.14 -0.04 2.02 2.02 3hyoA1 GLN 70 HG2 0.02 0.06 0.00 -0.04 2.40 2.44 3hyoA1 GLN 70 HG3 0.03 0.12 -0.28 -0.04 2.39 2.22 3hyoA1 GLN 70 HE21 0.00 -0.09 -0.01 -0.04 6.97 6.83 3hyoA1 GLN 70 HE22 0.00 0.06 -0.06 -0.04 7.69 7.66 3hyoA1 LEU 71 H 0.01 0.43 -0.05 -0.55 8.37 8.21 3hyoA1 LEU 71 HA -0.20 0.09 0.70 -0.75 4.35 4.18 3hyoA1 LEU 71 HB2 -0.21 -0.07 0.02 -0.04 1.64 1.34 3hyoA1 LEU 71 HB3 -0.64 0.00 -0.01 -0.04 1.64 0.95 3hyoA1 LEU 71 HG -0.11 0.02 -0.12 -0.04 1.64 1.39 3hyoA1 LEU 71 HD13 -0.38 -0.04 -0.03 -0.04 0.93 0.44 3hyoA1 LEU 71 HD23 -0.17 0.03 -0.09 -0.04 0.89 0.62 3hyoA1 HIS 72 H -0.29 0.24 0.19 -0.55 8.41 8.00 3hyoA1 HIS 72 HA -0.20 0.14 0.65 -0.75 4.63 4.47 3hyoA1 HIS 72 HB2 -0.11 0.05 -0.08 -0.04 3.26 3.08 3hyoA1 HIS 72 HB3 -0.14 -0.03 0.02 -0.04 3.20 3.00 3hyoA1 HIS 72 HD2 -0.06 0.06 0.12 -0.04 6.97 7.03 3hyoA1 HIS 72 HE1 -0.02 0.21 0.19 -0.04 7.75 8.09 3hyoA1 PHE 73 H -0.52 0.19 0.08 -0.55 8.34 7.54 3hyoA1 PHE 73 HA -0.18 0.13 0.94 -0.75 4.62 4.75 3hyoA1 PHE 73 HB2 -0.15 -0.03 -0.02 -0.04 3.15 2.91 3hyoA1 PHE 73 HB3 -0.12 0.23 -0.06 -0.04 3.06 3.07 3hyoA1 PHE 73 HD2 -0.03 0.03 -0.14 -0.04 7.28 7.11 3hyoA1 PHE 73 HE2 -0.23 -0.03 -0.11 -0.04 7.38 6.97 3hyoA1 PHE 73 HZ -1.69 -0.06 -0.10 -0.04 7.32 5.43 3hyoA1 ASP 74 H 0.04 0.20 0.25 -0.55 8.40 8.34 3hyoA1 ASP 74 HA -0.03 0.07 0.68 -0.75 4.63 4.59 3hyoA1 ASP 74 HB2 0.08 0.27 0.31 -0.04 2.71 3.33 3hyoA1 ASP 74 HB3 0.05 -0.01 0.12 -0.04 2.70 2.83 3hyoA1 GLN 75 H 0.04 0.45 0.36 -0.55 8.47 8.77 3hyoA1 GLN 75 HA -0.00 0.19 1.00 -0.75 4.36 4.79 3hyoA1 GLN 75 HB2 -0.03 0.05 -0.06 -0.04 2.15 2.07 3hyoA1 GLN 75 HB3 -0.05 -0.03 -0.03 -0.04 2.02 1.87 3hyoA1 GLN 75 HG2 0.04 0.00 -0.09 -0.04 2.40 2.32 3hyoA1 GLN 75 HG3 0.04 0.02 -0.38 -0.04 2.39 2.03 3hyoA1 GLN 75 HE21 0.18 0.02 0.02 -0.04 6.97 7.15 3hyoA1 GLN 75 HE22 0.11 0.04 0.00 -0.04 7.69 7.79 3hyoA1 ALA 76 H -0.03 0.51 0.33 -0.55 8.40 8.67 3hyoA1 ALA 76 HA -0.07 0.43 0.81 -0.75 4.34 4.76 3hyoA1 ALA 76 HB3 -0.03 -0.02 0.01 -0.04 1.41 1.32 3hyoA1 LEU 77 H -0.05 0.86 0.38 -0.55 8.37 9.02 3hyoA1 LEU 77 HA -0.02 0.25 0.94 -0.75 4.35 4.77 3hyoA1 LEU 77 HB2 -0.05 0.04 -0.02 -0.04 1.64 1.57 3hyoA1 LEU 77 HB3 -0.03 0.02 0.16 -0.04 1.64 1.74 3hyoA1 LEU 77 HG 0.01 -0.13 -0.42 -0.04 1.64 1.06 3hyoA1 LEU 77 HD13 0.01 0.03 -0.17 -0.04 0.93 0.75 3hyoA1 LEU 77 HD23 -0.01 -0.00 -0.22 -0.04 0.89 0.61 3hyoA1 ILE 78 H 0.01 0.71 0.33 -0.55 8.25 8.75 3hyoA1 ILE 78 HA 0.04 0.16 1.09 -0.75 4.18 4.72 3hyoA1 ILE 78 HB 0.02 -0.07 0.17 -0.04 1.89 1.96 3hyoA1 ILE 78 HG12 0.01 0.05 -0.14 -0.04 1.49 1.36 3hyoA1 ILE 78 HG13 0.01 0.02 -0.08 -0.04 1.21 1.12 3hyoA1 ILE 78 HG23 0.04 0.03 -0.04 -0.04 0.93 0.93 3hyoA1 ILE 78 HD13 0.04 0.02 -0.20 -0.04 0.88 0.70 3hyoA1 GLY 79 H 0.07 0.68 0.23 -0.55 8.43 8.87 3hyoA1 GLY 79 HA2 0.09 0.14 0.89 -0.51 4.01 4.62 3hyoA1 GLY 79 HA3 0.11 -0.15 0.43 -0.51 4.01 3.89 3hyoA1 TYR 80 H 0.25 -0.02 0.20 -0.55 8.29 8.17 3hyoA1 TYR 80 HA 0.17 0.06 0.42 -0.75 4.56 4.46 3hyoA1 TYR 80 HB2 0.11 -0.01 0.14 -0.04 3.06 3.26 3hyoA1 TYR 80 HB3 0.08 -0.16 0.21 -0.04 2.98 3.07 3hyoA1 TYR 80 HD2 0.16 -0.06 -0.14 -0.04 7.15 7.07 3hyoA1 TYR 80 HE2 0.05 0.05 -0.15 -0.04 6.85 6.76 3hyoA1 VAL 81 H -0.23 0.08 0.19 -0.55 8.24 7.74 3hyoA1 VAL 81 HA -0.01 0.20 0.80 -0.75 4.13 4.36 3hyoA1 VAL 81 HB 0.06 -0.09 0.17 -0.04 2.12 2.22 3hyoA1 VAL 81 HG13 0.05 -0.04 -0.20 -0.04 0.97 0.74 3hyoA1 VAL 81 HG23 0.02 0.09 -0.06 -0.04 0.95 0.96 3hyoA1 GLY 82 H -0.02 0.16 0.13 -0.55 8.43 8.15 3hyoA1 GLY 82 HA2 -0.20 0.03 0.26 -0.51 4.01 3.58 3hyoA1 GLY 82 HA3 -0.17 0.21 0.54 -0.51 4.01 4.08 3hyoA1 SER 83 H 0.15 0.21 -0.06 -0.55 8.46 8.22 3hyoA1 SER 83 HA 0.15 0.22 0.64 -0.75 4.49 4.75 3hyoA1 SER 83 HB2 0.09 -0.01 0.18 -0.04 3.95 4.17 3hyoA1 SER 83 HB3 0.08 0.16 -0.15 -0.04 3.93 3.98 3hyoA1 VAL 84 H 0.17 0.22 0.16 -0.55 8.24 8.23 3hyoA1 VAL 84 HA 0.05 0.15 0.48 -0.75 4.13 4.06 3hyoA1 VAL 84 HB 0.07 -0.04 0.15 -0.04 2.12 2.26 3hyoA1 VAL 84 HG13 0.01 0.04 -0.09 -0.04 0.97 0.89 3hyoA1 VAL 84 HG23 0.11 0.04 -0.08 -0.04 0.95 0.98 3hyoA1 ALA 85 H 0.07 0.07 -0.04 -0.55 8.40 7.95 3hyoA1 ALA 85 HA 0.03 0.14 0.34 -0.75 4.34 4.09 3hyoA1 ALA 85 HB3 0.04 0.02 0.07 -0.04 1.41 1.50 3hyoA1 LEU 86 H 0.07 -0.00 -0.27 -0.55 8.37 7.61 3hyoA1 LEU 86 HA 0.06 0.12 0.43 -0.75 4.35 4.20 3hyoA1 LEU 86 HB2 0.07 -0.07 0.01 -0.04 1.64 1.61 3hyoA1 LEU 86 HB3 0.06 0.08 -0.03 -0.04 1.64 1.72 3hyoA1 LEU 86 HG 0.05 -0.13 -0.00 -0.04 1.64 1.52 3hyoA1 LEU 86 HD13 0.06 0.00 -0.04 -0.04 0.93 0.91 3hyoA1 LEU 86 HD23 0.02 0.01 0.00 -0.04 0.89 0.88 3hyoA1 CYS 87 H 0.04 0.38 -0.19 -0.55 8.50 8.18 3hyoA1 CYS 87 HA -0.01 0.04 0.50 -0.75 4.58 4.36 3hyoA1 CYS 87 HB2 -0.07 0.08 0.29 -0.04 2.97 3.23 3hyoA1 CYS 87 HB3 -0.12 0.10 0.06 -0.04 2.97 2.97 3hyoA1 GLN 88 H 0.00 0.47 -0.08 -0.55 8.47 8.31 3hyoA1 GLN 88 HA -0.02 0.07 0.36 -0.75 4.36 4.01 3hyoA1 GLN 88 HB2 0.02 0.07 0.18 -0.04 2.15 2.37 3hyoA1 GLN 88 HB3 0.00 -0.01 0.04 -0.04 2.02 2.01 3hyoA1 GLN 88 HG2 -0.02 0.02 0.04 -0.04 2.40 2.39 3hyoA1 GLN 88 HG3 -0.01 0.26 0.14 -0.04 2.39 2.75 3hyoA1 GLN 88 HE21 0.00 -0.04 -0.03 -0.04 6.97 6.86 3hyoA1 GLN 88 HE22 -0.01 0.05 -0.02 -0.04 7.69 7.66 3hyoA1 GLN 89 H 0.05 0.51 -0.07 -0.55 8.47 8.42 3hyoA1 GLN 89 HA 0.06 0.03 0.43 -0.75 4.36 4.13 3hyoA1 GLN 89 HB2 0.13 0.02 0.15 -0.04 2.15 2.41 3hyoA1 GLN 89 HB3 0.26 -0.02 -0.06 -0.04 2.02 2.16 3hyoA1 GLN 89 HG2 0.05 0.02 0.05 -0.04 2.40 2.49 3hyoA1 GLN 89 HG3 0.05 -0.05 -0.03 -0.04 2.39 2.32 3hyoA1 GLN 89 HE21 0.03 0.01 -0.00 -0.04 6.97 6.97 3hyoA1 GLN 89 HE22 0.03 -0.03 -0.01 -0.04 7.69 7.64 3hyoA1 ILE 90 H 0.09 0.58 -0.13 -0.55 8.25 8.24 3hyoA1 ILE 90 HA -0.19 0.00 0.44 -0.75 4.18 3.68 3hyoA1 ILE 90 HB 0.04 0.08 0.16 -0.04 1.89 2.13 3hyoA1 ILE 90 HG12 0.31 -0.02 -0.01 -0.04 1.49 1.74 3hyoA1 ILE 90 HG13 0.24 -0.00 0.06 -0.04 1.21 1.47 3hyoA1 ILE 90 HG23 0.02 -0.00 -0.13 -0.04 0.93 0.77 3hyoA1 ILE 90 HD13 0.10 -0.03 -0.07 -0.04 0.88 0.83 3hyoA1 THR 91 H -0.02 0.56 -0.14 -0.55 8.28 8.13 3hyoA1 THR 91 HA -0.04 0.04 0.36 -0.75 4.39 3.99 3hyoA1 THR 91 HB -0.03 0.04 0.14 -0.04 4.32 4.43 3hyoA1 THR 91 HG23 -0.03 0.00 -0.13 -0.04 1.22 1.01 3hyoA1 THR 92 H -0.02 0.49 -0.10 -0.55 8.28 8.10 3hyoA1 THR 92 HA -0.04 0.06 0.37 -0.75 4.39 4.04 3hyoA1 THR 92 HB -0.01 -0.03 0.05 -0.04 4.32 4.30 3hyoA1 THR 92 HG23 -0.01 0.04 0.04 -0.04 1.22 1.25 3hyoA1 TYR 93 H -0.08 0.46 -0.17 -0.55 8.29 7.94 3hyoA1 TYR 93 HA -0.16 0.02 0.45 -0.75 4.56 4.12 3hyoA1 TYR 93 HB2 -0.85 -0.05 0.08 -0.04 3.06 2.20 3hyoA1 TYR 93 HB3 -0.88 0.06 0.12 -0.04 2.98 2.23 3hyoA1 TYR 93 HD2 -0.20 -0.00 -0.10 -0.04 7.15 6.81 3hyoA1 TYR 93 HE2 0.29 0.03 -0.08 -0.04 6.85 7.04 3hyoA1 LEU 94 H -0.10 0.60 -0.09 -0.55 8.37 8.24 3hyoA1 LEU 94 HA -0.18 -0.01 0.40 -0.75 4.35 3.81 3hyoA1 LEU 94 HB2 -0.06 0.13 0.12 -0.04 1.64 1.79 3hyoA1 LEU 94 HB3 -0.05 -0.02 -0.03 -0.04 1.64 1.50 3hyoA1 LEU 94 HG -0.02 0.10 0.05 -0.04 1.64 1.74 3hyoA1 LEU 94 HD13 -0.01 -0.03 -0.11 -0.04 0.93 0.74 3hyoA1 LEU 94 HD23 0.02 -0.02 -0.07 -0.04 0.89 0.78 3hyoA1 GLU 95 H -0.08 0.43 -0.20 -0.55 8.60 8.19 3hyoA1 GLU 95 HA -0.05 0.04 0.45 -0.75 4.29 3.97 3hyoA1 GLU 95 HB2 -0.05 0.12 0.08 -0.04 2.09 2.20 3hyoA1 GLU 95 HB3 -0.04 -0.07 0.01 -0.04 1.99 1.85 3hyoA1 GLU 95 HG2 -0.04 -0.04 0.02 -0.04 2.34 2.25 3hyoA1 GLU 95 HG3 -0.05 0.37 0.07 -0.04 2.34 2.69 3hyoA1 GLN 96 H -0.15 0.32 -0.32 -0.55 8.47 7.78 3hyoA1 GLN 96 HA -0.06 -0.02 0.57 -0.75 4.36 4.10 3hyoA1 GLN 96 HB2 -0.27 0.18 0.09 -0.04 2.15 2.12 3hyoA1 GLN 96 HB3 -0.08 -0.09 0.07 -0.04 2.02 1.88 3hyoA1 GLN 96 HG2 -0.03 -0.09 0.04 -0.04 2.40 2.27 3hyoA1 GLN 96 HG3 -0.07 0.23 0.11 -0.04 2.39 2.62 3hyoA1 GLN 96 HE21 0.09 -0.09 -0.07 -0.04 6.97 6.86 3hyoA1 GLN 96 HE22 0.02 -0.01 -0.08 -0.04 7.69 7.58 3hyoA1 GLN 97 H -0.16 0.34 -0.36 -0.55 8.47 7.74 3hyoA1 GLN 97 HA 0.11 0.04 0.62 -0.75 4.36 4.38 3hyoA1 GLN 97 HB2 -0.06 0.07 -0.03 -0.04 2.15 2.09 3hyoA1 GLN 97 HB3 -0.04 -0.03 -0.01 -0.04 2.02 1.90 3hyoA1 GLN 97 HG2 -0.42 0.17 0.06 -0.04 2.40 2.16 3hyoA1 GLN 97 HG3 -0.11 -0.10 -0.06 -0.04 2.39 2.08 3hyoA1 GLN 97 HE21 -0.44 -0.03 -0.11 -0.04 6.97 6.35 3hyoA1 GLN 97 HE22 -1.29 0.32 -0.04 -0.04 7.69 6.64 3hyoA1 THR 98 H 0.68 0.19 0.08 -0.55 8.28 8.68 3hyoA1 THR 98 HA 0.05 0.12 0.67 -0.75 4.39 4.47 3hyoA1 THR 98 HB 0.13 -0.04 0.20 -0.04 4.32 4.57 3hyoA1 THR 98 HG23 0.03 -0.01 -0.02 -0.04 1.22 1.18 3hyoA1 LEU 99 H 0.02 0.22 -0.11 -0.55 8.37 7.95 3hyoA1 LEU 99 HA -0.02 0.33 0.97 -0.75 4.35 4.88 3hyoA1 LEU 99 HB2 -0.01 -0.02 -0.03 -0.04 1.64 1.54 3hyoA1 LEU 99 HB3 -0.01 -0.01 -0.10 -0.04 1.64 1.48 3hyoA1 LEU 99 HG -0.03 0.03 -0.17 -0.04 1.64 1.42 3hyoA1 LEU 99 HD13 -0.02 -0.01 -0.08 -0.04 0.93 0.78 3hyoA1 LEU 99 HD23 -0.04 0.03 -0.29 -0.04 0.89 0.54 3hyoA1 SER 100 H 0.01 0.58 0.34 -0.55 8.46 8.85 3hyoA1 SER 100 HA 0.02 0.09 0.75 -0.75 4.49 4.60 3hyoA1 SER 100 HB2 0.02 -0.05 0.14 -0.04 3.95 4.02 3hyoA1 SER 100 HB3 0.03 -0.03 0.13 -0.04 3.93 4.02 3hyoA1 LEU 101 H 0.00 0.28 -0.01 -0.55 8.37 8.10 3hyoA1 LEU 101 HA 0.01 0.11 0.70 -0.75 4.35 4.41 3hyoA1 LEU 101 HB2 0.02 0.13 -0.24 -0.04 1.64 1.51 3hyoA1 LEU 101 HB3 0.01 -0.06 0.03 -0.04 1.64 1.58 3hyoA1 LEU 101 HG -0.01 -0.06 -0.30 -0.04 1.64 1.23 3hyoA1 LEU 101 HD13 0.01 -0.01 -0.06 -0.04 0.93 0.83 3hyoA1 LEU 101 HD23 -0.00 -0.01 -0.14 -0.04 0.89 0.69 3hyoA1 LEU 102 H -0.00 0.18 0.16 -0.55 8.37 8.16 3hyoA1 LEU 102 HA -0.01 0.29 0.86 -0.75 4.35 4.73 3hyoA1 LEU 102 HB2 -0.01 0.09 -0.04 -0.04 1.64 1.63 3hyoA1 LEU 102 HB3 -0.01 -0.02 0.16 -0.04 1.64 1.73 3hyoA1 LEU 102 HG -0.01 -0.12 -0.33 -0.04 1.64 1.14 3hyoA1 LEU 102 HD13 -0.01 0.03 -0.11 -0.04 0.93 0.80 3hyoA1 LEU 102 HD23 -0.02 0.02 -0.31 -0.04 0.89 0.55 3hyoA1 VAL 103 H -0.02 0.75 0.34 -0.55 8.24 8.77 3hyoA1 VAL 103 HA -0.00 0.25 1.08 -0.75 4.13 4.71 3hyoA1 VAL 103 HB -0.02 -0.03 0.16 -0.04 2.12 2.20 3hyoA1 VAL 103 HG13 -0.01 -0.02 -0.19 -0.04 0.97 0.71 3hyoA1 VAL 103 HG23 -0.02 0.00 -0.13 -0.04 0.95 0.76 3hyoA1 VAL 104 H 0.01 0.67 0.35 -0.55 8.24 8.72 3hyoA1 VAL 104 HA 0.01 0.22 1.08 -0.75 4.13 4.69 3hyoA1 VAL 104 HB 0.00 0.01 0.09 -0.04 2.12 2.18 3hyoA1 VAL 104 HG13 -0.00 -0.03 -0.31 -0.04 0.97 0.59 3hyoA1 VAL 104 HG23 -0.01 0.02 -0.22 -0.04 0.95 0.71 3hyoA1 ASP 105 H 0.04 0.78 0.26 -0.55 8.40 8.93 3hyoA1 ASP 105 HA 0.05 0.10 0.87 -0.75 4.63 4.89 3hyoA1 ASP 105 HB2 0.05 0.05 0.05 -0.04 2.71 2.81 3hyoA1 ASP 105 HB3 0.08 -0.08 0.25 -0.04 2.70 2.91 3hyoA1 PRO 106 HA 0.03 0.16 0.20 -0.51 4.44 4.31 3hyoA1 PRO 106 HB2 0.01 0.04 0.05 -0.04 2.28 2.33 3hyoA1 PRO 106 HB3 0.00 0.12 -0.07 -0.04 2.02 2.03 3hyoA1 PRO 106 HG2 0.05 -0.15 -0.01 -0.04 2.03 1.88 3hyoA1 PRO 106 HG3 0.03 0.12 -0.05 -0.04 2.03 2.08 3hyoA1 PRO 106 HD2 0.06 0.18 -0.36 -0.04 3.68 3.52 3hyoA1 PRO 106 HD3 0.04 0.26 0.07 -0.04 3.65 3.98 3hyoA1 VAL 107 H 0.15 0.50 0.12 -0.55 8.24 8.46 3hyoA1 VAL 107 HA 0.25 -0.07 0.33 -0.75 4.13 3.89 3hyoA1 VAL 107 HB 0.38 -0.03 0.12 -0.04 2.12 2.54 3hyoA1 VAL 107 HG13 0.53 -0.02 -0.10 -0.04 0.97 1.34 3hyoA1 VAL 107 HG23 0.21 0.04 -0.06 -0.04 0.95 1.10 3hyoA1 LEU 108 H 0.21 -0.11 0.29 -0.55 8.37 8.22 3hyoA1 LEU 108 HA 0.33 0.16 0.84 -0.75 4.35 4.92 3hyoA1 LEU 108 HB2 0.03 -0.06 -0.03 -0.04 1.64 1.54 3hyoA1 LEU 108 HB3 0.06 -0.05 -0.07 -0.04 1.64 1.54 3hyoA1 LEU 108 HG 0.04 0.22 -0.43 -0.04 1.64 1.43 3hyoA1 LEU 108 HD13 -0.00 0.00 -0.09 -0.04 0.93 0.80 3hyoA1 LEU 108 HD23 -0.02 0.03 -0.21 -0.04 0.89 0.65 3hyoA1 GLY 109 H -0.17 0.06 0.26 -0.55 8.43 8.03 3hyoA1 GLY 109 HA2 -1.65 0.05 0.50 -0.51 4.01 2.40 3hyoA1 GLY 109 HA3 -0.41 0.20 0.30 -0.51 4.01 3.59 3hyoA1 ASP 110 H -0.34 0.74 0.27 -0.55 8.40 8.52 3hyoA1 ASP 110 HA -0.08 -0.06 0.53 -0.75 4.63 4.27 3hyoA1 ASP 110 HB2 0.11 0.05 -0.25 -0.04 2.71 2.59 3hyoA1 ASP 110 HB3 0.08 0.08 -0.06 -0.04 2.70 2.75 3hyoA1 LEU 111 H -0.05 0.14 0.16 -0.55 8.37 8.08 3hyoA1 LEU 111 HA -0.06 0.06 0.34 -0.75 4.35 3.94 3hyoA1 LEU 111 HB2 -0.06 0.11 -0.12 -0.04 1.64 1.53 3hyoA1 LEU 111 HB3 -0.05 0.06 0.20 -0.04 1.64 1.82 3hyoA1 LEU 111 HG -0.03 -0.08 -0.09 -0.04 1.64 1.41 3hyoA1 LEU 111 HD13 -0.04 0.02 -0.00 -0.04 0.93 0.87 3hyoA1 LEU 111 HD23 0.00 0.00 0.07 -0.04 0.89 0.93 3hyoA1 GLY 112 H -0.57 -0.10 -0.47 -0.55 8.43 6.74 3hyoA1 GLY 112 HA2 -1.80 -0.04 0.19 -0.51 4.01 1.84 3hyoA1 GLY 112 HA3 -0.92 0.15 0.39 -0.51 4.01 3.13 3hyoA1 GLN 113 H -0.25 0.48 -0.18 -0.55 8.47 7.98 3hyoA1 GLN 113 HA -0.11 0.17 0.90 -0.75 4.36 4.56 3hyoA1 GLN 113 HB2 -0.09 0.01 -0.03 -0.04 2.15 1.99 3hyoA1 GLN 113 HB3 -0.05 0.10 0.02 -0.04 2.02 2.05 3hyoA1 GLN 113 HG2 -0.04 0.01 0.02 -0.04 2.40 2.34 3hyoA1 GLN 113 HG3 -0.09 0.01 -0.39 -0.04 2.39 1.88 3hyoA1 GLN 113 HE21 -0.01 -0.03 -0.01 -0.04 6.97 6.88 3hyoA1 GLN 113 HE22 -0.01 0.02 -0.02 -0.04 7.69 7.63 3hyoA1 LEU 114 H -0.04 0.13 0.12 -0.55 8.37 8.03 3hyoA1 LEU 114 HA -0.08 0.13 0.66 -0.75 4.35 4.30 3hyoA1 LEU 114 HB2 0.05 -0.05 0.14 -0.04 1.64 1.73 3hyoA1 LEU 114 HB3 0.15 0.19 0.05 -0.04 1.64 1.99 3hyoA1 LEU 114 HG 0.02 -0.06 -0.02 -0.04 1.64 1.54 3hyoA1 LEU 114 HD13 0.07 0.02 -0.07 -0.04 0.93 0.91 3hyoA1 LEU 114 HD23 0.10 0.01 -0.10 -0.04 0.89 0.86 3hyoA1 TYR 115 H -0.03 0.44 0.28 -0.55 8.29 8.44 3hyoA1 TYR 115 HA -0.03 0.03 0.52 -0.75 4.56 4.32 3hyoA1 TYR 115 HB2 -0.13 0.03 -0.01 -0.04 3.06 2.90 3hyoA1 TYR 115 HB3 -0.20 0.02 0.03 -0.04 2.98 2.79 3hyoA1 TYR 115 HD2 0.15 0.07 -0.16 -0.04 7.15 7.17 3hyoA1 TYR 115 HE2 0.08 -0.03 -0.11 -0.04 6.85 6.75 3hyoA1 GLN 116 H 0.03 0.06 0.14 -0.55 8.47 8.16 3hyoA1 GLN 116 HA -0.00 0.09 0.45 -0.75 4.36 4.14 3hyoA1 GLN 116 HB2 -0.06 -0.03 0.14 -0.04 2.15 2.16 3hyoA1 GLN 116 HB3 -0.04 0.02 0.02 -0.04 2.02 1.98 3hyoA1 GLN 116 HG2 -0.00 0.03 0.07 -0.04 2.40 2.45 3hyoA1 GLN 116 HG3 0.00 0.00 0.08 -0.04 2.39 2.44 3hyoA1 GLN 116 HE21 -0.01 0.01 0.02 -0.04 6.97 6.94 3hyoA1 GLN 116 HE22 -0.00 0.01 0.03 -0.04 7.69 7.68 3hyoA1 GLY 117 H -0.01 0.15 0.15 -0.55 8.43 8.17 3hyoA1 GLY 117 HA2 0.00 -0.01 0.34 -0.51 4.01 3.84 3hyoA1 GLY 117 HA3 -0.09 0.12 0.56 -0.51 4.01 4.09 3hyoA1 PHE 118 H 0.06 0.46 -0.41 -0.55 8.34 7.89 3hyoA1 PHE 118 HA -0.04 0.07 0.93 -0.75 4.62 4.83 3hyoA1 PHE 118 HB2 0.05 0.22 0.09 -0.04 3.15 3.47 3hyoA1 PHE 118 HB3 0.07 -0.03 -0.03 -0.04 3.06 3.03 3hyoA1 PHE 118 HD2 -0.07 0.08 -0.03 -0.04 7.28 7.21 3hyoA1 PHE 118 HE2 -0.19 0.06 -0.12 -0.04 7.38 7.09 3hyoA1 PHE 118 HZ -0.43 -0.14 -0.02 -0.04 7.32 6.69 3hyoA1 ASP 119 H 0.20 0.14 0.22 -0.55 8.40 8.41 3hyoA1 ASP 119 HA 0.10 0.32 0.90 -0.75 4.63 5.19 3hyoA1 ASP 119 HB2 0.06 -0.07 0.17 -0.04 2.71 2.83 3hyoA1 ASP 119 HB3 0.08 0.12 -0.07 -0.04 2.70 2.79 3hyoA1 GLN 120 H 0.05 0.24 0.17 -0.55 8.47 8.39 3hyoA1 GLN 120 HA 0.03 0.10 0.19 -0.75 4.36 3.93 3hyoA1 GLN 120 HB2 0.03 -0.01 0.12 -0.04 2.15 2.25 3hyoA1 GLN 120 HB3 0.02 0.11 0.08 -0.04 2.02 2.19 3hyoA1 GLN 120 HG2 0.03 -0.09 0.10 -0.04 2.40 2.41 3hyoA1 GLN 120 HG3 0.02 0.07 0.06 -0.04 2.39 2.49 3hyoA1 GLN 120 HE21 0.01 0.16 0.00 -0.04 6.97 7.11 3hyoA1 GLN 120 HE22 0.01 -0.01 0.03 -0.04 7.69 7.68 3hyoA1 ASP 121 H 0.05 0.03 -0.33 -0.55 8.40 7.60 3hyoA1 ASP 121 HA 0.02 0.15 0.57 -0.75 4.63 4.60 3hyoA1 ASP 121 HB2 0.07 -0.05 0.05 -0.04 2.71 2.74 3hyoA1 ASP 121 HB3 0.05 0.02 0.03 -0.04 2.70 2.75 3hyoA1 TYR 122 H 0.13 0.60 0.03 -0.55 8.29 8.50 3hyoA1 TYR 122 HA -0.11 -0.00 0.43 -0.75 4.56 4.13 3hyoA1 TYR 122 HB2 -0.10 -0.10 0.15 -0.04 3.06 2.97 3hyoA1 TYR 122 HB3 -0.27 0.08 0.08 -0.04 2.98 2.82 3hyoA1 TYR 122 HD2 -0.49 -0.04 -0.17 -0.04 7.15 6.40 3hyoA1 TYR 122 HE2 -0.37 0.13 -0.12 -0.04 6.85 6.45 3hyoA1 VAL 123 H 0.02 0.14 -0.18 -0.55 8.24 7.67 3hyoA1 VAL 123 HA -0.12 0.05 0.38 -0.75 4.13 3.69 3hyoA1 VAL 123 HB -0.01 0.05 0.10 -0.04 2.12 2.22 3hyoA1 VAL 123 HG13 -0.02 0.04 -0.17 -0.04 0.97 0.78 3hyoA1 VAL 123 HG23 0.02 -0.03 -0.13 -0.04 0.95 0.77 3hyoA1 ALA 124 H -0.05 0.37 -0.19 -0.55 8.40 7.98 3hyoA1 ALA 124 HA -0.06 0.11 0.36 -0.75 4.34 4.00 3hyoA1 ALA 124 HB3 -0.03 -0.01 0.09 -0.04 1.41 1.41 3hyoA1 ALA 125 H -0.15 0.26 -0.29 -0.55 8.40 7.66 3hyoA1 ALA 125 HA -0.11 0.03 0.28 -0.75 4.34 3.79 3hyoA1 ALA 125 HB3 -0.21 -0.01 0.16 -0.04 1.41 1.30 3hyoA1 ARG 127 HA -0.05 -0.08 0.29 -0.75 4.34 3.75 3hyoA1 ARG 127 HB2 -0.05 0.08 0.09 -0.04 1.90 1.97 3hyoA1 ARG 127 HB3 -0.04 -0.01 0.00 -0.04 1.80 1.71 3hyoA1 ARG 127 HG2 -0.03 -0.04 0.09 -0.04 1.67 1.64 3hyoA1 ARG 127 HG3 -0.06 0.18 0.06 -0.04 1.67 1.81 3hyoA1 ARG 127 HD2 -0.03 -0.12 -0.03 -0.04 3.22 3.01 3hyoA1 ARG 127 HD3 -0.02 0.00 0.01 -0.04 3.22 3.17 3hyoA1 GLN 128 H -0.08 0.43 -0.94 -0.55 8.47 7.33 3hyoA1 GLN 128 HA -0.04 0.08 0.58 -0.75 4.36 4.22 3hyoA1 GLN 128 HB2 -0.07 0.09 0.16 -0.04 2.15 2.29 3hyoA1 GLN 128 HB3 -0.04 -0.07 0.03 -0.04 2.02 1.90 3hyoA1 GLN 128 HG2 -0.05 0.23 0.01 -0.04 2.40 2.55 3hyoA1 GLN 128 HG3 -0.04 -0.11 -0.01 -0.04 2.39 2.19 3hyoA1 GLN 128 HE21 -0.03 -0.00 -0.08 -0.04 6.97 6.83 3hyoA1 GLN 128 HE22 -0.04 0.08 -0.09 -0.04 7.69 7.60 3hyoA1 LEU 129 H -0.09 0.53 0.28 -0.55 8.37 8.55 3hyoA1 LEU 129 HA -0.05 0.05 0.45 -0.75 4.35 4.05 3hyoA1 LEU 129 HB2 -0.08 0.01 0.09 -0.04 1.64 1.61 3hyoA1 LEU 129 HB3 -0.09 -0.00 -0.05 -0.04 1.64 1.45 3hyoA1 LEU 129 HG -0.04 0.00 -0.25 -0.04 1.64 1.31 3hyoA1 LEU 129 HD13 -0.03 0.01 -0.03 -0.04 0.93 0.84 3hyoA1 LEU 129 HD23 -0.05 -0.03 -0.05 -0.04 0.89 0.72 3hyoA1 ILE 130 H -0.05 0.19 -0.37 -0.55 8.25 7.47 3hyoA1 ILE 130 HA -0.02 0.02 0.38 -0.75 4.18 3.80 3hyoA1 ILE 130 HB -0.01 -0.02 0.01 -0.04 1.89 1.83 3hyoA1 ILE 130 HG12 -0.04 0.09 -0.01 -0.04 1.49 1.50 3hyoA1 ILE 130 HG13 -0.02 0.16 -0.27 -0.04 1.21 1.04 3hyoA1 ILE 130 HG23 -0.03 -0.03 -0.10 -0.04 0.93 0.73 3hyoA1 ILE 130 HD13 -0.02 -0.03 -0.06 -0.04 0.88 0.74 3hyoA1 GLN 131 H -0.03 0.30 -0.53 -0.55 8.47 7.65 3hyoA1 GLN 131 HA -0.02 0.19 0.28 -0.75 4.36 4.05 3hyoA1 GLN 131 HB2 -0.03 0.12 0.13 -0.04 2.15 2.33 3hyoA1 GLN 131 HB3 -0.02 -0.07 0.03 -0.04 2.02 1.92 3hyoA1 GLN 131 HG2 -0.02 0.14 0.11 -0.04 2.40 2.59 3hyoA1 GLN 131 HG3 -0.03 0.20 0.23 -0.04 2.39 2.75 3hyoA1 GLN 131 HE21 -0.02 -0.11 -0.01 -0.04 6.97 6.79 3hyoA1 GLN 131 HE22 -0.02 0.07 -0.00 -0.04 7.69 7.70 3hyoA1 GLN 132 H -0.02 0.16 -0.31 -0.55 8.47 7.75 3hyoA1 GLN 132 HA -0.02 0.21 0.98 -0.75 4.36 4.78 3hyoA1 GLN 132 HB2 -0.03 -0.01 -0.02 -0.04 2.15 2.05 3hyoA1 GLN 132 HB3 -0.02 -0.01 0.08 -0.04 2.02 2.03 3hyoA1 GLN 132 HG2 -0.02 0.02 -0.02 -0.04 2.40 2.33 3hyoA1 GLN 132 HG3 -0.03 -0.04 -0.12 -0.04 2.39 2.16 3hyoA1 GLN 132 HE21 -0.03 0.12 0.06 -0.04 6.97 7.08 3hyoA1 GLN 132 HE22 -0.02 -0.04 0.01 -0.04 7.69 7.60 3hyoA1 ALA 133 H -0.02 0.42 -0.23 -0.55 8.40 8.03 3hyoA1 ALA 133 HA -0.01 -0.02 0.36 -0.75 4.34 3.92 3hyoA1 ALA 133 HB3 -0.01 0.01 0.01 -0.04 1.41 1.38 3hyoA1 ASP 134 H -0.00 0.30 0.40 -0.55 8.40 8.55 3hyoA1 ASP 134 HA -0.01 0.12 0.76 -0.75 4.63 4.75 3hyoA1 ASP 134 HB2 0.02 -0.03 0.20 -0.04 2.71 2.85 3hyoA1 ASP 134 HB3 0.03 -0.01 0.10 -0.04 2.70 2.78 3hyoA1 VAL 135 H 0.01 0.38 0.25 -0.55 8.24 8.33 3hyoA1 VAL 135 HA 0.06 0.33 0.95 -0.75 4.13 4.72 3hyoA1 VAL 135 HB 0.00 -0.08 0.05 -0.04 2.12 2.06 3hyoA1 VAL 135 HG13 -0.02 -0.02 -0.17 -0.04 0.97 0.71 3hyoA1 VAL 135 HG23 0.05 -0.01 -0.18 -0.04 0.95 0.78 3hyoA1 ILE 136 H 0.04 0.57 0.40 -0.55 8.25 8.71 3hyoA1 ILE 136 HA 0.02 0.35 1.06 -0.75 4.18 4.85 3hyoA1 ILE 136 HB 0.02 -0.07 0.12 -0.04 1.89 1.92 3hyoA1 ILE 136 HG12 0.03 0.10 0.04 -0.04 1.49 1.63 3hyoA1 ILE 136 HG13 0.04 -0.14 0.04 -0.04 1.21 1.11 3hyoA1 ILE 136 HG23 0.01 0.01 -0.08 -0.04 0.93 0.82 3hyoA1 ILE 136 HD13 0.02 -0.00 -0.07 -0.04 0.88 0.79 3hyoA1 LEU 137 H 0.03 0.36 0.24 -0.55 8.37 8.46 3hyoA1 LEU 137 HA 0.04 0.54 1.14 -0.75 4.35 5.31 3hyoA1 LEU 137 HB2 0.03 -0.13 0.18 -0.04 1.64 1.68 3hyoA1 LEU 137 HB3 0.02 -0.03 0.06 -0.04 1.64 1.65 3hyoA1 LEU 137 HG 0.01 -0.02 -0.47 -0.04 1.64 1.11 3hyoA1 LEU 137 HD13 0.00 -0.02 -0.14 -0.04 0.93 0.74 3hyoA1 LEU 137 HD23 -0.03 0.04 -0.16 -0.04 0.89 0.69 3hyoA1 PRO 138 HA 0.06 0.01 0.63 -0.51 4.44 4.64 3hyoA1 PRO 138 HB2 0.06 0.00 -0.10 -0.04 2.28 2.20 3hyoA1 PRO 138 HB3 0.05 0.09 -0.05 -0.04 2.02 2.07 3hyoA1 PRO 138 HG2 0.06 -0.05 -0.09 -0.04 2.03 1.92 3hyoA1 PRO 138 HG3 0.05 0.09 -0.09 -0.04 2.03 2.04 3hyoA1 PRO 138 HD2 0.05 0.37 -0.12 -0.04 3.68 3.94 3hyoA1 PRO 138 HD3 0.04 0.08 -0.16 -0.04 3.65 3.56 3hyoA1 ASN 139 H 0.08 0.10 0.20 -0.55 8.53 8.36 3hyoA1 ASN 139 HA 0.08 0.06 0.88 -0.75 4.76 5.03 3hyoA1 ASN 139 HB2 0.09 -0.03 0.25 -0.04 2.88 3.15 3hyoA1 ASN 139 HB3 0.09 0.13 0.19 -0.04 2.79 3.15 3hyoA1 ASN 139 HD21 0.04 0.60 0.36 -0.04 7.03 8.00 3hyoA1 ASN 139 HD22 0.10 0.02 0.15 -0.04 7.74 7.97 3hyoA1 THR 140 H 0.10 0.20 0.13 -0.55 8.28 8.16 3hyoA1 THR 140 HA 0.10 0.13 0.37 -0.75 4.39 4.24 3hyoA1 THR 140 HB 0.16 -0.06 0.14 -0.04 4.32 4.53 3hyoA1 THR 140 HG23 0.10 0.05 -0.04 -0.04 1.22 1.29 3hyoA1 THR 141 H 0.11 0.03 -0.16 -0.55 8.28 7.71 3hyoA1 THR 141 HA 0.21 0.17 0.43 -0.75 4.39 4.45 3hyoA1 THR 141 HB -0.07 0.07 -0.26 -0.04 4.32 4.02 3hyoA1 THR 141 HG23 -0.19 0.07 -0.41 -0.04 1.22 0.64 3hyoA1 GLU 142 H 0.05 0.01 -0.30 -0.55 8.60 7.81 3hyoA1 GLU 142 HA 0.02 0.07 0.30 -0.75 4.29 3.92 3hyoA1 GLU 142 HB2 0.05 -0.07 0.17 -0.04 2.09 2.21 3hyoA1 GLU 142 HB3 0.04 0.20 0.05 -0.04 1.99 2.24 3hyoA1 GLU 142 HG2 0.04 0.07 0.13 -0.04 2.34 2.53 3hyoA1 GLU 142 HG3 -0.00 -0.06 0.03 -0.04 2.34 2.27 3hyoA1 ALA 143 H 0.07 0.47 -0.20 -0.55 8.40 8.19 3hyoA1 ALA 143 HA 0.04 0.10 0.37 -0.75 4.34 4.10 3hyoA1 ALA 143 HB3 0.06 0.03 -0.05 -0.04 1.41 1.40 3hyoA1 ALA 144 H 0.09 0.30 -0.30 -0.55 8.40 7.94 3hyoA1 ALA 144 HA 0.05 -0.01 0.33 -0.75 4.34 3.95 3hyoA1 ALA 144 HB3 0.12 0.08 -0.05 -0.04 1.41 1.52 3hyoA1 LEU 145 H 0.05 0.41 -0.19 -0.55 8.37 8.10 3hyoA1 LEU 145 HA 0.03 0.04 0.31 -0.75 4.35 3.97 3hyoA1 LEU 145 HB2 0.01 0.04 0.04 -0.04 1.64 1.69 3hyoA1 LEU 145 HB3 0.01 -0.03 -0.09 -0.04 1.64 1.49 3hyoA1 LEU 145 HG 0.01 0.08 -0.08 -0.04 1.64 1.61 3hyoA1 LEU 145 HD13 -0.03 -0.05 -0.32 -0.04 0.93 0.49 3hyoA1 LEU 145 HD23 0.01 -0.01 -0.09 -0.04 0.89 0.76 3hyoA1 LEU 146 H 0.02 0.49 -0.24 -0.55 8.37 8.10 3hyoA1 LEU 146 HA -0.01 0.06 0.37 -0.75 4.35 4.02 3hyoA1 LEU 146 HB2 0.01 0.04 0.13 -0.04 1.64 1.78 3hyoA1 LEU 146 HB3 -0.00 0.04 -0.00 -0.04 1.64 1.63 3hyoA1 LEU 146 HG 0.00 0.04 0.04 -0.04 1.64 1.68 3hyoA1 LEU 146 HD13 0.01 -0.04 -0.07 -0.04 0.93 0.79 3hyoA1 LEU 146 HD23 -0.04 -0.00 -0.00 -0.04 0.89 0.81 3hyoA1 THR 147 H 0.02 0.40 -0.16 -0.55 8.28 7.99 3hyoA1 THR 147 HA 0.01 0.16 0.46 -0.75 4.39 4.27 3hyoA1 THR 147 HB 0.01 -0.04 0.01 -0.04 4.32 4.27 3hyoA1 THR 147 HG23 0.02 0.04 -0.15 -0.04 1.22 1.10 3hyoA1 GLY 148 H 0.02 0.32 -0.45 -0.55 8.43 7.77 3hyoA1 GLY 148 HA2 0.02 -0.01 0.23 -0.51 4.01 3.74 3hyoA1 GLY 148 HA3 0.01 0.06 0.55 -0.51 4.01 4.13 3hyoA1 ALA 149 H 0.02 0.09 -0.20 -0.55 8.40 7.76 3hyoA1 ALA 149 HA 0.02 0.12 0.56 -0.75 4.34 4.28 3hyoA1 ALA 149 HB3 0.02 -0.02 -0.01 -0.04 1.41 1.36 3hyoA1 PRO 150 HA 0.06 0.00 0.49 -0.51 4.44 4.48 3hyoA1 PRO 150 HB2 0.01 0.00 -0.04 -0.04 2.28 2.21 3hyoA1 PRO 150 HB3 0.03 0.01 0.07 -0.04 2.02 2.08 3hyoA1 PRO 150 HG2 0.01 0.00 0.06 -0.04 2.03 2.07 3hyoA1 PRO 150 HG3 0.02 0.05 0.07 -0.04 2.03 2.13 3hyoA1 PRO 150 HD2 0.01 0.03 0.18 -0.04 3.68 3.86 3hyoA1 PRO 150 HD3 0.02 0.26 0.20 -0.04 3.65 4.08 3hyoA1 TYR 151 H 0.17 0.09 0.11 -0.55 8.29 8.10 3hyoA1 TYR 151 HA 0.01 0.04 0.37 -0.75 4.56 4.22 3hyoA1 TYR 151 HB2 0.00 0.05 0.09 -0.04 3.06 3.15 3hyoA1 TYR 151 HB3 0.00 0.02 0.11 -0.04 2.98 3.07 3hyoA1 TYR 151 HD2 0.00 0.06 -0.11 -0.04 7.15 7.07 3hyoA1 TYR 151 HE2 0.01 -0.04 -0.25 -0.04 6.85 6.53 3hyoA1 GLN 152 H -0.41 0.23 0.12 -0.55 8.47 7.87 3hyoA1 GLN 152 HA -0.38 0.15 0.60 -0.75 4.36 3.98 3hyoA1 GLN 152 HB2 -0.16 -0.03 -0.05 -0.04 2.15 1.88 3hyoA1 GLN 152 HB3 -0.17 -0.08 -0.32 -0.04 2.02 1.41 3hyoA1 GLN 152 HG2 -0.10 0.01 -0.03 -0.04 2.40 2.24 3hyoA1 GLN 152 HG3 -0.09 0.19 -0.36 -0.04 2.39 2.09 3hyoA1 GLN 152 HE21 -0.03 -0.05 -0.01 -0.04 6.97 6.84 3hyoA1 GLN 152 HE22 -0.03 0.11 -0.08 -0.04 7.69 7.65 3hyoA1 VAL 153 H -0.32 0.19 0.02 -0.55 8.24 7.58 3hyoA1 VAL 153 HA -0.20 0.01 0.42 -0.75 4.13 3.61 3hyoA1 VAL 153 HB -0.06 0.03 0.04 -0.04 2.12 2.08 3hyoA1 VAL 153 HG13 0.04 0.00 0.02 -0.04 0.97 0.99 3hyoA1 VAL 153 HG23 -0.01 0.01 0.02 -0.04 0.95 0.92 3hyoA1 THR 154 H -0.13 0.05 -0.30 -0.55 8.28 7.36 3hyoA1 THR 154 HA -0.04 0.20 0.76 -0.75 4.39 4.55 3hyoA1 THR 154 HB -0.05 -0.04 0.12 -0.04 4.32 4.31 3hyoA1 THR 154 HG23 -0.03 0.01 -0.01 -0.04 1.22 1.15 3hyoA1 PRO 155 HA -0.05 0.09 0.51 -0.51 4.44 4.47 3hyoA1 PRO 155 HB2 -0.01 0.01 -0.12 -0.04 2.28 2.11 3hyoA1 PRO 155 HB3 -0.04 0.07 0.04 -0.04 2.02 2.04 3hyoA1 PRO 155 HG2 0.01 -0.03 -0.07 -0.04 2.03 1.89 3hyoA1 PRO 155 HG3 0.00 0.06 -0.01 -0.04 2.03 2.05 3hyoA1 PRO 155 HD2 -0.02 0.11 0.04 -0.04 3.68 3.77 3hyoA1 PRO 155 HD3 -0.10 0.44 -0.26 -0.04 3.65 3.69 3hyoA1 ASP 156 H -0.02 0.17 0.11 -0.55 8.40 8.12 3hyoA1 ASP 156 HA -0.02 0.16 0.64 -0.75 4.63 4.66 3hyoA1 ASP 156 HB2 -0.02 0.11 0.13 -0.04 2.71 2.90 3hyoA1 ASP 156 HB3 -0.01 -0.02 0.21 -0.04 2.70 2.84 3hyoA1 LEU 157 H -0.01 0.31 0.17 -0.55 8.37 8.30 3hyoA1 LEU 157 HA 0.02 0.03 0.26 -0.75 4.35 3.90 3hyoA1 LEU 157 HB2 0.00 0.01 0.04 -0.04 1.64 1.65 3hyoA1 LEU 157 HB3 0.02 0.04 -0.00 -0.04 1.64 1.66 3hyoA1 LEU 157 HG 0.01 0.11 0.05 -0.04 1.64 1.77 3hyoA1 LEU 157 HD13 0.03 0.01 -0.05 -0.04 0.93 0.88 3hyoA1 LEU 157 HD23 0.06 -0.01 -0.06 -0.04 0.89 0.84 3hyoA1 GLU 158 H -0.00 0.04 -0.33 -0.55 8.60 7.76 3hyoA1 GLU 158 HA 0.00 0.15 0.48 -0.75 4.29 4.17 3hyoA1 GLU 158 HB2 -0.00 -0.03 -0.02 -0.04 2.09 1.99 3hyoA1 GLU 158 HB3 0.00 0.09 0.05 -0.04 1.99 2.09 3hyoA1 GLU 158 HG2 -0.01 -0.11 0.01 -0.04 2.34 2.19 3hyoA1 GLU 158 HG3 -0.01 0.03 0.02 -0.04 2.34 2.34 3hyoA1 VAL 159 H 0.00 0.24 -0.30 -0.55 8.24 7.64 3hyoA1 VAL 159 HA 0.00 0.20 0.79 -0.75 4.13 4.38 3hyoA1 VAL 159 HB -0.00 -0.00 0.15 -0.04 2.12 2.22 3hyoA1 VAL 159 HG13 0.00 0.01 -0.10 -0.04 0.97 0.84 3hyoA1 VAL 159 HG23 -0.00 -0.01 -0.03 -0.04 0.95 0.86 3hyoA1 ILE 160 H 0.01 0.50 0.09 -0.55 8.25 8.30 3hyoA1 ILE 160 HA 0.02 0.12 0.30 -0.75 4.18 3.85 3hyoA1 ILE 160 HB 0.01 -0.04 -0.04 -0.04 1.89 1.78 3hyoA1 ILE 160 HG12 0.04 0.00 -0.21 -0.04 1.49 1.28 3hyoA1 ILE 160 HG13 0.03 0.06 -0.06 -0.04 1.21 1.20 3hyoA1 ILE 160 HG23 0.03 0.02 -0.22 -0.04 0.93 0.71 3hyoA1 ILE 160 HD13 0.03 -0.02 -0.25 -0.04 0.88 0.60 3hyoA1 LEU 161 H 0.03 0.32 -0.15 -0.55 8.37 8.03 3hyoA1 LEU 161 HA 0.05 0.02 0.42 -0.75 4.35 4.09 3hyoA1 LEU 161 HB2 0.03 0.26 0.10 -0.04 1.64 1.99 3hyoA1 LEU 161 HB3 0.06 -0.03 -0.02 -0.04 1.64 1.61 3hyoA1 LEU 161 HG 0.05 -0.11 0.02 -0.04 1.64 1.57 3hyoA1 LEU 161 HD13 0.06 -0.03 -0.20 -0.04 0.93 0.72 3hyoA1 LEU 161 HD23 0.10 0.02 -0.05 -0.04 0.89 0.91 3hyoA1 PRO 162 HA 0.02 0.07 0.50 -0.51 4.44 4.51 3hyoA1 PRO 162 HB2 0.01 0.08 -0.02 -0.04 2.28 2.30 3hyoA1 PRO 162 HB3 0.01 0.02 0.05 -0.04 2.02 2.05 3hyoA1 PRO 162 HG2 0.01 0.25 0.11 -0.04 2.03 2.35 3hyoA1 PRO 162 HG3 0.01 -0.01 0.04 -0.04 2.03 2.02 3hyoA1 PRO 162 HD2 0.01 0.06 -0.70 -0.04 3.68 3.01 3hyoA1 PRO 162 HD3 0.02 0.10 -0.08 -0.04 3.65 3.65 3hyoA1 ALA 163 H 0.02 0.35 -0.35 -0.55 8.40 7.87 3hyoA1 ALA 163 HA 0.01 0.05 0.39 -0.75 4.34 4.03 3hyoA1 ALA 163 HB3 0.01 0.03 0.09 -0.04 1.41 1.49 3hyoA1 LEU 164 H 0.03 0.44 -0.18 -0.55 8.37 8.11 3hyoA1 LEU 164 HA 0.02 0.07 0.35 -0.75 4.35 4.03 3hyoA1 LEU 164 HB2 0.04 0.10 0.17 -0.04 1.64 1.91 3hyoA1 LEU 164 HB3 0.04 -0.04 -0.07 -0.04 1.64 1.52 3hyoA1 LEU 164 HG 0.03 0.07 -0.00 -0.04 1.64 1.70 3hyoA1 LEU 164 HD13 0.06 -0.06 -0.12 -0.04 0.93 0.77 3hyoA1 LEU 164 HD23 0.03 -0.02 -0.00 -0.04 0.89 0.85 3hyoA1 GLN 165 H 0.03 0.53 -0.06 -0.55 8.47 8.41 3hyoA1 GLN 165 HA 0.02 -0.01 0.37 -0.75 4.36 3.98 3hyoA1 GLN 165 HB2 0.02 0.10 0.14 -0.04 2.15 2.36 3hyoA1 GLN 165 HB3 0.01 0.01 0.01 -0.04 2.02 2.00 3hyoA1 GLN 165 HG2 0.05 0.13 0.11 -0.04 2.40 2.65 3hyoA1 GLN 165 HG3 0.04 -0.07 0.00 -0.04 2.39 2.33 3hyoA1 GLN 165 HE21 -0.03 0.46 -0.04 -0.04 6.97 7.32 3hyoA1 GLN 165 HE22 -0.01 0.02 0.03 -0.04 7.69 7.69 3hyoA1 ALA 166 H 0.01 0.32 -0.57 -0.55 8.40 7.60 3hyoA1 ALA 166 HA -0.00 -0.01 0.29 -0.75 4.34 3.86 3hyoA1 ALA 166 HB3 0.00 0.05 0.09 -0.04 1.41 1.50 3hyoA1 GLN 167 H 0.00 0.40 -0.53 -0.55 8.47 7.80 3hyoA1 GLN 167 HA -0.01 0.12 0.89 -0.75 4.36 4.60 3hyoA1 GLN 167 HB2 -0.00 0.09 0.03 -0.04 2.15 2.22 3hyoA1 GLN 167 HB3 -0.01 -0.04 0.05 -0.04 2.02 1.98 3hyoA1 GLN 167 HG2 -0.01 -0.03 -0.05 -0.04 2.40 2.27 3hyoA1 GLN 167 HG3 -0.00 0.04 -0.09 -0.04 2.39 2.30 3hyoA1 GLN 167 HE21 -0.00 0.39 -0.14 -0.04 6.97 7.17 3hyoA1 GLN 167 HE22 0.00 -0.03 -0.11 -0.04 7.69 7.51 3hyoA1 LEU 168 H -0.01 0.36 -0.13 -0.55 8.37 8.05 3hyoA1 LEU 168 HA -0.02 0.16 0.67 -0.75 4.35 4.41 3hyoA1 LEU 168 HB2 -0.02 0.05 -0.01 -0.04 1.64 1.62 3hyoA1 LEU 168 HB3 -0.02 0.03 -0.00 -0.04 1.64 1.60 3hyoA1 LEU 168 HG 0.00 0.10 -0.12 -0.04 1.64 1.58 3hyoA1 LEU 168 HD13 0.02 -0.05 -0.34 -0.04 0.93 0.52 3hyoA1 LEU 168 HD23 -0.00 0.01 -0.24 -0.04 0.89 0.62 3hyoA1 LYS 169 H -0.03 0.21 0.10 -0.55 8.42 8.15 3hyoA1 LYS 169 HA -0.02 0.04 0.58 -0.75 4.32 4.17 3hyoA1 LYS 169 HB2 -0.03 -0.09 0.14 -0.04 1.87 1.85 3hyoA1 LYS 169 HB3 -0.02 0.14 0.16 -0.04 1.79 2.03 3hyoA1 LYS 169 HG2 -0.03 0.02 -0.01 -0.04 1.46 1.40 3hyoA1 LYS 169 HG3 -0.04 0.06 -0.22 -0.04 1.46 1.22 3hyoA1 LYS 169 HD2 -0.02 -0.08 0.00 -0.04 1.69 1.55 3hyoA1 LYS 169 HD3 -0.02 0.05 -0.04 -0.04 1.68 1.62 3hyoA1 LYS 169 HE2 -0.02 0.07 -0.34 -0.04 2.99 2.65 3hyoA1 LYS 169 HE3 -0.03 -0.04 -0.09 -0.04 2.99 2.79 3hyoA1 THR 170 H -0.03 0.07 0.15 -0.55 8.28 7.92 3hyoA1 THR 170 HA -0.04 0.04 0.48 -0.75 4.39 4.12 3hyoA1 THR 170 HB -0.02 -0.00 0.12 -0.04 4.32 4.38 3hyoA1 THR 170 HG23 -0.02 -0.01 -0.01 -0.04 1.22 1.15 3hyoA1 GLY 171 H -0.07 0.14 0.20 -0.55 8.43 8.16 3hyoA1 GLY 171 HA2 -0.10 -0.07 0.35 -0.51 4.01 3.68 3hyoA1 GLY 171 HA3 -0.07 0.09 0.44 -0.51 4.01 3.95 3hyoA1 ALA 172 H -0.13 0.38 -0.39 -0.55 8.40 7.71 3hyoA1 ALA 172 HA -0.23 0.15 0.67 -0.75 4.34 4.18 3hyoA1 ALA 172 HB3 -0.06 0.00 0.03 -0.04 1.41 1.34 3hyoA1 HIS 173 H 0.01 0.66 0.29 -0.55 8.41 8.83 3hyoA1 HIS 173 HA 0.06 0.14 1.00 -0.75 4.63 5.08 3hyoA1 HIS 173 HB2 -0.02 -0.04 0.12 -0.04 3.26 3.28 3hyoA1 HIS 173 HB3 0.05 -0.06 -0.06 -0.04 3.20 3.09 3hyoA1 HIS 173 HD2 -0.02 0.04 0.04 -0.04 6.97 6.99 3hyoA1 HIS 173 HE1 0.08 -0.11 -0.03 -0.04 7.75 7.64 3hyoA1 ALA 174 H 0.14 0.18 0.16 -0.55 8.40 8.34 3hyoA1 ALA 174 HA 0.08 0.11 0.84 -0.75 4.34 4.61 3hyoA1 ALA 174 HB3 0.08 0.01 0.04 -0.04 1.41 1.49 3hyoA1 VAL 175 H 0.07 0.72 0.28 -0.55 8.24 8.76 3hyoA1 VAL 175 HA 0.19 0.24 0.99 -0.75 4.13 4.79 3hyoA1 VAL 175 HB -0.01 0.05 0.11 -0.04 2.12 2.22 3hyoA1 VAL 175 HG13 -0.02 -0.03 -0.25 -0.04 0.97 0.64 3hyoA1 VAL 175 HG23 -0.10 -0.00 -0.24 -0.04 0.95 0.57 3hyoA1 ILE 176 H 0.16 0.62 0.29 -0.55 8.25 8.77 3hyoA1 ILE 176 HA 0.09 0.45 0.85 -0.75 4.18 4.80 3hyoA1 ILE 176 HB 0.12 -0.01 0.15 -0.04 1.89 2.11 3hyoA1 ILE 176 HG12 0.08 0.05 -0.16 -0.04 1.49 1.41 3hyoA1 ILE 176 HG13 0.10 0.06 -0.13 -0.04 1.21 1.20 3hyoA1 ILE 176 HG23 0.10 -0.05 -0.20 -0.04 0.93 0.73 3hyoA1 ILE 176 HD13 0.07 -0.02 -0.13 -0.04 0.88 0.76 3hyoA1 THR 177 H 0.08 0.23 0.25 -0.55 8.28 8.30 3hyoA1 THR 177 HA 0.06 0.20 0.37 -0.75 4.39 4.26 3hyoA1 THR 177 HB 0.04 -0.02 -0.02 -0.04 4.32 4.28 3hyoA1 THR 177 HG23 0.03 0.07 -0.17 -0.04 1.22 1.10 3hyoA1 ASP 178 H 0.10 -0.04 0.04 -0.55 8.40 7.95 3hyoA1 ASP 178 HA 0.09 0.29 0.92 -0.75 4.63 5.18 3hyoA1 ASP 178 HB2 0.10 0.06 0.23 -0.04 2.71 3.05 3hyoA1 ASP 178 HB3 0.09 0.00 0.01 -0.04 2.70 2.76 3hyoA1 VAL 179 H 0.15 0.61 -0.02 -0.55 8.24 8.43 3hyoA1 VAL 179 HA 0.12 0.02 0.56 -0.75 4.13 4.08 3hyoA1 VAL 179 HB 0.39 0.07 -0.12 -0.04 2.12 2.41 3hyoA1 VAL 179 HG13 0.10 0.00 -0.23 -0.04 0.97 0.80 3hyoA1 VAL 179 HG23 0.15 -0.02 -0.08 -0.04 0.95 0.96 3hyoA1 GLN 180 H 0.08 0.14 0.22 -0.55 8.47 8.36 3hyoA1 GLN 180 HA 0.13 0.31 0.92 -0.75 4.36 4.97 3hyoA1 GLN 180 HB2 0.04 -0.08 0.14 -0.04 2.15 2.22 3hyoA1 GLN 180 HB3 0.05 0.12 0.03 -0.04 2.02 2.19 3hyoA1 GLN 180 HG2 0.10 0.01 -0.18 -0.04 2.40 2.29 3hyoA1 GLN 180 HG3 0.08 -0.00 0.07 -0.04 2.39 2.49 3hyoA1 GLN 180 HE21 0.08 -0.01 -0.01 -0.04 6.97 6.98 3hyoA1 GLN 180 HE22 0.09 -0.02 -0.02 -0.04 7.69 7.70 3hyoA1 ARG 181 H 0.05 0.46 -0.02 -0.55 8.46 8.39 3hyoA1 ARG 181 HA -0.11 0.12 0.66 -0.75 4.34 4.26 3hyoA1 ARG 181 HB2 -0.46 -0.02 -0.03 -0.04 1.90 1.35 3hyoA1 ARG 181 HB3 -0.24 -0.01 -0.06 -0.04 1.80 1.45 3hyoA1 ARG 181 HG2 -0.29 0.05 -0.01 -0.04 1.67 1.38 3hyoA1 ARG 181 HG3 -0.71 -0.01 -0.40 -0.04 1.67 0.51 3hyoA1 ARG 181 HD2 -1.01 -0.01 -0.14 -0.04 3.22 2.01 3hyoA1 ARG 181 HD3 -0.33 -0.01 -0.08 -0.04 3.22 2.77 3hyoA1 ALA 182 H -0.03 0.16 0.01 -0.55 8.40 7.99 3hyoA1 ALA 182 HA -0.00 0.05 0.32 -0.75 4.34 3.95 3hyoA1 ALA 182 HB3 -0.01 0.06 0.09 -0.04 1.41 1.51 3hyoA1 ASP 183 H 0.02 0.13 0.22 -0.55 8.40 8.22 3hyoA1 ASP 183 HA 0.04 0.20 0.65 -0.75 4.63 4.76 3hyoA1 ASP 183 HB2 0.04 0.02 0.21 -0.04 2.71 2.94 3hyoA1 ASP 183 HB3 0.03 0.00 0.08 -0.04 2.70 2.77 3hyoA1 GLN 184 H 0.06 0.47 -0.38 -0.55 8.47 8.08 3hyoA1 GLN 184 HA 0.09 0.19 0.90 -0.75 4.36 4.79 3hyoA1 GLN 184 HB2 0.19 0.06 0.00 -0.04 2.15 2.36 3hyoA1 GLN 184 HB3 0.23 -0.02 -0.11 -0.04 2.02 2.08 3hyoA1 GLN 184 HG2 0.08 -0.05 -0.34 -0.04 2.40 2.06 3hyoA1 GLN 184 HG3 0.10 0.01 -0.08 -0.04 2.39 2.38 3hyoA1 GLN 184 HE21 0.15 0.05 -0.22 -0.04 6.97 6.91 3hyoA1 GLN 184 HE22 0.38 -0.00 -0.18 -0.04 7.69 7.85 3hyoA1 ILE 185 H 0.11 0.68 0.36 -0.55 8.25 8.85 3hyoA1 ILE 185 HA 0.18 0.21 0.75 -0.75 4.18 4.56 3hyoA1 ILE 185 HB 0.10 -0.01 -0.07 -0.04 1.89 1.87 3hyoA1 ILE 185 HG12 0.09 0.08 -0.06 -0.04 1.49 1.56 3hyoA1 ILE 185 HG13 0.11 0.01 -0.13 -0.04 1.21 1.15 3hyoA1 ILE 185 HG23 0.07 0.01 -0.01 -0.04 0.93 0.96 3hyoA1 ILE 185 HD13 0.10 -0.02 -0.00 -0.04 0.88 0.91 3hyoA1 GLY 186 H 0.16 0.44 0.13 -0.55 8.43 8.61 3hyoA1 GLY 186 HA2 -0.04 0.07 0.49 -0.51 4.01 4.03 3hyoA1 GLY 186 HA3 -0.25 0.10 0.53 -0.51 4.01 3.88 3hyoA1 CYS 187 H -0.21 0.77 0.36 -0.55 8.50 8.88 3hyoA1 CYS 187 HA 0.08 0.28 0.84 -0.75 4.58 5.02 3hyoA1 CYS 187 HB2 -0.04 0.01 0.12 -0.04 2.97 3.01 3hyoA1 CYS 187 HB3 0.02 0.00 -0.11 -0.04 2.97 2.84 3hyoA1 ALA 188 H 0.22 0.61 0.38 -0.55 8.40 9.07 3hyoA1 ALA 188 HA 0.31 0.38 1.08 -0.75 4.34 5.35 3hyoA1 ALA 188 HB3 0.22 -0.04 0.04 -0.04 1.41 1.58 3hyoA1 TRP 189 H -0.03 0.52 0.35 -0.55 7.97 8.26 3hyoA1 TRP 189 HA 0.04 0.19 0.72 -0.75 4.62 4.82 3hyoA1 TRP 189 HB2 0.04 0.12 0.13 -0.04 3.23 3.48 3hyoA1 TRP 189 HB3 0.01 -0.02 -0.18 -0.04 3.23 2.99 3hyoA1 TRP 189 HD1 -0.01 0.28 -0.25 -0.04 7.22 7.19 3hyoA1 TRP 189 HE1 -0.06 -0.07 -0.17 -0.04 10.20 9.86 3hyoA1 TRP 189 HE3 -0.02 -0.13 -0.42 -0.04 7.59 6.98 3hyoA1 TRP 189 HZ2 -0.04 -0.06 -0.09 -0.04 7.44 7.21 3hyoA1 TRP 189 HZ3 -0.09 0.03 -0.29 -0.04 7.13 6.74 3hyoA1 TRP 189 HH2 -0.05 0.04 -0.19 -0.04 7.19 6.94 3hyoA1 LEU 190 H 0.22 0.25 0.17 -0.55 8.37 8.46 3hyoA1 LEU 190 HA -0.14 0.14 0.65 -0.75 4.35 4.24 3hyoA1 LEU 190 HB2 0.10 0.04 0.09 -0.04 1.64 1.83 3hyoA1 LEU 190 HB3 0.01 0.04 -0.11 -0.04 1.64 1.54 3hyoA1 LEU 190 HG 0.05 -0.10 -0.11 -0.04 1.64 1.43 3hyoA1 LEU 190 HD13 0.03 0.01 -0.15 -0.04 0.93 0.78 3hyoA1 LEU 190 HD23 -0.01 0.04 -0.24 -0.04 0.89 0.64 3hyoA1 ASP 191 H -0.18 0.61 0.22 -0.55 8.40 8.51 3hyoA1 ASP 191 HA 0.15 0.18 0.64 -0.75 4.63 4.84 3hyoA1 ASP 191 HB2 0.05 -0.06 0.20 -0.04 2.71 2.86 3hyoA1 ASP 191 HB3 -0.11 0.08 0.10 -0.04 2.70 2.73 3hyoA1 GLU 192 H 0.08 0.14 0.16 -0.55 8.60 8.44 3hyoA1 GLU 192 HA 0.06 0.19 0.37 -0.75 4.29 4.15 3hyoA1 GLU 192 HB2 0.05 -0.07 0.15 -0.04 2.09 2.19 3hyoA1 GLU 192 HB3 0.03 0.05 0.01 -0.04 1.99 2.03 3hyoA1 GLU 192 HG2 0.06 0.06 0.08 -0.04 2.34 2.50 3hyoA1 GLU 192 HG3 0.12 0.02 0.08 -0.04 2.34 2.52 3hyoA1 ALA 193 H -0.05 -0.03 -0.27 -0.55 8.40 7.50 3hyoA1 ALA 193 HA -0.11 0.20 0.63 -0.75 4.34 4.30 3hyoA1 ALA 193 HB3 -0.16 -0.01 0.05 -0.04 1.41 1.25 3hyoA1 GLY 194 H -0.11 0.48 -0.40 -0.55 8.43 7.85 3hyoA1 GLY 194 HA2 -0.07 0.10 0.20 -0.51 4.01 3.73 3hyoA1 GLY 194 HA3 -0.14 0.14 0.51 -0.51 4.01 4.01 3hyoA1 HIS 195 H -0.19 -0.06 -0.17 -0.55 8.41 7.45 3hyoA1 HIS 195 HA -0.06 0.16 0.72 -0.75 4.63 4.70 3hyoA1 HIS 195 HB2 -0.09 -0.10 0.01 -0.04 3.26 3.05 3hyoA1 HIS 195 HB3 -0.08 0.09 -0.03 -0.04 3.20 3.13 3hyoA1 HIS 195 HD2 -0.03 -0.05 -0.05 -0.04 6.97 6.80 3hyoA1 HIS 195 HE1 -0.02 0.01 -0.06 -0.04 7.75 7.65 3hyoA1 VAL 196 H 0.00 0.13 0.14 -0.55 8.24 7.96 3hyoA1 VAL 196 HA -0.16 0.18 0.51 -0.75 4.13 3.91 3hyoA1 VAL 196 HB -0.06 -0.05 0.08 -0.04 2.12 2.05 3hyoA1 VAL 196 HG13 -0.04 -0.01 -0.18 -0.04 0.97 0.70 3hyoA1 VAL 196 HG23 -0.02 -0.01 -0.09 -0.04 0.95 0.79 3hyoA1 GLN 197 H -0.60 0.83 0.48 -0.55 8.47 8.63 3hyoA1 GLN 197 HA -0.33 0.14 0.92 -0.75 4.36 4.34 3hyoA1 GLN 197 HB2 -2.59 -0.00 0.04 -0.04 2.15 -0.45 3hyoA1 GLN 197 HB3 -0.94 0.02 0.03 -0.04 2.02 1.08 3hyoA1 GLN 197 HG2 -0.56 0.09 -0.06 -0.04 2.40 1.82 3hyoA1 GLN 197 HG3 -0.52 -0.05 -0.04 -0.04 2.39 1.74 3hyoA1 GLN 197 HE21 -0.07 -0.00 -0.08 -0.04 6.97 6.78 3hyoA1 GLN 197 HE22 -0.09 -0.04 -0.19 -0.04 7.69 7.33 3hyoA1 TYR 198 H -0.08 0.23 0.16 -0.55 8.29 8.05 3hyoA1 TYR 198 HA 0.06 0.34 0.96 -0.75 4.56 5.17 3hyoA1 TYR 198 HB2 -0.03 -0.02 -0.16 -0.04 3.06 2.81 3hyoA1 TYR 198 HB3 -0.03 -0.03 0.01 -0.04 2.98 2.89 3hyoA1 TYR 198 HD2 0.04 -0.02 -0.26 -0.04 7.15 6.87 3hyoA1 TYR 198 HE2 0.05 0.02 -0.34 -0.04 6.85 6.54 3hyoA1 CYS 199 H -0.27 0.73 0.22 -0.55 8.50 8.63 3hyoA1 CYS 199 HA -0.04 0.12 0.82 -0.75 4.58 4.73 3hyoA1 CYS 199 HB2 0.42 -0.02 -0.19 -0.04 2.97 3.13 3hyoA1 CYS 199 HB3 0.06 -0.03 0.07 -0.04 2.97 3.03 3hyoA1 GLY 200 H -0.11 0.21 0.10 -0.55 8.43 8.08 3hyoA1 GLY 200 HA2 -0.16 0.23 0.94 -0.51 4.01 4.52 3hyoA1 GLY 200 HA3 -0.11 -0.04 0.07 -0.51 4.01 3.41 3hyoA1 ALA 201 H 0.04 0.60 0.36 -0.55 8.40 8.85 3hyoA1 ALA 201 HA 0.03 0.08 0.61 -0.75 4.34 4.32 3hyoA1 ALA 201 HB3 0.02 0.03 -0.04 -0.04 1.41 1.37 3hyoA1 ARG 202 H 0.04 0.12 0.14 -0.55 8.46 8.21 3hyoA1 ARG 202 HA 0.06 0.09 0.42 -0.75 4.34 4.15 3hyoA1 ARG 202 HB2 0.04 -0.07 0.13 -0.04 1.90 1.96 3hyoA1 ARG 202 HB3 0.03 -0.00 0.13 -0.04 1.80 1.92 3hyoA1 ARG 202 HG2 0.04 0.18 -0.06 -0.04 1.67 1.79 3hyoA1 ARG 202 HG3 0.04 -0.00 0.07 -0.04 1.67 1.73 3hyoA1 ARG 202 HD2 0.03 -0.01 0.01 -0.04 3.22 3.21 3hyoA1 ARG 202 HD3 0.03 -0.01 0.02 -0.04 3.22 3.21 3hyoA1 ARG 203 H 0.06 0.62 0.47 -0.55 8.46 9.06 3hyoA1 ARG 203 HA 0.06 -0.00 0.46 -0.75 4.34 4.11 3hyoA1 ARG 203 HB2 0.07 -0.05 -0.09 -0.04 1.90 1.79 3hyoA1 ARG 203 HB3 0.06 -0.00 0.04 -0.04 1.80 1.86 3hyoA1 ARG 203 HG2 0.08 0.09 -0.23 -0.04 1.67 1.58 3hyoA1 ARG 203 HG3 0.09 -0.04 0.03 -0.04 1.67 1.71 3hyoA1 ARG 203 HD2 0.08 -0.02 -0.11 -0.04 3.22 3.13 3hyoA1 ARG 203 HD3 0.07 -0.02 -0.10 -0.04 3.22 3.13 3hyoA1 LEU 204 H 0.07 0.09 0.19 -0.55 8.37 8.18 3hyoA1 LEU 204 HA 0.05 0.16 0.80 -0.75 4.35 4.61 3hyoA1 LEU 204 HB2 0.03 -0.03 0.02 -0.04 1.64 1.61 3hyoA1 LEU 204 HB3 0.03 0.03 0.06 -0.04 1.64 1.72 3hyoA1 LEU 204 HG 0.02 0.04 0.04 -0.04 1.64 1.70 3hyoA1 LEU 204 HD13 -0.04 -0.02 0.01 -0.04 0.93 0.84 3hyoA1 LEU 204 HD23 0.02 0.01 -0.15 -0.04 0.89 0.73 3hyoA1 PRO 205 HA 0.09 0.01 0.37 -0.51 4.44 4.40 3hyoA1 PRO 205 HB2 0.07 0.01 -0.02 -0.04 2.28 2.30 3hyoA1 PRO 205 HB3 0.06 0.00 0.10 -0.04 2.02 2.14 3hyoA1 PRO 205 HG2 0.09 0.03 0.09 -0.04 2.03 2.20 3hyoA1 PRO 205 HG3 0.05 0.03 0.08 -0.04 2.03 2.15 3hyoA1 PRO 205 HD2 0.06 0.08 0.21 -0.04 3.68 3.99 3hyoA1 PRO 205 HD3 0.05 0.15 0.20 -0.04 3.65 4.01 3hyoA1 GLY 206 H 0.06 0.05 0.18 -0.55 8.43 8.18 3hyoA1 GLY 206 HA2 -0.05 -0.04 0.33 -0.51 4.01 3.74 3hyoA1 GLY 206 HA3 -0.07 0.21 0.62 -0.51 4.01 4.27 3hyoA1 HIS 207 H -0.35 0.22 0.19 -0.55 8.41 7.93 3hyoA1 HIS 207 HA -0.16 0.21 0.88 -0.75 4.63 4.80 3hyoA1 HIS 207 HB2 -0.09 0.03 0.00 -0.04 3.26 3.17 3hyoA1 HIS 207 HB3 -0.16 -0.01 0.08 -0.04 3.20 3.06 3hyoA1 HIS 207 HD2 -0.10 0.03 -0.21 -0.04 6.97 6.64 3hyoA1 HIS 207 HE1 0.02 -0.08 -0.01 -0.04 7.75 7.63 3hyoA1 TYR 208 H -0.63 0.16 0.13 -0.55 8.29 7.40 3hyoA1 TYR 208 HA -0.19 0.26 0.90 -0.75 4.56 4.77 3hyoA1 TYR 208 HB2 -0.13 -0.07 0.03 -0.04 3.06 2.86 3hyoA1 TYR 208 HB3 -0.09 0.08 -0.02 -0.04 2.98 2.90 3hyoA1 TYR 208 HD2 -0.05 0.01 -0.12 -0.04 7.15 6.96 3hyoA1 TYR 208 HE2 0.00 0.12 -0.25 -0.04 6.85 6.68 3hyoA1 ASN 209 H -0.07 0.37 0.13 -0.55 8.53 8.42 3hyoA1 ASN 209 HA -0.11 -0.04 0.59 -0.75 4.76 4.44 3hyoA1 ASN 209 HB2 -0.02 0.26 -0.01 -0.04 2.88 3.07 3hyoA1 ASN 209 HB3 -0.17 -0.14 0.06 -0.04 2.79 2.50 3hyoA1 ASN 209 HD21 0.02 -0.04 0.09 -0.04 7.03 7.06 3hyoA1 ASN 209 HD22 0.09 0.66 0.18 -0.04 7.74 8.62 3hyoA1 GLY 210 H -0.04 0.09 0.23 -0.55 8.43 8.15 3hyoA1 GLY 210 HA2 -0.00 -0.14 0.43 -0.51 4.01 3.78 3hyoA1 GLY 210 HA3 0.01 0.25 0.48 -0.51 4.01 4.24 3hyoA1 THR 211 H 0.00 0.27 -0.22 -0.55 8.28 7.78 3hyoA1 THR 211 HA 0.02 0.18 0.31 -0.75 4.39 4.16 3hyoA1 THR 211 HB 0.04 0.08 -0.00 -0.04 4.32 4.40 3hyoA1 THR 211 HG23 0.04 0.05 -0.03 -0.04 1.22 1.24 3hyoA1 GLY 212 H 0.05 0.05 -0.03 -0.55 8.43 7.95 3hyoA1 GLY 212 HA2 0.05 0.18 0.40 -0.51 4.01 4.13 3hyoA1 GLY 212 HA3 0.06 0.02 0.28 -0.51 4.01 3.86 3hyoA1 ASP 213 H 0.04 -0.04 -0.32 -0.55 8.40 7.53 3hyoA1 ASP 213 HA 0.05 0.07 0.39 -0.75 4.63 4.38 3hyoA1 ASP 213 HB2 0.03 0.16 0.17 -0.04 2.71 3.03 3hyoA1 ASP 213 HB3 0.04 0.08 0.05 -0.04 2.70 2.83 3hyoA1 THR 214 H 0.03 0.51 -0.12 -0.55 8.28 8.16 3hyoA1 THR 214 HA 0.04 0.05 0.42 -0.75 4.39 4.14 3hyoA1 THR 214 HB 0.03 0.08 0.11 -0.04 4.32 4.51 3hyoA1 THR 214 HG23 0.05 0.02 -0.12 -0.04 1.22 1.13 3hyoA1 LEU 215 H 0.04 0.50 -0.13 -0.55 8.37 8.23 3hyoA1 LEU 215 HA 0.04 0.08 0.39 -0.75 4.35 4.11 3hyoA1 LEU 215 HB2 0.03 0.06 0.07 -0.04 1.64 1.76 3hyoA1 LEU 215 HB3 0.03 0.01 0.11 -0.04 1.64 1.75 3hyoA1 LEU 215 HG -0.02 -0.03 -0.23 -0.04 1.64 1.33 3hyoA1 LEU 215 HD13 -0.02 0.01 -0.10 -0.04 0.93 0.77 3hyoA1 LEU 215 HD23 0.01 -0.01 -0.09 -0.04 0.89 0.76 3hyoA1 ALA 216 H 0.03 0.50 -0.21 -0.55 8.40 8.17 3hyoA1 ALA 216 HA 0.00 0.03 0.35 -0.75 4.34 3.97 3hyoA1 ALA 216 HB3 0.03 0.01 0.02 -0.04 1.41 1.43 3hyoA1 ALA 217 H 0.03 0.42 -0.23 -0.55 8.40 8.08 3hyoA1 ALA 217 HA 0.00 0.03 0.32 -0.75 4.34 3.93 3hyoA1 ALA 217 HB3 0.03 0.01 0.03 -0.04 1.41 1.44 3hyoA1 VAL 218 H 0.07 0.58 -0.18 -0.55 8.24 8.16 3hyoA1 VAL 218 HA 0.18 0.08 0.38 -0.75 4.13 4.01 3hyoA1 VAL 218 HB 0.11 0.05 0.14 -0.04 2.12 2.38 3hyoA1 VAL 218 HG13 0.07 -0.01 -0.17 -0.04 0.97 0.82 3hyoA1 VAL 218 HG23 0.33 0.01 -0.04 -0.04 0.95 1.21 3hyoA1 ILE 219 H -0.01 0.62 -0.14 -0.55 8.25 8.17 3hyoA1 ILE 219 HA -0.10 0.00 0.31 -0.75 4.18 3.65 3hyoA1 ILE 219 HB -0.04 0.06 0.09 -0.04 1.89 1.96 3hyoA1 ILE 219 HG12 -0.15 -0.04 -0.11 -0.04 1.49 1.15 3hyoA1 ILE 219 HG13 -0.08 0.06 0.00 -0.04 1.21 1.15 3hyoA1 ILE 219 HG23 -0.09 -0.01 -0.21 -0.04 0.93 0.57 3hyoA1 ILE 219 HD13 -0.08 -0.03 -0.15 -0.04 0.88 0.58 3hyoA1 ALA 220 H -0.02 0.64 -0.13 -0.55 8.40 8.35 3hyoA1 ALA 220 HA -0.03 -0.02 0.37 -0.75 4.34 3.91 3hyoA1 ALA 220 HB3 -0.06 0.01 -0.02 -0.04 1.41 1.29 3hyoA1 GLY 221 H 0.00 0.55 -0.28 -0.55 8.43 8.15 3hyoA1 GLY 221 HA2 -0.01 0.04 0.31 -0.51 4.01 3.84 3hyoA1 GLY 221 HA3 0.16 0.08 0.21 -0.51 4.01 3.95 3hyoA1 LEU 222 H 0.04 0.53 -0.20 -0.55 8.37 8.20 3hyoA1 LEU 222 HA 0.19 0.09 0.45 -0.75 4.35 4.32 3hyoA1 LEU 222 HB2 -0.10 0.04 0.11 -0.04 1.64 1.65 3hyoA1 LEU 222 HB3 -0.12 -0.08 -0.03 -0.04 1.64 1.36 3hyoA1 LEU 222 HG -0.10 0.15 -0.01 -0.04 1.64 1.63 3hyoA1 LEU 222 HD13 -0.60 -0.04 -0.08 -0.04 0.93 0.16 3hyoA1 LEU 222 HD23 -0.35 -0.00 -0.07 -0.04 0.89 0.43 3hyoA1 LEU 223 H 0.02 0.63 -0.04 -0.55 8.37 8.43 3hyoA1 LEU 223 HA 0.05 0.16 0.38 -0.75 4.35 4.20 3hyoA1 LEU 223 HB2 0.00 0.07 0.06 -0.04 1.64 1.73 3hyoA1 LEU 223 HB3 0.01 -0.03 -0.04 -0.04 1.64 1.54 3hyoA1 LEU 223 HG -0.06 0.08 0.00 -0.04 1.64 1.62 3hyoA1 LEU 223 HD13 -0.04 -0.03 -0.13 -0.04 0.93 0.68 3hyoA1 LEU 223 HD23 -0.06 0.01 -0.10 -0.04 0.89 0.70 3hyoA1 GLY 224 H 0.09 0.58 -0.33 -0.55 8.43 8.23 3hyoA1 GLY 224 HA2 0.10 -0.02 0.32 -0.51 4.01 3.90 3hyoA1 GLY 224 HA3 0.21 0.07 0.20 -0.51 4.01 3.98 3hyoA1 ARG 225 H 0.18 0.29 -0.65 -0.55 8.46 7.73 3hyoA1 ARG 225 HA 0.03 0.13 0.77 -0.75 4.34 4.51 3hyoA1 ARG 225 HB2 0.24 0.10 0.11 -0.04 1.90 2.31 3hyoA1 ARG 225 HB3 0.02 -0.09 0.11 -0.04 1.80 1.80 3hyoA1 ARG 225 HG2 -0.02 -0.02 -0.01 -0.04 1.67 1.57 3hyoA1 ARG 225 HG3 0.17 0.20 -0.04 -0.04 1.67 1.96 3hyoA1 ARG 225 HD2 0.28 -0.07 -0.04 -0.04 3.22 3.35 3hyoA1 ARG 225 HD3 0.11 -0.05 -0.01 -0.04 3.22 3.22 3hyoA1 GLY 226 H 0.04 0.45 -0.29 -0.55 8.43 8.07 3hyoA1 GLY 226 HA2 -0.03 0.02 0.21 -0.51 4.01 3.70 3hyoA1 GLY 226 HA3 -0.10 0.06 0.39 -0.51 4.01 3.85 3hyoA1 TYR 227 H 0.07 0.36 -0.12 -0.55 8.29 8.05 3hyoA1 TYR 227 HA -0.03 0.06 0.52 -0.75 4.56 4.36 3hyoA1 TYR 227 HB2 -0.07 0.00 -0.12 -0.04 3.06 2.84 3hyoA1 TYR 227 HB3 -0.08 -0.06 -0.11 -0.04 2.98 2.69 3hyoA1 TYR 227 HD2 -0.03 0.06 -0.01 -0.04 7.15 7.13 3hyoA1 TYR 227 HE2 -0.01 0.00 -0.05 -0.04 6.85 6.76 3hyoA1 PRO 228 HA -0.00 0.12 0.50 -0.51 4.44 4.55 3hyoA1 PRO 228 HB2 0.02 -0.11 0.00 -0.04 2.28 2.15 3hyoA1 PRO 228 HB3 0.02 -0.00 0.14 -0.04 2.02 2.13 3hyoA1 PRO 228 HG2 0.03 -0.02 0.10 -0.04 2.03 2.10 3hyoA1 PRO 228 HG3 0.01 0.11 0.12 -0.04 2.03 2.23 3hyoA1 PRO 228 HD2 0.12 0.01 0.20 -0.04 3.68 3.96 3hyoA1 PRO 228 HD3 0.00 0.36 0.29 -0.04 3.65 4.27 3hyoA1 LEU 229 H -0.09 0.16 0.13 -0.55 8.37 8.03 3hyoA1 LEU 229 HA -0.22 0.15 0.32 -0.75 4.35 3.84 3hyoA1 LEU 229 HB2 -0.37 0.13 0.10 -0.04 1.64 1.46 3hyoA1 LEU 229 HB3 -0.32 -0.07 0.12 -0.04 1.64 1.32 3hyoA1 LEU 229 HG -0.89 -0.08 -0.30 -0.04 1.64 0.33 3hyoA1 LEU 229 HD13 -0.39 0.01 -0.05 -0.04 0.93 0.46 3hyoA1 LEU 229 HD23 -0.90 0.02 -0.09 -0.04 0.89 -0.13 3hyoA1 ALA 230 H -0.06 0.09 -0.09 -0.55 8.40 7.80 3hyoA1 ALA 230 HA -0.26 0.04 0.32 -0.75 4.34 3.69 3hyoA1 ALA 230 HB3 0.24 0.01 0.03 -0.04 1.41 1.65 3hyoA1 PRO 231 HA -0.08 0.02 0.51 -0.51 4.44 4.37 3hyoA1 PRO 231 HB2 -0.05 0.10 -0.10 -0.04 2.28 2.19 3hyoA1 PRO 231 HB3 -0.02 0.00 0.06 -0.04 2.02 2.02 3hyoA1 PRO 231 HG2 0.03 0.25 -0.06 -0.04 2.03 2.22 3hyoA1 PRO 231 HG3 0.04 0.04 0.02 -0.04 2.03 2.09 3hyoA1 PRO 231 HD2 -0.02 -0.08 -0.30 -0.04 3.68 3.24 3hyoA1 PRO 231 HD3 0.02 0.08 0.01 -0.04 3.65 3.72 3hyoA1 THR 232 H -0.15 0.51 -0.43 -0.55 8.28 7.66 3hyoA1 THR 232 HA -0.31 0.05 0.48 -0.75 4.39 3.86 3hyoA1 THR 232 HB -0.21 0.12 0.09 -0.04 4.32 4.28 3hyoA1 THR 232 HG23 -0.18 -0.02 -0.16 -0.04 1.22 0.82 3hyoA1 LEU 233 H -0.33 0.62 -0.06 -0.55 8.37 8.06 3hyoA1 LEU 233 HA -0.27 0.01 0.33 -0.75 4.35 3.67 3hyoA1 LEU 233 HB2 -0.56 0.09 0.08 -0.04 1.64 1.20 3hyoA1 LEU 233 HB3 -0.38 -0.06 -0.02 -0.04 1.64 1.13 3hyoA1 LEU 233 HG -0.62 0.20 -0.02 -0.04 1.64 1.16 3hyoA1 LEU 233 HD13 -1.49 -0.02 -0.18 -0.04 0.93 -0.80 3hyoA1 LEU 233 HD23 -0.30 -0.01 -0.11 -0.04 0.89 0.43 3hyoA1 ALA 234 H -0.19 0.45 -0.23 -0.55 8.40 7.89 3hyoA1 ALA 234 HA -0.10 -0.00 0.35 -0.75 4.34 3.83 3hyoA1 ALA 234 HB3 -0.09 0.03 0.08 -0.04 1.41 1.39 3hyoA1 ARG 235 H -0.30 0.57 -0.15 -0.55 8.46 8.02 3hyoA1 ARG 235 HA -0.38 -0.00 0.44 -0.75 4.34 3.64 3hyoA1 ARG 235 HB2 -0.47 0.03 0.10 -0.04 1.90 1.52 3hyoA1 ARG 235 HB3 -0.67 0.12 0.10 -0.04 1.80 1.31 3hyoA1 ARG 235 HG2 -2.19 -0.02 -0.18 -0.04 1.67 -0.76 3hyoA1 ARG 235 HG3 -0.85 -0.07 0.02 -0.04 1.67 0.73 3hyoA1 ARG 235 HD2 -0.81 0.04 -0.04 -0.04 3.22 2.37 3hyoA1 ARG 235 HD3 -0.77 0.03 -0.06 -0.04 3.22 2.37 3hyoA1 ALA 236 H -0.36 0.64 -0.19 -0.55 8.40 7.95 3hyoA1 ALA 236 HA -0.24 0.02 0.32 -0.75 4.34 3.68 3hyoA1 ALA 236 HB3 -0.16 0.01 0.01 -0.04 1.41 1.24 3hyoA1 ASN 237 H -0.15 0.56 -0.28 -0.55 8.53 8.11 3hyoA1 ASN 237 HA -0.03 -0.01 0.44 -0.75 4.76 4.41 3hyoA1 ASN 237 HB2 -0.09 0.17 0.07 -0.04 2.88 2.99 3hyoA1 ASN 237 HB3 -0.05 -0.06 -0.12 -0.04 2.79 2.52 3hyoA1 ASN 237 HD21 -0.11 -0.14 0.02 -0.04 7.03 6.77 3hyoA1 ASN 237 HD22 -0.14 0.66 0.09 -0.04 7.74 8.31 3hyoA1 GLN 238 H -0.09 0.51 -0.15 -0.55 8.47 8.19 3hyoA1 GLN 238 HA 0.03 -0.04 0.43 -0.75 4.36 4.03 3hyoA1 GLN 238 HB2 -0.07 0.15 0.16 -0.04 2.15 2.35 3hyoA1 GLN 238 HB3 0.09 -0.06 0.00 -0.04 2.02 2.01 3hyoA1 GLN 238 HG2 -0.00 -0.09 0.04 -0.04 2.40 2.31 3hyoA1 GLN 238 HG3 -0.06 0.22 0.11 -0.04 2.39 2.62 3hyoA1 GLN 238 HE21 -0.05 -0.04 -0.09 -0.04 6.97 6.75 3hyoA1 GLN 238 HE22 -0.04 -0.02 -0.06 -0.04 7.69 7.53 3hyoA1 TRP 239 H 0.09 0.66 -0.14 -0.55 7.97 8.04 3hyoA1 TRP 239 HA -0.03 -0.00 0.40 -0.75 4.62 4.24 3hyoA1 TRP 239 HB2 -0.04 0.08 0.12 -0.04 3.23 3.36 3hyoA1 TRP 239 HB3 -0.03 -0.08 -0.03 -0.04 3.23 3.05 3hyoA1 TRP 239 HD1 -0.04 -0.09 -0.15 -0.04 7.22 6.91 3hyoA1 TRP 239 HE1 -0.04 -0.02 -0.07 -0.04 10.20 10.03 3hyoA1 TRP 239 HE3 -0.03 -0.05 -0.07 -0.04 7.59 7.39 3hyoA1 TRP 239 HZ2 -0.05 0.05 -0.14 -0.04 7.44 7.26 3hyoA1 TRP 239 HZ3 -0.01 0.03 -0.08 -0.04 7.13 7.02 3hyoA1 TRP 239 HH2 -0.03 0.08 -0.08 -0.04 7.19 7.12 3hyoA1 LEU 240 H 0.13 0.65 -0.16 -0.55 8.37 8.44 3hyoA1 LEU 240 HA 0.07 -0.06 0.39 -0.75 4.35 4.00 3hyoA1 LEU 240 HB2 0.04 0.19 0.21 -0.04 1.64 2.03 3hyoA1 LEU 240 HB3 0.03 -0.07 -0.06 -0.04 1.64 1.50 3hyoA1 LEU 240 HG 0.03 -0.06 -0.04 -0.04 1.64 1.53 3hyoA1 LEU 240 HD13 0.04 0.00 0.03 -0.04 0.93 0.96 3hyoA1 LEU 240 HD23 0.07 -0.01 -0.07 -0.04 0.89 0.84 3hyoA1 ASN 241 H 0.05 0.57 -0.24 -0.55 8.53 8.37 3hyoA1 ASN 241 HA 0.00 -0.03 0.33 -0.75 4.76 4.30 3hyoA1 ASN 241 HB2 0.03 0.09 0.10 -0.04 2.88 3.05 3hyoA1 ASN 241 HB3 0.03 0.13 0.17 -0.04 2.79 3.08 3hyoA1 ASN 241 HD21 0.02 0.38 0.07 -0.04 7.03 7.46 3hyoA1 ASN 241 HD22 0.02 -0.06 -0.05 -0.04 7.74 7.61 3hyoA1 ALA 243 HA -0.06 -0.21 0.32 -0.75 4.34 3.64 3hyoA1 ALA 243 HB3 -0.03 0.04 0.07 -0.04 1.41 1.45 3hyoA1 VAL 244 H -0.07 0.63 -0.66 -0.55 8.24 7.59 3hyoA1 VAL 244 HA -0.34 -0.06 0.54 -0.75 4.13 3.52 3hyoA1 VAL 244 HB -0.12 0.17 0.17 -0.04 2.12 2.29 3hyoA1 VAL 244 HG13 -0.51 -0.03 -0.08 -0.04 0.97 0.31 3hyoA1 VAL 244 HG23 -0.11 0.02 0.02 -0.04 0.95 0.84 3hyoA1 ALA 245 H -0.08 0.71 0.37 -0.55 8.40 8.85 3hyoA1 ALA 245 HA -0.08 0.02 0.43 -0.75 4.34 3.96 3hyoA1 ALA 245 HB3 -0.03 0.02 0.05 -0.04 1.41 1.41 3hyoA1 GLU 246 H -0.07 0.20 -0.27 -0.55 8.60 7.92 3hyoA1 GLU 246 HA -0.04 0.05 0.46 -0.75 4.29 4.01 3hyoA1 GLU 246 HB2 -0.05 0.01 0.06 -0.04 2.09 2.06 3hyoA1 GLU 246 HB3 -0.06 0.14 0.06 -0.04 1.99 2.09 3hyoA1 GLU 246 HG2 -0.04 0.03 -0.18 -0.04 2.34 2.11 3hyoA1 GLU 246 HG3 -0.03 0.04 0.02 -0.04 2.34 2.33 3hyoA1 THR 247 H -0.11 0.58 -0.14 -0.55 8.28 8.06 3hyoA1 THR 247 HA -0.04 -0.04 0.51 -0.75 4.39 4.07 3hyoA1 THR 247 HB -0.32 0.19 0.21 -0.04 4.32 4.36 3hyoA1 THR 247 HG23 0.06 -0.01 -0.07 -0.04 1.22 1.16 3hyoA1 ILE 248 H -0.14 0.56 -0.08 -0.55 8.25 8.04 3hyoA1 ILE 248 HA 0.04 -0.00 0.43 -0.75 4.18 3.90 3hyoA1 ILE 248 HB -0.04 0.11 0.17 -0.04 1.89 2.09 3hyoA1 ILE 248 HG12 0.11 -0.03 0.03 -0.04 1.49 1.57 3hyoA1 ILE 248 HG13 -0.25 0.15 0.09 -0.04 1.21 1.16 3hyoA1 ILE 248 HG23 0.04 -0.02 -0.04 -0.04 0.93 0.86 3hyoA1 ILE 248 HD13 -0.01 -0.01 -0.03 -0.04 0.88 0.79 3hyoA1 ALA 249 H -0.03 0.47 -0.16 -0.55 8.40 8.14 3hyoA1 ALA 249 HA -0.00 0.01 0.36 -0.75 4.34 3.95 3hyoA1 ALA 249 HB3 -0.01 -0.00 0.12 -0.04 1.41 1.48 3hyoA1 GLN 250 H -0.01 0.39 -0.44 -0.55 8.47 7.87 3hyoA1 GLN 250 HA -0.00 0.04 0.49 -0.75 4.36 4.13 3hyoA1 GLN 250 HB2 0.01 0.19 0.13 -0.04 2.15 2.44 3hyoA1 GLN 250 HB3 0.01 -0.10 0.08 -0.04 2.02 1.96 3hyoA1 GLN 250 HG2 -0.01 -0.05 0.02 -0.04 2.40 2.32 3hyoA1 GLN 250 HG3 -0.01 0.28 0.06 -0.04 2.39 2.67 3hyoA1 GLN 250 HE21 -0.01 -0.08 0.02 -0.04 6.97 6.86 3hyoA1 GLN 250 HE22 -0.02 -0.01 -0.01 -0.04 7.69 7.61 3hyoA1 ASN 251 H 0.01 0.49 -0.39 -0.55 8.53 8.10 3hyoA1 ASN 251 HA 0.02 0.04 0.33 -0.75 4.76 4.40 3hyoA1 ASN 251 HB2 0.01 0.07 -0.10 -0.04 2.88 2.82 3hyoA1 ASN 251 HB3 0.01 -0.08 0.15 -0.04 2.79 2.83 3hyoA1 ASN 251 HD21 0.01 -0.06 0.00 -0.04 7.03 6.94 3hyoA1 ASN 251 HD22 0.01 -0.03 -0.06 -0.04 7.74 7.61 3hyoA1 ARG 252 H 0.03 0.12 -0.12 -0.55 8.46 7.94 3hyoA1 ARG 252 HA 0.02 0.06 0.36 -0.75 4.34 4.02 3hyoA1 ARG 252 HB2 0.05 0.02 -0.03 -0.04 1.90 1.90 3hyoA1 ARG 252 HB3 0.03 -0.09 -0.04 -0.04 1.80 1.66 3hyoA1 ARG 252 HG2 0.02 -0.04 0.00 -0.04 1.67 1.62 3hyoA1 ARG 252 HG3 0.03 0.04 -0.08 -0.04 1.67 1.62 3hyoA1 ARG 252 HD2 0.07 0.02 -0.02 -0.04 3.22 3.25 3hyoA1 ARG 252 HD3 0.05 0.05 0.01 -0.04 3.22 3.28 3hyoA1 THR 253 H 0.01 0.11 0.21 -0.55 8.28 8.06 3hyoA1 THR 253 HA 0.01 0.18 0.73 -0.75 4.39 4.55 3hyoA1 THR 253 HB 0.00 -0.02 0.10 -0.04 4.32 4.36 3hyoA1 THR 253 HG23 0.00 0.04 0.05 -0.04 1.22 1.27 3hyoA1 ASP 254 H 0.01 0.08 -0.02 -0.55 8.40 7.93 3hyoA1 ASP 254 HA -0.02 0.17 0.85 -0.75 4.63 4.88 3hyoA1 ASP 254 HB2 0.01 0.05 0.03 -0.04 2.71 2.75 3hyoA1 ASP 254 HB3 0.02 0.01 0.19 -0.04 2.70 2.88 3hyoA1 ASP 255 H -0.03 0.22 0.06 -0.55 8.40 8.11 3hyoA1 ASP 255 HA 0.02 0.20 0.48 -0.75 4.63 4.57 3hyoA1 ASP 255 HB2 -0.03 0.04 0.16 -0.04 2.71 2.84 3hyoA1 ASP 255 HB3 -0.02 0.05 0.03 -0.04 2.70 2.73 3hyoA1 ARG 256 H -0.03 -0.02 -0.47 -0.55 8.46 7.40 3hyoA1 ARG 256 HA 0.06 0.14 0.54 -0.75 4.34 4.32 3hyoA1 ARG 256 HB2 -0.18 -0.04 -0.01 -0.04 1.90 1.62 3hyoA1 ARG 256 HB3 -0.15 -0.02 -0.01 -0.04 1.80 1.57 3hyoA1 ARG 256 HG2 -0.19 0.14 0.03 -0.04 1.67 1.61 3hyoA1 ARG 256 HG3 -0.17 -0.12 -0.06 -0.04 1.67 1.28 3hyoA1 ARG 256 HD2 -1.37 -0.07 -0.25 -0.04 3.22 1.48 3hyoA1 ARG 256 HD3 -0.41 0.12 -0.02 -0.04 3.22 2.86 3hyoA1 GLN 257 H 0.08 0.06 -0.10 -0.55 8.47 7.96 3hyoA1 GLN 257 HA 0.17 -0.01 0.34 -0.75 4.36 4.10 3hyoA1 GLN 257 HB2 0.08 -0.11 0.08 -0.04 2.15 2.16 3hyoA1 GLN 257 HB3 0.07 0.08 0.05 -0.04 2.02 2.18 3hyoA1 GLN 257 HG2 0.04 -0.03 -0.03 -0.04 2.40 2.35 3hyoA1 GLN 257 HG3 0.06 0.28 -0.12 -0.04 2.39 2.56 3hyoA1 GLN 257 HE21 0.03 -0.13 -0.10 -0.04 6.97 6.73 3hyoA1 GLN 257 HE22 0.04 0.14 -0.06 -0.04 7.69 7.77 3hyoA1 GLY 258 H 0.11 0.38 0.24 -0.55 8.43 8.62 3hyoA1 GLY 258 HA2 0.05 -0.01 0.32 -0.51 4.01 3.87 3hyoA1 GLY 258 HA3 0.05 0.07 0.21 -0.51 4.01 3.83 3hyoA1 VAL 259 H 0.03 0.21 0.18 -0.55 8.24 8.11 3hyoA1 VAL 259 HA 0.00 0.00 0.27 -0.75 4.13 3.65 3hyoA1 VAL 259 HB -0.04 0.14 -0.08 -0.04 2.12 2.10 3hyoA1 VAL 259 HG13 -0.03 0.01 -0.05 -0.04 0.97 0.86 3hyoA1 VAL 259 HG23 0.00 -0.02 -0.09 -0.04 0.95 0.80 3hyoA1 ALA 260 H -0.03 0.08 0.18 -0.55 8.40 8.09 3hyoA1 ALA 260 HA -0.01 0.07 0.58 -0.75 4.34 4.23 3hyoA1 ALA 260 HB3 -0.03 -0.01 0.05 -0.04 1.41 1.38 3hyoA1 LEU 261 H -0.03 0.09 0.20 -0.55 8.37 8.09 3hyoA1 LEU 261 HA -0.06 0.26 0.87 -0.75 4.35 4.67 3hyoA1 LEU 261 HB2 -0.03 0.00 0.03 -0.04 1.64 1.60 3hyoA1 LEU 261 HB3 -0.04 0.01 0.07 -0.04 1.64 1.63 3hyoA1 LEU 261 HG -0.01 0.14 -0.14 -0.04 1.64 1.59 3hyoA1 LEU 261 HD13 -0.00 -0.02 0.01 -0.04 0.93 0.88 3hyoA1 LEU 261 HD23 -0.01 0.02 -0.13 -0.04 0.89 0.73 3hyoA1 GLY 262 H -0.05 0.08 0.07 -0.55 8.43 7.99 3hyoA1 GLY 262 HA2 -0.06 0.13 0.35 -0.51 4.01 3.92 3hyoA1 GLY 262 HA3 -0.05 0.08 0.32 -0.51 4.01 3.85 3hyoA1 ASP 263 H -0.07 0.10 -0.09 -0.55 8.40 7.79 3hyoA1 ASP 263 HA -0.09 0.09 0.44 -0.75 4.63 4.31 3hyoA1 ASP 263 HB2 -0.08 0.02 0.04 -0.04 2.71 2.65 3hyoA1 ASP 263 HB3 -0.09 0.08 -0.01 -0.04 2.70 2.65 3hyoA1 LEU 264 H -0.14 0.02 -0.39 -0.55 8.37 7.32 3hyoA1 LEU 264 HA -0.48 0.09 0.43 -0.75 4.35 3.63 3hyoA1 LEU 264 HB2 -0.16 0.10 0.09 -0.04 1.64 1.63 3hyoA1 LEU 264 HB3 -0.15 0.02 0.13 -0.04 1.64 1.60 3hyoA1 LEU 264 HG -0.26 0.03 -0.25 -0.04 1.64 1.12 3hyoA1 LEU 264 HD13 -0.52 -0.00 -0.01 -0.04 0.93 0.36 3hyoA1 LEU 264 HD23 -0.02 0.00 -0.05 -0.04 0.89 0.78 3hyoA1 LEU 265 H -0.16 0.63 -0.02 -0.55 8.37 8.28 3hyoA1 LEU 265 HA -0.18 0.08 0.47 -0.75 4.35 3.97 3hyoA1 LEU 265 HB2 -0.09 0.03 0.15 -0.04 1.64 1.69 3hyoA1 LEU 265 HB3 -0.08 0.01 0.02 -0.04 1.64 1.55 3hyoA1 LEU 265 HG -0.08 0.15 0.03 -0.04 1.64 1.71 3hyoA1 LEU 265 HD13 -0.04 -0.03 -0.06 -0.04 0.93 0.76 3hyoA1 LEU 265 HD23 -0.06 -0.01 -0.13 -0.04 0.89 0.66 3hyoA1 GLN 266 H -0.14 0.46 -0.18 -0.55 8.47 8.07 3hyoA1 GLN 266 HA -0.09 0.03 0.48 -0.75 4.36 4.03 3hyoA1 GLN 266 HB2 -0.08 0.00 0.13 -0.04 2.15 2.16 3hyoA1 GLN 266 HB3 -0.11 0.11 0.17 -0.04 2.02 2.16 3hyoA1 GLN 266 HG2 -0.06 0.01 -0.15 -0.04 2.40 2.17 3hyoA1 GLN 266 HG3 -0.05 -0.01 0.04 -0.04 2.39 2.33 3hyoA1 GLN 266 HE21 -0.04 -0.05 -0.02 -0.04 6.97 6.82 3hyoA1 GLN 266 HE22 -0.06 0.06 0.03 -0.04 7.69 7.67 3hyoA1 ALA 267 H -0.28 0.53 -0.12 -0.55 8.40 7.99 3hyoA1 ALA 267 HA -0.12 -0.02 0.45 -0.75 4.34 3.89 3hyoA1 ALA 267 HB3 -0.55 0.02 0.09 -0.04 1.41 0.92 3hyoA1 ILE 268 H -0.49 0.60 -0.06 -0.55 8.25 7.75 3hyoA1 ILE 268 HA -0.09 0.00 0.53 -0.75 4.18 3.87 3hyoA1 ILE 268 HB -0.20 0.05 0.21 -0.04 1.89 1.91 3hyoA1 ILE 268 HG12 -0.15 -0.01 -0.02 -0.04 1.49 1.27 3hyoA1 ILE 268 HG13 -1.03 0.00 0.04 -0.04 1.21 0.17 3hyoA1 ILE 268 HG23 0.02 0.00 -0.12 -0.04 0.93 0.79 3hyoA1 ILE 268 HD13 -0.15 -0.01 -0.09 -0.04 0.88 0.59 3hyoA1 LEU 269 H -0.10 0.55 -0.09 -0.55 8.37 8.19 3hyoA1 LEU 269 HA -0.01 0.10 0.46 -0.75 4.35 4.14 3hyoA1 LEU 269 HB2 -0.05 0.07 0.20 -0.04 1.64 1.81 3hyoA1 LEU 269 HB3 -0.02 -0.04 0.01 -0.04 1.64 1.55 3hyoA1 LEU 269 HG -0.01 0.03 0.07 -0.04 1.64 1.68 3hyoA1 LEU 269 HD13 -0.03 0.02 0.02 -0.04 0.93 0.90 3hyoA1 LEU 269 HD23 -0.02 -0.04 -0.00 -0.04 0.89 0.79 3hyoA1 ALA 270 H -0.03 0.43 -0.20 -0.55 8.40 8.04 3hyoA1 ALA 270 HA 0.01 0.04 0.43 -0.75 4.34 4.07 3hyoA1 ALA 270 HB3 0.01 -0.01 0.09 -0.04 1.41 1.47 3hyoA1 LEU 271 H 0.08 0.48 -0.15 -0.55 8.37 8.22 3hyoA1 LEU 271 HA 0.11 -0.05 0.44 -0.75 4.35 4.10 3hyoA1 LEU 271 HB2 0.29 -0.05 0.11 -0.04 1.64 1.95 3hyoA1 LEU 271 HB3 0.22 0.15 0.14 -0.04 1.64 2.11 3hyoA1 LEU 271 HG 0.18 0.06 -0.15 -0.04 1.64 1.69 3hyoA1 LEU 271 HD13 0.11 -0.03 0.01 -0.04 0.93 0.98 3hyoA1 LEU 271 HD23 0.16 -0.01 -0.06 -0.04 0.89 0.93 3hyoA1 ASN 272 H 0.06 0.56 -0.15 -0.55 8.53 8.45 3hyoA1 ASN 272 HA 0.06 -0.01 0.39 -0.75 4.76 4.44 3hyoA1 ASN 272 HB2 0.02 0.12 0.16 -0.04 2.88 3.14 3hyoA1 ASN 272 HB3 0.02 -0.10 0.05 -0.04 2.79 2.71 3hyoA1 ASN 272 HD21 0.02 0.47 0.10 -0.04 7.03 7.58 3hyoA1 ASN 272 HD22 0.01 -0.16 0.06 -0.04 7.74 7.61 3hyoA1 GLU 273 H 0.03 0.43 -0.40 -0.55 8.60 8.12 3hyoA1 GLU 273 HA 0.03 0.16 0.14 -0.75 4.29 3.86 3hyoA1 GLU 273 HB2 0.02 0.31 0.26 -0.04 2.09 2.64 3hyoA1 GLU 273 HB3 0.02 -0.15 0.11 -0.04 1.99 1.93 3hyoA1 GLU 273 HG2 0.03 -0.16 0.01 -0.04 2.34 2.18 3hyoA1 GLU 273 HG3 0.04 0.28 -0.09 -0.04 2.34 2.52