#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mb2 s LEU 2 N 0.00 0.24 -0.02 -0.89 2.96 -1.26 -5.11 118.68 114.59 3mb2 s LEU 2 Ca 0.00 -0.07 0.02 0.00 -0.22 0.00 0.00 54.13 53.86 3mb2 s LEU 2 Cb 0.00 -0.19 -0.00 0.00 0.50 0.00 0.00 46.19 46.49 3mb2 s LEU 2 CO 0.00 -0.26 -0.08 -0.22 -1.32 0.00 0.00 176.35 174.46 3mb2 s LEU 3 N 2.14 1.88 -0.03 -0.68 0.20 -1.26 -2.32 118.68 118.61 3mb2 s LEU 3 Ca 0.04 -0.16 0.07 0.00 0.69 0.00 0.00 54.13 54.77 3mb2 s LEU 3 Cb -0.13 -0.47 -0.02 0.00 -0.43 0.00 0.00 46.19 45.14 3mb2 s LEU 3 CO -0.04 0.08 -0.24 -0.76 -0.29 0.00 0.00 176.35 175.09 3mb2 s LEU 4 N 0.03 2.14 -0.14 -0.68 1.43 -0.22 -4.99 118.68 116.24 3mb2 s LEU 4 Ca -0.00 -0.44 0.00 0.00 -1.03 0.00 0.00 54.13 52.66 3mb2 s LEU 4 Cb -0.06 -1.37 0.02 0.00 0.03 0.00 0.00 46.19 44.81 3mb2 s LEU 4 CO -0.00 0.32 -0.13 -0.60 0.23 0.00 0.00 176.35 176.16 3mb2 s ARG 5 N -0.58 2.18 -0.19 1.70 3.52 -1.26 -0.42 118.95 123.89 3mb2 s ARG 5 Ca 0.09 -0.52 -0.10 0.00 -0.13 0.00 0.00 55.73 55.08 3mb2 s ARG 5 Cb -0.10 -2.00 -0.05 0.00 -1.56 0.00 0.00 34.95 31.24 3mb2 s ARG 5 CO -0.00 -0.21 0.13 0.42 -0.81 0.00 0.00 175.30 174.82 3mb2 s ILE 6 N 1.43 5.39 -0.12 4.11 1.01 -0.17 -4.97 121.20 127.87 3mb2 s ILE 6 Ca 0.03 0.18 0.00 0.00 0.00 0.00 0.00 60.65 60.86 3mb2 s ILE 6 Cb -0.13 -3.45 -0.02 0.00 0.01 0.00 0.00 42.46 38.87 3mb2 s ILE 6 CO -0.09 0.45 -0.14 -0.89 0.00 0.00 0.00 174.94 174.28 3mb2 s THR 7 N 0.26 3.01 -0.10 2.92 2.01 -1.26 0.25 115.64 122.72 3mb2 s THR 7 Ca 0.08 -0.68 -0.18 0.00 0.31 0.00 0.00 61.69 61.22 3mb2 s THR 7 Cb -0.11 -2.25 0.04 0.00 0.01 0.00 0.00 72.50 70.19 3mb2 s THR 7 CO -0.01 0.53 0.45 -0.32 -0.69 0.00 0.00 174.62 174.58 3mb2 s MET 8 N 0.25 0.67 0.35 4.92 0.00 -0.64 -5.00 119.30 119.85 3mb2 s MET 8 Ca -0.09 0.31 -0.28 0.00 0.00 0.00 0.00 55.69 55.62 3mb2 s MET 8 Cb -0.16 0.32 -0.10 0.00 0.00 0.00 0.00 34.83 34.89 3mb2 s MET 8 CO 0.05 -0.15 1.33 -0.51 0.00 0.00 0.00 175.02 175.75 3mb2 s LEU 9 N -0.51 4.38 0.69 4.11 1.43 -1.26 -1.31 118.68 126.21 3mb2 s LEU 9 Ca -0.06 2.73 -0.17 0.00 -1.03 0.00 0.00 54.13 55.61 3mb2 s LEU 9 Cb -0.03 -3.68 -0.03 0.00 0.03 0.00 0.00 46.19 42.47 3mb2 s LEU 9 CO 0.03 -0.62 0.75 -0.62 0.23 0.00 0.00 176.35 176.12 3mb2 n GLU 10 N 0.66 0.48 0.00 1.70 1.02 0.03 -4.44 120.64 120.10 3mb2 n GLU 10 Ca 0.01 0.21 0.00 0.00 -0.02 0.00 0.00 57.16 57.35 3mb2 n GLU 10 Cb 0.42 -2.00 0.00 0.00 -0.02 0.00 0.00 31.44 29.84 3mb2 n GLU 10 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3mb2 n GLY 11 N 1.42 1.32 3.89 0.62 0.00 -1.26 -4.91 105.19 106.27 3mb2 n GLY 11 Ca 0.12 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.85 3mb2 n GLY 11 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3mb2 s ARG 12 N 0.00 3.67 0.81 1.61 3.00 -1.26 -5.07 118.95 121.71 3mb2 s ARG 12 Ca 0.00 0.37 -0.12 0.00 0.00 0.00 0.00 55.73 55.98 3mb2 s ARG 12 Cb 0.00 -2.37 0.08 0.00 0.00 0.00 0.00 34.95 32.65 3mb2 s ARG 12 CO 0.00 -0.13 1.13 -1.54 0.00 0.00 0.00 175.30 174.77 3mb2 s SER 13 N -3.59 4.45 0.10 0.23 1.04 -1.26 -4.92 113.70 109.76 3mb2 s SER 13 Ca 0.50 1.02 -0.03 0.00 0.48 0.00 0.00 55.95 57.91 3mb2 s SER 13 Cb -0.10 -1.66 -0.19 0.00 0.10 0.00 0.00 66.02 64.17 3mb2 s SER 13 CO 0.38 -1.97 1.22 0.71 0.98 0.00 0.00 173.24 174.56 3mb2 h THR 14 N -1.09 1.47 -0.49 2.02 1.35 -1.99 -2.05 112.91 112.12 3mb2 h THR 14 Ca -0.47 -2.83 0.07 0.00 -0.55 0.00 0.00 66.41 62.63 3mb2 h THR 14 Cb 1.30 2.73 -0.06 0.00 -1.73 0.00 0.00 68.15 70.39 3mb2 h THR 14 CO 0.63 0.83 0.18 -0.33 -0.25 0.00 0.00 175.52 176.58 3mb2 h GLU 15 N 0.12 0.34 -0.52 4.72 5.08 -1.99 -1.82 114.58 120.51 3mb2 h GLU 15 Ca -0.10 -0.02 0.03 0.00 -1.00 0.00 0.00 59.36 58.27 3mb2 h GLU 15 Cb 1.79 -0.08 -0.04 0.00 0.50 0.00 0.00 28.75 30.93 3mb2 h GLU 15 CO 0.18 0.23 0.30 1.96 -1.00 0.00 0.00 179.01 180.68 3mb2 h GLN 16 N 0.35 0.57 -0.44 2.33 4.20 -1.89 -1.02 115.11 119.22 3mb2 h GLN 16 Ca 0.24 -0.03 -0.13 0.00 0.06 0.00 0.00 58.65 58.79 3mb2 h GLN 16 Cb 0.25 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 27.89 3mb2 h GLN 16 CO -0.24 0.38 -0.22 0.87 -0.67 0.00 0.00 178.83 178.95 3mb2 h LYS 17 N 0.59 0.92 -0.54 1.46 1.57 -1.07 -2.21 116.57 117.29 3mb2 h LYS 17 Ca 0.22 -0.41 -0.08 0.00 -1.87 0.00 0.00 60.65 58.52 3mb2 h LYS 17 Cb 0.06 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.33 3mb2 h LYS 17 CO -0.12 1.06 0.03 0.00 -0.57 0.00 0.00 179.45 179.85 3mb2 h ALA 18 N 0.83 1.03 -0.25 3.86 0.00 -1.20 -1.77 119.26 121.77 3mb2 h ALA 18 Ca 0.10 -0.27 -0.08 0.00 0.00 0.00 0.00 54.91 54.65 3mb2 h ALA 18 Cb 0.79 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 3mb2 h ALA 18 CO 0.07 0.61 -0.21 1.49 0.00 0.00 0.00 179.25 181.21 3mb2 h GLU 19 N 0.84 0.46 -0.20 0.00 4.57 -0.83 0.40 114.58 119.82 3mb2 h GLU 19 Ca 0.16 -0.15 -0.11 0.00 -1.18 0.00 0.00 59.36 58.08 3mb2 h GLU 19 Cb 0.46 -0.04 -0.00 0.00 -0.16 0.00 0.00 28.75 29.01 3mb2 h GLU 19 CO 0.02 0.64 -0.29 1.25 -1.18 0.00 0.00 179.01 179.45 3mb2 h LEU 20 N 0.41 0.59 -0.45 1.64 5.85 -1.12 0.15 115.31 122.38 3mb2 h LEU 20 Ca 0.07 -0.52 -0.02 0.00 0.84 0.00 0.00 57.88 58.25 3mb2 h LEU 20 Cb 0.59 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.43 3mb2 h LEU 20 CO 0.04 1.00 0.20 0.00 -0.34 0.00 0.00 178.44 179.34 3mb2 h ALA 21 N 0.61 0.58 -0.08 1.25 0.00 -1.13 -1.07 119.26 119.42 3mb2 h ALA 21 Ca 0.02 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 3mb2 h ALA 21 Cb 0.87 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.48 3mb2 h ALA 21 CO 0.07 0.16 0.00 -0.09 0.00 0.00 0.00 179.25 179.39 3mb2 h ARG 22 N 0.59 0.15 -0.40 0.00 2.43 -0.59 -2.51 114.38 114.05 3mb2 h ARG 22 Ca 0.15 -0.05 -0.14 0.00 -0.81 0.00 0.00 59.98 59.14 3mb2 h ARG 22 Cb 0.14 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.67 3mb2 h ARG 22 CO -0.02 0.41 -0.29 0.00 -1.51 0.00 0.00 179.97 178.56 3mb2 h ALA 23 N 0.73 0.72 -0.02 2.80 0.00 -0.60 -1.81 119.26 121.08 3mb2 h ALA 23 Ca 0.02 -0.41 -0.22 0.00 0.00 0.00 0.00 54.91 54.30 3mb2 h ALA 23 Cb 0.34 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.99 3mb2 h ALA 23 CO 0.00 0.66 -0.91 -0.07 0.00 0.00 0.00 179.25 178.93 3mb2 h LEU 24 N 0.74 0.56 -0.20 0.00 3.38 -1.30 0.10 115.31 118.60 3mb2 h LEU 24 Ca 0.08 -0.44 0.00 0.00 0.09 0.00 0.00 57.88 57.62 3mb2 h LEU 24 Cb 0.85 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.42 3mb2 h LEU 24 CO 0.07 1.23 0.13 0.28 0.09 0.00 0.00 178.44 180.24 3mb2 h SER 25 N 0.26 0.24 -0.50 -0.43 0.02 -1.37 -0.25 113.55 111.51 3mb2 h SER 25 Ca -0.07 -0.02 -0.07 0.00 -0.84 0.00 0.00 61.79 60.78 3mb2 h SER 25 Cb 1.54 -0.06 -0.02 0.00 0.14 0.00 0.00 62.40 64.00 3mb2 h SER 25 CO 0.16 0.19 0.04 0.00 -1.14 0.00 0.00 176.83 176.08 3mb2 h ALA 26 N 1.06 1.04 -0.71 3.77 0.00 -1.17 -1.89 119.26 121.36 3mb2 h ALA 26 Ca 0.07 -0.26 -0.06 0.00 0.00 0.00 0.00 54.91 54.66 3mb2 h ALA 26 Cb -0.01 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.53 3mb2 h ALA 26 CO -0.02 0.61 0.19 0.00 0.00 0.00 0.00 179.25 180.03 3mb2 h ALA 27 N 1.19 1.01 -0.08 0.00 0.00 -0.52 -1.98 119.26 118.88 3mb2 h ALA 27 Ca 0.17 -0.23 -0.07 0.00 0.00 0.00 0.00 54.91 54.78 3mb2 h ALA 27 Cb 0.44 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.96 3mb2 h ALA 27 CO 0.02 0.65 -0.21 0.00 0.00 0.00 0.00 179.25 179.71 3mb2 h ALA 28 N 1.15 0.13 -0.69 0.00 0.00 -0.91 0.17 119.26 119.10 3mb2 h ALA 28 Ca 0.23 -0.38 0.15 0.00 0.00 0.00 0.00 54.91 54.90 3mb2 h ALA 28 Cb 0.34 -0.02 -0.11 0.00 0.00 0.00 0.00 17.79 18.00 3mb2 h ALA 28 CO -0.00 0.09 0.07 0.00 0.00 0.00 0.00 179.25 179.41 3mb2 h ALA 29 N 0.48 0.78 -0.08 0.00 0.00 -1.36 0.96 119.26 120.03 3mb2 h ALA 29 Ca -0.00 0.19 -0.07 0.00 0.00 0.00 0.00 54.91 55.02 3mb2 h ALA 29 Cb 0.82 0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.92 3mb2 h ALA 29 CO 0.05 -0.38 -0.24 0.00 0.00 0.00 0.00 179.25 178.68 3mb2 h ALA 30 N 1.61 0.14 -0.71 0.00 0.00 -1.19 -1.67 119.26 117.44 3mb2 h ALA 30 Ca 0.38 -0.40 -0.07 0.00 0.00 0.00 0.00 54.91 54.82 3mb2 h ALA 30 Cb 0.64 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.39 3mb2 h ALA 30 CO -0.55 0.12 0.17 0.00 0.00 0.00 0.00 179.25 178.99 3mb2 h ALA 31 N 0.46 0.94 -0.72 0.00 0.00 -0.79 -3.08 119.26 116.07 3mb2 h ALA 31 Ca -0.01 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.65 3mb2 h ALA 31 Cb 0.86 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.38 3mb2 h ALA 31 CO 0.05 0.67 0.00 1.19 0.00 0.00 0.00 179.25 181.16 3mb2 n PHE 32 N -4.23 1.13 -3.95 0.00 0.99 0.32 -4.97 117.46 106.74 3mb2 n PHE 32 Ca 0.05 -0.52 -0.27 0.00 -0.00 0.00 0.00 57.45 56.71 3mb2 n PHE 32 Cb 0.26 -0.07 -0.02 0.00 -1.00 0.00 0.00 39.48 38.66 3mb2 n PHE 32 CO 0.00 0.00 0.00 -0.25 -0.00 0.00 0.00 176.76 176.51 3mb2 n ASP 33 N 1.52 -0.91 -4.26 4.37 9.92 -0.68 -5.01 116.55 121.51 3mb2 n ASP 33 Ca 0.25 -1.04 -0.26 0.00 -0.53 0.00 0.00 54.79 53.21 3mb2 n ASP 33 Cb 0.69 -2.93 -0.14 0.00 -0.64 0.00 0.00 41.12 38.10 3mb2 n ASP 33 CO 0.00 0.00 0.00 0.68 0.13 0.00 0.00 177.20 178.01 3mb2 s VAL 34 N -3.92 1.70 0.21 2.53 -7.23 -0.89 -5.06 120.40 107.73 3mb2 s VAL 34 Ca 0.07 -1.20 -0.32 0.00 -1.81 0.00 0.00 61.98 58.72 3mb2 s VAL 34 Cb -0.03 -1.47 -0.13 0.00 0.56 0.00 0.00 36.38 35.30 3mb2 s VAL 34 CO 0.90 0.23 1.52 -2.65 -0.31 0.00 0.00 175.10 174.78 3mb2 n PRO 35 N 1.87 2.21 -0.33 4.82 -0.02 -1.26 -4.51 135.00 137.78 3mb2 n PRO 35 Ca -0.17 0.79 0.14 0.00 -2.02 0.00 0.00 63.50 62.24 3mb2 n PRO 35 Cb 0.53 -2.52 0.29 0.00 -0.02 0.00 0.00 33.50 31.78 3mb2 n PRO 35 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 3mb2 h LEU 36 N 5.12 -0.42 -1.80 2.45 5.85 -1.92 -1.44 115.31 123.15 3mb2 h LEU 36 Ca -0.45 0.27 0.00 0.00 0.84 0.00 0.00 57.88 58.54 3mb2 h LEU 36 Cb 1.26 0.46 0.00 0.00 0.37 0.00 0.00 40.66 42.74 3mb2 h LEU 36 CO 0.83 -0.33 0.00 0.00 -0.34 0.00 0.00 178.44 178.59 3mb2 h ALA 37 N 1.95 1.00 0.00 1.25 0.00 -1.99 -2.16 119.26 119.31 3mb2 h ALA 37 Ca 0.59 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.50 3mb2 h ALA 37 Cb 1.21 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.00 3mb2 h ALA 37 CO -0.88 0.00 -0.87 0.39 0.00 0.00 0.00 179.25 177.89 3mb2 n GLU 38 N -2.46 0.32 -2.58 0.00 1.02 -0.54 -4.93 120.64 111.47 3mb2 n GLU 38 Ca -0.02 0.04 -0.43 0.00 -0.02 0.00 0.00 57.16 56.74 3mb2 n GLU 38 Cb 0.05 -1.65 -0.02 0.00 -0.02 0.00 0.00 31.44 29.80 3mb2 n GLU 38 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3mb2 s VAL 39 N -3.20 4.54 0.13 2.62 1.01 -0.82 -4.44 120.40 120.24 3mb2 s VAL 39 Ca 0.04 1.84 0.03 0.00 0.00 0.00 0.00 61.98 63.89 3mb2 s VAL 39 Cb 0.14 -4.19 -0.04 0.00 0.00 0.00 0.00 36.38 32.29 3mb2 s VAL 39 CO 0.77 -0.09 0.21 -0.13 0.00 0.00 0.00 175.10 175.86 3mb2 s ARG 40 N 2.77 3.24 -0.11 2.72 3.00 -0.98 -5.04 118.95 124.54 3mb2 s ARG 40 Ca 0.50 -0.66 -0.09 0.00 0.00 0.00 0.00 55.73 55.48 3mb2 s ARG 40 Cb -0.19 -2.86 0.03 0.00 0.00 0.00 0.00 34.95 31.93 3mb2 s ARG 40 CO 0.14 0.53 0.29 -1.17 0.00 0.00 0.00 175.30 175.09 3mb2 s LEU 41 N -3.01 0.71 -0.02 2.53 1.98 -1.25 -1.06 118.68 118.55 3mb2 s LEU 41 Ca 0.33 0.60 0.06 0.00 -2.89 0.00 0.00 54.13 52.22 3mb2 s LEU 41 Cb -0.11 0.96 -0.01 0.00 0.66 0.00 0.00 46.19 47.69 3mb2 s LEU 41 CO 0.26 -0.12 -0.19 -0.63 -1.89 0.00 0.00 176.35 173.78 3mb2 s ILE 42 N 0.50 1.51 -0.13 6.68 1.01 0.44 -4.97 121.20 126.24 3mb2 s ILE 42 Ca -0.03 -0.81 -0.00 0.00 0.00 0.00 0.00 60.65 59.81 3mb2 s ILE 42 Cb -0.04 -1.26 -0.02 0.00 0.01 0.00 0.00 42.46 41.15 3mb2 s ILE 42 CO -0.03 0.43 -0.12 -0.63 0.00 0.00 0.00 174.94 174.59 3mb2 s ILE 43 N -0.36 3.13 -0.12 2.92 1.01 -1.26 -1.00 121.20 125.52 3mb2 s ILE 43 Ca 0.05 -0.64 0.03 0.00 0.00 0.00 0.00 60.65 60.10 3mb2 s ILE 43 Cb -0.08 -2.31 0.00 0.00 0.01 0.00 0.00 42.46 40.08 3mb2 s ILE 43 CO -0.00 0.53 -0.23 -1.10 0.00 0.00 0.00 174.94 174.14 3mb2 s GLN 44 N 0.26 3.01 0.03 2.79 -0.21 0.14 -4.95 119.66 120.73 3mb2 s GLN 44 Ca -0.09 -0.86 -0.01 0.00 0.02 0.00 0.00 55.36 54.43 3mb2 s GLN 44 Cb -0.15 -2.35 -0.04 0.00 1.00 0.00 0.00 33.01 31.47 3mb2 s GLN 44 CO 0.05 0.09 0.17 -1.21 -2.12 0.00 0.00 175.29 172.27 3mb2 s GLU 45 N 0.56 3.34 0.05 2.91 2.02 -1.26 -1.63 118.70 124.69 3mb2 s GLU 45 Ca -0.13 -0.43 0.02 0.00 0.02 0.00 0.00 54.97 54.44 3mb2 s GLU 45 Cb -0.17 -3.01 -0.03 0.00 0.10 0.00 0.00 34.13 31.03 3mb2 s GLU 45 CO 0.04 0.63 -0.07 0.14 0.02 0.00 0.00 175.26 176.02 3mb2 s VAL 46 N -1.40 0.50 0.72 2.63 -7.23 -0.42 -4.87 120.40 110.33 3mb2 s VAL 46 Ca 0.30 -1.18 -0.11 0.00 -1.81 0.00 0.00 61.98 59.19 3mb2 s VAL 46 Cb -0.13 -0.72 0.03 0.00 0.56 0.00 0.00 36.38 36.12 3mb2 s VAL 46 CO 0.23 -0.47 1.07 -2.16 -0.31 0.00 0.00 175.10 173.46 3mb2 s PRO 47 N -1.89 2.68 0.61 4.82 0.04 -1.26 -0.79 135.00 139.21 3mb2 s PRO 47 Ca -0.08 0.99 0.28 0.00 0.04 0.00 0.00 61.00 62.24 3mb2 s PRO 47 Cb -0.08 -1.96 1.48 0.00 0.04 0.00 0.00 34.50 33.99 3mb2 s PRO 47 CO -0.01 -1.29 1.88 -1.35 0.04 0.00 0.00 177.00 176.27 3mb2 h PRO 48 N -0.86 0.00 0.00 0.56 0.11 -1.93 -1.23 132.00 128.65 3mb2 h PRO 48 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 3mb2 h PRO 48 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 3mb2 h PRO 48 CO 0.55 0.00 0.00 0.25 -0.21 0.00 0.00 178.00 178.59 3mb2 n THR 49 N -3.45 0.08 -0.00 -1.15 -2.24 -1.26 -2.87 114.28 103.39 3mb2 n THR 49 Ca 0.05 0.02 0.00 0.00 -2.27 0.00 0.00 64.05 61.86 3mb2 n THR 49 Cb 0.60 -0.55 0.01 0.00 -2.10 0.00 0.00 70.33 68.29 3mb2 n THR 49 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 3mb2 n HIS 50 N -1.41 0.02 -4.01 4.78 8.25 -0.47 -4.85 115.22 117.54 3mb2 n HIS 50 Ca 0.10 -0.43 -0.30 0.00 -0.26 0.00 0.00 57.72 56.83 3mb2 n HIS 50 Cb 0.28 -0.04 -0.16 0.00 1.12 0.00 0.00 29.99 31.18 3mb2 n HIS 50 CO 0.00 0.00 0.00 -0.46 0.64 0.00 0.00 176.34 176.52 3mb2 s TRP 51 N -0.87 2.17 -0.04 4.41 -0.11 -1.24 -4.93 118.94 118.34 3mb2 s TRP 51 Ca 0.01 -1.26 0.05 0.00 1.22 0.00 0.00 56.10 56.12 3mb2 s TRP 51 Cb 0.01 -1.58 -0.01 0.00 -1.50 0.00 0.00 33.47 30.39 3mb2 s TRP 51 CO 0.01 -0.67 -0.19 0.99 -4.62 0.00 0.00 176.95 172.47 3mb2 s THR 52 N 1.49 1.53 -0.05 5.86 2.01 -1.26 -1.41 115.64 123.80 3mb2 s THR 52 Ca 0.04 -0.79 0.03 0.00 0.31 0.00 0.00 61.69 61.28 3mb2 s THR 52 Cb -0.13 -1.30 0.01 0.00 0.01 0.00 0.00 72.50 71.08 3mb2 s THR 52 CO -0.10 0.44 -0.13 0.54 -0.69 0.00 0.00 174.62 174.68 3mb2 s VAL 53 N -0.11 1.16 -1.41 3.82 0.11 0.09 -4.74 120.40 119.32 3mb2 s VAL 53 Ca -0.01 -0.52 -0.07 0.00 -2.93 0.00 0.00 61.98 58.45 3mb2 s VAL 53 Cb -0.11 -1.04 0.04 0.00 -1.53 0.00 0.00 36.38 33.75 3mb2 s VAL 53 CO 0.02 0.35 0.56 0.61 -3.33 0.00 0.00 175.10 173.31 3mb2 n GLY 54 N 3.55 -0.50 2.12 6.54 0.00 -1.26 -2.04 105.19 113.59 3mb2 n GLY 54 Ca -0.21 0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.92 3mb2 n GLY 54 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3mb2 n GLY 55 N -1.35 2.19 3.37 -0.02 0.00 -1.26 -5.02 105.19 103.10 3mb2 n GLY 55 Ca -0.06 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.63 3mb2 n GLY 55 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3mb2 s ILE 56 N -2.51 2.98 0.64 -0.61 -1.09 -0.86 -5.03 121.20 114.72 3mb2 s ILE 56 Ca 0.00 -0.70 -0.16 0.00 -2.23 0.00 0.00 60.65 57.56 3mb2 s ILE 56 Cb 0.00 -2.23 -0.01 0.00 -1.58 0.00 0.00 42.46 38.64 3mb2 s ILE 56 CO 0.00 0.53 1.14 -0.94 -1.23 0.00 0.00 174.94 174.45 3mb2 s SER 57 N 0.25 5.04 0.38 3.58 1.04 -1.26 -0.73 113.70 121.99 3mb2 s SER 57 Ca -0.09 2.15 0.12 0.00 0.48 0.00 0.00 55.95 58.60 3mb2 s SER 57 Cb -0.16 -2.57 0.91 0.00 0.10 0.00 0.00 66.02 64.31 3mb2 s SER 57 CO 0.05 -1.68 1.87 0.24 0.98 0.00 0.00 173.24 174.70 3mb2 h MET 58 N 0.28 0.57 -5.89 4.02 2.86 -1.09 -3.34 114.93 112.34 3mb2 h MET 58 Ca -0.48 -0.03 -0.51 0.00 -2.06 0.00 0.00 59.70 56.61 3mb2 h MET 58 Cb 1.27 -0.13 -0.01 0.00 0.06 0.00 0.00 31.60 32.79 3mb2 h MET 58 CO 0.54 0.38 1.48 0.00 1.06 0.00 0.00 176.91 180.36 3mb2 s ALA 59 N -5.59 2.17 0.00 6.32 0.00 -1.22 -5.05 121.76 118.39 3mb2 s ALA 59 Ca -0.09 0.03 0.00 0.00 0.00 0.00 0.00 51.96 51.90 3mb2 s ALA 59 Cb 0.22 -4.23 0.00 0.00 0.00 0.00 0.00 23.12 19.11 3mb2 s ALA 59 CO 0.78 -3.71 0.00 0.39 0.00 0.00 0.00 175.76 173.22