#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 -0.08 -0.04 -0.89 2.96 -1.26 -5.12 118.68 114.25 3mb2 s LEU 2 Ca 0.00 0.03 0.03 0.00 -0.22 0.00 0.00 54.13 53.97 3mb2 s LEU 2 Cb 0.00 0.32 0.01 0.00 0.50 0.00 0.00 46.19 47.02 3mb2 s LEU 2 CO 0.00 -0.29 -0.12 -0.22 -1.32 0.00 0.00 176.35 174.40 3mb2 s LEU 3 N 2.31 1.75 0.00 -0.68 0.20 -1.26 -2.37 118.68 118.64 3mb2 s LEU 3 Ca 0.04 -0.26 0.06 0.00 0.69 0.00 0.00 54.13 54.66 3mb2 s LEU 3 Cb -0.14 -0.74 -0.03 0.00 -0.43 0.00 0.00 46.19 44.85 3mb2 s LEU 3 CO -0.09 0.07 -0.17 -0.76 -0.29 0.00 0.00 176.35 175.11 3mb2 s LEU 4 N 0.33 2.61 -0.08 -0.68 1.43 0.23 -4.99 118.68 117.53 3mb2 s LEU 4 Ca -0.07 -0.35 0.01 0.00 -1.03 0.00 0.00 54.13 52.69 3mb2 s LEU 4 Cb -0.12 -1.52 0.02 0.00 0.03 0.00 0.00 46.19 44.60 3mb2 s LEU 4 CO 0.02 0.29 -0.09 -0.60 0.23 0.00 0.00 176.35 176.20 3mb2 s ARG 5 N -1.13 1.50 -0.16 1.70 3.52 -1.26 -0.40 118.95 122.72 3mb2 s ARG 5 Ca 0.13 -0.30 -0.05 0.00 -0.13 0.00 0.00 55.73 55.38 3mb2 s ARG 5 Cb -0.10 -1.39 -0.03 0.00 -1.56 0.00 0.00 34.95 31.87 3mb2 s ARG 5 CO 0.03 -0.10 -0.00 0.42 -0.81 0.00 0.00 175.30 174.84 3mb2 s ILE 6 N 1.10 4.23 -0.14 4.11 1.01 0.34 -4.96 121.20 126.89 3mb2 s ILE 6 Ca -0.07 -0.24 0.00 0.00 0.00 0.00 0.00 60.65 60.35 3mb2 s ILE 6 Cb -0.14 -2.87 -0.01 0.00 0.01 0.00 0.00 42.46 39.45 3mb2 s ILE 6 CO -0.01 0.49 -0.15 -0.89 0.00 0.00 0.00 174.94 174.38 3mb2 s THR 7 N 0.26 2.73 0.24 2.92 2.01 -1.26 0.76 115.64 123.30 3mb2 s THR 7 Ca -0.00 -0.76 -0.17 0.00 0.31 0.00 0.00 61.69 61.07 3mb2 s THR 7 Cb -0.13 -2.15 0.02 0.00 0.01 0.00 0.00 72.50 70.25 3mb2 s THR 7 CO 0.02 0.52 0.58 0.00 -0.69 0.00 0.00 174.62 175.04 3mb2 s MET 8 N 0.66 1.56 0.37 4.92 0.00 -0.55 -4.98 119.30 121.29 3mb2 s MET 8 Ca -0.08 -1.02 -0.26 0.00 0.00 0.00 0.00 55.69 54.33 3mb2 s MET 8 Cb -0.16 0.54 -0.09 0.00 0.00 0.00 0.00 34.83 35.12 3mb2 s MET 8 CO 0.02 -0.68 1.13 -0.51 0.00 0.00 0.00 175.02 174.99 3mb2 s LEU 9 N -2.93 4.28 0.56 0.18 2.01 -1.26 -1.22 118.68 120.30 3mb2 s LEU 9 Ca 0.14 2.28 -0.19 0.00 0.01 0.00 0.00 54.13 56.36 3mb2 s LEU 9 Cb -0.03 -3.94 -0.07 0.00 0.01 0.00 0.00 46.19 42.16 3mb2 s LEU 9 CO 0.04 -0.50 0.85 -0.62 1.01 0.00 0.00 176.35 177.13 3mb2 n GLU 10 N 0.35 0.86 0.00 1.70 1.02 -0.06 -4.48 120.64 120.02 3mb2 n GLU 10 Ca 0.03 0.33 0.00 0.00 -0.02 0.00 0.00 57.16 57.50 3mb2 n GLU 10 Cb 0.46 -2.01 0.00 0.00 -0.02 0.00 0.00 31.44 29.87 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 1.41 1.42 3.90 0.62 0.00 -1.26 -4.90 105.19 106.38 3mb2 n GLY 11 Ca 0.12 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.86 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 3.39 0.74 1.61 1.81 -1.26 -5.06 118.95 120.18 3mb2 s ARG 12 Ca 0.00 0.35 -0.11 0.00 -1.72 0.00 0.00 55.73 54.25 3mb2 s ARG 12 Cb 0.00 -2.24 0.05 0.00 -0.45 0.00 0.00 34.95 32.31 3mb2 s ARG 12 CO 0.00 -0.48 1.11 -1.54 -0.68 0.00 0.00 175.30 173.71 3mb2 s SER 13 N -4.19 4.93 0.23 0.23 1.04 -1.26 -4.91 113.70 109.77 3mb2 s SER 13 Ca 0.52 0.83 0.12 0.00 0.48 0.00 0.00 55.95 57.90 3mb2 s SER 13 Cb -0.11 -1.48 0.05 0.00 0.10 0.00 0.00 66.02 64.58 3mb2 s SER 13 CO 0.48 -1.62 1.43 0.71 0.98 0.00 0.00 173.24 175.22 3mb2 h THR 14 N -0.79 1.19 -0.19 2.02 1.35 -1.99 -2.06 112.91 112.44 3mb2 h THR 14 Ca -0.45 -2.56 -0.14 0.00 -0.55 0.00 0.00 66.41 62.71 3mb2 h THR 14 Cb 1.30 2.51 -0.01 0.00 -1.73 0.00 0.00 68.15 70.22 3mb2 h THR 14 CO 0.64 0.65 -0.48 1.05 -0.25 0.00 0.00 175.52 177.13 3mb2 h GLU 15 N 0.00 0.49 -0.82 4.72 9.09 -1.99 -1.78 114.58 124.30 3mb2 h GLU 15 Ca -0.01 -0.28 -0.04 0.00 0.05 0.00 0.00 59.36 59.09 3mb2 h GLU 15 Cb 1.45 0.02 -0.04 0.00 -1.65 0.00 0.00 28.75 28.54 3mb2 h GLU 15 CO 0.09 0.87 0.37 1.96 0.05 0.00 0.00 179.01 182.34 3mb2 h GLN 16 N 0.39 1.19 -0.49 1.06 4.20 -1.87 -1.29 115.11 118.31 3mb2 h GLN 16 Ca 0.02 -0.19 -0.13 0.00 0.06 0.00 0.00 58.65 58.41 3mb2 h GLN 16 Cb 0.99 -0.21 -0.01 0.00 0.30 0.00 0.00 27.48 28.55 3mb2 h GLN 16 CO 0.09 0.94 -0.19 0.87 -0.67 0.00 0.00 178.83 179.87 3mb2 h LYS 17 N 1.17 0.98 -0.18 1.46 1.57 -1.11 -1.91 116.57 118.55 3mb2 h LYS 17 Ca 0.28 -0.40 -0.17 0.00 -1.87 0.00 0.00 60.65 58.49 3mb2 h LYS 17 Cb 0.16 -0.04 -0.00 0.00 0.08 0.00 0.00 32.23 32.42 3mb2 h LYS 17 CO -0.03 1.07 -0.58 0.00 -0.57 0.00 0.00 179.45 179.34 3mb2 h ALA 18 N 0.92 0.65 -0.46 3.86 0.00 -1.22 -1.94 119.26 121.07 3mb2 h ALA 18 Ca 0.12 -0.53 -0.09 0.00 0.00 0.00 0.00 54.91 54.41 3mb2 h ALA 18 Cb 0.76 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 3mb2 h ALA 18 CO 0.06 0.70 -0.08 1.49 0.00 0.00 0.00 179.25 181.42 3mb2 h GLU 19 N 0.44 0.82 -0.45 0.00 4.57 -0.98 -1.02 114.58 117.96 3mb2 h GLU 19 Ca 0.00 -0.26 0.00 0.00 -1.18 0.00 0.00 59.36 57.93 3mb2 h GLU 19 Cb 1.13 -0.07 -0.02 0.00 -0.16 0.00 0.00 28.75 29.63 3mb2 h GLU 19 CO 0.11 0.87 0.30 -0.07 -1.18 0.00 0.00 179.01 179.04 3mb2 h LEU 20 N 0.74 0.52 -0.78 1.64 4.07 -1.17 0.92 115.31 121.25 3mb2 h LEU 20 Ca 0.13 -0.01 -0.11 0.00 0.08 0.00 0.00 57.88 57.97 3mb2 h LEU 20 Cb 0.56 -0.13 -0.01 0.00 1.08 0.00 0.00 40.66 42.16 3mb2 h LEU 20 CO 0.03 0.38 -0.21 0.00 -1.08 0.00 0.00 178.44 177.56 3mb2 h ALA 21 N 1.16 0.96 -0.04 1.53 0.00 -1.12 -1.53 119.26 120.23 3mb2 h ALA 21 Ca 0.16 -0.35 -0.03 0.00 0.00 0.00 0.00 54.91 54.69 3mb2 h ALA 21 Cb -0.07 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.57 3mb2 h ALA 21 CO -0.04 0.60 -0.09 -0.09 0.00 0.00 0.00 179.25 179.64 3mb2 h ARG 22 N 0.61 0.12 -0.05 0.00 2.43 -0.80 -2.78 114.38 113.92 3mb2 h ARG 22 Ca 0.09 -0.08 -0.17 0.00 -0.81 0.00 0.00 59.98 59.00 3mb2 h ARG 22 Cb 0.69 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.24 3mb2 h ARG 22 CO 0.05 0.68 -0.72 0.00 -1.51 0.00 0.00 179.97 178.47 3mb2 h ALA 23 N 0.44 0.69 0.04 2.80 0.00 -0.76 -2.46 119.26 120.01 3mb2 h ALA 23 Ca -0.00 -0.62 -0.25 0.00 0.00 0.00 0.00 54.91 54.04 3mb2 h ALA 23 Cb 0.68 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.41 3mb2 h ALA 23 CO 0.02 0.80 -1.05 -0.07 0.00 0.00 0.00 179.25 178.95 3mb2 h LEU 24 N 0.17 0.62 -0.33 0.00 3.38 -1.39 -1.05 115.31 116.71 3mb2 h LEU 24 Ca -0.02 -0.53 0.03 0.00 0.09 0.00 0.00 57.88 57.45 3mb2 h LEU 24 Cb 1.28 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 41.80 3mb2 h LEU 24 CO 0.11 1.35 0.13 0.28 0.09 0.00 0.00 178.44 180.40 3mb2 h SER 25 N 0.24 0.16 -0.17 -0.43 0.02 -1.50 0.07 113.55 111.94 3mb2 h SER 25 Ca -0.11 0.03 -0.10 0.00 -0.84 0.00 0.00 61.79 60.77 3mb2 h SER 25 Cb 1.70 0.01 -0.02 0.00 0.14 0.00 0.00 62.40 64.23 3mb2 h SER 25 CO 0.19 0.13 -0.20 0.00 -1.14 0.00 0.00 176.83 175.81 3mb2 h ALA 26 N 1.20 1.06 -0.37 3.77 0.00 -1.37 -0.51 119.26 123.03 3mb2 h ALA 26 Ca 0.15 -0.33 -0.09 0.00 0.00 0.00 0.00 54.91 54.63 3mb2 h ALA 26 Cb 0.10 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 3mb2 h ALA 26 CO -0.13 0.57 -0.14 0.00 0.00 0.00 0.00 179.25 179.55 3mb2 h ALA 27 N 1.25 0.52 -0.09 0.00 0.00 -0.91 -2.33 119.26 117.70 3mb2 h ALA 27 Ca 0.08 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.66 3mb2 h ALA 27 Cb 0.64 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.30 3mb2 h ALA 27 CO 0.05 0.42 0.06 0.00 0.00 0.00 0.00 179.25 179.77 3mb2 h ALA 28 N 0.81 0.11 -0.65 0.00 0.00 -0.78 0.30 119.26 119.05 3mb2 h ALA 28 Ca 0.09 -0.01 0.09 0.00 0.00 0.00 0.00 54.91 55.08 3mb2 h ALA 28 Cb 0.67 -0.03 -0.07 0.00 0.00 0.00 0.00 17.79 18.35 3mb2 h ALA 28 CO 0.05 -0.39 0.29 0.00 0.00 0.00 0.00 179.25 179.19 3mb2 h ALA 29 N 1.02 0.87 -0.01 0.00 0.00 -1.08 -0.41 119.26 119.66 3mb2 h ALA 29 Ca 0.03 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 3mb2 h ALA 29 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3mb2 h ALA 29 CO -0.01 -0.12 -0.04 0.00 0.00 0.00 0.00 179.25 179.09 3mb2 h ALA 30 N 1.42 0.01 -0.94 0.00 0.00 -1.28 -1.95 119.26 116.51 3mb2 h ALA 30 Ca 0.32 -0.37 0.06 0.00 0.00 0.00 0.00 54.91 54.93 3mb2 h ALA 30 Cb 0.36 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.09 3mb2 h ALA 30 CO -0.28 -0.11 0.60 0.00 0.00 0.00 0.00 179.25 179.46 3mb2 h ALA 31 N 0.30 1.30 -0.71 0.00 0.00 -0.86 -3.02 119.26 116.28 3mb2 h ALA 31 Ca -0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3mb2 h ALA 31 Cb 0.74 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.25 3mb2 h ALA 31 CO 0.01 0.38 0.00 1.19 0.00 0.00 0.00 179.25 180.83 3mb2 n PHE 32 N -4.55 0.95 -3.99 0.00 0.99 -0.17 -4.98 117.46 105.71 3mb2 n PHE 32 Ca 0.14 -0.50 -0.38 0.00 -0.00 0.00 0.00 57.45 56.71 3mb2 n PHE 32 Cb 0.18 -0.00 0.01 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 1.58 -3.32 -4.25 4.37 9.92 -0.80 -5.02 116.55 119.03 3mb2 n ASP 33 Ca 0.24 -1.19 -0.24 0.00 -0.53 0.00 0.00 54.79 53.06 3mb2 n ASP 33 Cb 0.61 -2.26 -0.13 0.00 -0.64 0.00 0.00 41.12 38.70 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 -3.68 1.59 0.22 2.53 -7.23 -0.81 -5.06 120.40 107.97 3mb2 s VAL 34 Ca 0.37 -1.30 -0.32 0.00 -1.81 0.00 0.00 61.98 58.92 3mb2 s VAL 34 Cb -0.18 -1.42 -0.12 0.00 0.56 0.00 0.00 36.38 35.22 3mb2 s VAL 34 CO 0.94 0.07 1.67 -2.65 -0.31 0.00 0.00 175.10 174.82 3mb2 n PRO 35 N 1.56 2.66 -0.32 4.82 -0.02 -1.26 -4.55 135.00 137.89 3mb2 n PRO 35 Ca -0.18 0.96 0.19 0.00 -2.02 0.00 0.00 63.50 62.44 3mb2 n PRO 35 Cb 0.54 -2.77 0.36 0.00 -0.02 0.00 0.00 33.50 31.61 3mb2 n PRO 35 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 3mb2 n LEU 36 N 3.41 0.02 0.29 2.45 7.94 -1.26 -1.14 117.00 128.71 3mb2 n LEU 36 Ca 0.14 1.62 0.19 0.00 -1.11 0.00 0.00 56.01 56.85 3mb2 n LEU 36 Cb 0.34 -0.65 0.96 0.00 0.53 0.00 0.00 43.42 44.61 3mb2 n LEU 36 CO 0.64 -1.69 1.07 0.00 -1.11 0.00 0.00 177.39 176.30 3mb2 h ALA 37 N 1.92 1.00 0.00 1.96 0.00 -1.99 -1.61 119.26 120.53 3mb2 h ALA 37 Ca 0.65 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.56 3mb2 h ALA 37 Cb 1.48 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.27 3mb2 h ALA 37 CO -0.85 0.00 -0.42 0.39 0.00 0.00 0.00 179.25 178.37 3mb2 n GLU 38 N -2.92 0.07 -2.63 0.00 1.02 -0.29 -4.93 120.64 110.96 3mb2 n GLU 38 Ca -0.02 0.02 -0.42 0.00 -0.02 0.00 0.00 57.16 56.73 3mb2 n GLU 38 Cb 0.13 -1.55 -0.03 0.00 -0.02 0.00 0.00 31.44 29.98 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 -3.04 4.65 0.12 2.62 1.01 -0.61 -4.46 120.40 120.68 3mb2 s VAL 39 Ca 0.11 1.91 0.08 0.00 0.00 0.00 0.00 61.98 64.08 3mb2 s VAL 39 Cb 0.17 -4.23 -0.04 0.00 0.00 0.00 0.00 36.38 32.28 3mb2 s VAL 39 CO 0.67 0.06 -0.12 -0.13 0.00 0.00 0.00 175.10 175.57 3mb2 s ARG 40 N 1.68 2.00 -0.05 2.72 1.81 -1.00 -5.04 118.95 121.07 3mb2 s ARG 40 Ca 0.52 -1.12 -0.04 0.00 -1.72 0.00 0.00 55.73 53.37 3mb2 s ARG 40 Cb -0.21 -2.22 0.02 0.00 -0.45 0.00 0.00 34.95 32.09 3mb2 s ARG 40 CO 0.22 0.49 0.14 -1.17 -0.68 0.00 0.00 175.30 174.30 3mb2 s LEU 41 N -2.29 1.35 -0.05 2.53 0.20 -1.26 -0.60 118.68 118.57 3mb2 s LEU 41 Ca 0.21 0.28 0.04 0.00 0.69 0.00 0.00 54.13 55.35 3mb2 s LEU 41 Cb -0.11 0.45 -0.00 0.00 -0.43 0.00 0.00 46.19 46.10 3mb2 s LEU 41 CO 0.13 -0.06 -0.17 -0.63 -0.29 0.00 0.00 176.35 175.33 3mb2 s ILE 42 N 0.26 1.41 -0.14 6.68 1.01 0.46 -4.96 121.20 125.91 3mb2 s ILE 42 Ca -0.02 -0.69 -0.03 0.00 0.00 0.00 0.00 60.65 59.92 3mb2 s ILE 42 Cb -0.03 -1.22 -0.02 0.00 0.01 0.00 0.00 42.46 41.20 3mb2 s ILE 42 CO -0.01 0.41 -0.06 -0.63 0.00 0.00 0.00 174.94 174.65 3mb2 s ILE 43 N 0.13 3.71 -0.10 2.92 1.01 -1.26 -0.50 121.20 127.11 3mb2 s ILE 43 Ca -0.06 -0.43 0.03 0.00 0.00 0.00 0.00 60.65 60.20 3mb2 s ILE 43 Cb -0.12 -2.61 0.01 0.00 0.01 0.00 0.00 42.46 39.75 3mb2 s ILE 43 CO 0.03 0.51 -0.20 -1.10 0.00 0.00 0.00 174.94 174.17 3mb2 s GLN 44 N 0.27 2.64 0.11 2.79 -0.21 0.23 -4.94 119.66 120.55 3mb2 s GLN 44 Ca -0.05 -0.73 0.04 0.00 0.02 0.00 0.00 55.36 54.64 3mb2 s GLN 44 Cb -0.14 -2.05 -0.04 0.00 1.00 0.00 0.00 33.01 31.78 3mb2 s GLN 44 CO 0.03 0.11 0.09 -1.21 -2.12 0.00 0.00 175.29 172.19 3mb2 s GLU 45 N 0.51 2.85 0.03 2.91 2.02 -1.26 -1.48 118.70 124.28 3mb2 s GLU 45 Ca -0.16 -0.76 0.01 0.00 0.02 0.00 0.00 54.97 54.07 3mb2 s GLU 45 Cb -0.17 -2.68 -0.02 0.00 0.10 0.00 0.00 34.13 31.36 3mb2 s GLU 45 CO 0.06 0.54 -0.04 0.14 0.02 0.00 0.00 175.26 175.97 3mb2 s VAL 46 N -1.50 0.23 0.75 2.63 -7.23 -0.36 -4.86 120.40 110.06 3mb2 s VAL 46 Ca 0.29 -0.98 -0.11 0.00 -1.81 0.00 0.00 61.98 59.37 3mb2 s VAL 46 Cb -0.11 -0.38 0.04 0.00 0.56 0.00 0.00 36.38 36.48 3mb2 s VAL 46 CO 0.22 -0.48 1.08 -2.16 -0.31 0.00 0.00 175.10 173.45 3mb2 s PRO 47 N -1.56 2.46 0.63 4.82 0.04 -1.26 -0.88 135.00 139.25 3mb2 s PRO 47 Ca -0.14 0.71 0.35 0.00 0.04 0.00 0.00 61.00 61.96 3mb2 s PRO 47 Cb -0.10 -1.96 1.95 0.00 0.04 0.00 0.00 34.50 34.44 3mb2 s PRO 47 CO -0.01 -1.37 2.19 -1.00 0.04 0.00 0.00 177.00 176.85 3mb2 h PRO 48 N -0.91 0.00 0.00 0.56 0.13 -1.94 -1.19 132.00 128.65 3mb2 h PRO 48 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 3mb2 h PRO 48 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 3mb2 h PRO 48 CO 0.59 0.00 0.00 0.25 -0.23 0.00 0.00 178.00 178.61 3mb2 n THR 49 N -3.39 0.24 -0.02 1.56 -2.24 -1.26 -2.82 114.28 106.36 3mb2 n THR 49 Ca -0.01 0.06 0.01 0.00 -2.27 0.00 0.00 64.05 61.84 3mb2 n THR 49 Cb 0.21 -0.64 0.02 0.00 -2.10 0.00 0.00 70.33 67.82 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 -1.38 0.06 -4.56 4.78 8.25 -0.45 -4.86 115.22 117.06 3mb2 n HIS 50 Ca 0.09 -0.44 -0.30 0.00 -0.26 0.00 0.00 57.72 56.81 3mb2 n HIS 50 Cb 0.24 -0.04 -0.17 0.00 1.12 0.00 0.00 29.99 31.14 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 -0.89 2.31 -0.03 4.41 -0.11 -1.23 -4.91 118.94 118.49 3mb2 s TRP 51 Ca 0.03 -1.13 0.03 0.00 1.22 0.00 0.00 56.10 56.25 3mb2 s TRP 51 Cb 0.02 -1.61 0.00 0.00 -1.50 0.00 0.00 33.47 30.38 3mb2 s TRP 51 CO 0.02 -0.54 -0.10 0.99 -4.62 0.00 0.00 176.95 172.70 3mb2 s THR 52 N 0.90 0.88 -0.04 5.86 2.01 -1.26 -1.85 115.64 122.15 3mb2 s THR 52 Ca -0.07 -0.41 0.03 0.00 0.31 0.00 0.00 61.69 61.55 3mb2 s THR 52 Cb -0.15 -0.78 0.01 0.00 0.01 0.00 0.00 72.50 71.59 3mb2 s THR 52 CO -0.02 0.27 -0.10 0.54 -0.69 0.00 0.00 174.62 174.62 3mb2 s VAL 53 N 0.20 0.91 -1.65 3.82 0.11 -0.41 -4.71 120.40 118.67 3mb2 s VAL 53 Ca -0.04 -0.40 0.00 0.00 -2.93 0.00 0.00 61.98 58.61 3mb2 s VAL 53 Cb -0.09 -0.82 0.00 0.00 -1.53 0.00 0.00 36.38 33.94 3mb2 s VAL 53 CO 0.01 0.29 0.00 0.61 -3.33 0.00 0.00 175.10 172.67 3mb2 n GLY 54 N 3.46 0.43 3.01 6.54 0.00 -1.26 -1.86 105.19 115.50 3mb2 n GLY 54 Ca -0.20 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.94 1.28 3.29 -0.02 0.00 -1.26 -5.03 105.19 102.51 3mb2 n GLY 55 Ca -0.20 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.49 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 -3.83 2.70 0.62 -0.61 1.01 -0.78 -5.04 121.20 115.27 3mb2 s ILE 56 Ca 0.00 -0.77 -0.18 0.00 0.00 0.00 0.00 60.65 59.70 3mb2 s ILE 56 Cb 0.00 -2.12 -0.02 0.00 0.01 0.00 0.00 42.46 40.33 3mb2 s ILE 56 CO 0.00 0.52 1.20 -0.94 0.00 0.00 0.00 174.94 175.72 3mb2 s SER 57 N 0.61 5.00 0.43 3.58 1.04 -1.26 -1.29 113.70 121.81 3mb2 s SER 57 Ca -0.09 2.35 0.09 0.00 0.48 0.00 0.00 55.95 58.78 3mb2 s SER 57 Cb -0.16 -2.59 0.94 0.00 0.10 0.00 0.00 66.02 64.30 3mb2 s SER 57 CO 0.03 -1.72 2.06 -0.03 0.98 0.00 0.00 173.24 174.56 3mb2 h MET 58 N 0.60 0.38 -0.85 4.02 4.05 -1.20 -1.99 114.93 119.93 3mb2 h MET 58 Ca -0.50 -0.03 0.23 0.00 -0.28 0.00 0.00 59.70 59.12 3mb2 h MET 58 Cb 1.29 -0.08 -0.04 0.00 -0.80 0.00 0.00 31.60 31.97 3mb2 h MET 58 CO 0.54 0.28 0.60 0.00 0.23 0.00 0.00 176.91 178.56 3mb2 h ALA 59 N 1.78 2.62 -0.51 0.39 0.00 -1.84 -3.08 119.26 118.62 3mb2 h ALA 59 Ca 0.10 -0.01 -0.32 0.00 0.00 0.00 0.00 54.91 54.67 3mb2 h ALA 59 Cb 0.02 0.04 -0.04 0.00 0.00 0.00 0.00 17.79 17.81 3mb2 h ALA 59 CO -0.02 -0.87 1.01 -1.21 0.00 0.00 0.00 179.25 178.16 3mb2 s GLU 60 N -5.11 2.50 -0.42 0.00 8.01 -0.75 -4.51 118.70 118.42 3mb2 s GLU 60 Ca -0.06 -1.01 0.02 0.00 0.01 0.00 0.00 54.97 53.93 3mb2 s GLU 60 Cb 0.22 -5.21 0.15 0.00 -4.31 0.00 0.00 34.13 24.98 3mb2 s GLU 60 CO 0.77 -3.88 0.29 -0.51 0.01 0.00 0.00 175.26 171.94 3mb2 s LEU 61 N 10.88 1.79 0.00 1.80 1.43 -1.17 -4.96 118.68 128.45 3mb2 s LEU 61 Ca 0.69 -2.75 0.00 0.00 -1.03 0.00 0.00 54.13 51.04 3mb2 s LEU 61 Cb -0.02 -0.64 0.00 0.00 0.03 0.00 0.00 46.19 45.57 3mb2 s LEU 61 CO 0.11 -0.23 0.51 0.54 0.23 0.00 0.00 176.35 177.51