#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2a28 s ALA 2 N 0.00 2.26 0.28 4.61 0.00 -1.26 -4.87 121.76 122.78 2a28 s ALA 2 Ca 0.00 0.09 -0.09 0.00 0.00 0.00 0.00 51.96 51.96 2a28 s ALA 2 Cb 0.00 -3.21 -0.07 0.00 0.00 0.00 0.00 23.12 19.85 2a28 s ALA 2 CO 0.00 -1.70 0.61 -1.64 0.00 0.00 0.00 175.76 173.03 2a28 s MET 3 N -4.99 3.78 -0.15 0.00 -1.94 -0.10 -4.90 119.30 111.00 2a28 s MET 3 Ca 0.61 0.28 0.00 0.00 -1.71 0.00 0.00 55.69 54.87 2a28 s MET 3 Cb -0.16 -2.58 0.03 0.00 2.01 0.00 0.00 34.83 34.13 2a28 s MET 3 CO 0.56 0.21 -0.12 -2.00 -0.01 0.00 0.00 175.02 173.66 2a28 s GLU 4 N -3.20 2.10 0.23 2.03 2.12 -1.26 -0.65 118.70 120.07 2a28 s GLU 4 Ca 0.48 -0.53 -0.30 0.00 0.36 0.00 0.00 54.97 54.98 2a28 s GLU 4 Cb -0.11 -2.05 -0.09 0.00 0.26 0.00 0.00 34.13 32.14 2a28 s GLU 4 CO 0.25 -0.27 1.30 0.00 -0.54 0.00 0.00 175.26 176.00 2a28 s ALA 5 N 1.52 3.52 -0.15 6.30 0.00 -0.07 -0.93 121.76 131.96 2a28 s ALA 5 Ca 0.04 1.13 0.04 0.00 0.00 0.00 0.00 51.96 53.17 2a28 s ALA 5 Cb -0.13 -3.48 -0.04 0.00 0.00 0.00 0.00 23.12 19.47 2a28 s ALA 5 CO -0.10 -0.54 0.14 0.44 0.00 0.00 0.00 175.76 175.70 2a28 n ILE 6 N 2.26 0.00 -4.07 0.00 -5.35 0.49 -0.94 119.36 111.75 2a28 n ILE 6 Ca 0.05 -0.38 -0.11 0.00 -0.27 0.00 0.00 62.75 62.04 2a28 n ILE 6 Cb 0.43 0.94 -0.11 0.00 -1.74 0.00 0.00 39.64 39.15 2a28 n ILE 6 CO 0.00 0.00 0.00 -0.31 -1.76 0.00 0.00 176.55 174.48 2a28 s TYR 7 N -1.43 0.62 0.30 4.28 2.02 -0.86 -4.76 117.35 117.52 2a28 s TYR 7 Ca 0.01 -0.67 -0.28 0.00 -0.37 0.00 0.00 57.07 55.76 2a28 s TYR 7 Cb 0.03 -0.38 -0.09 0.00 -0.40 0.00 0.00 41.96 41.11 2a28 s TYR 7 CO 0.15 -0.16 1.00 0.00 -1.57 0.00 0.00 175.55 174.97 2a28 s ALA 8 N -2.22 3.29 -0.05 3.71 0.00 -1.26 -4.27 121.76 120.96 2a28 s ALA 8 Ca -0.04 0.68 0.02 0.00 0.00 0.00 0.00 51.96 52.62 2a28 s ALA 8 Cb -0.04 -3.24 0.02 0.00 0.00 0.00 0.00 23.12 19.85 2a28 s ALA 8 CO -0.02 0.04 -0.08 -0.47 0.00 0.00 0.00 175.76 175.22 2a28 s TYR 9 N -1.36 1.07 -0.25 0.00 5.04 -0.26 -4.98 117.35 116.61 2a28 s TYR 9 Ca 0.47 -0.35 -0.11 0.00 -2.44 0.00 0.00 57.07 54.64 2a28 s TYR 9 Cb -0.25 -0.83 -0.05 0.00 0.35 0.00 0.00 41.96 41.18 2a28 s TYR 9 CO 0.32 -0.21 0.21 -1.21 -1.34 0.00 0.00 175.55 173.31 2a28 s GLU 10 N 0.69 4.03 0.32 4.97 0.41 -1.26 -1.69 118.70 126.17 2a28 s GLU 10 Ca -0.12 -0.23 -0.29 0.00 -0.41 0.00 0.00 54.97 53.93 2a28 s GLU 10 Cb -0.14 -3.60 -0.12 0.00 -1.78 0.00 0.00 34.13 28.49 2a28 s GLU 10 CO 0.02 -0.07 1.34 0.00 -0.49 0.00 0.00 175.26 176.06 2a28 n ALA 11 N 4.68 1.42 0.24 5.21 0.00 -1.26 -4.92 120.51 125.89 2a28 n ALA 11 Ca -0.14 0.37 0.04 0.00 0.00 0.00 0.00 53.44 53.71 2a28 n ALA 11 Cb 0.52 -2.28 0.04 0.00 0.00 0.00 0.00 19.45 17.73 2a28 n ALA 11 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2a28 n GLN 12 N 0.90 0.57 -3.84 0.00 6.02 -1.26 -4.98 117.38 114.79 2a28 n GLN 12 Ca 0.06 -1.12 -0.07 0.00 -0.01 0.00 0.00 57.00 55.86 2a28 n GLN 12 Cb 0.35 -1.15 -0.01 0.00 1.02 0.00 0.00 30.24 30.45 2a28 n GLN 12 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.06 176.25 2a28 s GLY 13 N -0.70 0.02 0.50 1.08 0.00 -1.26 -5.04 107.32 101.91 2a28 s GLY 13 Ca 0.10 -0.38 0.33 0.00 0.00 0.00 0.00 44.72 44.77 2a28 s GLY 13 CO 0.10 -0.04 1.97 -0.55 0.00 0.00 0.00 173.10 174.58 2a28 h ASP 14 N 2.00 0.00 0.05 1.64 5.19 -2.03 -1.96 116.42 121.30 2a28 h ASP 14 Ca -0.23 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.18 2a28 h ASP 14 Cb 1.25 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.76 2a28 h ASP 14 CO 0.28 0.00 -0.04 -0.90 -3.12 0.00 0.00 179.24 175.46 2a28 n ASP 15 N -2.90 1.21 -4.81 6.45 5.75 -1.26 -4.91 116.55 116.08 2a28 n ASP 15 Ca 0.00 -1.30 -0.25 0.00 -0.01 0.00 0.00 54.79 53.23 2a28 n ASP 15 Cb 0.25 0.01 -0.05 0.00 -1.03 0.00 0.00 41.12 40.31 2a28 n ASP 15 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 2a28 s GLU 16 N -2.10 2.93 0.02 0.11 2.02 -0.74 -1.11 118.70 119.83 2a28 s GLU 16 Ca 0.37 -0.90 0.08 0.00 0.02 0.00 0.00 54.97 54.53 2a28 s GLU 16 Cb 0.21 -2.64 -0.02 0.00 0.10 0.00 0.00 34.13 31.78 2a28 s GLU 16 CO 0.37 0.46 -0.23 0.96 0.02 0.00 0.00 175.26 176.85 2a28 s ILE 17 N -1.84 1.84 0.29 -1.63 -4.36 -0.32 -4.70 121.20 110.48 2a28 s ILE 17 Ca 0.32 -1.15 -0.28 0.00 -0.26 0.00 0.00 60.65 59.27 2a28 s ILE 17 Cb -0.10 -1.56 -0.09 0.00 1.25 0.00 0.00 42.46 41.96 2a28 s ILE 17 CO 0.24 0.37 0.98 -0.44 0.24 0.00 0.00 174.94 176.33 2a28 s SER 18 N -0.93 7.38 0.07 4.36 0.01 -1.26 -4.45 113.70 118.89 2a28 s SER 18 Ca 0.09 1.97 0.05 0.00 1.31 0.00 0.00 55.95 59.37 2a28 s SER 18 Cb -0.09 -2.60 -0.03 0.00 0.21 0.00 0.00 66.02 63.51 2a28 s SER 18 CO 0.01 -0.04 -0.14 0.27 0.41 0.00 0.00 173.24 173.75 2a28 s ILE 19 N -1.38 1.14 0.17 1.44 -4.36 -0.68 -4.96 121.20 112.56 2a28 s ILE 19 Ca 0.47 -1.31 0.10 0.00 -0.26 0.00 0.00 60.65 59.65 2a28 s ILE 19 Cb -0.24 -1.09 -0.04 0.00 1.25 0.00 0.00 42.46 42.34 2a28 s ILE 19 CO 0.30 -0.21 -0.22 -1.81 0.24 0.00 0.00 174.94 173.24 2a28 s ASP 20 N -1.73 3.02 0.24 4.36 1.01 -1.26 -1.10 116.67 121.21 2a28 s ASP 20 Ca -0.02 -0.83 -0.30 0.00 0.71 0.00 0.00 52.55 52.11 2a28 s ASP 20 Cb -0.10 -0.20 -0.14 0.00 1.01 0.00 0.00 42.92 43.49 2a28 s ASP 20 CO 0.02 0.06 1.13 -2.65 0.21 0.00 0.00 175.17 173.95 2a28 n PRO 21 N 0.44 1.43 -0.12 8.23 -0.02 -1.26 -1.76 135.00 141.94 2a28 n PRO 21 Ca -0.14 0.50 0.00 0.00 -2.02 0.00 0.00 63.50 61.84 2a28 n PRO 21 Cb 0.56 -1.97 0.00 0.00 -0.02 0.00 0.00 33.50 32.07 2a28 n PRO 21 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2a28 n GLY 22 N 1.61 1.32 3.76 -1.23 0.00 -0.12 -4.98 105.19 105.56 2a28 n GLY 22 Ca 0.11 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.72 2a28 n GLY 22 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2a28 s ASP 23 N -3.00 6.53 -0.35 1.61 1.01 -0.72 -4.75 116.67 117.00 2a28 s ASP 23 Ca 0.00 2.83 -0.07 0.00 0.71 0.00 0.00 52.55 56.02 2a28 s ASP 23 Cb 0.00 -2.64 0.04 0.00 1.01 0.00 0.00 42.92 41.33 2a28 s ASP 23 CO 0.00 -0.77 0.13 -0.63 0.21 0.00 0.00 175.17 174.11 2a28 s ILE 24 N -0.43 3.96 -0.11 0.77 -1.09 -1.26 -0.90 121.20 122.15 2a28 s ILE 24 Ca 0.57 -1.09 -0.00 0.00 -2.23 0.00 0.00 60.65 57.90 2a28 s ILE 24 Cb -0.44 -3.25 -0.02 0.00 -1.58 0.00 0.00 42.46 37.17 2a28 s ILE 24 CO 0.50 -0.21 -0.11 -0.63 -1.23 0.00 0.00 174.94 173.27 2a28 s ILE 25 N 1.43 3.27 -0.30 2.92 1.01 0.18 -4.71 121.20 125.00 2a28 s ILE 25 Ca -0.01 -0.60 -0.19 0.00 0.00 0.00 0.00 60.65 59.86 2a28 s ILE 25 Cb -0.20 -2.37 -0.02 0.00 0.01 0.00 0.00 42.46 39.89 2a28 s ILE 25 CO 0.04 0.54 0.55 -0.89 0.00 0.00 0.00 174.94 175.18 2a28 s THR 26 N 0.05 5.01 0.17 2.92 2.01 0.08 -0.93 115.64 124.96 2a28 s THR 26 Ca -0.04 0.75 -0.30 0.00 0.31 0.00 0.00 61.69 62.41 2a28 s THR 26 Cb -0.14 -3.92 -0.07 0.00 0.01 0.00 0.00 72.50 68.38 2a28 s THR 26 CO 0.04 -0.06 1.05 -0.69 -0.69 0.00 0.00 174.62 174.27 2a28 s VAL 27 N 2.43 4.03 -0.20 3.82 1.01 -1.26 -0.86 120.40 129.37 2a28 s VAL 27 Ca 0.22 1.77 -0.12 0.00 0.00 0.00 0.00 61.98 63.85 2a28 s VAL 27 Cb -0.15 -4.13 -0.09 0.00 0.00 0.00 0.00 36.38 32.01 2a28 s VAL 27 CO 0.11 0.31 -0.28 -0.38 0.00 0.00 0.00 175.10 174.86 2a28 n ILE 28 N 2.34 1.25 -3.86 2.22 5.41 0.16 -4.92 119.36 121.97 2a28 n ILE 28 Ca 0.02 -0.21 -0.29 0.00 1.00 0.00 0.00 62.75 63.27 2a28 n ILE 28 Cb 0.47 -1.88 -0.16 0.00 -0.71 0.00 0.00 39.64 37.37 2a28 n ILE 28 CO 0.00 0.00 0.00 -0.60 0.00 0.00 0.00 176.55 175.95 2a28 s ARG 29 N -2.46 1.21 0.86 0.38 3.00 -0.45 -5.03 118.95 116.46 2a28 s ARG 29 Ca -0.29 -0.86 -0.11 0.00 -1.00 0.00 0.00 55.73 53.46 2a28 s ARG 29 Cb 0.10 -2.40 0.11 0.00 0.00 0.00 0.00 34.95 32.76 2a28 s ARG 29 CO 0.38 -0.67 1.09 0.20 0.00 0.00 0.00 175.30 176.30 2a28 s GLY 30 N 1.54 1.64 0.01 8.12 0.00 -1.26 -1.46 107.32 115.91 2a28 s GLY 30 Ca -0.02 0.09 -0.38 0.00 0.00 0.00 0.00 44.72 44.42 2a28 s GLY 30 CO -0.09 0.53 1.39 1.34 0.00 0.00 0.00 173.10 176.27 2a28 n ASP 31 N -3.81 1.65 -1.82 1.64 -0.08 -1.26 -4.79 116.55 108.08 2a28 n ASP 31 Ca 0.08 1.12 0.08 0.00 -1.51 0.00 0.00 54.79 54.55 2a28 n ASP 31 Cb 0.54 -1.16 0.40 0.00 2.34 0.00 0.00 41.12 43.24 2a28 n ASP 31 CO 0.00 0.00 0.00 -0.90 0.12 0.00 0.00 177.20 176.42 2a28 n ASP 32 N 2.94 5.48 0.00 1.67 5.68 -1.26 -4.89 116.55 126.18 2a28 n ASP 32 Ca 0.20 -2.78 0.00 0.00 -0.50 0.00 0.00 54.79 51.71 2a28 n ASP 32 Cb 0.17 -0.66 0.00 0.00 -1.14 0.00 0.00 41.12 39.49 2a28 n ASP 32 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2a28 n GLY 33 N 0.81 2.21 0.21 6.12 0.00 -1.26 -4.94 105.19 108.33 2a28 n GLY 33 Ca 0.27 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.43 2a28 n GLY 33 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2a28 h SER 34 N 0.00 0.00 0.00 1.61 4.64 -1.98 -3.47 113.55 114.36 2a28 h SER 34 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2a28 h SER 34 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 2a28 h SER 34 CO 0.00 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.57 2a28 n GLY 35 N 0.75 0.51 3.35 -0.77 0.00 -1.26 -5.07 105.19 102.69 2a28 n GLY 35 Ca 0.03 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.74 2a28 n GLY 35 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2a28 s TRP 36 N -2.12 2.44 -0.06 1.61 0.52 -1.26 -1.32 118.94 118.74 2a28 s TRP 36 Ca 0.00 -0.39 0.02 0.00 0.02 0.00 0.00 56.10 55.75 2a28 s TRP 36 Cb 0.00 -1.54 -0.03 0.00 -1.15 0.00 0.00 33.47 30.75 2a28 s TRP 36 CO 0.00 0.00 -0.12 0.99 0.02 0.00 0.00 176.95 177.84 2a28 s THR 37 N -0.59 3.23 -0.22 2.01 2.01 -0.29 -4.02 115.64 117.77 2a28 s THR 37 Ca 0.09 -0.65 -0.12 0.00 0.31 0.00 0.00 61.69 61.31 2a28 s THR 37 Cb -0.11 -2.29 -0.05 0.00 0.01 0.00 0.00 72.50 70.07 2a28 s THR 37 CO -0.00 0.58 0.24 -0.47 -0.69 0.00 0.00 174.62 174.29 2a28 s TYR 38 N -0.62 3.35 0.20 4.92 5.04 -0.53 -1.18 117.35 128.53 2a28 s TYR 38 Ca 0.09 0.39 -0.08 0.00 -2.44 0.00 0.00 57.07 55.03 2a28 s TYR 38 Cb -0.11 -2.35 0.03 0.00 0.35 0.00 0.00 41.96 39.88 2a28 s TYR 38 CO 0.01 0.08 0.41 0.41 -1.34 0.00 0.00 175.55 175.12 2a28 n GLY 39 N 4.03 1.49 3.09 8.97 0.00 -0.70 -0.66 105.19 121.40 2a28 n GLY 39 Ca -0.13 -1.15 -0.18 0.00 0.00 0.00 0.00 46.02 44.56 2a28 n GLY 39 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2a28 s GLU 40 N -2.05 0.80 -0.21 1.61 -6.30 -0.04 -1.76 118.70 110.76 2a28 s GLU 40 Ca 0.08 -0.61 -0.04 0.00 -2.50 0.00 0.00 54.97 51.91 2a28 s GLU 40 Cb -0.03 -0.77 0.09 0.00 0.00 0.00 0.00 34.13 33.43 2a28 s GLU 40 CO 0.06 0.19 0.20 0.00 0.02 0.00 0.00 175.26 175.73 2a28 n ASP 42 N 5.31 -4.41 0.00 0.00 8.00 -1.26 -1.27 116.55 122.92 2a28 n ASP 42 Ca -0.06 -0.68 0.00 0.00 0.71 0.00 0.00 54.79 54.76 2a28 n ASP 42 Cb 0.49 -3.56 0.00 0.00 -0.02 0.00 0.00 41.12 38.03 2a28 n ASP 42 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2a28 n GLY 43 N -1.50 2.56 3.79 0.44 0.00 -1.26 -5.05 105.19 104.18 2a28 n GLY 43 Ca 0.03 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.66 2a28 n GLY 43 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2a28 s LEU 44 N 0.00 4.48 -0.00 0.99 1.02 -0.40 -5.06 118.68 119.71 2a28 s LEU 44 Ca 0.00 1.21 0.01 0.00 0.02 0.00 0.00 54.13 55.36 2a28 s LEU 44 Cb 0.00 -2.89 -0.00 0.00 0.02 0.00 0.00 46.19 43.32 2a28 s LEU 44 CO 0.00 0.21 -0.03 -1.59 0.02 0.00 0.00 176.35 174.96 2a28 s LYS 45 N -0.75 0.22 0.00 1.70 -2.85 -1.26 -0.66 119.74 116.14 2a28 s LYS 45 Ca 0.29 -0.10 0.00 0.00 -1.00 0.00 0.00 55.97 55.17 2a28 s LYS 45 Cb -0.19 -0.21 0.00 0.00 -2.06 0.00 0.00 37.83 35.37 2a28 s LYS 45 CO 0.18 0.06 0.00 0.41 0.10 0.00 0.00 175.35 176.10 2a28 n GLY 46 N 3.01 -1.16 3.82 0.59 0.00 -0.72 -4.79 105.19 105.94 2a28 n GLY 46 Ca -0.12 -1.06 -0.36 0.00 0.00 0.00 0.00 46.02 44.47 2a28 n GLY 46 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2a28 s LEU 47 N 0.00 4.38 0.12 0.99 1.43 -0.26 -1.73 118.68 123.61 2a28 s LEU 47 Ca 0.00 1.28 -0.09 0.00 -1.03 0.00 0.00 54.13 54.29 2a28 s LEU 47 Cb 0.00 -3.35 -0.00 0.00 0.03 0.00 0.00 46.19 42.86 2a28 s LEU 47 CO 0.00 0.10 0.23 0.72 0.23 0.00 0.00 176.35 177.63 2a28 s PHE 48 N -1.43 0.26 -0.03 0.29 -0.12 -0.33 -1.18 117.98 115.45 2a28 s PHE 48 Ca 0.39 -0.67 -0.30 0.00 -0.05 0.00 0.00 56.93 56.30 2a28 s PHE 48 Cb -0.17 -0.07 -0.03 0.00 -0.63 0.00 0.00 43.02 42.13 2a28 s PHE 48 CO 0.20 -0.61 1.09 -2.14 -0.05 0.00 0.00 175.22 173.71 2a28 s PRO 49 N -3.91 4.44 0.21 1.99 0.02 -1.26 -1.14 135.00 135.35 2a28 s PRO 49 Ca 0.10 1.55 -0.10 0.00 0.02 0.00 0.00 61.00 62.57 2a28 s PRO 49 Cb 0.04 -3.49 0.22 0.00 0.02 0.00 0.00 34.50 31.29 2a28 s PRO 49 CO -0.06 -0.27 1.82 1.15 -0.33 0.00 0.00 177.00 179.31 2a28 h THR 50 N 4.89 1.02 0.00 0.99 2.02 -1.53 -1.93 112.91 118.37 2a28 h THR 50 Ca -0.36 -0.26 0.00 0.00 0.77 0.00 0.00 66.41 66.56 2a28 h THR 50 Cb 1.18 0.20 0.00 0.00 -1.74 0.00 0.00 68.15 67.79 2a28 h THR 50 CO 0.83 0.14 0.00 -1.54 0.37 0.00 0.00 175.52 175.31 2a28 n SER 51 N -4.74 0.00 -0.63 4.18 3.41 -1.26 -1.67 113.62 112.91 2a28 n SER 51 Ca 0.08 -0.05 0.12 0.00 -0.26 0.00 0.00 58.87 58.76 2a28 n SER 51 Cb 0.14 -0.20 0.38 0.00 -0.26 0.00 0.00 64.21 64.27 2a28 n SER 51 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 2a28 n TYR 52 N -1.20 0.17 -4.55 7.33 4.02 -0.73 -4.88 117.16 117.32 2a28 n TYR 52 Ca 0.07 -0.09 -0.26 0.00 -0.01 0.00 0.00 57.90 57.61 2a28 n TYR 52 Cb 0.09 0.00 -0.11 0.00 -0.02 0.00 0.00 39.34 39.30 2a28 n TYR 52 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85