#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rdg s ASP 2 N 0.00 6.89 0.15 6.12 -0.00 -1.26 -5.02 116.67 123.55 1rdg s ASP 2 Ca 0.00 1.06 -0.21 0.00 -0.00 0.00 0.00 52.55 53.40 1rdg s ASP 2 Cb 0.00 -2.32 -0.08 0.00 -0.00 0.00 0.00 42.92 40.52 1rdg s ASP 2 CO 0.00 0.16 0.69 -0.63 -0.00 0.00 0.00 175.17 175.39 1rdg s ILE 3 N -0.37 4.56 0.08 0.77 1.01 -1.26 -4.57 121.20 121.42 1rdg s ILE 3 Ca 0.28 1.40 0.10 0.00 0.00 0.00 0.00 60.65 62.42 1rdg s ILE 3 Cb -0.17 -3.97 -0.03 0.00 0.01 0.00 0.00 42.46 38.29 1rdg s ILE 3 CO 0.15 0.43 -0.25 -0.31 0.00 0.00 0.00 174.94 174.96 1rdg s TYR 4 N -1.26 2.37 -0.06 3.97 2.02 -0.82 -1.01 117.35 122.55 1rdg s TYR 4 Ca 0.36 -0.37 0.06 0.00 -0.37 0.00 0.00 57.07 56.75 1rdg s TYR 4 Cb -0.20 -1.34 -0.01 0.00 -0.40 0.00 0.00 41.96 40.01 1rdg s TYR 4 CO 0.22 0.25 -0.24 0.08 -1.57 0.00 0.00 175.55 174.29 1rdg s VAL 5 N -0.95 1.95 -0.08 0.71 1.01 0.91 -0.19 120.40 123.77 1rdg s VAL 5 Ca 0.14 -1.01 -0.30 0.00 0.00 0.00 0.00 61.98 60.81 1rdg s VAL 5 Cb -0.10 -1.65 -0.05 0.00 0.00 0.00 0.00 36.38 34.58 1rdg s VAL 5 CO 0.05 0.54 1.63 0.00 0.00 0.00 0.00 175.10 177.32 1rdg h THR 7 N 5.66 0.00 0.02 0.00 1.35 -1.46 0.88 112.91 119.36 1rdg h THR 7 Ca -0.38 -0.46 -0.04 0.00 -0.55 0.00 0.00 66.41 64.98 1rdg h THR 7 Cb 1.17 1.36 0.00 0.00 -1.73 0.00 0.00 68.15 68.96 1rdg h THR 7 CO 0.96 0.00 -0.17 0.58 -0.25 0.00 0.00 175.52 176.64 1rdg h VAL 8 N 0.00 1.69 0.00 6.82 2.07 -1.91 -3.43 116.25 121.50 1rdg h VAL 8 Ca 0.00 -2.25 0.00 0.00 0.82 0.00 0.00 66.70 65.27 1rdg h VAL 8 Cb 0.55 3.20 0.00 0.00 -1.52 0.00 0.00 31.29 33.52 1rdg h VAL 8 CO 0.00 0.60 0.00 0.00 0.02 0.00 0.00 177.57 178.19 1rdg n GLY 10 N 0.56 1.04 3.76 0.00 0.00 0.30 -5.02 105.19 105.82 1rdg n GLY 10 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 1rdg n GLY 10 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1rdg n TYR 11 N -2.00 2.67 -3.87 1.61 4.19 -1.26 -4.58 117.16 113.92 1rdg n TYR 11 Ca 0.00 0.45 -0.36 0.00 3.31 0.00 0.00 57.90 61.30 1rdg n TYR 11 Cb 0.00 -2.46 -0.12 0.00 0.49 0.00 0.00 39.34 37.25 1rdg n TYR 11 CO 0.00 0.00 0.00 -1.21 0.91 0.00 0.00 176.86 176.56 1rdg s GLU 12 N -2.35 3.70 -0.35 2.98 2.02 -1.26 -0.55 118.70 122.89 1rdg s GLU 12 Ca 0.60 -0.46 -0.29 0.00 0.02 0.00 0.00 54.97 54.84 1rdg s GLU 12 Cb -0.46 -3.25 0.02 0.00 0.10 0.00 0.00 34.13 30.53 1rdg s GLU 12 CO 0.59 -0.07 1.06 -0.47 0.02 0.00 0.00 175.26 176.39 1rdg s TYR 13 N 1.27 3.10 -0.34 1.61 6.14 0.74 -4.95 117.35 124.92 1rdg s TYR 13 Ca 0.05 1.08 -0.08 0.00 0.64 0.00 0.00 57.07 58.76 1rdg s TYR 13 Cb -0.15 -3.78 0.03 0.00 0.42 0.00 0.00 41.96 38.48 1rdg s TYR 13 CO 0.03 -0.84 0.13 0.34 0.64 0.00 0.00 175.55 175.85 1rdg s ASP 14 N 1.79 5.40 0.52 4.32 -1.08 -1.26 -1.95 116.67 124.40 1rdg s ASP 14 Ca 0.45 -1.00 0.21 0.00 -0.52 0.00 0.00 52.55 51.69 1rdg s ASP 14 Cb -0.11 -1.92 1.32 0.00 -1.46 0.00 0.00 42.92 40.75 1rdg s ASP 14 CO 0.18 -0.31 2.05 1.55 0.52 0.00 0.00 175.17 179.16 1rdg h PRO 15 N 8.28 0.04 0.00 4.34 0.13 -1.80 -0.03 132.00 142.95 1rdg h PRO 15 Ca -0.26 -0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.86 1rdg h PRO 15 Cb 1.10 -0.01 -0.00 0.00 0.13 0.00 0.00 31.00 32.22 1rdg h PRO 15 CO 0.62 0.02 -0.05 0.00 -0.23 0.00 0.00 178.00 178.36 1rdg h ALA 16 N 1.82 1.05 0.00 -0.56 0.00 -1.91 0.36 119.26 120.04 1rdg h ALA 16 Ca 0.17 -0.05 -0.24 0.00 0.00 0.00 0.00 54.91 54.79 1rdg h ALA 16 Cb 0.62 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.35 1rdg h ALA 16 CO -0.01 0.06 -2.05 1.63 0.00 0.00 0.00 179.25 178.89 1rdg n LYS 17 N -3.23 1.22 0.00 0.00 5.02 -0.16 -4.05 118.16 116.97 1rdg n LYS 17 Ca -0.01 -0.03 0.00 0.00 -2.02 0.00 0.00 58.31 56.25 1rdg n LYS 17 Cb 0.26 -1.41 0.00 0.00 -0.02 0.00 0.00 35.03 33.86 1rdg n LYS 17 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1rdg n GLY 18 N 1.92 1.22 2.68 0.72 0.00 -0.43 -4.02 105.19 107.29 1rdg n GLY 18 Ca -0.22 -0.60 -0.09 0.00 0.00 0.00 0.00 46.02 45.11 1rdg n GLY 18 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1rdg n ASP 19 N -2.06 -2.84 -0.16 1.61 4.64 -0.00 -4.73 116.55 113.00 1rdg n ASP 19 Ca 0.00 -2.83 0.14 0.00 -1.38 0.00 0.00 54.79 50.73 1rdg n ASP 19 Cb 0.00 1.29 0.49 0.00 -1.04 0.00 0.00 41.12 41.86 1rdg n ASP 19 CO 0.00 0.00 0.00 -0.65 -0.82 0.00 0.00 177.20 175.73 1rdg h PRO 20 N 5.08 0.43 0.00 -0.67 0.11 -1.75 -0.43 132.00 134.78 1rdg h PRO 20 Ca 0.09 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 66.17 1rdg h PRO 20 Cb 1.07 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 32.08 1rdg h PRO 20 CO 0.10 0.29 -0.02 -0.44 -0.21 0.00 0.00 178.00 177.71 1rdg h ASP 21 N 0.45 0.00 -0.69 -2.05 3.45 -1.96 -0.23 116.42 115.38 1rdg h ASP 21 Ca 0.36 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.82 1rdg h ASP 21 Cb 0.79 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.56 1rdg h ASP 21 CO -0.12 0.02 0.00 -1.20 -1.57 0.00 0.00 179.24 176.37 1rdg n SER 22 N -4.13 4.42 -0.25 6.45 7.64 -0.24 -4.95 113.62 122.57 1rdg n SER 22 Ca -0.03 -2.24 -0.02 0.00 1.01 0.00 0.00 58.87 57.58 1rdg n SER 22 Cb 0.10 -0.54 -0.00 0.00 -1.01 0.00 0.00 64.21 62.76 1rdg n SER 22 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1rdg n GLY 23 N 1.38 0.32 3.21 0.23 0.00 -0.10 -5.03 105.19 105.21 1rdg n GLY 23 Ca 0.25 -0.82 -0.36 0.00 0.00 0.00 0.00 46.02 45.09 1rdg n GLY 23 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1rdg s ILE 24 N -2.11 3.23 0.63 -0.61 -1.09 -0.78 -4.99 121.20 115.47 1rdg s ILE 24 Ca 0.00 -1.29 -0.15 0.00 -2.23 0.00 0.00 60.65 56.98 1rdg s ILE 24 Cb 0.00 -2.84 -0.02 0.00 -1.58 0.00 0.00 42.46 38.02 1rdg s ILE 24 CO 0.00 -0.12 1.08 -0.54 -1.23 0.00 0.00 174.94 174.13 1rdg s LYS 25 N 1.30 3.09 0.29 2.79 1.02 -1.26 -0.82 119.74 126.15 1rdg s LYS 25 Ca -0.04 1.27 -0.29 0.00 0.02 0.00 0.00 55.97 56.93 1rdg s LYS 25 Cb -0.20 -2.00 -0.13 0.00 -0.52 0.00 0.00 37.83 34.99 1rdg s LYS 25 CO 0.00 -1.01 1.23 -2.30 -0.92 0.00 0.00 175.35 172.35 1rdg n PRO 26 N -2.24 1.82 -0.29 -1.68 -0.02 -1.26 -2.60 135.00 128.74 1rdg n PRO 26 Ca 0.09 0.64 0.00 0.00 -2.02 0.00 0.00 63.50 62.22 1rdg n PRO 26 Cb 0.53 -2.17 0.00 0.00 -0.02 0.00 0.00 33.50 31.83 1rdg n PRO 26 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1rdg n GLY 27 N 1.28 0.71 3.67 -1.23 0.00 0.13 -4.89 105.19 104.85 1rdg n GLY 27 Ca 0.08 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.67 1rdg n GLY 27 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1rdg s THR 28 N -2.40 4.58 0.61 2.61 2.01 -1.07 -4.91 115.64 117.07 1rdg s THR 28 Ca 0.00 1.88 -0.17 0.00 0.31 0.00 0.00 61.69 63.72 1rdg s THR 28 Cb 0.00 -4.21 -0.03 0.00 0.01 0.00 0.00 72.50 68.27 1rdg s THR 28 CO 0.00 -0.10 1.11 -0.54 -0.69 0.00 0.00 174.62 174.39 1rdg s LYS 29 N 2.84 3.07 0.28 4.92 1.02 -1.26 -4.50 119.74 126.10 1rdg s LYS 29 Ca 0.49 1.44 0.01 0.00 0.02 0.00 0.00 55.97 57.93 1rdg s LYS 29 Cb -0.18 -1.98 0.57 0.00 -0.52 0.00 0.00 37.83 35.72 1rdg s LYS 29 CO 0.13 -1.05 1.82 0.35 -0.92 0.00 0.00 175.35 175.68 1rdg h PHE 30 N 0.50 1.07 0.00 3.18 3.04 -1.95 -0.60 116.94 122.19 1rdg h PHE 30 Ca -0.48 0.03 -0.00 0.00 3.98 0.00 0.00 57.97 61.50 1rdg h PHE 30 Cb 1.25 -0.33 -0.00 0.00 2.56 0.00 0.00 35.95 39.42 1rdg h PHE 30 CO 0.54 0.38 -0.01 0.93 -2.02 0.00 0.00 178.31 178.13 1rdg h GLU 31 N 0.90 0.00 -0.02 1.11 3.07 -1.98 -1.45 114.58 116.21 1rdg h GLU 31 Ca 0.50 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.36 1rdg h GLU 31 Cb 0.57 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.48 1rdg h GLU 31 CO -0.30 0.01 0.00 -0.25 -1.40 0.00 0.00 179.01 177.08 1rdg n ASP 32 N -3.62 1.81 -4.77 1.42 8.00 -0.24 -4.87 116.55 114.29 1rdg n ASP 32 Ca -0.03 -1.61 -0.40 0.00 0.71 0.00 0.00 54.79 53.47 1rdg n ASP 32 Cb 0.10 -0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.16 1rdg n ASP 32 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1rdg s LEU 33 N -1.98 4.42 0.76 0.64 1.43 -0.55 -4.97 118.68 118.42 1rdg s LEU 33 Ca 0.36 2.43 -0.13 0.00 -1.03 0.00 0.00 54.13 55.76 1rdg s LEU 33 Cb 0.21 -3.74 0.05 0.00 0.03 0.00 0.00 46.19 42.74 1rdg s LEU 33 CO 0.33 -0.41 1.15 -2.16 0.23 0.00 0.00 176.35 175.48 1rdg s PRO 34 N -1.79 2.11 0.15 1.29 0.04 -1.26 -4.90 135.00 130.64 1rdg s PRO 34 Ca 0.49 1.50 0.21 0.00 0.04 0.00 0.00 61.00 63.25 1rdg s PRO 34 Cb -0.34 -1.86 0.87 0.00 0.04 0.00 0.00 34.50 33.21 1rdg s PRO 34 CO 0.44 -1.80 1.66 -3.47 0.04 0.00 0.00 177.00 173.87 1rdg n ASP 35 N -3.10 0.43 -0.50 6.66 4.64 -1.26 -1.64 116.55 121.79 1rdg n ASP 35 Ca 0.11 0.59 0.12 0.00 -1.38 0.00 0.00 54.79 54.24 1rdg n ASP 35 Cb 0.52 -0.69 0.46 0.00 -1.04 0.00 0.00 41.12 40.37 1rdg n ASP 35 CO 0.00 0.00 0.00 -0.90 -0.82 0.00 0.00 177.20 175.48 1rdg n ASP 36 N -1.96 1.52 -4.77 1.67 5.75 -1.26 -4.56 116.55 112.94 1rdg n ASP 36 Ca 0.03 -1.59 -0.40 0.00 -0.01 0.00 0.00 54.79 52.82 1rdg n ASP 36 Cb 0.24 -0.05 -0.02 0.00 -1.03 0.00 0.00 41.12 40.25 1rdg n ASP 36 CO 0.00 0.00 0.00 0.86 -0.11 0.00 0.00 177.20 177.95 1rdg s TRP 37 N -1.89 3.13 0.12 2.11 -0.00 -0.65 -4.95 118.94 116.81 1rdg s TRP 37 Ca 0.35 1.50 0.06 0.00 -0.00 0.00 0.00 56.10 58.01 1rdg s TRP 37 Cb 0.19 -3.54 -0.04 0.00 -0.00 0.00 0.00 33.47 30.08 1rdg s TRP 37 CO 0.30 -1.52 -0.15 0.00 -0.00 0.00 0.00 176.95 175.57 1rdg s ALA 38 N -1.21 1.57 0.10 5.86 0.00 -1.26 -1.91 121.76 124.91 1rdg s ALA 38 Ca 0.51 -1.31 -0.33 0.00 0.00 0.00 0.00 51.96 50.83 1rdg s ALA 38 Cb -0.36 -0.10 -0.12 0.00 0.00 0.00 0.00 23.12 22.53 1rdg s ALA 38 CO 0.47 0.14 1.75 0.00 0.00 0.00 0.00 175.76 178.12 1rdg h PRO 40 N 7.66 0.00 0.15 0.00 0.11 -1.96 -0.79 132.00 137.17 1rdg h PRO 40 Ca -0.46 0.00 -0.34 0.00 0.11 0.00 0.00 66.00 65.31 1rdg h PRO 40 Cb 1.24 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.35 1rdg h PRO 40 CO 0.93 0.11 -1.78 0.28 -0.21 0.00 0.00 178.00 177.33 1rdg h VAL 41 N 0.00 0.83 0.00 3.15 2.07 -1.99 -3.42 116.25 116.90 1rdg h VAL 41 Ca -0.00 -2.42 0.00 0.00 0.82 0.00 0.00 66.70 65.09 1rdg h VAL 41 Cb 0.28 2.65 0.00 0.00 -1.52 0.00 0.00 31.29 32.70 1rdg h VAL 41 CO 0.01 0.84 -0.16 0.00 0.02 0.00 0.00 177.57 178.28 1rdg n GLY 43 N 1.22 1.45 3.73 0.00 0.00 -0.30 -5.00 105.19 106.29 1rdg n GLY 43 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 1rdg n GLY 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rdg s ALA 44 N -3.00 2.35 0.79 4.61 0.00 -1.26 -4.49 121.76 120.77 1rdg s ALA 44 Ca 0.00 1.09 -0.11 0.00 0.00 0.00 0.00 51.96 52.94 1rdg s ALA 44 Cb 0.00 -3.51 0.07 0.00 0.00 0.00 0.00 23.12 19.68 1rdg s ALA 44 CO 0.00 -1.57 1.12 0.45 0.00 0.00 0.00 175.76 175.76 1rdg s SER 45 N -1.59 4.11 0.39 0.00 0.15 -1.26 -0.29 113.70 115.20 1rdg s SER 45 Ca 0.80 2.01 0.15 0.00 0.70 0.00 0.00 55.95 59.60 1rdg s SER 45 Cb -0.34 -2.55 0.99 0.00 -1.71 0.00 0.00 66.02 62.42 1rdg s SER 45 CO 0.39 -2.30 1.83 0.50 1.20 0.00 0.00 173.24 174.86 1rdg h LYS 46 N -1.09 0.49 0.00 5.44 3.64 -1.62 -0.15 116.57 123.28 1rdg h LYS 46 Ca -0.44 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 58.91 1rdg h LYS 46 Cb 1.25 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.96 1rdg h LYS 46 CO 0.49 0.33 0.00 -0.25 -2.27 0.00 0.00 179.45 177.74 1rdg n ASP 47 N -4.58 0.00 -0.25 4.20 10.43 -1.26 -1.80 116.55 123.29 1rdg n ASP 47 Ca 0.21 -0.42 0.15 0.00 2.57 0.00 0.00 54.79 57.29 1rdg n ASP 47 Cb 0.68 -0.13 0.72 0.00 1.84 0.00 0.00 41.12 44.22 1rdg n ASP 47 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1rdg n ALA 48 N -1.13 2.63 -2.50 2.24 0.00 -0.07 -4.91 120.51 116.77 1rdg n ALA 48 Ca 0.15 -0.33 -0.32 0.00 0.00 0.00 0.00 53.44 52.94 1rdg n ALA 48 Cb 0.13 -1.33 -0.05 0.00 0.00 0.00 0.00 19.45 18.19 1rdg n ALA 48 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 1rdg s PHE 49 N -1.99 3.47 0.13 0.00 0.40 -0.74 -1.10 117.98 118.14 1rdg s PHE 49 Ca 0.42 0.79 0.07 0.00 -0.60 0.00 0.00 56.93 57.61 1rdg s PHE 49 Cb 0.21 -2.18 -0.04 0.00 0.51 0.00 0.00 43.02 41.52 1rdg s PHE 49 CO 0.35 0.35 -0.15 -1.83 0.70 0.00 0.00 175.22 174.63 1rdg s GLU 50 N -2.62 1.10 0.16 0.44 -1.05 0.05 -4.91 118.70 111.87 1rdg s GLU 50 Ca 0.43 -1.28 -0.31 0.00 -0.15 0.00 0.00 54.97 53.66 1rdg s GLU 50 Cb -0.12 -1.04 -0.09 0.00 -0.44 0.00 0.00 34.13 32.44 1rdg s GLU 50 CO 0.22 0.21 1.38 0.21 0.95 0.00 0.00 175.26 178.23 1rdg s LYS 51 N -2.67 4.33 0.00 -4.83 2.20 -1.26 -0.06 119.74 117.44 1rdg s LYS 51 Ca 0.11 2.12 0.31 0.00 -0.36 0.00 0.00 55.97 58.14 1rdg s LYS 51 Cb -0.05 -3.21 1.85 0.00 -1.51 0.00 0.00 37.83 34.90 1rdg s LYS 51 CO 0.04 -0.39 2.17 0.94 -0.36 0.00 0.00 175.35 177.75