#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 5rxn s LYS 2 N 0.00 4.21 0.46 0.03 1.02 -1.26 -4.87 119.74 119.34 5rxn s LYS 2 Ca 0.00 1.37 -0.21 0.00 0.02 0.00 0.00 55.97 57.15 5rxn s LYS 2 Cb 0.00 -2.46 -0.09 0.00 -0.52 0.00 0.00 37.83 34.76 5rxn s LYS 2 CO 0.00 -0.07 1.02 0.15 -0.92 0.00 0.00 175.35 175.52 5rxn s LYS 3 N -2.65 3.96 0.05 1.68 1.02 -1.26 -4.59 119.74 117.95 5rxn s LYS 3 Ca 0.58 1.32 0.08 0.00 0.02 0.00 0.00 55.97 57.97 5rxn s LYS 3 Cb -0.18 -2.17 -0.03 0.00 -0.52 0.00 0.00 37.83 34.93 5rxn s LYS 3 CO 0.23 -0.29 -0.22 0.71 -0.92 0.00 0.00 175.35 174.86 5rxn s TYR 4 N -1.99 1.90 -0.04 3.18 2.02 -0.86 -0.32 117.35 121.24 5rxn s TYR 4 Ca 0.65 -0.39 0.05 0.00 -0.37 0.00 0.00 57.07 57.01 5rxn s TYR 4 Cb -0.15 -1.12 -0.02 0.00 -0.40 0.00 0.00 41.96 40.27 5rxn s TYR 4 CO 0.19 0.12 -0.17 -0.08 -1.57 0.00 0.00 175.55 174.04 5rxn s THR 5 N -0.85 2.82 -0.22 -0.71 -1.32 0.71 0.13 115.64 116.19 5rxn s THR 5 Ca 0.08 -0.83 -0.29 0.00 -1.21 0.00 0.00 61.69 59.44 5rxn s THR 5 Cb -0.09 -2.08 -0.01 0.00 -1.51 0.00 0.00 72.50 68.81 5rxn s THR 5 CO 0.02 0.58 1.35 0.00 -2.21 0.00 0.00 174.62 174.36 5rxn n THR 7 N 5.87 0.19 -0.00 0.00 -2.24 -0.21 -0.32 114.28 117.57 5rxn n THR 7 Ca 0.15 0.05 -0.20 0.00 -2.27 0.00 0.00 64.05 61.78 5rxn n THR 7 Cb 0.45 -0.60 -0.14 0.00 -2.10 0.00 0.00 70.33 67.95 5rxn n THR 7 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 5rxn h VAL 8 N 0.00 1.25 0.00 2.28 2.07 -1.91 -3.43 116.25 116.52 5rxn h VAL 8 Ca 0.00 -2.41 0.00 0.00 0.82 0.00 0.00 66.70 65.11 5rxn h VAL 8 Cb 0.40 2.89 0.00 0.00 -1.52 0.00 0.00 31.29 33.06 5rxn h VAL 8 CO 0.00 0.66 -0.35 0.00 0.02 0.00 0.00 177.57 177.89 5rxn n GLY 10 N 1.52 0.86 3.64 0.00 0.00 0.56 -5.04 105.19 106.73 5rxn n GLY 10 Ca 0.00 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.57 5rxn n GLY 10 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 5rxn n TYR 11 N -2.00 1.81 -3.94 1.61 9.36 -1.26 -4.65 117.16 118.10 5rxn n TYR 11 Ca 0.00 0.57 -0.35 0.00 3.32 0.00 0.00 57.90 61.43 5rxn n TYR 11 Cb 0.00 -2.37 -0.14 0.00 -0.63 0.00 0.00 39.34 36.21 5rxn n TYR 11 CO 0.00 0.00 0.00 0.42 0.22 0.00 0.00 176.86 177.50 5rxn s ILE 12 N -0.52 3.57 -0.24 2.97 1.09 -1.26 0.08 121.20 126.89 5rxn s ILE 12 Ca 0.64 -0.43 -0.27 0.00 -1.10 0.00 0.00 60.65 59.49 5rxn s ILE 12 Cb -0.68 -2.63 0.00 0.00 -1.06 0.00 0.00 42.46 38.09 5rxn s ILE 12 CO 0.55 0.42 0.95 -0.47 -0.10 0.00 0.00 174.94 176.28 5rxn s TYR 13 N 1.39 3.31 -0.32 3.97 5.04 0.12 -4.97 117.35 125.89 5rxn s TYR 13 Ca 0.05 1.30 -0.05 0.00 -2.44 0.00 0.00 57.07 55.93 5rxn s TYR 13 Cb -0.14 -3.20 0.04 0.00 0.35 0.00 0.00 41.96 39.01 5rxn s TYR 13 CO -0.01 -0.46 0.07 0.34 -1.34 0.00 0.00 175.55 174.14 5rxn s ASP 14 N 1.29 5.16 0.65 4.32 -1.08 -1.26 -2.03 116.67 123.73 5rxn s ASP 14 Ca 0.40 -1.18 0.38 0.00 -0.52 0.00 0.00 52.55 51.63 5rxn s ASP 14 Cb -0.15 -1.81 2.11 0.00 -1.46 0.00 0.00 42.92 41.60 5rxn s ASP 14 CO 0.07 -0.30 2.24 1.55 0.52 0.00 0.00 175.17 179.25 5rxn h PRO 15 N 8.14 0.00 -0.04 4.34 0.13 -1.82 -0.69 132.00 142.07 5rxn h PRO 15 Ca -0.23 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.83 5rxn h PRO 15 Cb 1.08 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.19 5rxn h PRO 15 CO 0.58 0.00 -0.33 0.93 -0.23 0.00 0.00 178.00 178.94 5rxn h GLU 16 N 0.00 0.08 0.00 0.86 5.08 -1.93 0.23 114.58 118.89 5rxn h GLU 16 Ca 0.01 -0.03 -0.33 0.00 -1.00 0.00 0.00 59.36 58.01 5rxn h GLU 16 Cb 0.19 -0.01 -0.06 0.00 0.50 0.00 0.00 28.75 29.38 5rxn h GLU 16 CO -0.00 0.40 -2.03 -0.25 -1.00 0.00 0.00 179.01 176.13 5rxn n ASP 17 N -4.12 0.55 0.00 1.42 10.43 -0.46 -4.30 116.55 120.06 5rxn n ASP 17 Ca -0.02 0.22 0.00 0.00 2.57 0.00 0.00 54.79 57.56 5rxn n ASP 17 Cb 0.39 0.37 0.00 0.00 1.84 0.00 0.00 41.12 43.72 5rxn n ASP 17 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 5rxn n GLY 18 N 1.67 0.52 2.31 0.44 0.00 -0.39 -4.15 105.19 105.58 5rxn n GLY 18 Ca -0.25 -0.81 -0.20 0.00 0.00 0.00 0.00 46.02 44.77 5rxn n GLY 18 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 5rxn n ASP 19 N -1.94 -0.35 0.03 1.61 2.03 0.59 -4.72 116.55 113.79 5rxn n ASP 19 Ca 0.00 -2.90 0.03 0.00 0.52 0.00 0.00 54.79 52.45 5rxn n ASP 19 Cb 0.00 -0.10 0.41 0.00 -0.72 0.00 0.00 41.12 40.71 5rxn n ASP 19 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 5rxn h PRO 20 N 3.78 0.47 0.00 -0.67 0.13 -1.63 -1.71 132.00 132.38 5rxn h PRO 20 Ca 0.03 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 65.11 5rxn h PRO 20 Cb 0.93 -0.10 0.00 0.00 0.13 0.00 0.00 31.00 31.96 5rxn h PRO 20 CO 0.43 0.37 0.00 -0.25 -0.23 0.00 0.00 178.00 178.32 5rxn n ASP 21 N -4.43 0.30 -0.79 1.44 8.00 -1.26 -1.18 116.55 118.63 5rxn n ASP 21 Ca 0.02 0.59 0.08 0.00 0.71 0.00 0.00 54.79 56.18 5rxn n ASP 21 Cb 0.11 -0.64 0.23 0.00 -0.02 0.00 0.00 41.12 40.79 5rxn n ASP 21 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 5rxn n ASP 22 N -1.84 3.57 0.00 -2.24 8.00 -0.72 -4.96 116.55 118.36 5rxn n ASP 22 Ca 0.02 -2.75 0.00 0.00 0.71 0.00 0.00 54.79 52.77 5rxn n ASP 22 Cb 0.16 -0.45 0.00 0.00 -0.02 0.00 0.00 41.12 40.80 5rxn n ASP 22 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 5rxn n GLY 23 N -0.28 0.55 3.22 0.44 0.00 -0.32 -5.01 105.19 103.79 5rxn n GLY 23 Ca 0.18 -0.41 -0.40 0.00 0.00 0.00 0.00 46.02 45.40 5rxn n GLY 23 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 5rxn s VAL 24 N -2.00 4.13 0.63 1.61 1.01 -0.77 -4.96 120.40 120.05 5rxn s VAL 24 Ca 0.00 -1.68 -0.15 0.00 0.00 0.00 0.00 61.98 60.15 5rxn s VAL 24 Cb 0.00 -3.66 -0.02 0.00 0.00 0.00 0.00 36.38 32.70 5rxn s VAL 24 CO 0.00 -0.68 1.08 0.20 0.00 0.00 0.00 175.10 175.71 5rxn s ASN 25 N 2.42 5.43 0.29 3.32 -0.87 -1.26 -0.30 114.94 123.97 5rxn s ASN 25 Ca 0.05 1.90 -0.29 0.00 -1.57 0.00 0.00 52.86 52.96 5rxn s ASN 25 Cb -0.25 -2.54 -0.14 0.00 -0.02 0.00 0.00 41.25 38.31 5rxn s ASN 25 CO -0.00 -1.41 1.14 -2.65 -2.57 0.00 0.00 177.10 171.61 5rxn n PRO 26 N -2.26 1.64 -0.61 -0.60 -0.02 -1.26 -2.41 135.00 129.49 5rxn n PRO 26 Ca 0.09 0.58 0.00 0.00 -2.02 0.00 0.00 63.50 62.15 5rxn n PRO 26 Cb 0.52 -2.05 0.00 0.00 -0.02 0.00 0.00 33.50 31.96 5rxn n PRO 26 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 5rxn n GLY 27 N 1.22 0.73 3.61 -1.23 0.00 0.80 -4.91 105.19 105.40 5rxn n GLY 27 Ca 0.09 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.70 5rxn n GLY 27 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 5rxn s THR 28 N -2.39 5.00 0.57 2.61 2.01 -1.01 -5.02 115.64 117.42 5rxn s THR 28 Ca 0.00 0.88 -0.20 0.00 0.31 0.00 0.00 61.69 62.68 5rxn s THR 28 Cb 0.00 -3.92 -0.04 0.00 0.01 0.00 0.00 72.50 68.55 5rxn s THR 28 CO 0.00 -0.03 1.27 -0.62 -0.69 0.00 0.00 174.62 174.55 5rxn s ASP 29 N 1.58 5.21 0.25 3.53 3.68 -1.26 -4.62 116.67 125.04 5rxn s ASP 29 Ca 0.23 2.54 -0.03 0.00 2.13 0.00 0.00 52.55 57.43 5rxn s ASP 29 Cb -0.15 -2.61 0.49 0.00 -1.45 0.00 0.00 42.92 39.20 5rxn s ASP 29 CO 0.10 -1.59 1.73 0.15 0.13 0.00 0.00 175.17 175.69 5rxn h PHE 30 N 1.13 0.56 0.00 -5.34 3.04 -1.96 -0.81 116.94 113.57 5rxn h PHE 30 Ca -0.51 0.04 0.00 0.00 3.98 0.00 0.00 57.97 61.48 5rxn h PHE 30 Cb 1.30 -0.13 0.00 0.00 2.56 0.00 0.00 35.95 39.68 5rxn h PHE 30 CO 0.46 0.07 0.00 1.57 -2.02 0.00 0.00 178.31 178.39 5rxn h LYS 31 N 0.47 0.00 -0.08 1.11 2.10 -1.98 -2.17 116.57 116.01 5rxn h LYS 31 Ca 0.44 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.09 5rxn h LYS 31 Cb 0.67 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.00 5rxn h LYS 31 CO -0.41 0.00 0.00 -0.25 -2.00 0.00 0.00 179.45 176.79 5rxn n ASP 32 N -3.03 2.51 -4.72 7.07 8.00 -0.32 -4.86 116.55 121.19 5rxn n ASP 32 Ca -0.01 -1.83 -0.42 0.00 0.71 0.00 0.00 54.79 53.24 5rxn n ASP 32 Cb 0.18 -0.04 -0.03 0.00 -0.02 0.00 0.00 41.12 41.21 5rxn n ASP 32 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 5rxn s ILE 33 N -1.92 3.00 0.24 0.53 1.01 -0.82 -4.91 121.20 118.33 5rxn s ILE 33 Ca 0.33 0.75 -0.31 0.00 0.00 0.00 0.00 60.65 61.41 5rxn s ILE 33 Cb 0.20 -3.48 -0.14 0.00 0.01 0.00 0.00 42.46 39.06 5rxn s ILE 33 CO 0.31 0.07 1.32 -2.65 0.00 0.00 0.00 174.94 173.99 5rxn n PRO 34 N 3.59 1.81 0.00 2.79 -0.02 -1.26 -4.84 135.00 137.07 5rxn n PRO 34 Ca 0.11 0.64 0.06 0.00 -2.02 0.00 0.00 63.50 62.29 5rxn n PRO 34 Cb 0.41 -2.24 0.29 0.00 -0.02 0.00 0.00 33.50 31.94 5rxn n PRO 34 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 5rxn n ASP 35 N 1.97 0.00 -0.86 2.55 10.43 -1.26 -1.39 116.55 128.00 5rxn n ASP 35 Ca 0.12 0.04 0.12 0.00 2.57 0.00 0.00 54.79 57.64 5rxn n ASP 35 Cb 0.30 -0.24 0.26 0.00 1.84 0.00 0.00 41.12 43.28 5rxn n ASP 35 CO 0.00 0.00 0.00 -0.90 -1.07 0.00 0.00 177.20 175.23 5rxn n ASP 36 N -1.24 2.62 -4.76 -2.24 3.85 -1.26 -4.77 116.55 108.75 5rxn n ASP 36 Ca 0.06 -1.86 -0.38 0.00 -0.71 0.00 0.00 54.79 51.90 5rxn n ASP 36 Cb 0.08 -0.08 0.01 0.00 -1.35 0.00 0.00 41.12 39.77 5rxn n ASP 36 CO 0.00 0.00 0.00 0.86 -1.01 0.00 0.00 177.20 177.05 5rxn s TRP 37 N -1.83 2.69 0.13 2.11 -0.00 -0.48 -5.03 118.94 116.52 5rxn s TRP 37 Ca 0.34 1.46 0.06 0.00 -0.00 0.00 0.00 56.10 57.95 5rxn s TRP 37 Cb 0.21 -3.58 -0.04 0.00 -0.00 0.00 0.00 33.47 30.06 5rxn s TRP 37 CO 0.31 -2.06 -0.15 0.14 -0.00 0.00 0.00 176.95 175.19 5rxn s VAL 38 N -1.40 1.41 -0.13 5.86 -7.23 -1.26 -3.83 120.40 113.83 5rxn s VAL 38 Ca 0.64 -1.77 -0.37 0.00 -1.81 0.00 0.00 61.98 58.67 5rxn s VAL 38 Cb -0.35 -1.60 -0.14 0.00 0.56 0.00 0.00 36.38 34.85 5rxn s VAL 38 CO 0.42 -0.42 1.74 0.00 -0.31 0.00 0.00 175.10 176.53 5rxn h PRO 40 N 7.57 0.00 0.07 0.00 0.13 -1.97 0.21 132.00 138.01 5rxn h PRO 40 Ca -0.47 0.00 -0.27 0.00 -0.87 0.00 0.00 66.00 64.38 5rxn h PRO 40 Cb 1.30 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.41 5rxn h PRO 40 CO 0.93 0.00 -1.46 -0.07 -0.23 0.00 0.00 178.00 177.17 5rxn h LEU 41 N 0.00 0.22 0.00 1.56 3.38 -1.99 -3.43 115.31 115.05 5rxn h LEU 41 Ca 0.08 -0.74 0.00 0.00 0.09 0.00 0.00 57.88 57.31 5rxn h LEU 41 Cb 0.34 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.02 5rxn h LEU 41 CO -0.00 1.61 -0.30 0.00 0.09 0.00 0.00 178.44 179.84 5rxn n GLY 43 N 1.17 0.72 3.85 0.00 0.00 0.74 -4.97 105.19 106.69 5rxn n GLY 43 Ca 0.01 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.71 5rxn n GLY 43 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 5rxn s VAL 44 N -2.79 4.50 1.04 1.61 -7.23 -1.26 -4.57 120.40 111.70 5rxn s VAL 44 Ca 0.00 1.07 -0.15 0.00 -1.81 0.00 0.00 61.98 61.10 5rxn s VAL 44 Cb 0.00 -3.72 0.21 0.00 0.56 0.00 0.00 36.38 33.43 5rxn s VAL 44 CO 0.00 -0.81 1.12 -0.83 -0.31 0.00 0.00 175.10 174.27 5rxn s GLY 45 N -3.39 1.58 0.54 2.32 0.00 -1.26 -0.31 107.32 106.80 5rxn s GLY 45 Ca 0.58 -0.63 0.21 0.00 0.00 0.00 0.00 44.72 44.89 5rxn s GLY 45 CO 0.39 0.07 2.15 0.50 0.00 0.00 0.00 173.10 176.20 5rxn h LYS 46 N -2.00 0.00 0.00 2.90 1.57 -1.86 -2.39 116.57 114.78 5rxn h LYS 46 Ca -0.51 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.27 5rxn h LYS 46 Cb 1.32 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.63 5rxn h LYS 46 CO 0.51 0.00 0.00 -0.40 -0.57 0.00 0.00 179.45 178.99 5rxn n ASP 47 N -4.29 0.15 -1.43 0.86 3.85 -1.26 -1.38 116.55 113.04 5rxn n ASP 47 Ca -0.01 0.55 0.11 0.00 -0.71 0.00 0.00 54.79 54.73 5rxn n ASP 47 Cb 0.18 -0.57 0.34 0.00 -1.35 0.00 0.00 41.12 39.71 5rxn n ASP 47 CO 0.00 0.00 0.00 -0.62 -1.01 0.00 0.00 177.20 175.57 5rxn n GLU 48 N -1.67 2.97 -3.48 0.11 -0.58 -0.90 -4.93 120.64 112.16 5rxn n GLU 48 Ca 0.02 -2.72 -0.29 0.00 -0.42 0.00 0.00 57.16 53.76 5rxn n GLU 48 Cb 0.12 -1.66 -0.03 0.00 -0.57 0.00 0.00 31.44 29.30 5rxn n GLU 48 CO 0.00 0.00 0.00 -0.06 -0.48 0.00 0.00 177.13 176.59 5rxn s PHE 49 N -1.22 3.48 0.03 -0.32 0.40 -0.48 -1.04 117.98 118.82 5rxn s PHE 49 Ca 0.50 0.55 0.03 0.00 -0.60 0.00 0.00 56.93 57.41 5rxn s PHE 49 Cb 0.28 -2.03 -0.02 0.00 0.51 0.00 0.00 43.02 41.76 5rxn s PHE 49 CO 0.31 0.26 -0.09 -1.21 0.70 0.00 0.00 175.22 175.20 5rxn s GLU 50 N -3.36 0.63 0.29 0.44 2.02 -0.51 -4.94 118.70 113.26 5rxn s GLU 50 Ca 0.42 -0.58 -0.30 0.00 0.02 0.00 0.00 54.97 54.53 5rxn s GLU 50 Cb -0.11 -0.53 -0.11 0.00 0.10 0.00 0.00 34.13 33.47 5rxn s GLU 50 CO 0.29 0.13 1.59 -2.00 0.02 0.00 0.00 175.26 175.28 5rxn s GLU 51 N -1.00 4.13 -0.67 1.61 2.12 -1.26 -0.21 118.70 123.42 5rxn s GLU 51 Ca -0.03 2.57 -0.24 0.00 0.36 0.00 0.00 54.97 57.63 5rxn s GLU 51 Cb -0.07 -3.03 0.06 0.00 0.26 0.00 0.00 34.13 31.35 5rxn s GLU 51 CO 0.00 -0.63 1.05 0.08 -0.54 0.00 0.00 175.26 175.23 5rxn s VAL 52 N 0.01 4.16 -0.08 3.70 1.01 0.57 -4.83 120.40 124.94 5rxn s VAL 52 Ca 0.63 -0.06 -0.05 0.00 0.00 0.00 0.00 61.98 62.50 5rxn s VAL 52 Cb -0.48 -4.74 -0.04 0.00 0.00 0.00 0.00 36.38 31.13 5rxn s VAL 52 CO 0.48 -1.53 0.12 -1.61 0.00 0.00 0.00 175.10 172.56 5rxn s GLU 53 N 4.53 3.33 0.00 2.72 2.02 -1.26 -4.52 118.70 125.51 5rxn s GLU 53 Ca 0.27 -0.25 0.00 0.00 0.02 0.00 0.00 54.97 55.00 5rxn s GLU 53 Cb -0.14 -3.07 0.00 0.00 0.10 0.00 0.00 34.13 31.02 5rxn s GLU 53 CO 0.13 0.73 0.00 -0.85 0.02 0.00 0.00 175.26 175.29