#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2nle h HIS 2 N 0.00 0.21 -0.25 2.11 -0.00 -1.94 0.12 115.15 115.40 2nle h HIS 2 Ca 0.00 0.04 -0.01 0.00 -0.00 0.00 0.00 60.37 60.39 2nle h HIS 2 Cb 0.00 -0.00 -0.01 0.00 -0.00 0.00 0.00 27.41 27.40 2nle h HIS 2 CO 0.00 -0.02 0.11 -0.92 -0.00 0.00 0.00 177.93 177.10 2nle h TYR 3 N 0.27 0.38 -0.62 5.26 3.20 -1.99 -0.64 116.97 122.82 2nle h TYR 3 Ca 0.31 -0.02 -0.07 0.00 3.14 0.00 0.00 58.73 62.08 2nle h TYR 3 Cb 0.45 -0.11 -0.02 0.00 1.54 0.00 0.00 36.73 38.58 2nle h TYR 3 CO -0.24 0.38 0.10 -0.97 -1.64 0.00 0.00 178.16 175.78 2nle h ASN 4 N 0.27 0.99 0.58 -2.11 -1.24 -1.88 -0.26 115.58 111.93 2nle h ASN 4 Ca 0.09 -0.26 -0.03 0.00 0.71 0.00 0.00 56.30 56.81 2nle h ASN 4 Cb 0.15 -0.26 0.00 0.00 0.73 0.00 0.00 38.32 38.94 2nle h ASN 4 CO -0.01 1.00 -0.29 0.00 -1.29 0.00 0.00 177.43 176.84 2nle h VAL 6 N -0.80 1.30 0.00 0.00 2.07 -1.10 0.15 116.25 117.87 2nle h VAL 6 Ca -0.08 -1.80 -0.02 0.00 0.82 0.00 0.00 66.70 65.62 2nle h VAL 6 Cb 0.62 1.89 -0.00 0.00 -1.52 0.00 0.00 31.29 32.28 2nle h VAL 6 CO 0.12 0.57 -0.09 0.77 0.02 0.00 0.00 177.57 178.96 2nle h SER 7 N 0.46 0.00 -0.63 0.57 4.64 -1.04 -1.75 113.55 115.80 2nle h SER 7 Ca -0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 2nle h SER 7 Cb 1.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 2nle h SER 7 CO 0.13 0.09 0.00 -1.20 -0.87 0.00 0.00 176.83 174.97 2nle n SER 8 N -3.63 4.19 0.00 4.97 7.64 -0.89 -4.93 113.62 120.98 2nle n SER 8 Ca -0.02 -2.28 0.00 0.00 1.01 0.00 0.00 58.87 57.58 2nle n SER 8 Cb 0.20 -0.53 0.00 0.00 -1.01 0.00 0.00 64.21 62.88 2nle n SER 8 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2nle n GLY 9 N 1.24 0.62 4.02 0.23 0.00 -0.66 -5.06 105.19 105.59 2nle n GLY 9 Ca 0.24 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.04 2nle n GLY 9 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2nle s GLY 10 N -1.08 1.73 0.03 -0.02 0.00 0.50 -4.86 107.32 103.61 2nle s GLY 10 Ca 0.00 -2.06 -0.04 0.00 0.00 0.00 0.00 44.72 42.62 2nle s GLY 10 CO 0.00 -1.53 0.07 -0.86 0.00 0.00 0.00 173.10 170.78 2nle s GLN 11 N -4.85 0.53 -0.14 2.90 0.00 -0.21 -3.98 119.66 113.90 2nle s GLN 11 Ca 0.64 -0.71 -0.13 0.00 -0.00 0.00 0.00 55.36 55.16 2nle s GLN 11 Cb -0.05 0.20 -0.05 0.00 0.00 0.00 0.00 33.01 33.12 2nle s GLN 11 CO 0.41 -0.12 0.28 0.00 0.00 0.00 0.00 175.29 175.86 2nle s ALA 13 N 0.09 0.74 0.02 0.00 0.00 0.58 -4.93 121.76 118.26 2nle s ALA 13 Ca 0.17 -0.37 0.11 0.00 0.00 0.00 0.00 51.96 51.86 2nle s ALA 13 Cb -0.13 -0.20 -0.22 0.00 0.00 0.00 0.00 23.12 22.57 2nle s ALA 13 CO 0.05 0.17 0.88 1.88 0.00 0.00 0.00 175.76 178.75 2nle h TYR 14 N 5.97 0.00 -0.36 0.00 -1.99 -1.88 0.18 116.97 118.90 2nle h TYR 14 Ca -0.31 -0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.42 2nle h TYR 14 Cb 1.18 -0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.91 2nle h TYR 14 CO 0.41 1.00 0.00 0.43 -0.00 0.00 0.00 178.16 180.00 2nle n SER 15 N -3.16 0.00 -4.75 3.88 7.64 -1.26 -4.83 113.62 111.14 2nle n SER 15 Ca -0.11 0.00 -0.35 0.00 1.01 0.00 0.00 58.87 59.42 2nle n SER 15 Cb 1.01 0.00 0.04 0.00 -1.01 0.00 0.00 64.21 64.25 2nle n SER 15 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2nle s ALA 16 N -2.72 2.48 0.57 -0.43 0.00 -1.26 -4.89 121.76 115.52 2nle s ALA 16 Ca 0.00 0.87 -0.21 0.00 0.00 0.00 0.00 51.96 52.63 2nle s ALA 16 Cb 0.00 -3.42 -0.04 0.00 0.00 0.00 0.00 23.12 19.66 2nle s ALA 16 CO 0.00 -1.24 1.28 0.00 0.00 0.00 0.00 175.76 175.80 2nle s PRO 18 N -2.94 0.32 0.33 0.00 0.04 -1.26 -4.87 135.00 126.62 2nle s PRO 18 Ca 0.74 0.97 -0.29 0.00 0.04 0.00 0.00 61.00 62.46 2nle s PRO 18 Cb -0.41 -1.69 -0.11 0.00 0.04 0.00 0.00 34.50 32.32 2nle s PRO 18 CO 0.47 -2.92 1.56 -1.50 0.04 0.00 0.00 177.00 174.64 2nle s ILE 19 N -2.70 2.03 -0.55 0.56 2.07 -1.26 -2.15 121.20 119.20 2nle s ILE 19 Ca 0.66 0.02 0.00 0.00 -1.41 0.00 0.00 60.65 59.93 2nle s ILE 19 Cb -0.22 -3.02 0.00 0.00 0.13 0.00 0.00 42.46 39.36 2nle s ILE 19 CO 0.60 0.00 0.00 0.49 -1.91 0.00 0.00 174.94 174.13 2nle n PHE 20 N 1.40 0.00 -4.32 3.50 3.01 -1.26 -5.03 117.46 114.75 2nle n PHE 20 Ca 0.05 0.00 -0.17 0.00 1.01 0.00 0.00 57.45 58.34 2nle n PHE 20 Cb 0.38 -1.24 -0.10 0.00 -0.01 0.00 0.00 39.48 38.51 2nle n PHE 20 CO 0.00 0.00 0.00 0.95 1.01 0.00 0.00 176.76 178.72 2nle s THR 21 N -2.19 0.73 0.13 4.37 -4.23 -0.92 -4.98 115.64 108.56 2nle s THR 21 Ca 0.00 -2.00 -0.09 0.00 -1.18 0.00 0.00 61.69 58.42 2nle s THR 21 Cb 0.00 -2.53 -0.00 0.00 1.34 0.00 0.00 72.50 71.31 2nle s THR 21 CO 0.00 -0.13 0.25 -1.59 -0.54 0.00 0.00 174.62 172.61 2nle s LYS 22 N -3.97 1.02 0.21 3.99 -2.85 -0.05 -4.75 119.74 113.34 2nle s LYS 22 Ca 0.34 -1.06 -0.30 0.00 -1.00 0.00 0.00 55.97 53.94 2nle s LYS 22 Cb 0.07 0.37 -0.10 0.00 -2.06 0.00 0.00 37.83 36.11 2nle s LYS 22 CO 0.12 -0.36 1.44 -1.50 0.10 0.00 0.00 175.35 175.15 2nle s ILE 23 N -3.91 2.80 -0.46 3.79 2.07 -1.26 -0.63 121.20 123.60 2nle s ILE 23 Ca 0.11 0.64 0.06 0.00 -1.41 0.00 0.00 60.65 60.05 2nle s ILE 23 Cb 0.04 -3.41 0.19 0.00 0.13 0.00 0.00 42.46 39.41 2nle s ILE 23 CO -0.05 0.08 0.56 0.00 -1.91 0.00 0.00 174.94 173.62 2nle n GLN 24 N 2.91 0.41 0.00 3.50 6.02 0.10 -4.89 117.38 125.44 2nle n GLN 24 Ca 0.09 -2.58 0.00 0.00 -0.01 0.00 0.00 57.00 54.49 2nle n GLN 24 Cb 0.40 -1.54 0.00 0.00 1.02 0.00 0.00 30.24 30.12 2nle n GLN 24 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2nle n GLY 25 N 2.72 -1.81 3.32 1.08 0.00 -1.26 -4.51 105.19 104.73 2nle n GLY 25 Ca 0.23 -1.83 -0.17 0.00 0.00 0.00 0.00 46.02 44.25 2nle n GLY 25 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2nle s THR 26 N 0.00 0.62 0.07 2.61 -4.23 -1.26 -0.91 115.64 112.55 2nle s THR 26 Ca 0.00 -2.00 -0.00 0.00 -1.18 0.00 0.00 61.69 58.51 2nle s THR 26 Cb 0.00 -2.62 -0.04 0.00 1.34 0.00 0.00 72.50 71.18 2nle s THR 26 CO 0.00 -0.03 -0.03 0.00 -0.54 0.00 0.00 174.62 174.02 2nle n TYR 28 N 0.04 -2.08 -3.44 0.00 0.53 -1.26 -1.31 117.16 109.64 2nle n TYR 28 Ca -0.12 0.78 -0.24 0.00 -1.02 0.00 0.00 57.90 57.30 2nle n TYR 28 Cb 0.61 -4.24 0.06 0.00 -1.03 0.00 0.00 39.34 34.74 2nle n TYR 28 CO 0.00 0.00 0.00 0.54 -1.02 0.00 0.00 176.86 176.38 2nle n ARG 29 N -3.31 -6.54 -0.94 -0.72 1.74 -1.26 -1.12 116.66 104.51 2nle n ARG 29 Ca -0.14 0.82 0.00 0.00 -0.77 0.00 0.00 57.85 57.76 2nle n ARG 29 Cb 0.62 -5.78 0.00 0.00 -1.02 0.00 0.00 32.46 26.28 2nle n ARG 29 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2nle n GLY 30 N -1.79 0.67 0.19 -0.13 0.00 -1.12 -4.89 105.19 98.13 2nle n GLY 30 Ca -0.03 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.06 2nle n GLY 30 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2nle h LYS 31 N 1.89 0.00 -5.05 1.61 1.57 -0.70 -3.46 116.57 112.42 2nle h LYS 31 Ca 0.00 0.00 -0.36 0.00 -1.87 0.00 0.00 60.65 58.42 2nle h LYS 31 Cb 0.06 0.00 -0.14 0.00 0.08 0.00 0.00 32.23 32.23 2nle h LYS 31 CO 0.00 0.32 -0.66 0.00 -0.57 0.00 0.00 179.45 178.54 2nle s ALA 32 N -3.46 1.72 0.12 3.86 0.00 -0.43 -4.83 121.76 118.75 2nle s ALA 32 Ca 0.01 -1.72 -0.12 0.00 0.00 0.00 0.00 51.96 50.14 2nle s ALA 32 Cb 0.10 0.46 -0.06 0.00 0.00 0.00 0.00 23.12 23.61 2nle s ALA 32 CO 0.68 -0.24 0.48 0.15 0.00 0.00 0.00 175.76 176.83 2nle s LYS 33 N -3.86 3.87 -0.24 0.00 1.02 0.64 -0.83 119.74 120.34 2nle s LYS 33 Ca 0.27 0.33 -0.21 0.00 0.02 0.00 0.00 55.97 56.38 2nle s LYS 33 Cb 0.05 -2.94 -0.02 0.00 -0.52 0.00 0.00 37.83 34.41 2nle s LYS 33 CO 0.07 0.50 0.66 0.00 -0.92 0.00 0.00 175.35 175.67