#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2df0 h LYS 2 N 0.00 -0.69 -2.69 9.51 3.64 -2.05 -2.97 116.57 121.32 2df0 h LYS 2 Ca 0.00 0.05 -0.28 0.00 -1.27 0.00 0.00 60.65 59.15 2df0 h LYS 2 Cb 0.00 0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 31.96 2df0 h LYS 2 CO 0.00 -0.46 1.15 -0.35 -2.27 0.00 0.00 179.45 177.52 2df0 n PRO 3 N -5.48 1.93 0.00 1.90 -0.04 -1.26 -4.93 135.00 127.12 2df0 n PRO 3 Ca -0.08 -1.12 0.00 0.00 -0.04 0.00 0.00 63.50 62.26 2df0 n PRO 3 Cb 0.40 -2.15 0.00 0.00 -0.04 0.00 0.00 33.50 31.72 2df0 n PRO 3 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2df0 n GLU 4 N 3.18 0.00 -3.67 0.54 1.02 -1.12 -4.88 120.64 115.71 2df0 n GLU 4 Ca 0.41 0.00 -0.09 0.00 -0.02 0.00 0.00 57.16 57.47 2df0 n GLU 4 Cb 0.46 0.00 -0.09 0.00 -0.02 0.00 0.00 31.44 31.79 2df0 n GLU 4 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2df0 s ALA 5 N -1.94 -1.31 0.78 0.62 0.00 -1.26 -3.76 121.76 114.89 2df0 s ALA 5 Ca 0.00 1.77 -0.14 0.00 0.00 0.00 0.00 51.96 53.59 2df0 s ALA 5 Cb 0.00 -1.17 0.07 0.00 0.00 0.00 0.00 23.12 22.02 2df0 s ALA 5 CO 0.00 -0.43 1.22 -2.14 0.00 0.00 0.00 175.76 174.41 2df0 s PRO 6 N 1.78 1.78 -0.05 0.00 0.02 -1.26 -5.05 135.00 132.22 2df0 s PRO 6 Ca -0.08 1.80 0.01 0.00 0.02 0.00 0.00 61.00 62.75 2df0 s PRO 6 Cb -0.09 -1.79 0.02 0.00 0.02 0.00 0.00 34.50 32.67 2df0 s PRO 6 CO -0.15 -2.12 -0.05 0.20 -0.33 0.00 0.00 177.00 174.56 2df0 s GLY 7 N -2.05 0.50 0.00 0.52 0.00 -1.26 -4.75 107.32 100.28 2df0 s GLY 7 Ca 0.74 -0.12 0.00 0.00 0.00 0.00 0.00 44.72 45.35 2df0 s GLY 7 CO 0.49 0.49 0.00 1.18 0.00 0.00 0.00 173.10 175.26 2df0 n GLU 8 N 4.17 -0.05 -2.76 2.90 -0.58 -1.26 -4.79 120.64 118.27 2df0 n GLU 8 Ca -0.22 0.01 -0.20 0.00 -0.42 0.00 0.00 57.16 56.33 2df0 n GLU 8 Cb 0.51 -3.18 -0.01 0.00 -0.57 0.00 0.00 31.44 28.19 2df0 n GLU 8 CO 0.00 0.00 0.00 -0.40 -0.48 0.00 0.00 177.13 176.25 2df0 n ASP 9 N -0.02 3.02 0.00 1.62 5.75 -1.26 -4.68 116.55 120.98 2df0 n ASP 9 Ca 0.00 -3.30 0.00 0.00 -0.01 0.00 0.00 54.79 51.48 2df0 n ASP 9 Cb 0.01 -0.53 0.00 0.00 -1.03 0.00 0.00 41.12 39.57 2df0 n ASP 9 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2df0 n ALA 10 N -0.17 0.00 -0.01 2.12 0.00 -1.26 -4.14 120.51 117.05 2df0 n ALA 10 Ca 0.26 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.69 2df0 n ALA 10 Cb 0.65 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 20.09 2df0 n ALA 10 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2df0 n SER 11 N 0.00 0.37 0.37 0.00 7.64 -1.26 -4.09 113.62 116.66 2df0 n SER 11 Ca 0.00 0.06 -0.18 0.00 1.01 0.00 0.00 58.87 59.76 2df0 n SER 11 Cb 0.00 -0.46 -0.09 0.00 -1.01 0.00 0.00 64.21 62.65 2df0 n SER 11 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 2df0 h PRO 12 N -0.17 -0.89 0.00 1.43 0.13 -1.98 -3.46 132.00 127.07 2df0 h PRO 12 Ca 0.00 0.06 -0.00 0.00 -0.87 0.00 0.00 66.00 65.19 2df0 h PRO 12 Cb 0.17 0.20 -0.00 0.00 0.13 0.00 0.00 31.00 31.50 2df0 h PRO 12 CO 0.00 -0.58 -0.00 -0.85 -0.23 0.00 0.00 178.00 176.34 2df0 n GLU 13 N -5.48 0.00 0.09 0.86 -0.00 -1.26 -4.91 120.64 109.94 2df0 n GLU 13 Ca -0.14 -0.00 0.11 0.00 -0.00 0.00 0.00 57.16 57.13 2df0 n GLU 13 Cb 0.37 0.33 0.45 0.00 -0.00 0.00 0.00 31.44 32.59 2df0 n GLU 13 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 2df0 n GLU 14 N -0.00 0.15 0.24 3.44 4.71 -1.26 -2.30 120.64 125.62 2df0 n GLU 14 Ca -0.00 0.34 0.13 0.00 -0.01 0.00 0.00 57.16 57.62 2df0 n GLU 14 Cb 0.34 -1.76 0.77 0.00 -1.01 0.00 0.00 31.44 29.78 2df0 n GLU 14 CO 0.00 0.00 0.00 1.25 0.09 0.00 0.00 177.13 178.47 2df0 h LEU 15 N 0.00 0.00 -0.62 -4.62 5.85 -1.72 -1.29 115.31 112.91 2df0 h LEU 15 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 2df0 h LEU 15 Cb 0.39 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.39 2df0 h LEU 15 CO 0.00 0.00 0.40 -1.13 -0.34 0.00 0.00 178.44 177.37 2df0 h ASN 16 N 0.00 0.72 1.21 1.25 -0.73 -1.82 -0.45 115.58 115.76 2df0 h ASN 16 Ca 0.04 -0.04 0.00 0.00 1.87 0.00 0.00 56.30 58.17 2df0 h ASN 16 Cb 0.18 -0.18 0.00 0.00 0.27 0.00 0.00 38.32 38.58 2df0 h ASN 16 CO -0.00 0.54 0.00 0.54 -0.37 0.00 0.00 177.43 178.14 2df0 n ARG 17 N -4.63 0.17 0.14 6.67 1.74 -0.54 -0.78 116.66 119.42 2df0 n ARG 17 Ca 0.05 0.18 -0.14 0.00 -0.77 0.00 0.00 57.85 57.17 2df0 n ARG 17 Cb 0.03 -1.72 -0.08 0.00 -1.02 0.00 0.00 32.46 29.68 2df0 n ARG 17 CO 0.00 0.00 0.00 -0.92 -1.52 0.00 0.00 177.63 175.19 2df0 h TYR 18 N 0.00 -0.27 0.00 -1.55 3.20 -0.52 0.29 116.97 118.12 2df0 h TYR 18 Ca 0.00 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.86 2df0 h TYR 18 Cb 0.60 0.09 0.00 0.00 1.54 0.00 0.00 36.73 38.96 2df0 h TYR 18 CO 0.00 -0.10 -0.20 0.66 -1.64 0.00 0.00 178.16 176.88 2df0 n TYR 19 N -5.17 0.13 -0.08 -3.82 4.01 -0.90 -1.40 117.16 109.93 2df0 n TYR 19 Ca -0.09 0.04 -0.14 0.00 -0.16 0.00 0.00 57.90 57.55 2df0 n TYR 19 Cb 0.17 -0.48 -0.10 0.00 -0.31 0.00 0.00 39.34 38.62 2df0 n TYR 19 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2df0 h ALA 20 N 2.92 0.08 -0.44 -0.72 0.00 -0.72 0.94 119.26 121.32 2df0 h ALA 20 Ca 0.00 -0.67 -0.07 0.00 0.00 0.00 0.00 54.91 54.18 2df0 h ALA 20 Cb 0.54 0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.58 2df0 h ALA 20 CO 0.00 0.26 0.00 0.77 0.00 0.00 0.00 179.25 180.28 2df0 h SER 21 N -1.00 0.69 -0.04 0.00 0.02 -0.52 0.14 113.55 112.84 2df0 h SER 21 Ca -0.11 -0.16 -0.10 0.00 -0.84 0.00 0.00 61.79 60.58 2df0 h SER 21 Cb 0.94 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 63.28 2df0 h SER 21 CO -0.07 0.76 -0.29 0.25 -1.14 0.00 0.00 176.83 176.34 2df0 h LEU 22 N 0.68 0.50 -0.87 5.07 5.85 -1.35 -1.60 115.31 123.59 2df0 h LEU 22 Ca 0.14 -0.18 -0.11 0.00 0.84 0.00 0.00 57.88 58.56 2df0 h LEU 22 Cb 0.42 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.30 2df0 h LEU 22 CO 0.02 0.77 -0.37 -0.09 -0.34 0.00 0.00 178.44 178.43 2df0 h ARG 23 N 0.43 0.39 -0.39 1.25 2.43 0.29 0.36 114.38 119.13 2df0 h ARG 23 Ca 0.06 -0.18 -0.09 0.00 -0.81 0.00 0.00 59.98 58.96 2df0 h ARG 23 Cb 0.72 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.25 2df0 h ARG 23 CO 0.06 0.70 -0.14 1.25 -1.51 0.00 0.00 179.97 180.33 2df0 h HIS 24 N 0.33 0.78 -0.45 2.20 2.76 -0.47 0.48 115.15 120.79 2df0 h HIS 24 Ca 0.03 -0.15 -0.05 0.00 -2.20 0.00 0.00 60.37 58.01 2df0 h HIS 24 Cb 0.80 -0.20 -0.02 0.00 1.55 0.00 0.00 27.41 29.55 2df0 h HIS 24 CO 0.02 0.81 0.08 -0.92 -1.30 0.00 0.00 177.93 176.62 2df0 h TYR 25 N 0.64 0.78 -0.27 5.26 3.20 -0.73 -0.55 116.97 125.31 2df0 h TYR 25 Ca 0.11 -0.10 -0.01 0.00 3.14 0.00 0.00 58.73 61.86 2df0 h TYR 25 Cb 0.60 -0.22 -0.01 0.00 1.54 0.00 0.00 36.73 38.64 2df0 h TYR 25 CO 0.03 0.73 0.11 -0.07 -1.64 0.00 0.00 178.16 177.32 2df0 h LEU 26 N 0.60 0.36 -2.03 2.82 3.38 0.08 0.14 115.31 120.65 2df0 h LEU 26 Ca 0.14 -0.15 0.03 0.00 0.09 0.00 0.00 57.88 57.98 2df0 h LEU 26 Cb 0.37 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 41.02 2df0 h LEU 26 CO 0.01 0.41 0.07 -1.13 0.09 0.00 0.00 178.44 177.89 2df0 h ASN 27 N 0.29 0.00 0.26 -0.43 -1.24 0.06 -1.84 115.58 112.67 2df0 h ASN 27 Ca 0.09 0.00 -0.01 0.00 0.71 0.00 0.00 56.30 57.09 2df0 h ASN 27 Cb 0.16 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.21 2df0 h ASN 27 CO -0.01 0.00 -0.12 0.25 -1.29 0.00 0.00 177.43 176.26 2df0 h LEU 28 N 0.00 -0.29 -1.67 0.34 5.85 -0.43 -3.35 115.31 115.75 2df0 h LEU 28 Ca 0.05 0.01 0.16 0.00 0.84 0.00 0.00 57.88 58.93 2df0 h LEU 28 Cb 0.20 0.08 -0.04 0.00 0.37 0.00 0.00 40.66 41.26 2df0 h LEU 28 CO -0.00 0.06 0.49 -0.37 -0.34 0.00 0.00 178.44 178.28 2df0 h VAL 29 N -0.88 0.77 0.00 1.05 -1.51 -0.79 0.37 116.25 115.26 2df0 h VAL 29 Ca -0.04 -0.11 0.00 0.00 -1.23 0.00 0.00 66.70 65.32 2df0 h VAL 29 Cb 0.26 0.42 0.00 0.00 -2.13 0.00 0.00 31.29 29.84 2df0 h VAL 29 CO 0.06 0.06 0.00 1.07 -1.23 0.00 0.00 177.57 177.53 2df0 n THR 30 N -4.45 0.61 -0.25 7.19 5.66 -0.71 0.09 114.28 122.41 2df0 n THR 30 Ca 0.14 0.15 -0.06 0.00 -3.05 0.00 0.00 64.05 61.23 2df0 n THR 30 Cb 0.57 -0.86 0.05 0.00 -1.55 0.00 0.00 70.33 68.54 2df0 n THR 30 CO 0.00 0.00 0.00 0.03 -3.05 0.00 0.00 175.07 172.05 2df0 h ARG 31 N 0.00 1.01 0.00 1.09 3.08 -0.39 -3.38 114.38 115.79 2df0 h ARG 31 Ca 0.00 -0.15 0.00 0.00 0.07 0.00 0.00 59.98 59.90 2df0 h ARG 31 Cb 0.22 -0.18 0.00 0.00 0.08 0.00 0.00 29.97 30.09 2df0 h ARG 31 CO 0.00 0.80 -0.94 0.00 -1.07 0.00 0.00 179.97 178.76 2df0 n GLN 32 N -4.43 0.41 0.00 0.04 -0.00 -1.09 -5.09 117.38 107.22 2df0 n GLN 32 Ca 0.06 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 57.06 2df0 n GLN 32 Cb 0.13 -0.97 0.00 0.00 -0.00 0.00 0.00 30.24 29.40 2df0 n GLN 32 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.06 177.60 2df0 n ARG 33 N -2.38 0.00 0.00 2.61 3.00 0.11 -5.16 116.66 114.84 2df0 n ARG 33 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.84 2df0 n ARG 33 Cb 0.47 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.93 2df0 n ARG 33 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.63 178.29