#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3df2 n ILE 4 N 0.00 0.00 -2.82 -0.61 -5.35 -1.26 -4.72 119.36 104.60 3df2 n ILE 4 Ca 0.00 0.00 -0.30 0.00 -0.27 0.00 0.00 62.75 62.18 3df2 n ILE 4 Cb 0.00 -0.32 -0.02 0.00 -1.74 0.00 0.00 39.64 37.56 3df2 n ILE 4 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 3df2 n ARG 5 N -0.96 3.74 -1.30 6.28 5.12 -1.26 -4.40 116.66 123.88 3df2 n ARG 5 Ca 0.00 -4.77 -0.41 0.00 -1.93 0.00 0.00 57.85 50.74 3df2 n ARG 5 Cb 0.00 -2.29 0.01 0.00 -1.16 0.00 0.00 32.46 29.01 3df2 n ARG 5 CO 0.00 0.00 0.00 0.39 -1.93 0.00 0.00 177.63 176.09 3df2 n GLU 6 N -0.23 0.08 -2.43 5.56 4.71 -1.24 -4.35 120.64 122.75 3df2 n GLU 6 Ca 0.36 0.03 -0.37 0.00 -0.01 0.00 0.00 57.16 57.16 3df2 n GLU 6 Cb 0.38 -1.09 -0.03 0.00 -1.01 0.00 0.00 31.44 29.69 3df2 n GLU 6 CO 0.00 0.00 0.00 0.15 0.09 0.00 0.00 177.13 177.37 3df2 s LYS 7 N -1.12 4.10 -0.01 3.49 1.02 -1.26 -3.00 119.74 122.96 3df2 s LYS 7 Ca 0.59 1.66 0.01 0.00 0.02 0.00 0.00 55.97 58.25 3df2 s LYS 7 Cb -0.57 -2.60 0.01 0.00 -0.52 0.00 0.00 37.83 34.14 3df2 s LYS 7 CO 0.63 -0.23 -0.01 0.42 -0.92 0.00 0.00 175.35 175.24 3df2 s ILE 8 N -1.54 0.14 -0.15 2.17 -1.09 0.19 -4.92 121.20 115.99 3df2 s ILE 8 Ca 0.58 -0.03 -0.03 0.00 -2.23 0.00 0.00 60.65 58.93 3df2 s ILE 8 Cb -0.26 -0.15 -0.02 0.00 -1.58 0.00 0.00 42.46 40.44 3df2 s ILE 8 CO 0.33 0.06 -0.05 -1.59 -1.23 0.00 0.00 174.94 172.45 3df2 s LYS 9 N 0.20 3.61 -0.38 2.79 0.00 -1.26 -0.28 119.74 124.42 3df2 s LYS 9 Ca -0.02 -0.55 -0.20 0.00 0.00 0.00 0.00 55.97 55.20 3df2 s LYS 9 Cb -0.04 -2.87 0.01 0.00 0.00 0.00 0.00 37.83 34.93 3df2 s LYS 9 CO -0.01 0.22 0.61 -0.51 0.00 0.00 0.00 175.35 175.66 3df2 s LEU 10 N 0.41 4.35 0.24 2.77 1.02 -0.85 -4.64 118.68 121.99 3df2 s LEU 10 Ca -0.05 -0.04 -0.21 0.00 0.02 0.00 0.00 54.13 53.85 3df2 s LEU 10 Cb -0.15 -2.72 -0.09 0.00 0.02 0.00 0.00 46.19 43.26 3df2 s LEU 10 CO 0.03 -0.63 0.77 -0.69 0.02 0.00 0.00 176.35 175.86 3df2 s VAL 11 N 2.67 4.49 -0.08 -1.59 1.01 -0.79 -0.76 120.40 125.35 3df2 s VAL 11 Ca 0.23 1.40 -0.30 0.00 0.00 0.00 0.00 61.98 63.31 3df2 s VAL 11 Cb -0.15 -3.89 -0.02 0.00 0.00 0.00 0.00 36.38 32.32 3df2 s VAL 11 CO 0.16 0.20 1.10 -0.55 0.00 0.00 0.00 175.10 176.01 3df2 s SER 12 N -1.64 7.15 0.48 3.32 0.15 -1.19 -2.11 113.70 119.86 3df2 s SER 12 Ca 0.44 1.67 0.14 0.00 0.70 0.00 0.00 55.95 58.91 3df2 s SER 12 Cb -0.17 -2.56 1.14 0.00 -1.71 0.00 0.00 66.02 62.72 3df2 s SER 12 CO 0.22 -0.51 2.10 0.77 1.20 0.00 0.00 173.24 177.01 3df2 h SER 13 N 7.26 0.17 -3.92 5.45 4.64 -0.93 -3.42 113.55 122.80 3df2 h SER 13 Ca -0.33 -0.00 -0.54 0.00 -0.47 0.00 0.00 61.79 60.45 3df2 h SER 13 Cb 1.16 -0.04 0.19 0.00 -0.31 0.00 0.00 62.40 63.39 3df2 h SER 13 CO 0.87 0.12 0.08 0.00 -0.87 0.00 0.00 176.83 177.02 3df2 n ALA 14 N -2.53 -0.68 -0.51 5.18 0.00 -1.26 -4.77 120.51 115.94 3df2 n ALA 14 Ca 0.01 -0.37 -0.06 0.00 0.00 0.00 0.00 53.44 53.02 3df2 n ALA 14 Cb 0.14 -2.12 -0.08 0.00 0.00 0.00 0.00 19.45 17.39 3df2 n ALA 14 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3df2 n GLY 15 N 0.86 2.03 3.41 0.00 0.00 -1.26 -4.77 105.19 105.46 3df2 n GLY 15 Ca 0.12 -0.56 -0.20 0.00 0.00 0.00 0.00 46.02 45.38 3df2 n GLY 15 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3df2 s THR 16 N 1.70 1.32 -1.34 2.61 -1.32 -1.26 -5.05 115.64 112.30 3df2 s THR 16 Ca 0.31 -2.05 0.24 0.00 -1.21 0.00 0.00 61.69 58.98 3df2 s THR 16 Cb 0.15 -2.56 0.00 0.00 -1.51 0.00 0.00 72.50 68.58 3df2 s THR 16 CO 0.00 -0.19 1.26 0.61 -2.21 0.00 0.00 174.62 174.09 3df2 n GLY 17 N -0.59 -0.83 3.48 6.08 0.00 -1.26 -4.69 105.19 107.38 3df2 n GLY 17 Ca -0.04 -0.48 -0.31 0.00 0.00 0.00 0.00 46.02 45.19 3df2 n GLY 17 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 3df2 n HIS 18 N -1.07 -0.71 -3.77 1.61 -0.00 -1.26 -4.88 115.22 105.14 3df2 n HIS 18 Ca 0.07 0.20 -0.00 0.00 -0.00 0.00 0.00 57.72 57.99 3df2 n HIS 18 Cb 0.36 -1.80 0.00 0.00 -0.00 0.00 0.00 29.99 28.55 3df2 n HIS 18 CO 0.00 0.00 0.00 -0.59 -0.00 0.00 0.00 176.34 175.75 3df2 s PHE 19 N -2.45 -0.02 0.38 1.57 -0.71 -1.26 -3.19 117.98 112.30 3df2 s PHE 19 Ca 0.62 -0.18 0.01 0.00 -1.04 0.00 0.00 56.93 56.33 3df2 s PHE 19 Cb -0.21 0.60 0.01 0.00 -1.21 0.00 0.00 43.02 42.20 3df2 s PHE 19 CO 0.64 -0.51 0.04 0.66 -1.34 0.00 0.00 175.22 174.71 3df2 n TYR 20 N -0.61 0.63 -3.75 3.49 4.01 0.06 -4.95 117.16 116.03 3df2 n TYR 20 Ca -0.04 -1.82 -0.13 0.00 -0.16 0.00 0.00 57.90 55.74 3df2 n TYR 20 Cb 0.61 -0.26 -0.10 0.00 -0.31 0.00 0.00 39.34 39.28 3df2 n TYR 20 CO 0.00 0.00 0.00 -0.08 -0.46 0.00 0.00 176.86 176.32 3df2 s THR 21 N -2.30 0.01 0.00 -0.72 -1.32 -1.26 -2.00 115.64 108.05 3df2 s THR 21 Ca 0.03 -0.06 0.00 0.00 -1.21 0.00 0.00 61.69 60.45 3df2 s THR 21 Cb -0.00 -0.53 0.00 0.00 -1.51 0.00 0.00 72.50 70.46 3df2 s THR 21 CO 0.02 -0.04 0.00 1.07 -2.21 0.00 0.00 174.62 173.47 3df2 n THR 22 N 2.65 0.00 -3.85 5.08 5.66 0.62 -4.97 114.28 119.48 3df2 n THR 22 Ca -0.14 0.00 -0.09 0.00 -3.05 0.00 0.00 64.05 60.76 3df2 n THR 22 Cb 0.57 0.00 -0.08 0.00 -1.55 0.00 0.00 70.33 69.28 3df2 n THR 22 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 3df2 s THR 23 N -2.16 0.13 0.05 1.09 -4.23 -1.26 0.53 115.64 109.78 3df2 s THR 23 Ca 0.00 -1.05 -0.09 0.00 -1.18 0.00 0.00 61.69 59.37 3df2 s THR 23 Cb 0.00 -1.16 0.00 0.00 1.34 0.00 0.00 72.50 72.68 3df2 s THR 23 CO 0.00 -0.58 0.19 -0.75 -0.54 0.00 0.00 174.62 172.93 3df2 s LYS 24 N -3.32 0.72 -1.25 3.99 2.20 -1.16 -4.91 119.74 116.00 3df2 s LYS 24 Ca 0.01 -0.71 -0.10 0.00 -0.36 0.00 0.00 55.97 54.81 3df2 s LYS 24 Cb 0.02 0.29 0.18 0.00 -1.51 0.00 0.00 37.83 36.82 3df2 s LYS 24 CO -0.08 -0.21 1.74 -1.71 -0.36 0.00 0.00 175.35 174.73 3df2 n ASN 25 N 0.53 5.23 -0.36 1.43 2.85 -1.26 -3.64 115.26 120.03 3df2 n ASN 25 Ca -0.18 -3.11 0.27 0.00 -0.11 0.00 0.00 54.58 51.45 3df2 n ASN 25 Cb 0.60 -1.48 0.52 0.00 1.24 0.00 0.00 39.78 40.66 3df2 n ASN 25 CO 0.00 0.00 0.00 0.50 -2.11 0.00 0.00 177.26 175.65 3df2 h LYS 26 N 6.02 0.27 -0.24 1.20 1.63 -1.77 0.66 116.57 124.34 3df2 h LYS 26 Ca 0.36 -0.02 0.07 0.00 -0.85 0.00 0.00 60.65 60.21 3df2 h LYS 26 Cb 0.68 -0.06 -0.01 0.00 -0.60 0.00 0.00 32.23 32.24 3df2 h LYS 26 CO 1.52 0.18 0.48 0.00 -3.45 0.00 0.00 179.45 178.18 3df2 h ARG 27 N 0.28 0.00 0.00 1.90 2.47 -1.87 -2.67 114.38 114.49 3df2 h ARG 27 Ca 0.73 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 59.45 3df2 h ARG 27 Cb 1.86 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 30.18 3df2 h ARG 27 CO -0.49 0.00 -0.20 0.25 0.56 0.00 0.00 179.97 180.08 3df2 n THR 28 N -3.24 0.00 -3.20 2.04 -2.24 0.20 -4.90 114.28 102.93 3df2 n THR 28 Ca 0.04 -0.16 -0.24 0.00 -2.27 0.00 0.00 64.05 61.42 3df2 n THR 28 Cb 0.59 0.71 -0.06 0.00 -2.10 0.00 0.00 70.33 69.48 3df2 n THR 28 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3df2 n LYS 29 N -0.62 1.66 -0.22 -0.78 4.76 0.63 -4.98 118.16 118.61 3df2 n LYS 29 Ca 0.00 -3.89 -0.00 0.00 -2.87 0.00 0.00 58.31 51.54 3df2 n LYS 29 Cb 0.00 -1.77 -0.01 0.00 -1.84 0.00 0.00 35.03 31.42 3df2 n LYS 29 CO 0.00 0.00 0.00 -2.30 -1.37 0.00 0.00 177.40 173.73 3df2 n PRO 30 N 0.68 0.45 -4.37 1.97 -0.02 -1.17 -4.50 135.00 128.03 3df2 n PRO 30 Ca 0.26 -0.03 -0.30 0.00 -2.02 0.00 0.00 63.50 61.41 3df2 n PRO 30 Cb 0.51 -1.32 -0.17 0.00 -0.02 0.00 0.00 33.50 32.50 3df2 n PRO 30 CO 0.00 0.00 0.00 -1.83 1.98 0.00 0.00 175.50 175.65 3df2 s GLU 31 N 1.24 2.42 -0.30 -0.52 1.03 -1.26 -5.05 118.70 116.26 3df2 s GLU 31 Ca 0.02 -0.62 -0.33 0.00 0.03 0.00 0.00 54.97 54.07 3df2 s GLU 31 Cb 0.01 -2.07 -0.09 0.00 -0.80 0.00 0.00 34.13 31.18 3df2 s GLU 31 CO 0.00 -0.10 2.20 1.63 -1.33 0.00 0.00 175.26 177.66 3df2 n LYS 32 N 4.34 1.41 -2.52 -4.83 5.02 -1.14 -4.58 118.16 115.86 3df2 n LYS 32 Ca -0.19 0.38 -0.37 0.00 -2.02 0.00 0.00 58.31 56.12 3df2 n LYS 32 Cb 0.51 -2.75 -0.04 0.00 -0.02 0.00 0.00 35.03 32.73 3df2 n LYS 32 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 3df2 s LEU 33 N 7.66 4.15 -0.02 -0.35 2.96 0.69 -4.71 118.68 129.06 3df2 s LEU 33 Ca 1.06 2.07 -0.12 0.00 -0.22 0.00 0.00 54.13 56.92 3df2 s LEU 33 Cb -0.66 -4.16 0.02 0.00 0.50 0.00 0.00 46.19 41.89 3df2 s LEU 33 CO 0.44 -0.50 0.26 -1.83 -1.32 0.00 0.00 176.35 173.39 3df2 s GLU 34 N -2.45 0.56 0.00 1.98 -1.05 -1.26 -2.74 118.70 113.74 3df2 s GLU 34 Ca 0.57 -0.16 0.00 0.00 -0.15 0.00 0.00 54.97 55.24 3df2 s GLU 34 Cb -0.23 0.25 0.00 0.00 -0.44 0.00 0.00 34.13 33.71 3df2 s GLU 34 CO 0.29 -0.14 0.00 1.47 0.95 0.00 0.00 175.26 177.83 3df2 n LEU 35 N 1.59 0.00 -0.92 1.83 -0.00 -0.87 -5.00 117.00 113.63 3df2 n LEU 35 Ca -0.21 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.80 3df2 n LEU 35 Cb 0.56 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.98 3df2 n LEU 35 CO 0.21 0.02 -0.21 0.29 -0.00 0.00 0.00 177.39 177.70 3df2 n LYS 36 N 0.00 -2.29 -4.05 1.47 5.02 -1.26 -4.88 118.16 112.16 3df2 n LYS 36 Ca 0.00 1.73 -0.11 0.00 -2.02 0.00 0.00 58.31 57.92 3df2 n LYS 36 Cb 0.02 -1.80 -0.06 0.00 -0.02 0.00 0.00 35.03 33.17 3df2 n LYS 36 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 3df2 s LYS 37 N -2.83 1.60 0.20 1.97 1.02 -0.84 -4.85 119.74 116.02 3df2 s LYS 37 Ca 0.00 -1.44 -0.30 0.00 0.02 0.00 0.00 55.97 54.25 3df2 s LYS 37 Cb 0.00 0.44 -0.08 0.00 -0.52 0.00 0.00 37.83 37.66 3df2 s LYS 37 CO 0.00 -0.65 1.20 0.12 -0.92 0.00 0.00 175.35 175.10 3df2 s PHE 38 N -3.77 3.42 -0.63 3.18 5.36 -1.26 -2.29 117.98 121.99 3df2 s PHE 38 Ca 0.27 1.44 -0.05 0.00 -0.96 0.00 0.00 56.93 57.63 3df2 s PHE 38 Cb 0.01 -3.43 0.16 0.00 -0.34 0.00 0.00 43.02 39.42 3df2 s PHE 38 CO 0.12 -1.19 0.47 0.34 -1.46 0.00 0.00 175.22 173.50 3df2 s ASP 39 N 0.02 5.54 0.55 6.13 -1.08 -1.19 -4.94 116.67 121.71 3df2 s ASP 39 Ca 0.52 -2.66 0.38 0.00 -0.52 0.00 0.00 52.55 50.26 3df2 s ASP 39 Cb -0.33 -1.93 1.54 0.00 -1.46 0.00 0.00 42.92 40.75 3df2 s ASP 39 CO 0.38 -0.45 1.76 -0.65 0.52 0.00 0.00 175.17 176.72 3df2 h PRO 40 N 7.39 0.00 -0.10 4.34 0.11 -1.94 1.21 132.00 143.00 3df2 h PRO 40 Ca -0.03 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.07 3df2 h PRO 40 Cb 0.99 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.09 3df2 h PRO 40 CO 0.73 0.00 0.02 0.28 -0.21 0.00 0.00 178.00 178.82 3df2 h VAL 41 N 0.00 1.21 -0.02 3.15 2.07 -1.96 -3.17 116.25 117.52 3df2 h VAL 41 Ca 0.58 -0.65 0.00 0.00 0.82 0.00 0.00 66.70 67.45 3df2 h VAL 41 Cb 2.42 1.45 0.00 0.00 -1.52 0.00 0.00 31.29 33.64 3df2 h VAL 41 CO -0.01 0.19 -0.18 0.52 0.02 0.00 0.00 177.57 178.11 3df2 n VAL 42 N -4.86 0.00 -3.95 2.57 0.31 -0.37 -4.98 118.33 107.06 3df2 n VAL 42 Ca -0.06 -0.41 -0.28 0.00 -0.01 0.00 0.00 64.34 63.58 3df2 n VAL 42 Cb 0.16 1.37 -0.00 0.00 -0.91 0.00 0.00 33.84 34.46 3df2 n VAL 42 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 3df2 n ARG 43 N 0.70 -4.14 -3.68 5.55 1.74 0.40 -4.96 116.66 112.27 3df2 n ARG 43 Ca 0.11 0.49 -0.10 0.00 -0.77 0.00 0.00 57.85 57.58 3df2 n ARG 43 Cb 0.50 -5.01 -0.10 0.00 -1.02 0.00 0.00 32.46 26.84 3df2 n ARG 43 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 3df2 s GLN 44 N -6.53 0.49 0.02 5.56 -1.52 -1.18 -4.95 119.66 111.56 3df2 s GLN 44 Ca 0.31 0.89 -0.30 0.00 -1.95 0.00 0.00 55.36 54.31 3df2 s GLN 44 Cb -0.16 0.05 -0.09 0.00 -0.22 0.00 0.00 33.01 32.59 3df2 s GLN 44 CO 0.87 -0.15 1.99 0.72 -0.25 0.00 0.00 175.29 178.47 3df2 n HIS 45 N 4.11 2.49 -3.90 0.91 8.25 -1.26 -3.17 115.22 122.64 3df2 n HIS 45 Ca -0.21 -0.37 0.00 0.00 -0.26 0.00 0.00 57.72 56.87 3df2 n HIS 45 Cb 0.56 -2.80 0.00 0.00 1.12 0.00 0.00 29.99 28.87 3df2 n HIS 45 CO 0.00 0.00 0.00 1.55 0.64 0.00 0.00 176.34 178.53 3df2 n VAL 46 N 5.67 0.00 -3.49 1.59 3.14 -0.97 -4.96 118.33 119.32 3df2 n VAL 46 Ca 0.21 0.00 -0.37 0.00 -2.96 0.00 0.00 64.34 61.21 3df2 n VAL 46 Cb 0.41 0.00 -0.06 0.00 -1.06 0.00 0.00 33.84 33.13 3df2 n VAL 46 CO 0.00 0.00 0.00 -0.63 -6.46 0.00 0.00 176.83 169.74 3df2 s ILE 47 N -1.31 5.20 -0.19 1.55 1.09 -1.26 -1.98 121.20 124.31 3df2 s ILE 47 Ca 0.00 0.73 -0.00 0.00 -1.10 0.00 0.00 60.65 60.27 3df2 s ILE 47 Cb 0.00 -3.69 0.01 0.00 -1.06 0.00 0.00 42.46 37.72 3df2 s ILE 47 CO 0.00 0.45 -0.16 -0.31 -0.10 0.00 0.00 174.94 174.82 3df2 s TYR 48 N -0.06 2.82 0.00 3.97 2.02 -1.26 -0.18 117.35 124.66 3df2 s TYR 48 Ca 0.21 -1.43 0.00 0.00 -0.37 0.00 0.00 57.07 55.48 3df2 s TYR 48 Cb -0.15 -1.97 0.00 0.00 -0.40 0.00 0.00 41.96 39.45 3df2 s TYR 48 CO 0.08 -0.72 0.00 1.17 -1.57 0.00 0.00 175.55 174.51 3df2 n LYS 49 N 4.63 3.79 -2.15 -0.62 4.81 -0.90 -2.06 118.16 125.66 3df2 n LYS 49 Ca -0.20 0.00 -0.01 0.00 -0.87 0.00 0.00 58.31 57.23 3df2 n LYS 49 Cb 0.50 0.00 -0.01 0.00 0.02 0.00 0.00 35.03 35.55 3df2 n LYS 49 CO 0.00 0.00 0.00 -1.91 1.17 0.00 0.00 177.40 176.66 3df2 n GLU 50 N 0.00 -2.08 -3.24 1.64 4.07 -1.11 -1.89 120.64 118.04 3df2 n GLU 50 Ca 0.00 1.85 0.04 0.00 -0.06 0.00 0.00 57.16 58.99 3df2 n GLU 50 Cb 0.00 -3.39 -0.02 0.00 -0.06 0.00 0.00 31.44 27.97 3df2 n GLU 50 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 3df2 s ALA 51 N -0.78 -2.82 -0.44 4.31 0.00 -1.25 -4.10 121.76 116.68 3df2 s ALA 51 Ca -0.04 1.77 0.00 0.00 0.00 0.00 0.00 51.96 53.69 3df2 s ALA 51 Cb 0.00 -2.25 0.00 0.00 0.00 0.00 0.00 23.12 20.88 3df2 s ALA 51 CO 0.44 -1.27 0.11 1.63 0.00 0.00 0.00 175.76 176.67