#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fik n ILE 4 N 0.00 -1.84 -3.49 -0.61 5.41 -1.26 -5.02 119.36 112.55 3fik n ILE 4 Ca 0.00 0.00 -0.12 0.00 1.00 0.00 0.00 62.75 63.63 3fik n ILE 4 Cb 0.00 -3.04 -0.03 0.00 -0.71 0.00 0.00 39.64 35.86 3fik n ILE 4 CO 0.00 0.00 0.00 -0.60 0.00 0.00 0.00 176.55 175.95 3fik s ARG 5 N -5.75 1.21 -0.03 0.38 3.52 -1.26 -4.99 118.95 112.02 3fik s ARG 5 Ca 0.35 -0.53 0.04 0.00 -0.13 0.00 0.00 55.73 55.46 3fik s ARG 5 Cb -0.15 0.55 -0.03 0.00 -1.56 0.00 0.00 34.95 33.76 3fik s ARG 5 CO 0.43 -0.51 -0.14 -1.21 -0.81 0.00 0.00 175.30 173.06 3fik s GLU 6 N -3.70 2.46 0.67 5.12 8.01 -1.25 -5.01 118.70 125.00 3fik s GLU 6 Ca 0.01 -0.73 -0.11 0.00 0.01 0.00 0.00 54.97 54.15 3fik s GLU 6 Cb -0.00 -2.37 -0.01 0.00 -4.31 0.00 0.00 34.13 27.44 3fik s GLU 6 CO -0.12 0.61 1.06 0.15 0.01 0.00 0.00 175.26 176.98 3fik s LYS 7 N -0.87 3.18 -0.06 1.61 1.02 -1.26 -2.16 119.74 121.20 3fik s LYS 7 Ca 0.12 0.63 -0.12 0.00 0.02 0.00 0.00 55.97 56.63 3fik s LYS 7 Cb -0.11 -2.04 0.02 0.00 -0.52 0.00 0.00 37.83 35.18 3fik s LYS 7 CO 0.02 -0.84 0.28 0.42 -0.92 0.00 0.00 175.35 174.30 3fik s ILE 8 N -3.25 0.03 0.04 2.17 -1.09 -0.32 -4.42 121.20 114.36 3fik s ILE 8 Ca 0.57 -0.28 0.01 0.00 -2.23 0.00 0.00 60.65 58.72 3fik s ILE 8 Cb -0.11 -0.49 -0.02 0.00 -1.58 0.00 0.00 42.46 40.25 3fik s ILE 8 CO 0.53 -0.16 -0.06 -0.54 -1.23 0.00 0.00 174.94 173.48 3fik s LYS 9 N -0.64 0.46 -0.14 2.79 1.02 -1.26 -2.72 119.74 119.25 3fik s LYS 9 Ca -0.07 -0.72 0.00 0.00 0.02 0.00 0.00 55.97 55.20 3fik s LYS 9 Cb -0.04 -0.14 0.02 0.00 -0.52 0.00 0.00 37.83 37.15 3fik s LYS 9 CO 0.02 0.01 -0.13 -0.51 -0.92 0.00 0.00 175.35 173.82 3fik s LEU 10 N -1.58 1.62 0.23 3.17 1.02 -1.18 -2.47 118.68 119.49 3fik s LEU 10 Ca -0.12 -0.46 -0.19 0.00 0.02 0.00 0.00 54.13 53.39 3fik s LEU 10 Cb -0.09 -1.12 -0.08 0.00 0.02 0.00 0.00 46.19 44.91 3fik s LEU 10 CO -0.00 -0.05 0.72 0.68 0.02 0.00 0.00 176.35 177.71 3fik s VAL 11 N 1.45 4.59 0.28 -1.59 -7.23 -1.25 -3.24 120.40 113.41 3fik s VAL 11 Ca 0.03 1.24 -0.29 0.00 -1.81 0.00 0.00 61.98 61.15 3fik s VAL 11 Cb -0.13 -3.83 -0.10 0.00 0.56 0.00 0.00 36.38 32.88 3fik s VAL 11 CO -0.09 0.17 1.09 -0.44 -0.31 0.00 0.00 175.10 175.52 3fik s SER 12 N -1.72 7.27 0.13 4.85 0.01 -1.26 -3.02 113.70 119.96 3fik s SER 12 Ca 0.44 2.24 -0.14 0.00 1.31 0.00 0.00 55.95 59.80 3fik s SER 12 Cb -0.16 -2.62 -0.01 0.00 0.21 0.00 0.00 66.02 63.43 3fik s SER 12 CO 0.21 -0.14 1.57 0.77 0.41 0.00 0.00 173.24 176.06 3fik h SER 13 N 3.77 0.73 0.53 2.44 4.64 -1.95 -2.85 113.55 120.87 3fik h SER 13 Ca -0.47 -0.31 -0.13 0.00 -0.47 0.00 0.00 61.79 60.41 3fik h SER 13 Cb 1.21 -0.20 -0.02 0.00 -0.31 0.00 0.00 62.40 63.09 3fik h SER 13 CO 0.67 0.87 -0.61 0.00 -0.87 0.00 0.00 176.83 176.89 3fik h ALA 14 N 0.89 0.95 -0.06 5.18 0.00 -1.92 -3.47 119.26 120.84 3fik h ALA 14 Ca 0.12 -0.55 0.00 0.00 0.00 0.00 0.00 54.91 54.48 3fik h ALA 14 Cb 0.49 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.19 3fik h ALA 14 CO 0.02 0.75 0.00 0.41 0.00 0.00 0.00 179.25 180.43 3fik n GLY 15 N 0.23 1.14 3.97 0.00 0.00 -1.08 -5.08 105.19 104.37 3fik n GLY 15 Ca -0.02 -0.45 -0.22 0.00 0.00 0.00 0.00 46.02 45.34 3fik n GLY 15 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3fik s THR 16 N -2.06 2.08 -2.00 2.61 -1.32 -1.26 -5.01 115.64 108.68 3fik s THR 16 Ca 0.00 -1.20 0.27 0.00 -1.21 0.00 0.00 61.69 59.55 3fik s THR 16 Cb 0.00 -2.28 0.77 0.00 -1.51 0.00 0.00 72.50 69.48 3fik s THR 16 CO 0.00 0.00 2.02 0.61 -2.21 0.00 0.00 174.62 175.04 3fik n GLY 17 N -1.98 -0.96 3.71 6.08 0.00 -1.26 -4.59 105.19 106.19 3fik n GLY 17 Ca 0.08 -0.17 -0.42 0.00 0.00 0.00 0.00 46.02 45.51 3fik n GLY 17 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3fik s HIS 18 N -2.00 3.12 0.01 1.61 5.65 -1.26 -5.02 115.29 117.40 3fik s HIS 18 Ca 0.41 0.78 0.03 0.00 0.25 0.00 0.00 55.06 56.53 3fik s HIS 18 Cb 0.19 -3.80 -0.01 0.00 -1.18 0.00 0.00 32.58 27.78 3fik s HIS 18 CO 0.32 -2.89 -0.09 -0.06 -0.65 0.00 0.00 174.74 171.36 3fik s PHE 19 N 1.21 0.76 -0.56 3.88 0.08 -1.26 -4.19 117.98 117.90 3fik s PHE 19 Ca 0.67 -0.24 -0.22 0.00 0.12 0.00 0.00 56.93 57.26 3fik s PHE 19 Cb -0.40 -0.47 0.06 0.00 -0.57 0.00 0.00 43.02 41.64 3fik s PHE 19 CO 0.31 -0.02 0.81 0.71 -0.10 0.00 0.00 175.22 176.93 3fik s TYR 20 N -0.55 2.88 -0.13 0.36 2.02 -1.20 -4.91 117.35 115.82 3fik s TYR 20 Ca -0.00 -0.38 -0.16 0.00 -0.37 0.00 0.00 57.07 56.16 3fik s TYR 20 Cb -0.05 -3.91 -0.04 0.00 -0.40 0.00 0.00 41.96 37.55 3fik s TYR 20 CO 0.00 -1.28 0.40 0.99 -1.57 0.00 0.00 175.55 174.09 3fik s THR 21 N 3.38 5.23 0.35 -0.71 2.01 -1.26 -3.08 115.64 121.56 3fik s THR 21 Ca 0.22 0.78 -0.17 0.00 0.31 0.00 0.00 61.69 62.83 3fik s THR 21 Cb -0.17 -3.73 0.06 0.00 0.01 0.00 0.00 72.50 68.67 3fik s THR 21 CO 0.14 0.37 0.85 0.28 -0.69 0.00 0.00 174.62 175.57 3fik s THR 22 N 0.47 0.00 0.51 -0.82 -1.32 -1.10 -5.05 115.64 108.33 3fik s THR 22 Ca 0.22 -0.91 0.01 0.00 -1.21 0.00 0.00 61.69 59.80 3fik s THR 22 Cb -0.14 -2.99 -0.00 0.00 -1.51 0.00 0.00 72.50 67.86 3fik s THR 22 CO 0.08 0.00 0.02 0.42 -2.21 0.00 0.00 174.62 172.93 3fik s THR 23 N -2.10 0.92 0.00 5.08 -4.23 -1.26 -1.17 115.64 112.87 3fik s THR 23 Ca 0.18 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.69 3fik s THR 23 Cb -0.05 -2.05 0.00 0.00 1.34 0.00 0.00 72.50 71.74 3fik s THR 23 CO 0.11 0.00 0.00 1.17 -0.54 0.00 0.00 174.62 175.36 3fik n LYS 24 N -1.26 0.00 -2.16 3.99 4.81 -0.92 -4.88 118.16 117.75 3fik n LYS 24 Ca -0.19 0.00 -0.36 0.00 -0.87 0.00 0.00 58.31 56.88 3fik n LYS 24 Cb 0.67 0.00 0.01 0.00 0.02 0.00 0.00 35.03 35.72 3fik n LYS 24 CO 0.00 0.00 0.00 1.21 1.17 0.00 0.00 177.40 179.78 3fik s ASN 25 N 0.00 5.77 -0.03 3.14 3.84 -1.26 -3.82 114.94 122.58 3fik s ASN 25 Ca 0.00 2.34 0.10 0.00 0.21 0.00 0.00 52.86 55.51 3fik s ASN 25 Cb 0.00 -2.60 -0.15 0.00 -0.55 0.00 0.00 41.25 37.95 3fik s ASN 25 CO 0.00 -1.19 0.18 1.17 -2.79 0.00 0.00 177.10 174.46 3fik n LYS 26 N -0.96 0.83 0.02 0.43 0.00 -1.26 -2.81 118.16 114.39 3fik n LYS 26 Ca 0.10 -0.07 -0.07 0.00 0.00 0.00 0.00 58.31 58.27 3fik n LYS 26 Cb 0.49 -1.24 -0.12 0.00 0.00 0.00 0.00 35.03 34.15 3fik n LYS 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3fik h ARG 27 N 0.00 0.00 0.47 1.64 3.08 -1.99 -2.27 114.38 115.31 3fik h ARG 27 Ca -0.06 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 59.96 3fik h ARG 27 Cb 0.74 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.79 3fik h ARG 27 CO 0.00 0.64 -0.23 1.79 -1.07 0.00 0.00 179.97 181.10 3fik h THR 28 N 0.00 0.14 -3.21 2.04 1.35 -2.00 -3.44 112.91 107.80 3fik h THR 28 Ca -0.17 -0.55 -0.60 0.00 -0.55 0.00 0.00 66.41 64.53 3fik h THR 28 Cb 1.87 0.22 -0.40 0.00 -1.73 0.00 0.00 68.15 68.11 3fik h THR 28 CO 0.09 0.03 -0.75 -0.54 -0.25 0.00 0.00 175.52 174.11 3fik s LYS 29 N -3.88 0.95 0.11 4.72 1.02 -1.13 -4.96 119.74 116.57 3fik s LYS 29 Ca -0.11 -1.38 0.17 0.00 0.02 0.00 0.00 55.97 54.67 3fik s LYS 29 Cb 0.01 -2.26 0.74 0.00 -0.52 0.00 0.00 37.83 35.81 3fik s LYS 29 CO 0.35 -1.01 1.54 -0.35 -0.92 0.00 0.00 175.35 174.95 3fik n PRO 30 N 4.51 0.08 -2.06 -1.68 -0.04 -0.85 -4.23 135.00 130.72 3fik n PRO 30 Ca 0.01 0.35 -0.38 0.00 -0.04 0.00 0.00 63.50 63.44 3fik n PRO 30 Cb 0.41 -1.67 0.01 0.00 -0.04 0.00 0.00 33.50 32.21 3fik n PRO 30 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 3fik s GLU 31 N -3.15 3.51 0.71 0.54 0.41 -1.26 -5.06 118.70 114.40 3fik s GLU 31 Ca 0.05 1.97 -0.11 0.00 -0.41 0.00 0.00 54.97 56.46 3fik s GLU 31 Cb 0.09 -2.35 0.01 0.00 -1.78 0.00 0.00 34.13 30.10 3fik s GLU 31 CO 0.29 -0.81 1.08 0.15 -0.49 0.00 0.00 175.26 175.48 3fik s LYS 32 N -2.78 2.86 -0.13 1.61 -0.14 -1.26 -4.91 119.74 114.99 3fik s LYS 32 Ca 0.67 0.60 -0.13 0.00 -1.36 0.00 0.00 55.97 55.74 3fik s LYS 32 Cb -0.34 -2.01 0.04 0.00 -1.68 0.00 0.00 37.83 33.84 3fik s LYS 32 CO 0.40 -1.06 0.38 -1.17 -0.76 0.00 0.00 175.35 173.13 3fik s LEU 33 N -5.42 0.57 -0.25 3.17 2.96 -1.25 -5.00 118.68 113.46 3fik s LEU 33 Ca 0.58 0.71 0.02 0.00 -0.22 0.00 0.00 54.13 55.22 3fik s LEU 33 Cb -0.12 1.30 0.06 0.00 0.50 0.00 0.00 46.19 47.93 3fik s LEU 33 CO 0.53 -0.16 -0.09 -0.70 -1.32 0.00 0.00 176.35 174.61 3fik s GLU 34 N 0.08 2.04 0.12 1.98 2.56 -1.26 -2.44 118.70 121.78 3fik s GLU 34 Ca -0.01 -1.19 0.04 0.00 0.00 0.00 0.00 54.97 53.81 3fik s GLU 34 Cb -0.03 -2.76 -0.04 0.00 2.00 0.00 0.00 34.13 33.30 3fik s GLU 34 CO 0.01 -0.56 -0.10 -0.51 -0.56 0.00 0.00 175.26 173.53 3fik s LEU 35 N 1.22 2.48 -0.15 2.70 1.43 -0.35 -5.00 118.68 121.01 3fik s LEU 35 Ca -0.07 -0.93 -0.02 0.00 -1.03 0.00 0.00 54.13 52.07 3fik s LEU 35 Cb -0.19 -0.32 -0.02 0.00 0.03 0.00 0.00 46.19 45.69 3fik s LEU 35 CO -0.06 -0.31 -0.07 -1.59 0.23 0.00 0.00 176.35 174.55 3fik s LYS 36 N -3.36 3.53 -0.05 1.70 0.00 -1.26 -0.89 119.74 119.41 3fik s LYS 36 Ca 0.12 -0.60 -0.12 0.00 0.00 0.00 0.00 55.97 55.37 3fik s LYS 36 Cb 0.00 -2.81 0.02 0.00 0.00 0.00 0.00 37.83 35.04 3fik s LYS 36 CO -0.00 0.18 0.29 0.15 0.00 0.00 0.00 175.35 175.97 3fik s LYS 37 N 0.48 0.53 0.06 1.78 -0.14 -0.89 -4.95 119.74 116.60 3fik s LYS 37 Ca -0.06 0.02 -0.33 0.00 -1.36 0.00 0.00 55.97 54.24 3fik s LYS 37 Cb -0.15 0.24 -0.12 0.00 -1.68 0.00 0.00 37.83 36.12 3fik s LYS 37 CO 0.03 -0.12 1.76 0.34 -0.76 0.00 0.00 175.35 176.61 3fik n PHE 38 N 1.92 2.39 -3.32 3.18 7.35 -1.26 -1.92 117.46 125.79 3fik n PHE 38 Ca -0.18 0.04 -0.40 0.00 -0.76 0.00 0.00 57.45 56.15 3fik n PHE 38 Cb 0.57 -2.64 -0.08 0.00 0.35 0.00 0.00 39.48 37.67 3fik n PHE 38 CO 0.00 0.00 0.00 0.34 -0.76 0.00 0.00 176.76 176.34 3fik s ASP 39 N 2.61 6.29 0.00 -2.13 2.15 -0.19 -4.92 116.67 120.48 3fik s ASP 39 Ca 0.85 0.19 0.19 0.00 0.43 0.00 0.00 52.55 54.21 3fik s ASP 39 Cb -0.63 -2.24 0.94 0.00 -0.30 0.00 0.00 42.92 40.70 3fik s ASP 39 CO 0.43 -0.30 1.60 -0.81 -0.17 0.00 0.00 175.17 175.92 3fik n PRO 40 N 5.48 0.22 0.03 4.34 -0.04 -1.26 -0.76 135.00 143.01 3fik n PRO 40 Ca -0.07 0.12 -0.16 0.00 -0.04 0.00 0.00 63.50 63.35 3fik n PRO 40 Cb 0.50 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.32 3fik n PRO 40 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 3fik h VAL 41 N 0.00 0.97 0.00 0.52 2.07 -1.94 -3.33 116.25 114.54 3fik h VAL 41 Ca 0.00 -2.68 0.00 0.00 0.82 0.00 0.00 66.70 64.84 3fik h VAL 41 Cb 0.21 2.63 0.00 0.00 -1.52 0.00 0.00 31.29 32.61 3fik h VAL 41 CO 0.00 0.77 -1.08 1.33 0.02 0.00 0.00 177.57 178.61 3fik n VAL 42 N -3.37 0.02 -2.23 2.57 0.24 -1.06 -4.97 118.33 109.53 3fik n VAL 42 Ca -0.20 -0.10 -0.10 0.00 -2.04 0.00 0.00 64.34 61.90 3fik n VAL 42 Cb 1.04 0.68 -0.00 0.00 -1.47 0.00 0.00 33.84 34.09 3fik n VAL 42 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 3fik n ARG 43 N -1.66 -0.92 -3.97 7.34 1.74 0.06 -4.99 116.66 114.25 3fik n ARG 43 Ca 0.03 0.47 -0.09 0.00 -0.77 0.00 0.00 57.85 57.49 3fik n ARG 43 Cb 0.38 -4.51 -0.11 0.00 -1.02 0.00 0.00 32.46 27.21 3fik n ARG 43 CO 0.00 0.00 0.00 -1.14 -1.52 0.00 0.00 177.63 174.97 3fik s GLN 44 N -4.54 0.40 0.08 5.56 2.00 -1.13 -4.96 119.66 117.06 3fik s GLN 44 Ca 0.01 -0.66 -0.31 0.00 -2.00 0.00 0.00 55.36 52.41 3fik s GLN 44 Cb -0.01 0.15 -0.08 0.00 0.80 0.00 0.00 33.01 33.87 3fik s GLN 44 CO 0.02 -0.08 1.61 -1.01 -0.50 0.00 0.00 175.29 175.33 3fik s HIS 45 N -1.84 2.59 0.33 1.67 3.76 -1.26 -1.02 115.29 119.52 3fik s HIS 45 Ca -0.12 0.43 0.01 0.00 -0.15 0.00 0.00 55.06 55.23 3fik s HIS 45 Cb -0.07 -3.93 -0.00 0.00 1.11 0.00 0.00 32.58 29.69 3fik s HIS 45 CO -0.02 -3.65 0.41 1.55 -0.85 0.00 0.00 174.74 172.18 3fik n VAL 46 N 4.56 0.00 -3.49 -0.90 3.14 -0.81 -4.90 118.33 115.94 3fik n VAL 46 Ca 0.15 -1.93 -0.37 0.00 -2.96 0.00 0.00 64.34 59.23 3fik n VAL 46 Cb 0.40 1.10 -0.06 0.00 -1.06 0.00 0.00 33.84 34.22 3fik n VAL 46 CO 0.00 0.00 0.00 0.27 -6.46 0.00 0.00 176.83 170.64 3fik s ILE 47 N -2.97 5.01 -0.09 1.55 -4.36 -1.26 -2.10 121.20 116.98 3fik s ILE 47 Ca 0.32 0.79 -0.00 0.00 -0.26 0.00 0.00 60.65 61.49 3fik s ILE 47 Cb -0.00 -3.71 0.02 0.00 1.25 0.00 0.00 42.46 40.02 3fik s ILE 47 CO 0.22 0.49 -0.05 -0.31 0.24 0.00 0.00 174.94 175.54 3fik s TYR 48 N -1.18 1.10 0.40 1.37 2.02 -0.06 -3.78 117.35 117.21 3fik s TYR 48 Ca 0.27 -0.46 0.05 0.00 -0.37 0.00 0.00 57.07 56.57 3fik s TYR 48 Cb -0.16 -1.00 0.05 0.00 -0.40 0.00 0.00 41.96 40.45 3fik s TYR 48 CO 0.15 -0.39 0.45 0.36 -1.57 0.00 0.00 175.55 174.55 3fik n LYS 49 N 4.85 0.80 0.00 -0.62 2.85 -1.17 -1.21 118.16 123.66 3fik n LYS 49 Ca -0.12 -2.27 0.00 0.00 -1.05 0.00 0.00 58.31 54.87 3fik n LYS 49 Cb 0.50 -0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.88 3fik n LYS 49 CO 0.00 0.00 0.00 -0.85 -0.05 0.00 0.00 177.40 176.50 3fik n GLU 50 N -1.69 0.00 -4.00 -1.58 0.28 -1.02 -3.76 120.64 108.86 3fik n GLU 50 Ca 0.06 0.00 -0.09 0.00 -0.16 0.00 0.00 57.16 56.98 3fik n GLU 50 Cb 0.43 0.00 -0.08 0.00 1.43 0.00 0.00 31.44 33.21 3fik n GLU 50 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 3fik s ALA 51 N -1.27 0.24 0.00 -1.84 0.00 -1.26 -3.74 121.76 113.89 3fik s ALA 51 Ca 0.00 -1.01 0.00 0.00 0.00 0.00 0.00 51.96 50.95 3fik s ALA 51 Cb 0.00 0.63 0.00 0.00 0.00 0.00 0.00 23.12 23.75 3fik s ALA 51 CO 0.00 -0.51 0.00 1.17 0.00 0.00 0.00 175.76 176.42