#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fki n ALA 25 N 0.00 0.00 -1.33 1.79 0.00 -1.26 -5.19 120.51 114.52 3fki n ALA 25 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3fki n ALA 25 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3fki n ALA 25 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 3fki n THR 26 N 0.00 -5.50 -3.76 0.00 -1.04 -1.26 -5.11 114.28 97.62 3fki n THR 26 Ca 0.00 1.92 -0.11 0.00 -2.04 0.00 0.00 64.05 63.82 3fki n THR 26 Cb 0.00 -3.06 -0.07 0.00 -1.82 0.00 0.00 70.33 65.38 3fki n THR 26 CO 0.00 0.00 0.00 -1.48 -0.64 0.00 0.00 175.07 172.95 3fki s LEU 27 N -1.39 0.92 0.00 -4.42 2.34 -1.26 -5.06 118.68 109.81 3fki s LEU 27 Ca 0.00 -0.26 0.00 0.00 0.06 0.00 0.00 54.13 53.93 3fki s LEU 27 Cb 0.00 1.34 0.00 0.00 -0.56 0.00 0.00 46.19 46.97 3fki s LEU 27 CO 0.00 -0.65 0.00 0.29 -1.06 0.00 0.00 176.35 174.93 3fki n LYS 28 N 0.44 0.00 -4.79 1.48 4.76 -1.26 -5.00 118.16 113.80 3fki n LYS 28 Ca -0.18 0.00 -0.25 0.00 -2.87 0.00 0.00 58.31 55.01 3fki n LYS 28 Cb 0.60 0.00 -0.16 0.00 -1.84 0.00 0.00 35.03 33.64 3fki n LYS 28 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 3fki s TYR 29 N -0.23 1.54 -0.08 2.13 1.51 -1.26 -4.27 117.35 116.70 3fki s TYR 29 Ca 0.00 -0.36 0.00 0.00 -1.01 0.00 0.00 57.07 55.71 3fki s TYR 29 Cb 0.00 -1.02 0.02 0.00 -0.11 0.00 0.00 41.96 40.85 3fki s TYR 29 CO 0.00 -0.08 -0.07 0.42 -1.11 0.00 0.00 175.55 174.71 3fki s ILE 30 N -0.20 0.84 0.73 2.71 1.01 0.15 -1.26 121.20 125.20 3fki s ILE 30 Ca 0.02 -0.23 -0.11 0.00 0.00 0.00 0.00 60.65 60.33 3fki s ILE 30 Cb -0.08 -0.86 0.03 0.00 0.01 0.00 0.00 42.46 41.56 3fki s ILE 30 CO 0.00 0.32 1.07 0.00 0.00 0.00 0.00 174.94 176.33 3fki s ALA 32 N -3.06 2.61 0.00 0.00 0.00 -1.26 -3.91 121.76 116.14 3fki s ALA 32 Ca 0.59 -1.14 0.00 0.00 0.00 0.00 0.00 51.96 51.41 3fki s ALA 32 Cb -0.14 -2.69 0.00 0.00 0.00 0.00 0.00 23.12 20.29 3fki s ALA 32 CO 0.55 -2.04 0.00 0.39 0.00 0.00 0.00 175.76 174.66 3fki n GLU 33 N -3.46 0.00 -2.18 0.00 1.02 -1.26 -4.23 120.64 110.52 3fki n GLU 33 Ca 0.13 0.00 -0.42 0.00 -0.02 0.00 0.00 57.16 56.85 3fki n GLU 33 Cb 0.60 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 32.02 3fki n GLU 33 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3fki n SER 35 N 3.37 2.61 -3.75 0.00 3.41 -1.25 -4.78 113.62 113.23 3fki n SER 35 Ca 0.48 -0.02 -0.12 0.00 -0.26 0.00 0.00 58.87 58.94 3fki n SER 35 Cb 0.33 -1.49 -0.12 0.00 -0.26 0.00 0.00 64.21 62.66 3fki n SER 35 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 3fki s SER 36 N 9.62 -0.29 0.14 4.04 1.04 -1.26 -5.03 113.70 121.95 3fki s SER 36 Ca 1.03 0.56 -0.31 0.00 0.48 0.00 0.00 55.95 57.71 3fki s SER 36 Cb -0.40 0.50 -0.09 0.00 0.10 0.00 0.00 66.02 66.14 3fki s SER 36 CO 0.35 -0.13 1.44 -0.54 0.98 0.00 0.00 173.24 175.33 3fki s LYS 37 N 0.76 4.29 -0.16 4.02 1.02 -1.26 -4.15 119.74 124.26 3fki s LYS 37 Ca -0.05 2.16 -0.08 0.00 0.02 0.00 0.00 55.97 58.02 3fki s LYS 37 Cb -0.06 -3.21 -0.07 0.00 -0.52 0.00 0.00 37.83 33.96 3fki s LYS 37 CO -0.05 -0.48 -0.21 -0.11 -0.92 0.00 0.00 175.35 173.58 3fki n LEU 38 N 3.86 1.18 -2.34 3.17 7.94 -0.39 -5.01 117.00 125.41 3fki n LEU 38 Ca 0.12 0.20 -0.01 0.00 -1.11 0.00 0.00 56.01 55.21 3fki n LEU 38 Cb 0.41 -0.49 -0.01 0.00 0.53 0.00 0.00 43.42 43.86 3fki n LEU 38 CO 0.59 0.29 -0.51 -1.54 -1.11 0.00 0.00 177.39 175.12 3fki n SER 39 N -3.76 -7.91 -4.21 1.96 3.41 -1.26 -4.95 113.62 96.90 3fki n SER 39 Ca -0.31 1.73 -0.14 0.00 -0.26 0.00 0.00 58.87 59.89 3fki n SER 39 Cb 0.70 -5.09 -0.10 0.00 -0.26 0.00 0.00 64.21 59.46 3fki n SER 39 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3fki s LEU 40 N -0.59 1.31 0.00 1.04 1.43 -1.26 -5.01 118.68 115.61 3fki s LEU 40 Ca -0.05 -1.40 0.00 0.00 -1.03 0.00 0.00 54.13 51.65 3fki s LEU 40 Cb 0.00 0.28 0.00 0.00 0.03 0.00 0.00 46.19 46.50 3fki s LEU 40 CO 0.12 -0.82 0.00 -1.54 0.23 0.00 0.00 176.35 174.35 3fki n SER 41 N -0.37 0.00 -4.75 2.29 3.41 -1.26 -5.03 113.62 107.91 3fki n SER 41 Ca 0.02 0.00 -0.40 0.00 -0.26 0.00 0.00 58.87 58.23 3fki n SER 41 Cb 0.66 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.55 3fki n SER 41 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 3fki s ARG 42 N 3.05 4.79 -1.47 4.33 0.52 -1.26 -4.01 118.95 124.91 3fki s ARG 42 Ca 0.00 1.57 -0.09 0.00 -0.52 0.00 0.00 55.73 56.68 3fki s ARG 42 Cb 0.00 -3.24 0.06 0.00 0.52 0.00 0.00 34.95 32.29 3fki s ARG 42 CO 0.00 0.43 0.86 2.41 0.02 0.00 0.00 175.30 179.03 3fki n THR 43 N 1.38 -2.75 -1.15 0.02 -1.04 -1.26 -4.88 114.28 104.61 3fki n THR 43 Ca -0.02 -0.18 0.04 0.00 -2.04 0.00 0.00 64.05 61.86 3fki n THR 43 Cb 0.47 -3.05 0.23 0.00 -1.82 0.00 0.00 70.33 66.16 3fki n THR 43 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 3fki n ASP 44 N -2.90 3.36 -0.98 8.00 8.00 -1.26 -5.09 116.55 125.68 3fki n ASP 44 Ca -0.08 -3.28 0.07 0.00 0.71 0.00 0.00 54.79 52.21 3fki n ASP 44 Cb 0.58 -0.58 -0.02 0.00 -0.02 0.00 0.00 41.12 41.08 3fki n ASP 44 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3fki n ALA 45 N -0.77 -1.33 -0.21 2.24 0.00 -1.26 -4.75 120.51 114.43 3fki n ALA 45 Ca 0.26 0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.86 3fki n ALA 45 Cb 0.95 -0.46 0.00 0.00 0.00 0.00 0.00 19.45 19.94 3fki n ALA 45 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3fki n VAL 46 N -2.51 0.00 -1.51 0.00 0.31 -1.26 -4.99 118.33 108.37 3fki n VAL 46 Ca 0.00 -0.36 -0.32 0.00 -0.01 0.00 0.00 64.34 63.65 3fki n VAL 46 Cb 0.23 1.21 0.07 0.00 -0.91 0.00 0.00 33.84 34.45 3fki n VAL 46 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 3fki s ARG 47 N -0.19 2.47 0.57 5.55 0.52 -1.26 -4.66 118.95 121.95 3fki s ARG 47 Ca 0.00 1.35 0.09 0.00 -0.52 0.00 0.00 55.73 56.65 3fki s ARG 47 Cb 0.00 -1.91 0.08 0.00 0.52 0.00 0.00 34.95 33.64 3fki s ARG 47 CO 0.00 -1.50 0.74 0.00 0.02 0.00 0.00 175.30 174.56 3fki s LYS 49 N -4.61 4.15 0.00 0.00 -0.14 -1.26 -4.33 119.74 113.55 3fki s LYS 49 Ca 0.59 2.52 0.00 0.00 -1.36 0.00 0.00 55.97 57.72 3fki s LYS 49 Cb -0.05 -3.82 0.00 0.00 -1.68 0.00 0.00 37.83 32.27 3fki s LYS 49 CO 0.37 -0.86 0.00 -3.47 -0.76 0.00 0.00 175.35 170.63 3fki n ASP 50 N 6.43 0.00 -4.88 2.83 2.03 -1.26 -4.77 116.55 116.93 3fki n ASP 50 Ca 0.18 0.00 -0.30 0.00 0.52 0.00 0.00 54.79 55.19 3fki n ASP 50 Cb 0.40 0.00 -0.03 0.00 -0.72 0.00 0.00 41.12 40.77 3fki n ASP 50 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3fki n GLY 52 N -1.49 -0.59 4.04 0.00 0.00 -1.26 -3.83 105.19 102.06 3fki n GLY 52 Ca 0.03 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.59 3fki n GLY 52 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3fki n HIS 53 N 0.00 -1.44 -2.44 1.61 8.25 -1.26 -3.55 115.22 116.39 3fki n HIS 53 Ca 0.00 0.11 -0.38 0.00 -0.26 0.00 0.00 57.72 57.19 3fki n HIS 53 Cb 0.00 -2.85 -0.03 0.00 1.12 0.00 0.00 29.99 28.23 3fki n HIS 53 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 3fki s ARG 54 N -7.30 3.47 0.12 -0.41 0.52 -1.26 -4.56 118.95 109.52 3fki s ARG 54 Ca 0.48 -1.33 0.00 0.00 -0.52 0.00 0.00 55.73 54.36 3fki s ARG 54 Cb -0.26 -5.37 0.00 0.00 0.52 0.00 0.00 34.95 29.84 3fki s ARG 54 CO 0.96 -2.59 0.00 0.44 0.02 0.00 0.00 175.30 174.13 3fki n ILE 55 N 6.95 0.79 -1.79 1.52 -5.35 -1.26 -5.04 119.36 115.19 3fki n ILE 55 Ca 0.41 0.26 0.00 0.00 -0.27 0.00 0.00 62.75 63.15 3fki n ILE 55 Cb 0.48 -1.34 0.00 0.00 -1.74 0.00 0.00 39.64 37.04 3fki n ILE 55 CO 0.00 0.00 0.00 0.18 -1.76 0.00 0.00 176.55 174.97 3fki n LEU 56 N -3.39 -4.59 -4.00 7.28 4.77 -1.26 -4.99 117.00 110.81 3fki n LEU 56 Ca 0.00 3.26 -0.21 0.00 -0.03 0.00 0.00 56.01 59.02 3fki n LEU 56 Cb 0.07 -3.19 -0.16 0.00 -2.33 0.00 0.00 43.42 37.82 3fki n LEU 56 CO 0.00 -0.14 -0.44 -0.76 -1.33 0.00 0.00 177.39 174.72 3fki s LEU 57 N -2.69 1.72 0.39 2.23 1.43 0.34 -4.81 118.68 117.29 3fki s LEU 57 Ca 0.00 -0.21 0.20 0.00 -1.03 0.00 0.00 54.13 53.09 3fki s LEU 57 Cb 0.00 -0.61 0.75 0.00 0.03 0.00 0.00 46.19 46.36 3fki s LEU 57 CO 0.00 0.05 1.76 0.50 0.23 0.00 0.00 176.35 178.90 3fki h LYS 58 N 6.57 0.00 -2.92 1.70 3.64 -1.85 0.43 116.57 124.14 3fki h LYS 58 Ca -0.34 0.00 0.31 0.00 -1.27 0.00 0.00 60.65 59.36 3fki h LYS 58 Cb 1.17 0.00 -0.14 0.00 -0.41 0.00 0.00 32.23 32.86 3fki h LYS 58 CO 0.48 0.33 -0.86 0.00 -2.27 0.00 0.00 179.45 177.13 3fki n ALA 59 N -2.28 -3.24 -1.59 5.00 0.00 -1.26 -4.54 120.51 112.60 3fki n ALA 59 Ca -0.00 0.66 -0.37 0.00 0.00 0.00 0.00 53.44 53.73 3fki n ALA 59 Cb 0.48 -1.27 0.08 0.00 0.00 0.00 0.00 19.45 18.74 3fki n ALA 59 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 3fki n ARG 60 N -4.04 0.89 -1.76 0.00 0.63 -1.26 -5.01 116.66 106.10 3fki n ARG 60 Ca -0.05 0.36 -0.31 0.00 -0.92 0.00 0.00 57.85 56.94 3fki n ARG 60 Cb 0.58 -2.42 0.03 0.00 0.45 0.00 0.00 32.46 31.10 3fki n ARG 60 CO 0.00 0.00 0.00 0.99 -2.51 0.00 0.00 177.63 176.11 3fki s THR 61 N -1.55 4.26 0.30 5.15 2.01 -1.26 -4.99 115.64 119.57 3fki s THR 61 Ca 0.80 0.73 0.09 0.00 0.31 0.00 0.00 61.69 63.62 3fki s THR 61 Cb -0.37 -3.63 0.02 0.00 0.01 0.00 0.00 72.50 68.52 3fki s THR 61 CO 0.44 -0.96 1.68 0.11 -0.69 0.00 0.00 174.62 175.20 3fki h LYS 62 N -0.53 0.09 -6.85 4.92 1.57 -2.01 -3.45 116.57 110.33 3fki h LYS 62 Ca -0.44 -0.05 -0.50 0.00 -1.87 0.00 0.00 60.65 57.78 3fki h LYS 62 Cb 1.21 0.00 0.02 0.00 0.08 0.00 0.00 32.23 33.54 3fki h LYS 62 CO 0.60 0.58 0.48 -0.98 -0.57 0.00 0.00 179.45 179.56 3fki s ARG 63 N -3.91 4.50 0.59 3.15 1.70 -1.26 -5.03 118.95 118.69 3fki s ARG 63 Ca -0.03 1.78 -0.16 0.00 -0.47 0.00 0.00 55.73 56.86 3fki s ARG 63 Cb 0.13 -3.04 -0.04 0.00 -0.57 0.00 0.00 34.95 31.43 3fki s ARG 63 CO 0.76 0.09 1.05 -0.51 -1.08 0.00 0.00 175.30 175.62 3fki s LEU 64 N -1.74 3.50 -0.10 -1.89 1.43 -1.26 -5.07 118.68 113.55 3fki s LEU 64 Ca 0.48 1.80 0.00 0.00 -1.03 0.00 0.00 54.13 55.38 3fki s LEU 64 Cb -0.31 -4.53 0.02 0.00 0.03 0.00 0.00 46.19 41.40 3fki s LEU 64 CO 0.39 -1.13 -0.08 0.68 0.23 0.00 0.00 176.35 176.45 3fki s VAL 65 N -2.47 0.95 0.21 -1.59 -7.23 -1.26 -5.14 120.40 103.88 3fki s VAL 65 Ca 0.63 -0.27 -0.19 0.00 -1.81 0.00 0.00 61.98 60.34 3fki s VAL 65 Cb -0.16 -0.96 -0.08 0.00 0.56 0.00 0.00 36.38 35.74 3fki s VAL 65 CO 0.37 0.35 0.71 -1.58 -0.31 0.00 0.00 175.10 174.63 3fki s GLN 66 N 1.48 4.23 0.07 4.82 0.74 -1.26 -5.08 119.66 124.66 3fki s GLN 66 Ca 0.00 0.84 0.04 0.00 0.05 0.00 0.00 55.36 56.29 3fki s GLN 66 Cb -0.13 -2.89 -0.03 0.00 1.10 0.00 0.00 33.01 31.06 3fki s GLN 66 CO -0.05 0.41 -0.12 -0.06 -0.55 0.00 0.00 175.29 174.91 3fki s PHE 67 N -1.51 1.07 -0.20 1.67 0.40 -1.26 -5.12 117.98 113.03 3fki s PHE 67 Ca 0.42 -0.50 -0.29 0.00 -0.60 0.00 0.00 56.93 55.96 3fki s PHE 67 Cb -0.17 -0.60 -0.00 0.00 0.51 0.00 0.00 43.02 42.76 3fki s PHE 67 CO 0.21 0.02 1.15 -1.83 0.70 0.00 0.00 175.22 175.47 3fki s GLU 68 N -1.87 4.23 0.07 0.44 -1.05 -1.26 -4.91 118.70 114.35 3fki s GLU 68 Ca -0.03 1.49 0.24 0.00 -0.15 0.00 0.00 54.97 56.52 3fki s GLU 68 Cb -0.09 -3.71 0.29 0.00 -0.44 0.00 0.00 34.13 30.18 3fki s GLU 68 CO 0.02 -0.69 1.25 0.00 0.95 0.00 0.00 175.26 176.79 3fki n ALA 69 N 6.51 3.19 1.19 -0.84 0.00 -1.26 -5.36 120.51 123.95 3fki n ALA 69 Ca 0.13 -0.31 0.10 0.00 0.00 0.00 0.00 53.44 53.35 3fki n ALA 69 Cb 0.45 -1.10 0.57 0.00 0.00 0.00 0.00 19.45 19.37 3fki n ALA 69 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04