#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hjw n ARG 4 N 0.00 0.67 -2.14 -1.08 1.74 -1.26 -4.94 116.66 109.64 3hjw n ARG 4 Ca 0.00 -0.14 -0.42 0.00 -0.77 0.00 0.00 57.85 56.51 3hjw n ARG 4 Cb 0.00 -1.52 -0.03 0.00 -1.02 0.00 0.00 32.46 29.89 3hjw n ARG 4 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3hjw s ILE 5 N -3.23 3.49 0.31 0.55 1.01 -1.26 -4.63 121.20 117.44 3hjw s ILE 5 Ca -0.08 0.93 0.07 0.00 0.00 0.00 0.00 60.65 61.56 3hjw s ILE 5 Cb 0.12 -3.60 -0.06 0.00 0.01 0.00 0.00 42.46 38.93 3hjw s ILE 5 CO 0.89 0.01 -0.06 -0.13 0.00 0.00 0.00 174.94 175.65 3hjw s ARG 6 N 2.27 1.66 -0.07 2.79 0.52 0.10 -1.71 118.95 124.51 3hjw s ARG 6 Ca 0.66 -1.86 -0.12 0.00 -0.52 0.00 0.00 55.73 53.89 3hjw s ARG 6 Cb -0.34 -1.32 0.03 0.00 0.52 0.00 0.00 34.95 33.83 3hjw s ARG 6 CO 0.28 0.05 0.31 -1.59 0.02 0.00 0.00 175.30 174.37 3hjw s LYS 7 N -3.70 0.51 -0.03 3.54 -2.85 0.21 -0.92 119.74 116.50 3hjw s LYS 7 Ca 0.31 0.12 -0.30 0.00 -1.00 0.00 0.00 55.97 55.11 3hjw s LYS 7 Cb 0.04 0.23 -0.04 0.00 -2.06 0.00 0.00 37.83 36.01 3hjw s LYS 7 CO 0.14 -0.11 1.16 0.00 0.10 0.00 0.00 175.35 176.64 3hjw h PRO 9 N 7.23 0.00 0.00 0.00 0.13 -1.92 0.78 132.00 138.22 3hjw h PRO 9 Ca -0.36 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.77 3hjw h PRO 9 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 3hjw h PRO 9 CO 0.85 0.00 -0.65 1.17 -0.23 0.00 0.00 178.00 179.14 3hjw n LYS 10 N -2.50 0.37 -0.19 0.86 3.00 -1.26 -4.63 118.16 113.82 3hjw n LYS 10 Ca -0.01 0.21 -0.07 0.00 -0.00 0.00 0.00 58.31 58.45 3hjw n LYS 10 Cb 0.12 -1.23 0.03 0.00 0.00 0.00 0.00 35.03 33.95 3hjw n LYS 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3hjw n GLY 12 N -1.10 0.93 3.73 0.00 0.00 0.27 -5.01 105.19 104.01 3hjw n GLY 12 Ca 0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 3hjw n GLY 12 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3hjw s ARG 13 N -0.29 4.34 0.08 1.61 6.06 -1.26 -4.68 118.95 124.81 3hjw s ARG 13 Ca 0.00 2.12 -0.24 0.00 -2.50 0.00 0.00 55.73 55.12 3hjw s ARG 13 Cb 0.00 -3.19 -0.06 0.00 0.06 0.00 0.00 34.95 31.76 3hjw s ARG 13 CO 0.00 -0.35 0.72 0.71 -2.50 0.00 0.00 175.30 173.88 3hjw s TYR 14 N 0.37 3.80 0.17 5.12 1.51 -1.26 -1.13 117.35 125.93 3hjw s TYR 14 Ca 0.60 1.46 -0.20 0.00 -1.01 0.00 0.00 57.07 57.91 3hjw s TYR 14 Cb -0.38 -2.73 0.05 0.00 -0.11 0.00 0.00 41.96 38.80 3hjw s TYR 14 CO 0.37 0.41 0.55 -0.08 -1.11 0.00 0.00 175.55 175.69 3hjw s THR 15 N -0.59 0.02 -0.98 -0.71 -1.32 -0.10 -4.98 115.64 106.98 3hjw s THR 15 Ca 0.35 -0.34 0.24 0.00 -1.21 0.00 0.00 61.69 60.72 3hjw s THR 15 Cb -0.21 -1.21 -0.07 0.00 -1.51 0.00 0.00 72.50 69.50 3hjw s THR 15 CO 0.23 -0.10 1.24 0.18 -2.21 0.00 0.00 174.62 173.96 3hjw n LEU 16 N -0.34 0.66 -4.89 9.08 4.77 -1.26 -0.73 117.00 124.30 3hjw n LEU 16 Ca -0.15 -0.15 -0.29 0.00 -0.03 0.00 0.00 56.01 55.39 3hjw n LEU 16 Cb 0.64 -0.16 -0.02 0.00 -2.33 0.00 0.00 43.42 41.55 3hjw n LEU 16 CO 0.14 0.16 0.47 -0.54 -1.33 0.00 0.00 177.39 176.29 3hjw s LYS 17 N -3.01 3.67 0.34 3.23 1.02 -1.26 -4.87 119.74 118.86 3hjw s LYS 17 Ca 0.10 0.39 0.18 0.00 0.02 0.00 0.00 55.97 56.65 3hjw s LYS 17 Cb 0.17 -2.35 0.50 0.00 -0.52 0.00 0.00 37.83 35.63 3hjw s LYS 17 CO 0.76 -0.16 1.65 0.93 -0.92 0.00 0.00 175.35 177.61 3hjw h GLU 18 N 0.68 0.00 -5.33 1.68 5.08 -1.95 -3.43 114.58 111.31 3hjw h GLU 18 Ca -0.47 0.00 -0.64 0.00 -1.00 0.00 0.00 59.36 57.25 3hjw h GLU 18 Cb 1.19 0.00 -0.33 0.00 0.50 0.00 0.00 28.75 30.12 3hjw h GLU 18 CO 0.63 0.42 -0.87 0.14 -1.00 0.00 0.00 179.01 178.34 3hjw s VAL 19 N -3.42 1.84 0.05 3.13 -7.23 -1.26 -0.64 120.40 112.87 3hjw s VAL 19 Ca 0.01 -0.91 -0.34 0.00 -1.81 0.00 0.00 61.98 58.94 3hjw s VAL 19 Cb 0.10 -1.59 -0.13 0.00 0.56 0.00 0.00 36.38 35.33 3hjw s VAL 19 CO 0.70 0.51 1.74 0.00 -0.31 0.00 0.00 175.10 177.74 3hjw h PRO 21 N 7.65 0.00 0.00 0.00 0.13 -1.95 -1.92 132.00 135.90 3hjw h PRO 21 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 3hjw h PRO 21 Cb 1.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 3hjw h PRO 21 CO 0.92 0.00 0.00 0.28 -0.23 0.00 0.00 178.00 178.97 3hjw n VAL 22 N -2.67 0.00 -0.07 1.56 0.31 -1.26 -4.75 118.33 111.45 3hjw n VAL 22 Ca 0.00 0.37 -0.14 0.00 -0.01 0.00 0.00 64.34 64.56 3hjw n VAL 22 Cb 0.21 -1.29 -0.03 0.00 -0.91 0.00 0.00 33.84 31.83 3hjw n VAL 22 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3hjw n GLY 24 N 0.34 0.60 3.83 0.00 0.00 -0.72 -5.01 105.19 104.22 3hjw n GLY 24 Ca -0.04 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.66 3hjw n GLY 24 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3hjw s GLU 25 N -0.81 3.51 0.09 1.61 0.41 -1.26 -4.47 118.70 117.78 3hjw s GLU 25 Ca 0.00 1.02 -0.31 0.00 -0.41 0.00 0.00 54.97 55.27 3hjw s GLU 25 Cb 0.00 -2.07 -0.09 0.00 -1.78 0.00 0.00 34.13 30.20 3hjw s GLU 25 CO 0.00 -0.64 1.63 0.15 -0.49 0.00 0.00 175.26 175.91 3hjw s LYS 26 N -4.37 4.20 0.47 1.61 -0.14 -1.26 -0.05 119.74 120.20 3hjw s LYS 26 Ca 0.60 2.34 -0.08 0.00 -1.36 0.00 0.00 55.97 57.46 3hjw s LYS 26 Cb -0.13 -3.48 -0.05 0.00 -1.68 0.00 0.00 37.83 32.49 3hjw s LYS 26 CO 0.40 -0.70 0.81 0.95 -0.76 0.00 0.00 175.35 176.05 3hjw s THR 27 N 2.25 4.83 0.25 2.17 -4.23 0.19 -4.52 115.64 116.58 3hjw s THR 27 Ca 0.73 0.47 0.12 0.00 -1.18 0.00 0.00 61.69 61.83 3hjw s THR 27 Cb -0.41 -3.81 -0.05 0.00 1.34 0.00 0.00 72.50 69.58 3hjw s THR 27 CO 0.32 -0.74 -0.20 -0.54 -0.54 0.00 0.00 174.62 172.92 3hjw s LYS 28 N -4.40 1.67 0.28 3.99 1.02 -0.79 -4.92 119.74 116.60 3hjw s LYS 28 Ca 0.50 -1.68 -0.30 0.00 0.02 0.00 0.00 55.97 54.50 3hjw s LYS 28 Cb -0.10 -1.81 -0.12 0.00 -0.52 0.00 0.00 37.83 35.28 3hjw s LYS 28 CO 0.40 0.35 1.60 0.28 -0.92 0.00 0.00 175.35 177.06 3hjw n VAL 29 N -0.39 0.93 0.10 3.17 0.31 -1.26 -0.62 118.33 120.58 3hjw n VAL 29 Ca -0.07 -0.23 -0.05 0.00 -0.01 0.00 0.00 64.34 63.98 3hjw n VAL 29 Cb 0.59 -1.95 0.09 0.00 -0.91 0.00 0.00 33.84 31.66 3hjw n VAL 29 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3hjw h ALA 30 N 4.94 0.78 -2.76 3.52 0.00 -1.62 -3.45 119.26 120.68 3hjw h ALA 30 Ca -0.47 -0.61 -0.50 0.00 0.00 0.00 0.00 54.91 53.34 3hjw h ALA 30 Cb 1.22 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.92 3hjw h ALA 30 CO 0.81 0.81 0.39 -1.01 0.00 0.00 0.00 179.25 180.24 3hjw s HIS 31 N -3.55 3.85 0.69 0.00 3.76 -1.26 -5.01 115.29 113.77 3hjw s HIS 31 Ca -0.03 1.84 -0.13 0.00 -0.15 0.00 0.00 55.06 56.60 3hjw s HIS 31 Cb 0.12 -3.08 0.01 0.00 1.11 0.00 0.00 32.58 30.74 3hjw s HIS 31 CO 0.80 0.12 1.08 -1.25 -0.85 0.00 0.00 174.74 174.64 3hjw s PRO 32 N -1.21 2.75 0.73 8.40 0.04 -1.26 -5.00 135.00 139.45 3hjw s PRO 32 Ca 0.42 1.18 -0.16 0.00 0.04 0.00 0.00 61.00 62.49 3hjw s PRO 32 Cb -0.28 -1.96 0.04 0.00 0.04 0.00 0.00 34.50 32.34 3hjw s PRO 32 CO 0.35 -1.26 1.25 -0.35 0.04 0.00 0.00 177.00 177.03 3hjw n PRO 33 N -2.88 0.65 -2.20 0.56 -0.04 -1.26 -4.97 135.00 124.86 3hjw n PRO 33 Ca 0.09 0.29 -0.37 0.00 -0.04 0.00 0.00 63.50 63.47 3hjw n PRO 33 Cb 0.53 -2.49 -0.00 0.00 -0.04 0.00 0.00 33.50 31.50 3hjw n PRO 33 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 3hjw s ARG 34 N -3.75 3.59 -0.04 0.54 0.52 -1.26 -5.04 118.95 113.50 3hjw s ARG 34 Ca 0.78 1.79 0.04 0.00 -0.52 0.00 0.00 55.73 57.82 3hjw s ARG 34 Cb -0.34 -2.30 0.00 0.00 0.52 0.00 0.00 34.95 32.84 3hjw s ARG 34 CO 0.45 -0.70 -0.14 0.12 0.02 0.00 0.00 175.30 175.05 3hjw s PHE 35 N -1.57 1.48 -0.13 -0.53 5.36 -1.26 -5.14 117.98 116.20 3hjw s PHE 35 Ca 0.67 -0.43 -0.04 0.00 -0.96 0.00 0.00 56.93 56.17 3hjw s PHE 35 Cb -0.29 -1.02 -0.03 0.00 -0.34 0.00 0.00 43.02 41.34 3hjw s PHE 35 CO 0.34 -0.16 -0.00 -1.12 -1.46 0.00 0.00 175.22 172.82 3hjw s SER 36 N 0.16 5.13 0.47 6.13 0.01 -1.26 -5.00 113.70 119.34 3hjw s SER 36 Ca -0.05 0.02 0.13 0.00 1.31 0.00 0.00 55.95 57.36 3hjw s SER 36 Cb -0.11 -1.68 1.10 0.00 0.21 0.00 0.00 66.02 65.53 3hjw s SER 36 CO 0.02 0.26 2.09 1.55 0.41 0.00 0.00 173.24 177.57 3hjw h PRO 37 N 6.06 0.15 -0.56 12.44 0.13 -2.07 -0.95 132.00 147.20 3hjw h PRO 37 Ca -0.40 -0.01 -0.06 0.00 -0.87 0.00 0.00 66.00 64.65 3hjw h PRO 37 Cb 1.19 -0.03 -0.02 0.00 0.13 0.00 0.00 31.00 32.26 3hjw h PRO 37 CO 0.61 0.14 0.10 0.93 -0.23 0.00 0.00 178.00 179.55 3hjw h GLU 38 N 0.15 0.89 -6.60 0.86 3.07 -2.06 -3.48 114.58 107.41 3hjw h GLU 38 Ca 0.04 -0.20 -0.47 0.00 -0.50 0.00 0.00 59.36 58.23 3hjw h GLU 38 Cb 0.05 -0.12 0.01 0.00 -0.84 0.00 0.00 28.75 27.85 3hjw h GLU 38 CO -0.00 0.82 -0.95 -3.47 -1.40 0.00 0.00 179.01 174.01 3hjw n ASP 39 N -4.25 -4.99 -0.02 1.42 2.03 -0.36 -4.85 116.55 105.54 3hjw n ASP 39 Ca 0.04 -0.99 0.13 0.00 0.52 0.00 0.00 54.79 54.48 3hjw n ASP 39 Cb 0.26 -2.25 0.56 0.00 -0.72 0.00 0.00 41.12 38.96 3hjw n ASP 39 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 3hjw h PRO 40 N -1.15 0.27 -0.13 -0.67 0.11 -1.92 -2.84 132.00 125.67 3hjw h PRO 40 Ca -0.61 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.49 3hjw h PRO 40 Cb 1.36 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.41 3hjw h PRO 40 CO 0.42 0.18 0.00 0.66 -0.21 0.00 0.00 178.00 179.05 3hjw n TYR 41 N -4.46 0.33 -0.26 0.65 4.02 -1.26 -4.68 117.16 111.49 3hjw n TYR 41 Ca 0.08 -0.77 0.07 0.00 -0.01 0.00 0.00 57.90 57.27 3hjw n TYR 41 Cb 0.37 -0.15 0.19 0.00 -0.02 0.00 0.00 39.34 39.73 3hjw n TYR 41 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 176.86 176.63 3hjw h GLY 42 N 0.82 0.96 0.34 2.72 0.00 -1.87 0.39 103.07 106.43 3hjw h GLY 42 Ca 0.00 0.07 0.07 0.00 0.00 0.00 0.00 47.33 47.47 3hjw h GLY 42 CO 0.06 -0.30 -0.07 -2.09 0.00 0.00 0.00 176.54 174.15 3hjw h GLU 43 N 0.14 0.02 0.01 4.80 4.81 -1.84 0.71 114.58 123.23 3hjw h GLU 43 Ca 0.44 -0.00 -0.24 0.00 -0.13 0.00 0.00 59.36 59.43 3hjw h GLU 43 Cb 0.80 -0.00 0.01 0.00 0.63 0.00 0.00 28.75 30.18 3hjw h GLU 43 CO -0.65 0.01 -0.98 1.88 -0.73 0.00 0.00 179.01 178.54 3hjw h TYR 44 N 0.02 0.68 -0.61 0.92 -1.99 -1.46 -2.23 116.97 112.29 3hjw h TYR 44 Ca 0.17 -0.38 -0.01 0.00 2.00 0.00 0.00 58.73 60.51 3hjw h TYR 44 Cb 0.25 -0.07 -0.03 0.00 2.00 0.00 0.00 36.73 38.88 3hjw h TYR 44 CO -0.30 1.20 0.35 -0.09 -0.00 0.00 0.00 178.16 179.32 3hjw h ARG 45 N 0.25 0.85 -0.33 4.88 2.43 -0.09 -2.54 114.38 119.83 3hjw h ARG 45 Ca -0.09 -0.09 0.02 0.00 -0.81 0.00 0.00 59.98 59.01 3hjw h ARG 45 Cb 1.62 -0.17 -0.02 0.00 -0.42 0.00 0.00 29.97 30.99 3hjw h ARG 45 CO 0.17 0.63 0.22 0.00 -1.51 0.00 0.00 179.97 179.48 3hjw h ARG 46 N 0.83 0.36 -0.32 0.20 3.08 0.56 -0.41 114.38 118.68 3hjw h ARG 46 Ca 0.22 -0.02 -0.15 0.00 0.07 0.00 0.00 59.98 60.10 3hjw h ARG 46 Cb 0.02 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 29.98 3hjw h ARG 46 CO -0.04 0.24 -0.40 -0.09 -1.07 0.00 0.00 179.97 178.62 3hjw h ARG 47 N 0.38 0.78 -0.21 0.04 2.43 -1.02 0.20 114.38 116.97 3hjw h ARG 47 Ca 0.13 -0.41 -0.02 0.00 -0.81 0.00 0.00 59.98 58.87 3hjw h ARG 47 Cb 0.05 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.61 3hjw h ARG 47 CO -0.03 1.04 0.06 2.35 -1.51 0.00 0.00 179.97 181.88 3hjw h TRP 48 N 0.64 0.35 -0.42 2.20 7.01 -1.05 -2.84 115.95 121.84 3hjw h TRP 48 Ca 0.05 -0.04 -0.07 0.00 2.11 0.00 0.00 58.89 60.94 3hjw h TRP 48 Cb 0.95 -0.10 -0.02 0.00 -2.10 0.00 0.00 29.16 27.89 3hjw h TRP 48 CO 0.05 0.44 -0.05 -0.22 -2.79 0.00 0.00 178.44 175.87 3hjw h LYS 49 N 0.17 0.70 -0.76 2.65 3.64 -0.96 -1.70 116.57 120.31 3hjw h LYS 49 Ca 0.07 -0.20 -0.06 0.00 -1.27 0.00 0.00 60.65 59.19 3hjw h LYS 49 Cb 0.26 -0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 31.97 3hjw h LYS 49 CO -0.00 0.75 0.25 0.00 -2.27 0.00 0.00 179.45 178.18 3hjw h ARG 50 N 0.65 1.17 -0.60 1.90 3.08 -0.98 -1.35 114.38 118.26 3hjw h ARG 50 Ca 0.12 -0.24 -0.07 0.00 0.07 0.00 0.00 59.98 59.86 3hjw h ARG 50 Cb 0.48 -0.17 -0.03 0.00 0.08 0.00 0.00 29.97 30.33 3hjw h ARG 50 CO 0.02 0.98 0.11 1.49 -1.07 0.00 0.00 179.97 181.51 3hjw h GLU 51 N 1.13 0.95 -0.25 0.04 4.81 -1.20 -2.64 114.58 117.42 3hjw h GLU 51 Ca 0.25 -0.23 -0.12 0.00 -0.13 0.00 0.00 59.36 59.13 3hjw h GLU 51 Cb 0.29 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.53 3hjw h GLU 51 CO -0.01 0.87 -0.34 0.28 -0.73 0.00 0.00 179.01 179.08 3hjw h VAL 52 N 0.90 1.29 -0.01 0.32 2.07 -1.00 -3.28 116.25 116.54 3hjw h VAL 52 Ca 0.19 -1.47 0.00 0.00 0.82 0.00 0.00 66.70 66.24 3hjw h VAL 52 Cb 0.38 1.47 0.00 0.00 -1.52 0.00 0.00 31.29 31.61 3hjw h VAL 52 CO 0.01 0.46 -0.12 0.18 0.02 0.00 0.00 177.57 178.12 3hjw n LEU 53 N -4.06 1.56 -0.44 2.57 4.77 -0.54 -4.90 117.00 115.96 3hjw n LEU 53 Ca -0.01 -0.50 -0.06 0.00 -0.03 0.00 0.00 56.01 55.41 3hjw n LEU 53 Cb 0.48 -0.04 -0.02 0.00 -2.33 0.00 0.00 43.42 41.50 3hjw n LEU 53 CO 0.44 0.27 -0.05 0.61 -1.33 0.00 0.00 177.39 177.33 3hjw n GLY 54 N 1.27 0.80 0.61 -0.72 0.00 -1.17 -5.08 105.19 100.90 3hjw n GLY 54 Ca 0.15 -0.48 0.13 0.00 0.00 0.00 0.00 46.02 45.83 3hjw n GLY 54 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83