#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1spw s ASP 2 N 0.00 5.22 0.00 7.83 -4.77 -1.26 -4.64 116.67 119.05 1spw s ASP 2 Ca 0.00 -3.31 -0.00 0.00 -3.30 0.00 0.00 52.55 45.94 1spw s ASP 2 Cb 0.00 -1.80 -0.00 0.00 -1.09 0.00 0.00 42.92 40.03 1spw s ASP 2 CO 0.00 -0.24 -0.00 -0.63 0.70 0.00 0.00 175.17 174.99 1spw s ILE 3 N -0.72 0.03 -0.77 2.11 1.01 -1.26 -4.15 121.20 117.45 1spw s ILE 3 Ca 0.21 -0.21 0.03 0.00 0.00 0.00 0.00 60.65 60.68 1spw s ILE 3 Cb -0.15 -0.07 0.26 0.00 0.01 0.00 0.00 42.46 42.51 1spw s ILE 3 CO -0.08 -0.12 0.92 -1.22 0.00 0.00 0.00 174.94 174.44 1spw n TYR 4 N 2.73 3.34 -2.46 3.97 4.01 -1.24 -2.92 117.16 124.58 1spw n TYR 4 Ca -0.15 -3.78 -0.43 0.00 -0.16 0.00 0.00 57.90 53.38 1spw n TYR 4 Cb 0.59 -0.77 -0.02 0.00 -0.31 0.00 0.00 39.34 38.83 1spw n TYR 4 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 1spw s VAL 5 N -2.45 4.27 0.71 -0.72 1.01 -1.25 -3.48 120.40 118.50 1spw s VAL 5 Ca 0.36 1.49 -0.16 0.00 0.00 0.00 0.00 61.98 63.67 1spw s VAL 5 Cb 0.10 -4.14 -0.01 0.00 0.00 0.00 0.00 36.38 32.33 1spw s VAL 5 CO 0.00 -0.33 0.87 0.00 0.00 0.00 0.00 175.10 175.64 1spw n THR 7 N -2.41 1.61 -0.05 0.00 -2.24 -1.26 -3.04 114.28 106.89 1spw n THR 7 Ca 0.12 -1.41 -0.11 0.00 -2.27 0.00 0.00 64.05 60.38 1spw n THR 7 Cb 0.49 0.14 -0.04 0.00 -2.10 0.00 0.00 70.33 68.83 1spw n THR 7 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 1spw n VAL 8 N 0.02 0.94 0.03 2.28 0.31 -1.26 -4.78 118.33 115.87 1spw n VAL 8 Ca 0.16 -0.03 0.06 0.00 -0.01 0.00 0.00 64.34 64.52 1spw n VAL 8 Cb 0.65 -1.77 -0.09 0.00 -0.91 0.00 0.00 33.84 31.71 1spw n VAL 8 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1spw n GLY 10 N 1.79 0.80 3.04 0.00 0.00 -1.17 -5.03 105.19 104.62 1spw n GLY 10 Ca -0.02 -0.04 -0.37 0.00 0.00 0.00 0.00 46.02 45.60 1spw n GLY 10 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1spw n TYR 11 N -2.39 -4.28 -3.91 1.61 9.36 -1.26 -4.33 117.16 111.96 1spw n TYR 11 Ca 0.00 0.15 -0.30 0.00 3.32 0.00 0.00 57.90 61.07 1spw n TYR 11 Cb 0.00 -1.50 -0.16 0.00 -0.63 0.00 0.00 39.34 37.05 1spw n TYR 11 CO 0.00 0.00 0.00 -1.21 0.22 0.00 0.00 176.86 175.87 1spw s GLU 12 N -1.59 1.53 0.22 2.98 2.02 -1.26 -0.80 118.70 121.80 1spw s GLU 12 Ca 0.46 -0.82 0.05 0.00 0.02 0.00 0.00 54.97 54.67 1spw s GLU 12 Cb -0.30 -2.41 -0.03 0.00 0.10 0.00 0.00 34.13 31.49 1spw s GLU 12 CO 0.75 -0.55 0.30 -0.47 0.02 0.00 0.00 175.26 175.31 1spw s TYR 13 N 1.49 3.37 -0.39 1.61 5.04 -1.23 -5.01 117.35 122.24 1spw s TYR 13 Ca -0.04 -0.02 0.01 0.00 -2.44 0.00 0.00 57.07 54.58 1spw s TYR 13 Cb -0.18 -1.55 0.13 0.00 0.35 0.00 0.00 41.96 40.72 1spw s TYR 13 CO -0.07 0.47 0.20 0.34 -1.34 0.00 0.00 175.55 175.16 1spw s ASP 14 N -3.79 3.49 -0.59 4.32 -1.08 -1.26 -3.72 116.67 114.04 1spw s ASP 14 Ca 0.34 -2.29 -0.26 0.00 -0.52 0.00 0.00 52.55 49.82 1spw s ASP 14 Cb -0.09 -0.78 -0.15 0.00 -1.46 0.00 0.00 42.92 40.43 1spw s ASP 14 CO 0.28 -0.31 1.81 -2.65 0.52 0.00 0.00 175.17 174.82 1spw n PRO 15 N 3.96 0.00 0.00 4.34 -0.02 -1.26 -4.58 135.00 137.44 1spw n PRO 15 Ca 0.07 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.55 1spw n PRO 15 Cb 0.37 -1.09 0.00 0.00 -0.02 0.00 0.00 33.50 32.75 1spw n PRO 15 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1spw n ALA 16 N 6.81 0.00 -3.40 3.55 0.00 -1.26 -5.09 120.51 121.12 1spw n ALA 16 Ca 0.45 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.84 1spw n ALA 16 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.44 1spw n ALA 16 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1spw n PHE 17 N 0.00 -0.11 -3.99 0.00 3.01 -1.26 -5.16 117.46 109.94 1spw n PHE 17 Ca 0.00 -0.61 -0.23 0.00 1.01 0.00 0.00 57.45 57.62 1spw n PHE 17 Cb 0.00 0.04 -0.17 0.00 -0.01 0.00 0.00 39.48 39.35 1spw n PHE 17 CO 0.00 0.00 0.00 -2.00 1.01 0.00 0.00 176.76 175.77 1spw s GLU 18 N -2.31 0.98 0.00 -1.08 2.12 -1.26 -4.96 118.70 112.18 1spw s GLU 18 Ca 0.08 -0.09 0.00 0.00 0.36 0.00 0.00 54.97 55.32 1spw s GLU 18 Cb 0.00 -1.10 0.00 0.00 0.26 0.00 0.00 34.13 33.29 1spw s GLU 18 CO 0.05 -0.20 0.00 -3.47 -0.54 0.00 0.00 175.26 171.11 1spw n ASP 19 N 4.64 -1.92 -3.91 -1.70 -0.08 -1.26 -5.02 116.55 107.29 1spw n ASP 19 Ca -0.15 0.00 -0.29 0.00 -1.51 0.00 0.00 54.79 52.84 1spw n ASP 19 Cb 0.50 -0.96 -0.12 0.00 2.34 0.00 0.00 41.12 42.88 1spw n ASP 19 CO 0.00 0.00 0.00 -0.22 0.12 0.00 0.00 177.20 177.10 1spw s LEU 20 N 0.00 4.72 1.06 -2.67 0.20 -1.26 -5.09 118.68 115.63 1spw s LEU 20 Ca 0.00 -3.66 -0.21 0.00 0.69 0.00 0.00 54.13 50.95 1spw s LEU 20 Cb 0.00 -1.64 -0.01 0.00 -0.43 0.00 0.00 46.19 44.11 1spw s LEU 20 CO 0.00 -0.12 -0.50 -2.65 -0.29 0.00 0.00 176.35 172.79 1spw n PRO 21 N 2.24 -0.88 -0.97 0.98 -0.02 -1.26 -4.81 135.00 130.27 1spw n PRO 21 Ca 0.16 -0.25 -0.21 0.00 -2.02 0.00 0.00 63.50 61.19 1spw n PRO 21 Cb 0.34 -1.45 0.07 0.00 -0.02 0.00 0.00 33.50 32.44 1spw n PRO 21 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1spw n ASP 22 N 0.30 6.01 -2.72 2.55 8.00 -1.26 -4.17 116.55 125.26 1spw n ASP 22 Ca 0.00 -3.22 -0.08 0.00 0.71 0.00 0.00 54.79 52.20 1spw n ASP 22 Cb 0.65 -0.95 0.09 0.00 -0.02 0.00 0.00 41.12 40.89 1spw n ASP 22 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 1spw n ASP 23 N -0.17 -2.18 -4.81 -2.24 3.85 -1.26 -5.13 116.55 104.61 1spw n ASP 23 Ca 0.40 -3.38 -0.39 0.00 -0.71 0.00 0.00 54.79 50.71 1spw n ASP 23 Cb 0.77 1.80 -0.06 0.00 -1.35 0.00 0.00 41.12 42.27 1spw n ASP 23 CO 0.00 0.00 0.00 0.86 -1.01 0.00 0.00 177.20 177.05 1spw s TRP 24 N 0.25 3.81 -0.02 2.11 -0.00 -1.26 -5.02 118.94 118.81 1spw s TRP 24 Ca 0.22 1.30 0.03 0.00 -0.00 0.00 0.00 56.10 57.66 1spw s TRP 24 Cb 0.29 -2.53 -0.00 0.00 -0.00 0.00 0.00 33.47 31.23 1spw s TRP 24 CO -0.08 0.57 -0.12 0.00 -0.00 0.00 0.00 176.95 177.32 1spw s ALA 25 N -1.07 1.08 0.16 5.86 0.00 -1.26 -1.88 121.76 124.64 1spw s ALA 25 Ca 0.30 -0.50 -0.33 0.00 0.00 0.00 0.00 51.96 51.43 1spw s ALA 25 Cb -0.20 -0.33 -0.16 0.00 0.00 0.00 0.00 23.12 22.43 1spw s ALA 25 CO 0.20 0.22 1.20 0.00 0.00 0.00 0.00 175.76 177.38 1spw n PRO 27 N 1.90 0.58 0.00 0.00 -0.04 -1.26 -2.17 135.00 134.01 1spw n PRO 27 Ca 0.16 0.02 0.00 0.00 -0.04 0.00 0.00 63.50 63.63 1spw n PRO 27 Cb 0.24 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.20 1spw n PRO 27 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1spw n VAL 28 N -1.04 0.00 -0.28 0.52 0.31 -1.26 -4.82 118.33 111.75 1spw n VAL 28 Ca 0.14 0.00 0.10 0.00 -0.01 0.00 0.00 64.34 64.58 1spw n VAL 28 Cb 0.08 -0.09 0.25 0.00 -0.91 0.00 0.00 33.84 33.17 1spw n VAL 28 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1spw n GLY 30 N -1.38 0.31 3.57 0.00 0.00 -0.92 -5.02 105.19 101.74 1spw n GLY 30 Ca 0.19 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.91 1spw n GLY 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1spw n ALA 31 N -1.79 -1.85 -1.59 4.61 0.00 -1.26 -4.24 120.51 114.39 1spw n ALA 31 Ca 0.00 -0.84 -0.29 0.00 0.00 0.00 0.00 53.44 52.31 1spw n ALA 31 Cb 0.00 -2.08 0.17 0.00 0.00 0.00 0.00 19.45 17.54 1spw n ALA 31 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1spw s SER 32 N -2.49 2.98 -0.18 0.00 1.04 -1.26 -0.06 113.70 113.73 1spw s SER 32 Ca 0.67 0.68 -0.05 0.00 0.48 0.00 0.00 55.95 57.73 1spw s SER 32 Cb -0.24 -1.03 -0.15 0.00 0.10 0.00 0.00 66.02 64.70 1spw s SER 32 CO 0.62 -2.85 3.32 2.29 0.98 0.00 0.00 173.24 177.59 1spw n LYS 33 N -3.92 2.17 -0.04 4.02 2.85 -0.79 -3.88 118.16 118.56 1spw n LYS 33 Ca 0.10 -1.50 -0.09 0.00 -1.05 0.00 0.00 58.31 55.78 1spw n LYS 33 Cb 0.59 -2.06 -0.03 0.00 -0.65 0.00 0.00 35.03 32.89 1spw n LYS 33 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 177.40 173.88 1spw n ASP 34 N 1.93 0.87 0.29 -5.58 2.03 -1.26 -4.57 116.55 110.26 1spw n ASP 34 Ca 0.45 0.14 0.17 0.00 0.52 0.00 0.00 54.79 56.07 1spw n ASP 34 Cb 0.78 -0.34 0.95 0.00 -0.72 0.00 0.00 41.12 41.79 1spw n ASP 34 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1spw h ALA 35 N -0.36 1.48 -2.74 -1.67 0.00 -1.97 -3.42 119.26 110.59 1spw h ALA 35 Ca -0.19 -0.00 -0.53 0.00 0.00 0.00 0.00 54.91 54.19 1spw h ALA 35 Cb 1.01 0.00 0.07 0.00 0.00 0.00 0.00 17.79 18.87 1spw h ALA 35 CO -0.12 -0.06 0.86 -0.06 0.00 0.00 0.00 179.25 179.88 1spw s PHE 36 N -4.54 2.89 0.09 0.00 0.40 -1.26 -4.17 117.98 111.39 1spw s PHE 36 Ca -0.05 0.78 0.10 0.00 -0.60 0.00 0.00 56.93 57.16 1spw s PHE 36 Cb 0.15 -3.98 -0.03 0.00 0.51 0.00 0.00 43.02 39.66 1spw s PHE 36 CO 0.52 -3.37 -0.26 -2.00 0.70 0.00 0.00 175.22 170.81 1spw s GLU 37 N -0.05 1.51 -0.70 0.44 2.56 -1.25 -5.01 118.70 116.19 1spw s GLU 37 Ca 0.64 -1.22 -0.22 0.00 0.00 0.00 0.00 54.97 54.17 1spw s GLU 37 Cb -0.46 -1.86 0.08 0.00 2.00 0.00 0.00 34.13 33.90 1spw s GLU 37 CO 0.42 0.46 0.98 0.21 -0.56 0.00 0.00 175.26 176.77 1spw s LYS 38 N -1.70 3.19 0.00 4.30 2.36 -1.26 -3.82 119.74 122.81 1spw s LYS 38 Ca 0.12 -1.01 0.00 0.00 -2.55 0.00 0.00 55.97 52.53 1spw s LYS 38 Cb -0.10 -4.35 0.00 0.00 -1.05 0.00 0.00 37.83 32.33 1spw s LYS 38 CO 0.04 -1.80 0.00 1.04 1.55 0.00 0.00 175.35 176.18