#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 -0.41 -0.07 7.83 -1.08 -1.26 -5.16 116.67 116.52 1spw s ASP 2 Ca 0.00 0.18 -0.06 0.00 -0.52 0.00 0.00 52.55 52.15 1spw s ASP 2 Cb 0.00 0.39 0.02 0.00 -1.46 0.00 0.00 42.92 41.87 1spw s ASP 2 CO 0.00 -0.56 0.18 -0.63 0.52 0.00 0.00 175.17 174.68 1spw s ILE 3 N -2.39 0.00 -0.26 4.11 -1.09 -1.26 -4.26 121.20 116.05 1spw s ILE 3 Ca 0.01 -0.00 -0.01 0.00 -2.23 0.00 0.00 60.65 58.42 1spw s ILE 3 Cb -0.01 -0.26 0.08 0.00 -1.58 0.00 0.00 42.46 40.70 1spw s ILE 3 CO -0.04 -0.00 0.04 -0.31 -1.23 0.00 0.00 174.94 173.40 1spw s TYR 4 N 0.09 1.68 -0.17 3.97 2.02 -1.25 -3.80 117.35 119.90 1spw s TYR 4 Ca -0.00 -1.48 -0.04 0.00 -0.37 0.00 0.00 57.07 55.18 1spw s TYR 4 Cb -0.01 -1.49 -0.03 0.00 -0.40 0.00 0.00 41.96 40.03 1spw s TYR 4 CO 0.00 -0.77 -0.02 0.08 -1.57 0.00 0.00 175.55 173.27 1spw s VAL 5 N 1.63 3.93 0.39 0.71 1.01 -1.23 -1.02 120.40 125.82 1spw s VAL 5 Ca 0.03 -0.34 -0.27 0.00 0.00 0.00 0.00 61.98 61.40 1spw s VAL 5 Cb -0.18 -2.74 -0.11 0.00 0.00 0.00 0.00 36.38 33.36 1spw s VAL 5 CO -0.15 0.47 1.36 0.00 0.00 0.00 0.00 175.10 176.78 1spw n THR 7 N 0.10 2.64 -0.03 0.00 -2.24 -1.16 -2.29 114.28 111.30 1spw n THR 7 Ca 0.04 -1.58 -0.07 0.00 -2.27 0.00 0.00 64.05 60.18 1spw n THR 7 Cb 0.39 -0.28 -0.02 0.00 -2.10 0.00 0.00 70.33 68.32 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 0.23 0.53 -0.02 2.28 0.31 -1.26 -4.80 118.33 115.60 1spw n VAL 8 Ca 0.27 -0.03 0.04 0.00 -0.01 0.00 0.00 64.34 64.61 1spw n VAL 8 Cb 1.12 -1.63 -0.10 0.00 -0.91 0.00 0.00 33.84 32.32 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 1.87 0.77 3.06 0.00 0.00 -0.97 -5.05 105.19 104.87 1spw n GLY 10 Ca -0.06 0.00 -0.36 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 -2.11 -4.24 -4.81 1.61 9.36 -1.25 -4.41 117.16 111.32 1spw n TYR 11 Ca 0.00 0.08 -0.25 0.00 3.32 0.00 0.00 57.90 61.04 1spw n TYR 11 Cb 0.00 -1.47 -0.16 0.00 -0.63 0.00 0.00 39.34 37.08 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 -2.25 1.65 0.18 2.98 2.02 -1.26 -0.89 118.70 121.14 1spw s GLU 12 Ca 0.42 -0.59 0.10 0.00 0.02 0.00 0.00 54.97 54.91 1spw s GLU 12 Cb -0.15 -1.47 -0.04 0.00 0.10 0.00 0.00 34.13 32.57 1spw s GLU 12 CO 0.79 0.27 -0.14 -0.47 0.02 0.00 0.00 175.26 175.72 1spw s TYR 13 N -0.06 2.53 -0.40 1.61 5.04 -0.19 -4.98 117.35 120.90 1spw s TYR 13 Ca -0.01 -0.26 0.01 0.00 -2.44 0.00 0.00 57.07 54.37 1spw s TYR 13 Cb -0.10 -1.24 0.14 0.00 0.35 0.00 0.00 41.96 41.11 1spw s TYR 13 CO 0.01 0.51 0.25 0.34 -1.34 0.00 0.00 175.55 175.32 1spw s ASP 14 N -2.76 2.99 -0.12 4.32 -1.08 -1.26 -3.85 116.67 114.91 1spw s ASP 14 Ca 0.23 -2.52 -0.34 0.00 -0.52 0.00 0.00 52.55 49.40 1spw s ASP 14 Cb -0.09 -0.64 -0.16 0.00 -1.46 0.00 0.00 42.92 40.57 1spw s ASP 14 CO 0.13 -0.27 1.00 -2.65 0.52 0.00 0.00 175.17 173.90 1spw n PRO 15 N 3.63 0.00 0.00 4.34 -0.02 -1.26 -4.25 135.00 137.43 1spw n PRO 15 Ca 0.14 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.62 1spw n PRO 15 Cb 0.38 -1.22 0.00 0.00 -0.02 0.00 0.00 33.50 32.64 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 1.81 0.00 -0.74 3.55 0.00 -1.26 -4.89 120.51 118.98 1spw n ALA 16 Ca 0.19 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.57 1spw n ALA 16 Cb 0.03 0.00 0.09 0.00 0.00 0.00 0.00 19.45 19.57 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 -2.14 0.06 0.00 3.72 -1.26 -5.02 117.46 112.82 1spw n PHE 17 Ca 0.00 -0.17 0.00 0.00 -0.05 0.00 0.00 57.45 57.23 1spw n PHE 17 Cb 0.00 -0.54 0.00 0.00 -0.94 0.00 0.00 39.48 38.00 1spw n PHE 17 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 176.76 174.80 1spw n GLU 18 N -2.26 0.00 -1.54 -1.08 4.07 -1.26 -4.97 120.64 113.59 1spw n GLU 18 Ca 0.04 0.00 -0.26 0.00 -0.06 0.00 0.00 57.16 56.88 1spw n GLU 18 Cb 0.18 -0.31 -0.08 0.00 -0.06 0.00 0.00 31.44 31.18 1spw n GLU 18 CO 0.00 0.00 0.00 -0.25 -0.06 0.00 0.00 177.13 176.82 1spw n ASP 19 N -3.31 1.53 -3.64 4.31 9.92 -1.26 -4.80 116.55 119.29 1spw n ASP 19 Ca 0.00 -0.84 -0.28 0.00 -0.53 0.00 0.00 54.79 53.14 1spw n ASP 19 Cb 0.09 -1.45 -0.11 0.00 -0.64 0.00 0.00 41.12 39.01 1spw n ASP 19 CO 0.00 0.00 0.00 -0.22 0.13 0.00 0.00 177.20 177.11 1spw s LEU 20 N 11.77 2.94 0.84 0.64 1.98 -1.26 -5.11 118.68 130.48 1spw s LEU 20 Ca 1.03 -3.28 -0.12 0.00 -2.89 0.00 0.00 54.13 48.87 1spw s LEU 20 Cb -0.33 -1.00 0.12 0.00 0.66 0.00 0.00 46.19 45.63 1spw s LEU 20 CO 0.24 -0.16 1.19 -2.16 -1.89 0.00 0.00 176.35 173.58 1spw s PRO 21 N -0.46 1.57 -0.80 0.98 0.04 -1.26 -4.96 135.00 130.11 1spw s PRO 21 Ca 0.27 -0.15 -0.03 0.00 0.04 0.00 0.00 61.00 61.13 1spw s PRO 21 Cb -0.05 -1.96 0.18 0.00 0.04 0.00 0.00 34.50 32.71 1spw s PRO 21 CO -0.15 -1.80 2.38 -0.40 0.04 0.00 0.00 177.00 177.08 1spw n ASP 22 N -3.39 7.17 -2.65 6.66 5.75 -1.26 -4.18 116.55 124.65 1spw n ASP 22 Ca 0.10 -3.42 -0.02 0.00 -0.01 0.00 0.00 54.79 51.44 1spw n ASP 22 Cb 0.60 -1.21 0.06 0.00 -1.03 0.00 0.00 41.12 39.55 1spw n ASP 22 CO 0.00 0.00 0.00 -0.90 -0.11 0.00 0.00 177.20 176.19 1spw n ASP 23 N 0.55 -1.03 -4.81 -1.12 5.68 -1.26 -5.15 116.55 109.41 1spw n ASP 23 Ca 0.53 -1.54 -0.37 0.00 -0.50 0.00 0.00 54.79 52.91 1spw n ASP 23 Cb 0.37 1.01 -0.07 0.00 -1.14 0.00 0.00 41.12 41.30 1spw n ASP 23 CO 0.00 0.00 0.00 0.86 -1.33 0.00 0.00 177.20 176.73 1spw s TRP 24 N 0.01 3.57 -0.01 2.11 -0.00 -1.26 -5.06 118.94 118.29 1spw s TRP 24 Ca 0.13 0.63 0.05 0.00 -0.00 0.00 0.00 56.10 56.91 1spw s TRP 24 Cb 0.19 -2.16 -0.01 0.00 -0.00 0.00 0.00 33.47 31.50 1spw s TRP 24 CO -0.14 0.53 -0.15 0.00 -0.00 0.00 0.00 176.95 177.18 1spw s ALA 25 N -0.47 1.26 -0.48 5.86 0.00 -1.26 -1.97 121.76 124.70 1spw s ALA 25 Ca 0.17 -0.65 -0.35 0.00 0.00 0.00 0.00 51.96 51.12 1spw s ALA 25 Cb -0.13 -0.33 -0.14 0.00 0.00 0.00 0.00 23.12 22.53 1spw s ALA 25 CO 0.05 0.31 2.28 0.00 0.00 0.00 0.00 175.76 178.41 1spw h PRO 27 N 12.63 0.00 0.00 0.00 0.11 -1.89 1.64 132.00 144.49 1spw h PRO 27 Ca -0.21 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.90 1spw h PRO 27 Cb 1.33 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.44 1spw h PRO 27 CO 1.10 0.00 0.00 0.28 -0.21 0.00 0.00 178.00 179.17 1spw n VAL 28 N -2.58 0.00 -0.10 3.15 0.31 -1.26 -4.65 118.33 113.20 1spw n VAL 28 Ca -0.01 0.00 -0.08 0.00 -0.01 0.00 0.00 64.34 64.24 1spw n VAL 28 Cb 0.58 -0.12 -0.00 0.00 -0.91 0.00 0.00 33.84 33.39 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 -1.19 2.04 3.23 0.00 0.00 0.56 -4.99 105.19 104.84 1spw n GLY 30 Ca -0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.60 -3.94 -1.07 4.61 0.00 -1.26 -3.67 120.51 114.59 1spw n ALA 31 Ca 0.00 -0.71 -0.29 0.00 0.00 0.00 0.00 53.44 52.44 1spw n ALA 31 Cb 0.00 -1.49 0.21 0.00 0.00 0.00 0.00 19.45 18.17 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 -1.58 1.63 -0.05 0.00 1.04 -1.26 0.12 113.70 113.60 1spw s SER 32 Ca 0.49 0.94 0.08 0.00 0.48 0.00 0.00 55.95 57.94 1spw s SER 32 Cb -0.18 -1.42 0.32 0.00 0.10 0.00 0.00 66.02 64.84 1spw s SER 32 CO 0.73 -3.72 1.14 2.29 0.98 0.00 0.00 173.24 174.66 1spw n LYS 33 N -4.53 2.22 0.11 4.02 0.00 -0.83 -3.52 118.16 115.63 1spw n LYS 33 Ca 0.09 -1.26 0.06 0.00 -0.00 0.00 0.00 58.31 57.20 1spw n LYS 33 Cb 0.58 -1.54 0.01 0.00 -0.00 0.00 0.00 35.03 34.08 1spw n LYS 33 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.40 177.78 1spw h ASP 34 N 1.80 0.00 0.61 -5.58 2.03 -1.90 -3.18 116.42 110.20 1spw h ASP 34 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 1spw h ASP 34 Cb 0.79 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.29 1spw h ASP 34 CO 0.11 0.27 -0.08 0.00 -1.03 0.00 0.00 179.24 178.51 1spw n ALA 35 N -2.24 2.63 -2.10 4.15 0.00 -1.23 -4.81 120.51 116.91 1spw n ALA 35 Ca -0.02 -0.19 -0.40 0.00 0.00 0.00 0.00 53.44 52.84 1spw n ALA 35 Cb 0.67 -1.41 -0.06 0.00 0.00 0.00 0.00 19.45 18.66 1spw n ALA 35 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 1spw s PHE 36 N -2.69 3.86 0.02 0.00 0.40 -1.20 -2.99 117.98 115.38 1spw s PHE 36 Ca 0.23 1.65 -0.20 0.00 -0.60 0.00 0.00 56.93 58.02 1spw s PHE 36 Cb 0.20 -2.85 0.04 0.00 0.51 0.00 0.00 43.02 40.92 1spw s PHE 36 CO 0.50 0.40 0.44 -2.00 0.70 0.00 0.00 175.22 175.27 1spw s GLU 37 N -0.71 0.90 0.27 0.44 2.12 -1.24 -4.99 118.70 115.49 1spw s GLU 37 Ca 0.39 -0.22 -0.27 0.00 0.36 0.00 0.00 54.97 55.22 1spw s GLU 37 Cb -0.23 0.40 -0.15 0.00 0.26 0.00 0.00 34.13 34.41 1spw s GLU 37 CO 0.27 -0.29 0.67 1.17 -0.54 0.00 0.00 175.26 176.54 1spw n LYS 38 N 0.72 0.55 0.00 4.30 4.81 -1.26 -3.53 118.16 123.75 1spw n LYS 38 Ca -0.19 0.20 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1spw n LYS 38 Cb 0.59 -1.37 0.00 0.00 0.02 0.00 0.00 35.03 34.27 1spw n LYS 38 CO 0.00 0.00 0.00 0.94 1.17 0.00 0.00 177.40 179.51