#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 7rxn s LYS 2 N 0.00 4.08 0.27 0.03 2.20 -1.26 -4.65 119.74 120.41 7rxn s LYS 2 Ca 0.00 2.45 -0.15 0.00 -0.36 0.00 0.00 55.97 57.91 7rxn s LYS 2 Cb 0.00 -4.13 -0.08 0.00 -1.51 0.00 0.00 37.83 32.11 7rxn s LYS 2 CO 0.00 -1.01 0.68 0.15 -0.36 0.00 0.00 175.35 174.81 7rxn s LYS 3 N 4.48 4.00 0.01 4.03 1.02 -1.26 -4.60 119.74 127.41 7rxn s LYS 3 Ca 0.85 0.61 0.04 0.00 0.02 0.00 0.00 55.97 57.49 7rxn s LYS 3 Cb -0.39 -2.60 -0.01 0.00 -0.52 0.00 0.00 37.83 34.30 7rxn s LYS 3 CO 0.38 0.26 -0.13 0.71 -0.92 0.00 0.00 175.35 175.65 7rxn s TYR 4 N -1.82 1.12 -0.06 3.18 2.02 -0.89 -0.96 117.35 119.94 7rxn s TYR 4 Ca 0.49 -0.25 0.04 0.00 -0.37 0.00 0.00 57.07 56.98 7rxn s TYR 4 Cb -0.12 -0.70 -0.02 0.00 -0.40 0.00 0.00 41.96 40.72 7rxn s TYR 4 CO 0.19 -0.00 -0.18 0.54 -1.57 0.00 0.00 175.55 174.53 7rxn s VAL 5 N -0.46 2.74 0.00 0.71 0.11 -0.10 0.05 120.40 123.45 7rxn s VAL 5 Ca 0.04 -0.83 -0.30 0.00 -2.93 0.00 0.00 61.98 57.96 7rxn s VAL 5 Cb -0.06 -2.06 -0.06 0.00 -1.53 0.00 0.00 36.38 32.67 7rxn s VAL 5 CO 0.00 0.57 1.43 0.00 -3.33 0.00 0.00 175.10 173.78 7rxn n THR 7 N 4.70 0.14 -0.09 0.00 -2.24 -0.01 -0.46 114.28 116.32 7rxn n THR 7 Ca 0.14 -0.20 -0.14 0.00 -2.27 0.00 0.00 64.05 61.58 7rxn n THR 7 Cb 0.43 0.08 -0.06 0.00 -2.10 0.00 0.00 70.33 68.69 7rxn n THR 7 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 7rxn n VAL 8 N -0.14 1.48 -0.02 2.28 0.31 -1.26 -4.81 118.33 116.17 7rxn n VAL 8 Ca 0.14 0.07 0.00 0.00 -0.01 0.00 0.00 64.34 64.53 7rxn n VAL 8 Cb 0.20 -2.21 0.00 0.00 -0.91 0.00 0.00 33.84 30.92 7rxn n VAL 8 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 7rxn n GLY 10 N 0.64 1.56 3.65 0.00 0.00 0.40 -5.02 105.19 106.41 7rxn n GLY 10 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 7rxn n GLY 10 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 7rxn n TYR 11 N -2.00 1.67 -4.10 1.61 9.36 -1.26 -4.62 117.16 117.82 7rxn n TYR 11 Ca 0.00 0.57 -0.35 0.00 3.32 0.00 0.00 57.90 61.44 7rxn n TYR 11 Cb 0.00 -2.31 -0.14 0.00 -0.63 0.00 0.00 39.34 36.26 7rxn n TYR 11 CO 0.00 0.00 0.00 -2.00 0.22 0.00 0.00 176.86 175.08 7rxn s GLU 12 N -1.96 3.41 -0.12 2.98 2.12 -1.26 0.20 118.70 124.06 7rxn s GLU 12 Ca 0.60 -0.62 -0.28 0.00 0.36 0.00 0.00 54.97 55.03 7rxn s GLU 12 Cb -0.57 -2.94 -0.01 0.00 0.26 0.00 0.00 34.13 30.87 7rxn s GLU 12 CO 0.59 -0.08 0.94 -0.47 -0.54 0.00 0.00 175.26 175.70 7rxn s TYR 13 N 1.17 3.49 -0.27 5.30 5.04 0.11 -4.95 117.35 127.24 7rxn s TYR 13 Ca 0.02 1.48 0.01 0.00 -2.44 0.00 0.00 57.07 56.14 7rxn s TYR 13 Cb -0.14 -3.12 0.06 0.00 0.35 0.00 0.00 41.96 39.10 7rxn s TYR 13 CO -0.01 -0.22 -0.07 0.34 -1.34 0.00 0.00 175.55 174.25 7rxn s ASP 14 N 1.10 4.59 0.51 4.32 2.15 -1.26 -2.10 116.67 125.98 7rxn s ASP 14 Ca 0.45 -1.34 0.20 0.00 0.43 0.00 0.00 52.55 52.29 7rxn s ASP 14 Cb -0.18 -1.61 1.30 0.00 -0.30 0.00 0.00 42.92 42.13 7rxn s ASP 14 CO 0.16 -0.21 2.06 -0.65 -0.17 0.00 0.00 175.17 176.36 7rxn h PRO 15 N 7.86 0.05 0.00 4.34 0.11 -1.81 -0.09 132.00 142.46 7rxn h PRO 15 Ca -0.20 -0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.90 7rxn h PRO 15 Cb 1.05 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 32.15 7rxn h PRO 15 CO 0.49 0.03 -0.02 0.00 -0.21 0.00 0.00 178.00 178.29 7rxn h ALA 16 N 1.84 1.03 0.00 -0.75 0.00 -1.88 0.12 119.26 119.61 7rxn h ALA 16 Ca 0.15 -0.02 -0.14 0.00 0.00 0.00 0.00 54.91 54.90 7rxn h ALA 16 Cb 0.54 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.30 7rxn h ALA 16 CO -0.01 0.03 -1.88 0.39 0.00 0.00 0.00 179.25 177.78 7rxn n GLU 17 N -3.15 1.07 0.00 0.00 1.02 -0.42 -3.94 120.64 115.22 7rxn n GLU 17 Ca -0.01 -0.07 0.00 0.00 -0.02 0.00 0.00 57.16 57.06 7rxn n GLU 17 Cb 0.24 -1.38 0.00 0.00 -0.02 0.00 0.00 31.44 30.28 7rxn n GLU 17 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 7rxn n GLY 18 N 1.86 0.67 2.62 0.62 0.00 -0.18 -4.09 105.19 106.70 7rxn n GLY 18 Ca -0.14 -0.75 -0.11 0.00 0.00 0.00 0.00 46.02 45.01 7rxn n GLY 18 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 7rxn n ASP 19 N -2.21 -2.29 -0.25 1.61 2.03 0.01 -4.75 116.55 110.69 7rxn n ASP 19 Ca 0.00 -3.03 0.04 0.00 0.52 0.00 0.00 54.79 52.32 7rxn n ASP 19 Cb 0.00 1.18 0.17 0.00 -0.72 0.00 0.00 41.12 41.75 7rxn n ASP 19 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 7rxn h PRO 20 N 4.38 0.44 0.00 -0.67 0.11 -1.75 -1.71 132.00 132.79 7rxn h PRO 20 Ca -0.02 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.06 7rxn h PRO 20 Cb 1.01 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.02 7rxn h PRO 20 CO 0.28 0.29 0.00 -0.40 -0.21 0.00 0.00 178.00 177.96 7rxn n ASP 21 N -4.99 0.00 -0.66 -2.05 5.75 -1.26 -1.68 116.55 111.66 7rxn n ASP 21 Ca 0.13 -0.75 0.09 0.00 -0.01 0.00 0.00 54.79 54.25 7rxn n ASP 21 Cb 0.38 0.00 0.22 0.00 -1.03 0.00 0.00 41.12 40.69 7rxn n ASP 21 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 7rxn n ASN 22 N -0.98 3.43 -1.23 -1.12 3.02 -0.69 -4.98 115.26 112.70 7rxn n ASN 22 Ca 0.17 -2.98 -0.10 0.00 -0.03 0.00 0.00 54.58 51.64 7rxn n ASN 22 Cb 0.08 -0.49 0.00 0.00 -0.61 0.00 0.00 39.78 38.76 7rxn n ASN 22 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 7rxn n GLY 23 N -0.70 0.06 3.06 7.41 0.00 -0.67 -5.02 105.19 109.31 7rxn n GLY 23 Ca 0.19 -0.45 -0.32 0.00 0.00 0.00 0.00 46.02 45.44 7rxn n GLY 23 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 7rxn s VAL 24 N -2.61 2.38 0.77 1.61 1.01 -0.91 -5.01 120.40 117.65 7rxn s VAL 24 Ca 0.06 -1.96 -0.11 0.00 0.00 0.00 0.00 61.98 59.97 7rxn s VAL 24 Cb -0.03 -2.58 0.06 0.00 0.00 0.00 0.00 36.38 33.83 7rxn s VAL 24 CO 0.07 -0.34 1.08 -1.59 0.00 0.00 0.00 175.10 174.33 7rxn s LYS 25 N 1.03 2.28 0.37 2.72 -2.85 -1.26 -0.81 119.74 121.22 7rxn s LYS 25 Ca 0.01 0.87 -0.28 0.00 -1.00 0.00 0.00 55.97 55.57 7rxn s LYS 25 Cb -0.20 -1.92 -0.11 0.00 -2.06 0.00 0.00 37.83 33.54 7rxn s LYS 25 CO -0.06 -1.55 1.49 -2.30 0.10 0.00 0.00 175.35 173.04 7rxn n PRO 26 N -3.42 2.68 0.00 1.78 -0.02 -1.26 -2.47 135.00 132.29 7rxn n PRO 26 Ca 0.08 0.94 0.00 0.00 -2.02 0.00 0.00 63.50 62.49 7rxn n PRO 26 Cb 0.55 -2.67 0.00 0.00 -0.02 0.00 0.00 33.50 31.35 7rxn n PRO 26 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 7rxn n GLY 27 N 0.53 0.37 3.69 -1.23 0.00 0.41 -4.91 105.19 104.05 7rxn n GLY 27 Ca 0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 7rxn n GLY 27 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 7rxn s THR 28 N -2.00 4.81 0.65 2.61 2.01 -1.03 -4.92 115.64 117.77 7rxn s THR 28 Ca 0.00 1.97 -0.17 0.00 0.31 0.00 0.00 61.69 63.81 7rxn s THR 28 Cb 0.00 -4.28 -0.00 0.00 0.01 0.00 0.00 72.50 68.22 7rxn s THR 28 CO 0.00 0.03 1.18 -0.94 -0.69 0.00 0.00 174.62 174.19 7rxn s SER 29 N 1.09 4.88 0.41 3.53 1.04 -1.26 -4.46 113.70 118.93 7rxn s SER 29 Ca 0.47 2.26 0.08 0.00 0.48 0.00 0.00 55.95 59.24 7rxn s SER 29 Cb -0.18 -2.58 0.88 0.00 0.10 0.00 0.00 66.02 64.24 7rxn s SER 29 CO 0.18 -1.79 2.05 0.15 0.98 0.00 0.00 173.24 174.80 7rxn h PHE 30 N 0.30 0.51 0.00 5.02 3.04 -1.96 -1.38 116.94 122.48 7rxn h PHE 30 Ca -0.49 0.01 -0.05 0.00 3.98 0.00 0.00 57.97 61.42 7rxn h PHE 30 Cb 1.28 -0.17 -0.01 0.00 2.56 0.00 0.00 35.95 39.61 7rxn h PHE 30 CO 0.49 0.31 -0.26 -0.44 -2.02 0.00 0.00 178.31 176.39 7rxn h ASP 31 N 0.54 0.00 -0.40 0.41 3.45 -1.96 -2.19 116.42 116.28 7rxn h ASP 31 Ca 0.17 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.63 7rxn h ASP 31 Cb 0.03 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.80 7rxn h ASP 31 CO -0.04 0.26 0.00 0.47 -1.57 0.00 0.00 179.24 178.36 7rxn n ASP 32 N -3.44 3.22 -4.76 6.45 8.00 -0.52 -4.98 116.55 120.52 7rxn n ASP 32 Ca -0.00 -2.31 -0.35 0.00 0.71 0.00 0.00 54.79 52.84 7rxn n ASP 32 Cb 0.44 -0.47 0.02 0.00 -0.02 0.00 0.00 41.12 41.09 7rxn n ASP 32 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 7rxn s LEU 33 N -1.37 3.67 0.52 0.64 1.43 -0.82 -4.92 118.68 117.83 7rxn s LEU 33 Ca 0.32 2.27 -0.22 0.00 -1.03 0.00 0.00 54.13 55.47 7rxn s LEU 33 Cb 0.21 -4.59 -0.07 0.00 0.03 0.00 0.00 46.19 41.77 7rxn s LEU 33 CO 0.15 -1.46 1.13 -2.65 0.23 0.00 0.00 176.35 173.74 7rxn n PRO 34 N -1.56 1.37 -0.03 1.29 -0.02 -1.26 -4.87 135.00 129.92 7rxn n PRO 34 Ca 0.13 0.50 0.13 0.00 -2.02 0.00 0.00 63.50 62.24 7rxn n PRO 34 Cb 0.50 -2.28 0.55 0.00 -0.02 0.00 0.00 33.50 32.25 7rxn n PRO 34 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 7rxn h ALA 35 N 1.22 2.10 -0.16 3.55 0.00 -1.99 -1.21 119.26 122.77 7rxn h ALA 35 Ca -0.48 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.42 7rxn h ALA 35 Cb 1.33 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.07 7rxn h ALA 35 CO 0.55 -0.21 0.00 -0.40 0.00 0.00 0.00 179.25 179.19 7rxn n ASP 36 N -4.46 1.83 -4.77 0.00 5.68 -1.26 -4.95 116.55 108.62 7rxn n ASP 36 Ca 0.08 -1.71 -0.38 0.00 -0.50 0.00 0.00 54.79 52.28 7rxn n ASP 36 Cb 0.38 -0.10 -0.00 0.00 -1.14 0.00 0.00 41.12 40.25 7rxn n ASP 36 CO 0.00 0.00 0.00 0.86 -1.33 0.00 0.00 177.20 176.73 7rxn s TRP 37 N -1.80 2.81 0.15 2.11 -0.00 -0.46 -5.04 118.94 116.70 7rxn s TRP 37 Ca 0.34 1.48 0.02 0.00 -0.00 0.00 0.00 56.10 57.94 7rxn s TRP 37 Cb 0.18 -3.53 -0.04 0.00 -0.00 0.00 0.00 33.47 30.08 7rxn s TRP 37 CO 0.28 -1.84 -0.04 0.14 -0.00 0.00 0.00 176.95 175.48 7rxn s VAL 38 N -1.40 0.81 0.08 5.86 -7.23 -1.26 -4.39 120.40 112.87 7rxn s VAL 38 Ca 0.62 -1.99 -0.35 0.00 -1.81 0.00 0.00 61.98 58.45 7rxn s VAL 38 Cb -0.33 -1.95 -0.14 0.00 0.56 0.00 0.00 36.38 34.51 7rxn s VAL 38 CO 0.41 -0.64 1.57 0.00 -0.31 0.00 0.00 175.10 176.14 7rxn n PRO 40 N 3.76 0.15 -0.03 0.00 -0.04 -1.26 -0.85 135.00 136.73 7rxn n PRO 40 Ca 0.19 0.17 -0.21 0.00 -0.04 0.00 0.00 63.50 63.61 7rxn n PRO 40 Cb 0.26 -1.69 -0.13 0.00 -0.04 0.00 0.00 33.50 31.89 7rxn n PRO 40 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 7rxn n VAL 41 N -1.95 1.71 0.00 0.52 0.31 -1.26 -4.74 118.33 112.92 7rxn n VAL 41 Ca 0.05 -0.61 0.00 0.00 -0.01 0.00 0.00 64.34 63.78 7rxn n VAL 41 Cb 0.36 -1.68 0.00 0.00 -0.91 0.00 0.00 33.84 31.60 7rxn n VAL 41 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 7rxn n GLY 43 N 1.07 0.73 3.77 0.00 0.00 -0.03 -5.00 105.19 105.74 7rxn n GLY 43 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 7rxn n GLY 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 7rxn s ALA 44 N -2.48 2.56 0.75 4.61 0.00 -1.26 -4.51 121.76 121.43 7rxn s ALA 44 Ca 0.00 0.60 -0.11 0.00 0.00 0.00 0.00 51.96 52.45 7rxn s ALA 44 Cb 0.00 -3.32 0.04 0.00 0.00 0.00 0.00 23.12 19.84 7rxn s ALA 44 CO 0.00 -1.09 1.08 -1.25 0.00 0.00 0.00 175.76 174.49 7rxn s PRO 45 N -3.88 2.49 0.49 0.00 0.04 -1.26 -0.92 135.00 131.96 7rxn s PRO 45 Ca 0.68 0.93 0.25 0.00 0.04 0.00 0.00 61.00 62.90 7rxn s PRO 45 Cb -0.21 -1.94 1.24 0.00 0.04 0.00 0.00 34.50 33.63 7rxn s PRO 45 CO 0.37 -1.41 1.99 0.87 0.04 0.00 0.00 177.00 178.86 7rxn h LYS 46 N -0.94 0.00 0.00 4.56 1.57 -1.96 -0.74 116.57 119.06 7rxn h LYS 46 Ca -0.45 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.33 7rxn h LYS 46 Cb 1.23 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.54 7rxn h LYS 46 CO 0.56 0.17 0.00 -1.13 -0.57 0.00 0.00 179.45 178.48 7rxn n SER 47 N -3.64 0.17 -1.13 0.86 3.41 -1.26 -1.62 113.62 110.41 7rxn n SER 47 Ca -0.01 0.55 0.08 0.00 -0.26 0.00 0.00 58.87 59.23 7rxn n SER 47 Cb 0.30 -0.58 0.29 0.00 -0.26 0.00 0.00 64.21 63.96 7rxn n SER 47 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 7rxn n GLU 48 N -1.70 3.37 -3.84 4.33 1.02 -0.28 -4.94 120.64 118.61 7rxn n GLU 48 Ca 0.02 -2.93 -0.30 0.00 -0.02 0.00 0.00 57.16 53.94 7rxn n GLU 48 Cb 0.12 -1.95 -0.04 0.00 -0.02 0.00 0.00 31.44 29.55 7rxn n GLU 48 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 7rxn s PHE 49 N -2.83 3.50 0.12 -0.32 0.40 -0.64 -0.83 117.98 117.38 7rxn s PHE 49 Ca 0.45 0.30 0.06 0.00 -0.60 0.00 0.00 56.93 57.14 7rxn s PHE 49 Cb 0.36 -1.81 -0.04 0.00 0.51 0.00 0.00 43.02 42.05 7rxn s PHE 49 CO 0.10 0.51 -0.13 -1.83 0.70 0.00 0.00 175.22 174.57 7rxn s GLU 50 N -2.81 1.00 0.28 0.44 -1.05 -0.27 -4.92 118.70 111.38 7rxn s GLU 50 Ca 0.37 -1.23 -0.30 0.00 -0.15 0.00 0.00 54.97 53.67 7rxn s GLU 50 Cb -0.12 -0.85 -0.10 0.00 -0.44 0.00 0.00 34.13 32.61 7rxn s GLU 50 CO 0.28 0.16 1.46 0.00 0.95 0.00 0.00 175.26 178.11 7rxn s ALA 51 N -2.17 3.63 0.00 -0.84 0.00 -1.26 -0.93 121.76 120.19 7rxn s ALA 51 Ca 0.08 1.40 0.00 0.00 0.00 0.00 0.00 51.96 53.44 7rxn s ALA 51 Cb -0.05 -3.57 0.00 0.00 0.00 0.00 0.00 23.12 19.50 7rxn s ALA 51 CO 0.03 -0.82 0.39 0.00 0.00 0.00 0.00 175.76 175.36