#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 8rxn s LYS 2 N 0.00 4.18 0.22 0.03 2.20 -1.26 -4.65 119.74 120.45 8rxn s LYS 2 Ca 0.00 2.40 -0.11 0.00 -0.36 0.00 0.00 55.97 57.90 8rxn s LYS 2 Cb 0.00 -3.74 -0.07 0.00 -1.51 0.00 0.00 37.83 32.51 8rxn s LYS 2 CO 0.00 -0.80 0.56 0.15 -0.36 0.00 0.00 175.35 174.89 8rxn s LYS 3 N 3.13 3.84 0.02 4.03 1.02 -1.26 -4.59 119.74 125.93 8rxn s LYS 3 Ca 0.77 0.33 0.05 0.00 0.02 0.00 0.00 55.97 57.14 8rxn s LYS 3 Cb -0.40 -2.69 -0.02 0.00 -0.52 0.00 0.00 37.83 34.20 8rxn s LYS 3 CO 0.34 0.34 -0.14 0.71 -0.92 0.00 0.00 175.35 175.68 8rxn s TYR 4 N -1.76 1.27 -0.04 3.18 1.51 -0.99 -0.95 117.35 119.57 8rxn s TYR 4 Ca 0.46 -0.31 0.06 0.00 -1.01 0.00 0.00 57.07 56.27 8rxn s TYR 4 Cb -0.12 -0.78 -0.02 0.00 -0.11 0.00 0.00 41.96 40.94 8rxn s TYR 4 CO 0.21 0.02 -0.22 0.54 -1.11 0.00 0.00 175.55 174.99 8rxn s VAL 5 N -0.66 2.39 -0.15 0.71 0.11 0.48 -0.09 120.40 123.19 8rxn s VAL 5 Ca 0.03 -0.97 -0.29 0.00 -2.93 0.00 0.00 61.98 57.82 8rxn s VAL 5 Cb -0.07 -1.88 -0.02 0.00 -1.53 0.00 0.00 36.38 32.88 8rxn s VAL 5 CO 0.01 0.58 1.34 0.00 -3.33 0.00 0.00 175.10 173.70 8rxn n THR 7 N 5.44 0.00 -0.08 0.00 -2.24 -0.35 -0.51 114.28 116.54 8rxn n THR 7 Ca 0.15 0.00 -0.09 0.00 -2.27 0.00 0.00 64.05 61.84 8rxn n THR 7 Cb 0.44 -0.52 -0.04 0.00 -2.10 0.00 0.00 70.33 68.11 8rxn n THR 7 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 8rxn h VAL 8 N 0.00 0.22 -0.00 2.28 2.07 -1.91 -3.45 116.25 115.46 8rxn h VAL 8 Ca 0.00 -1.28 0.00 0.00 0.82 0.00 0.00 66.70 66.24 8rxn h VAL 8 Cb 0.00 0.53 0.00 0.00 -1.52 0.00 0.00 31.29 30.30 8rxn h VAL 8 CO 0.00 0.07 -0.09 0.00 0.02 0.00 0.00 177.57 177.57 8rxn n GLY 10 N 0.94 0.94 3.76 0.00 0.00 0.34 -5.02 105.19 106.16 8rxn n GLY 10 Ca 0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.63 8rxn n GLY 10 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 8rxn s TYR 11 N -2.91 2.45 -0.19 1.61 5.04 -1.26 -4.61 117.35 117.48 8rxn s TYR 11 Ca 0.00 1.27 -0.03 0.00 -2.44 0.00 0.00 57.07 55.87 8rxn s TYR 11 Cb 0.00 -3.91 -0.01 0.00 0.35 0.00 0.00 41.96 38.39 8rxn s TYR 11 CO 0.00 -2.93 -0.07 -2.00 -1.34 0.00 0.00 175.55 169.22 8rxn s GLU 12 N -2.48 3.40 -0.13 4.97 2.12 -1.26 -0.35 118.70 124.97 8rxn s GLU 12 Ca 0.62 -0.63 -0.29 0.00 0.36 0.00 0.00 54.97 55.02 8rxn s GLU 12 Cb -0.43 -2.90 -0.01 0.00 0.26 0.00 0.00 34.13 31.05 8rxn s GLU 12 CO 0.56 -0.06 1.00 -0.47 -0.54 0.00 0.00 175.26 175.74 8rxn s TYR 13 N 1.10 3.48 -0.28 5.30 5.04 0.87 -4.94 117.35 127.92 8rxn s TYR 13 Ca 0.01 1.55 0.01 0.00 -2.44 0.00 0.00 57.07 56.20 8rxn s TYR 13 Cb -0.15 -3.18 0.06 0.00 0.35 0.00 0.00 41.96 39.04 8rxn s TYR 13 CO -0.01 -0.26 -0.05 0.34 -1.34 0.00 0.00 175.55 174.23 8rxn s ASP 14 N 1.11 4.64 0.52 4.32 2.15 -1.26 -2.35 116.67 125.80 8rxn s ASP 14 Ca 0.47 -1.45 0.22 0.00 0.43 0.00 0.00 52.55 52.22 8rxn s ASP 14 Cb -0.18 -1.62 1.33 0.00 -0.30 0.00 0.00 42.92 42.16 8rxn s ASP 14 CO 0.16 -0.24 2.04 1.55 -0.17 0.00 0.00 175.17 178.51 8rxn h PRO 15 N 7.84 0.03 0.00 4.34 0.13 -1.81 -0.00 132.00 142.52 8rxn h PRO 15 Ca -0.18 -0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.91 8rxn h PRO 15 Cb 1.05 -0.01 -0.00 0.00 0.13 0.00 0.00 31.00 32.16 8rxn h PRO 15 CO 0.50 0.02 -0.15 0.00 -0.23 0.00 0.00 178.00 178.13 8rxn h ALA 16 N 1.82 1.33 0.00 -0.56 0.00 -1.89 0.27 119.26 120.22 8rxn h ALA 16 Ca 0.17 -0.14 -0.25 0.00 0.00 0.00 0.00 54.91 54.69 8rxn h ALA 16 Cb 0.66 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.38 8rxn h ALA 16 CO -0.01 0.19 -2.19 0.39 0.00 0.00 0.00 179.25 177.64 8rxn n GLU 17 N -3.75 0.67 0.00 0.00 1.02 -0.18 -3.88 120.64 114.53 8rxn n GLU 17 Ca -0.02 -0.04 0.00 0.00 -0.02 0.00 0.00 57.16 57.09 8rxn n GLU 17 Cb 0.26 -1.55 0.00 0.00 -0.02 0.00 0.00 31.44 30.14 8rxn n GLU 17 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 8rxn n GLY 18 N 1.58 0.52 2.70 0.62 0.00 -0.27 -4.06 105.19 106.28 8rxn n GLY 18 Ca -0.23 -0.79 -0.08 0.00 0.00 0.00 0.00 46.02 44.92 8rxn n GLY 18 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 8rxn n ASP 19 N -1.67 -2.92 -0.27 1.61 2.03 0.06 -4.73 116.55 110.65 8rxn n ASP 19 Ca 0.00 -2.98 0.07 0.00 0.52 0.00 0.00 54.79 52.40 8rxn n ASP 19 Cb 0.00 1.50 0.22 0.00 -0.72 0.00 0.00 41.12 42.11 8rxn n ASP 19 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 8rxn h PRO 20 N 4.72 0.45 0.00 -0.67 0.11 -1.72 -0.91 132.00 133.98 8rxn h PRO 20 Ca 0.02 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.10 8rxn h PRO 20 Cb 1.06 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.07 8rxn h PRO 20 CO 0.15 0.30 0.00 -0.40 -0.21 0.00 0.00 178.00 177.84 8rxn n ASP 21 N -4.99 0.46 -1.02 -2.05 5.68 -1.26 -1.18 116.55 112.18 8rxn n ASP 21 Ca 0.16 0.64 0.08 0.00 -0.50 0.00 0.00 54.79 55.17 8rxn n ASP 21 Cb 0.46 -0.73 0.28 0.00 -1.14 0.00 0.00 41.12 39.99 8rxn n ASP 21 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 8rxn n ASN 22 N -2.04 4.08 -0.41 -1.12 3.02 -0.40 -4.96 115.26 113.43 8rxn n ASN 22 Ca 0.01 -3.03 -0.04 0.00 -0.03 0.00 0.00 54.58 51.49 8rxn n ASN 22 Cb 0.15 -0.57 -0.01 0.00 -0.61 0.00 0.00 39.78 38.75 8rxn n ASN 22 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 8rxn n GLY 23 N -0.40 0.46 3.08 7.41 0.00 -0.33 -5.02 105.19 110.40 8rxn n GLY 23 Ca 0.23 -0.79 -0.33 0.00 0.00 0.00 0.00 46.02 45.13 8rxn n GLY 23 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 8rxn s VAL 24 N -2.19 2.44 0.62 1.61 1.01 -0.87 -5.00 120.40 118.03 8rxn s VAL 24 Ca 0.00 -1.80 -0.15 0.00 0.00 0.00 0.00 61.98 60.03 8rxn s VAL 24 Cb 0.00 -2.54 -0.02 0.00 0.00 0.00 0.00 36.38 33.81 8rxn s VAL 24 CO 0.00 -0.24 1.07 -1.59 0.00 0.00 0.00 175.10 174.33 8rxn s LYS 25 N 1.08 3.15 0.35 2.72 -2.85 -1.26 -0.76 119.74 122.17 8rxn s LYS 25 Ca -0.02 1.19 -0.27 0.00 -1.00 0.00 0.00 55.97 55.87 8rxn s LYS 25 Cb -0.20 -2.01 -0.12 0.00 -2.06 0.00 0.00 37.83 33.44 8rxn s LYS 25 CO -0.05 -0.95 1.16 -2.30 0.10 0.00 0.00 175.35 173.32 8rxn n PRO 26 N -2.30 1.76 -0.19 1.78 -0.02 -1.26 -2.56 135.00 132.22 8rxn n PRO 26 Ca 0.09 0.62 0.00 0.00 -2.02 0.00 0.00 63.50 62.19 8rxn n PRO 26 Cb 0.53 -2.15 0.00 0.00 -0.02 0.00 0.00 33.50 31.86 8rxn n PRO 26 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 8rxn n GLY 27 N 0.97 0.60 3.69 -1.23 0.00 0.93 -4.91 105.19 105.24 8rxn n GLY 27 Ca 0.07 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.66 8rxn n GLY 27 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 8rxn s THR 28 N -2.40 4.76 0.71 2.61 2.01 -1.06 -4.90 115.64 117.37 8rxn s THR 28 Ca 0.00 2.03 -0.13 0.00 0.31 0.00 0.00 61.69 63.90 8rxn s THR 28 Cb 0.00 -4.31 0.02 0.00 0.01 0.00 0.00 72.50 68.23 8rxn s THR 28 CO 0.00 -0.01 1.09 -0.94 -0.69 0.00 0.00 174.62 174.08 8rxn s SER 29 N 1.12 4.93 0.34 3.53 1.04 -1.26 -4.45 113.70 118.95 8rxn s SER 29 Ca 0.48 1.87 0.04 0.00 0.48 0.00 0.00 55.95 58.82 8rxn s SER 29 Cb -0.18 -2.53 0.66 0.00 0.10 0.00 0.00 66.02 64.06 8rxn s SER 29 CO 0.17 -1.75 1.96 0.15 0.98 0.00 0.00 173.24 174.76 8rxn h PHE 30 N -0.50 0.85 0.00 5.02 3.57 -1.96 -1.14 116.94 122.78 8rxn h PHE 30 Ca -0.45 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.06 8rxn h PHE 30 Cb 1.23 -0.28 -0.00 0.00 2.79 0.00 0.00 35.95 39.69 8rxn h PHE 30 CO 0.57 0.47 -0.06 -0.44 -2.23 0.00 0.00 178.31 176.62 8rxn h ASP 31 N 0.86 0.00 -0.66 0.41 3.32 -1.96 -2.49 116.42 115.89 8rxn h ASP 31 Ca 0.31 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.36 8rxn h ASP 31 Cb 0.15 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.70 8rxn h ASP 31 CO -0.10 0.06 0.00 0.47 -1.72 0.00 0.00 179.24 177.95 8rxn n ASP 32 N -3.27 4.90 -4.78 6.45 8.00 -0.44 -4.98 116.55 122.44 8rxn n ASP 32 Ca -0.01 -2.47 -0.35 0.00 0.71 0.00 0.00 54.79 52.67 8rxn n ASP 32 Cb 0.26 -0.60 -0.00 0.00 -0.02 0.00 0.00 41.12 40.76 8rxn n ASP 32 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 8rxn s LEU 33 N -1.90 3.73 0.54 0.64 1.43 -0.94 -4.92 118.68 117.27 8rxn s LEU 33 Ca 0.52 2.11 -0.20 0.00 -1.03 0.00 0.00 54.13 55.53 8rxn s LEU 33 Cb 0.34 -4.57 -0.07 0.00 0.03 0.00 0.00 46.19 41.92 8rxn s LEU 33 CO 0.25 -1.17 0.93 -2.65 0.23 0.00 0.00 176.35 173.94 8rxn n PRO 34 N -1.34 1.00 0.21 1.29 -0.02 -1.26 -4.87 135.00 130.02 8rxn n PRO 34 Ca 0.11 0.38 0.11 0.00 -2.02 0.00 0.00 63.50 62.07 8rxn n PRO 34 Cb 0.51 -2.08 0.66 0.00 -0.02 0.00 0.00 33.50 32.57 8rxn n PRO 34 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 8rxn h ALA 35 N 0.79 2.08 -0.48 3.55 0.00 -1.99 -1.21 119.26 122.00 8rxn h ALA 35 Ca -0.47 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.44 8rxn h ALA 35 Cb 1.36 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.16 8rxn h ALA 35 CO 0.52 -0.12 0.00 -0.40 0.00 0.00 0.00 179.25 179.25 8rxn n ASP 36 N -4.49 3.10 -4.77 0.00 5.75 -1.26 -4.96 116.55 109.93 8rxn n ASP 36 Ca -0.01 -1.96 -0.39 0.00 -0.01 0.00 0.00 54.79 52.42 8rxn n ASP 36 Cb 0.19 -0.32 -0.02 0.00 -1.03 0.00 0.00 41.12 39.94 8rxn n ASP 36 CO 0.00 0.00 0.00 0.86 -0.11 0.00 0.00 177.20 177.95 8rxn s TRP 37 N -1.36 3.09 0.23 2.11 -0.00 -0.46 -5.03 118.94 117.52 8rxn s TRP 37 Ca 0.39 1.53 0.03 0.00 -0.00 0.00 0.00 56.10 58.05 8rxn s TRP 37 Cb 0.21 -3.46 -0.05 0.00 -0.00 0.00 0.00 33.47 30.17 8rxn s TRP 37 CO 0.29 -1.41 0.00 0.14 -0.00 0.00 0.00 176.95 175.97 8rxn s VAL 38 N -1.32 1.01 0.12 5.86 -7.23 -1.26 -4.36 120.40 113.22 8rxn s VAL 38 Ca 0.54 -2.03 -0.33 0.00 -1.81 0.00 0.00 61.98 58.35 8rxn s VAL 38 Cb -0.33 -2.35 -0.13 0.00 0.56 0.00 0.00 36.38 34.13 8rxn s VAL 38 CO 0.42 -0.31 1.70 0.00 -0.31 0.00 0.00 175.10 176.60 8rxn h PRO 40 N 7.05 0.00 0.15 0.00 0.13 -1.96 0.62 132.00 137.98 8rxn h PRO 40 Ca -0.45 0.00 -0.34 0.00 -0.87 0.00 0.00 66.00 64.33 8rxn h PRO 40 Cb 1.24 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.37 8rxn h PRO 40 CO 0.92 0.00 -1.77 0.28 -0.23 0.00 0.00 178.00 177.19 8rxn h VAL 41 N 0.00 0.89 0.00 1.56 2.07 -1.99 -3.43 116.25 115.34 8rxn h VAL 41 Ca 0.00 -2.53 0.00 0.00 0.82 0.00 0.00 66.70 64.99 8rxn h VAL 41 Cb 0.62 2.68 0.00 0.00 -1.52 0.00 0.00 31.29 33.07 8rxn h VAL 41 CO 0.00 0.84 -0.15 0.00 0.02 0.00 0.00 177.57 178.29 8rxn n GLY 43 N 0.89 0.84 3.76 0.00 0.00 0.20 -5.00 105.19 105.89 8rxn n GLY 43 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 8rxn n GLY 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 8rxn s ALA 44 N -2.77 2.45 0.72 4.61 0.00 -1.26 -4.48 121.76 121.02 8rxn s ALA 44 Ca 0.00 0.72 -0.11 0.00 0.00 0.00 0.00 51.96 52.57 8rxn s ALA 44 Cb 0.00 -3.37 0.02 0.00 0.00 0.00 0.00 23.12 19.77 8rxn s ALA 44 CO 0.00 -1.28 1.07 -1.25 0.00 0.00 0.00 175.76 174.29 8rxn s PRO 45 N -3.81 2.75 0.50 0.00 0.04 -1.26 -0.92 135.00 132.31 8rxn s PRO 45 Ca 0.71 0.85 0.18 0.00 0.04 0.00 0.00 61.00 62.78 8rxn s PRO 45 Cb -0.24 -1.98 1.25 0.00 0.04 0.00 0.00 34.50 33.57 8rxn s PRO 45 CO 0.38 -1.20 2.09 0.87 0.04 0.00 0.00 177.00 179.18 8rxn h LYS 46 N -0.79 0.00 0.00 4.56 1.57 -1.95 -1.59 116.57 118.37 8rxn h LYS 46 Ca -0.45 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.33 8rxn h LYS 46 Cb 1.23 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.54 8rxn h LYS 46 CO 0.58 0.09 0.00 0.66 -0.57 0.00 0.00 179.45 180.21 8rxn h SER 47 N 0.00 0.00 -0.52 0.86 4.64 -1.96 -1.66 113.55 114.90 8rxn h SER 47 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 8rxn h SER 47 Cb 0.16 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.25 8rxn h SER 47 CO 0.01 0.00 0.00 -0.62 -0.87 0.00 0.00 176.83 175.35 8rxn n GLU 48 N -2.36 3.74 -3.85 4.77 1.02 -0.60 -4.94 120.64 118.42 8rxn n GLU 48 Ca -0.01 -2.85 -0.29 0.00 -0.02 0.00 0.00 57.16 53.99 8rxn n GLU 48 Cb 0.09 -1.90 -0.04 0.00 -0.02 0.00 0.00 31.44 29.58 8rxn n GLU 48 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 8rxn s PHE 49 N -2.15 3.50 0.11 -0.32 0.40 -0.63 -1.22 117.98 117.67 8rxn s PHE 49 Ca 0.47 0.26 0.05 0.00 -0.60 0.00 0.00 56.93 57.11 8rxn s PHE 49 Cb 0.33 -1.77 -0.04 0.00 0.51 0.00 0.00 43.02 42.05 8rxn s PHE 49 CO 0.19 0.50 -0.12 -1.83 0.70 0.00 0.00 175.22 174.67 8rxn s GLU 50 N -2.93 0.95 0.30 0.44 -1.05 -0.26 -4.91 118.70 111.24 8rxn s GLU 50 Ca 0.36 -1.24 -0.29 0.00 -0.15 0.00 0.00 54.97 53.65 8rxn s GLU 50 Cb -0.12 -0.69 -0.11 0.00 -0.44 0.00 0.00 34.13 32.78 8rxn s GLU 50 CO 0.28 0.11 1.48 0.00 0.95 0.00 0.00 175.26 178.08 8rxn s ALA 51 N -2.47 3.63 0.00 -0.84 0.00 -1.26 -0.38 121.76 120.44 8rxn s ALA 51 Ca 0.09 1.45 0.00 0.00 0.00 0.00 0.00 51.96 53.50 8rxn s ALA 51 Cb -0.03 -3.59 0.00 0.00 0.00 0.00 0.00 23.12 19.51 8rxn s ALA 51 CO 0.01 -0.88 0.19 0.00 0.00 0.00 0.00 175.76 175.09