#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i6g s ASP 2 N 0.00 2.68 0.00 -5.58 1.01 -1.26 -0.52 116.67 113.00 1i6g s ASP 2 Ca 0.00 -0.74 0.00 0.00 0.71 0.00 0.00 52.55 52.52 1i6g s ASP 2 Cb 0.00 -0.16 0.00 0.00 1.01 0.00 0.00 42.92 43.77 1i6g s ASP 2 CO 0.00 0.05 0.00 0.61 0.21 0.00 0.00 175.17 176.04 1i6g n GLY 3 N 0.87 -1.12 3.72 0.21 0.00 -1.04 -5.00 105.19 102.83 1i6g n GLY 3 Ca -0.18 -0.88 -0.35 0.00 0.00 0.00 0.00 46.02 44.61 1i6g n GLY 3 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1i6g s TYR 4 N -3.00 3.37 0.30 1.61 1.51 -1.26 -1.69 117.35 118.18 1i6g s TYR 4 Ca 0.00 0.26 -0.29 0.00 -1.01 0.00 0.00 57.07 56.03 1i6g s TYR 4 Cb 0.00 -2.06 -0.10 0.00 -0.11 0.00 0.00 41.96 39.69 1i6g s TYR 4 CO 0.00 0.34 1.11 -1.25 -1.11 0.00 0.00 175.55 174.63 1i6g s PRO 5 N 0.01 4.56 0.38 -1.71 0.04 -1.26 -1.04 135.00 135.99 1i6g s PRO 5 Ca 0.08 1.80 0.06 0.00 0.04 0.00 0.00 61.00 62.98 1i6g s PRO 5 Cb -0.12 -3.11 -0.07 0.00 0.04 0.00 0.00 34.50 31.24 1i6g s PRO 5 CO 0.00 0.14 0.03 0.14 0.04 0.00 0.00 177.00 177.36 1i6g s VAL 6 N -1.21 1.64 0.67 -0.36 -7.23 -0.88 -1.77 120.40 111.27 1i6g s VAL 6 Ca 0.46 -2.00 0.04 0.00 -1.81 0.00 0.00 61.98 58.67 1i6g s VAL 6 Cb -0.31 -2.89 0.12 0.00 0.56 0.00 0.00 36.38 33.85 1i6g s VAL 6 CO 0.40 0.00 0.93 1.51 -0.31 0.00 0.00 175.10 177.63 1i6g s ASP 7 N -3.62 4.59 0.62 4.85 1.47 -0.92 -4.84 116.67 118.82 1i6g s ASP 7 Ca 0.35 -0.63 0.26 0.00 1.18 0.00 0.00 52.55 53.71 1i6g s ASP 7 Cb 0.09 0.23 1.40 0.00 -0.34 0.00 0.00 42.92 44.30 1i6g s ASP 7 CO 0.17 -1.71 1.77 0.77 0.68 0.00 0.00 175.17 176.86 1i6g h SER 8 N -0.27 0.00 0.92 2.11 4.64 -1.99 0.47 113.55 119.43 1i6g h SER 8 Ca -0.33 0.00 -0.22 0.00 -0.47 0.00 0.00 61.79 60.78 1i6g h SER 8 Cb 1.27 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.34 1i6g h SER 8 CO 0.39 0.00 -1.02 0.50 -0.87 0.00 0.00 176.83 175.83 1i6g h LYS 9 N 0.00 0.05 0.00 4.77 1.63 -2.03 -3.47 116.57 117.52 1i6g h LYS 9 Ca 0.00 -0.08 0.00 0.00 -0.85 0.00 0.00 60.65 59.72 1i6g h LYS 9 Cb 0.75 0.03 0.00 0.00 -0.60 0.00 0.00 32.23 32.41 1i6g h LYS 9 CO 0.00 1.02 0.00 0.41 -3.45 0.00 0.00 179.45 177.43 1i6g n GLY 10 N 1.33 1.11 3.91 5.01 0.00 0.16 -4.89 105.19 111.83 1i6g n GLY 10 Ca -0.02 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.73 1i6g n GLY 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i6g s LYS 12 N -3.53 3.16 -0.69 0.00 1.02 -1.26 -2.16 119.74 116.28 1i6g s LYS 12 Ca 0.42 1.77 -0.22 0.00 0.02 0.00 0.00 55.97 57.96 1i6g s LYS 12 Cb -0.11 -2.00 0.08 0.00 -0.52 0.00 0.00 37.83 35.29 1i6g s LYS 12 CO 0.30 -1.04 0.96 -1.17 -0.92 0.00 0.00 175.35 173.47 1i6g s LEU 13 N -3.89 4.60 0.24 3.17 2.96 -0.73 -4.83 118.68 120.20 1i6g s LEU 13 Ca 0.75 -1.19 -0.28 0.00 -0.22 0.00 0.00 54.13 53.19 1i6g s LEU 13 Cb -0.28 -2.40 -0.16 0.00 0.50 0.00 0.00 46.19 43.84 1i6g s LEU 13 CO 0.32 -1.35 0.69 -1.20 -1.32 0.00 0.00 176.35 173.48 1i6g n SER 14 N 7.38 -0.36 -4.07 3.68 7.64 -1.26 -0.97 113.62 125.66 1i6g n SER 14 Ca -0.01 1.14 -0.23 0.00 1.01 0.00 0.00 58.87 60.79 1i6g n SER 14 Cb 0.46 -1.07 -0.16 0.00 -1.01 0.00 0.00 64.21 62.43 1i6g n SER 14 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1i6g n VAL 16 N 3.08 0.00 -3.75 0.00 3.14 -1.26 -4.35 118.33 115.20 1i6g n VAL 16 Ca -0.17 -0.41 -0.12 0.00 -2.96 0.00 0.00 64.34 60.68 1i6g n VAL 16 Cb 0.54 1.05 -0.08 0.00 -1.06 0.00 0.00 33.84 34.30 1i6g n VAL 16 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1i6g s ALA 17 N -0.58 -0.75 0.07 1.55 0.00 -1.26 -5.06 121.76 115.74 1i6g s ALA 17 Ca 0.00 0.14 -0.16 0.00 0.00 0.00 0.00 51.96 51.94 1i6g s ALA 17 Cb 0.00 0.24 -0.13 0.00 0.00 0.00 0.00 23.12 23.23 1i6g s ALA 17 CO 0.00 -0.37 1.34 -0.91 0.00 0.00 0.00 175.76 175.82 1i6g h ASN 18 N 3.40 0.67 -0.73 0.00 2.35 -1.94 -3.19 115.58 116.14 1i6g h ASN 18 Ca -0.31 -0.54 0.16 0.00 -0.55 0.00 0.00 56.30 55.06 1i6g h ASN 18 Cb 1.19 -0.19 -0.11 0.00 0.05 0.00 0.00 38.32 39.26 1i6g h ASN 18 CO 0.44 1.08 0.18 -0.55 -1.65 0.00 0.00 177.43 176.92 1i6g h ASN 19 N 0.28 0.02 -0.57 5.81 -1.07 -1.97 0.40 115.58 118.48 1i6g h ASN 19 Ca 0.01 0.14 0.08 0.00 0.07 0.00 0.00 56.30 56.60 1i6g h ASN 19 Cb 0.96 0.19 -0.06 0.00 -2.07 0.00 0.00 38.32 37.33 1i6g h ASN 19 CO 0.08 -0.03 0.24 0.22 0.07 0.00 0.00 177.43 178.01 1i6g h TYR 20 N 0.27 0.42 0.00 4.14 3.20 -1.97 -1.24 116.97 121.79 1i6g h TYR 20 Ca 0.41 0.03 -0.13 0.00 3.14 0.00 0.00 58.73 62.17 1i6g h TYR 20 Cb 0.68 -0.10 -0.02 0.00 1.54 0.00 0.00 36.73 38.83 1i6g h TYR 20 CO -0.26 0.15 -0.62 0.00 -1.64 0.00 0.00 178.16 175.79 1i6g h ASP 22 N 0.00 0.00 -0.00 0.00 3.58 0.91 0.15 116.42 121.06 1i6g h ASP 22 Ca -0.01 0.03 -0.00 0.00 0.42 0.00 0.00 57.03 57.47 1i6g h ASP 22 Cb 1.20 0.04 0.00 0.00 1.72 0.00 0.00 39.33 42.29 1i6g h ASP 22 CO 0.08 0.03 -0.01 -1.13 -2.88 0.00 0.00 179.24 175.33 1i6g h ASN 23 N 0.11 0.01 -0.14 2.28 -1.24 -1.52 -2.50 115.58 112.58 1i6g h ASN 23 Ca 0.09 -0.77 0.05 0.00 0.71 0.00 0.00 56.30 56.38 1i6g h ASN 23 Cb 0.09 -0.00 -0.05 0.00 0.73 0.00 0.00 38.32 39.08 1i6g h ASN 23 CO -0.12 0.77 -0.20 -0.61 -1.29 0.00 0.00 177.43 175.98 1i6g h GLN 24 N -0.76 -0.24 -0.60 6.67 5.75 -1.44 0.15 115.11 124.64 1i6g h GLN 24 Ca -0.00 0.02 0.06 0.00 -0.15 0.00 0.00 58.65 58.57 1i6g h GLN 24 Cb 0.77 0.05 -0.05 0.00 1.07 0.00 0.00 27.48 29.33 1i6g h GLN 24 CO 0.00 -0.16 0.31 0.00 -2.65 0.00 0.00 178.83 176.33 1i6g h LYS 26 N 0.58 0.55 -0.05 0.00 3.64 -0.78 0.16 116.57 120.67 1i6g h LYS 26 Ca 0.27 -0.03 0.01 0.00 -1.27 0.00 0.00 60.65 59.63 1i6g h LYS 26 Cb 0.18 -0.12 -0.00 0.00 -0.41 0.00 0.00 32.23 31.88 1i6g h LYS 26 CO -0.18 0.36 0.04 0.52 -2.27 0.00 0.00 179.45 177.91 1i6g h MET 27 N 0.56 0.00 -0.47 1.90 2.86 0.44 0.26 114.93 120.48 1i6g h MET 27 Ca 0.28 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.92 1i6g h MET 27 Cb 0.22 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.88 1i6g h MET 27 CO -0.20 0.00 0.00 1.63 1.06 0.00 0.00 176.91 179.40 1i6g n LYS 28 N -4.45 2.07 -2.97 1.72 4.76 0.46 -4.90 118.16 114.85 1i6g n LYS 28 Ca -0.02 -1.30 -0.12 0.00 -2.87 0.00 0.00 58.31 54.00 1i6g n LYS 28 Cb 0.14 -1.43 0.06 0.00 -1.84 0.00 0.00 35.03 31.96 1i6g n LYS 28 CO 0.00 0.00 0.00 1.17 -1.37 0.00 0.00 177.40 177.20 1i6g n LYS 29 N 0.45 -3.34 -4.44 1.97 4.81 0.90 -4.12 118.16 114.39 1i6g n LYS 29 Ca 0.12 0.66 -0.22 0.00 -0.87 0.00 0.00 58.31 58.00 1i6g n LYS 29 Cb 0.40 -4.96 -0.10 0.00 0.02 0.00 0.00 35.03 30.39 1i6g n LYS 29 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1i6g s ALA 30 N -3.29 2.46 -0.07 3.14 0.00 -0.62 -3.91 121.76 119.46 1i6g s ALA 30 Ca 0.18 -1.90 0.04 0.00 0.00 0.00 0.00 51.96 50.29 1i6g s ALA 30 Cb -0.02 0.04 -0.08 0.00 0.00 0.00 0.00 23.12 23.06 1i6g s ALA 30 CO 0.56 0.02 -0.01 -1.13 0.00 0.00 0.00 175.76 175.21 1i6g n SER 31 N -0.60 3.32 -4.12 0.00 3.41 0.14 -4.36 113.62 111.41 1i6g n SER 31 Ca -0.06 -0.02 -0.39 0.00 -0.26 0.00 0.00 58.87 58.14 1i6g n SER 31 Cb 0.62 0.40 -0.03 0.00 -0.26 0.00 0.00 64.21 64.95 1i6g n SER 31 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1i6g n GLY 32 N 2.75 4.35 3.53 5.00 0.00 -0.91 -4.87 105.19 115.04 1i6g n GLY 32 Ca -0.12 -2.62 -0.38 0.00 0.00 0.00 0.00 46.02 42.90 1i6g n GLY 32 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1i6g s GLY 33 N -0.08 1.89 0.27 -0.02 0.00 -1.26 -0.54 107.32 107.58 1i6g s GLY 33 Ca 0.30 -1.18 -0.11 0.00 0.00 0.00 0.00 44.72 43.73 1i6g s GLY 33 CO -0.07 0.65 0.50 -2.38 0.00 0.00 0.00 173.10 171.80 1i6g s HIS 34 N 1.70 0.46 -0.16 1.90 -3.43 -0.65 -3.87 115.29 111.23 1i6g s HIS 34 Ca 0.06 -0.82 -0.08 0.00 -0.80 0.00 0.00 55.06 53.43 1i6g s HIS 34 Cb -0.16 0.19 -0.04 0.00 -1.43 0.00 0.00 32.58 31.13 1i6g s HIS 34 CO 0.09 -1.05 0.10 0.00 -2.00 0.00 0.00 174.74 171.87 1i6g s TYR 36 N -0.09 -0.61 -1.48 0.00 6.14 -0.16 -4.92 117.35 116.23 1i6g s TYR 36 Ca 0.09 1.13 -0.04 0.00 0.64 0.00 0.00 57.07 58.89 1i6g s TYR 36 Cb -0.12 0.34 0.02 0.00 0.42 0.00 0.00 41.96 42.62 1i6g s TYR 36 CO 0.00 -0.53 0.38 0.00 0.64 0.00 0.00 175.55 176.04 1i6g n ALA 37 N 1.28 -0.90 -1.20 3.97 0.00 -1.26 -0.59 120.51 121.81 1i6g n ALA 37 Ca -0.18 0.20 -0.07 0.00 0.00 0.00 0.00 53.44 53.39 1i6g n ALA 37 Cb 0.57 -3.02 -0.03 0.00 0.00 0.00 0.00 19.45 16.97 1i6g n ALA 37 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1i6g n MET 38 N -3.61 -1.32 -4.03 0.00 2.81 -1.26 -4.95 117.12 104.75 1i6g n MET 38 Ca -0.12 0.67 -0.08 0.00 -1.81 0.00 0.00 57.70 56.35 1i6g n MET 38 Cb 0.62 -4.81 -0.10 0.00 -0.71 0.00 0.00 33.22 28.22 1i6g n MET 38 CO 0.00 0.00 0.00 -1.12 1.51 0.00 0.00 175.97 176.36 1i6g s SER 39 N -2.36 0.36 0.62 7.83 0.01 0.24 -2.26 113.70 118.14 1i6g s SER 39 Ca 0.00 -0.77 -0.12 0.00 1.31 0.00 0.00 55.95 56.38 1i6g s SER 39 Cb 0.00 0.17 -0.04 0.00 0.21 0.00 0.00 66.02 66.37 1i6g s SER 39 CO 0.00 -0.49 1.03 0.00 0.41 0.00 0.00 173.24 174.19 1i6g s TYR 41 N -3.09 -0.83 0.04 0.00 5.04 -0.70 -3.99 117.35 113.81 1i6g s TYR 41 Ca 0.56 1.63 0.06 0.00 -2.44 0.00 0.00 57.07 56.87 1i6g s TYR 41 Cb -0.11 0.40 -0.03 0.00 0.35 0.00 0.00 41.96 42.56 1i6g s TYR 41 CO 0.52 -0.46 -0.12 0.00 -1.34 0.00 0.00 175.55 174.14 1i6g s GLU 43 N -1.60 3.29 0.00 0.00 2.12 0.29 -2.49 118.70 120.32 1i6g s GLU 43 Ca 0.17 -0.67 0.00 0.00 0.36 0.00 0.00 54.97 54.83 1i6g s GLU 43 Cb -0.11 -2.92 0.00 0.00 0.26 0.00 0.00 34.13 31.36 1i6g s GLU 43 CO 0.08 -0.20 0.00 0.41 -0.54 0.00 0.00 175.26 175.01 1i6g n GLY 44 N 4.76 1.06 3.22 -1.50 0.00 -0.25 0.23 105.19 112.71 1i6g n GLY 44 Ca -0.19 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.49 1i6g n GLY 44 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1i6g n LEU 45 N 0.00 -2.42 -4.78 0.99 4.77 0.32 -4.37 117.00 111.51 1i6g n LEU 45 Ca 0.00 -0.01 -0.32 0.00 -0.03 0.00 0.00 56.01 55.65 1i6g n LEU 45 Cb 0.00 -0.88 0.05 0.00 -2.33 0.00 0.00 43.42 40.26 1i6g n LEU 45 CO 0.00 -3.26 0.73 -2.16 -1.33 0.00 0.00 177.39 171.37 1i6g s PRO 46 N -3.05 2.74 0.33 3.23 0.04 -1.26 -2.58 135.00 134.45 1i6g s PRO 46 Ca 0.51 1.30 0.03 0.00 0.04 0.00 0.00 61.00 62.87 1i6g s PRO 46 Cb -0.09 -1.95 0.63 0.00 0.04 0.00 0.00 34.50 33.13 1i6g s PRO 46 CO 0.68 -1.28 1.93 1.49 0.04 0.00 0.00 177.00 179.85 1i6g h GLU 47 N -0.23 0.87 -0.67 4.56 4.81 -1.95 -1.51 114.58 120.47 1i6g h GLU 47 Ca -0.46 -0.05 -0.21 0.00 -0.13 0.00 0.00 59.36 58.51 1i6g h GLU 47 Cb 1.24 -0.20 -0.13 0.00 0.63 0.00 0.00 28.75 30.30 1i6g h GLU 47 CO 0.54 0.58 0.24 0.27 -0.73 0.00 0.00 179.01 179.90 1i6g n ASN 48 N -4.48 4.48 -4.66 1.04 6.94 -1.26 -5.00 115.26 112.31 1i6g n ASN 48 Ca 0.12 -3.28 -0.33 0.00 -0.02 0.00 0.00 54.58 51.07 1i6g n ASN 48 Cb 0.21 -0.72 0.13 0.00 -2.36 0.00 0.00 39.78 37.04 1i6g n ASN 48 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1i6g n ALA 49 N -0.34 -0.45 -3.25 -2.53 0.00 -0.57 -4.93 120.51 108.44 1i6g n ALA 49 Ca 0.40 -0.40 -0.46 0.00 0.00 0.00 0.00 53.44 52.98 1i6g n ALA 49 Cb 1.33 -2.19 -0.03 0.00 0.00 0.00 0.00 19.45 18.56 1i6g n ALA 49 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1i6g s LYS 50 N -4.14 3.34 0.31 0.00 2.47 -1.26 -5.01 119.74 115.44 1i6g s LYS 50 Ca 0.70 -2.00 0.04 0.00 -1.56 0.00 0.00 55.97 53.15 1i6g s LYS 50 Cb -0.27 -4.41 -0.06 0.00 -1.46 0.00 0.00 37.83 31.62 1i6g s LYS 50 CO 0.54 -1.38 0.05 0.14 0.16 0.00 0.00 175.35 174.85 1i6g s VAL 51 N 1.20 1.19 0.51 4.02 -7.23 -1.25 -2.07 120.40 116.76 1i6g s VAL 51 Ca 0.14 -2.01 -0.14 0.00 -1.81 0.00 0.00 61.98 58.16 1i6g s VAL 51 Cb -0.18 -2.73 -0.07 0.00 0.56 0.00 0.00 36.38 33.97 1i6g s VAL 51 CO -0.03 -0.05 0.94 -0.55 -0.31 0.00 0.00 175.10 175.10 1i6g s SER 52 N -3.46 6.50 0.00 4.85 0.15 -0.20 -4.89 113.70 116.64 1i6g s SER 52 Ca 0.35 1.42 0.14 0.00 0.70 0.00 0.00 55.95 58.56 1i6g s SER 52 Cb 0.08 -2.45 0.29 0.00 -1.71 0.00 0.00 66.02 62.24 1i6g s SER 52 CO 0.15 -0.61 1.20 -0.90 1.20 0.00 0.00 173.24 174.27 1i6g n ASP 53 N -1.81 2.84 -3.81 5.45 5.75 -1.26 -4.31 116.55 119.40 1i6g n ASP 53 Ca 0.05 -1.86 -0.12 0.00 -0.01 0.00 0.00 54.79 52.85 1i6g n ASP 53 Cb 0.54 -0.19 -0.10 0.00 -1.03 0.00 0.00 41.12 40.34 1i6g n ASP 53 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 1i6g s SER 54 N -1.07 -0.12 0.47 -1.12 1.04 -1.26 -5.01 113.70 106.63 1i6g s SER 54 Ca 0.25 0.05 0.32 0.00 0.48 0.00 0.00 55.95 57.05 1i6g s SER 54 Cb 0.14 0.31 1.57 0.00 0.10 0.00 0.00 66.02 68.14 1i6g s SER 54 CO 0.19 -0.34 1.96 0.00 0.98 0.00 0.00 173.24 176.03 1i6g h ALA 55 N 4.40 1.00 -1.57 5.32 0.00 -2.03 -3.43 119.26 122.95 1i6g h ALA 55 Ca -0.29 0.00 -0.46 0.00 0.00 0.00 0.00 54.91 54.16 1i6g h ALA 55 Cb 1.19 0.00 0.11 0.00 0.00 0.00 0.00 17.79 19.09 1i6g h ALA 55 CO 0.39 0.00 0.22 0.99 0.00 0.00 0.00 179.25 180.85 1i6g s THR 56 N -3.71 2.08 -0.95 0.00 2.01 -1.26 -4.98 115.64 108.83 1i6g s THR 56 Ca -0.01 -0.39 -0.23 0.00 0.31 0.00 0.00 61.69 61.37 1i6g s THR 56 Cb 0.09 -2.69 0.07 0.00 0.01 0.00 0.00 72.50 69.98 1i6g s THR 56 CO 0.38 0.00 1.34 0.54 -0.69 0.00 0.00 174.62 176.18 1i6g s ASN 57 N -4.79 6.47 -1.11 3.53 4.22 -1.26 -4.88 114.94 117.11 1i6g s ASN 57 Ca 0.69 -1.44 -0.02 0.00 -2.14 0.00 0.00 52.86 49.95 1i6g s ASN 57 Cb -0.05 -2.52 0.27 0.00 1.28 0.00 0.00 41.25 40.23 1i6g s ASN 57 CO 0.47 -1.45 1.95 0.00 -2.04 0.00 0.00 177.10 176.03 1i6g n ILE 58 N 6.48 5.84 -2.70 0.54 0.13 -1.26 -4.88 119.36 123.51 1i6g n ILE 58 Ca 0.26 -5.55 -0.43 0.00 -1.10 0.00 0.00 62.75 55.92 1i6g n ILE 58 Cb 0.50 -1.72 0.00 0.00 -0.84 0.00 0.00 39.64 37.58 1i6g n ILE 58 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35