#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 4.43 0.00 -5.58 1.01 -1.26 0.56 116.67 115.83 1i6g s ASP 2 Ca 0.00 -0.46 0.00 0.00 0.71 0.00 0.00 52.55 52.80 1i6g s ASP 2 Cb 0.00 -0.83 0.00 0.00 1.01 0.00 0.00 42.92 43.10 1i6g s ASP 2 CO 0.00 0.13 0.00 0.61 0.21 0.00 0.00 175.17 176.12 1i6g n GLY 3 N 0.25 -1.08 3.46 0.21 0.00 -1.00 -4.96 105.19 102.08 1i6g n GLY 3 Ca -0.12 -1.10 -0.34 0.00 0.00 0.00 0.00 46.02 44.46 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 3.03 0.30 1.61 2.02 -1.26 -2.42 117.35 117.63 1i6g s TYR 4 Ca 0.00 -0.41 -0.29 0.00 -0.37 0.00 0.00 57.07 56.00 1i6g s TYR 4 Cb 0.00 -2.02 -0.10 0.00 -0.40 0.00 0.00 41.96 39.44 1i6g s TYR 4 CO 0.00 -0.16 1.13 -1.25 -1.57 0.00 0.00 175.55 173.71 1i6g s PRO 5 N 0.72 4.56 0.51 -1.71 0.04 -1.26 -0.84 135.00 137.03 1i6g s PRO 5 Ca -0.01 1.87 0.06 0.00 0.04 0.00 0.00 61.00 62.96 1i6g s PRO 5 Cb -0.14 -3.14 0.06 0.00 0.04 0.00 0.00 34.50 31.32 1i6g s PRO 5 CO 0.02 0.12 0.53 1.33 0.04 0.00 0.00 177.00 179.04 1i6g n VAL 6 N 1.06 0.00 -2.98 -0.36 0.24 -0.93 -2.44 118.33 112.93 1i6g n VAL 6 Ca -0.01 -1.90 0.00 0.00 -2.04 0.00 0.00 64.34 60.40 1i6g n VAL 6 Cb 0.44 -0.27 0.00 0.00 -1.47 0.00 0.00 33.84 32.54 1i6g n VAL 6 CO 0.00 0.00 0.00 -0.90 -2.14 0.00 0.00 176.83 173.79 1i6g n ASP 7 N -2.07 1.00 0.00 -1.34 5.75 -0.14 -4.82 116.55 114.92 1i6g n ASP 7 Ca 0.05 -0.48 0.06 0.00 -0.01 0.00 0.00 54.79 54.41 1i6g n ASP 7 Cb 0.56 0.00 0.31 0.00 -1.03 0.00 0.00 41.12 40.96 1i6g n ASP 7 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 1i6g n SER 8 N -0.96 0.00 -0.00 -1.12 3.41 -1.26 -2.10 113.62 111.59 1i6g n SER 8 Ca 0.00 0.02 0.04 0.00 -0.26 0.00 0.00 58.87 58.67 1i6g n SER 8 Cb 0.00 -0.23 -0.05 0.00 -0.26 0.00 0.00 64.21 63.67 1i6g n SER 8 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 1i6g n LYS 9 N -1.23 2.95 0.00 4.33 3.00 -1.26 -4.99 118.16 120.96 1i6g n LYS 9 Ca 0.06 -0.03 0.00 0.00 -0.00 0.00 0.00 58.31 58.35 1i6g n LYS 9 Cb 0.08 -0.97 0.00 0.00 0.00 0.00 0.00 35.03 34.14 1i6g n LYS 9 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1i6g n GLY 10 N 1.51 0.61 3.83 3.14 0.00 -0.89 -4.85 105.19 108.54 1i6g n GLY 10 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.70 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 -3.70 4.44 -0.51 0.00 1.02 -1.26 -0.96 119.74 118.77 1i6g s LYS 12 Ca 0.60 1.38 -0.29 0.00 0.02 0.00 0.00 55.97 57.69 1i6g s LYS 12 Cb -0.10 -2.69 0.03 0.00 -0.52 0.00 0.00 37.83 34.55 1i6g s LYS 12 CO 0.24 0.14 1.16 -1.17 -0.92 0.00 0.00 175.35 174.79 1i6g s LEU 13 N -2.28 3.58 0.97 3.17 2.96 -1.02 -4.90 118.68 121.17 1i6g s LEU 13 Ca 0.53 0.37 -0.11 0.00 -0.22 0.00 0.00 54.13 54.69 1i6g s LEU 13 Cb -0.19 -3.45 0.16 0.00 0.50 0.00 0.00 46.19 43.21 1i6g s LEU 13 CO 0.25 -1.32 0.98 -1.20 -1.32 0.00 0.00 176.35 173.73 1i6g n SER 14 N 8.03 -0.45 -3.80 3.68 7.64 -1.26 0.11 113.62 127.57 1i6g n SER 14 Ca 0.11 0.29 -0.12 0.00 1.01 0.00 0.00 58.87 60.16 1i6g n SER 14 Cb 0.49 -1.39 -0.11 0.00 -1.01 0.00 0.00 64.21 62.20 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 2.35 0.05 -4.61 0.00 3.14 -1.26 -4.54 118.33 113.47 1i6g n VAL 16 Ca -0.16 -0.05 -0.27 0.00 -2.96 0.00 0.00 64.34 60.90 1i6g n VAL 16 Cb 0.57 -0.28 -0.10 0.00 -1.06 0.00 0.00 33.84 32.97 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 -2.06 3.14 -0.10 1.55 0.00 -1.26 -5.06 121.76 117.97 1i6g s ALA 17 Ca -0.01 -1.96 -0.01 0.00 0.00 0.00 0.00 51.96 49.98 1i6g s ALA 17 Cb 0.01 0.26 -0.25 0.00 0.00 0.00 0.00 23.12 23.13 1i6g s ALA 17 CO 0.06 -0.15 0.45 0.09 0.00 0.00 0.00 175.76 176.21 1i6g n ASN 18 N -0.97 1.75 -0.11 0.00 3.02 -1.26 -4.22 115.26 113.48 1i6g n ASN 18 Ca -0.06 0.27 -0.11 0.00 -0.03 0.00 0.00 54.58 54.65 1i6g n ASN 18 Cb 0.67 -0.62 -0.03 0.00 -0.61 0.00 0.00 39.78 39.19 1i6g n ASN 18 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1i6g h ASN 19 N 0.05 0.52 -0.91 6.41 7.08 -1.97 -1.28 115.58 125.48 1i6g h ASN 19 Ca -0.39 -0.27 0.26 0.00 -3.08 0.00 0.00 56.30 52.82 1i6g h ASN 19 Cb 2.03 -0.14 -0.15 0.00 -2.08 0.00 0.00 38.32 37.99 1i6g h ASN 19 CO 0.09 0.66 0.31 0.22 -2.08 0.00 0.00 177.43 176.63 1i6g h TYR 20 N 0.36 0.49 0.01 4.14 3.20 -1.98 0.66 116.97 123.85 1i6g h TYR 20 Ca 0.09 0.05 -0.13 0.00 3.14 0.00 0.00 58.73 61.88 1i6g h TYR 20 Cb 0.37 -0.07 0.01 0.00 1.54 0.00 0.00 36.73 38.59 1i6g h TYR 20 CO 0.03 -0.21 -0.51 0.00 -1.64 0.00 0.00 178.16 175.83 1i6g h ASP 22 N -0.27 0.31 0.07 0.00 1.82 0.29 0.33 116.42 118.97 1i6g h ASP 22 Ca -0.07 0.09 -0.00 0.00 -0.39 0.00 0.00 57.03 56.65 1i6g h ASP 22 Cb 1.25 0.04 0.00 0.00 0.68 0.00 0.00 39.33 41.31 1i6g h ASP 22 CO 0.10 -0.01 -0.03 -1.13 -1.61 0.00 0.00 179.24 176.56 1i6g h ASN 23 N 0.23 -0.08 -0.37 2.28 -0.73 -1.20 -2.03 115.58 113.68 1i6g h ASN 23 Ca 0.67 0.00 0.06 0.00 1.87 0.00 0.00 56.30 58.90 1i6g h ASN 23 Cb 1.99 0.02 -0.09 0.00 0.27 0.00 0.00 38.32 40.51 1i6g h ASN 23 CO -0.28 0.26 -0.47 -0.61 -0.37 0.00 0.00 177.43 175.96 1i6g h GLN 24 N -0.74 -0.36 -0.10 6.67 5.75 -1.09 0.46 115.11 125.70 1i6g h GLN 24 Ca -0.01 0.02 0.04 0.00 -0.15 0.00 0.00 58.65 58.56 1i6g h GLN 24 Cb 0.07 0.08 -0.06 0.00 1.07 0.00 0.00 27.48 28.65 1i6g h GLN 24 CO 0.02 -0.24 -0.31 0.00 -2.65 0.00 0.00 178.83 175.65 1i6g h LYS 26 N -0.40 -0.33 -0.71 0.00 3.64 -0.42 1.36 116.57 119.71 1i6g h LYS 26 Ca 0.09 0.02 0.21 0.00 -1.27 0.00 0.00 60.65 59.70 1i6g h LYS 26 Cb 0.53 0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 32.40 1i6g h LYS 26 CO -0.33 -0.22 0.71 0.52 -2.27 0.00 0.00 179.45 177.86 1i6g h MET 27 N -0.34 0.00 -1.56 1.90 2.86 -0.37 0.16 114.93 117.59 1i6g h MET 27 Ca 0.08 0.00 -0.48 0.00 -2.06 0.00 0.00 59.70 57.24 1i6g h MET 27 Cb 0.56 0.00 -0.19 0.00 0.06 0.00 0.00 31.60 32.03 1i6g h MET 27 CO -0.63 0.00 0.57 1.63 1.06 0.00 0.00 176.91 179.54 1i6g n LYS 28 N -3.70 2.22 -2.61 1.72 5.02 0.46 -4.81 118.16 116.46 1i6g n LYS 28 Ca 0.15 -2.29 -0.05 0.00 -2.02 0.00 0.00 58.31 54.10 1i6g n LYS 28 Cb 0.96 -1.94 -0.01 0.00 -0.02 0.00 0.00 35.03 34.02 1i6g n LYS 28 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 1i6g n LYS 29 N 0.12 -2.76 -2.80 1.97 4.81 0.56 -3.78 118.16 116.27 1i6g n LYS 29 Ca 0.44 0.13 -0.26 0.00 -0.87 0.00 0.00 58.31 57.75 1i6g n LYS 29 Cb 0.56 -4.66 0.00 0.00 0.02 0.00 0.00 35.03 30.96 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 -2.20 3.50 -0.11 3.14 0.00 -0.83 -3.99 121.76 121.28 1i6g s ALA 30 Ca 0.05 -0.71 0.01 0.00 0.00 0.00 0.00 51.96 51.31 1i6g s ALA 30 Cb -0.03 -2.42 -0.07 0.00 0.00 0.00 0.00 23.12 20.60 1i6g s ALA 30 CO 0.06 -0.36 -0.10 -1.13 0.00 0.00 0.00 175.76 174.23 1i6g n SER 31 N -2.19 3.10 -4.05 0.00 3.41 0.27 -4.46 113.62 109.70 1i6g n SER 31 Ca 0.00 -0.06 -0.34 0.00 -0.26 0.00 0.00 58.87 58.21 1i6g n SER 31 Cb 0.56 -0.18 -0.10 0.00 -0.26 0.00 0.00 64.21 64.23 1i6g n SER 31 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1i6g s GLY 32 N -5.10 2.60 -0.26 5.00 0.00 0.01 -4.85 107.32 104.73 1i6g s GLY 32 Ca -0.15 -3.39 -0.14 0.00 0.00 0.00 0.00 44.72 41.04 1i6g s GLY 32 CO 0.26 1.09 0.33 -0.32 0.00 0.00 0.00 173.10 174.46 1i6g s GLY 33 N 0.18 1.93 0.29 0.20 0.00 -1.26 0.47 107.32 109.12 1i6g s GLY 33 Ca 0.19 -0.83 -0.18 0.00 0.00 0.00 0.00 44.72 43.91 1i6g s GLY 33 CO -0.05 0.85 0.66 -2.38 0.00 0.00 0.00 173.10 172.18 1i6g s HIS 34 N 1.81 0.03 -0.08 1.90 -3.43 -0.38 -3.27 115.29 111.87 1i6g s HIS 34 Ca 0.14 -0.48 -0.05 0.00 -0.80 0.00 0.00 55.06 53.87 1i6g s HIS 34 Cb -0.15 0.56 -0.04 0.00 -1.43 0.00 0.00 32.58 31.52 1i6g s HIS 34 CO 0.09 -1.21 0.11 0.00 -2.00 0.00 0.00 174.74 171.73 1i6g s TYR 36 N -1.06 -0.54 -1.26 0.00 6.14 -0.77 -4.91 117.35 114.94 1i6g s TYR 36 Ca 0.17 0.83 -0.08 0.00 0.64 0.00 0.00 57.07 58.63 1i6g s TYR 36 Cb -0.12 0.36 0.06 0.00 0.42 0.00 0.00 41.96 42.68 1i6g s TYR 36 CO 0.07 -0.60 0.45 0.00 0.64 0.00 0.00 175.55 176.10 1i6g n ALA 37 N 0.78 -1.03 -1.13 3.97 0.00 -1.26 0.88 120.51 122.71 1i6g n ALA 37 Ca -0.19 0.09 -0.05 0.00 0.00 0.00 0.00 53.44 53.30 1i6g n ALA 37 Cb 0.58 -2.70 -0.02 0.00 0.00 0.00 0.00 19.45 17.31 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 -3.65 -1.72 -4.60 0.00 2.81 -1.26 -4.94 117.12 103.76 1i6g n MET 38 Ca -0.03 0.63 -0.23 0.00 -1.81 0.00 0.00 57.70 56.26 1i6g n MET 38 Cb 0.55 -5.00 -0.16 0.00 -0.71 0.00 0.00 33.22 27.91 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 -2.19 1.67 0.36 7.83 0.01 0.25 -1.92 113.70 119.71 1i6g s SER 39 Ca 0.00 -0.27 -0.28 0.00 1.31 0.00 0.00 55.95 56.71 1i6g s SER 39 Cb 0.00 -0.46 -0.11 0.00 0.21 0.00 0.00 66.02 65.66 1i6g s SER 39 CO 0.00 0.11 1.43 0.00 0.41 0.00 0.00 173.24 175.19 1i6g s TYR 41 N -1.09 0.87 -0.00 0.00 5.04 0.05 -4.14 117.35 118.08 1i6g s TYR 41 Ca 0.52 -0.54 0.01 0.00 -2.44 0.00 0.00 57.07 54.62 1i6g s TYR 41 Cb -0.44 -0.50 0.00 0.00 0.35 0.00 0.00 41.96 41.36 1i6g s TYR 41 CO 0.60 -0.04 -0.02 0.00 -1.34 0.00 0.00 175.55 174.75 1i6g s GLU 43 N 0.09 2.59 0.00 0.00 2.12 0.18 -2.38 118.70 121.30 1i6g s GLU 43 Ca -0.01 -2.01 0.00 0.00 0.36 0.00 0.00 54.97 53.32 1i6g s GLU 43 Cb -0.02 -3.92 0.00 0.00 0.26 0.00 0.00 34.13 30.44 1i6g s GLU 43 CO -0.00 -1.19 0.00 0.41 -0.54 0.00 0.00 175.26 173.93 1i6g n GLY 44 N 4.49 -0.35 3.08 -1.50 0.00 0.21 0.94 105.19 112.06 1i6g n GLY 44 Ca -0.02 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.64 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 -4.50 -4.72 0.99 4.77 0.19 -3.87 117.00 109.86 1i6g n LEU 45 Ca 0.00 0.16 -0.42 0.00 -0.03 0.00 0.00 56.01 55.72 1i6g n LEU 45 Cb 0.00 -0.79 -0.03 0.00 -2.33 0.00 0.00 43.42 40.27 1i6g n LEU 45 CO 0.00 -4.97 0.91 -2.16 -1.33 0.00 0.00 177.39 169.84 1i6g s PRO 46 N -2.31 4.44 0.64 3.23 0.04 -1.25 0.37 135.00 140.16 1i6g s PRO 46 Ca 0.43 1.86 0.21 0.00 0.04 0.00 0.00 61.00 63.53 1i6g s PRO 46 Cb -0.13 -3.29 0.98 0.00 0.04 0.00 0.00 34.50 32.10 1i6g s PRO 46 CO 0.77 -0.21 1.52 1.49 0.04 0.00 0.00 177.00 180.61 1i6g h GLU 47 N 6.14 0.00 -0.61 4.56 4.81 -1.93 1.47 114.58 129.02 1i6g h GLU 47 Ca -0.43 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.80 1i6g h GLU 47 Cb 1.21 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.59 1i6g h GLU 47 CO 0.79 0.00 0.00 0.27 -0.73 0.00 0.00 179.01 179.34 1i6g n ASN 48 N -3.03 3.68 -4.87 1.04 0.23 -1.26 -4.94 115.26 106.11 1i6g n ASN 48 Ca 0.06 -2.30 -0.31 0.00 -0.53 0.00 0.00 54.58 51.51 1i6g n ASN 48 Cb 0.88 -0.49 -0.00 0.00 -2.08 0.00 0.00 39.78 38.08 1i6g n ASN 48 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1i6g s ALA 49 N -1.71 3.14 -0.56 -2.53 0.00 0.50 -5.02 121.76 115.58 1i6g s ALA 49 Ca 0.39 -0.08 -0.11 0.00 0.00 0.00 0.00 51.96 52.16 1i6g s ALA 49 Cb 0.25 -3.01 0.14 0.00 0.00 0.00 0.00 23.12 20.49 1i6g s ALA 49 CO 0.20 -0.52 0.46 0.21 0.00 0.00 0.00 175.76 176.11 1i6g s LYS 50 N -4.82 2.80 0.35 0.00 2.20 -1.26 -5.00 119.74 114.00 1i6g s LYS 50 Ca 0.55 -1.93 0.07 0.00 -0.36 0.00 0.00 55.97 54.30 1i6g s LYS 50 Cb -0.11 -4.09 -0.07 0.00 -1.51 0.00 0.00 37.83 32.06 1i6g s LYS 50 CO 0.47 -1.24 -0.01 0.14 -0.36 0.00 0.00 175.35 174.34 1i6g s VAL 51 N 1.11 1.79 -0.05 4.02 -7.23 -1.26 -2.18 120.40 116.60 1i6g s VAL 51 Ca 0.08 -2.07 -0.19 0.00 -1.81 0.00 0.00 61.98 57.99 1i6g s VAL 51 Cb -0.24 -2.77 -0.05 0.00 0.56 0.00 0.00 36.38 33.88 1i6g s VAL 51 CO -0.01 -0.10 0.53 -0.55 -0.31 0.00 0.00 175.10 174.65 1i6g s SER 52 N -3.58 6.84 -0.11 4.85 0.15 -0.02 -4.88 113.70 116.96 1i6g s SER 52 Ca 0.34 1.00 0.05 0.00 0.70 0.00 0.00 55.95 58.04 1i6g s SER 52 Cb 0.07 -2.32 0.31 0.00 -1.71 0.00 0.00 66.02 62.37 1i6g s SER 52 CO 0.16 0.08 1.05 -0.90 1.20 0.00 0.00 173.24 174.83 1i6g n ASP 53 N 3.03 2.93 -3.84 5.45 5.75 -1.26 -4.02 116.55 124.59 1i6g n ASP 53 Ca -0.08 -2.41 -0.23 0.00 -0.01 0.00 0.00 54.79 52.06 1i6g n ASP 53 Cb 0.51 -0.58 -0.17 0.00 -1.03 0.00 0.00 41.12 39.85 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 -0.24 1.60 0.36 -1.12 1.04 -1.26 -4.99 113.70 109.09 1i6g s SER 54 Ca 0.22 -0.16 0.25 0.00 0.48 0.00 0.00 55.95 56.74 1i6g s SER 54 Cb 0.17 -0.56 1.29 0.00 0.10 0.00 0.00 66.02 67.03 1i6g s SER 54 CO 0.06 -0.14 1.77 0.00 0.98 0.00 0.00 173.24 175.91 1i6g h ALA 55 N 8.00 1.00 -2.64 5.32 0.00 -2.04 -3.38 119.26 125.50 1i6g h ALA 55 Ca -0.26 0.00 -0.31 0.00 0.00 0.00 0.00 54.91 54.33 1i6g h ALA 55 Cb 1.13 0.00 -0.36 0.00 0.00 0.00 0.00 17.79 18.57 1i6g h ALA 55 CO 0.35 0.00 -0.63 -0.08 0.00 0.00 0.00 179.25 178.89 1i6g s THR 56 N -3.58 -0.31 0.05 0.00 -1.32 -1.26 -5.05 115.64 104.16 1i6g s THR 56 Ca -0.01 -0.03 -0.26 0.00 -1.21 0.00 0.00 61.69 60.17 1i6g s THR 56 Cb 0.08 -0.61 0.07 0.00 -1.51 0.00 0.00 72.50 70.52 1i6g s THR 56 CO 0.28 -0.14 0.62 0.54 -2.21 0.00 0.00 174.62 173.70 1i6g s ASN 57 N 2.32 -0.59 0.01 8.08 4.22 -1.26 -5.16 114.94 122.56 1i6g s ASN 57 Ca 0.06 0.34 -0.07 0.00 -2.14 0.00 0.00 52.86 51.05 1i6g s ASN 57 Cb -0.15 0.56 -0.05 0.00 1.28 0.00 0.00 41.25 42.89 1i6g s ASN 57 CO -0.11 -0.77 0.28 -0.63 -2.04 0.00 0.00 177.10 173.83 1i6g s ILE 58 N -2.41 5.29 -0.25 0.54 1.01 -1.26 -4.98 121.20 119.14 1i6g s ILE 58 Ca -0.05 0.22 -0.06 0.00 0.00 0.00 0.00 60.65 60.76 1i6g s ILE 58 Cb -0.01 -3.57 -0.01 0.00 0.01 0.00 0.00 42.46 38.88 1i6g s ILE 58 CO -0.01 0.38 0.03 0.00 0.00 0.00 0.00 174.94 175.34