#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 3.90 0.00 -5.58 1.01 -1.26 -0.21 116.67 114.54 1i6g s ASP 2 Ca 0.00 -0.58 0.00 0.00 0.71 0.00 0.00 52.55 52.68 1i6g s ASP 2 Cb 0.00 -0.55 0.00 0.00 1.01 0.00 0.00 42.92 43.38 1i6g s ASP 2 CO 0.00 0.17 0.00 0.61 0.21 0.00 0.00 175.17 176.16 1i6g n GLY 3 N 0.67 0.67 3.66 0.21 0.00 -0.92 -4.97 105.19 104.51 1i6g n GLY 3 Ca -0.15 -0.82 -0.35 0.00 0.00 0.00 0.00 46.02 44.70 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 -3.08 3.18 0.24 1.61 1.51 -1.25 -1.23 117.35 118.33 1i6g s TYR 4 Ca 0.00 0.12 -0.30 0.00 -1.01 0.00 0.00 57.07 55.89 1i6g s TYR 4 Cb 0.00 -1.87 -0.09 0.00 -0.11 0.00 0.00 41.96 39.90 1i6g s TYR 4 CO 0.00 0.36 1.12 -1.25 -1.11 0.00 0.00 175.55 174.68 1i6g s PRO 5 N -0.52 4.59 0.35 -1.71 0.04 -1.25 0.80 135.00 137.30 1i6g s PRO 5 Ca 0.09 1.81 0.07 0.00 0.04 0.00 0.00 61.00 63.01 1i6g s PRO 5 Cb -0.12 -3.22 -0.07 0.00 0.04 0.00 0.00 34.50 31.14 1i6g s PRO 5 CO 0.02 0.11 -0.02 0.14 0.04 0.00 0.00 177.00 177.29 1i6g s VAL 6 N -0.72 1.80 0.58 -0.36 -7.23 -0.99 -0.03 120.40 113.44 1i6g s VAL 6 Ca 0.47 -2.08 0.08 0.00 -1.81 0.00 0.00 61.98 58.65 1i6g s VAL 6 Cb -0.32 -2.75 0.08 0.00 0.56 0.00 0.00 36.38 33.95 1i6g s VAL 6 CO 0.39 -0.12 0.66 1.51 -0.31 0.00 0.00 175.10 177.23 1i6g s ASP 7 N -3.58 4.87 0.52 4.85 1.47 -0.91 -4.89 116.67 119.00 1i6g s ASP 7 Ca 0.33 -1.05 0.25 0.00 1.18 0.00 0.00 52.55 53.26 1i6g s ASP 7 Cb 0.07 0.45 1.37 0.00 -0.34 0.00 0.00 42.92 44.47 1i6g s ASP 7 CO 0.16 -1.31 1.74 0.77 0.68 0.00 0.00 175.17 177.21 1i6g h SER 8 N 0.36 0.00 0.71 2.11 4.64 -2.00 0.15 113.55 119.52 1i6g h SER 8 Ca -0.32 0.00 -0.25 0.00 -0.47 0.00 0.00 61.79 60.76 1i6g h SER 8 Cb 1.30 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.38 1i6g h SER 8 CO 0.47 0.00 -1.13 0.50 -0.87 0.00 0.00 176.83 175.80 1i6g h LYS 9 N 0.00 0.20 0.00 4.77 3.64 -2.03 -3.47 116.57 119.68 1i6g h LYS 9 Ca 0.00 -0.32 0.00 0.00 -1.27 0.00 0.00 60.65 59.06 1i6g h LYS 9 Cb 0.49 0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.43 1i6g h LYS 9 CO 0.00 1.13 0.00 0.41 -2.27 0.00 0.00 179.45 178.72 1i6g n GLY 10 N 1.39 1.50 3.51 5.01 0.00 0.53 -5.11 105.19 112.02 1i6g n GLY 10 Ca -0.06 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.63 1i6g n GLY 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i6g n LYS 12 N 2.50 -2.96 -3.42 0.00 5.02 -1.26 -2.15 118.16 115.90 1i6g n LYS 12 Ca -0.18 -0.86 -0.44 0.00 -2.02 0.00 0.00 58.31 54.82 1i6g n LYS 12 Cb 0.53 -1.90 -0.06 0.00 -0.02 0.00 0.00 35.03 33.58 1i6g n LYS 12 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 1i6g s LEU 13 N -5.11 6.13 0.46 -0.35 2.96 0.95 -4.74 118.68 118.98 1i6g s LEU 13 Ca 0.61 -2.16 -0.24 0.00 -0.22 0.00 0.00 54.13 52.12 1i6g s LEU 13 Cb -0.17 -2.12 -0.09 0.00 0.50 0.00 0.00 46.19 44.31 1i6g s LEU 13 CO 0.60 -0.69 1.16 -1.20 -1.32 0.00 0.00 176.35 174.89 1i6g n SER 14 N 4.66 1.95 -3.96 3.68 7.64 -1.26 -1.19 113.62 125.13 1i6g n SER 14 Ca -0.03 1.03 -0.08 0.00 1.01 0.00 0.00 58.87 60.80 1i6g n SER 14 Cb 0.42 -1.45 -0.09 0.00 -1.01 0.00 0.00 64.21 62.08 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 0.34 0.60 -3.72 0.00 3.14 -1.26 -4.42 118.33 113.01 1i6g n VAL 16 Ca -0.16 -0.65 -0.13 0.00 -2.96 0.00 0.00 64.34 60.44 1i6g n VAL 16 Cb 0.60 0.60 -0.10 0.00 -1.06 0.00 0.00 33.84 33.88 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 -0.73 -1.07 0.17 1.55 0.00 -1.26 -5.04 121.76 115.38 1i6g s ALA 17 Ca 0.04 1.28 -0.06 0.00 0.00 0.00 0.00 51.96 53.22 1i6g s ALA 17 Cb 0.04 -0.75 0.06 0.00 0.00 0.00 0.00 23.12 22.46 1i6g s ALA 17 CO 0.00 -0.22 1.49 -0.91 0.00 0.00 0.00 175.76 176.13 1i6g h ASN 18 N 5.74 0.75 -0.94 0.00 2.35 -1.95 -3.05 115.58 118.48 1i6g h ASN 18 Ca -0.29 -0.38 0.11 0.00 -0.55 0.00 0.00 56.30 55.19 1i6g h ASN 18 Cb 1.18 -0.21 -0.07 0.00 0.05 0.00 0.00 38.32 39.26 1i6g h ASN 18 CO 0.24 1.12 0.60 -0.55 -1.65 0.00 0.00 177.43 177.20 1i6g h ASN 19 N 0.53 0.84 -0.65 5.81 -1.07 -1.96 0.18 115.58 119.26 1i6g h ASN 19 Ca 0.02 0.03 -0.02 0.00 0.07 0.00 0.00 56.30 56.40 1i6g h ASN 19 Cb 1.07 -0.14 -0.03 0.00 -2.07 0.00 0.00 38.32 37.16 1i6g h ASN 19 CO 0.10 0.46 0.31 0.22 0.07 0.00 0.00 177.43 178.60 1i6g h TYR 20 N 0.91 0.92 -0.17 4.14 3.20 -1.93 -2.30 116.97 121.75 1i6g h TYR 20 Ca 0.45 -0.04 -0.21 0.00 3.14 0.00 0.00 58.73 62.07 1i6g h TYR 20 Cb 0.48 -0.29 0.01 0.00 1.54 0.00 0.00 36.73 38.47 1i6g h TYR 20 CO -0.00 0.69 -0.74 0.00 -1.64 0.00 0.00 178.16 176.47 1i6g h ASP 22 N 0.53 -0.58 -0.27 0.00 1.82 -0.47 0.43 116.42 117.88 1i6g h ASP 22 Ca -0.04 0.10 -0.12 0.00 -0.39 0.00 0.00 57.03 56.57 1i6g h ASP 22 Cb 1.35 0.26 -0.00 0.00 0.68 0.00 0.00 39.33 41.62 1i6g h ASP 22 CO 0.15 -0.24 -0.32 -1.13 -1.61 0.00 0.00 179.24 176.09 1i6g h ASN 23 N -0.25 0.75 0.45 2.28 -1.24 -1.46 -2.49 115.58 113.62 1i6g h ASN 23 Ca 0.09 -0.49 -0.02 0.00 0.71 0.00 0.00 56.30 56.59 1i6g h ASN 23 Cb 0.38 -0.21 0.00 0.00 0.73 0.00 0.00 38.32 39.22 1i6g h ASN 23 CO -0.25 1.09 -0.24 -0.61 -1.29 0.00 0.00 177.43 176.12 1i6g h GLN 24 N 0.43 -0.61 -0.73 6.67 5.75 -0.75 -1.83 115.11 124.03 1i6g h GLN 24 Ca 0.04 0.04 0.14 0.00 -0.15 0.00 0.00 58.65 58.72 1i6g h GLN 24 Cb 0.89 0.14 -0.14 0.00 1.07 0.00 0.00 27.48 29.44 1i6g h GLN 24 CO 0.08 -0.41 -0.25 0.00 -2.65 0.00 0.00 178.83 175.60 1i6g h LYS 26 N -0.05 -0.28 0.00 0.00 1.63 -1.29 1.41 116.57 117.99 1i6g h LYS 26 Ca 0.32 0.02 0.00 0.00 -0.85 0.00 0.00 60.65 60.14 1i6g h LYS 26 Cb 0.56 0.06 0.00 0.00 -0.60 0.00 0.00 32.23 32.25 1i6g h LYS 26 CO -0.77 -0.19 0.24 0.52 -3.45 0.00 0.00 179.45 175.80 1i6g h MET 27 N -0.29 0.00 -0.68 1.90 2.86 0.04 0.39 114.93 119.15 1i6g h MET 27 Ca 0.16 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.80 1i6g h MET 27 Cb 0.57 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.23 1i6g h MET 27 CO -0.58 0.00 0.00 1.63 1.06 0.00 0.00 176.91 179.02 1i6g n LYS 28 N -2.89 3.99 -2.17 1.72 4.76 0.48 -4.88 118.16 119.18 1i6g n LYS 28 Ca -0.02 -2.43 -0.14 0.00 -2.87 0.00 0.00 58.31 52.85 1i6g n LYS 28 Cb 0.29 -2.08 -0.01 0.00 -1.84 0.00 0.00 35.03 31.39 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 0.50 -1.09 -2.27 1.97 4.81 0.14 -4.67 118.16 117.55 1i6g n LYS 29 Ca 0.21 0.70 -0.11 0.00 -0.87 0.00 0.00 58.31 58.24 1i6g n LYS 29 Cb 0.98 -4.95 0.02 0.00 0.02 0.00 0.00 35.03 31.10 1i6g n LYS 29 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1i6g n ALA 30 N -1.35 0.59 0.00 3.14 0.00 -0.79 -4.11 120.51 117.99 1i6g n ALA 30 Ca -0.16 -1.13 0.00 0.00 0.00 0.00 0.00 53.44 52.15 1i6g n ALA 30 Cb 0.61 0.36 0.00 0.00 0.00 0.00 0.00 19.45 20.42 1i6g n ALA 30 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1i6g n SER 31 N -2.41 1.11 -4.29 0.00 2.88 -0.38 -4.43 113.62 106.10 1i6g n SER 31 Ca 0.06 0.00 -0.44 0.00 -1.33 0.00 0.00 58.87 57.16 1i6g n SER 31 Cb 0.32 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.76 1i6g n SER 31 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1i6g s GLY 32 N -3.29 3.07 -0.27 0.46 0.00 -0.38 -4.82 107.32 102.09 1i6g s GLY 32 Ca 0.00 -3.72 -0.14 0.00 0.00 0.00 0.00 44.72 40.86 1i6g s GLY 32 CO 0.00 1.28 0.32 -0.32 0.00 0.00 0.00 173.10 174.38 1i6g s GLY 33 N 1.22 1.90 0.04 0.20 0.00 -1.26 -0.07 107.32 109.36 1i6g s GLY 33 Ca 0.27 -0.88 -0.24 0.00 0.00 0.00 0.00 44.72 43.86 1i6g s GLY 33 CO -0.09 0.88 0.57 -2.38 0.00 0.00 0.00 173.10 172.08 1i6g s HIS 34 N 1.94 -0.49 -0.31 1.90 -3.43 -0.81 -2.77 115.29 111.31 1i6g s HIS 34 Ca 0.13 0.62 -0.21 0.00 -0.80 0.00 0.00 55.06 54.79 1i6g s HIS 34 Cb -0.16 0.38 -0.00 0.00 -1.43 0.00 0.00 32.58 31.37 1i6g s HIS 34 CO 0.10 -0.66 0.68 0.00 -2.00 0.00 0.00 174.74 172.86 1i6g s TYR 36 N 2.74 1.56 -1.35 0.00 5.04 0.99 -4.77 117.35 121.55 1i6g s TYR 36 Ca 0.27 -0.34 -0.02 0.00 -2.44 0.00 0.00 57.07 54.54 1i6g s TYR 36 Cb -0.15 -1.02 0.02 0.00 0.35 0.00 0.00 41.96 41.16 1i6g s TYR 36 CO 0.13 -0.07 0.73 0.00 -1.34 0.00 0.00 175.55 175.00 1i6g n ALA 37 N 2.82 -1.88 -1.27 3.97 0.00 -1.26 -0.02 120.51 122.87 1i6g n ALA 37 Ca -0.16 -0.11 -0.11 0.00 0.00 0.00 0.00 53.44 53.06 1i6g n ALA 37 Cb 0.54 -2.36 -0.05 0.00 0.00 0.00 0.00 19.45 17.58 1i6g n ALA 37 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.50 177.38 1i6g n MET 38 N -4.36 -1.40 -4.33 0.00 1.56 -1.26 -4.90 117.12 102.43 1i6g n MET 38 Ca -0.24 0.71 -0.18 0.00 -0.27 0.00 0.00 57.70 57.72 1i6g n MET 38 Cb 0.65 -4.88 -0.14 0.00 2.15 0.00 0.00 33.22 31.00 1i6g n MET 38 CO 0.00 0.00 0.00 -1.12 -0.73 0.00 0.00 175.97 174.12 1i6g s SER 39 N -1.99 1.09 0.28 6.12 0.01 0.97 -1.92 113.70 118.26 1i6g s SER 39 Ca 0.00 -0.22 -0.29 0.00 1.31 0.00 0.00 55.95 56.75 1i6g s SER 39 Cb 0.00 -0.10 -0.09 0.00 0.21 0.00 0.00 66.02 66.03 1i6g s SER 39 CO 0.00 0.08 1.06 0.00 0.41 0.00 0.00 173.24 174.79 1i6g s TYR 41 N -1.20 0.40 -0.06 0.00 5.04 -0.57 -3.80 117.35 117.16 1i6g s TYR 41 Ca 0.45 -0.05 0.02 0.00 -2.44 0.00 0.00 57.07 55.05 1i6g s TYR 41 Cb -0.30 -0.45 -0.03 0.00 0.35 0.00 0.00 41.96 41.54 1i6g s TYR 41 CO 0.38 -0.13 -0.11 0.00 -1.34 0.00 0.00 175.55 174.35 1i6g s GLU 43 N -0.71 2.68 0.00 0.00 -6.30 0.90 -2.16 118.70 113.12 1i6g s GLU 43 Ca 0.11 -2.24 0.00 0.00 -2.50 0.00 0.00 54.97 50.34 1i6g s GLU 43 Cb -0.11 -3.90 0.00 0.00 0.00 0.00 0.00 34.13 30.12 1i6g s GLU 43 CO 0.01 -1.19 0.00 0.41 0.02 0.00 0.00 175.26 174.51 1i6g n GLY 44 N 4.08 -0.86 3.48 -1.50 0.00 -1.02 -1.25 105.19 108.13 1i6g n GLY 44 Ca 0.04 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.75 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 0.07 -4.77 0.99 4.77 0.71 -4.40 117.00 114.38 1i6g n LEU 45 Ca 0.00 0.12 -0.31 0.00 -0.03 0.00 0.00 56.01 55.79 1i6g n LEU 45 Cb 0.00 -1.26 0.09 0.00 -2.33 0.00 0.00 43.42 39.92 1i6g n LEU 45 CO 0.00 -2.99 0.70 -2.16 -1.33 0.00 0.00 177.39 171.61 1i6g s PRO 46 N -4.15 2.24 0.57 3.23 0.04 -1.26 -0.40 135.00 135.27 1i6g s PRO 46 Ca 0.64 1.05 0.35 0.00 0.04 0.00 0.00 61.00 63.07 1i6g s PRO 46 Cb -0.21 -1.90 1.91 0.00 0.04 0.00 0.00 34.50 34.33 1i6g s PRO 46 CO 0.64 -1.62 2.07 1.49 0.04 0.00 0.00 177.00 179.61 1i6g h GLU 47 N -1.11 0.00 -0.01 4.56 4.57 -1.92 -1.61 114.58 119.06 1i6g h GLU 47 Ca -0.45 0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 57.71 1i6g h GLU 47 Cb 1.24 0.00 -0.05 0.00 -0.16 0.00 0.00 28.75 29.78 1i6g h GLU 47 CO 0.53 0.00 -0.57 0.27 -1.18 0.00 0.00 179.01 178.07 1i6g n ASN 48 N -2.79 1.65 -4.72 1.04 0.23 -1.26 -5.03 115.26 104.39 1i6g n ASN 48 Ca -0.02 -3.69 -0.33 0.00 -0.53 0.00 0.00 54.58 50.01 1i6g n ASN 48 Cb 0.13 -0.50 0.11 0.00 -2.08 0.00 0.00 39.78 37.43 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 -2.87 1.98 -1.29 -2.53 0.00 -0.61 -4.87 121.76 111.57 1i6g s ALA 49 Ca 0.38 0.75 -0.15 0.00 0.00 0.00 0.00 51.96 52.93 1i6g s ALA 49 Cb 0.37 -3.45 0.11 0.00 0.00 0.00 0.00 23.12 20.15 1i6g s ALA 49 CO -0.08 -2.07 1.72 1.17 0.00 0.00 0.00 175.76 176.50 1i6g n LYS 50 N -3.15 3.25 -4.44 0.00 4.81 -1.26 -4.93 118.16 112.43 1i6g n LYS 50 Ca 0.13 -3.39 -0.21 0.00 -0.87 0.00 0.00 58.31 53.96 1i6g n LYS 50 Cb 0.51 -3.28 -0.11 0.00 0.02 0.00 0.00 35.03 32.17 1i6g n LYS 50 CO 0.00 0.00 0.00 0.14 1.17 0.00 0.00 177.40 178.71 1i6g s VAL 51 N 2.95 1.19 -0.05 3.15 -7.23 -1.25 -2.34 120.40 116.82 1i6g s VAL 51 Ca 0.48 -2.01 -0.19 0.00 -1.81 0.00 0.00 61.98 58.46 1i6g s VAL 51 Cb 0.04 -2.77 -0.05 0.00 0.56 0.00 0.00 36.38 34.16 1i6g s VAL 51 CO 0.03 -0.02 0.54 -0.55 -0.31 0.00 0.00 175.10 174.79 1i6g s SER 52 N -3.48 6.86 -0.17 4.85 0.15 0.24 -4.84 113.70 117.30 1i6g s SER 52 Ca 0.36 1.02 0.16 0.00 0.70 0.00 0.00 55.95 58.19 1i6g s SER 52 Cb 0.08 -2.33 0.59 0.00 -1.71 0.00 0.00 66.02 62.65 1i6g s SER 52 CO 0.15 0.07 1.49 -0.90 1.20 0.00 0.00 173.24 175.25 1i6g n ASP 53 N 3.07 4.27 -3.99 5.45 5.75 -1.26 -3.83 116.55 126.01 1i6g n ASP 53 Ca -0.07 -2.88 -0.31 0.00 -0.01 0.00 0.00 54.79 51.53 1i6g n ASP 53 Cb 0.51 -0.55 -0.15 0.00 -1.03 0.00 0.00 41.12 39.90 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 -1.54 4.67 0.00 -1.12 1.04 -1.26 -4.94 113.70 110.55 1i6g s SER 54 Ca 0.44 -2.16 0.06 0.00 0.48 0.00 0.00 55.95 54.77 1i6g s SER 54 Cb 0.34 -1.55 0.25 0.00 0.10 0.00 0.00 66.02 65.15 1i6g s SER 54 CO 0.12 -0.38 1.18 0.00 0.98 0.00 0.00 173.24 175.14 1i6g n ALA 55 N 4.25 1.27 -3.56 5.32 0.00 -1.26 -3.52 120.51 123.00 1i6g n ALA 55 Ca 0.04 -0.02 -0.27 0.00 0.00 0.00 0.00 53.44 53.18 1i6g n ALA 55 Cb 0.41 -1.09 -0.09 0.00 0.00 0.00 0.00 19.45 18.68 1i6g n ALA 55 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1i6g n THR 56 N -1.49 1.71 -3.75 0.00 -1.04 -1.26 -5.05 114.28 103.40 1i6g n THR 56 Ca 0.01 -4.92 -0.13 0.00 -2.04 0.00 0.00 64.05 56.98 1i6g n THR 56 Cb 0.07 -2.10 -0.11 0.00 -1.82 0.00 0.00 70.33 66.37 1i6g n THR 56 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 1i6g s ASN 57 N -1.92 -0.36 -0.08 8.00 4.22 -1.23 -5.14 114.94 118.43 1i6g s ASN 57 Ca 0.34 0.69 -0.03 0.00 -2.14 0.00 0.00 52.86 51.72 1i6g s ASN 57 Cb 0.08 0.67 0.04 0.00 1.28 0.00 0.00 41.25 43.32 1i6g s ASN 57 CO -0.08 -0.13 0.06 -0.51 -2.04 0.00 0.00 177.10 174.40 1i6g s ILE 58 N 0.37 -0.00 -0.55 0.54 1.10 -1.26 -5.02 121.20 116.39 1i6g s ILE 58 Ca -0.02 0.20 -0.16 0.00 -0.51 0.00 0.00 60.65 60.16 1i6g s ILE 58 Cb -0.04 -0.34 0.12 0.00 0.15 0.00 0.00 42.46 42.36 1i6g s ILE 58 CO -0.01 0.07 0.53 0.00 -2.11 0.00 0.00 174.94 173.41