#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i6f s ASP 2 N 0.00 5.60 0.00 -5.58 1.01 -1.26 0.12 116.67 116.55 1i6f s ASP 2 Ca 0.00 -0.14 0.00 0.00 0.71 0.00 0.00 52.55 53.12 1i6f s ASP 2 Cb 0.00 -1.47 0.00 0.00 1.01 0.00 0.00 42.92 42.46 1i6f s ASP 2 CO 0.00 0.04 0.00 0.61 0.21 0.00 0.00 175.17 176.03 1i6f n GLY 3 N -0.61 -1.52 3.57 0.21 0.00 -1.00 -4.98 105.19 100.86 1i6f n GLY 3 Ca -0.08 -1.11 -0.34 0.00 0.00 0.00 0.00 46.02 44.49 1i6f n GLY 3 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1i6f s TYR 4 N -2.82 3.06 0.35 1.61 1.51 -1.26 -1.76 117.35 118.04 1i6f s TYR 4 Ca 0.00 -0.09 -0.27 0.00 -1.01 0.00 0.00 57.07 55.71 1i6f s TYR 4 Cb 0.00 -1.88 -0.09 0.00 -0.11 0.00 0.00 41.96 39.88 1i6f s TYR 4 CO 0.00 0.18 1.11 -1.25 -1.11 0.00 0.00 175.55 174.48 1i6f s PRO 5 N -0.18 4.33 0.37 -1.71 0.04 -1.25 -1.93 135.00 134.66 1i6f s PRO 5 Ca 0.04 1.75 0.08 0.00 0.04 0.00 0.00 61.00 62.91 1i6f s PRO 5 Cb -0.13 -2.85 -0.06 0.00 0.04 0.00 0.00 34.50 31.50 1i6f s PRO 5 CO 0.02 -0.06 0.01 0.14 0.04 0.00 0.00 177.00 177.16 1i6f s VAL 6 N -1.37 2.35 0.23 -0.36 -7.23 -0.85 -0.91 120.40 112.26 1i6f s VAL 6 Ca 0.52 -1.99 -0.01 0.00 -1.81 0.00 0.00 61.98 58.69 1i6f s VAL 6 Cb -0.29 -2.83 0.05 0.00 0.56 0.00 0.00 36.38 33.86 1i6f s VAL 6 CO 0.37 -0.13 0.31 -0.90 -0.31 0.00 0.00 175.10 174.44 1i6f n ASP 7 N -0.96 0.32 0.18 4.85 5.68 -0.67 -4.80 116.55 121.15 1i6f n ASP 7 Ca -0.04 -1.29 0.11 0.00 -0.50 0.00 0.00 54.79 53.07 1i6f n ASP 7 Cb 0.64 -0.21 0.61 0.00 -1.14 0.00 0.00 41.12 41.01 1i6f n ASP 7 CO 0.00 0.00 0.00 0.77 -1.33 0.00 0.00 177.20 176.64 1i6f h SER 8 N -0.24 0.00 0.67 -1.12 4.64 -2.01 0.78 113.55 116.27 1i6f h SER 8 Ca -0.10 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.18 1i6f h SER 8 Cb 0.35 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.44 1i6f h SER 8 CO 0.10 0.00 -1.36 1.17 -0.87 0.00 0.00 176.83 175.87 1i6f n LYS 9 N -2.30 0.62 -0.01 4.77 4.81 -1.26 -4.96 118.16 119.83 1i6f n LYS 9 Ca -0.01 0.05 0.00 0.00 -0.87 0.00 0.00 58.31 57.48 1i6f n LYS 9 Cb 0.09 -1.74 0.00 0.00 0.02 0.00 0.00 35.03 33.40 1i6f n LYS 9 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1i6f n GLY 10 N 1.25 1.19 3.83 3.14 0.00 0.27 -5.08 105.19 109.78 1i6f n GLY 10 Ca -0.03 -0.01 -0.36 0.00 0.00 0.00 0.00 46.02 45.61 1i6f n GLY 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i6f n LYS 12 N 2.20 1.53 -2.70 0.00 5.02 -1.26 -1.68 118.16 121.28 1i6f n LYS 12 Ca -0.19 0.54 -0.43 0.00 -2.02 0.00 0.00 58.31 56.21 1i6f n LYS 12 Cb 0.54 -2.05 -0.03 0.00 -0.02 0.00 0.00 35.03 33.47 1i6f n LYS 12 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 1i6f s LEU 13 N -0.36 3.81 0.36 -0.35 2.96 -0.08 -4.82 118.68 120.20 1i6f s LEU 13 Ca 0.60 0.38 -0.28 0.00 -0.22 0.00 0.00 54.13 54.61 1i6f s LEU 13 Cb -0.60 -3.40 -0.11 0.00 0.50 0.00 0.00 46.19 42.57 1i6f s LEU 13 CO 0.59 -1.13 1.43 -1.20 -1.32 0.00 0.00 176.35 174.71 1i6f n SER 14 N 7.48 3.46 -4.22 3.68 7.64 -1.26 -0.35 113.62 130.05 1i6f n SER 14 Ca 0.10 1.22 -0.26 0.00 1.01 0.00 0.00 58.87 60.94 1i6f n SER 14 Cb 0.49 -1.58 -0.15 0.00 -1.01 0.00 0.00 64.21 61.96 1i6f n SER 14 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1i6f n VAL 16 N 2.25 0.00 -3.90 0.00 3.14 -1.26 -4.50 118.33 114.06 1i6f n VAL 16 Ca -0.16 -0.31 -0.10 0.00 -2.96 0.00 0.00 64.34 60.80 1i6f n VAL 16 Cb 0.53 0.81 -0.09 0.00 -1.06 0.00 0.00 33.84 34.03 1i6f n VAL 16 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1i6f s ALA 17 N -1.52 -0.19 0.04 1.55 0.00 -1.26 -5.06 121.76 115.32 1i6f s ALA 17 Ca 0.00 -0.38 -0.20 0.00 0.00 0.00 0.00 51.96 51.39 1i6f s ALA 17 Cb 0.01 0.21 -0.15 0.00 0.00 0.00 0.00 23.12 23.20 1i6f s ALA 17 CO 0.08 -0.29 1.33 -0.91 0.00 0.00 0.00 175.76 175.98 1i6f h ASN 18 N 3.83 0.41 -0.77 0.00 2.35 -1.94 -3.16 115.58 116.29 1i6f h ASN 18 Ca -0.32 -0.50 0.15 0.00 -0.55 0.00 0.00 56.30 55.09 1i6f h ASN 18 Cb 1.19 -0.12 -0.10 0.00 0.05 0.00 0.00 38.32 39.34 1i6f h ASN 18 CO 0.47 0.82 0.30 -0.55 -1.65 0.00 0.00 177.43 176.82 1i6f h ASN 19 N -0.00 0.26 -0.05 5.81 -1.07 -1.97 0.85 115.58 119.41 1i6f h ASN 19 Ca 0.02 0.12 0.04 0.00 0.07 0.00 0.00 56.30 56.55 1i6f h ASN 19 Cb 0.72 0.11 -0.05 0.00 -2.07 0.00 0.00 38.32 37.03 1i6f h ASN 19 CO 0.04 0.07 -0.28 0.22 0.07 0.00 0.00 177.43 177.55 1i6f h TYR 20 N 0.42 -0.77 -0.65 4.14 3.20 -1.95 -2.05 116.97 119.32 1i6f h TYR 20 Ca 0.44 0.03 -0.06 0.00 3.14 0.00 0.00 58.73 62.28 1i6f h TYR 20 Cb 0.70 0.35 -0.03 0.00 1.54 0.00 0.00 36.73 39.28 1i6f h TYR 20 CO -0.17 -0.37 0.18 0.00 -1.64 0.00 0.00 178.16 176.15 1i6f h ASP 22 N 0.95 -1.31 0.69 0.00 3.58 -0.20 0.22 116.42 120.35 1i6f h ASP 22 Ca 0.21 0.21 -0.03 0.00 0.42 0.00 0.00 57.03 57.83 1i6f h ASP 22 Cb 0.33 0.58 0.01 0.00 1.72 0.00 0.00 39.33 41.97 1i6f h ASP 22 CO -0.00 -0.36 -0.33 -1.13 -2.88 0.00 0.00 179.24 174.54 1i6f h ASN 23 N -0.31 -0.78 -0.25 2.28 -0.73 -1.33 -1.68 115.58 112.78 1i6f h ASN 23 Ca 0.15 -0.00 0.03 0.00 1.87 0.00 0.00 56.30 58.35 1i6f h ASN 23 Cb 0.57 0.20 -0.05 0.00 0.27 0.00 0.00 38.32 39.31 1i6f h ASN 23 CO -0.55 -0.48 -0.36 -0.61 -0.37 0.00 0.00 177.43 175.06 1i6f h GLN 24 N -1.05 -0.26 -0.55 6.67 5.75 -1.05 -1.12 115.11 123.50 1i6f h GLN 24 Ca -0.09 0.02 0.11 0.00 -0.15 0.00 0.00 58.65 58.53 1i6f h GLN 24 Cb 0.74 0.06 -0.11 0.00 1.07 0.00 0.00 27.48 29.24 1i6f h GLN 24 CO 0.15 -0.17 -0.25 0.00 -2.65 0.00 0.00 178.83 175.91 1i6f h LYS 26 N -0.12 -0.08 -0.28 0.00 3.64 -0.25 0.72 116.57 120.19 1i6f h LYS 26 Ca 0.24 0.01 0.08 0.00 -1.27 0.00 0.00 60.65 59.71 1i6f h LYS 26 Cb 0.51 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.33 1i6f h LYS 26 CO -0.62 -0.05 0.21 0.52 -2.27 0.00 0.00 179.45 177.24 1i6f h MET 27 N -0.08 0.00 -0.82 1.90 2.86 -0.04 0.17 114.93 118.91 1i6f h MET 27 Ca 0.28 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.92 1i6f h MET 27 Cb 0.52 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.18 1i6f h MET 27 CO -0.67 0.00 0.00 1.63 1.06 0.00 0.00 176.91 178.93 1i6f n LYS 28 N -4.37 2.55 -3.14 1.72 5.02 0.24 -4.85 118.16 115.34 1i6f n LYS 28 Ca 0.04 -1.26 -0.17 0.00 -2.02 0.00 0.00 58.31 54.89 1i6f n LYS 28 Cb 0.37 -1.80 0.05 0.00 -0.02 0.00 0.00 35.03 33.63 1i6f n LYS 28 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 1i6f n LYS 29 N 0.25 -5.06 -4.15 1.97 4.81 0.58 -4.25 118.16 112.32 1i6f n LYS 29 Ca 0.11 0.62 -0.22 0.00 -0.87 0.00 0.00 58.31 57.95 1i6f n LYS 29 Cb 0.62 -4.96 -0.05 0.00 0.02 0.00 0.00 35.03 30.65 1i6f n LYS 29 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1i6f s ALA 30 N -3.16 3.46 -0.06 3.14 0.00 -0.67 -4.04 121.76 120.44 1i6f s ALA 30 Ca 0.36 -1.54 0.03 0.00 0.00 0.00 0.00 51.96 50.81 1i6f s ALA 30 Cb -0.16 -1.08 -0.06 0.00 0.00 0.00 0.00 23.12 21.82 1i6f s ALA 30 CO 0.44 0.22 -0.01 0.45 0.00 0.00 0.00 175.76 176.86 1i6f n SER 31 N -1.10 3.53 -4.16 0.00 2.88 0.24 -4.14 113.62 110.87 1i6f n SER 31 Ca -0.07 -0.02 -0.38 0.00 -1.33 0.00 0.00 58.87 57.08 1i6f n SER 31 Cb 0.59 0.35 -0.06 0.00 -0.75 0.00 0.00 64.21 64.34 1i6f n SER 31 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1i6f s GLY 32 N -4.09 2.99 -0.26 0.46 0.00 -0.27 -4.83 107.32 101.31 1i6f s GLY 32 Ca -0.06 -3.72 -0.08 0.00 0.00 0.00 0.00 44.72 40.86 1i6f s GLY 32 CO 0.21 1.21 0.11 -0.32 0.00 0.00 0.00 173.10 174.30 1i6f s GLY 33 N 0.38 1.81 0.28 0.20 0.00 -1.26 0.77 107.32 109.51 1i6f s GLY 33 Ca 0.26 -1.15 -0.16 0.00 0.00 0.00 0.00 44.72 43.67 1i6f s GLY 33 CO -0.10 0.58 0.61 -2.38 0.00 0.00 0.00 173.10 171.81 1i6f s HIS 34 N 1.65 0.15 -0.19 1.90 -3.43 -0.67 -2.84 115.29 111.85 1i6f s HIS 34 Ca 0.06 -0.58 -0.13 0.00 -0.80 0.00 0.00 55.06 53.61 1i6f s HIS 34 Cb -0.16 0.46 -0.05 0.00 -1.43 0.00 0.00 32.58 31.41 1i6f s HIS 34 CO 0.06 -1.16 0.28 0.00 -2.00 0.00 0.00 174.74 171.91 1i6f s TYR 36 N 0.78 -0.23 -1.48 0.00 6.14 -0.40 -4.87 117.35 117.29 1i6f s TYR 36 Ca 0.15 0.54 -0.11 0.00 0.64 0.00 0.00 57.07 58.28 1i6f s TYR 36 Cb -0.13 0.08 0.07 0.00 0.42 0.00 0.00 41.96 42.39 1i6f s TYR 36 CO 0.04 -0.15 0.86 0.00 0.64 0.00 0.00 175.55 176.94 1i6f n ALA 37 N 2.74 -1.20 -1.24 3.97 0.00 -1.26 0.17 120.51 123.68 1i6f n ALA 37 Ca -0.14 0.21 -0.09 0.00 0.00 0.00 0.00 53.44 53.42 1i6f n ALA 37 Cb 0.58 -4.19 -0.04 0.00 0.00 0.00 0.00 19.45 15.80 1i6f n ALA 37 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1i6f n MET 38 N -4.44 -1.75 -4.42 0.00 2.81 -1.26 -4.93 117.12 103.12 1i6f n MET 38 Ca 0.01 0.80 -0.20 0.00 -1.81 0.00 0.00 57.70 56.51 1i6f n MET 38 Cb 0.54 -5.21 -0.14 0.00 -0.71 0.00 0.00 33.22 27.70 1i6f n MET 38 CO 0.00 0.00 0.00 -1.12 1.51 0.00 0.00 175.97 176.36 1i6f s SER 39 N -2.28 1.31 0.36 7.83 0.01 0.13 -2.23 113.70 118.83 1i6f s SER 39 Ca 0.00 -0.26 -0.26 0.00 1.31 0.00 0.00 55.95 56.74 1i6f s SER 39 Cb 0.00 -0.12 -0.09 0.00 0.21 0.00 0.00 66.02 66.02 1i6f s SER 39 CO 0.00 0.10 1.14 0.00 0.41 0.00 0.00 173.24 174.88 1i6f s TYR 41 N -1.38 0.01 0.01 0.00 5.04 -0.66 -3.93 117.35 116.44 1i6f s TYR 41 Ca 0.53 0.24 0.03 0.00 -2.44 0.00 0.00 57.07 55.44 1i6f s TYR 41 Cb -0.30 -0.31 -0.03 0.00 0.35 0.00 0.00 41.96 41.66 1i6f s TYR 41 CO 0.38 -0.14 -0.07 0.00 -1.34 0.00 0.00 175.55 174.37 1i6f s GLU 43 N -1.42 2.45 0.00 0.00 2.12 0.23 -2.38 118.70 119.69 1i6f s GLU 43 Ca 0.17 -1.30 0.00 0.00 0.36 0.00 0.00 54.97 54.20 1i6f s GLU 43 Cb -0.11 -3.31 0.00 0.00 0.26 0.00 0.00 34.13 30.97 1i6f s GLU 43 CO 0.07 -0.68 0.00 0.41 -0.54 0.00 0.00 175.26 174.52 1i6f n GLY 44 N 4.68 1.40 3.49 -1.50 0.00 -1.04 0.81 105.19 113.03 1i6f n GLY 44 Ca -0.12 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.60 1i6f n GLY 44 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1i6f n LEU 45 N 0.00 -0.11 -4.79 0.99 4.77 0.32 -4.15 117.00 114.03 1i6f n LEU 45 Ca 0.00 0.06 -0.35 0.00 -0.03 0.00 0.00 56.01 55.69 1i6f n LEU 45 Cb 0.00 -1.27 -0.02 0.00 -2.33 0.00 0.00 43.42 39.80 1i6f n LEU 45 CO 0.00 -2.99 0.75 -2.16 -1.33 0.00 0.00 177.39 171.66 1i6f s PRO 46 N -4.23 3.70 0.30 3.23 0.04 -1.26 0.19 135.00 136.96 1i6f s PRO 46 Ca 0.65 1.48 0.20 0.00 0.04 0.00 0.00 61.00 63.37 1i6f s PRO 46 Cb -0.22 -2.13 1.10 0.00 0.04 0.00 0.00 34.50 33.29 1i6f s PRO 46 CO 0.64 -0.54 1.62 -1.91 0.04 0.00 0.00 177.00 176.85 1i6f n GLU 47 N -0.95 0.13 -0.54 4.56 2.13 -1.26 -0.84 120.64 123.87 1i6f n GLU 47 Ca 0.09 0.63 0.04 0.00 0.66 0.00 0.00 57.16 58.59 1i6f n GLU 47 Cb 0.51 -1.93 0.23 0.00 0.27 0.00 0.00 31.44 30.53 1i6f n GLU 47 CO 0.00 0.00 0.00 0.27 -0.41 0.00 0.00 177.13 176.99 1i6f n ASN 48 N -2.21 3.37 -4.81 4.31 0.23 -1.26 -5.02 115.26 109.87 1i6f n ASN 48 Ca -0.01 -3.25 -0.31 0.00 -0.53 0.00 0.00 54.58 50.47 1i6f n ASN 48 Cb 0.03 -0.57 0.05 0.00 -2.08 0.00 0.00 39.78 37.21 1i6f n ASN 48 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1i6f s ALA 49 N -2.96 2.61 -0.74 -2.53 0.00 -0.02 -4.98 121.76 113.14 1i6f s ALA 49 Ca 0.42 0.20 -0.16 0.00 0.00 0.00 0.00 51.96 52.42 1i6f s ALA 49 Cb 0.36 -3.21 0.16 0.00 0.00 0.00 0.00 23.12 20.43 1i6f s ALA 49 CO 0.06 -1.24 0.77 0.21 0.00 0.00 0.00 175.76 175.56 1i6f s LYS 50 N -4.79 3.35 0.23 0.00 2.47 -1.26 -5.01 119.74 114.74 1i6f s LYS 50 Ca 0.60 -1.91 0.00 0.00 -1.56 0.00 0.00 55.97 53.10 1i6f s LYS 50 Cb -0.15 -4.45 -0.05 0.00 -1.46 0.00 0.00 37.83 31.72 1i6f s LYS 50 CO 0.51 -1.45 0.11 0.14 0.16 0.00 0.00 175.35 174.82 1i6f s VAL 51 N 1.52 0.32 -0.04 4.02 -7.23 -1.25 -2.00 120.40 115.73 1i6f s VAL 51 Ca 0.16 -2.00 -0.18 0.00 -1.81 0.00 0.00 61.98 58.15 1i6f s VAL 51 Cb -0.16 -2.58 -0.05 0.00 0.56 0.00 0.00 36.38 34.15 1i6f s VAL 51 CO -0.03 0.00 0.50 -0.55 -0.31 0.00 0.00 175.10 174.71 1i6f s SER 52 N -3.25 6.82 -0.28 4.85 0.15 -0.81 -4.91 113.70 116.27 1i6f s SER 52 Ca 0.38 0.98 0.02 0.00 0.70 0.00 0.00 55.95 58.03 1i6f s SER 52 Cb 0.07 -2.30 0.40 0.00 -1.71 0.00 0.00 66.02 62.48 1i6f s SER 52 CO 0.13 0.13 1.58 -0.90 1.20 0.00 0.00 173.24 175.38 1i6f n ASP 53 N 2.80 3.62 -3.70 5.45 5.75 -1.26 -4.29 116.55 124.93 1i6f n ASP 53 Ca -0.09 -2.98 -0.11 0.00 -0.01 0.00 0.00 54.79 51.60 1i6f n ASP 53 Cb 0.52 -0.72 -0.11 0.00 -1.03 0.00 0.00 41.12 39.77 1i6f n ASP 53 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 1i6f s SER 54 N -0.38 -0.48 0.00 -1.12 1.04 -1.26 -5.01 113.70 106.49 1i6f s SER 54 Ca 0.35 0.85 0.16 0.00 0.48 0.00 0.00 55.95 57.79 1i6f s SER 54 Cb 0.29 0.74 0.98 0.00 0.10 0.00 0.00 66.02 68.13 1i6f s SER 54 CO 0.06 -0.18 1.60 0.00 0.98 0.00 0.00 173.24 175.70 1i6f n ALA 55 N 4.09 2.55 -3.21 5.32 0.00 -1.26 -4.01 120.51 123.99 1i6f n ALA 55 Ca -0.22 -0.10 -0.23 0.00 0.00 0.00 0.00 53.44 52.88 1i6f n ALA 55 Cb 0.55 -1.27 -0.06 0.00 0.00 0.00 0.00 19.45 18.68 1i6f n ALA 55 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1i6f n THR 56 N -0.77 0.35 -3.74 0.00 -1.04 -1.26 -5.10 114.28 102.71 1i6f n THR 56 Ca 0.12 -4.51 -0.21 0.00 -2.04 0.00 0.00 64.05 57.41 1i6f n THR 56 Cb 0.06 -1.55 -0.03 0.00 -1.82 0.00 0.00 70.33 66.98 1i6f n THR 56 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 1i6f s ASN 57 N -1.92 5.35 -0.20 8.00 4.22 -1.26 -5.11 114.94 124.02 1i6f s ASN 57 Ca 0.38 -0.48 -0.03 0.00 -2.14 0.00 0.00 52.86 50.59 1i6f s ASN 57 Cb 0.22 -0.96 0.06 0.00 1.28 0.00 0.00 41.25 41.85 1i6f s ASN 57 CO -0.09 -0.39 0.05 -0.63 -2.04 0.00 0.00 177.10 174.00 1i6f s ILE 58 N -2.31 0.43 -0.00 0.54 1.09 -1.26 -5.07 121.20 114.63 1i6f s ILE 58 Ca 0.42 -0.57 -0.29 0.00 -1.10 0.00 0.00 60.65 59.12 1i6f s ILE 58 Cb -0.06 -1.01 -0.03 0.00 -1.06 0.00 0.00 42.46 40.30 1i6f s ILE 58 CO 0.27 -0.27 0.93 0.00 -0.10 0.00 0.00 174.94 175.77