#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1h1j s SER 2 N 0.00 5.73 0.00 1.61 0.01 -1.26 -5.03 113.70 114.77 1h1j s SER 2 Ca 0.00 1.69 -0.15 0.00 1.31 0.00 0.00 55.95 58.80 1h1j s SER 2 Cb 0.00 -2.51 -0.06 0.00 0.21 0.00 0.00 66.02 63.66 1h1j s SER 2 CO 0.00 -1.20 0.42 0.00 0.41 0.00 0.00 173.24 172.87 1h1j s ALA 3 N -2.74 3.69 0.00 1.44 0.00 -1.26 -5.02 121.76 117.87 1h1j s ALA 3 Ca 0.60 -0.20 0.00 0.00 0.00 0.00 0.00 51.96 52.36 1h1j s ALA 3 Cb -0.14 -2.41 0.00 0.00 0.00 0.00 0.00 23.12 20.57 1h1j s ALA 3 CO 0.44 0.46 0.00 -0.40 0.00 0.00 0.00 175.76 176.27 1h1j n ASP 4 N 1.87 0.00 -0.24 0.00 5.75 -1.26 -4.87 116.55 117.80 1h1j n ASP 4 Ca -0.14 0.00 0.24 0.00 -0.01 0.00 0.00 54.79 54.89 1h1j n ASP 4 Cb 0.52 0.00 0.61 0.00 -1.03 0.00 0.00 41.12 41.22 1h1j n ASP 4 CO 0.00 0.00 0.00 1.88 -0.11 0.00 0.00 177.20 178.97 1h1j h TYR 5 N 0.00 0.31 0.00 2.11 0.05 -1.95 -3.36 116.97 114.13 1h1j h TYR 5 Ca 0.00 0.01 0.00 0.00 0.05 0.00 0.00 58.73 58.79 1h1j h TYR 5 Cb 0.00 -0.09 0.00 0.00 1.01 0.00 0.00 36.73 37.65 1h1j h TYR 5 CO 0.00 0.06 0.00 -1.13 -1.05 0.00 0.00 178.16 176.04 1h1j n SER 6 N -4.41 0.00 -2.69 3.88 3.41 -1.26 -1.39 113.62 111.16 1h1j n SER 6 Ca 0.20 0.00 -0.07 0.00 -0.26 0.00 0.00 58.87 58.74 1h1j n SER 6 Cb 0.87 0.00 0.10 0.00 -0.26 0.00 0.00 64.21 64.91 1h1j n SER 6 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1h1j n SER 7 N 0.00 -0.95 -4.17 4.04 2.88 -1.26 -4.88 113.62 109.27 1h1j n SER 7 Ca 0.00 -2.50 -0.29 0.00 -1.33 0.00 0.00 58.87 54.75 1h1j n SER 7 Cb 0.00 0.57 0.25 0.00 -0.75 0.00 0.00 64.21 64.29 1h1j n SER 7 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 1h1j s LEU 8 N -3.25 0.31 0.60 2.46 1.43 -0.48 -4.95 118.68 114.79 1h1j s LEU 8 Ca 0.23 1.19 -0.15 0.00 -1.03 0.00 0.00 54.13 54.37 1h1j s LEU 8 Cb 0.42 -2.97 -0.03 0.00 0.03 0.00 0.00 46.19 43.63 1h1j s LEU 8 CO -0.06 -4.43 1.05 -0.89 0.23 0.00 0.00 176.35 172.25 1h1j s THR 9 N -2.52 3.86 0.57 5.49 2.01 -1.26 -4.70 115.64 119.09 1h1j s THR 9 Ca 0.68 0.86 0.30 0.00 0.31 0.00 0.00 61.69 63.84 1h1j s THR 9 Cb -0.20 -3.40 0.43 0.00 0.01 0.00 0.00 72.50 69.34 1h1j s THR 9 CO 0.61 -0.54 1.87 0.58 -0.69 0.00 0.00 174.62 176.45 1h1j h VAL 10 N 0.37 0.44 -0.25 3.82 2.07 -1.94 0.14 116.25 120.89 1h1j h VAL 10 Ca -0.47 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 66.99 1h1j h VAL 10 Cb 1.22 0.56 -0.01 0.00 -1.52 0.00 0.00 31.29 31.54 1h1j h VAL 10 CO 0.58 0.00 -0.10 0.58 0.02 0.00 0.00 177.57 178.65 1h1j h VAL 11 N 0.00 1.29 -0.19 2.57 2.07 -1.99 -1.12 116.25 118.89 1h1j h VAL 11 Ca 0.32 -1.16 -0.15 0.00 0.82 0.00 0.00 66.70 66.54 1h1j h VAL 11 Cb 1.49 1.52 0.00 0.00 -1.52 0.00 0.00 31.29 32.78 1h1j h VAL 11 CO -0.00 0.36 -0.46 1.56 0.02 0.00 0.00 177.57 179.05 1h1j h GLN 12 N 0.25 0.64 -0.67 1.57 1.08 -1.13 -0.18 115.11 116.67 1h1j h GLN 12 Ca 0.06 -0.44 0.06 0.00 -1.45 0.00 0.00 58.65 56.87 1h1j h GLN 12 Cb 0.59 0.07 -0.05 0.00 -0.05 0.00 0.00 27.48 28.03 1h1j h GLN 12 CO 0.03 1.06 0.37 -0.07 -0.95 0.00 0.00 178.83 179.28 1h1j h LEU 13 N 0.33 0.56 -0.99 1.46 3.38 -1.17 0.15 115.31 119.03 1h1j h LEU 13 Ca -0.00 0.03 -0.10 0.00 0.09 0.00 0.00 57.88 57.89 1h1j h LEU 13 Cb 1.07 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.73 1h1j h LEU 13 CO 0.10 0.36 -0.40 0.11 0.09 0.00 0.00 178.44 178.71 1h1j h LYS 14 N 0.69 0.21 -0.02 1.13 1.79 -1.11 -1.90 116.57 117.37 1h1j h LYS 14 Ca 0.30 -0.10 -0.01 0.00 -2.18 0.00 0.00 60.65 58.67 1h1j h LYS 14 Cb 0.18 -0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 30.82 1h1j h LYS 14 CO -0.18 0.58 -0.01 -0.44 -1.08 0.00 0.00 179.45 178.33 1h1j h ASP 15 N 0.18 0.04 -0.41 0.86 5.19 0.10 0.14 116.42 122.53 1h1j h ASP 15 Ca 0.02 -0.38 -0.04 0.00 -0.62 0.00 0.00 57.03 56.01 1h1j h ASP 15 Cb 0.78 -0.01 -0.02 0.00 0.18 0.00 0.00 39.33 40.27 1h1j h ASP 15 CO 0.06 0.41 0.10 0.17 -3.12 0.00 0.00 179.24 176.86 1h1j h LEU 16 N -0.32 0.62 -1.15 1.55 -0.00 -0.79 -1.37 115.31 113.84 1h1j h LEU 16 Ca 0.01 -0.23 -0.06 0.00 -0.00 0.00 0.00 57.88 57.60 1h1j h LEU 16 Cb 0.39 -0.16 -0.02 0.00 -0.00 0.00 0.00 40.66 40.87 1h1j h LEU 16 CO 0.00 0.69 -0.03 -0.07 -0.00 0.00 0.00 178.44 179.03 1h1j h LEU 17 N 0.52 0.52 -0.49 0.17 3.38 -1.34 0.44 115.31 118.50 1h1j h LEU 17 Ca 0.13 -0.11 -0.02 0.00 0.09 0.00 0.00 57.88 57.97 1h1j h LEU 17 Cb 0.31 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.90 1h1j h LEU 17 CO 0.00 0.62 0.23 0.74 0.09 0.00 0.00 178.44 180.12 1h1j h THR 18 N 0.52 1.19 0.00 0.22 2.02 -0.32 -0.17 112.91 116.38 1h1j h THR 18 Ca 0.11 -0.55 0.00 0.00 0.77 0.00 0.00 66.41 66.74 1h1j h THR 18 Cb 0.39 0.65 0.00 0.00 -1.74 0.00 0.00 68.15 67.44 1h1j h THR 18 CO 0.02 0.22 0.00 1.17 0.37 0.00 0.00 175.52 177.29 1h1j n LYS 19 N -4.61 0.23 -0.18 6.66 3.00 -0.55 -3.01 118.16 119.71 1h1j n LYS 19 Ca 0.02 0.24 0.05 0.00 -0.00 0.00 0.00 58.31 58.61 1h1j n LYS 19 Cb 0.12 -1.80 0.14 0.00 0.00 0.00 0.00 35.03 33.49 1h1j n LYS 19 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.40 175.27 1h1j n ARG 20 N -2.21 1.80 -1.67 1.64 0.63 0.15 -4.84 116.66 112.16 1h1j n ARG 20 Ca 0.05 -1.12 -0.21 0.00 -0.92 0.00 0.00 57.85 55.65 1h1j n ARG 20 Cb 0.39 -1.29 -0.08 0.00 0.45 0.00 0.00 32.46 31.92 1h1j n ARG 20 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 1h1j n ASN 21 N 0.38 -5.53 -3.49 6.15 3.02 -1.12 -4.91 115.26 109.77 1h1j n ASN 21 Ca 0.10 0.47 -0.12 0.00 -0.03 0.00 0.00 54.58 55.00 1h1j n ASN 21 Cb 0.30 -4.82 -0.11 0.00 -0.61 0.00 0.00 39.78 34.54 1h1j n ASN 21 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 1h1j s LEU 22 N -4.82 -0.43 0.81 3.41 1.98 -0.17 -5.05 118.68 114.41 1h1j s LEU 22 Ca 0.00 0.27 -0.10 0.00 -2.89 0.00 0.00 54.13 51.41 1h1j s LEU 22 Cb 0.00 0.87 0.12 0.00 0.66 0.00 0.00 46.19 47.84 1h1j s LEU 22 CO 0.00 -0.29 1.15 -0.44 -1.89 0.00 0.00 176.35 174.88 1h1j s SER 23 N 2.47 4.12 -0.56 3.68 0.01 -1.23 -3.58 113.70 118.60 1h1j s SER 23 Ca 0.07 0.34 -0.03 0.00 1.31 0.00 0.00 55.95 57.65 1h1j s SER 23 Cb -0.14 -0.72 0.15 0.00 0.21 0.00 0.00 66.02 65.51 1h1j s SER 23 CO -0.13 -2.08 0.37 0.68 0.41 0.00 0.00 173.24 172.49 1h1j s VAL 24 N -3.52 3.56 -0.37 3.43 -7.23 -1.26 -4.95 120.40 110.05 1h1j s VAL 24 Ca 0.66 -2.74 -0.21 0.00 -1.81 0.00 0.00 61.98 57.88 1h1j s VAL 24 Cb -0.08 -3.35 0.01 0.00 0.56 0.00 0.00 36.38 33.52 1h1j s VAL 24 CO 0.48 -0.83 0.69 -0.83 -0.31 0.00 0.00 175.10 174.30 1h1j s GLY 25 N 0.95 1.71 0.00 2.32 0.00 -1.26 -4.84 107.32 106.20 1h1j s GLY 25 Ca 0.15 -0.84 0.00 0.00 0.00 0.00 0.00 44.72 44.03 1h1j s GLY 25 CO -0.03 1.59 0.00 0.61 0.00 0.00 0.00 173.10 175.26 1h1j n GLY 26 N 4.69 1.54 3.47 0.20 0.00 -1.26 -4.85 105.19 108.97 1h1j n GLY 26 Ca 0.00 -1.60 -0.31 0.00 0.00 0.00 0.00 46.02 44.11 1h1j n GLY 26 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1h1j s LEU 27 N 0.00 -0.14 0.20 0.99 2.34 -1.26 -4.47 118.68 116.34 1h1j s LEU 27 Ca 0.00 0.62 -0.11 0.00 0.06 0.00 0.00 54.13 54.70 1h1j s LEU 27 Cb 0.00 -2.17 0.26 0.00 -0.56 0.00 0.00 46.19 43.72 1h1j s LEU 27 CO 0.00 -4.75 1.70 0.50 -1.06 0.00 0.00 176.35 172.75 1h1j h LYS 28 N -3.01 0.23 -0.70 1.48 1.63 -1.99 0.12 116.57 114.34 1h1j h LYS 28 Ca -0.42 -0.01 -0.05 0.00 -0.85 0.00 0.00 60.65 59.31 1h1j h LYS 28 Cb 1.30 -0.05 -0.03 0.00 -0.60 0.00 0.00 32.23 32.85 1h1j h LYS 28 CO 0.28 0.15 0.22 -0.91 -3.45 0.00 0.00 179.45 175.74 1h1j h ASN 29 N 0.24 1.00 -0.93 4.20 4.21 -1.99 -1.17 115.58 121.13 1h1j h ASN 29 Ca 0.29 -0.18 0.06 0.00 1.21 0.00 0.00 56.30 57.69 1h1j h ASN 29 Cb 0.43 -0.26 -0.06 0.00 -1.12 0.00 0.00 38.32 37.31 1h1j h ASN 29 CO -0.39 0.93 0.61 -0.33 -1.29 0.00 0.00 177.43 176.96 1h1j h GLU 30 N 1.03 1.05 -0.26 0.81 4.39 -1.17 0.36 114.58 120.80 1h1j h GLU 30 Ca 0.23 -0.06 -0.00 0.00 0.34 0.00 0.00 59.36 59.86 1h1j h GLU 30 Cb 0.29 -0.24 -0.01 0.00 -0.10 0.00 0.00 28.75 28.69 1h1j h GLU 30 CO -0.01 0.70 0.15 -0.07 -1.16 0.00 0.00 179.01 178.62 1h1j h LEU 31 N 1.08 0.31 -0.52 1.33 -0.00 0.27 0.37 115.31 118.15 1h1j h LEU 31 Ca 0.40 -0.06 0.01 0.00 -0.00 0.00 0.00 57.88 58.22 1h1j h LEU 31 Cb 0.17 -0.08 -0.03 0.00 -0.00 0.00 0.00 40.66 40.72 1h1j h LEU 31 CO -0.15 0.28 0.34 1.62 -0.00 0.00 0.00 178.44 180.54 1h1j h VAL 32 N 0.31 1.13 -0.36 1.22 3.04 -0.07 -1.24 116.25 120.27 1h1j h VAL 32 Ca 0.09 -0.24 -0.09 0.00 -1.01 0.00 0.00 66.70 65.45 1h1j h VAL 32 Cb 0.03 0.36 -0.02 0.00 -2.01 0.00 0.00 31.29 29.66 1h1j h VAL 32 CO -0.02 0.13 -0.14 1.56 -1.01 0.00 0.00 177.57 178.09 1h1j h GLN 33 N 0.70 0.64 -0.23 4.17 1.08 0.14 -1.71 115.11 119.91 1h1j h GLN 33 Ca 0.19 -0.21 -0.08 0.00 -1.45 0.00 0.00 58.65 57.10 1h1j h GLN 33 Cb -0.07 -0.06 -0.00 0.00 -0.05 0.00 0.00 27.48 27.30 1h1j h GLN 33 CO -0.05 0.76 -0.17 -0.09 -0.95 0.00 0.00 178.83 178.33 1h1j h ARG 34 N 0.58 0.52 -0.03 1.46 2.43 0.26 0.39 114.38 119.99 1h1j h ARG 34 Ca 0.10 -0.25 -0.01 0.00 -0.81 0.00 0.00 59.98 59.00 1h1j h ARG 34 Cb 0.57 -0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.12 1h1j h ARG 34 CO 0.04 0.82 -0.04 -0.07 -1.51 0.00 0.00 179.97 179.21 1h1j h LEU 35 N 0.22 0.09 -0.52 3.80 3.38 -1.17 0.05 115.31 121.16 1h1j h LEU 35 Ca 0.04 -0.50 -0.15 0.00 0.09 0.00 0.00 57.88 57.37 1h1j h LEU 35 Cb 0.70 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.42 1h1j h LEU 35 CO 0.05 0.57 -0.39 0.40 0.09 0.00 0.00 178.44 179.16 1h1j h ILE 36 N -0.39 1.28 -0.31 1.22 2.04 -1.39 0.30 117.51 120.27 1h1j h ILE 36 Ca 0.00 -1.57 -0.15 0.00 1.00 0.00 0.00 64.86 64.15 1h1j h ILE 36 Cb 0.55 1.45 -0.01 0.00 -0.74 0.00 0.00 36.82 38.08 1h1j h ILE 36 CO 0.01 0.51 -0.41 0.50 0.00 0.00 0.00 178.15 178.76 1h1j h LYS 37 N 0.63 0.75 -0.20 2.37 3.64 -0.96 -2.55 116.57 120.25 1h1j h LYS 37 Ca 0.05 -0.39 -0.19 0.00 -1.27 0.00 0.00 60.65 58.84 1h1j h LYS 37 Cb 0.95 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.78 1h1j h LYS 37 CO 0.09 1.02 -0.65 0.22 -2.27 0.00 0.00 179.45 177.85 1h1j h ASP 38 N 0.61 0.85 -0.71 4.20 3.58 -0.80 -3.20 116.42 120.94 1h1j h ASP 38 Ca 0.05 -0.50 -0.02 0.00 0.42 0.00 0.00 57.03 56.98 1h1j h ASP 38 Cb 0.96 -0.25 -0.03 0.00 1.72 0.00 0.00 39.33 41.73 1h1j h ASP 38 CO 0.09 1.28 0.35 -2.24 -2.88 0.00 0.00 179.24 175.84 1h1j h ASP 39 N 0.54 0.91 -0.34 2.28 3.04 -0.32 -1.79 116.42 120.75 1h1j h ASP 39 Ca -0.02 -0.12 0.10 0.00 -3.24 0.00 0.00 57.03 53.75 1h1j h ASP 39 Cb 1.25 -0.23 -0.01 0.00 -1.04 0.00 0.00 39.33 39.29 1h1j h ASP 39 CO 0.13 0.78 0.30 -0.33 -2.04 0.00 0.00 179.24 178.08 1h1j h GLU 40 N 0.98 0.00 -1.36 4.15 5.08 -1.45 -1.99 114.58 119.99 1h1j h GLU 40 Ca 0.24 0.00 -0.59 0.00 -1.00 0.00 0.00 59.36 58.02 1h1j h GLU 40 Cb 0.10 0.00 -0.42 0.00 0.50 0.00 0.00 28.75 28.93 1h1j h GLU 40 CO -0.03 0.00 -0.67 -0.85 -1.00 0.00 0.00 179.01 176.46 1h1j n GLU 41 N -4.07 3.44 0.00 2.33 0.28 -0.70 -4.86 120.64 117.06 1h1j n GLU 41 Ca 0.05 -4.38 0.00 0.00 -0.16 0.00 0.00 57.16 52.67 1h1j n GLU 41 Cb 0.46 -2.26 0.00 0.00 1.43 0.00 0.00 31.44 31.08 1h1j n GLU 41 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 1h1j n SER 42 N -0.54 0.00 0.00 -1.84 2.88 -0.75 -4.99 113.62 108.37 1h1j n SER 42 Ca 0.41 0.20 0.00 0.00 -1.33 0.00 0.00 58.87 58.15 1h1j n SER 42 Cb 0.72 -0.28 0.00 0.00 -0.75 0.00 0.00 64.21 63.90 1h1j n SER 42 CO 0.00 0.00 0.00 2.29 -1.23 0.00 0.00 175.04 176.10 1h1j n LYS 43 N -1.54 0.00 0.00 -1.46 2.85 -1.26 -5.12 118.16 111.63 1h1j n LYS 43 Ca 0.00 0.00 0.05 0.00 -1.05 0.00 0.00 58.31 57.31 1h1j n LYS 43 Cb 0.00 0.00 0.04 0.00 -0.65 0.00 0.00 35.03 34.42 1h1j n LYS 43 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76