#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1h1j n SER 2 N 0.00 -6.03 -3.80 1.61 3.41 -1.26 -4.99 113.62 102.57 1h1j n SER 2 Ca 0.00 -0.23 -0.14 0.00 -0.26 0.00 0.00 58.87 58.23 1h1j n SER 2 Cb 0.00 -2.74 -0.15 0.00 -0.26 0.00 0.00 64.21 61.06 1h1j n SER 2 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1h1j s ALA 3 N -2.24 0.05 0.00 7.33 0.00 -1.26 -5.09 121.76 120.54 1h1j s ALA 3 Ca 0.22 0.24 0.00 0.00 0.00 0.00 0.00 51.96 52.42 1h1j s ALA 3 Cb -0.03 -0.19 0.00 0.00 0.00 0.00 0.00 23.12 22.90 1h1j s ALA 3 CO 0.85 -0.08 0.00 -0.40 0.00 0.00 0.00 175.76 176.13 1h1j n ASP 4 N 3.88 0.00 0.08 0.00 5.75 -1.26 -4.85 116.55 120.16 1h1j n ASP 4 Ca -0.24 0.00 0.20 0.00 -0.01 0.00 0.00 54.79 54.75 1h1j n ASP 4 Cb 0.53 0.00 0.68 0.00 -1.03 0.00 0.00 41.12 41.30 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 0.00 0.00 2.11 0.05 -1.97 -3.31 116.97 113.85 1h1j h TYR 5 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 1h1j h TYR 5 Cb 0.00 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.74 1h1j h TYR 5 CO 0.00 0.00 0.00 0.43 -1.05 0.00 0.00 178.16 177.54 1h1j n SER 6 N -3.47 0.00 -2.71 3.88 7.64 -1.26 -1.62 113.62 116.08 1h1j n SER 6 Ca 0.08 0.00 -0.04 0.00 1.01 0.00 0.00 58.87 59.92 1h1j n SER 6 Cb 0.75 0.00 0.10 0.00 -1.01 0.00 0.00 64.21 64.05 1h1j n SER 6 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1h1j n SER 7 N -2.15 -0.69 -4.84 6.43 7.64 -1.25 -5.02 113.62 113.74 1h1j n SER 7 Ca 0.00 -2.32 -0.32 0.00 1.01 0.00 0.00 58.87 57.24 1h1j n SER 7 Cb 0.00 0.43 0.01 0.00 -1.01 0.00 0.00 64.21 63.63 1h1j n SER 7 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1h1j s LEU 8 N -3.67 3.36 0.75 -3.43 1.43 -0.64 -5.02 118.68 111.46 1h1j s LEU 8 Ca 0.18 1.57 -0.11 0.00 -1.03 0.00 0.00 54.13 54.74 1h1j s LEU 8 Cb 0.41 -4.50 0.04 0.00 0.03 0.00 0.00 46.19 42.18 1h1j s LEU 8 CO -0.08 -0.96 1.08 0.42 0.23 0.00 0.00 176.35 177.04 1h1j s THR 9 N -2.87 3.51 0.57 5.49 -4.23 -1.26 -4.62 115.64 112.23 1h1j s THR 9 Ca 0.58 0.49 0.30 0.00 -1.18 0.00 0.00 61.69 61.88 1h1j s THR 9 Cb -0.12 -3.27 0.43 0.00 1.34 0.00 0.00 72.50 70.88 1h1j s THR 9 CO 0.45 -0.64 1.83 -0.37 -0.54 0.00 0.00 174.62 175.35 1h1j h VAL 10 N -0.89 0.37 -0.19 2.29 -1.51 -1.95 0.11 116.25 114.48 1h1j h VAL 10 Ca -0.46 0.00 -0.04 0.00 -1.23 0.00 0.00 66.70 64.97 1h1j h VAL 10 Cb 1.24 0.52 -0.01 0.00 -2.13 0.00 0.00 31.29 30.92 1h1j h VAL 10 CO 0.59 0.00 -0.04 0.58 -1.23 0.00 0.00 177.57 177.47 1h1j h VAL 11 N 0.00 1.28 -0.11 7.19 2.07 -1.98 0.22 116.25 124.92 1h1j h VAL 11 Ca 0.33 -0.99 -0.12 0.00 0.82 0.00 0.00 66.70 66.74 1h1j h VAL 11 Cb 1.59 1.54 0.00 0.00 -1.52 0.00 0.00 31.29 32.91 1h1j h VAL 11 CO -0.00 0.30 -0.42 1.56 0.02 0.00 0.00 177.57 179.03 1h1j h GLN 12 N 0.09 0.48 -0.93 1.57 1.08 -1.19 -0.29 115.11 115.92 1h1j h GLN 12 Ca 0.05 -0.37 0.07 0.00 -1.45 0.00 0.00 58.65 56.95 1h1j h GLN 12 Cb 0.47 0.07 -0.07 0.00 -0.05 0.00 0.00 27.48 27.90 1h1j h GLN 12 CO 0.02 0.99 0.59 -0.07 -0.95 0.00 0.00 178.83 179.41 1h1j h LEU 13 N 0.06 0.93 -0.88 1.46 3.38 -1.08 0.11 115.31 119.30 1h1j h LEU 13 Ca -0.02 0.01 -0.11 0.00 0.09 0.00 0.00 57.88 57.85 1h1j h LEU 13 Cb 1.05 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.61 1h1j h LEU 13 CO 0.09 0.59 -0.42 0.50 0.09 0.00 0.00 178.44 179.29 1h1j h LYS 14 N 1.07 0.30 0.00 1.13 3.64 -0.46 -1.90 116.57 120.35 1h1j h LYS 14 Ca 0.41 -0.15 -0.00 0.00 -1.27 0.00 0.00 60.65 59.64 1h1j h LYS 14 Cb 0.18 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.00 1h1j h LYS 14 CO -0.18 0.67 -0.00 0.22 -2.27 0.00 0.00 179.45 177.89 1h1j h ASP 15 N 0.25 -0.00 -0.45 4.20 1.82 0.99 0.46 116.42 123.69 1h1j h ASP 15 Ca 0.02 -0.34 -0.01 0.00 -0.39 0.00 0.00 57.03 56.31 1h1j h ASP 15 Cb 0.84 0.00 -0.02 0.00 0.68 0.00 0.00 39.33 40.83 1h1j h ASP 15 CO 0.07 0.34 0.24 0.17 -1.61 0.00 0.00 179.24 178.45 1h1j h LEU 16 N -0.35 0.57 -0.88 2.28 -0.00 -1.04 -1.31 115.31 114.57 1h1j h LEU 16 Ca -0.00 -0.10 -0.11 0.00 -0.00 0.00 0.00 57.88 57.67 1h1j h LEU 16 Cb 0.34 -0.14 -0.01 0.00 -0.00 0.00 0.00 40.66 40.85 1h1j h LEU 16 CO 0.00 0.50 -0.37 -0.07 -0.00 0.00 0.00 178.44 178.50 1h1j h LEU 17 N 0.59 0.38 -0.67 0.17 3.38 -1.30 0.38 115.31 118.23 1h1j h LEU 17 Ca 0.16 -0.15 0.01 0.00 0.09 0.00 0.00 57.88 57.99 1h1j h LEU 17 Cb 0.07 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 40.67 1h1j h LEU 17 CO -0.02 0.73 0.44 0.74 0.09 0.00 0.00 178.44 180.41 1h1j h THR 18 N 0.31 1.15 0.00 0.22 2.02 0.43 0.36 112.91 117.40 1h1j h THR 18 Ca 0.03 -0.30 0.00 0.00 0.77 0.00 0.00 66.41 66.91 1h1j h THR 18 Cb 0.80 0.19 0.00 0.00 -1.74 0.00 0.00 68.15 67.39 1h1j h THR 18 CO 0.06 0.16 0.00 0.11 0.37 0.00 0.00 175.52 176.22 1h1j h LYS 19 N 0.89 0.00 -0.00 6.66 1.57 -0.78 -3.08 116.57 121.82 1h1j h LYS 19 Ca 0.25 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.03 1h1j h LYS 19 Cb -0.07 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.24 1h1j h LYS 19 CO -0.07 0.00 -0.22 -2.13 -0.57 0.00 0.00 179.45 176.47 1h1j n ARG 20 N -2.55 0.63 -1.57 3.15 0.63 0.13 -4.89 116.66 112.19 1h1j n ARG 20 Ca 0.05 -0.31 -0.11 0.00 -0.92 0.00 0.00 57.85 56.56 1h1j n ARG 20 Cb 0.44 -1.49 -0.03 0.00 0.45 0.00 0.00 32.46 31.83 1h1j n ARG 20 CO 0.00 0.00 0.00 -1.71 -2.51 0.00 0.00 177.63 173.41 1h1j n ASN 21 N -0.92 -4.08 -3.21 6.15 5.15 -0.22 -4.93 115.26 113.20 1h1j n ASN 21 Ca 0.12 0.19 -0.20 0.00 -0.60 0.00 0.00 54.58 54.09 1h1j n ASN 21 Cb 0.32 -2.76 -0.07 0.00 -0.53 0.00 0.00 39.78 36.74 1h1j n ASN 21 CO 0.00 0.00 0.00 -0.22 1.40 0.00 0.00 177.26 178.44 1h1j s LEU 22 N -2.64 0.51 0.00 1.20 1.98 -0.51 -5.05 118.68 114.17 1h1j s LEU 22 Ca 0.00 -2.60 -0.07 0.00 -2.89 0.00 0.00 54.13 48.58 1h1j s LEU 22 Cb 0.00 0.28 0.10 0.00 0.66 0.00 0.00 46.19 47.23 1h1j s LEU 22 CO 0.00 -0.14 0.23 -1.20 -1.89 0.00 0.00 176.35 173.34 1h1j n SER 23 N 2.97 -2.20 -3.53 3.68 7.64 -1.25 -4.51 113.62 116.44 1h1j n SER 23 Ca 0.25 -0.23 -0.28 0.00 1.01 0.00 0.00 58.87 59.62 1h1j n SER 23 Cb 0.50 -0.48 -0.08 0.00 -1.01 0.00 0.00 64.21 63.14 1h1j n SER 23 CO 0.00 0.00 0.00 1.33 -3.01 0.00 0.00 175.04 173.36 1h1j n VAL 24 N -3.56 2.35 -2.00 0.44 0.24 -1.26 -4.93 118.33 109.60 1h1j n VAL 24 Ca 0.04 -5.19 -0.43 0.00 -2.04 0.00 0.00 64.34 56.72 1h1j n VAL 24 Cb 0.16 -2.12 -0.03 0.00 -1.47 0.00 0.00 33.84 30.38 1h1j n VAL 24 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1h1j s GLY 25 N -2.27 1.23 0.00 7.63 0.00 -1.26 -4.71 107.32 107.94 1h1j s GLY 25 Ca 0.37 0.67 0.00 0.00 0.00 0.00 0.00 44.72 45.76 1h1j s GLY 25 CO -0.04 3.13 0.00 0.61 0.00 0.00 0.00 173.10 176.81 1h1j n GLY 26 N 4.66 2.86 3.44 0.20 0.00 -1.26 -4.80 105.19 110.29 1h1j n GLY 26 Ca 0.20 -1.76 -0.31 0.00 0.00 0.00 0.00 46.02 44.15 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 -0.30 0.18 0.99 2.34 -1.26 -4.50 118.68 116.13 1h1j s LEU 27 Ca 0.00 0.64 -0.14 0.00 0.06 0.00 0.00 54.13 54.69 1h1j s LEU 27 Cb 0.00 -2.16 0.15 0.00 -0.56 0.00 0.00 46.19 43.62 1h1j s LEU 27 CO 0.00 -4.85 1.70 0.50 -1.06 0.00 0.00 176.35 172.64 1h1j h LYS 28 N -3.08 0.15 -0.74 1.48 1.63 -1.99 0.85 116.57 114.87 1h1j h LYS 28 Ca -0.42 -0.01 -0.04 0.00 -0.85 0.00 0.00 60.65 59.33 1h1j h LYS 28 Cb 1.31 -0.03 -0.03 0.00 -0.60 0.00 0.00 32.23 32.87 1h1j h LYS 28 CO 0.28 0.10 0.28 -0.91 -3.45 0.00 0.00 179.45 175.74 1h1j h ASN 29 N 0.15 1.02 -0.97 4.20 2.35 -1.98 -0.86 115.58 119.48 1h1j h ASN 29 Ca 0.22 -0.16 0.09 0.00 -0.55 0.00 0.00 56.30 55.90 1h1j h ASN 29 Cb 0.31 -0.26 -0.07 0.00 0.05 0.00 0.00 38.32 38.35 1h1j h ASN 29 CO -0.34 0.91 0.63 -0.33 -1.65 0.00 0.00 177.43 176.64 1h1j h GLU 30 N 1.07 1.03 -0.20 0.81 4.39 -1.31 0.28 114.58 120.65 1h1j h GLU 30 Ca 0.25 -0.06 -0.00 0.00 0.34 0.00 0.00 59.36 59.88 1h1j h GLU 30 Cb 0.22 -0.23 -0.01 0.00 -0.10 0.00 0.00 28.75 28.63 1h1j h GLU 30 CO -0.02 0.68 0.12 -0.07 -1.16 0.00 0.00 179.01 178.56 1h1j h LEU 31 N 1.06 0.25 -0.76 1.33 3.38 0.43 0.46 115.31 121.46 1h1j h LEU 31 Ca 0.44 -0.06 0.09 0.00 0.09 0.00 0.00 57.88 58.44 1h1j h LEU 31 Cb 0.30 -0.06 -0.07 0.00 0.09 0.00 0.00 40.66 40.92 1h1j h LEU 31 CO -0.20 0.24 0.42 1.62 0.09 0.00 0.00 178.44 180.61 1h1j h VAL 32 N 0.24 0.91 -0.35 1.22 3.04 0.05 -0.30 116.25 121.06 1h1j h VAL 32 Ca 0.07 -0.25 -0.11 0.00 -1.01 0.00 0.00 66.70 65.41 1h1j h VAL 32 Cb 0.04 0.13 -0.01 0.00 -2.01 0.00 0.00 31.29 29.43 1h1j h VAL 32 CO -0.01 0.13 -0.22 1.56 -1.01 0.00 0.00 177.57 178.02 1h1j h GLN 33 N 0.72 0.67 -0.21 4.17 1.08 0.41 -1.64 115.11 120.30 1h1j h GLN 33 Ca 0.36 -0.26 -0.09 0.00 -1.45 0.00 0.00 58.65 57.21 1h1j h GLN 33 Cb 0.32 -0.04 -0.00 0.00 -0.05 0.00 0.00 27.48 27.71 1h1j h GLN 33 CO -0.24 0.84 -0.22 -0.09 -0.95 0.00 0.00 178.83 178.17 1h1j h ARG 34 N 0.59 0.53 -0.07 1.46 2.43 0.14 0.11 114.38 119.56 1h1j h ARG 34 Ca 0.09 -0.28 -0.04 0.00 -0.81 0.00 0.00 59.98 58.94 1h1j h ARG 34 Cb 0.69 0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 30.25 1h1j h ARG 34 CO 0.05 0.86 -0.10 -0.07 -1.51 0.00 0.00 179.97 179.20 1h1j h LEU 35 N 0.21 0.21 -0.31 3.80 3.38 -1.11 -0.27 115.31 121.22 1h1j h LEU 35 Ca 0.03 -0.52 -0.18 0.00 0.09 0.00 0.00 57.88 57.30 1h1j h LEU 35 Cb 0.77 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.46 1h1j h LEU 35 CO 0.05 0.70 -0.54 0.40 0.09 0.00 0.00 178.44 179.14 1h1j h ILE 36 N -0.26 1.27 -0.27 1.22 2.04 -1.37 0.12 117.51 120.26 1h1j h ILE 36 Ca 0.01 -1.72 -0.16 0.00 1.00 0.00 0.00 64.86 63.99 1h1j h ILE 36 Cb 0.65 1.61 -0.01 0.00 -0.74 0.00 0.00 36.82 38.33 1h1j h ILE 36 CO 0.02 0.56 -0.46 0.50 0.00 0.00 0.00 178.15 178.78 1h1j h LYS 37 N 0.67 0.72 -0.13 2.37 3.11 -0.84 -1.31 116.57 121.17 1h1j h LYS 37 Ca 0.02 -0.40 -0.10 0.00 -2.81 0.00 0.00 60.65 57.36 1h1j h LYS 37 Cb 1.14 0.03 0.00 0.00 -1.00 0.00 0.00 32.23 32.40 1h1j h LYS 37 CO 0.12 1.02 -0.30 0.22 -2.81 0.00 0.00 179.45 177.70 1h1j h ASP 38 N 0.57 0.49 -0.13 4.20 3.58 -0.97 0.01 116.42 124.17 1h1j h ASP 38 Ca 0.03 -0.58 -0.02 0.00 0.42 0.00 0.00 57.03 56.89 1h1j h ASP 38 Cb 1.01 -0.14 -0.00 0.00 1.72 0.00 0.00 39.33 41.92 1h1j h ASP 38 CO 0.10 0.97 0.01 -2.24 -2.88 0.00 0.00 179.24 175.20 1h1j h ASP 39 N 0.02 0.22 -0.11 2.28 2.03 -0.75 -3.07 116.42 117.04 1h1j h ASP 39 Ca -0.00 -0.29 -0.12 0.00 -0.73 0.00 0.00 57.03 55.89 1h1j h ASP 39 Cb 0.91 -0.06 -0.01 0.00 -0.83 0.00 0.00 39.33 39.34 1h1j h ASP 39 CO 0.07 0.45 -0.31 -0.08 -1.03 0.00 0.00 179.24 178.34 1h1j h GLU 40 N -0.03 0.59 0.00 4.15 4.81 -1.31 -3.45 114.58 119.34 1h1j h GLU 40 Ca 0.04 -0.26 0.00 0.00 -0.13 0.00 0.00 59.36 59.01 1h1j h GLU 40 Cb 0.34 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.70 1h1j h GLU 40 CO 0.01 0.83 0.00 -1.91 -0.73 0.00 0.00 179.01 177.20 1h1j n GLU 41 N -4.08 0.00 -1.63 1.92 2.13 -0.01 -4.45 120.64 114.53 1h1j n GLU 41 Ca -0.01 0.00 -0.30 0.00 0.66 0.00 0.00 57.16 57.52 1h1j n GLU 41 Cb 0.46 0.00 0.18 0.00 0.27 0.00 0.00 31.44 32.35 1h1j n GLU 41 CO 0.00 0.00 0.00 -1.54 -0.41 0.00 0.00 177.13 175.18 1h1j s SER 42 N -4.00 2.77 -0.41 4.31 1.04 -1.26 -5.01 113.70 111.15 1h1j s SER 42 Ca 0.00 0.55 0.11 0.00 0.48 0.00 0.00 55.95 57.10 1h1j s SER 42 Cb 0.00 -0.80 0.39 0.00 0.10 0.00 0.00 66.02 65.71 1h1j s SER 42 CO 0.00 -2.97 0.88 0.29 0.98 0.00 0.00 173.24 172.42 1h1j n LYS 43 N -3.98 1.77 0.00 4.02 5.02 -1.26 -5.14 118.16 118.59 1h1j n LYS 43 Ca 0.12 -3.77 0.00 0.00 -2.02 0.00 0.00 58.31 52.64 1h1j n LYS 43 Cb 0.60 -1.75 0.00 0.00 -0.02 0.00 0.00 35.03 33.85 1h1j n LYS 43 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29