#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 -6.57 -3.70 1.61 7.64 -1.26 -4.89 113.62 106.46 1h1j n SER 2 Ca 0.00 0.45 -0.19 0.00 1.01 0.00 0.00 58.87 60.14 1h1j n SER 2 Cb 0.00 -3.35 -0.17 0.00 -1.01 0.00 0.00 64.21 59.68 1h1j n SER 2 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1h1j s ALA 3 N -1.96 0.22 0.00 -0.43 0.00 -1.26 -5.08 121.76 113.25 1h1j s ALA 3 Ca 0.00 0.20 0.00 0.00 0.00 0.00 0.00 51.96 52.16 1h1j s ALA 3 Cb 0.00 -0.54 0.00 0.00 0.00 0.00 0.00 23.12 22.58 1h1j s ALA 3 CO 0.00 -0.39 0.00 -0.40 0.00 0.00 0.00 175.76 174.97 1h1j n ASP 4 N 5.02 0.00 -0.22 0.00 5.68 -1.26 -4.87 116.55 120.90 1h1j n ASP 4 Ca -0.09 0.00 0.31 0.00 -0.50 0.00 0.00 54.79 54.50 1h1j n ASP 4 Cb 0.50 0.00 0.73 0.00 -1.14 0.00 0.00 41.12 41.21 1h1j n ASP 4 CO 0.00 0.00 0.00 1.88 -1.33 0.00 0.00 177.20 177.75 1h1j h TYR 5 N 0.00 0.00 0.00 2.11 0.05 -1.96 -3.33 116.97 113.84 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 0.45 -1.05 0.00 0.00 178.16 177.56 1h1j n SER 6 N -4.22 0.00 -2.69 3.88 2.88 -1.26 -1.52 113.62 110.69 1h1j n SER 6 Ca 0.21 0.00 -0.07 0.00 -1.33 0.00 0.00 58.87 57.67 1h1j n SER 6 Cb 1.06 0.00 0.09 0.00 -0.75 0.00 0.00 64.21 64.60 1h1j n SER 6 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1h1j n SER 7 N -1.27 -0.72 -4.68 -3.46 7.64 -1.25 -4.92 113.62 104.96 1h1j n SER 7 Ca 0.00 -2.53 -0.29 0.00 1.01 0.00 0.00 58.87 57.06 1h1j n SER 7 Cb 0.00 0.47 0.17 0.00 -1.01 0.00 0.00 64.21 63.84 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 -3.20 1.65 0.62 -3.43 1.43 -0.58 -4.99 118.68 110.18 1h1j s LEU 8 Ca 0.23 1.22 -0.14 0.00 -1.03 0.00 0.00 54.13 54.41 1h1j s LEU 8 Cb 0.42 -3.42 -0.03 0.00 0.03 0.00 0.00 46.19 43.19 1h1j s LEU 8 CO -0.05 -3.11 1.05 0.42 0.23 0.00 0.00 176.35 174.89 1h1j s THR 9 N -2.96 3.99 0.56 5.49 -4.23 -1.26 -4.70 115.64 112.54 1h1j s THR 9 Ca 0.65 0.83 0.32 0.00 -1.18 0.00 0.00 61.69 62.31 1h1j s THR 9 Cb -0.19 -3.44 0.46 0.00 1.34 0.00 0.00 72.50 70.68 1h1j s THR 9 CO 0.58 -0.66 1.81 1.62 -0.54 0.00 0.00 174.62 177.43 1h1j h VAL 10 N 0.08 0.39 -0.34 2.29 3.04 -1.94 0.30 116.25 120.08 1h1j h VAL 10 Ca -0.46 0.00 -0.07 0.00 -1.01 0.00 0.00 66.70 65.16 1h1j h VAL 10 Cb 1.21 0.48 -0.01 0.00 -2.01 0.00 0.00 31.29 30.96 1h1j h VAL 10 CO 0.58 0.00 -0.06 0.58 -1.01 0.00 0.00 177.57 177.66 1h1j h VAL 11 N 0.00 1.27 -0.12 1.51 2.07 -1.98 -1.42 116.25 117.59 1h1j h VAL 11 Ca 0.40 -1.09 -0.10 0.00 0.82 0.00 0.00 66.70 66.73 1h1j h VAL 11 Cb 1.81 1.30 0.00 0.00 -1.52 0.00 0.00 31.29 32.88 1h1j h VAL 11 CO -0.00 0.36 -0.32 1.56 0.02 0.00 0.00 177.57 179.18 1h1j h GLN 12 N 0.42 0.42 -0.70 1.57 1.08 -0.79 0.25 115.11 117.37 1h1j h GLN 12 Ca 0.09 -0.30 0.07 0.00 -1.45 0.00 0.00 58.65 57.06 1h1j h GLN 12 Cb 0.55 0.05 -0.06 0.00 -0.05 0.00 0.00 27.48 27.96 1h1j h GLN 12 CO 0.03 0.92 0.38 -0.07 -0.95 0.00 0.00 178.83 179.14 1h1j h LEU 13 N 0.00 0.55 -0.98 1.46 4.07 -1.30 0.15 115.31 119.26 1h1j h LEU 13 Ca -0.01 0.04 -0.11 0.00 0.08 0.00 0.00 57.88 57.89 1h1j h LEU 13 Cb 0.94 -0.06 -0.01 0.00 1.08 0.00 0.00 40.66 42.60 1h1j h LEU 13 CO 0.07 0.34 -0.45 0.50 -1.08 0.00 0.00 178.44 177.82 1h1j h LYS 14 N 0.68 0.13 0.02 1.13 3.64 -1.20 -1.76 116.57 119.22 1h1j h LYS 14 Ca 0.33 -0.07 -0.00 0.00 -1.27 0.00 0.00 60.65 59.64 1h1j h LYS 14 Cb 0.25 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.07 1h1j h LYS 14 CO -0.21 0.56 -0.01 0.22 -2.27 0.00 0.00 179.45 177.74 1h1j h ASP 15 N 0.11 -0.02 -0.40 4.20 3.58 0.13 -0.07 116.42 123.95 1h1j h ASP 15 Ca 0.01 -0.48 -0.05 0.00 0.42 0.00 0.00 57.03 56.92 1h1j h ASP 15 Cb 0.84 0.01 -0.02 0.00 1.72 0.00 0.00 39.33 41.88 1h1j h ASP 15 CO 0.06 0.48 0.04 0.17 -2.88 0.00 0.00 179.24 177.11 1h1j h LEU 16 N -0.53 0.65 -0.90 2.28 -0.00 -0.83 -1.49 115.31 114.48 1h1j h LEU 16 Ca -0.00 -0.28 -0.04 0.00 -0.00 0.00 0.00 57.88 57.56 1h1j h LEU 16 Cb 0.50 -0.17 -0.03 0.00 -0.00 0.00 0.00 40.66 40.96 1h1j h LEU 16 CO 0.00 0.77 0.29 -0.07 -0.00 0.00 0.00 178.44 179.43 1h1j h LEU 17 N 0.51 1.00 -0.57 0.17 3.38 -1.37 0.52 115.31 118.96 1h1j h LEU 17 Ca 0.12 -0.15 -0.00 0.00 0.09 0.00 0.00 57.88 57.93 1h1j h LEU 17 Cb 0.41 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.87 1h1j h LEU 17 CO 0.01 0.89 0.34 0.74 0.09 0.00 0.00 178.44 180.52 1h1j h THR 18 N 1.07 1.17 0.00 0.22 2.02 -0.73 0.02 112.91 116.67 1h1j h THR 18 Ca 0.25 -0.39 0.00 0.00 0.77 0.00 0.00 66.41 67.04 1h1j h THR 18 Cb 0.20 0.40 0.00 0.00 -1.74 0.00 0.00 68.15 67.01 1h1j h THR 18 CO -0.02 0.18 0.00 0.29 0.37 0.00 0.00 175.52 176.34 1h1j n LYS 19 N -4.64 0.21 -0.15 6.66 4.76 -0.58 -2.96 118.16 121.46 1h1j n LYS 19 Ca 0.04 0.22 0.06 0.00 -2.87 0.00 0.00 58.31 55.75 1h1j n LYS 19 Cb 0.06 -1.77 0.17 0.00 -1.84 0.00 0.00 35.03 31.65 1h1j n LYS 19 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 1h1j n ARG 20 N -2.14 1.72 -1.42 1.97 1.74 0.18 -4.84 116.66 113.87 1h1j n ARG 20 Ca 0.05 -1.12 -0.14 0.00 -0.77 0.00 0.00 57.85 55.87 1h1j n ARG 20 Cb 0.38 -1.26 -0.06 0.00 -1.02 0.00 0.00 32.46 30.50 1h1j n ARG 20 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1h1j n ASN 21 N 0.40 -5.07 -3.50 0.55 3.02 -1.10 -4.92 115.26 104.63 1h1j n ASN 21 Ca 0.11 0.36 -0.14 0.00 -0.03 0.00 0.00 54.58 54.88 1h1j n ASN 21 Cb 0.27 -3.84 -0.11 0.00 -0.61 0.00 0.00 39.78 35.49 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 -3.27 -0.33 0.84 3.41 1.98 -0.13 -5.04 118.68 116.13 1h1j s LEU 22 Ca 0.00 0.15 -0.11 0.00 -2.89 0.00 0.00 54.13 51.29 1h1j s LEU 22 Cb 0.00 0.72 0.14 0.00 0.66 0.00 0.00 46.19 47.71 1h1j s LEU 22 CO 0.00 -0.29 1.18 -0.44 -1.89 0.00 0.00 176.35 174.91 1h1j s SER 23 N 2.43 3.91 -0.36 3.68 0.01 -1.23 -3.47 113.70 118.67 1h1j s SER 23 Ca 0.07 0.29 -0.05 0.00 1.31 0.00 0.00 55.95 57.57 1h1j s SER 23 Cb -0.15 -0.59 0.06 0.00 0.21 0.00 0.00 66.02 65.56 1h1j s SER 23 CO -0.12 -2.21 0.12 0.68 0.41 0.00 0.00 173.24 172.12 1h1j s VAL 24 N -3.58 3.54 -0.31 3.43 -7.23 -1.26 -4.94 120.40 110.04 1h1j s VAL 24 Ca 0.68 -1.45 -0.10 0.00 -1.81 0.00 0.00 61.98 59.30 1h1j s VAL 24 Cb -0.07 -3.13 -0.01 0.00 0.56 0.00 0.00 36.38 33.73 1h1j s VAL 24 CO 0.49 -0.33 0.18 -0.83 -0.31 0.00 0.00 175.10 174.30 1h1j s GLY 25 N 1.58 1.89 0.00 2.32 0.00 -1.26 -4.91 107.32 106.94 1h1j s GLY 25 Ca 0.00 -1.36 0.00 0.00 0.00 0.00 0.00 44.72 43.36 1h1j s GLY 25 CO 0.00 0.71 0.00 0.61 0.00 0.00 0.00 173.10 174.42 1h1j n GLY 26 N 5.02 1.35 3.47 0.20 0.00 -1.26 -4.80 105.19 109.16 1h1j n GLY 26 Ca -0.14 -1.76 -0.30 0.00 0.00 0.00 0.00 46.02 43.82 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 -0.09 0.20 0.99 2.34 -1.26 -4.45 118.68 116.40 1h1j s LEU 27 Ca 0.00 0.64 -0.12 0.00 0.06 0.00 0.00 54.13 54.71 1h1j s LEU 27 Cb 0.00 -2.21 0.23 0.00 -0.56 0.00 0.00 46.19 43.66 1h1j s LEU 27 CO 0.00 -4.71 1.70 0.50 -1.06 0.00 0.00 176.35 172.78 1h1j h LYS 28 N -2.98 0.19 -0.52 1.48 1.63 -2.00 0.19 116.57 114.56 1h1j h LYS 28 Ca -0.43 -0.01 -0.06 0.00 -0.85 0.00 0.00 60.65 59.30 1h1j h LYS 28 Cb 1.31 -0.04 -0.02 0.00 -0.60 0.00 0.00 32.23 32.87 1h1j h LYS 28 CO 0.29 0.12 0.07 -0.91 -3.45 0.00 0.00 179.45 175.57 1h1j h ASN 29 N 0.19 0.79 -0.83 4.20 -0.26 -1.99 -1.24 115.58 116.43 1h1j h ASN 29 Ca 0.28 -0.17 0.01 0.00 -0.56 0.00 0.00 56.30 55.86 1h1j h ASN 29 Cb 0.41 -0.21 -0.04 0.00 -1.06 0.00 0.00 38.32 37.42 1h1j h ASN 29 CO -0.40 0.81 0.55 -0.33 -1.06 0.00 0.00 177.43 177.01 1h1j h GLU 30 N 0.79 1.09 -0.16 0.81 4.39 -1.17 0.40 114.58 120.72 1h1j h GLU 30 Ca 0.16 -0.07 -0.00 0.00 0.34 0.00 0.00 59.36 59.79 1h1j h GLU 30 Cb 0.38 -0.25 -0.01 0.00 -0.10 0.00 0.00 28.75 28.78 1h1j h GLU 30 CO 0.01 0.72 0.09 -0.07 -1.16 0.00 0.00 179.01 178.60 1h1j h LEU 31 N 1.12 0.20 -0.55 1.33 -0.00 0.36 0.43 115.31 118.21 1h1j h LEU 31 Ca 0.31 -0.07 0.01 0.00 -0.00 0.00 0.00 57.88 58.12 1h1j h LEU 31 Cb -0.11 -0.05 -0.03 0.00 -0.00 0.00 0.00 40.66 40.46 1h1j h LEU 31 CO -0.07 0.22 0.36 1.62 -0.00 0.00 0.00 178.44 180.57 1h1j h VAL 32 N 0.17 1.13 -0.37 1.22 3.04 -0.24 -1.42 116.25 119.79 1h1j h VAL 32 Ca 0.06 -0.25 -0.08 0.00 -1.01 0.00 0.00 66.70 65.41 1h1j h VAL 32 Cb 0.06 0.33 -0.02 0.00 -2.01 0.00 0.00 31.29 29.65 1h1j h VAL 32 CO -0.01 0.13 -0.12 1.56 -1.01 0.00 0.00 177.57 178.13 1h1j h GLN 33 N 0.73 0.64 -0.37 4.17 4.20 0.20 -1.85 115.11 122.83 1h1j h GLN 33 Ca 0.20 -0.20 -0.06 0.00 0.06 0.00 0.00 58.65 58.65 1h1j h GLN 33 Cb -0.07 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 27.64 1h1j h GLN 33 CO -0.05 0.75 -0.02 -0.09 -0.67 0.00 0.00 178.83 178.75 1h1j h ARG 34 N 0.59 0.67 -0.08 1.46 2.43 0.51 0.43 114.38 120.39 1h1j h ARG 34 Ca 0.10 -0.22 -0.02 0.00 -0.81 0.00 0.00 59.98 59.03 1h1j h ARG 34 Cb 0.55 -0.06 -0.00 0.00 -0.42 0.00 0.00 29.97 30.04 1h1j h ARG 34 CO 0.03 0.78 -0.04 -0.07 -1.51 0.00 0.00 179.97 179.16 1h1j h LEU 35 N 0.48 0.18 -0.18 3.80 3.38 -1.12 0.15 115.31 122.00 1h1j h LEU 35 Ca 0.10 -0.42 -0.10 0.00 0.09 0.00 0.00 57.88 57.55 1h1j h LEU 35 Cb 0.49 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.19 1h1j h LEU 35 CO 0.02 0.56 -0.26 0.40 0.09 0.00 0.00 178.44 179.25 1h1j h ILE 36 N -0.21 1.34 -0.31 1.22 2.04 -1.35 0.53 117.51 120.78 1h1j h ILE 36 Ca 0.02 -1.47 -0.05 0.00 1.00 0.00 0.00 64.86 64.36 1h1j h ILE 36 Cb 0.50 1.86 -0.01 0.00 -0.74 0.00 0.00 36.82 38.43 1h1j h ILE 36 CO 0.01 0.45 0.00 0.50 0.00 0.00 0.00 178.15 179.11 1h1j h LYS 37 N 0.16 0.54 -0.23 2.37 1.63 -0.19 -1.55 116.57 119.30 1h1j h LYS 37 Ca 0.02 -0.17 -0.18 0.00 -0.85 0.00 0.00 60.65 59.46 1h1j h LYS 37 Cb 0.83 -0.05 -0.00 0.00 -0.60 0.00 0.00 32.23 32.42 1h1j h LYS 37 CO 0.06 0.68 -0.59 0.22 -3.45 0.00 0.00 179.45 176.37 1h1j h ASP 38 N 0.34 0.85 0.30 4.20 3.58 -0.71 -2.99 116.42 121.99 1h1j h ASP 38 Ca 0.09 -0.47 -0.04 0.00 0.42 0.00 0.00 57.03 57.02 1h1j h ASP 38 Cb 0.44 -0.25 -0.01 0.00 1.72 0.00 0.00 39.33 41.23 1h1j h ASP 38 CO 0.02 1.25 -0.19 -0.78 -2.88 0.00 0.00 179.24 176.65 1h1j h ASP 39 N 0.57 0.00 0.66 2.28 3.58 0.16 -2.23 116.42 121.44 1h1j h ASP 39 Ca 0.00 0.00 -0.14 0.00 0.42 0.00 0.00 57.03 57.31 1h1j h ASP 39 Cb 1.18 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 42.21 1h1j h ASP 39 CO 0.12 0.19 -0.68 -0.08 -2.88 0.00 0.00 179.24 175.92 1h1j h GLU 40 N 0.00 0.01 -4.50 0.28 4.57 -1.13 -3.49 114.58 110.31 1h1j h GLU 40 Ca -0.00 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.17 1h1j h GLU 40 Cb 0.39 0.00 -0.07 0.00 -0.16 0.00 0.00 28.75 28.91 1h1j h GLU 40 CO 0.02 0.68 -1.05 -1.91 -1.18 0.00 0.00 179.01 175.58 1h1j n GLU 41 N -3.74 -3.16 0.00 1.92 2.13 -0.84 -5.01 120.64 111.94 1h1j n GLU 41 Ca -0.01 2.55 0.00 0.00 0.66 0.00 0.00 57.16 60.36 1h1j n GLU 41 Cb 0.66 -4.10 0.00 0.00 0.27 0.00 0.00 31.44 28.27 1h1j n GLU 41 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 1h1j n SER 42 N 1.02 4.14 -0.01 4.31 2.88 -1.26 -4.75 113.62 119.95 1h1j n SER 42 Ca -0.22 0.00 0.07 0.00 -1.33 0.00 0.00 58.87 57.40 1h1j n SER 42 Cb 0.33 0.78 -0.13 0.00 -0.75 0.00 0.00 64.21 64.45 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 -1.30 0.54 0.00 -1.46 2.85 -1.26 -5.26 118.16 112.28 1h1j n LYS 43 Ca 0.00 -0.14 0.14 0.00 -1.05 0.00 0.00 58.31 57.25 1h1j n LYS 43 Cb 0.05 -1.39 0.43 0.00 -0.65 0.00 0.00 35.03 33.46 1h1j n LYS 43 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76