#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1h1j h SER 2 N 0.00 0.00 -6.18 1.61 0.02 -2.07 -3.48 113.55 103.44 1h1j h SER 2 Ca 0.00 0.00 -0.29 0.00 -0.84 0.00 0.00 61.79 60.66 1h1j h SER 2 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 1h1j h SER 2 CO 0.00 0.82 -0.65 0.00 -1.14 0.00 0.00 176.83 175.86 1h1j n ALA 3 N -2.33 -2.68 -2.00 3.77 0.00 -1.26 -4.97 120.51 111.03 1h1j n ALA 3 Ca -0.01 -0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.26 1h1j n ALA 3 Cb 0.88 -1.05 0.00 0.00 0.00 0.00 0.00 19.45 19.28 1h1j n ALA 3 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1h1j n ASP 4 N -2.28 0.00 -0.25 0.00 5.68 -1.26 -4.82 116.55 113.62 1h1j n ASP 4 Ca -0.19 0.00 0.32 0.00 -0.50 0.00 0.00 54.79 54.42 1h1j n ASP 4 Cb 0.61 0.00 0.74 0.00 -1.14 0.00 0.00 41.12 41.33 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 -1.95 -3.35 116.97 113.83 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 -1.13 -1.05 0.00 0.00 178.16 175.98 1h1j n SER 6 N -4.20 0.00 -2.79 3.88 3.41 -1.26 -1.41 113.62 111.25 1h1j n SER 6 Ca 0.22 0.00 -0.10 0.00 -0.26 0.00 0.00 58.87 58.73 1h1j n SER 6 Cb 1.11 0.00 0.07 0.00 -0.26 0.00 0.00 64.21 65.12 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 -0.11 -0.89 -3.88 4.04 2.88 -1.26 -4.92 113.62 109.49 1h1j n SER 7 Ca 0.00 -2.98 -0.30 0.00 -1.33 0.00 0.00 58.87 54.26 1h1j n SER 7 Cb 0.00 0.69 0.23 0.00 -0.75 0.00 0.00 64.21 64.38 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 -2.77 1.14 0.26 2.46 1.43 -0.50 -4.99 118.68 115.71 1h1j s LEU 8 Ca 0.26 0.55 -0.25 0.00 -1.03 0.00 0.00 54.13 53.66 1h1j s LEU 8 Cb 0.37 -2.35 -0.09 0.00 0.03 0.00 0.00 46.19 44.15 1h1j s LEU 8 CO -0.05 -3.82 0.86 0.28 0.23 0.00 0.00 176.35 173.85 1h1j s THR 9 N -3.20 4.30 0.45 5.49 -1.32 -1.26 -4.81 115.64 115.28 1h1j s THR 9 Ca 0.72 1.73 0.25 0.00 -1.21 0.00 0.00 61.69 63.17 1h1j s THR 9 Cb -0.08 -4.05 0.45 0.00 -1.51 0.00 0.00 72.50 67.30 1h1j s THR 9 CO 0.55 0.29 1.78 1.62 -2.21 0.00 0.00 174.62 176.65 1h1j h VAL 10 N 2.86 0.47 -0.23 5.08 3.04 -1.95 0.24 116.25 125.76 1h1j h VAL 10 Ca -0.47 -0.08 -0.04 0.00 -1.01 0.00 0.00 66.70 65.10 1h1j h VAL 10 Cb 1.20 0.21 -0.01 0.00 -2.01 0.00 0.00 31.29 30.68 1h1j h VAL 10 CO 0.66 0.04 -0.03 1.62 -1.01 0.00 0.00 177.57 178.85 1h1j h VAL 11 N 0.24 1.27 -0.08 1.51 3.04 -1.99 -1.41 116.25 118.84 1h1j h VAL 11 Ca 0.59 -0.98 -0.18 0.00 -1.01 0.00 0.00 66.70 65.11 1h1j h VAL 11 Cb 1.79 1.45 -0.00 0.00 -2.01 0.00 0.00 31.29 32.52 1h1j h VAL 11 CO -0.20 0.30 -0.73 0.06 -1.01 0.00 0.00 177.57 175.99 1h1j h GLN 12 N 0.18 0.40 -0.98 4.17 -0.00 -1.20 0.24 115.11 117.93 1h1j h GLN 12 Ca 0.06 -0.33 0.03 0.00 -0.00 0.00 0.00 58.65 58.41 1h1j h GLN 12 Cb 0.47 0.07 -0.06 0.00 -0.00 0.00 0.00 27.48 27.96 1h1j h GLN 12 CO 0.02 0.97 0.64 -0.07 -0.00 0.00 0.00 178.83 180.39 1h1j h LEU 13 N 0.27 1.08 -0.94 0.06 4.07 -0.61 0.25 115.31 119.50 1h1j h LEU 13 Ca -0.03 -0.01 -0.11 0.00 0.08 0.00 0.00 57.88 57.80 1h1j h LEU 13 Cb 1.31 -0.25 -0.01 0.00 1.08 0.00 0.00 40.66 42.78 1h1j h LEU 13 CO 0.13 0.75 -0.48 0.50 -1.08 0.00 0.00 178.44 178.26 1h1j h LYS 14 N 1.26 0.13 -0.04 1.13 3.64 -0.99 -2.06 116.57 119.63 1h1j h LYS 14 Ca 0.38 -0.07 -0.00 0.00 -1.27 0.00 0.00 60.65 59.69 1h1j h LYS 14 Cb -0.04 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 31.79 1h1j h LYS 14 CO -0.11 0.58 0.01 0.22 -2.27 0.00 0.00 179.45 177.88 1h1j h ASP 15 N 0.10 0.06 -0.35 4.20 3.58 0.15 0.45 116.42 124.63 1h1j h ASP 15 Ca 0.00 -0.22 -0.05 0.00 0.42 0.00 0.00 57.03 57.17 1h1j h ASP 15 Cb 0.88 -0.02 -0.01 0.00 1.72 0.00 0.00 39.33 41.90 1h1j h ASP 15 CO 0.07 0.27 0.00 0.17 -2.88 0.00 0.00 179.24 176.87 1h1j h LEU 16 N -0.15 0.60 -0.77 2.28 -0.00 -0.97 -1.25 115.31 115.05 1h1j h LEU 16 Ca 0.01 -0.31 -0.10 0.00 -0.00 0.00 0.00 57.88 57.49 1h1j h LEU 16 Cb 0.23 -0.16 -0.02 0.00 -0.00 0.00 0.00 40.66 40.71 1h1j h LEU 16 CO 0.00 0.76 -0.09 -0.07 -0.00 0.00 0.00 178.44 179.04 1h1j h LEU 17 N 0.42 0.83 -0.69 0.17 3.38 -1.32 0.47 115.31 118.57 1h1j h LEU 17 Ca 0.10 -0.25 -0.01 0.00 0.09 0.00 0.00 57.88 57.81 1h1j h LEU 17 Cb 0.45 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.94 1h1j h LEU 17 CO 0.02 0.95 0.39 0.71 0.09 0.00 0.00 178.44 180.60 1h1j h THR 18 N 0.77 1.21 0.00 0.22 1.35 0.09 0.19 112.91 116.73 1h1j h THR 18 Ca 0.13 -0.51 0.00 0.00 -0.55 0.00 0.00 66.41 65.48 1h1j h THR 18 Cb 0.59 0.29 0.00 0.00 -1.73 0.00 0.00 68.15 67.30 1h1j h THR 18 CO 0.04 0.23 0.00 1.17 -0.25 0.00 0.00 175.52 176.70 1h1j n LYS 19 N -4.52 0.24 -0.13 4.72 4.81 -0.49 -2.98 118.16 119.81 1h1j n LYS 19 Ca 0.06 0.24 0.06 0.00 -0.87 0.00 0.00 58.31 57.80 1h1j n LYS 19 Cb 0.08 -1.81 0.20 0.00 0.02 0.00 0.00 35.03 33.52 1h1j n LYS 19 CO 0.00 0.00 0.00 -2.13 1.17 0.00 0.00 177.40 176.44 1h1j n ARG 20 N -2.23 1.66 -1.58 1.64 0.63 0.16 -4.84 116.66 112.09 1h1j n ARG 20 Ca 0.05 -1.02 -0.15 0.00 -0.92 0.00 0.00 57.85 55.82 1h1j n ARG 20 Cb 0.40 -1.27 -0.05 0.00 0.45 0.00 0.00 32.46 31.99 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 0.30 -4.72 -3.45 6.15 5.15 -1.08 -4.94 115.26 112.67 1h1j n ASN 21 Ca 0.11 0.29 -0.06 0.00 -0.60 0.00 0.00 54.58 54.33 1h1j n ASN 21 Cb 0.26 -3.58 -0.07 0.00 -0.53 0.00 0.00 39.78 35.86 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 -3.51 -0.81 0.82 1.20 1.98 -0.09 -5.05 118.68 113.22 1h1j s LEU 22 Ca 0.00 0.73 -0.11 0.00 -2.89 0.00 0.00 54.13 51.85 1h1j s LEU 22 Cb 0.00 1.48 0.10 0.00 0.66 0.00 0.00 46.19 48.43 1h1j s LEU 22 CO 0.00 -0.26 1.17 -0.44 -1.89 0.00 0.00 176.35 174.93 1h1j s SER 23 N 2.65 4.30 -0.12 3.68 0.01 -1.24 -3.42 113.70 119.57 1h1j s SER 23 Ca 0.07 0.60 -0.05 0.00 1.31 0.00 0.00 55.95 57.88 1h1j s SER 23 Cb -0.14 -1.03 -0.04 0.00 0.21 0.00 0.00 66.02 65.02 1h1j s SER 23 CO -0.16 -2.00 0.07 0.68 0.41 0.00 0.00 173.24 172.24 1h1j s VAL 24 N -3.56 4.88 0.00 3.43 -7.23 -1.26 -4.93 120.40 111.72 1h1j s VAL 24 Ca 0.64 -0.02 0.00 0.00 -1.81 0.00 0.00 61.98 60.79 1h1j s VAL 24 Cb -0.09 -3.11 0.00 0.00 0.56 0.00 0.00 36.38 33.73 1h1j s VAL 24 CO 0.49 0.58 0.00 0.61 -0.31 0.00 0.00 175.10 176.47 1h1j n GLY 25 N 2.37 0.00 1.30 2.32 0.00 -1.26 -4.88 105.19 105.03 1h1j n GLY 25 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.83 1h1j n GLY 25 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1h1j n GLY 26 N 0.00 -1.47 3.64 -0.02 0.00 -1.26 -4.98 105.19 101.10 1h1j n GLY 26 Ca 0.00 0.38 -0.30 0.00 0.00 0.00 0.00 46.02 46.09 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 -3.95 2.31 0.21 0.99 2.34 -1.26 -4.68 118.68 114.64 1h1j s LEU 27 Ca 0.00 1.95 -0.10 0.00 0.06 0.00 0.00 54.13 56.04 1h1j s LEU 27 Cb 0.00 -4.23 0.29 0.00 -0.56 0.00 0.00 46.19 41.68 1h1j s LEU 27 CO 0.00 -3.28 1.70 0.50 -1.06 0.00 0.00 176.35 174.22 1h1j h LYS 28 N -1.99 0.24 -0.69 1.48 1.63 -2.00 -0.88 116.57 114.37 1h1j h LYS 28 Ca -0.48 -0.01 -0.05 0.00 -0.85 0.00 0.00 60.65 59.25 1h1j h LYS 28 Cb 1.28 -0.05 -0.03 0.00 -0.60 0.00 0.00 32.23 32.83 1h1j h LYS 28 CO 0.45 0.16 0.24 -0.91 -3.45 0.00 0.00 179.45 175.94 1h1j h ASN 29 N 0.24 0.98 -0.88 4.20 2.35 -1.99 -0.92 115.58 119.57 1h1j h ASN 29 Ca 0.31 -0.20 0.09 0.00 -0.55 0.00 0.00 56.30 55.95 1h1j h ASN 29 Cb 0.46 -0.26 -0.06 0.00 0.05 0.00 0.00 38.32 38.51 1h1j h ASN 29 CO -0.41 0.92 0.57 -0.33 -1.65 0.00 0.00 177.43 176.53 1h1j h GLU 30 N 1.00 0.88 -0.15 0.81 4.39 -1.53 0.47 114.58 120.45 1h1j h GLU 30 Ca 0.22 -0.05 -0.02 0.00 0.34 0.00 0.00 59.36 59.85 1h1j h GLU 30 Cb 0.27 -0.20 -0.01 0.00 -0.10 0.00 0.00 28.75 28.72 1h1j h GLU 30 CO -0.01 0.58 0.01 -0.07 -1.16 0.00 0.00 179.01 178.36 1h1j h LEU 31 N 0.90 0.25 -0.30 1.33 -0.00 -0.33 0.28 115.31 117.44 1h1j h LEU 31 Ca 0.40 -0.29 -0.02 0.00 -0.00 0.00 0.00 57.88 57.97 1h1j h LEU 31 Cb 0.35 -0.07 -0.01 0.00 -0.00 0.00 0.00 40.66 40.94 1h1j h LEU 31 CO -0.16 0.47 0.11 1.62 -0.00 0.00 0.00 178.44 180.47 1h1j h VAL 32 N 0.01 1.19 -0.49 1.22 3.04 -0.00 -1.70 116.25 119.52 1h1j h VAL 32 Ca 0.04 -0.60 -0.12 0.00 -1.01 0.00 0.00 66.70 65.01 1h1j h VAL 32 Cb 0.34 1.02 -0.02 0.00 -2.01 0.00 0.00 31.29 30.62 1h1j h VAL 32 CO 0.01 0.20 -0.17 1.56 -1.01 0.00 0.00 177.57 178.16 1h1j h GLN 33 N 0.33 0.97 -0.31 4.17 4.20 -0.06 -1.74 115.11 122.67 1h1j h GLN 33 Ca 0.10 -0.38 -0.04 0.00 0.06 0.00 0.00 58.65 58.39 1h1j h GLN 33 Cb 0.21 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 27.93 1h1j h GLN 33 CO -0.01 1.05 0.04 -0.09 -0.67 0.00 0.00 178.83 179.16 1h1j h ARG 34 N 0.85 0.52 -0.12 1.46 2.43 -0.28 0.41 114.38 119.65 1h1j h ARG 34 Ca 0.12 -0.14 -0.05 0.00 -0.81 0.00 0.00 59.98 59.10 1h1j h ARG 34 Cb 0.73 -0.06 -0.00 0.00 -0.42 0.00 0.00 29.97 30.22 1h1j h ARG 34 CO 0.06 0.62 -0.11 -0.07 -1.51 0.00 0.00 179.97 178.96 1h1j h LEU 35 N 0.34 0.31 -0.29 3.80 3.38 -1.28 0.69 115.31 122.26 1h1j h LEU 35 Ca 0.09 -0.47 -0.11 0.00 0.09 0.00 0.00 57.88 57.49 1h1j h LEU 35 Cb 0.36 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 1h1j h LEU 35 CO 0.01 0.71 -0.25 0.40 0.09 0.00 0.00 178.44 179.39 1h1j h ILE 36 N -0.09 1.30 -0.32 1.22 2.04 -1.31 0.48 117.51 120.83 1h1j h ILE 36 Ca 0.02 -1.41 -0.14 0.00 1.00 0.00 0.00 64.86 64.33 1h1j h ILE 36 Cb 0.62 1.57 -0.00 0.00 -0.74 0.00 0.00 36.82 38.26 1h1j h ILE 36 CO 0.03 0.45 -0.36 0.11 0.00 0.00 0.00 178.15 178.38 1h1j h LYS 37 N 0.42 0.80 -0.20 2.37 1.57 -0.23 0.18 116.57 121.48 1h1j h LYS 37 Ca 0.05 -0.44 -0.16 0.00 -1.87 0.00 0.00 60.65 58.23 1h1j h LYS 37 Cb 0.81 0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.15 1h1j h LYS 37 CO 0.06 1.07 -0.50 0.22 -0.57 0.00 0.00 179.45 179.73 1h1j h ASP 38 N 0.57 0.79 0.09 0.86 3.58 -0.84 -3.12 116.42 118.36 1h1j h ASP 38 Ca 0.05 -0.57 -0.19 0.00 0.42 0.00 0.00 57.03 56.74 1h1j h ASP 38 Cb 0.94 -0.23 -0.00 0.00 1.72 0.00 0.00 39.33 41.76 1h1j h ASP 38 CO 0.09 1.22 -0.68 -0.78 -2.88 0.00 0.00 179.24 176.20 1h1j h ASP 39 N 0.40 0.63 -0.73 2.28 3.58 -0.03 -3.19 116.42 119.37 1h1j h ASP 39 Ca -0.00 -0.39 0.08 0.00 0.42 0.00 0.00 57.03 57.14 1h1j h ASP 39 Cb 1.11 -0.18 -0.07 0.00 1.72 0.00 0.00 39.33 41.91 1h1j h ASP 39 CO 0.11 1.13 0.39 -0.33 -2.88 0.00 0.00 179.24 177.67 1h1j h GLU 40 N 0.38 0.67 -4.11 0.28 4.39 -0.65 -3.32 114.58 112.22 1h1j h GLU 40 Ca -0.02 -0.04 -0.71 0.00 0.34 0.00 0.00 59.36 58.93 1h1j h GLU 40 Cb 1.26 -0.15 -0.33 0.00 -0.10 0.00 0.00 28.75 29.44 1h1j h GLU 40 CO 0.13 0.44 -0.40 -1.21 -1.16 0.00 0.00 179.01 176.81 1h1j s GLU 41 N -6.07 2.43 -1.37 2.33 2.02 -1.18 -4.99 118.70 111.88 1h1j s GLU 41 Ca -0.13 -2.07 -0.09 0.00 0.02 0.00 0.00 54.97 52.71 1h1j s GLU 41 Cb 0.18 -3.79 0.10 0.00 0.10 0.00 0.00 34.13 30.71 1h1j s GLU 41 CO 0.77 -1.16 2.23 0.43 0.02 0.00 0.00 175.26 177.55 1h1j n SER 42 N 4.31 6.20 0.00 -0.19 7.64 -1.25 -4.85 113.62 125.48 1h1j n SER 42 Ca 0.00 -3.00 0.00 0.00 1.01 0.00 0.00 58.87 56.89 1h1j n SER 42 Cb 0.40 -1.49 0.00 0.00 -1.01 0.00 0.00 64.21 62.12 1h1j n SER 42 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1h1j n LYS 43 N 3.62 0.00 -0.78 1.43 4.76 -1.26 -5.18 118.16 120.75 1h1j n LYS 43 Ca 0.54 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.98 1h1j n LYS 43 Cb 0.32 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.51 1h1j n LYS 43 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44