#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 1.09 -4.66 1.61 2.88 -1.26 -5.04 113.62 108.24 1h1j n SER 2 Ca 0.00 -2.18 -0.43 0.00 -1.33 0.00 0.00 58.87 54.94 1h1j n SER 2 Cb 0.00 -0.21 -0.02 0.00 -0.75 0.00 0.00 64.21 63.23 1h1j n SER 2 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1h1j s ALA 3 N -1.09 3.64 0.00 -1.46 0.00 -1.26 -4.89 121.76 116.70 1h1j s ALA 3 Ca 0.10 0.62 0.00 0.00 0.00 0.00 0.00 51.96 52.68 1h1j s ALA 3 Cb 0.09 -3.65 0.00 0.00 0.00 0.00 0.00 23.12 19.56 1h1j s ALA 3 CO 0.01 -1.21 0.00 -0.40 0.00 0.00 0.00 175.76 174.16 1h1j n ASP 4 N 6.64 0.00 -0.14 0.00 5.68 -1.26 -4.87 116.55 122.60 1h1j n ASP 4 Ca 0.15 0.00 0.28 0.00 -0.50 0.00 0.00 54.79 54.72 1h1j n ASP 4 Cb 0.44 0.00 0.72 0.00 -1.14 0.00 0.00 41.12 41.14 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 -3.34 116.97 113.84 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 -1.13 -1.05 0.00 0.00 178.16 175.98 1h1j n SER 6 N -4.00 0.00 -2.80 3.88 3.41 -1.26 -1.57 113.62 111.28 1h1j n SER 6 Ca 0.17 0.00 -0.10 0.00 -0.26 0.00 0.00 58.87 58.68 1h1j n SER 6 Cb 0.98 0.00 0.07 0.00 -0.26 0.00 0.00 64.21 65.00 1h1j n SER 6 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1h1j n SER 7 N -1.08 -1.11 -4.01 4.04 3.41 -1.25 -4.91 113.62 108.71 1h1j n SER 7 Ca 0.00 -3.08 -0.30 0.00 -0.26 0.00 0.00 58.87 55.23 1h1j n SER 7 Cb 0.00 0.86 0.21 0.00 -0.26 0.00 0.00 64.21 65.02 1h1j n SER 7 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1h1j s LEU 8 N -2.69 1.59 0.31 1.04 1.43 -0.61 -5.01 118.68 114.76 1h1j s LEU 8 Ca 0.26 0.51 -0.22 0.00 -1.03 0.00 0.00 54.13 53.66 1h1j s LEU 8 Cb 0.36 -2.41 -0.09 0.00 0.03 0.00 0.00 46.19 44.07 1h1j s LEU 8 CO -0.05 -3.46 0.85 0.28 0.23 0.00 0.00 176.35 174.20 1h1j s THR 9 N -3.38 4.42 0.37 5.49 -1.32 -1.26 -4.80 115.64 115.16 1h1j s THR 9 Ca 0.72 1.48 0.15 0.00 -1.21 0.00 0.00 61.69 62.82 1h1j s THR 9 Cb -0.08 -3.83 0.36 0.00 -1.51 0.00 0.00 72.50 67.45 1h1j s THR 9 CO 0.55 0.02 1.76 1.62 -2.21 0.00 0.00 174.62 176.36 1h1j h VAL 10 N 2.41 0.54 -0.25 5.08 3.04 -1.94 0.28 116.25 125.40 1h1j h VAL 10 Ca -0.48 -0.16 -0.03 0.00 -1.01 0.00 0.00 66.70 65.02 1h1j h VAL 10 Cb 1.19 0.03 -0.01 0.00 -2.01 0.00 0.00 31.29 30.48 1h1j h VAL 10 CO 0.64 0.09 0.03 1.62 -1.01 0.00 0.00 177.57 178.94 1h1j h VAL 11 N 0.47 1.24 -0.09 1.51 3.04 -1.99 -1.30 116.25 119.13 1h1j h VAL 11 Ca 0.61 -0.81 -0.18 0.00 -1.01 0.00 0.00 66.70 65.31 1h1j h VAL 11 Cb 1.39 1.29 -0.01 0.00 -2.01 0.00 0.00 31.29 31.96 1h1j h VAL 11 CO -0.36 0.26 -0.70 0.06 -1.01 0.00 0.00 177.57 175.83 1h1j h GLN 12 N 0.22 0.41 -0.97 4.17 -0.00 -1.40 -0.02 115.11 117.54 1h1j h GLN 12 Ca 0.07 -0.32 0.04 0.00 -0.00 0.00 0.00 58.65 58.44 1h1j h GLN 12 Cb 0.36 0.06 -0.06 0.00 -0.00 0.00 0.00 27.48 27.84 1h1j h GLN 12 CO 0.01 0.95 0.63 -0.07 -0.00 0.00 0.00 178.83 180.36 1h1j h LEU 13 N 0.29 1.05 -0.96 0.06 4.07 -0.45 0.30 115.31 119.67 1h1j h LEU 13 Ca -0.02 -0.01 -0.11 0.00 0.08 0.00 0.00 57.88 57.82 1h1j h LEU 13 Cb 1.26 -0.24 -0.01 0.00 1.08 0.00 0.00 40.66 42.75 1h1j h LEU 13 CO 0.12 0.72 -0.49 0.50 -1.08 0.00 0.00 178.44 178.20 1h1j h LYS 14 N 1.21 0.07 -0.02 1.13 3.64 -0.91 -2.12 116.57 119.57 1h1j h LYS 14 Ca 0.39 -0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.72 1h1j h LYS 14 Cb 0.02 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 31.84 1h1j h LYS 14 CO -0.12 0.55 0.00 0.22 -2.27 0.00 0.00 179.45 177.83 1h1j h ASP 15 N 0.06 0.03 -0.31 4.20 1.82 0.15 0.62 116.42 122.99 1h1j h ASP 15 Ca -0.00 -0.24 -0.04 0.00 -0.39 0.00 0.00 57.03 56.36 1h1j h ASP 15 Cb 0.89 -0.01 -0.01 0.00 0.68 0.00 0.00 39.33 40.88 1h1j h ASP 15 CO 0.07 0.26 0.04 0.17 -1.61 0.00 0.00 179.24 178.17 1h1j h LEU 16 N -0.20 0.51 -0.91 2.28 -0.00 -1.10 -1.47 115.31 114.42 1h1j h LEU 16 Ca 0.01 -0.27 -0.10 0.00 -0.00 0.00 0.00 57.88 57.51 1h1j h LEU 16 Cb 0.24 -0.14 -0.01 0.00 -0.00 0.00 0.00 40.66 40.75 1h1j h LEU 16 CO 0.00 0.66 -0.27 -0.07 -0.00 0.00 0.00 178.44 178.76 1h1j h LEU 17 N 0.35 0.49 -0.71 0.17 3.38 -1.34 0.48 115.31 118.12 1h1j h LEU 17 Ca 0.09 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 57.90 1h1j h LEU 17 Cb 0.37 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 40.95 1h1j h LEU 17 CO 0.01 0.75 0.46 0.74 0.09 0.00 0.00 178.44 180.48 1h1j h THR 18 N 0.42 1.19 0.00 0.22 2.02 0.49 0.11 112.91 117.37 1h1j h THR 18 Ca 0.06 -0.38 0.00 0.00 0.77 0.00 0.00 66.41 66.86 1h1j h THR 18 Cb 0.69 0.17 0.00 0.00 -1.74 0.00 0.00 68.15 67.27 1h1j h THR 18 CO 0.05 0.19 0.00 0.29 0.37 0.00 0.00 175.52 176.42 1h1j n LYS 19 N -4.57 0.20 -0.11 6.66 4.76 -0.57 -2.96 118.16 121.57 1h1j n LYS 19 Ca 0.06 0.21 0.07 0.00 -2.87 0.00 0.00 58.31 55.78 1h1j n LYS 19 Cb 0.03 -1.75 0.24 0.00 -1.84 0.00 0.00 35.03 31.70 1h1j n LYS 19 CO 0.00 0.00 0.00 -2.13 -1.37 0.00 0.00 177.40 173.90 1h1j n ARG 20 N -2.11 1.61 -1.40 1.97 0.63 0.16 -4.84 116.66 112.67 1h1j n ARG 20 Ca 0.05 -0.93 -0.14 0.00 -0.92 0.00 0.00 57.85 55.91 1h1j n ARG 20 Cb 0.38 -1.28 -0.06 0.00 0.45 0.00 0.00 32.46 31.96 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 0.21 -4.98 -3.66 6.15 5.15 -1.00 -4.93 115.26 112.20 1h1j n ASN 21 Ca 0.12 0.34 -0.10 0.00 -0.60 0.00 0.00 54.58 54.34 1h1j n ASN 21 Cb 0.25 -3.71 -0.11 0.00 -0.53 0.00 0.00 39.78 35.68 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 -3.17 -0.51 0.00 1.20 1.98 -0.24 -5.05 118.68 112.90 1h1j s LEU 22 Ca 0.00 0.84 0.00 0.00 -2.89 0.00 0.00 54.13 52.08 1h1j s LEU 22 Cb 0.00 1.11 0.00 0.00 0.66 0.00 0.00 46.19 47.96 1h1j s LEU 22 CO 0.00 -0.23 0.00 -1.20 -1.89 0.00 0.00 176.35 173.03 1h1j n SER 23 N 5.36 -0.15 -4.75 3.68 7.64 -1.25 -3.37 113.62 120.78 1h1j n SER 23 Ca -0.08 -0.62 -0.23 0.00 1.01 0.00 0.00 58.87 58.95 1h1j n SER 23 Cb 0.50 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.64 1h1j n SER 23 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 1h1j s VAL 24 N -0.70 3.17 0.00 0.44 -7.23 -1.26 -4.86 120.40 109.96 1h1j s VAL 24 Ca 0.00 -1.65 0.00 0.00 -1.81 0.00 0.00 61.98 58.52 1h1j s VAL 24 Cb 0.00 -3.01 0.00 0.00 0.56 0.00 0.00 36.38 33.93 1h1j s VAL 24 CO 0.00 -0.20 0.00 0.61 -0.31 0.00 0.00 175.10 175.20 1h1j n GLY 25 N -1.17 -2.73 0.00 2.32 0.00 -1.26 -4.93 105.19 97.43 1h1j n GLY 25 Ca -0.03 -0.58 0.00 0.00 0.00 0.00 0.00 46.02 45.41 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 0.09 3.59 -0.02 0.00 -1.26 -4.81 105.19 102.78 1h1j n GLY 26 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 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 -1.80 1.75 0.20 0.99 2.34 -1.26 -4.65 118.68 116.25 1h1j s LEU 27 Ca 0.00 1.77 -0.11 0.00 0.06 0.00 0.00 54.13 55.85 1h1j s LEU 27 Cb 0.00 -3.91 0.25 0.00 -0.56 0.00 0.00 46.19 41.97 1h1j s LEU 27 CO 0.00 -3.61 1.71 0.50 -1.06 0.00 0.00 176.35 173.88 1h1j h LYS 28 N -2.22 0.23 -0.62 1.48 1.63 -2.00 0.87 116.57 115.95 1h1j h LYS 28 Ca -0.53 -0.01 -0.01 0.00 -0.85 0.00 0.00 60.65 59.24 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 0.48 0.15 0.33 -0.91 -3.45 0.00 0.00 179.45 176.05 1h1j h ASN 29 N 0.24 0.76 -0.89 4.20 2.35 -1.99 -0.65 115.58 119.60 1h1j h ASN 29 Ca 0.29 -0.06 0.02 0.00 -0.55 0.00 0.00 56.30 56.00 1h1j h ASN 29 Cb 0.41 -0.19 -0.05 0.00 0.05 0.00 0.00 38.32 38.54 1h1j h ASN 29 CO -0.38 0.62 0.58 -0.33 -1.65 0.00 0.00 177.43 176.28 1h1j h GLU 30 N 0.86 1.13 -0.13 0.81 4.39 -1.18 0.45 114.58 120.91 1h1j h GLU 30 Ca 0.22 -0.07 -0.01 0.00 0.34 0.00 0.00 59.36 59.84 1h1j h GLU 30 Cb 0.04 -0.25 -0.01 0.00 -0.10 0.00 0.00 28.75 28.43 1h1j h GLU 30 CO -0.03 0.75 0.05 -0.07 -1.16 0.00 0.00 179.01 178.55 1h1j h LEU 31 N 1.16 0.17 -0.41 1.33 -0.00 -0.08 0.46 115.31 117.95 1h1j h LEU 31 Ca 0.34 -0.16 0.00 0.00 -0.00 0.00 0.00 57.88 58.07 1h1j h LEU 31 Cb -0.07 -0.05 -0.02 0.00 -0.00 0.00 0.00 40.66 40.52 1h1j h LEU 31 CO -0.09 0.28 0.27 1.62 -0.00 0.00 0.00 178.44 180.52 1h1j h VAL 32 N 0.06 1.11 -0.32 1.22 3.04 -0.43 -1.27 116.25 119.65 1h1j h VAL 32 Ca 0.04 -0.22 -0.09 0.00 -1.01 0.00 0.00 66.70 65.42 1h1j h VAL 32 Cb 0.16 0.52 -0.02 0.00 -2.01 0.00 0.00 31.29 29.95 1h1j h VAL 32 CO -0.00 0.11 -0.19 1.56 -1.01 0.00 0.00 177.57 178.04 1h1j h GLN 33 N 0.56 0.59 -0.27 4.17 4.20 0.09 -1.82 115.11 122.62 1h1j h GLN 33 Ca 0.15 -0.20 -0.09 0.00 0.06 0.00 0.00 58.65 58.57 1h1j h GLN 33 Cb -0.05 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 27.68 1h1j h GLN 33 CO -0.03 0.74 -0.18 -0.09 -0.67 0.00 0.00 178.83 178.61 1h1j h ARG 34 N 0.53 0.60 -0.10 1.46 2.43 0.48 0.45 114.38 120.23 1h1j h ARG 34 Ca 0.08 -0.28 -0.04 0.00 -0.81 0.00 0.00 59.98 58.94 1h1j h ARG 34 Cb 0.62 -0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 30.16 1h1j h ARG 34 CO 0.04 0.86 -0.08 -0.07 -1.51 0.00 0.00 179.97 179.21 1h1j h LEU 35 N 0.33 0.24 -0.35 3.80 3.38 -1.19 0.41 115.31 121.94 1h1j h LEU 35 Ca 0.06 -0.46 -0.09 0.00 0.09 0.00 0.00 57.88 57.47 1h1j h LEU 35 Cb 0.71 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.38 1h1j h LEU 35 CO 0.05 0.66 -0.15 0.40 0.09 0.00 0.00 178.44 179.49 1h1j h ILE 36 N -0.17 1.29 -0.11 1.22 2.04 -1.37 0.47 117.51 120.89 1h1j h ILE 36 Ca 0.02 -1.25 -0.06 0.00 1.00 0.00 0.00 64.86 64.56 1h1j h ILE 36 Cb 0.58 1.36 -0.00 0.00 -0.74 0.00 0.00 36.82 38.02 1h1j h ILE 36 CO 0.02 0.41 -0.18 0.50 0.00 0.00 0.00 178.15 178.90 1h1j h LYS 37 N 0.49 0.31 -0.25 2.37 1.63 -0.12 -1.31 116.57 119.70 1h1j h LYS 37 Ca 0.08 -0.19 -0.13 0.00 -0.85 0.00 0.00 60.65 59.56 1h1j h LYS 37 Cb 0.68 0.02 -0.01 0.00 -0.60 0.00 0.00 32.23 32.32 1h1j h LYS 37 CO 0.05 0.78 -0.37 0.22 -3.45 0.00 0.00 179.45 176.67 1h1j h ASP 38 N -0.12 0.59 0.66 4.20 1.82 -0.18 -2.97 116.42 120.42 1h1j h ASP 38 Ca 0.01 -0.25 -0.14 0.00 -0.39 0.00 0.00 57.03 56.26 1h1j h ASP 38 Cb 0.75 -0.16 -0.02 0.00 0.68 0.00 0.00 39.33 40.58 1h1j h ASP 38 CO 0.04 0.90 -0.67 -0.78 -1.61 0.00 0.00 179.24 177.13 1h1j h ASP 39 N 0.47 0.00 -0.08 2.28 3.58 -0.05 -3.23 116.42 119.38 1h1j h ASP 39 Ca 0.05 -0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.49 1h1j h ASP 39 Cb 0.86 -0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.91 1h1j h ASP 39 CO 0.07 0.67 0.03 -0.08 -2.88 0.00 0.00 179.24 177.05 1h1j h GLU 40 N 0.00 0.13 -6.89 0.28 4.22 -1.07 -3.44 114.58 107.80 1h1j h GLU 40 Ca -0.01 -0.02 -0.47 0.00 0.08 0.00 0.00 59.36 58.94 1h1j h GLU 40 Cb 1.18 -0.02 0.22 0.00 0.50 0.00 0.00 28.75 30.63 1h1j h GLU 40 CO 0.09 0.26 -0.53 0.39 -2.18 0.00 0.00 179.01 177.04 1h1j n GLU 41 N -4.93 -1.50 -3.20 1.92 1.02 -1.18 -3.70 120.64 109.08 1h1j n GLU 41 Ca -0.06 -0.41 -0.15 0.00 -0.02 0.00 0.00 57.16 56.52 1h1j n GLU 41 Cb 0.12 -1.94 0.06 0.00 -0.02 0.00 0.00 31.44 29.65 1h1j n GLU 41 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1h1j n SER 42 N -2.88 -4.19 0.05 1.62 2.88 -1.26 -4.97 113.62 104.88 1h1j n SER 42 Ca 0.04 -0.40 -0.03 0.00 -1.33 0.00 0.00 58.87 57.15 1h1j n SER 42 Cb 0.57 -3.73 -0.01 0.00 -0.75 0.00 0.00 64.21 60.28 1h1j n SER 42 CO 0.00 0.00 0.00 0.11 -1.23 0.00 0.00 175.04 173.92 1h1j h LYS 43 N -1.75 -0.17 0.00 -1.46 1.79 -1.89 -3.53 116.57 109.56 1h1j h LYS 43 Ca -0.41 0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.07 1h1j h LYS 43 Cb 1.26 0.04 0.00 0.00 -1.58 0.00 0.00 32.23 31.94 1h1j h LYS 43 CO 0.38 -0.12 0.00 0.41 -1.08 0.00 0.00 179.45 179.05