#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 -4.95 -3.23 1.61 7.64 -1.26 -4.90 113.62 108.53 1h1j n SER 2 Ca 0.00 -0.86 -0.36 0.00 1.01 0.00 0.00 58.87 58.66 1h1j n SER 2 Cb 0.00 -4.22 0.01 0.00 -1.01 0.00 0.00 64.21 58.99 1h1j n SER 2 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1h1j n ALA 3 N -3.85 5.77 -1.81 -0.43 0.00 -1.26 -4.66 120.51 114.27 1h1j n ALA 3 Ca -0.13 -4.51 0.00 0.00 0.00 0.00 0.00 53.44 48.80 1h1j n ALA 3 Cb 0.62 -1.67 0.00 0.00 0.00 0.00 0.00 19.45 18.40 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 -0.24 0.00 -0.21 0.00 5.68 -1.26 -4.88 116.55 115.65 1h1j n ASP 4 Ca 0.44 0.00 0.30 0.00 -0.50 0.00 0.00 54.79 55.03 1h1j n ASP 4 Cb 0.32 0.00 0.73 0.00 -1.14 0.00 0.00 41.12 41.03 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 -3.36 116.97 113.82 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 -4.22 0.00 -2.78 3.88 7.64 -1.26 -1.44 113.62 115.43 1h1j n SER 6 Ca 0.20 0.00 -0.10 0.00 1.01 0.00 0.00 58.87 59.98 1h1j n SER 6 Cb 1.03 0.00 0.07 0.00 -1.01 0.00 0.00 64.21 64.30 1h1j n SER 6 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1h1j n SER 7 N 0.00 -1.09 -3.96 6.43 2.88 -1.26 -4.93 113.62 111.70 1h1j n SER 7 Ca 0.00 -3.00 -0.30 0.00 -1.33 0.00 0.00 58.87 54.25 1h1j n SER 7 Cb 0.00 0.82 0.22 0.00 -0.75 0.00 0.00 64.21 64.50 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 -2.76 1.17 0.28 2.46 1.43 -0.52 -4.99 118.68 115.74 1h1j s LEU 8 Ca 0.26 0.61 -0.25 0.00 -1.03 0.00 0.00 54.13 53.72 1h1j s LEU 8 Cb 0.37 -2.45 -0.09 0.00 0.03 0.00 0.00 46.19 44.05 1h1j s LEU 8 CO -0.05 -3.75 0.88 0.28 0.23 0.00 0.00 176.35 173.93 1h1j s THR 9 N -3.18 4.30 0.44 5.49 -1.32 -1.26 -4.80 115.64 115.31 1h1j s THR 9 Ca 0.71 1.70 0.23 0.00 -1.21 0.00 0.00 61.69 63.12 1h1j s THR 9 Cb -0.09 -4.00 0.43 0.00 -1.51 0.00 0.00 72.50 67.33 1h1j s THR 9 CO 0.55 0.20 1.78 1.62 -2.21 0.00 0.00 174.62 176.57 1h1j h VAL 10 N 2.71 0.49 -0.24 5.08 3.04 -1.94 0.25 116.25 125.65 1h1j h VAL 10 Ca -0.47 -0.10 -0.04 0.00 -1.01 0.00 0.00 66.70 65.08 1h1j h VAL 10 Cb 1.19 0.19 -0.01 0.00 -2.01 0.00 0.00 31.29 30.65 1h1j h VAL 10 CO 0.65 0.05 -0.02 1.62 -1.01 0.00 0.00 177.57 178.86 1h1j h VAL 11 N 0.28 1.27 -0.08 1.51 3.04 -1.98 -1.26 116.25 119.02 1h1j h VAL 11 Ca 0.58 -0.96 -0.18 0.00 -1.01 0.00 0.00 66.70 65.14 1h1j h VAL 11 Cb 1.70 1.42 -0.01 0.00 -2.01 0.00 0.00 31.29 32.39 1h1j h VAL 11 CO -0.22 0.30 -0.71 0.06 -1.01 0.00 0.00 177.57 175.99 1h1j h GLN 12 N 0.20 0.39 -0.98 4.17 -0.00 -1.24 0.52 115.11 118.16 1h1j h GLN 12 Ca 0.07 -0.31 0.04 0.00 -0.00 0.00 0.00 58.65 58.45 1h1j h GLN 12 Cb 0.45 0.06 -0.06 0.00 -0.00 0.00 0.00 27.48 27.93 1h1j h GLN 12 CO 0.02 0.94 0.64 -0.07 -0.00 0.00 0.00 178.83 180.36 1h1j h LEU 13 N 0.27 1.06 -0.95 0.06 4.07 -0.54 0.35 115.31 119.63 1h1j h LEU 13 Ca -0.03 -0.01 -0.11 0.00 0.08 0.00 0.00 57.88 57.82 1h1j h LEU 13 Cb 1.27 -0.24 -0.01 0.00 1.08 0.00 0.00 40.66 42.76 1h1j h LEU 13 CO 0.12 0.71 -0.50 0.50 -1.08 0.00 0.00 178.44 178.19 1h1j h LYS 14 N 1.22 0.06 -0.04 1.13 3.64 -0.87 -2.18 116.57 119.53 1h1j h LYS 14 Ca 0.40 -0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.74 1h1j h LYS 14 Cb 0.04 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 31.86 1h1j h LYS 14 CO -0.13 0.55 0.00 0.22 -2.27 0.00 0.00 179.45 177.82 1h1j h ASP 15 N 0.05 0.06 -0.38 4.20 3.58 0.19 0.56 116.42 124.67 1h1j h ASP 15 Ca -0.00 -0.28 -0.04 0.00 0.42 0.00 0.00 57.03 57.13 1h1j h ASP 15 Cb 0.90 -0.02 -0.02 0.00 1.72 0.00 0.00 39.33 41.92 1h1j h ASP 15 CO 0.07 0.32 0.08 0.17 -2.88 0.00 0.00 179.24 177.00 1h1j h LEU 16 N -0.20 0.59 -0.74 2.28 -0.00 -1.01 -1.51 115.31 114.73 1h1j h LEU 16 Ca 0.01 -0.24 -0.11 0.00 -0.00 0.00 0.00 57.88 57.54 1h1j h LEU 16 Cb 0.29 -0.16 -0.01 0.00 -0.00 0.00 0.00 40.66 40.78 1h1j h LEU 16 CO 0.00 0.68 -0.26 -0.07 -0.00 0.00 0.00 178.44 178.78 1h1j h LEU 17 N 0.47 0.69 -0.80 0.17 3.38 -1.34 0.57 115.31 118.45 1h1j h LEU 17 Ca 0.12 -0.26 0.01 0.00 0.09 0.00 0.00 57.88 57.84 1h1j h LEU 17 Cb 0.32 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 40.84 1h1j h LEU 17 CO 0.00 0.93 0.53 0.71 0.09 0.00 0.00 178.44 180.70 1h1j h THR 18 N 0.59 1.19 0.00 0.22 1.35 0.34 0.19 112.91 116.78 1h1j h THR 18 Ca 0.08 -0.37 0.00 0.00 -0.55 0.00 0.00 66.41 65.57 1h1j h THR 18 Cb 0.75 0.03 0.00 0.00 -1.73 0.00 0.00 68.15 67.20 1h1j h THR 18 CO 0.06 0.20 0.00 1.17 -0.25 0.00 0.00 175.52 176.70 1h1j n LYS 19 N -4.54 0.21 -0.12 4.72 4.81 -0.59 -3.00 118.16 119.65 1h1j n LYS 19 Ca 0.08 0.20 0.06 0.00 -0.87 0.00 0.00 58.31 57.79 1h1j n LYS 19 Cb 0.03 -1.76 0.21 0.00 0.02 0.00 0.00 35.03 33.53 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 -2.13 1.63 -1.49 1.64 0.63 0.19 -4.84 116.66 112.29 1h1j n ARG 20 Ca 0.05 -0.97 -0.16 0.00 -0.92 0.00 0.00 57.85 55.86 1h1j n ARG 20 Cb 0.39 -1.27 -0.06 0.00 0.45 0.00 0.00 32.46 31.97 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 0.25 -4.87 -3.66 6.15 5.15 -0.99 -4.93 115.26 112.36 1h1j n ASN 21 Ca 0.11 0.37 -0.08 0.00 -0.60 0.00 0.00 54.58 54.38 1h1j n ASN 21 Cb 0.25 -3.76 -0.09 0.00 -0.53 0.00 0.00 39.78 35.65 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 -3.60 -0.60 0.00 1.20 1.98 -0.26 -5.05 118.68 112.36 1h1j s LEU 22 Ca 0.00 1.08 0.00 0.00 -2.89 0.00 0.00 54.13 52.32 1h1j s LEU 22 Cb 0.00 1.55 0.00 0.00 0.66 0.00 0.00 46.19 48.40 1h1j s LEU 22 CO 0.00 -0.22 0.00 -1.20 -1.89 0.00 0.00 176.35 173.04 1h1j n SER 23 N 5.05 0.00 -4.71 3.68 7.64 -1.25 -3.26 113.62 120.76 1h1j n SER 23 Ca -0.13 -0.79 -0.23 0.00 1.01 0.00 0.00 58.87 58.73 1h1j n SER 23 Cb 0.51 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.65 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 -0.75 3.81 0.00 0.44 -7.23 -1.26 -4.87 120.40 110.54 1h1j s VAL 24 Ca 0.00 -1.73 0.00 0.00 -1.81 0.00 0.00 61.98 58.44 1h1j s VAL 24 Cb 0.00 -3.04 0.00 0.00 0.56 0.00 0.00 36.38 33.90 1h1j s VAL 24 CO 0.00 -0.36 0.00 0.61 -0.31 0.00 0.00 175.10 175.04 1h1j n GLY 25 N -0.99 -0.55 0.17 2.32 0.00 -1.26 -4.93 105.19 99.95 1h1j n GLY 25 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.95 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 -0.96 3.61 -0.02 0.00 -1.26 -4.93 105.19 101.62 1h1j n GLY 26 Ca 0.00 0.26 -0.29 0.00 0.00 0.00 0.00 46.02 45.99 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 -2.25 1.48 0.20 0.99 2.34 -1.26 -4.67 118.68 115.51 1h1j s LEU 27 Ca 0.00 1.44 -0.11 0.00 0.06 0.00 0.00 54.13 55.52 1h1j s LEU 27 Cb 0.00 -3.57 0.26 0.00 -0.56 0.00 0.00 46.19 42.32 1h1j s LEU 27 CO 0.00 -3.49 1.70 0.50 -1.06 0.00 0.00 176.35 174.00 1h1j h LYS 28 N -2.14 0.22 -0.52 1.48 1.63 -1.99 -1.01 116.57 114.25 1h1j h LYS 28 Ca -0.56 -0.01 -0.06 0.00 -0.85 0.00 0.00 60.65 59.16 1h1j h LYS 28 Cb 1.32 -0.05 -0.02 0.00 -0.60 0.00 0.00 32.23 32.88 1h1j h LYS 28 CO 0.53 0.15 0.07 -0.91 -3.45 0.00 0.00 179.45 175.84 1h1j h ASN 29 N 0.23 0.83 -0.86 4.20 2.35 -1.99 -1.35 115.58 119.00 1h1j h ASN 29 Ca 0.29 -0.27 0.09 0.00 -0.55 0.00 0.00 56.30 55.87 1h1j h ASN 29 Cb 0.43 -0.22 -0.06 0.00 0.05 0.00 0.00 38.32 38.52 1h1j h ASN 29 CO -0.40 0.89 0.56 -0.33 -1.65 0.00 0.00 177.43 176.50 1h1j h GLU 30 N 0.75 0.84 -0.12 0.81 4.39 -1.63 0.47 114.58 120.08 1h1j h GLU 30 Ca 0.16 -0.05 -0.01 0.00 0.34 0.00 0.00 59.36 59.79 1h1j h GLU 30 Cb 0.42 -0.19 -0.01 0.00 -0.10 0.00 0.00 28.75 28.88 1h1j h GLU 30 CO 0.01 0.55 0.03 -0.07 -1.16 0.00 0.00 179.01 178.38 1h1j h LEU 31 N 0.86 0.18 -0.41 1.33 -0.00 -0.58 0.44 115.31 117.14 1h1j h LEU 31 Ca 0.39 -0.21 -0.00 0.00 -0.00 0.00 0.00 57.88 58.06 1h1j h LEU 31 Cb 0.37 -0.05 -0.02 0.00 -0.00 0.00 0.00 40.66 40.97 1h1j h LEU 31 CO -0.16 0.35 0.26 1.62 -0.00 0.00 0.00 178.44 180.51 1h1j h VAL 32 N 0.01 1.12 -0.32 1.22 3.04 -0.03 -1.44 116.25 119.85 1h1j h VAL 32 Ca 0.04 -0.27 -0.10 0.00 -1.01 0.00 0.00 66.70 65.37 1h1j h VAL 32 Cb 0.23 0.56 -0.01 0.00 -2.01 0.00 0.00 31.29 30.06 1h1j h VAL 32 CO -0.00 0.12 -0.20 1.56 -1.01 0.00 0.00 177.57 178.04 1h1j h GLN 33 N 0.54 0.60 -0.27 4.17 4.20 0.04 -1.92 115.11 122.48 1h1j h GLN 33 Ca 0.15 -0.22 -0.09 0.00 0.06 0.00 0.00 58.65 58.55 1h1j h GLN 33 Cb -0.02 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 27.71 1h1j h GLN 33 CO -0.03 0.77 -0.17 -0.09 -0.67 0.00 0.00 178.83 178.64 1h1j h ARG 34 N 0.54 0.59 -0.12 1.46 2.43 0.36 0.45 114.38 120.10 1h1j h ARG 34 Ca 0.08 -0.28 -0.04 0.00 -0.81 0.00 0.00 59.98 58.93 1h1j h ARG 34 Cb 0.65 -0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 30.19 1h1j h ARG 34 CO 0.05 0.86 -0.09 -0.07 -1.51 0.00 0.00 179.97 179.20 1h1j h LEU 35 N 0.32 0.28 -0.31 3.80 3.38 -1.22 0.47 115.31 122.03 1h1j h LEU 35 Ca 0.05 -0.46 -0.10 0.00 0.09 0.00 0.00 57.88 57.47 1h1j h LEU 35 Cb 0.70 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.37 1h1j h LEU 35 CO 0.05 0.68 -0.20 0.40 0.09 0.00 0.00 178.44 179.46 1h1j h ILE 36 N -0.11 1.29 -0.08 1.22 2.04 -1.38 0.41 117.51 120.89 1h1j h ILE 36 Ca 0.02 -1.32 -0.05 0.00 1.00 0.00 0.00 64.86 64.50 1h1j h ILE 36 Cb 0.59 1.47 0.00 0.00 -0.74 0.00 0.00 36.82 38.14 1h1j h ILE 36 CO 0.02 0.43 -0.16 0.50 0.00 0.00 0.00 178.15 178.94 1h1j h LYS 37 N 0.44 0.25 -0.20 2.37 1.63 -0.12 -1.04 116.57 119.91 1h1j h LYS 37 Ca 0.06 -0.16 -0.06 0.00 -0.85 0.00 0.00 60.65 59.64 1h1j h LYS 37 Cb 0.74 0.02 -0.00 0.00 -0.60 0.00 0.00 32.23 32.38 1h1j h LYS 37 CO 0.05 0.75 -0.13 0.22 -3.45 0.00 0.00 179.45 176.89 1h1j h ASP 38 N -0.21 0.46 0.36 4.20 1.82 -0.09 -2.57 116.42 120.39 1h1j h ASP 38 Ca 0.00 -0.43 -0.07 0.00 -0.39 0.00 0.00 57.03 56.14 1h1j h ASP 38 Cb 0.74 -0.13 -0.01 0.00 0.68 0.00 0.00 39.33 40.61 1h1j h ASP 38 CO 0.04 0.79 -0.32 -0.78 -1.61 0.00 0.00 179.24 177.36 1h1j h ASP 39 N 0.13 0.00 -0.10 2.28 1.82 -0.26 -2.77 116.42 117.51 1h1j h ASP 39 Ca 0.04 0.00 -0.15 0.00 -0.39 0.00 0.00 57.03 56.53 1h1j h ASP 39 Cb 0.64 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 40.64 1h1j h ASP 39 CO 0.04 0.32 -0.47 -0.08 -1.61 0.00 0.00 179.24 177.44 1h1j h GLU 40 N 0.00 0.66 -6.16 0.28 4.81 -1.06 -3.41 114.58 109.70 1h1j h GLU 40 Ca -0.00 -0.37 -0.56 0.00 -0.13 0.00 0.00 59.36 58.29 1h1j h GLU 40 Cb 0.59 0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.97 1h1j h GLU 40 CO 0.04 0.99 1.33 -2.00 -0.73 0.00 0.00 179.01 178.64 1h1j s GLU 41 N -4.17 3.14 0.00 1.92 2.12 -0.98 -4.96 118.70 115.77 1h1j s GLU 41 Ca -0.08 1.38 -0.15 0.00 0.36 0.00 0.00 54.97 56.47 1h1j s GLU 41 Cb 0.12 -4.26 -0.06 0.00 0.26 0.00 0.00 34.13 30.18 1h1j s GLU 41 CO 0.85 -2.09 0.43 0.45 -0.54 0.00 0.00 175.26 174.36 1h1j s SER 42 N 6.96 6.84 0.33 -1.70 0.15 -1.26 -4.99 113.70 120.02 1h1j s SER 42 Ca 0.81 0.99 -0.28 0.00 0.70 0.00 0.00 55.95 58.18 1h1j s SER 42 Cb -0.22 -2.27 -0.10 0.00 -1.71 0.00 0.00 66.02 61.73 1h1j s SER 42 CO 0.31 0.31 1.19 -0.54 1.20 0.00 0.00 173.24 175.72 1h1j s LYS 43 N -1.01 4.39 0.00 5.44 1.02 -1.26 -5.23 119.74 123.08 1h1j s LYS 43 Ca 0.24 1.96 0.00 0.00 0.02 0.00 0.00 55.97 58.20 1h1j s LYS 43 Cb -0.17 -3.01 0.00 0.00 -0.52 0.00 0.00 37.83 34.13 1h1j s LYS 43 CO 0.14 -0.07 0.00 0.41 -0.92 0.00 0.00 175.35 174.91