#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 5.49 -2.75 1.61 7.64 -1.26 -4.61 113.62 119.74 1h1j n SER 2 Ca 0.00 -3.19 -0.03 0.00 1.01 0.00 0.00 58.87 56.66 1h1j n SER 2 Cb 0.00 -1.42 0.04 0.00 -1.01 0.00 0.00 64.21 61.82 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 3.19 2.91 -1.98 -0.43 0.00 -1.26 -4.89 120.51 118.05 1h1j n ALA 3 Ca 0.35 -2.90 0.00 0.00 0.00 0.00 0.00 53.44 50.90 1h1j n ALA 3 Cb 0.36 -0.84 0.00 0.00 0.00 0.00 0.00 19.45 18.96 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 -0.53 0.00 -0.22 0.00 5.68 -1.26 -4.84 116.55 115.38 1h1j n ASP 4 Ca 0.10 0.00 0.31 0.00 -0.50 0.00 0.00 54.79 54.70 1h1j n ASP 4 Cb 0.81 0.00 0.73 0.00 -1.14 0.00 0.00 41.12 41.52 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 -1.94 -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 0.43 -1.05 0.00 0.00 178.16 177.54 1h1j n SER 6 N -4.08 0.00 -2.81 3.88 7.64 -1.26 -1.53 113.62 115.46 1h1j n SER 6 Ca 0.21 0.00 -0.10 0.00 1.01 0.00 0.00 58.87 59.99 1h1j n SER 6 Cb 1.10 0.00 0.06 0.00 -1.01 0.00 0.00 64.21 64.36 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 -0.60 -1.07 -4.43 6.43 7.64 -1.25 -4.92 113.62 115.41 1h1j n SER 7 Ca 0.00 -3.12 -0.29 0.00 1.01 0.00 0.00 58.87 56.47 1h1j n SER 7 Cb 0.00 0.85 0.17 0.00 -1.01 0.00 0.00 64.21 64.22 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 -2.65 1.82 0.32 -3.43 1.43 -0.58 -4.99 118.68 110.59 1h1j s LEU 8 Ca 0.26 0.76 -0.27 0.00 -1.03 0.00 0.00 54.13 53.85 1h1j s LEU 8 Cb 0.35 -2.88 -0.09 0.00 0.03 0.00 0.00 46.19 43.60 1h1j s LEU 8 CO -0.05 -2.99 1.02 -0.89 0.23 0.00 0.00 176.35 173.67 1h1j s THR 9 N -3.32 3.82 0.38 5.49 2.01 -1.26 -4.77 115.64 117.99 1h1j s THR 9 Ca 0.68 1.61 0.16 0.00 0.31 0.00 0.00 61.69 64.45 1h1j s THR 9 Cb -0.12 -3.94 0.37 0.00 0.01 0.00 0.00 72.50 68.83 1h1j s THR 9 CO 0.54 0.22 1.76 1.62 -0.69 0.00 0.00 174.62 178.07 1h1j h VAL 10 N 2.70 0.53 -0.31 3.82 3.04 -1.94 0.32 116.25 124.41 1h1j h VAL 10 Ca -0.47 -0.15 -0.04 0.00 -1.01 0.00 0.00 66.70 65.03 1h1j h VAL 10 Cb 1.21 0.05 -0.01 0.00 -2.01 0.00 0.00 31.29 30.53 1h1j h VAL 10 CO 0.65 0.08 0.05 1.62 -1.01 0.00 0.00 177.57 178.97 1h1j h VAL 11 N 0.44 1.23 -0.11 1.51 3.04 -1.99 -1.31 116.25 119.06 1h1j h VAL 11 Ca 0.60 -0.80 -0.17 0.00 -1.01 0.00 0.00 66.70 65.32 1h1j h VAL 11 Cb 1.43 1.15 -0.01 0.00 -2.01 0.00 0.00 31.29 31.86 1h1j h VAL 11 CO -0.33 0.26 -0.65 0.06 -1.01 0.00 0.00 177.57 175.90 1h1j h GLN 12 N 0.35 0.44 -0.95 4.17 -0.00 -1.15 0.31 115.11 118.27 1h1j h GLN 12 Ca 0.10 -0.32 0.04 0.00 -0.00 0.00 0.00 58.65 58.46 1h1j h GLN 12 Cb 0.34 0.06 -0.06 0.00 -0.00 0.00 0.00 27.48 27.82 1h1j h GLN 12 CO 0.01 0.95 0.63 -0.07 -0.00 0.00 0.00 178.83 180.34 1h1j h LEU 13 N 0.32 1.03 -0.99 0.06 4.07 -0.38 0.32 115.31 119.75 1h1j h LEU 13 Ca -0.02 -0.01 -0.11 0.00 0.08 0.00 0.00 57.88 57.83 1h1j h LEU 13 Cb 1.21 -0.24 -0.01 0.00 1.08 0.00 0.00 40.66 42.70 1h1j h LEU 13 CO 0.11 0.71 -0.48 0.50 -1.08 0.00 0.00 178.44 178.21 1h1j h LYS 14 N 1.20 0.06 0.01 1.13 1.63 -0.86 -2.17 116.57 117.58 1h1j h LYS 14 Ca 0.38 -0.03 -0.00 0.00 -0.85 0.00 0.00 60.65 60.15 1h1j h LYS 14 Cb 0.01 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.64 1h1j h LYS 14 CO -0.12 0.53 -0.01 0.22 -3.45 0.00 0.00 179.45 176.63 1h1j h ASP 15 N 0.05 -0.02 -0.38 4.20 3.58 0.17 0.67 116.42 124.70 1h1j h ASP 15 Ca -0.00 -0.28 -0.02 0.00 0.42 0.00 0.00 57.03 57.14 1h1j h ASP 15 Cb 0.86 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.90 1h1j h ASP 15 CO 0.06 0.28 0.14 0.17 -2.88 0.00 0.00 179.24 177.01 1h1j h LEU 16 N -0.31 0.53 -0.93 2.28 -0.00 -1.09 -1.49 115.31 114.30 1h1j h LEU 16 Ca -0.00 -0.18 -0.10 0.00 -0.00 0.00 0.00 57.88 57.59 1h1j h LEU 16 Cb 0.30 -0.14 -0.01 0.00 -0.00 0.00 0.00 40.66 40.81 1h1j h LEU 16 CO 0.00 0.57 -0.33 -0.07 -0.00 0.00 0.00 178.44 178.61 1h1j h LEU 17 N 0.47 0.39 -0.68 0.17 3.38 -1.35 0.46 115.31 118.15 1h1j h LEU 17 Ca 0.13 -0.15 0.02 0.00 0.09 0.00 0.00 57.88 57.96 1h1j h LEU 17 Cb 0.21 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 40.82 1h1j h LEU 17 CO -0.01 0.70 0.44 0.74 0.09 0.00 0.00 178.44 180.40 1h1j h THR 18 N 0.33 1.14 0.00 0.22 2.02 0.74 0.17 112.91 117.53 1h1j h THR 18 Ca 0.04 -0.30 0.00 0.00 0.77 0.00 0.00 66.41 66.92 1h1j h THR 18 Cb 0.74 0.18 0.00 0.00 -1.74 0.00 0.00 68.15 67.33 1h1j h THR 18 CO 0.06 0.16 0.00 0.29 0.37 0.00 0.00 175.52 176.40 1h1j n LYS 19 N -4.64 0.23 -0.01 6.66 5.02 -0.60 -2.91 118.16 121.91 1h1j n LYS 19 Ca 0.06 0.22 0.14 0.00 -2.02 0.00 0.00 58.31 56.72 1h1j n LYS 19 Cb 0.05 -1.78 0.62 0.00 -0.02 0.00 0.00 35.03 33.89 1h1j n LYS 19 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 1h1j n ARG 20 N -2.19 1.50 -1.71 1.97 0.63 0.16 -4.87 116.66 112.14 1h1j n ARG 20 Ca 0.05 -0.72 -0.15 0.00 -0.92 0.00 0.00 57.85 56.11 1h1j n ARG 20 Cb 0.39 -1.47 -0.05 0.00 0.45 0.00 0.00 32.46 31.78 1h1j n ARG 20 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 1h1j n ASN 21 N -0.11 -4.70 -3.33 6.15 3.02 -0.65 -4.92 115.26 110.72 1h1j n ASN 21 Ca 0.20 0.24 -0.13 0.00 -0.03 0.00 0.00 54.58 54.87 1h1j n ASN 21 Cb 0.29 -3.62 -0.06 0.00 -0.61 0.00 0.00 39.78 35.77 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 -3.68 -0.42 0.00 3.41 1.98 -0.46 -5.05 118.68 114.45 1h1j s LEU 22 Ca 0.00 -1.31 -0.01 0.00 -2.89 0.00 0.00 54.13 49.92 1h1j s LEU 22 Cb 0.00 0.89 0.02 0.00 0.66 0.00 0.00 46.19 47.76 1h1j s LEU 22 CO 0.00 -0.25 0.04 -1.20 -1.89 0.00 0.00 176.35 173.05 1h1j n SER 23 N 4.38 -1.42 -4.74 3.68 7.64 -1.25 -4.31 113.62 117.61 1h1j n SER 23 Ca 0.10 -0.04 -0.22 0.00 1.01 0.00 0.00 58.87 59.71 1h1j n SER 23 Cb 0.48 -0.06 -0.06 0.00 -1.01 0.00 0.00 64.21 63.56 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 -0.74 3.73 0.00 0.44 -7.23 -1.26 -4.88 120.40 110.47 1h1j s VAL 24 Ca 0.03 -1.66 0.00 0.00 -1.81 0.00 0.00 61.98 58.54 1h1j s VAL 24 Cb -0.01 -3.08 0.00 0.00 0.56 0.00 0.00 36.38 33.85 1h1j s VAL 24 CO 0.03 -0.32 0.00 0.61 -0.31 0.00 0.00 175.10 175.11 1h1j n GLY 25 N -1.07 -0.22 2.08 2.32 0.00 -1.25 -4.92 105.19 102.13 1h1j n GLY 25 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.96 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 -1.07 3.92 -0.02 0.00 -1.26 -4.94 105.19 101.82 1h1j n GLY 26 Ca 0.00 0.17 -0.27 0.00 0.00 0.00 0.00 46.02 45.92 1h1j n GLY 26 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1h1j s LEU 27 N -5.65 3.03 0.22 0.99 1.43 -1.26 -4.84 118.68 112.59 1h1j s LEU 27 Ca 0.00 0.67 -0.08 0.00 -1.03 0.00 0.00 54.13 53.68 1h1j s LEU 27 Cb 0.00 -3.42 0.33 0.00 0.03 0.00 0.00 46.19 43.13 1h1j s LEU 27 CO 0.00 -1.31 1.72 0.50 0.23 0.00 0.00 176.35 177.50 1h1j h LYS 28 N -0.40 0.34 -0.35 1.70 1.63 -1.99 0.06 116.57 117.55 1h1j h LYS 28 Ca -0.45 -0.02 -0.07 0.00 -0.85 0.00 0.00 60.65 59.25 1h1j h LYS 28 Cb 1.28 -0.08 -0.01 0.00 -0.60 0.00 0.00 32.23 32.82 1h1j h LYS 28 CO 0.61 0.23 -0.07 -0.91 -3.45 0.00 0.00 179.45 175.85 1h1j h ASN 29 N 0.35 0.67 -0.67 4.20 2.35 -1.99 -1.38 115.58 119.12 1h1j h ASN 29 Ca 0.34 -0.36 0.12 0.00 -0.55 0.00 0.00 56.30 55.85 1h1j h ASN 29 Cb 0.48 -0.18 -0.04 0.00 0.05 0.00 0.00 38.32 38.62 1h1j h ASN 29 CO -0.37 0.87 0.45 -0.33 -1.65 0.00 0.00 177.43 176.40 1h1j h GLU 30 N 0.46 0.39 -0.05 0.81 4.39 -1.58 0.46 114.58 119.45 1h1j h GLU 30 Ca 0.09 -0.02 -0.02 0.00 0.34 0.00 0.00 59.36 59.74 1h1j h GLU 30 Cb 0.57 -0.09 -0.00 0.00 -0.10 0.00 0.00 28.75 29.14 1h1j h GLU 30 CO 0.03 0.26 -0.06 -0.07 -1.16 0.00 0.00 179.01 178.01 1h1j h LEU 31 N 0.40 0.15 -0.54 1.33 -0.00 -0.55 0.86 115.31 116.96 1h1j h LEU 31 Ca 0.32 -0.51 0.04 0.00 -0.00 0.00 0.00 57.88 57.73 1h1j h LEU 31 Cb 0.70 -0.04 -0.04 0.00 -0.00 0.00 0.00 40.66 41.27 1h1j h LEU 31 CO -0.09 0.62 0.29 1.62 -0.00 0.00 0.00 178.44 180.88 1h1j h VAL 32 N -0.33 0.99 -0.32 1.22 3.04 0.08 -1.16 116.25 119.77 1h1j h VAL 32 Ca 0.01 -0.19 -0.10 0.00 -1.01 0.00 0.00 66.70 65.40 1h1j h VAL 32 Cb 0.59 0.37 -0.01 0.00 -2.01 0.00 0.00 31.29 30.23 1h1j h VAL 32 CO 0.01 0.10 -0.23 1.56 -1.01 0.00 0.00 177.57 178.01 1h1j h GLN 33 N 0.56 0.62 -0.27 4.17 4.20 -0.14 -1.80 115.11 122.46 1h1j h GLN 33 Ca 0.23 -0.24 -0.09 0.00 0.06 0.00 0.00 58.65 58.61 1h1j h GLN 33 Cb 0.11 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 27.85 1h1j h GLN 33 CO -0.14 0.80 -0.18 -0.09 -0.67 0.00 0.00 178.83 178.55 1h1j h ARG 34 N 0.55 0.60 -0.10 1.46 2.43 -0.05 0.42 114.38 119.68 1h1j h ARG 34 Ca 0.08 -0.28 -0.05 0.00 -0.81 0.00 0.00 59.98 58.92 1h1j h ARG 34 Cb 0.69 -0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 30.23 1h1j h ARG 34 CO 0.05 0.87 -0.12 -0.07 -1.51 0.00 0.00 179.97 179.19 1h1j h LEU 35 N 0.33 0.28 -0.27 3.80 3.38 -1.21 0.98 115.31 122.61 1h1j h LEU 35 Ca 0.05 -0.49 -0.12 0.00 0.09 0.00 0.00 57.88 57.41 1h1j h LEU 35 Cb 0.71 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.38 1h1j h LEU 35 CO 0.05 0.72 -0.31 0.40 0.09 0.00 0.00 178.44 179.39 1h1j h ILE 36 N -0.15 1.31 -0.33 1.22 2.04 -1.37 0.31 117.51 120.54 1h1j h ILE 36 Ca 0.02 -1.48 -0.15 0.00 1.00 0.00 0.00 64.86 64.24 1h1j h ILE 36 Cb 0.64 1.64 -0.00 0.00 -0.74 0.00 0.00 36.82 38.36 1h1j h ILE 36 CO 0.03 0.47 -0.38 0.50 0.00 0.00 0.00 178.15 178.77 1h1j h LYS 37 N 0.41 0.83 -0.25 2.37 3.64 -0.22 0.18 116.57 123.55 1h1j h LYS 37 Ca 0.04 -0.46 -0.17 0.00 -1.27 0.00 0.00 60.65 58.79 1h1j h LYS 37 Cb 0.88 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.73 1h1j h LYS 37 CO 0.07 1.10 -0.50 0.22 -2.27 0.00 0.00 179.45 178.07 1h1j h ASP 38 N 0.62 0.87 -0.22 4.20 3.58 -0.79 -1.56 116.42 123.11 1h1j h ASP 38 Ca 0.04 -0.54 -0.16 0.00 0.42 0.00 0.00 57.03 56.79 1h1j h ASP 38 Cb 0.98 -0.25 0.00 0.00 1.72 0.00 0.00 39.33 41.78 1h1j h ASP 38 CO 0.09 1.25 -0.50 -0.78 -2.88 0.00 0.00 179.24 176.43 1h1j h ASP 39 N 0.52 0.82 0.44 2.28 3.58 -0.37 -3.08 116.42 120.62 1h1j h ASP 39 Ca 0.01 -0.56 -0.07 0.00 0.42 0.00 0.00 57.03 56.83 1h1j h ASP 39 Cb 1.11 -0.24 -0.01 0.00 1.72 0.00 0.00 39.33 41.91 1h1j h ASP 39 CO 0.11 1.23 -0.35 -0.08 -2.88 0.00 0.00 179.24 177.27 1h1j h GLU 40 N 0.45 0.00 0.00 0.28 4.81 -0.66 -3.47 114.58 115.98 1h1j h GLU 40 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1h1j h GLU 40 Cb 1.11 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.49 1h1j h GLU 40 CO 0.11 0.35 0.00 -1.91 -0.73 0.00 0.00 179.01 176.83 1h1j n GLU 41 N -3.95 0.00 0.00 1.92 2.13 -0.59 -4.64 120.64 115.51 1h1j n GLU 41 Ca -0.02 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.80 1h1j n GLU 41 Cb 0.41 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.12 1h1j n GLU 41 CO 0.00 0.00 0.00 0.43 -0.41 0.00 0.00 177.13 177.15 1h1j n SER 42 N -3.89 0.00 -4.76 4.31 7.64 -1.26 -5.01 113.62 110.65 1h1j n SER 42 Ca 0.00 0.00 -0.24 0.00 1.01 0.00 0.00 58.87 59.64 1h1j n SER 42 Cb 0.00 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.14 1h1j n SER 42 CO 0.00 0.00 0.00 -1.59 -3.01 0.00 0.00 175.04 170.44 1h1j s LYS 43 N 0.00 2.72 0.00 1.43 0.00 -1.26 -5.18 119.74 117.45 1h1j s LYS 43 Ca 0.00 -1.10 0.00 0.00 0.00 0.00 0.00 55.97 54.87 1h1j s LYS 43 Cb 0.00 -2.47 0.00 0.00 0.00 0.00 0.00 37.83 35.36 1h1j s LYS 43 CO 0.00 0.42 0.00 0.41 0.00 0.00 0.00 175.35 176.18