#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1h1j s SER 2 N 0.00 0.75 0.00 1.61 0.15 -1.26 -5.11 113.70 109.83 1h1j s SER 2 Ca 0.00 -0.82 0.00 0.00 0.70 0.00 0.00 55.95 55.83 1h1j s SER 2 Cb 0.00 0.89 0.00 0.00 -1.71 0.00 0.00 66.02 65.20 1h1j s SER 2 CO 0.00 -0.32 0.00 0.00 1.20 0.00 0.00 173.24 174.12 1h1j n ALA 3 N 4.98 0.00 -2.00 5.45 0.00 -1.26 -5.11 120.51 122.57 1h1j n ALA 3 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.48 1h1j n ALA 3 Cb 0.48 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.93 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 0.00 0.00 -0.10 0.00 5.68 -1.26 -4.79 116.55 116.07 1h1j n ASP 4 Ca 0.00 0.00 0.27 0.00 -0.50 0.00 0.00 54.79 54.56 1h1j n ASP 4 Cb 0.00 0.00 0.70 0.00 -1.14 0.00 0.00 41.12 40.68 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 -3.34 116.97 113.85 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 -3.84 0.00 -2.78 3.88 2.88 -1.26 -1.54 113.62 110.96 1h1j n SER 6 Ca 0.16 0.00 -0.10 0.00 -1.33 0.00 0.00 58.87 57.61 1h1j n SER 6 Cb 0.98 0.00 0.07 0.00 -0.75 0.00 0.00 64.21 64.51 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 -0.89 -1.01 -4.22 -3.46 7.64 -1.25 -4.92 113.62 105.50 1h1j n SER 7 Ca 0.00 -2.96 -0.29 0.00 1.01 0.00 0.00 58.87 56.62 1h1j n SER 7 Cb 0.00 0.76 0.20 0.00 -1.01 0.00 0.00 64.21 64.16 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 -2.79 1.52 0.28 -3.43 1.43 -0.59 -5.00 118.68 110.10 1h1j s LEU 8 Ca 0.26 0.71 -0.25 0.00 -1.03 0.00 0.00 54.13 53.81 1h1j s LEU 8 Cb 0.37 -2.69 -0.09 0.00 0.03 0.00 0.00 46.19 43.80 1h1j s LEU 8 CO -0.05 -3.36 0.88 0.28 0.23 0.00 0.00 176.35 174.33 1h1j s THR 9 N -3.24 4.29 0.41 5.49 -1.32 -1.26 -4.80 115.64 115.21 1h1j s THR 9 Ca 0.69 1.71 0.21 0.00 -1.21 0.00 0.00 61.69 63.09 1h1j s THR 9 Cb -0.11 -4.01 0.41 0.00 -1.51 0.00 0.00 72.50 67.28 1h1j s THR 9 CO 0.55 0.21 1.76 1.62 -2.21 0.00 0.00 174.62 176.56 1h1j h VAL 10 N 2.73 0.48 -0.25 5.08 3.04 -1.94 0.27 116.25 125.67 1h1j h VAL 10 Ca -0.47 -0.11 -0.04 0.00 -1.01 0.00 0.00 66.70 65.07 1h1j h VAL 10 Cb 1.19 0.12 -0.01 0.00 -2.01 0.00 0.00 31.29 30.59 1h1j h VAL 10 CO 0.65 0.06 -0.00 1.62 -1.01 0.00 0.00 177.57 178.89 1h1j h VAL 11 N 0.33 1.26 -0.09 1.51 3.04 -1.99 -1.24 116.25 119.07 1h1j h VAL 11 Ca 0.61 -0.90 -0.17 0.00 -1.01 0.00 0.00 66.70 65.22 1h1j h VAL 11 Cb 1.65 1.36 -0.01 0.00 -2.01 0.00 0.00 31.29 32.29 1h1j h VAL 11 CO -0.28 0.28 -0.68 0.06 -1.01 0.00 0.00 177.57 175.95 1h1j h GLN 12 N 0.21 0.40 -1.00 4.17 -0.00 -1.24 -0.44 115.11 117.21 1h1j h GLN 12 Ca 0.07 -0.30 0.04 0.00 -0.00 0.00 0.00 58.65 58.46 1h1j h GLN 12 Cb 0.41 0.06 -0.06 0.00 -0.00 0.00 0.00 27.48 27.89 1h1j h GLN 12 CO 0.01 0.93 0.66 -0.07 -0.00 0.00 0.00 178.83 180.36 1h1j h LEU 13 N 0.28 1.09 -1.02 0.06 4.07 -0.49 0.23 115.31 119.53 1h1j h LEU 13 Ca -0.02 -0.01 -0.10 0.00 0.08 0.00 0.00 57.88 57.83 1h1j h LEU 13 Cb 1.24 -0.25 -0.01 0.00 1.08 0.00 0.00 40.66 42.71 1h1j h LEU 13 CO 0.12 0.74 -0.44 0.50 -1.08 0.00 0.00 178.44 178.28 1h1j h LYS 14 N 1.26 0.10 -0.03 1.13 3.64 -0.89 -2.20 116.57 119.58 1h1j h LYS 14 Ca 0.40 -0.05 -0.00 0.00 -1.27 0.00 0.00 60.65 59.73 1h1j h LYS 14 Cb 0.01 -0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 31.83 1h1j h LYS 14 CO -0.13 0.52 0.00 -0.44 -2.27 0.00 0.00 179.45 177.14 1h1j h ASP 15 N 0.08 0.05 -0.36 4.20 5.19 0.11 0.64 116.42 126.34 1h1j h ASP 15 Ca 0.00 -0.27 -0.03 0.00 -0.62 0.00 0.00 57.03 56.11 1h1j h ASP 15 Cb 0.82 -0.01 -0.01 0.00 0.18 0.00 0.00 39.33 40.30 1h1j h ASP 15 CO 0.06 0.31 0.10 0.17 -3.12 0.00 0.00 179.24 176.76 1h1j h LEU 16 N -0.21 0.53 -0.92 1.55 -0.00 -1.14 -1.25 115.31 113.86 1h1j h LEU 16 Ca 0.01 -0.22 -0.10 0.00 -0.00 0.00 0.00 57.88 57.57 1h1j h LEU 16 Cb 0.28 -0.14 -0.01 0.00 -0.00 0.00 0.00 40.66 40.79 1h1j h LEU 16 CO 0.00 0.61 -0.28 -0.07 -0.00 0.00 0.00 178.44 178.70 1h1j h LEU 17 N 0.43 0.46 -0.70 0.17 3.38 -1.35 0.42 115.31 118.12 1h1j h LEU 17 Ca 0.11 -0.16 0.01 0.00 0.09 0.00 0.00 57.88 57.93 1h1j h LEU 17 Cb 0.28 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 40.87 1h1j h LEU 17 CO -0.00 0.73 0.46 0.74 0.09 0.00 0.00 178.44 180.46 1h1j h THR 18 N 0.40 1.17 0.00 0.22 2.02 0.64 0.13 112.91 117.50 1h1j h THR 18 Ca 0.05 -0.32 0.00 0.00 0.77 0.00 0.00 66.41 66.91 1h1j h THR 18 Cb 0.70 0.15 0.00 0.00 -1.74 0.00 0.00 68.15 67.27 1h1j h THR 18 CO 0.05 0.17 0.00 1.17 0.37 0.00 0.00 175.52 177.28 1h1j n LYS 19 N -4.61 0.20 -0.10 6.66 4.81 -0.50 -2.92 118.16 121.70 1h1j n LYS 19 Ca 0.06 0.20 0.07 0.00 -0.87 0.00 0.00 58.31 57.77 1h1j n LYS 19 Cb 0.02 -1.75 0.25 0.00 0.02 0.00 0.00 35.03 33.57 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 -2.10 1.57 -1.50 1.64 0.63 0.14 -4.84 116.66 112.20 1h1j n ARG 20 Ca 0.05 -0.87 -0.16 0.00 -0.92 0.00 0.00 57.85 55.95 1h1j n ARG 20 Cb 0.38 -1.27 -0.07 0.00 0.45 0.00 0.00 32.46 31.95 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 0.15 -4.94 -3.67 6.15 4.05 -1.00 -4.93 115.26 111.08 1h1j n ASN 21 Ca 0.12 0.39 -0.09 0.00 0.45 0.00 0.00 54.58 55.45 1h1j n ASN 21 Cb 0.24 -3.87 -0.10 0.00 1.23 0.00 0.00 39.78 37.27 1h1j n ASN 21 CO 0.00 0.00 0.00 -0.22 -3.05 0.00 0.00 177.26 173.99 1h1j s LEU 22 N -3.71 -0.51 0.00 1.20 1.98 -0.25 -5.05 118.68 112.34 1h1j s LEU 22 Ca 0.00 0.98 0.00 0.00 -2.89 0.00 0.00 54.13 52.22 1h1j s LEU 22 Cb 0.00 1.37 0.00 0.00 0.66 0.00 0.00 46.19 48.22 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 5.09 -0.01 -4.72 3.68 7.64 -1.25 -3.31 113.62 120.74 1h1j n SER 23 Ca -0.12 -0.75 -0.23 0.00 1.01 0.00 0.00 58.87 58.78 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 3.69 0.00 0.44 -7.23 -1.26 -4.88 120.40 110.41 1h1j s VAL 24 Ca 0.00 -1.71 0.00 0.00 -1.81 0.00 0.00 61.98 58.46 1h1j s VAL 24 Cb 0.00 -3.05 0.00 0.00 0.56 0.00 0.00 36.38 33.89 1h1j s VAL 24 CO 0.00 -0.33 0.00 0.61 -0.31 0.00 0.00 175.10 175.07 1h1j n GLY 25 N -1.04 -0.73 0.00 2.32 0.00 -1.26 -4.93 105.19 99.55 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 -0.83 3.58 -0.02 0.00 -1.26 -4.93 105.19 101.73 1h1j n GLY 26 Ca 0.00 0.24 -0.29 0.00 0.00 0.00 0.00 46.02 45.97 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 -1.90 1.38 0.20 0.99 2.34 -1.26 -4.66 118.68 115.78 1h1j s LEU 27 Ca 0.00 1.52 -0.11 0.00 0.06 0.00 0.00 54.13 55.60 1h1j s LEU 27 Cb 0.00 -3.60 0.25 0.00 -0.56 0.00 0.00 46.19 42.28 1h1j s LEU 27 CO 0.00 -3.68 1.70 0.50 -1.06 0.00 0.00 176.35 173.81 1h1j h LYS 28 N -2.27 0.21 -0.51 1.48 1.63 -1.99 -1.19 116.57 113.94 1h1j h LYS 28 Ca -0.57 -0.01 -0.06 0.00 -0.85 0.00 0.00 60.65 59.17 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 0.51 0.14 0.10 -0.91 -3.45 0.00 0.00 179.45 175.84 1h1j h ASN 29 N 0.22 0.79 -0.94 4.20 4.21 -1.99 -1.26 115.58 120.81 1h1j h ASN 29 Ca 0.29 -0.25 0.09 0.00 1.21 0.00 0.00 56.30 57.64 1h1j h ASN 29 Cb 0.42 -0.21 -0.07 0.00 -1.12 0.00 0.00 38.32 37.35 1h1j h ASN 29 CO -0.39 0.84 0.61 -0.33 -1.29 0.00 0.00 177.43 176.86 1h1j h GLU 30 N 0.71 0.96 -0.13 0.81 4.39 -1.65 0.46 114.58 120.13 1h1j h GLU 30 Ca 0.16 -0.06 -0.01 0.00 0.34 0.00 0.00 59.36 59.79 1h1j h GLU 30 Cb 0.37 -0.22 -0.01 0.00 -0.10 0.00 0.00 28.75 28.80 1h1j h GLU 30 CO 0.01 0.63 0.05 -0.07 -1.16 0.00 0.00 179.01 178.47 1h1j h LEU 31 N 0.98 0.18 -0.45 1.33 -0.00 -0.66 0.42 115.31 117.12 1h1j h LEU 31 Ca 0.43 -0.18 0.01 0.00 -0.00 0.00 0.00 57.88 58.14 1h1j h LEU 31 Cb 0.36 -0.05 -0.02 0.00 -0.00 0.00 0.00 40.66 40.95 1h1j h LEU 31 CO -0.19 0.31 0.29 1.62 -0.00 0.00 0.00 178.44 180.47 1h1j h VAL 32 N 0.04 1.10 -0.38 1.22 3.04 0.04 -1.34 116.25 119.96 1h1j h VAL 32 Ca 0.04 -0.20 -0.10 0.00 -1.01 0.00 0.00 66.70 65.43 1h1j h VAL 32 Cb 0.19 0.46 -0.02 0.00 -2.01 0.00 0.00 31.29 29.91 1h1j h VAL 32 CO -0.00 0.11 -0.17 1.56 -1.01 0.00 0.00 177.57 178.06 1h1j h GLN 33 N 0.59 0.72 -0.31 4.17 1.08 0.08 -1.92 115.11 119.51 1h1j h GLN 33 Ca 0.17 -0.26 -0.08 0.00 -1.45 0.00 0.00 58.65 57.03 1h1j h GLN 33 Cb -0.05 -0.05 -0.01 0.00 -0.05 0.00 0.00 27.48 27.32 1h1j h GLN 33 CO -0.05 0.84 -0.12 -0.09 -0.95 0.00 0.00 178.83 178.46 1h1j h ARG 34 N 0.64 0.63 -0.14 1.46 2.43 0.37 0.40 114.38 120.17 1h1j h ARG 34 Ca 0.10 -0.26 -0.05 0.00 -0.81 0.00 0.00 59.98 58.96 1h1j h ARG 34 Cb 0.64 -0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 30.16 1h1j h ARG 34 CO 0.05 0.84 -0.09 -0.07 -1.51 0.00 0.00 179.97 179.19 1h1j h LEU 35 N 0.40 0.33 -0.53 3.80 3.38 -1.21 0.27 115.31 121.74 1h1j h LEU 35 Ca 0.07 -0.44 -0.13 0.00 0.09 0.00 0.00 57.88 57.48 1h1j h LEU 35 Cb 0.64 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.28 1h1j h LEU 35 CO 0.04 0.69 -0.21 0.40 0.09 0.00 0.00 178.44 179.45 1h1j h ILE 36 N -0.03 1.27 -0.24 1.22 2.04 -1.36 0.16 117.51 120.57 1h1j h ILE 36 Ca 0.03 -1.37 -0.18 0.00 1.00 0.00 0.00 64.86 64.34 1h1j h ILE 36 Cb 0.58 1.12 -0.00 0.00 -0.74 0.00 0.00 36.82 37.78 1h1j h ILE 36 CO 0.03 0.47 -0.58 0.11 0.00 0.00 0.00 178.15 178.18 1h1j h LYS 37 N 0.83 0.75 -0.18 2.37 1.79 -0.18 -2.80 116.57 119.16 1h1j h LYS 37 Ca 0.11 -0.49 -0.12 0.00 -2.18 0.00 0.00 60.65 57.97 1h1j h LYS 37 Cb 0.78 0.06 0.00 0.00 -1.58 0.00 0.00 32.23 31.49 1h1j h LYS 37 CO 0.06 1.12 -0.36 0.22 -1.08 0.00 0.00 179.45 179.41 1h1j h ASP 38 N 0.57 0.63 0.12 0.86 3.58 -0.33 -3.07 116.42 118.78 1h1j h ASP 38 Ca 0.01 -0.55 -0.02 0.00 0.42 0.00 0.00 57.03 56.89 1h1j h ASP 38 Cb 1.16 -0.18 -0.00 0.00 1.72 0.00 0.00 39.33 42.03 1h1j h ASP 38 CO 0.12 1.06 -0.08 -2.24 -2.88 0.00 0.00 179.24 175.22 1h1j h ASP 39 N 0.22 0.00 -0.70 2.28 3.04 -0.72 -2.10 116.42 118.44 1h1j h ASP 39 Ca 0.01 0.00 0.12 0.00 -3.24 0.00 0.00 57.03 53.92 1h1j h ASP 39 Cb 0.96 0.00 -0.05 0.00 -1.04 0.00 0.00 39.33 39.20 1h1j h ASP 39 CO 0.08 0.08 0.47 -0.08 -2.04 0.00 0.00 179.24 177.75 1h1j h GLU 40 N 0.00 0.44 -4.46 4.15 4.22 -1.39 -3.48 114.58 114.07 1h1j h GLU 40 Ca -0.00 -0.03 0.01 0.00 0.08 0.00 0.00 59.36 59.42 1h1j h GLU 40 Cb 0.17 -0.10 -0.09 0.00 0.50 0.00 0.00 28.75 29.23 1h1j h GLU 40 CO 0.01 0.29 -1.17 -1.91 -2.18 0.00 0.00 179.01 174.06 1h1j n GLU 41 N -4.48 -3.72 0.05 1.92 0.00 -0.79 -4.98 120.64 108.64 1h1j n GLU 41 Ca 0.12 2.88 -0.03 0.00 0.00 0.00 0.00 57.16 60.14 1h1j n GLU 41 Cb 0.44 -4.12 -0.01 0.00 0.00 0.00 0.00 31.44 27.75 1h1j n GLU 41 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.13 177.90 1h1j h SER 42 N 3.23 -0.15 0.00 4.31 0.02 -1.87 -3.42 113.55 115.66 1h1j h SER 42 Ca -0.36 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.59 1h1j h SER 42 Cb 0.82 0.04 0.00 0.00 0.14 0.00 0.00 62.40 63.40 1h1j h SER 42 CO 0.01 0.14 0.00 2.29 -1.14 0.00 0.00 176.83 178.12 1h1j n LYS 43 N -3.82 0.55 0.00 3.45 2.85 -1.26 -5.29 118.16 114.64 1h1j n LYS 43 Ca -0.02 -0.63 0.00 0.00 -1.05 0.00 0.00 58.31 56.61 1h1j n LYS 43 Cb 0.07 -0.73 0.00 0.00 -0.65 0.00 0.00 35.03 33.72 1h1j n LYS 43 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76