#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 -3.71 1.61 4.64 -2.11 -3.31 113.55 110.67 1h1j h SER 2 Ca 0.00 0.00 -0.68 0.00 -0.47 0.00 0.00 61.79 60.64 1h1j h SER 2 Cb 0.00 0.00 -0.34 0.00 -0.31 0.00 0.00 62.40 61.75 1h1j h SER 2 CO 0.00 0.00 -0.74 0.00 -0.87 0.00 0.00 176.83 175.22 1h1j s ALA 3 N -4.83 2.71 0.00 5.18 0.00 -1.26 -5.01 121.76 118.56 1h1j s ALA 3 Ca -0.05 -1.67 0.00 0.00 0.00 0.00 0.00 51.96 50.24 1h1j s ALA 3 Cb 0.21 -1.77 0.00 0.00 0.00 0.00 0.00 23.12 21.56 1h1j s ALA 3 CO 0.74 -1.11 0.00 -0.40 0.00 0.00 0.00 175.76 174.99 1h1j n ASP 4 N 4.59 0.00 -0.26 0.00 5.68 -1.25 -4.83 116.55 120.48 1h1j n ASP 4 Ca -0.14 0.00 0.27 0.00 -0.50 0.00 0.00 54.79 54.41 1h1j n ASP 4 Cb 0.44 0.00 0.63 0.00 -1.14 0.00 0.00 41.12 41.05 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 0.29 0.00 2.11 0.05 -1.95 -3.36 116.97 114.11 1h1j h TYR 5 Ca 0.00 0.01 0.00 0.00 0.05 0.00 0.00 58.73 58.79 1h1j h TYR 5 Cb 0.00 -0.08 0.00 0.00 1.01 0.00 0.00 36.73 37.66 1h1j h TYR 5 CO 0.00 0.04 0.00 0.43 -1.05 0.00 0.00 178.16 177.58 1h1j n SER 6 N -4.39 0.00 -2.78 3.88 7.64 -1.26 -1.36 113.62 115.35 1h1j n SER 6 Ca 0.22 0.00 -0.10 0.00 1.01 0.00 0.00 58.87 60.00 1h1j n SER 6 Cb 0.95 0.00 0.06 0.00 -1.01 0.00 0.00 64.21 64.21 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 -0.66 -4.01 6.43 2.88 -1.26 -4.89 113.62 112.11 1h1j n SER 7 Ca 0.00 -2.90 -0.30 0.00 -1.33 0.00 0.00 58.87 54.35 1h1j n SER 7 Cb 0.00 0.54 0.23 0.00 -0.75 0.00 0.00 64.21 64.23 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 -2.84 0.87 0.24 2.46 1.43 -0.46 -4.96 118.68 115.41 1h1j s LEU 8 Ca 0.26 0.76 -0.30 0.00 -1.03 0.00 0.00 54.13 53.82 1h1j s LEU 8 Cb 0.38 -2.58 -0.09 0.00 0.03 0.00 0.00 46.19 43.93 1h1j s LEU 8 CO -0.05 -3.93 1.02 0.28 0.23 0.00 0.00 176.35 173.90 1h1j s THR 9 N -2.99 3.85 0.48 5.49 -1.32 -1.26 -4.78 115.64 115.11 1h1j s THR 9 Ca 0.70 1.81 0.29 0.00 -1.21 0.00 0.00 61.69 63.28 1h1j s THR 9 Cb -0.12 -4.15 0.49 0.00 -1.51 0.00 0.00 72.50 67.21 1h1j s THR 9 CO 0.56 0.41 1.79 1.62 -2.21 0.00 0.00 174.62 176.79 1h1j h VAL 10 N 3.24 0.44 -0.24 5.08 3.04 -1.94 0.28 116.25 126.16 1h1j h VAL 10 Ca -0.45 -0.05 -0.04 0.00 -1.01 0.00 0.00 66.70 65.14 1h1j h VAL 10 Cb 1.21 0.28 -0.01 0.00 -2.01 0.00 0.00 31.29 30.76 1h1j h VAL 10 CO 0.68 0.03 -0.01 1.62 -1.01 0.00 0.00 177.57 178.88 1h1j h VAL 11 N 0.15 1.26 -0.06 1.51 3.04 -1.99 -1.19 116.25 118.97 1h1j h VAL 11 Ca 0.58 -0.94 -0.17 0.00 -1.01 0.00 0.00 66.70 65.16 1h1j h VAL 11 Cb 1.98 1.40 -0.01 0.00 -2.01 0.00 0.00 31.29 32.64 1h1j h VAL 11 CO -0.13 0.29 -0.70 0.06 -1.01 0.00 0.00 177.57 176.08 1h1j h GLN 12 N 0.20 0.30 -0.97 4.17 -0.00 -1.03 -0.08 115.11 117.70 1h1j h GLN 12 Ca 0.07 -0.24 0.05 0.00 -0.00 0.00 0.00 58.65 58.53 1h1j h GLN 12 Cb 0.44 0.05 -0.06 0.00 -0.00 0.00 0.00 27.48 27.90 1h1j h GLN 12 CO 0.02 0.88 0.63 -0.07 -0.00 0.00 0.00 178.83 180.29 1h1j h LEU 13 N 0.21 1.03 -0.83 0.06 4.07 -0.47 0.33 115.31 119.71 1h1j h LEU 13 Ca -0.02 -0.00 -0.12 0.00 0.08 0.00 0.00 57.88 57.81 1h1j h LEU 13 Cb 1.25 -0.22 -0.01 0.00 1.08 0.00 0.00 40.66 42.75 1h1j h LEU 13 CO 0.11 0.68 -0.54 0.11 -1.08 0.00 0.00 178.44 177.73 1h1j h LYS 14 N 1.18 0.13 -0.02 1.13 1.57 -0.83 -2.04 116.57 117.68 1h1j h LYS 14 Ca 0.40 -0.08 -0.00 0.00 -1.87 0.00 0.00 60.65 59.10 1h1j h LYS 14 Cb 0.09 0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.40 1h1j h LYS 14 CO -0.14 0.64 0.01 0.22 -0.57 0.00 0.00 179.45 179.60 1h1j h ASP 15 N 0.10 0.03 -0.32 0.86 1.82 0.15 0.47 116.42 119.53 1h1j h ASP 15 Ca -0.00 -0.19 -0.05 0.00 -0.39 0.00 0.00 57.03 56.39 1h1j h ASP 15 Cb 0.98 -0.01 -0.01 0.00 0.68 0.00 0.00 39.33 40.98 1h1j h ASP 15 CO 0.08 0.21 -0.01 0.17 -1.61 0.00 0.00 179.24 178.08 1h1j h LEU 16 N -0.16 0.56 -0.97 2.28 -0.00 -1.02 -1.42 115.31 114.58 1h1j h LEU 16 Ca 0.01 -0.32 -0.05 0.00 -0.00 0.00 0.00 57.88 57.52 1h1j h LEU 16 Cb 0.20 -0.15 -0.03 0.00 -0.00 0.00 0.00 40.66 40.68 1h1j h LEU 16 CO -0.00 0.74 0.20 -0.07 -0.00 0.00 0.00 178.44 179.31 1h1j h LEU 17 N 0.36 0.88 -0.50 0.17 3.38 -1.30 0.53 115.31 118.83 1h1j h LEU 17 Ca 0.09 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 57.92 1h1j h LEU 17 Cb 0.46 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.96 1h1j h LEU 17 CO 0.02 0.82 0.33 0.74 0.09 0.00 0.00 178.44 180.44 1h1j h THR 18 N 0.92 1.14 0.00 0.22 2.02 0.21 0.20 112.91 117.62 1h1j h THR 18 Ca 0.21 -0.26 0.00 0.00 0.77 0.00 0.00 66.41 67.13 1h1j h THR 18 Cb 0.26 0.41 0.00 0.00 -1.74 0.00 0.00 68.15 67.08 1h1j h THR 18 CO -0.01 0.13 0.00 1.17 0.37 0.00 0.00 175.52 177.18 1h1j n LYS 19 N -4.73 0.16 -0.13 6.66 4.81 -0.56 -2.89 118.16 121.49 1h1j n LYS 19 Ca 0.02 0.18 0.07 0.00 -0.87 0.00 0.00 58.31 57.71 1h1j n LYS 19 Cb 0.03 -1.70 0.23 0.00 0.02 0.00 0.00 35.03 33.60 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 -1.99 1.68 -1.41 1.64 0.63 0.18 -4.84 116.66 112.54 1h1j n ARG 20 Ca 0.05 -1.04 -0.14 0.00 -0.92 0.00 0.00 57.85 55.80 1h1j n ARG 20 Cb 0.36 -1.29 -0.06 0.00 0.45 0.00 0.00 32.46 31.93 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 0.31 -4.81 -3.54 6.15 2.85 -1.07 -4.94 115.26 110.21 1h1j n ASN 21 Ca 0.12 0.35 -0.10 0.00 -0.11 0.00 0.00 54.58 54.85 1h1j n ASN 21 Cb 0.27 -3.57 -0.10 0.00 1.24 0.00 0.00 39.78 37.63 1h1j n ASN 21 CO 0.00 0.00 0.00 -0.22 -2.11 0.00 0.00 177.26 174.93 1h1j s LEU 22 N -3.24 -0.58 0.79 1.20 1.98 -0.09 -5.04 118.68 113.69 1h1j s LEU 22 Ca 0.00 0.63 -0.08 0.00 -2.89 0.00 0.00 54.13 51.79 1h1j s LEU 22 Cb 0.00 1.16 0.12 0.00 0.66 0.00 0.00 46.19 48.12 1h1j s LEU 22 CO 0.00 -0.26 1.11 -0.44 -1.89 0.00 0.00 176.35 174.87 1h1j s SER 23 N 2.56 4.20 -0.39 3.68 0.01 -1.24 -3.39 113.70 119.13 1h1j s SER 23 Ca 0.04 0.22 -0.03 0.00 1.31 0.00 0.00 55.95 57.50 1h1j s SER 23 Cb -0.13 -0.63 0.10 0.00 0.21 0.00 0.00 66.02 65.57 1h1j s SER 23 CO -0.13 -2.00 0.17 0.68 0.41 0.00 0.00 173.24 172.36 1h1j s VAL 24 N -3.42 3.26 -0.28 3.43 -7.23 -1.26 -4.94 120.40 109.95 1h1j s VAL 24 Ca 0.66 -1.91 -0.11 0.00 -1.81 0.00 0.00 61.98 58.81 1h1j s VAL 24 Cb -0.07 -3.16 -0.05 0.00 0.56 0.00 0.00 36.38 33.66 1h1j s VAL 24 CO 0.47 -0.58 0.19 -0.83 -0.31 0.00 0.00 175.10 174.04 1h1j s GLY 25 N 1.71 1.92 0.00 2.32 0.00 -1.26 -4.87 107.32 107.14 1h1j s GLY 25 Ca 0.06 -1.12 0.00 0.00 0.00 0.00 0.00 44.72 43.66 1h1j s GLY 25 CO -0.03 0.65 0.00 0.61 0.00 0.00 0.00 173.10 174.33 1h1j n GLY 26 N 5.06 0.29 3.86 0.20 0.00 -1.26 -4.78 105.19 108.55 1h1j n GLY 26 Ca -0.14 -1.73 -0.30 0.00 0.00 0.00 0.00 46.02 43.85 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 0.00 2.26 0.28 0.99 1.43 -1.26 -4.63 118.68 117.75 1h1j s LEU 27 Ca 0.00 0.24 0.02 0.00 -1.03 0.00 0.00 54.13 53.36 1h1j s LEU 27 Cb 0.00 -2.11 0.64 0.00 0.03 0.00 0.00 46.19 44.74 1h1j s LEU 27 CO 0.00 -3.23 1.77 0.11 0.23 0.00 0.00 176.35 175.23 1h1j h LYS 28 N -1.98 0.66 -0.34 1.70 1.79 -2.00 1.00 116.57 117.40 1h1j h LYS 28 Ca -0.44 -0.04 -0.08 0.00 -2.18 0.00 0.00 60.65 57.92 1h1j h LYS 28 Cb 1.23 -0.15 -0.01 0.00 -1.58 0.00 0.00 32.23 31.72 1h1j h LYS 28 CO 0.31 0.44 -0.08 -0.91 -1.08 0.00 0.00 179.45 178.13 1h1j h ASN 29 N 0.68 0.66 -0.83 0.86 2.35 -1.99 -1.15 115.58 116.16 1h1j h ASN 29 Ca 0.52 -0.37 0.09 0.00 -0.55 0.00 0.00 56.30 56.00 1h1j h ASN 29 Cb 0.78 -0.18 -0.06 0.00 0.05 0.00 0.00 38.32 38.92 1h1j h ASN 29 CO -0.38 0.87 0.54 -0.33 -1.65 0.00 0.00 177.43 176.48 1h1j h GLU 30 N 0.43 0.77 -0.19 0.81 4.39 -1.24 0.59 114.58 120.15 1h1j h GLU 30 Ca 0.08 -0.05 -0.01 0.00 0.34 0.00 0.00 59.36 59.73 1h1j h GLU 30 Cb 0.58 -0.17 -0.01 0.00 -0.10 0.00 0.00 28.75 29.05 1h1j h GLU 30 CO 0.03 0.51 0.07 -0.07 -1.16 0.00 0.00 179.01 178.39 1h1j h LEU 31 N 0.79 0.27 -0.41 1.33 -0.00 -0.43 0.44 115.31 117.30 1h1j h LEU 31 Ca 0.38 -0.17 -0.00 0.00 -0.00 0.00 0.00 57.88 58.08 1h1j h LEU 31 Cb 0.42 -0.07 -0.02 0.00 -0.00 0.00 0.00 40.66 40.99 1h1j h LEU 31 CO -0.15 0.37 0.25 0.58 -0.00 0.00 0.00 178.44 179.49 1h1j h VAL 32 N 0.15 1.13 -0.29 1.22 2.07 0.33 -1.51 116.25 119.34 1h1j h VAL 32 Ca 0.06 -0.28 -0.10 0.00 0.82 0.00 0.00 66.70 67.20 1h1j h VAL 32 Cb 0.19 0.58 -0.01 0.00 -1.52 0.00 0.00 31.29 30.52 1h1j h VAL 32 CO -0.00 0.13 -0.25 1.56 0.02 0.00 0.00 177.57 179.02 1h1j h GLN 33 N 0.54 0.57 -0.30 1.57 4.20 0.31 -1.91 115.11 120.09 1h1j h GLN 33 Ca 0.15 -0.22 -0.05 0.00 0.06 0.00 0.00 58.65 58.58 1h1j h GLN 33 Cb -0.01 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 27.73 1h1j h GLN 33 CO -0.03 0.77 -0.02 -0.09 -0.67 0.00 0.00 178.83 178.79 1h1j h ARG 34 N 0.50 0.54 -0.09 1.46 2.43 0.37 0.51 114.38 120.10 1h1j h ARG 34 Ca 0.07 -0.18 -0.04 0.00 -0.81 0.00 0.00 59.98 59.02 1h1j h ARG 34 Cb 0.70 -0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 30.20 1h1j h ARG 34 CO 0.05 0.70 -0.08 -0.07 -1.51 0.00 0.00 179.97 179.06 1h1j h LEU 35 N 0.32 0.22 -0.23 3.80 3.38 -1.22 0.53 115.31 122.11 1h1j h LEU 35 Ca 0.08 -0.48 -0.08 0.00 0.09 0.00 0.00 57.88 57.49 1h1j h LEU 35 Cb 0.47 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.15 1h1j h LEU 35 CO 0.02 0.66 -0.17 0.40 0.09 0.00 0.00 178.44 179.43 1h1j h ILE 36 N -0.20 1.31 -0.45 1.22 2.04 -1.36 0.35 117.51 120.42 1h1j h ILE 36 Ca 0.01 -1.30 -0.13 0.00 1.00 0.00 0.00 64.86 64.44 1h1j h ILE 36 Cb 0.59 1.65 -0.01 0.00 -0.74 0.00 0.00 36.82 38.31 1h1j h ILE 36 CO 0.02 0.40 -0.23 0.50 0.00 0.00 0.00 178.15 178.84 1h1j h LYS 37 N 0.23 0.94 -0.07 2.37 3.64 -0.05 -0.05 116.57 123.58 1h1j h LYS 37 Ca 0.04 -0.42 -0.05 0.00 -1.27 0.00 0.00 60.65 58.95 1h1j h LYS 37 Cb 0.70 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.50 1h1j h LYS 37 CO 0.05 1.08 -0.16 0.22 -2.27 0.00 0.00 179.45 178.37 1h1j h ASP 38 N 0.78 0.26 0.41 4.20 1.82 -0.87 -3.14 116.42 119.89 1h1j h ASP 38 Ca 0.10 -0.58 -0.05 0.00 -0.39 0.00 0.00 57.03 56.11 1h1j h ASP 38 Cb 0.81 -0.08 -0.01 0.00 0.68 0.00 0.00 39.33 40.73 1h1j h ASP 38 CO 0.07 0.80 -0.24 -0.78 -1.61 0.00 0.00 179.24 177.47 1h1j h ASP 39 N -0.26 0.00 0.06 2.28 1.82 -0.32 -2.52 116.42 117.48 1h1j h ASP 39 Ca -0.00 0.00 -0.05 0.00 -0.39 0.00 0.00 57.03 56.59 1h1j h ASP 39 Cb 0.76 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 40.76 1h1j h ASP 39 CO 0.04 0.24 -0.16 -0.08 -1.61 0.00 0.00 179.24 177.67 1h1j h GLU 40 N 0.00 0.21 -6.85 0.28 4.81 -0.95 -3.43 114.58 108.65 1h1j h GLU 40 Ca -0.00 -0.05 -0.48 0.00 -0.13 0.00 0.00 59.36 58.70 1h1j h GLU 40 Cb 0.52 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.85 1h1j h GLU 40 CO 0.03 0.38 0.18 -1.21 -0.73 0.00 0.00 179.01 177.66 1h1j s GLU 41 N -4.66 4.04 0.21 1.92 2.02 -0.95 -5.08 118.70 116.20 1h1j s GLU 41 Ca -0.05 0.79 -0.08 0.00 0.02 0.00 0.00 54.97 55.65 1h1j s GLU 41 Cb 0.15 -2.34 -0.02 0.00 0.10 0.00 0.00 34.13 32.02 1h1j s GLU 41 CO 0.73 0.06 0.31 0.45 0.02 0.00 0.00 175.26 176.83 1h1j s SER 42 N -2.37 0.03 0.49 -0.19 0.15 -1.26 -5.00 113.70 105.56 1h1j s SER 42 Ca 0.56 -1.08 0.00 0.00 0.70 0.00 0.00 55.95 56.14 1h1j s SER 42 Cb -0.10 0.48 0.00 0.00 -1.71 0.00 0.00 66.02 64.69 1h1j s SER 42 CO 0.18 -0.97 0.00 1.17 1.20 0.00 0.00 173.24 174.82 1h1j n LYS 43 N -0.30 -4.82 0.00 5.44 4.81 -1.26 -5.24 118.16 116.80 1h1j n LYS 43 Ca -0.02 3.55 0.00 0.00 -0.87 0.00 0.00 58.31 60.98 1h1j n LYS 43 Cb 0.64 -3.97 0.00 0.00 0.02 0.00 0.00 35.03 31.71 1h1j n LYS 43 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98