#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 7.36 -3.65 1.61 7.64 -1.26 -4.89 113.62 120.43 1h1j n SER 2 Ca 0.00 -3.78 -0.24 0.00 1.01 0.00 0.00 58.87 55.85 1h1j n SER 2 Cb 0.00 -1.08 0.01 0.00 -1.01 0.00 0.00 64.21 62.13 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 -0.37 -2.70 -1.79 -0.43 0.00 -1.26 -4.94 120.51 109.02 1h1j n ALA 3 Ca 0.51 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.84 1h1j n ALA 3 Cb 0.25 -1.12 0.00 0.00 0.00 0.00 0.00 19.45 18.59 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 -2.07 0.00 -0.29 0.00 5.68 -1.26 -4.89 116.55 113.72 1h1j n ASP 4 Ca -0.24 0.00 0.22 0.00 -0.50 0.00 0.00 54.79 54.27 1h1j n ASP 4 Cb 0.67 0.00 0.53 0.00 -1.14 0.00 0.00 41.12 41.18 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 0.54 0.00 2.11 0.05 -1.95 -3.37 116.97 114.36 1h1j h TYR 5 Ca 0.00 0.02 0.00 0.00 0.05 0.00 0.00 58.73 58.80 1h1j h TYR 5 Cb 0.00 -0.16 0.00 0.00 1.01 0.00 0.00 36.73 37.58 1h1j h TYR 5 CO 0.00 0.09 0.00 0.43 -1.05 0.00 0.00 178.16 177.63 1h1j n SER 6 N -4.54 0.00 -2.88 3.88 7.64 -1.26 -1.30 113.62 115.16 1h1j n SER 6 Ca 0.23 0.00 -0.12 0.00 1.01 0.00 0.00 58.87 59.99 1h1j n SER 6 Cb 0.84 0.00 0.04 0.00 -1.01 0.00 0.00 64.21 64.08 1h1j n SER 6 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1h1j n SER 7 N 0.00 -0.78 -3.38 6.43 3.41 -1.26 -4.89 113.62 113.15 1h1j n SER 7 Ca 0.00 -3.21 -0.22 0.00 -0.26 0.00 0.00 58.87 55.19 1h1j n SER 7 Cb 0.00 0.66 0.16 0.00 -0.26 0.00 0.00 64.21 64.77 1h1j n SER 7 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1h1j n LEU 8 N 0.17 0.00 -4.74 1.04 4.77 -0.42 -5.00 117.00 112.81 1h1j n LEU 8 Ca 0.12 -1.04 -0.40 0.00 -0.03 0.00 0.00 56.01 54.66 1h1j n LEU 8 Cb 0.72 -0.75 -0.05 0.00 -2.33 0.00 0.00 43.42 41.00 1h1j n LEU 8 CO 0.11 -1.34 0.60 0.42 -1.33 0.00 0.00 177.39 175.85 1h1j s THR 9 N -3.01 4.43 0.53 -5.08 -4.23 -1.26 -4.83 115.64 102.19 1h1j s THR 9 Ca 0.55 1.94 0.35 0.00 -1.18 0.00 0.00 61.69 63.36 1h1j s THR 9 Cb -0.02 -4.26 0.54 0.00 1.34 0.00 0.00 72.50 70.10 1h1j s THR 9 CO 0.39 0.39 1.80 1.62 -0.54 0.00 0.00 174.62 178.29 1h1j h VAL 10 N 3.76 0.41 -0.12 2.29 3.04 -1.95 0.36 116.25 124.05 1h1j h VAL 10 Ca -0.44 -0.01 -0.04 0.00 -1.01 0.00 0.00 66.70 65.20 1h1j h VAL 10 Cb 1.21 0.38 -0.00 0.00 -2.01 0.00 0.00 31.29 30.87 1h1j h VAL 10 CO 0.70 0.01 -0.10 0.58 -1.01 0.00 0.00 177.57 177.75 1h1j h VAL 11 N 0.03 1.34 -0.15 1.51 2.07 -1.98 -1.30 116.25 117.77 1h1j h VAL 11 Ca 0.57 -1.21 -0.20 0.00 0.82 0.00 0.00 66.70 66.68 1h1j h VAL 11 Cb 2.21 1.88 0.00 0.00 -1.52 0.00 0.00 31.29 33.87 1h1j h VAL 11 CO -0.03 0.35 -0.71 0.06 0.02 0.00 0.00 177.57 177.25 1h1j h GLN 12 N -0.10 0.67 -0.98 1.57 -0.00 -0.85 0.64 115.11 116.06 1h1j h GLN 12 Ca 0.02 -0.52 0.06 0.00 -0.00 0.00 0.00 58.65 58.22 1h1j h GLN 12 Cb 0.60 0.10 -0.07 0.00 -0.00 0.00 0.00 27.48 28.11 1h1j h GLN 12 CO 0.02 1.13 0.64 -0.07 -0.00 0.00 0.00 178.83 180.56 1h1j h LEU 13 N 0.47 1.01 -1.19 0.06 4.07 -0.55 1.03 115.31 120.22 1h1j h LEU 13 Ca -0.03 0.01 -0.08 0.00 0.08 0.00 0.00 57.88 57.85 1h1j h LEU 13 Cb 1.32 -0.21 -0.01 0.00 1.08 0.00 0.00 40.66 42.84 1h1j h LEU 13 CO 0.14 0.65 -0.34 0.50 -1.08 0.00 0.00 178.44 178.31 1h1j h LYS 14 N 1.15 0.11 -0.01 1.13 3.11 -0.92 -2.00 116.57 119.15 1h1j h LYS 14 Ca 0.42 -0.04 -0.00 0.00 -2.81 0.00 0.00 60.65 58.22 1h1j h LYS 14 Cb 0.17 -0.01 -0.00 0.00 -1.00 0.00 0.00 32.23 31.39 1h1j h LYS 14 CO -0.16 0.44 -0.00 0.22 -2.81 0.00 0.00 179.45 177.14 1h1j h ASP 15 N 0.10 0.02 -0.59 4.20 1.82 0.33 0.47 116.42 122.77 1h1j h ASP 15 Ca 0.01 -0.40 -0.00 0.00 -0.39 0.00 0.00 57.03 56.25 1h1j h ASP 15 Cb 0.65 -0.00 -0.03 0.00 0.68 0.00 0.00 39.33 40.63 1h1j h ASP 15 CO 0.05 0.41 0.36 0.17 -1.61 0.00 0.00 179.24 178.61 1h1j h LEU 16 N -0.38 0.70 -0.79 2.28 -0.00 -0.24 -1.19 115.31 115.69 1h1j h LEU 16 Ca 0.00 -0.05 -0.13 0.00 -0.00 0.00 0.00 57.88 57.70 1h1j h LEU 16 Cb 0.40 -0.18 -0.01 0.00 -0.00 0.00 0.00 40.66 40.87 1h1j h LEU 16 CO 0.00 0.55 -0.48 -0.07 -0.00 0.00 0.00 178.44 178.44 1h1j h LEU 17 N 0.79 0.33 -0.84 0.17 3.38 -1.33 0.34 115.31 118.15 1h1j h LEU 17 Ca 0.21 -0.15 0.03 0.00 0.09 0.00 0.00 57.88 58.06 1h1j h LEU 17 Cb -0.03 -0.09 -0.05 0.00 0.09 0.00 0.00 40.66 40.58 1h1j h LEU 17 CO -0.04 0.76 0.54 0.74 0.09 0.00 0.00 178.44 180.52 1h1j h THR 18 N 0.24 1.13 0.00 0.22 2.02 0.61 0.31 112.91 117.44 1h1j h THR 18 Ca 0.01 -0.36 0.00 0.00 0.77 0.00 0.00 66.41 66.83 1h1j h THR 18 Cb 0.93 -0.01 0.00 0.00 -1.74 0.00 0.00 68.15 67.34 1h1j h THR 18 CO 0.08 0.19 0.00 0.11 0.37 0.00 0.00 175.52 176.27 1h1j h LYS 19 N 1.05 0.00 -0.01 6.66 6.56 -0.75 -3.04 116.57 127.04 1h1j h LYS 19 Ca 0.34 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.93 1h1j h LYS 19 Cb 0.01 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.67 1h1j h LYS 19 CO -0.12 0.00 -0.12 -2.13 -2.06 0.00 0.00 179.45 175.03 1h1j n ARG 20 N -2.65 0.96 -1.70 3.15 0.63 0.12 -4.88 116.66 112.29 1h1j n ARG 20 Ca 0.04 -0.43 -0.14 0.00 -0.92 0.00 0.00 57.85 56.40 1h1j n ARG 20 Cb 0.45 -1.49 -0.04 0.00 0.45 0.00 0.00 32.46 31.83 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 -0.64 -4.60 -3.18 6.15 2.85 0.03 -4.92 115.26 110.95 1h1j n ASN 21 Ca 0.16 0.23 -0.18 0.00 -0.11 0.00 0.00 54.58 54.67 1h1j n ASN 21 Cb 0.30 -3.49 -0.06 0.00 1.24 0.00 0.00 39.78 37.76 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 -3.53 0.30 0.86 1.20 1.98 -0.56 -5.05 118.68 113.89 1h1j s LEU 22 Ca 0.00 -2.46 -0.12 0.00 -2.89 0.00 0.00 54.13 48.66 1h1j s LEU 22 Cb 0.00 0.44 0.06 0.00 0.66 0.00 0.00 46.19 47.35 1h1j s LEU 22 CO 0.00 -0.14 -0.08 -1.20 -1.89 0.00 0.00 176.35 173.04 1h1j n SER 23 N 3.04 -2.65 -4.82 3.68 7.64 -1.25 -4.53 113.62 114.71 1h1j n SER 23 Ca 0.24 -0.19 -0.26 0.00 1.01 0.00 0.00 58.87 59.66 1h1j n SER 23 Cb 0.50 -0.66 -0.05 0.00 -1.01 0.00 0.00 64.21 62.99 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 -2.05 4.64 0.00 0.44 -7.23 -1.26 -4.94 120.40 110.00 1h1j s VAL 24 Ca 0.27 -1.00 0.00 0.00 -1.81 0.00 0.00 61.98 59.44 1h1j s VAL 24 Cb -0.02 -3.37 0.00 0.00 0.56 0.00 0.00 36.38 33.55 1h1j s VAL 24 CO 0.31 -0.10 0.00 0.61 -0.31 0.00 0.00 175.10 175.61 1h1j n GLY 25 N -0.36 0.00 0.00 2.32 0.00 -1.26 -4.92 105.19 100.98 1h1j n GLY 25 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.94 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 -1.42 3.55 -0.02 0.00 -1.26 -4.95 105.19 101.09 1h1j n GLY 26 Ca 0.00 0.45 -0.29 0.00 0.00 0.00 0.00 46.02 46.19 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 -1.60 1.34 0.21 0.99 2.34 -1.26 -4.63 118.68 116.06 1h1j s LEU 27 Ca 0.00 1.61 -0.10 0.00 0.06 0.00 0.00 54.13 55.70 1h1j s LEU 27 Cb 0.00 -3.65 0.29 0.00 -0.56 0.00 0.00 46.19 42.26 1h1j s LEU 27 CO 0.00 -3.83 1.70 0.50 -1.06 0.00 0.00 176.35 173.67 1h1j h LYS 28 N -2.37 0.25 -0.48 1.48 1.63 -1.99 -1.24 116.57 113.84 1h1j h LYS 28 Ca -0.57 -0.01 -0.04 0.00 -0.85 0.00 0.00 60.65 59.17 1h1j h LYS 28 Cb 1.32 -0.06 -0.02 0.00 -0.60 0.00 0.00 32.23 32.87 1h1j h LYS 28 CO 0.50 0.16 0.13 -0.91 -3.45 0.00 0.00 179.45 175.88 1h1j h ASN 29 N 0.25 0.73 -0.90 4.20 4.21 -1.99 -0.81 115.58 121.28 1h1j h ASN 29 Ca 0.31 -0.22 0.09 0.00 1.21 0.00 0.00 56.30 57.69 1h1j h ASN 29 Cb 0.46 -0.19 -0.06 0.00 -1.12 0.00 0.00 38.32 37.41 1h1j h ASN 29 CO -0.40 0.76 0.58 -0.33 -1.29 0.00 0.00 177.43 176.75 1h1j h GLU 30 N 0.66 0.90 -0.19 0.81 4.39 -1.64 0.48 114.58 119.98 1h1j h GLU 30 Ca 0.15 -0.05 -0.02 0.00 0.34 0.00 0.00 59.36 59.78 1h1j h GLU 30 Cb 0.31 -0.20 -0.01 0.00 -0.10 0.00 0.00 28.75 28.75 1h1j h GLU 30 CO -0.00 0.59 0.03 -0.07 -1.16 0.00 0.00 179.01 178.40 1h1j h LEU 31 N 0.92 0.30 -0.55 1.33 -0.00 -0.66 0.32 115.31 116.97 1h1j h LEU 31 Ca 0.41 -0.26 0.00 0.00 -0.00 0.00 0.00 57.88 58.03 1h1j h LEU 31 Cb 0.35 -0.08 -0.03 0.00 -0.00 0.00 0.00 40.66 40.91 1h1j h LEU 31 CO -0.17 0.49 0.35 1.62 -0.00 0.00 0.00 178.44 180.73 1h1j h VAL 32 N 0.11 1.15 -0.38 1.22 3.04 0.31 -1.46 116.25 120.24 1h1j h VAL 32 Ca 0.06 -0.29 -0.09 0.00 -1.01 0.00 0.00 66.70 65.37 1h1j h VAL 32 Cb 0.31 0.36 -0.01 0.00 -2.01 0.00 0.00 31.29 29.94 1h1j h VAL 32 CO 0.00 0.15 -0.11 1.56 -1.01 0.00 0.00 177.57 178.16 1h1j h GLN 33 N 0.74 0.75 -0.40 4.17 4.20 0.09 -1.40 115.11 123.26 1h1j h GLN 33 Ca 0.20 -0.30 -0.04 0.00 0.06 0.00 0.00 58.65 58.57 1h1j h GLN 33 Cb -0.06 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 27.66 1h1j h GLN 33 CO -0.04 0.90 0.10 -0.09 -0.67 0.00 0.00 178.83 179.03 1h1j h ARG 34 N 0.55 0.64 -0.10 1.46 2.43 -0.11 0.44 114.38 119.69 1h1j h ARG 34 Ca 0.09 -0.15 -0.06 0.00 -0.81 0.00 0.00 59.98 59.05 1h1j h ARG 34 Cb 0.64 -0.08 -0.00 0.00 -0.42 0.00 0.00 29.97 30.11 1h1j h ARG 34 CO 0.04 0.66 -0.17 -0.07 -1.51 0.00 0.00 179.97 178.93 1h1j h LEU 35 N 0.50 0.32 -0.25 3.80 3.38 -1.28 0.78 115.31 122.55 1h1j h LEU 35 Ca 0.12 -0.54 -0.10 0.00 0.09 0.00 0.00 57.88 57.46 1h1j h LEU 35 Cb 0.31 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 40.96 1h1j h LEU 35 CO 0.00 0.80 -0.22 0.40 0.09 0.00 0.00 178.44 179.51 1h1j h ILE 36 N -0.15 1.31 -0.24 1.22 2.04 -1.25 0.46 117.51 120.91 1h1j h ILE 36 Ca 0.01 -1.37 -0.13 0.00 1.00 0.00 0.00 64.86 64.37 1h1j h ILE 36 Cb 0.73 1.63 -0.00 0.00 -0.74 0.00 0.00 36.82 38.45 1h1j h ILE 36 CO 0.04 0.43 -0.35 0.11 0.00 0.00 0.00 178.15 178.38 1h1j h LYS 37 N 0.31 0.65 -0.11 2.37 1.79 -0.19 -0.06 116.57 121.33 1h1j h LYS 37 Ca 0.04 -0.39 -0.07 0.00 -2.18 0.00 0.00 60.65 58.06 1h1j h LYS 37 Cb 0.77 0.03 0.00 0.00 -1.58 0.00 0.00 32.23 31.45 1h1j h LYS 37 CO 0.06 1.00 -0.21 0.22 -1.08 0.00 0.00 179.45 179.43 1h1j h ASP 38 N 0.36 0.37 -0.13 0.86 1.82 -0.85 -2.02 116.42 116.84 1h1j h ASP 38 Ca 0.02 -0.56 -0.08 0.00 -0.39 0.00 0.00 57.03 56.02 1h1j h ASP 38 Cb 0.94 -0.11 -0.02 0.00 0.68 0.00 0.00 39.33 40.82 1h1j h ASP 38 CO 0.08 0.86 -0.16 -0.78 -1.61 0.00 0.00 179.24 177.63 1h1j h ASP 39 N -0.10 0.50 0.79 2.28 3.58 -0.13 -2.02 116.42 121.31 1h1j h ASP 39 Ca 0.00 -0.14 -0.10 0.00 0.42 0.00 0.00 57.03 57.22 1h1j h ASP 39 Cb 0.80 -0.13 -0.01 0.00 1.72 0.00 0.00 39.33 41.70 1h1j h ASP 39 CO 0.05 0.68 -0.46 -0.08 -2.88 0.00 0.00 179.24 176.55 1h1j h GLU 40 N 0.47 0.00 0.04 0.28 4.81 -0.98 -0.87 114.58 118.31 1h1j h GLU 40 Ca 0.08 0.00 -0.22 0.00 -0.13 0.00 0.00 59.36 59.09 1h1j h GLU 40 Cb 0.55 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.92 1h1j h GLU 40 CO 0.04 0.46 -1.02 0.93 -0.73 0.00 0.00 179.01 178.68 1h1j h GLU 41 N 0.00 0.13 0.00 1.92 5.08 -0.87 -3.26 114.58 117.58 1h1j h GLU 41 Ca -0.00 -0.19 -0.06 0.00 -1.00 0.00 0.00 59.36 58.10 1h1j h GLU 41 Cb 0.97 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 30.28 1h1j h GLU 41 CO 0.06 1.04 -0.83 0.77 -1.00 0.00 0.00 179.01 179.04 1h1j h SER 42 N 0.05 0.00 -1.86 1.42 0.02 -1.28 -3.47 113.55 108.44 1h1j h SER 42 Ca -0.05 0.00 -0.59 0.00 -0.84 0.00 0.00 61.79 60.31 1h1j h SER 42 Cb 1.73 0.00 -0.11 0.00 0.14 0.00 0.00 62.40 64.16 1h1j h SER 42 CO 0.15 0.25 -0.60 -0.75 -1.14 0.00 0.00 176.83 174.73 1h1j s LYS 43 N -3.14 2.07 0.00 3.45 2.20 -0.34 -5.10 119.74 118.87 1h1j s LYS 43 Ca 0.01 -1.81 0.00 0.00 -0.36 0.00 0.00 55.97 53.82 1h1j s LYS 43 Cb 0.08 -1.90 0.00 0.00 -1.51 0.00 0.00 37.83 34.51 1h1j s LYS 43 CO 0.77 0.09 0.12 0.41 -0.36 0.00 0.00 175.35 176.38