#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wqg n SER 2 N 0.00 0.16 -3.56 1.61 2.88 -1.26 -5.12 113.62 108.33 2wqg n SER 2 Ca 0.00 0.02 -0.13 0.00 -1.33 0.00 0.00 58.87 57.43 2wqg n SER 2 Cb 0.00 -0.24 -0.06 0.00 -0.75 0.00 0.00 64.21 63.16 2wqg n SER 2 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2wqg s ALA 3 N -2.41 -1.87 -0.22 -1.46 0.00 -1.26 -5.02 121.76 109.53 2wqg s ALA 3 Ca -0.01 1.54 0.17 0.00 0.00 0.00 0.00 51.96 53.66 2wqg s ALA 3 Cb 0.00 -0.54 0.40 0.00 0.00 0.00 0.00 23.12 22.99 2wqg s ALA 3 CO 0.02 -0.33 1.25 -3.47 0.00 0.00 0.00 175.76 173.23 2wqg n ASP 4 N 1.05 0.17 -0.14 0.00 -0.08 -1.26 -4.93 116.55 111.36 2wqg n ASP 4 Ca -0.14 -2.08 0.26 0.00 -1.51 0.00 0.00 54.79 51.32 2wqg n ASP 4 Cb 0.57 0.03 0.71 0.00 2.34 0.00 0.00 41.12 44.77 2wqg n ASP 4 CO 0.00 0.00 0.00 1.88 0.12 0.00 0.00 177.20 179.20 2wqg h TYR 5 N 1.52 0.02 -0.51 -0.67 0.05 -1.96 0.19 116.97 115.61 2wqg h TYR 5 Ca -0.31 0.00 0.15 0.00 0.05 0.00 0.00 58.73 58.62 2wqg h TYR 5 Cb 1.39 -0.01 -0.02 0.00 1.01 0.00 0.00 36.73 39.10 2wqg h TYR 5 CO 0.18 0.00 0.62 1.03 -1.05 0.00 0.00 178.16 178.94 2wqg h SER 6 N 0.01 0.00 0.09 3.88 0.87 -1.91 0.39 113.55 116.88 2wqg h SER 6 Ca 0.39 0.00 -0.25 0.00 -1.23 0.00 0.00 61.79 60.70 2wqg h SER 6 Cb 1.53 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 63.44 2wqg h SER 6 CO -0.01 0.00 -2.16 -1.20 -0.53 0.00 0.00 176.83 172.93 2wqg n SER 7 N -3.52 0.12 -3.30 6.23 7.64 0.05 -4.97 113.62 115.86 2wqg n SER 7 Ca 0.10 0.05 0.00 0.00 1.01 0.00 0.00 58.87 60.03 2wqg n SER 7 Cb 0.81 1.14 0.00 0.00 -1.01 0.00 0.00 64.21 65.15 2wqg n SER 7 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2wqg n LEU 8 N -2.65 0.00 -4.65 -3.43 4.32 0.14 -5.03 117.00 105.70 2wqg n LEU 8 Ca -0.22 0.00 -0.25 0.00 -0.02 0.00 0.00 56.01 55.52 2wqg n LEU 8 Cb 0.97 0.00 -0.07 0.00 -1.62 0.00 0.00 43.42 42.69 2wqg n LEU 8 CO 0.44 -1.08 -0.33 0.28 -1.22 0.00 0.00 177.39 175.48 2wqg s THR 9 N -0.54 3.58 0.46 -5.08 -1.32 -1.26 -5.00 115.64 106.47 2wqg s THR 9 Ca 0.00 -1.67 0.12 0.00 -1.21 0.00 0.00 61.69 58.94 2wqg s THR 9 Cb 0.00 -2.85 0.23 0.00 -1.51 0.00 0.00 72.50 68.37 2wqg s THR 9 CO 0.00 -0.24 2.05 -0.37 -2.21 0.00 0.00 174.62 173.85 2wqg h VAL 10 N 2.19 1.08 -0.19 5.08 -1.51 -1.96 0.27 116.25 121.22 2wqg h VAL 10 Ca -0.46 -0.32 -0.12 0.00 -1.23 0.00 0.00 66.70 64.57 2wqg h VAL 10 Cb 1.23 1.01 0.00 0.00 -2.13 0.00 0.00 31.29 31.39 2wqg h VAL 10 CO 0.59 0.11 -0.35 -0.37 -1.23 0.00 0.00 177.57 176.31 2wqg h VAL 11 N 0.16 1.34 -0.17 7.19 -1.51 -1.98 -1.92 116.25 119.35 2wqg h VAL 11 Ca 0.04 -1.58 -0.22 0.00 -1.23 0.00 0.00 66.70 63.71 2wqg h VAL 11 Cb 0.13 1.88 0.01 0.00 -2.13 0.00 0.00 31.29 31.18 2wqg h VAL 11 CO 0.00 0.49 -0.75 1.56 -1.23 0.00 0.00 177.57 177.64 2wqg h GLN 12 N 0.24 0.78 0.50 5.19 4.20 -1.87 -0.76 115.11 123.38 2wqg h GLN 12 Ca 0.01 -0.61 -0.02 0.00 0.06 0.00 0.00 58.65 58.09 2wqg h GLN 12 Cb 0.95 0.12 -0.01 0.00 0.30 0.00 0.00 27.48 28.84 2wqg h GLN 12 CO 0.08 1.23 -0.31 -0.07 -0.67 0.00 0.00 178.83 179.09 2wqg h LEU 13 N 0.54 -0.77 -1.04 1.46 4.07 -0.49 0.12 115.31 119.19 2wqg h LEU 13 Ca -0.04 0.05 -0.10 0.00 0.08 0.00 0.00 57.88 57.86 2wqg h LEU 13 Cb 1.37 0.23 -0.01 0.00 1.08 0.00 0.00 40.66 43.32 2wqg h LEU 13 CO 0.15 -0.49 -0.48 0.07 -1.08 0.00 0.00 178.44 176.62 2wqg h LYS 14 N -0.77 0.00 0.09 1.13 2.10 -1.42 -0.53 116.57 117.16 2wqg h LYS 14 Ca -0.06 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.59 2wqg h LYS 14 Cb 0.63 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.96 2wqg h LYS 14 CO 0.06 0.48 -0.04 0.22 -2.00 0.00 0.00 179.45 178.16 2wqg h ASP 15 N 0.00 -0.10 0.18 7.07 -0.00 -0.87 -1.42 116.42 121.29 2wqg h ASP 15 Ca -0.00 -0.21 -0.07 0.00 -0.00 0.00 0.00 57.03 56.74 2wqg h ASP 15 Cb 0.85 0.03 -0.01 0.00 -0.00 0.00 0.00 39.33 40.20 2wqg h ASP 15 CO 0.06 0.16 -0.27 0.17 -0.00 0.00 0.00 179.24 179.36 2wqg h LEU 16 N -0.36 0.15 0.54 2.28 -0.00 -0.93 -1.92 115.31 115.07 2wqg h LEU 16 Ca -0.01 -0.04 -0.02 0.00 -0.00 0.00 0.00 57.88 57.81 2wqg h LEU 16 Cb 0.30 -0.04 -0.01 0.00 -0.00 0.00 0.00 40.66 40.92 2wqg h LEU 16 CO 0.02 0.42 -0.33 -0.07 -0.00 0.00 0.00 178.44 178.48 2wqg h LEU 17 N 0.14 -0.84 -1.70 0.17 3.38 -0.71 0.37 115.31 116.11 2wqg h LEU 17 Ca 0.02 0.05 -0.02 0.00 0.09 0.00 0.00 57.88 58.02 2wqg h LEU 17 Cb 0.55 0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.55 2wqg h LEU 17 CO 0.04 -0.52 -0.07 0.00 0.09 0.00 0.00 178.44 177.98 2wqg h THR 18 N -0.83 1.10 -0.35 0.22 1.03 -1.18 0.03 112.91 112.92 2wqg h THR 18 Ca -0.06 -0.41 -0.02 0.00 -0.01 0.00 0.00 66.41 65.91 2wqg h THR 18 Cb 0.68 1.12 -0.02 0.00 -1.07 0.00 0.00 68.15 68.85 2wqg h THR 18 CO 0.06 0.13 0.15 0.11 -0.01 0.00 0.00 175.52 175.96 2wqg h LYS 19 N 0.11 0.49 0.00 0.00 1.57 -0.48 -0.84 116.57 117.42 2wqg h LYS 19 Ca 0.02 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 2wqg h LYS 19 Cb 0.19 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.40 2wqg h LYS 19 CO 0.01 0.40 -0.15 0.54 -0.57 0.00 0.00 179.45 179.68 2wqg n ARG 20 N -4.41 0.24 -0.10 3.15 1.74 0.03 -4.91 116.66 112.39 2wqg n ARG 20 Ca 0.02 0.16 0.00 0.00 -0.77 0.00 0.00 57.85 57.26 2wqg n ARG 20 Cb 0.13 -1.74 0.00 0.00 -1.02 0.00 0.00 32.46 29.83 2wqg n ARG 20 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 2wqg n ASN 21 N -2.14 0.00 0.00 0.55 2.85 -0.32 -4.97 115.26 111.23 2wqg n ASN 21 Ca 0.05 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.52 2wqg n ASN 21 Cb 0.42 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.44 2wqg n ASN 21 CO 0.00 0.00 0.00 0.18 -2.11 0.00 0.00 177.26 175.33 2wqg n LEU 22 N 0.00 0.00 0.00 1.20 4.77 -1.13 -4.96 117.00 116.88 2wqg n LEU 22 Ca 0.00 0.45 0.00 0.00 -0.03 0.00 0.00 56.01 56.43 2wqg n LEU 22 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 2wqg n LEU 22 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.39 174.86 2wqg n SER 23 N -0.45 0.00 0.00 -1.43 7.64 -1.24 -4.97 113.62 113.17 2wqg n SER 23 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 2wqg n SER 23 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 2wqg n SER 23 CO 0.00 0.00 0.00 1.33 -3.01 0.00 0.00 175.04 173.36 2wqg n VAL 24 N -1.44 0.04 -0.74 0.44 0.24 -1.26 -4.46 118.33 111.15 2wqg n VAL 24 Ca 0.00 -0.20 -0.23 0.00 -2.04 0.00 0.00 64.34 61.86 2wqg n VAL 24 Cb 0.00 1.55 -0.02 0.00 -1.47 0.00 0.00 33.84 33.90 2wqg n VAL 24 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2wqg n GLY 25 N -0.02 2.91 0.00 7.63 0.00 -1.26 -4.01 105.19 110.44 2wqg n GLY 25 Ca 0.00 -0.84 0.00 0.00 0.00 0.00 0.00 46.02 45.18 2wqg n GLY 25 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wqg n GLY 26 N 3.90 -0.64 0.00 -0.02 0.00 -1.26 -5.15 105.19 102.01 2wqg n GLY 26 Ca 0.42 0.32 0.00 0.00 0.00 0.00 0.00 46.02 46.76 2wqg n GLY 26 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2wqg n LEU 27 N -0.25 0.00 0.02 0.99 -0.00 -1.26 -4.95 117.00 111.55 2wqg n LEU 27 Ca 0.00 0.00 -0.14 0.00 -0.00 0.00 0.00 56.01 55.87 2wqg n LEU 27 Cb 0.00 0.00 -0.08 0.00 -0.00 0.00 0.00 43.42 43.34 2wqg n LEU 27 CO 0.00 0.00 0.55 0.50 -0.00 0.00 0.00 177.39 178.44 2wqg h LYS 28 N 0.00 -0.55 -0.57 1.96 3.64 -1.95 2.78 116.57 121.88 2wqg h LYS 28 Ca 0.00 0.04 0.09 0.00 -1.27 0.00 0.00 60.65 59.51 2wqg h LYS 28 Cb 0.00 0.12 -0.07 0.00 -0.41 0.00 0.00 32.23 31.87 2wqg h LYS 28 CO 0.00 -0.36 0.19 -2.95 -2.27 0.00 0.00 179.45 174.06 2wqg h ASN 29 N -0.57 0.17 0.55 4.20 -1.07 -1.96 0.35 115.58 117.24 2wqg h ASN 29 Ca 0.05 0.08 -0.08 0.00 0.07 0.00 0.00 56.30 56.42 2wqg h ASN 29 Cb 0.67 0.07 -0.01 0.00 -2.07 0.00 0.00 38.32 36.98 2wqg h ASN 29 CO -0.39 0.11 -0.38 1.05 0.07 0.00 0.00 177.43 177.89 2wqg h GLU 30 N 0.36 0.00 -0.30 4.14 -0.00 -1.69 -2.04 114.58 115.05 2wqg h GLU 30 Ca 0.29 0.00 -0.12 0.00 -0.00 0.00 0.00 59.36 59.53 2wqg h GLU 30 Cb 0.36 0.00 -0.01 0.00 -0.00 0.00 0.00 28.75 29.10 2wqg h GLU 30 CO -0.31 0.38 -0.32 -1.49 -0.00 0.00 0.00 179.01 177.27 2wqg h TRP 31 N 0.00 0.74 -0.14 2.06 6.55 0.85 -0.17 115.95 125.83 2wqg h TRP 31 Ca -0.00 -0.19 -0.03 0.00 0.95 0.00 0.00 58.89 59.62 2wqg h TRP 31 Cb 0.75 -0.17 -0.00 0.00 -0.86 0.00 0.00 29.16 28.88 2wqg h TRP 31 CO 0.00 0.88 -0.01 0.28 -1.05 0.00 0.00 178.44 178.53 2wqg h VAL 32 N 0.54 1.27 -0.49 1.49 2.07 -0.07 0.57 116.25 121.63 2wqg h VAL 32 Ca 0.06 -0.90 -0.02 0.00 0.82 0.00 0.00 66.70 66.67 2wqg h VAL 32 Cb 0.81 1.58 -0.02 0.00 -1.52 0.00 0.00 31.29 32.14 2wqg h VAL 32 CO 0.07 0.26 0.24 1.56 0.02 0.00 0.00 177.57 179.72 2wqg h GLN 33 N -0.02 0.71 -0.41 1.57 1.08 -1.23 0.34 115.11 117.15 2wqg h GLN 33 Ca 0.04 -0.10 -0.14 0.00 -1.45 0.00 0.00 58.65 57.00 2wqg h GLN 33 Cb 0.41 -0.13 -0.01 0.00 -0.05 0.00 0.00 27.48 27.70 2wqg h GLN 33 CO 0.01 0.58 -0.29 0.07 -0.95 0.00 0.00 178.83 178.26 2wqg h ARG 34 N 0.65 0.88 0.12 1.46 0.11 -1.00 -1.08 114.38 115.53 2wqg h ARG 34 Ca 0.17 -0.40 -0.01 0.00 0.10 0.00 0.00 59.98 59.84 2wqg h ARG 34 Cb 0.11 -0.02 0.00 0.00 1.11 0.00 0.00 29.97 31.17 2wqg h ARG 34 CO -0.02 1.05 -0.06 -0.07 0.10 0.00 0.00 179.97 180.97 2wqg h LEU 35 N 0.75 -0.13 -1.17 0.08 3.38 -0.67 0.72 115.31 118.26 2wqg h LEU 35 Ca 0.09 -0.34 0.13 0.00 0.09 0.00 0.00 57.88 57.85 2wqg h LEU 35 Cb 0.85 0.03 -0.08 0.00 0.09 0.00 0.00 40.66 41.55 2wqg h LEU 35 CO 0.07 0.29 0.60 0.40 0.09 0.00 0.00 178.44 179.89 2wqg h ILE 36 N -0.59 0.87 -0.04 1.22 2.04 -0.34 0.39 117.51 121.06 2wqg h ILE 36 Ca -0.02 -0.28 -0.14 0.00 1.00 0.00 0.00 64.86 65.42 2wqg h ILE 36 Cb 0.47 -0.02 -0.01 0.00 -0.74 0.00 0.00 36.82 36.52 2wqg h ILE 36 CO 0.03 0.15 -0.61 0.50 0.00 0.00 0.00 178.15 178.22 2wqg h LYS 37 N 0.82 0.15 -0.41 2.37 3.64 -1.09 -0.57 116.57 121.48 2wqg h LYS 37 Ca 0.47 -0.11 -0.05 0.00 -1.27 0.00 0.00 60.65 59.69 2wqg h LYS 37 Cb 0.62 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.44 2wqg h LYS 37 CO -0.23 0.71 0.06 0.22 -2.27 0.00 0.00 179.45 177.95 2wqg h ASP 38 N 0.11 0.66 0.92 4.20 3.58 0.21 -1.67 116.42 124.43 2wqg h ASP 38 Ca -0.01 -0.26 -0.13 0.00 0.42 0.00 0.00 57.03 57.05 2wqg h ASP 38 Cb 1.10 -0.17 -0.02 0.00 1.72 0.00 0.00 39.33 41.95 2wqg h ASP 38 CO 0.09 0.75 -0.61 0.44 -2.88 0.00 0.00 179.24 177.03 2wqg h ASP 39 N 0.54 0.00 1.23 2.28 3.32 -0.86 -3.04 116.42 119.90 2wqg h ASP 39 Ca 0.12 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.15 2wqg h ASP 39 Cb 0.38 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.92 2wqg h ASP 39 CO 0.01 0.61 -0.10 -0.08 -1.72 0.00 0.00 179.24 177.97 2wqg h GLU 40 N 0.00 0.00 -0.06 3.56 4.81 -0.84 -3.09 114.58 118.96 2wqg h GLU 40 Ca -0.01 0.00 0.02 0.00 -0.13 0.00 0.00 59.36 59.24 2wqg h GLU 40 Cb 1.24 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.62 2wqg h GLU 40 CO 0.08 0.10 0.46 0.93 -0.73 0.00 0.00 179.01 179.85 2wqg h GLU 41 N 0.00 0.00 0.00 1.92 5.08 -1.18 0.29 114.58 120.68 2wqg h GLU 41 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2wqg h GLU 41 Cb 0.74 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.99 2wqg h GLU 41 CO 0.01 0.00 -0.27 0.43 -1.00 0.00 0.00 179.01 178.19 2wqg n SER 42 N -2.91 1.33 -2.24 1.42 7.64 -1.18 -3.85 113.62 113.84 2wqg n SER 42 Ca -0.00 -0.36 -0.08 0.00 1.01 0.00 0.00 58.87 59.44 2wqg n SER 42 Cb 0.52 0.98 -0.01 0.00 -1.01 0.00 0.00 64.21 64.69 2wqg n SER 42 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 2wqg n LYS 43 N -1.12 -2.28 -1.95 1.43 3.00 0.09 -0.35 118.16 116.99 2wqg n LYS 43 Ca 0.00 0.38 -0.12 0.00 -0.00 0.00 0.00 58.31 58.57 2wqg n LYS 43 Cb 0.00 -4.87 -0.03 0.00 0.00 0.00 0.00 35.03 30.14 2wqg n LYS 43 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2wqg n GLY 44 N -0.59 0.24 1.55 3.14 0.00 -1.26 -4.33 105.19 103.94 2wqg n GLY 44 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.93 2wqg n GLY 44 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2wqg n GLU 45 N -2.34 0.00 -2.53 1.61 2.13 0.53 -5.03 120.64 115.01 2wqg n GLU 45 Ca -0.13 0.00 -0.43 0.00 0.66 0.00 0.00 57.16 57.26 2wqg n GLU 45 Cb 0.51 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.22 2wqg n GLU 45 CO 0.00 0.00 0.00 0.43 -0.41 0.00 0.00 177.13 177.15 2wqg n SER 46 N -2.52 4.86 -4.75 4.31 7.64 -0.53 -4.97 113.62 117.67 2wqg n SER 46 Ca 0.00 -2.92 -0.40 0.00 1.01 0.00 0.00 58.87 56.55 2wqg n SER 46 Cb 0.00 -1.71 -0.05 0.00 -1.01 0.00 0.00 64.21 61.44 2wqg n SER 46 CO 0.00 0.00 0.00 -1.83 -3.01 0.00 0.00 175.04 170.20 2wqg s GLU 47 N 3.61 4.73 -0.03 1.43 -1.05 -1.22 -4.34 118.70 121.83 2wqg s GLU 47 Ca 0.51 1.60 0.21 0.00 -0.15 0.00 0.00 54.97 57.14 2wqg s GLU 47 Cb 0.04 -3.27 0.37 0.00 -0.44 0.00 0.00 34.13 30.83 2wqg s GLU 47 CO 0.05 0.32 1.15 1.33 0.95 0.00 0.00 175.26 179.05 2wqg n VAL 48 N 1.80 0.13 -2.50 1.83 0.24 -1.25 -5.03 118.33 113.54 2wqg n VAL 48 Ca -0.00 -1.03 -0.30 0.00 -2.04 0.00 0.00 64.34 60.97 2wqg n VAL 48 Cb 0.47 0.95 -0.01 0.00 -1.47 0.00 0.00 33.84 33.78 2wqg n VAL 48 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 2wqg s SER 49 N -2.00 6.37 0.52 -1.34 0.01 -1.26 -4.98 113.70 111.02 2wqg s SER 49 Ca 0.27 1.17 0.31 0.00 1.31 0.00 0.00 55.95 59.01 2wqg s SER 49 Cb 0.32 -2.35 1.34 0.00 0.21 0.00 0.00 66.02 65.54 2wqg s SER 49 CO -0.13 -0.59 1.98 1.55 0.41 0.00 0.00 173.24 176.46 2wqg h PRO 50 N 0.47 0.00 0.00 12.44 0.13 -2.01 -3.54 132.00 139.48 2wqg h PRO 50 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 2wqg h PRO 50 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 2wqg h PRO 50 CO 0.62 0.08 0.00 1.04 -0.23 0.00 0.00 178.00 179.52