#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 0.07 -3.80 1.61 7.64 -1.26 -4.99 113.62 112.88 2wqg n SER 2 Ca 0.00 0.03 -0.12 0.00 1.01 0.00 0.00 58.87 59.78 2wqg n SER 2 Cb 0.00 1.20 -0.09 0.00 -1.01 0.00 0.00 64.21 64.30 2wqg n SER 2 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2wqg s ALA 3 N -2.79 -0.61 -0.25 -0.43 0.00 -1.26 -5.05 121.76 111.37 2wqg s ALA 3 Ca -0.09 0.25 0.20 0.00 0.00 0.00 0.00 51.96 52.32 2wqg s ALA 3 Cb 0.08 -0.00 0.46 0.00 0.00 0.00 0.00 23.12 23.66 2wqg s ALA 3 CO 0.85 -0.22 1.23 -3.47 0.00 0.00 0.00 175.76 174.15 2wqg n ASP 4 N 1.62 0.61 0.23 0.00 2.03 -1.26 -4.91 116.55 114.86 2wqg n ASP 4 Ca -0.20 -2.07 0.18 0.00 0.52 0.00 0.00 54.79 53.21 2wqg n ASP 4 Cb 0.56 -0.12 0.86 0.00 -0.72 0.00 0.00 41.12 41.70 2wqg n ASP 4 CO 0.00 0.00 0.00 1.88 -1.92 0.00 0.00 177.20 177.16 2wqg h TYR 5 N 1.93 0.00 -0.24 -0.67 -1.99 -1.97 -1.12 116.97 112.92 2wqg h TYR 5 Ca -0.25 0.00 0.07 0.00 2.00 0.00 0.00 58.73 60.55 2wqg h TYR 5 Cb 1.34 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 40.06 2wqg h TYR 5 CO 0.29 0.00 0.44 0.66 -0.00 0.00 0.00 178.16 179.56 2wqg h SER 6 N 0.00 0.00 0.00 3.88 4.64 -1.91 0.39 113.55 120.55 2wqg h SER 6 Ca 0.08 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.27 2wqg h SER 6 Cb 0.52 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.59 2wqg h SER 6 CO -0.00 0.00 -2.08 -1.54 -0.87 0.00 0.00 176.83 172.34 2wqg n SER 7 N -3.30 0.26 -3.37 4.97 3.41 -0.42 -4.98 113.62 110.18 2wqg n SER 7 Ca 0.04 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.65 2wqg n SER 7 Cb 0.56 1.60 0.00 0.00 -0.26 0.00 0.00 64.21 66.12 2wqg n SER 7 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2wqg n LEU 8 N -2.39 0.00 -4.57 1.04 4.32 0.14 -5.03 117.00 110.51 2wqg n LEU 8 Ca -0.14 0.00 -0.26 0.00 -0.02 0.00 0.00 56.01 55.59 2wqg n LEU 8 Cb 0.75 0.00 -0.09 0.00 -1.62 0.00 0.00 43.42 42.46 2wqg n LEU 8 CO 0.43 -0.96 -0.41 0.28 -1.22 0.00 0.00 177.39 175.50 2wqg s THR 9 N -0.43 3.15 0.46 -5.08 -1.32 -1.26 -5.01 115.64 106.14 2wqg s THR 9 Ca 0.00 -1.73 0.12 0.00 -1.21 0.00 0.00 61.69 58.86 2wqg s THR 9 Cb 0.00 -2.57 0.28 0.00 -1.51 0.00 0.00 72.50 68.70 2wqg s THR 9 CO 0.00 -0.15 2.08 -0.37 -2.21 0.00 0.00 174.62 173.97 2wqg h VAL 10 N 2.66 1.03 -0.30 5.08 -1.51 -1.96 0.18 116.25 121.44 2wqg h VAL 10 Ca -0.46 -0.11 -0.12 0.00 -1.23 0.00 0.00 66.70 64.78 2wqg h VAL 10 Cb 1.21 0.68 -0.00 0.00 -2.13 0.00 0.00 31.29 31.05 2wqg h VAL 10 CO 0.55 0.06 -0.28 -0.37 -1.23 0.00 0.00 177.57 176.29 2wqg h VAL 11 N 0.32 1.30 -0.08 7.19 -1.51 -1.98 -1.87 116.25 119.61 2wqg h VAL 11 Ca 0.12 -1.45 -0.11 0.00 -1.23 0.00 0.00 66.70 64.03 2wqg h VAL 11 Cb 0.08 1.56 0.01 0.00 -2.13 0.00 0.00 31.29 30.80 2wqg h VAL 11 CO -0.03 0.46 -0.39 1.56 -1.23 0.00 0.00 177.57 177.95 2wqg h GLN 12 N 0.46 0.40 -0.18 5.19 4.20 -1.82 -0.87 115.11 122.48 2wqg h GLN 12 Ca 0.05 -0.33 0.04 0.00 0.06 0.00 0.00 58.65 58.47 2wqg h GLN 12 Cb 0.85 0.07 -0.04 0.00 0.30 0.00 0.00 27.48 28.66 2wqg h GLN 12 CO 0.07 0.97 -0.06 -0.07 -0.67 0.00 0.00 178.83 179.06 2wqg h LEU 13 N -0.07 -0.22 -0.56 1.46 4.07 -0.71 0.14 115.31 119.43 2wqg h LEU 13 Ca -0.03 0.06 -0.16 0.00 0.08 0.00 0.00 57.88 57.84 2wqg h LEU 13 Cb 1.04 0.13 -0.01 0.00 1.08 0.00 0.00 40.66 42.90 2wqg h LEU 13 CO 0.08 -0.08 -0.68 0.07 -1.08 0.00 0.00 178.44 176.75 2wqg h LYS 14 N -0.03 0.19 -0.07 1.13 2.10 -1.41 -0.54 116.57 117.95 2wqg h LYS 14 Ca 0.09 -0.15 -0.01 0.00 -2.00 0.00 0.00 60.65 58.58 2wqg h LYS 14 Cb 0.17 0.03 -0.00 0.00 -0.90 0.00 0.00 32.23 31.52 2wqg h LYS 14 CO -0.21 0.80 0.01 0.22 -2.00 0.00 0.00 179.45 178.27 2wqg h ASP 15 N 0.13 0.12 0.34 7.07 -0.00 -0.67 -1.75 116.42 121.66 2wqg h ASP 15 Ca -0.02 -0.27 -0.11 0.00 -0.00 0.00 0.00 57.03 56.63 2wqg h ASP 15 Cb 1.22 -0.03 -0.01 0.00 -0.00 0.00 0.00 39.33 40.51 2wqg h ASP 15 CO 0.10 0.36 -0.48 0.17 -0.00 0.00 0.00 179.24 179.40 2wqg h LEU 16 N -0.13 0.17 0.35 2.28 -0.00 -0.77 -1.71 115.31 115.49 2wqg h LEU 16 Ca 0.02 -0.08 -0.00 0.00 -0.00 0.00 0.00 57.88 57.82 2wqg h LEU 16 Cb 0.30 -0.05 -0.02 0.00 -0.00 0.00 0.00 40.66 40.89 2wqg h LEU 16 CO 0.00 0.63 -0.36 -0.07 -0.00 0.00 0.00 178.44 178.64 2wqg h LEU 17 N 0.13 -0.98 -1.48 0.17 3.38 -0.82 -0.41 115.31 115.30 2wqg h LEU 17 Ca 0.01 0.09 -0.04 0.00 0.09 0.00 0.00 57.88 58.02 2wqg h LEU 17 Cb 0.89 0.33 -0.01 0.00 0.09 0.00 0.00 40.66 41.96 2wqg h LEU 17 CO 0.07 -0.50 -0.07 0.00 0.09 0.00 0.00 178.44 178.03 2wqg h THR 18 N -0.74 1.15 -0.46 0.22 1.03 -1.28 -0.92 112.91 111.92 2wqg h THR 18 Ca -0.02 -0.63 0.06 0.00 -0.01 0.00 0.00 66.41 65.81 2wqg h THR 18 Cb 0.67 1.10 -0.03 0.00 -1.07 0.00 0.00 68.15 68.83 2wqg h THR 18 CO -0.07 0.20 0.31 0.11 -0.01 0.00 0.00 175.52 176.06 2wqg h LYS 19 N 0.24 0.37 0.00 0.00 1.57 -0.28 0.15 116.57 118.62 2wqg h LYS 19 Ca 0.05 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 2wqg h LYS 19 Cb 0.28 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.51 2wqg h LYS 19 CO 0.01 0.24 -0.29 0.54 -0.57 0.00 0.00 179.45 179.38 2wqg n ARG 20 N -4.47 0.18 -0.10 3.15 1.74 -0.28 -4.92 116.66 111.96 2wqg n ARG 20 Ca 0.06 0.10 0.00 0.00 -0.77 0.00 0.00 57.85 57.24 2wqg n ARG 20 Cb 0.25 -1.66 0.00 0.00 -1.02 0.00 0.00 32.46 30.03 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 -1.94 0.00 0.00 0.55 2.85 0.51 -4.98 115.26 112.24 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 0.40 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.42 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 -1.10 -4.95 117.00 116.92 2wqg n LEU 22 Ca 0.00 0.50 0.00 0.00 -0.03 0.00 0.00 56.01 56.48 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 -0.53 0.00 0.00 -1.43 7.64 -1.24 -4.95 113.62 113.11 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 0.42 0.06 -0.56 0.44 0.24 -1.26 -4.32 118.33 113.35 2wqg n VAL 24 Ca 0.00 -0.18 -0.15 0.00 -2.04 0.00 0.00 64.34 61.97 2wqg n VAL 24 Cb 0.00 1.53 -0.03 0.00 -1.47 0.00 0.00 33.84 33.87 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 -0.03 2.63 0.00 7.63 0.00 -1.26 -3.99 105.19 110.16 2wqg n GLY 25 Ca 0.00 -0.65 0.00 0.00 0.00 0.00 0.00 46.02 45.37 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 3.58 0.04 0.00 -0.02 0.00 -1.26 -5.15 105.19 102.38 2wqg n GLY 26 Ca 0.32 0.10 0.00 0.00 0.00 0.00 0.00 46.02 46.44 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 -0.14 0.00 -0.06 0.99 -0.00 -1.26 -4.91 117.00 111.62 2wqg n LEU 27 Ca 0.00 0.00 -0.13 0.00 -0.00 0.00 0.00 56.01 55.88 2wqg n LEU 27 Cb 0.00 0.00 -0.07 0.00 -0.00 0.00 0.00 43.42 43.35 2wqg n LEU 27 CO 0.00 0.00 0.54 0.50 -0.00 0.00 0.00 177.39 178.43 2wqg h LYS 28 N 0.00 -0.44 -0.68 1.96 3.64 -1.95 2.30 116.57 121.40 2wqg h LYS 28 Ca 0.00 0.03 0.10 0.00 -1.27 0.00 0.00 60.65 59.51 2wqg h LYS 28 Cb 0.00 0.10 -0.07 0.00 -0.41 0.00 0.00 32.23 31.85 2wqg h LYS 28 CO 0.00 -0.29 0.31 -2.95 -2.27 0.00 0.00 179.45 174.25 2wqg h ASN 29 N -0.46 0.37 0.22 4.20 -1.07 -1.96 0.44 115.58 117.32 2wqg h ASN 29 Ca 0.08 0.07 -0.06 0.00 0.07 0.00 0.00 56.30 56.46 2wqg h ASN 29 Cb 0.63 0.01 -0.01 0.00 -2.07 0.00 0.00 38.32 36.88 2wqg h ASN 29 CO -0.50 0.21 -0.25 -0.33 0.07 0.00 0.00 177.43 176.63 2wqg h GLU 30 N 0.53 0.07 -0.17 4.14 5.08 -1.36 -1.87 114.58 120.99 2wqg h GLU 30 Ca 0.34 -0.02 -0.17 0.00 -1.00 0.00 0.00 59.36 58.51 2wqg h GLU 30 Cb 0.39 -0.01 0.01 0.00 0.50 0.00 0.00 28.75 29.63 2wqg h GLU 30 CO -0.29 0.32 -0.55 -1.49 -1.00 0.00 0.00 179.01 176.01 2wqg h TRP 31 N 0.06 0.88 -0.70 4.33 6.55 0.74 0.33 115.95 128.14 2wqg h TRP 31 Ca 0.01 -0.36 -0.01 0.00 0.95 0.00 0.00 58.89 59.48 2wqg h TRP 31 Cb 0.48 -0.15 -0.03 0.00 -0.86 0.00 0.00 29.16 28.60 2wqg h TRP 31 CO 0.00 1.15 0.38 0.28 -1.05 0.00 0.00 178.44 179.21 2wqg h VAL 32 N 0.36 1.22 -0.23 1.49 2.07 0.01 0.31 116.25 121.48 2wqg h VAL 32 Ca -0.02 -0.54 -0.18 0.00 0.82 0.00 0.00 66.70 66.78 2wqg h VAL 32 Cb 1.17 0.30 -0.00 0.00 -1.52 0.00 0.00 31.29 31.23 2wqg h VAL 32 CO 0.12 0.24 -0.56 1.56 0.02 0.00 0.00 177.57 178.94 2wqg h GLN 33 N 0.96 0.71 -0.36 1.57 7.50 -1.29 0.30 115.11 124.50 2wqg h GLN 33 Ca 0.25 -0.45 -0.01 0.00 0.50 0.00 0.00 58.65 58.93 2wqg h GLN 33 Cb 0.04 0.06 -0.02 0.00 0.05 0.00 0.00 27.48 27.61 2wqg h GLN 33 CO -0.04 1.08 0.18 0.00 -1.50 0.00 0.00 178.83 178.55 2wqg h ARG 34 N 0.54 0.51 0.06 1.46 3.08 0.23 0.15 114.38 120.41 2wqg h ARG 34 Ca 0.01 -0.07 -0.00 0.00 0.07 0.00 0.00 59.98 59.99 2wqg h ARG 34 Cb 1.14 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 31.09 2wqg h ARG 34 CO 0.11 0.44 -0.03 -0.07 -1.07 0.00 0.00 179.97 179.35 2wqg h LEU 35 N 0.44 -0.07 -0.99 3.04 3.38 -0.36 -0.30 115.31 120.46 2wqg h LEU 35 Ca 0.12 -0.50 0.16 0.00 0.09 0.00 0.00 57.88 57.75 2wqg h LEU 35 Cb 0.09 0.02 -0.10 0.00 0.09 0.00 0.00 40.66 40.76 2wqg h LEU 35 CO -0.02 0.49 0.60 0.40 0.09 0.00 0.00 178.44 180.01 2wqg h ILE 36 N -0.67 0.79 -0.05 1.22 2.04 -0.37 0.47 117.51 120.94 2wqg h ILE 36 Ca -0.01 -0.29 -0.15 0.00 1.00 0.00 0.00 64.86 65.42 2wqg h ILE 36 Cb 0.57 -0.12 -0.01 0.00 -0.74 0.00 0.00 36.82 36.51 2wqg h ILE 36 CO 0.01 0.15 -0.62 0.50 0.00 0.00 0.00 178.15 178.19 2wqg h LYS 37 N 0.84 0.19 -0.29 2.37 1.63 -0.68 -0.48 116.57 120.15 2wqg h LYS 37 Ca 0.54 -0.14 -0.04 0.00 -0.85 0.00 0.00 60.65 60.16 2wqg h LYS 37 Cb 0.71 0.02 -0.01 0.00 -0.60 0.00 0.00 32.23 32.35 2wqg h LYS 37 CO -0.34 0.75 0.03 0.22 -3.45 0.00 0.00 179.45 176.67 2wqg h ASP 38 N 0.14 0.47 0.73 4.20 1.82 0.16 -1.88 116.42 122.07 2wqg h ASP 38 Ca -0.01 -0.28 -0.10 0.00 -0.39 0.00 0.00 57.03 56.25 2wqg h ASP 38 Cb 1.13 -0.13 -0.01 0.00 0.68 0.00 0.00 39.33 41.00 2wqg h ASP 38 CO 0.09 0.63 -0.50 0.44 -1.61 0.00 0.00 179.24 178.30 2wqg h ASP 39 N 0.29 0.00 1.09 2.28 3.45 -0.52 -2.79 116.42 120.22 2wqg h ASP 39 Ca 0.08 0.00 -0.02 0.00 0.43 0.00 0.00 57.03 57.53 2wqg h ASP 39 Cb 0.37 0.00 -0.00 0.00 -0.56 0.00 0.00 39.33 39.14 2wqg h ASP 39 CO 0.01 0.50 -0.09 -0.33 -1.57 0.00 0.00 179.24 177.75 2wqg h GLU 40 N 0.00 0.00 0.00 3.56 5.08 -0.80 -3.06 114.58 119.36 2wqg h GLU 40 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2wqg h GLU 40 Cb 1.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.25 2wqg h GLU 40 CO 0.06 0.09 0.39 0.93 -1.00 0.00 0.00 179.01 179.49 2wqg h GLU 41 N 0.00 0.00 0.00 2.33 4.39 -1.06 0.85 114.58 121.09 2wqg h GLU 41 Ca -0.00 0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.66 2wqg h GLU 41 Cb 0.66 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.30 2wqg h GLU 41 CO 0.01 0.00 -1.02 1.03 -1.16 0.00 0.00 179.01 177.87 2wqg h SER 42 N 0.00 0.00 -4.19 1.42 0.87 -1.75 -3.47 113.55 106.43 2wqg h SER 42 Ca 0.00 0.00 -0.15 0.00 -1.23 0.00 0.00 61.79 60.41 2wqg h SER 42 Cb 0.78 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.73 2wqg h SER 42 CO 0.00 0.15 -0.19 1.17 -0.53 0.00 0.00 176.83 177.42 2wqg n LYS 43 N -2.77 -2.48 0.00 2.24 4.81 0.29 -4.77 118.16 115.49 2wqg n LYS 43 Ca -0.02 0.37 0.00 0.00 -0.87 0.00 0.00 58.31 57.79 2wqg n LYS 43 Cb 0.62 -4.92 0.00 0.00 0.02 0.00 0.00 35.03 30.75 2wqg n LYS 43 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2wqg n GLY 44 N -0.67 2.48 2.01 3.14 0.00 -1.26 -5.12 105.19 105.76 2wqg n GLY 44 Ca -0.09 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 45.69 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 0.00 0.00 -3.42 1.61 2.13 -1.26 -5.10 120.64 114.61 2wqg n GLU 45 Ca 0.00 0.00 -0.38 0.00 0.66 0.00 0.00 57.16 57.44 2wqg n GLU 45 Cb 0.00 0.00 -0.06 0.00 0.27 0.00 0.00 31.44 31.65 2wqg n GLU 45 CO 0.00 0.00 0.00 -1.54 -0.41 0.00 0.00 177.13 175.18 2wqg s SER 46 N -4.89 6.84 0.92 4.31 1.04 -1.26 -5.08 113.70 115.58 2wqg s SER 46 Ca 0.00 1.00 -0.15 0.00 0.48 0.00 0.00 55.95 57.29 2wqg s SER 46 Cb 0.00 -2.28 0.16 0.00 0.10 0.00 0.00 66.02 64.00 2wqg s SER 46 CO 0.00 0.26 1.26 -1.61 0.98 0.00 0.00 173.24 174.13 2wqg s GLU 47 N -0.77 1.04 -0.14 4.02 8.01 -1.26 -4.96 118.70 124.63 2wqg s GLU 47 Ca 0.25 -0.21 0.02 0.00 0.01 0.00 0.00 54.97 55.04 2wqg s GLU 47 Cb -0.17 -1.87 0.00 0.00 -4.31 0.00 0.00 34.13 27.78 2wqg s GLU 47 CO 0.14 -2.17 -0.19 0.14 0.01 0.00 0.00 175.26 173.18 2wqg s VAL 48 N -3.74 2.32 -0.45 2.63 -7.23 -1.26 -5.05 120.40 107.61 2wqg s VAL 48 Ca 0.70 -0.90 0.07 0.00 -1.81 0.00 0.00 61.98 60.04 2wqg s VAL 48 Cb -0.07 -1.94 0.25 0.00 0.56 0.00 0.00 36.38 35.18 2wqg s VAL 48 CO 0.52 0.54 0.57 -0.24 -0.31 0.00 0.00 175.10 176.18 2wqg n SER 49 N 4.00 1.05 -4.00 4.85 2.88 -1.26 -5.04 113.62 116.10 2wqg n SER 49 Ca -0.19 -2.87 -0.32 0.00 -1.33 0.00 0.00 58.87 54.15 2wqg n SER 49 Cb 0.52 -0.65 -0.10 0.00 -0.75 0.00 0.00 64.21 63.23 2wqg n SER 49 CO 0.00 0.00 0.00 -2.65 -1.23 0.00 0.00 175.04 171.16 2wqg n PRO 50 N 1.31 0.41 0.00 -1.46 -0.02 -1.26 -5.34 135.00 128.65 2wqg n PRO 50 Ca 0.23 -1.52 0.00 0.00 -2.02 0.00 0.00 63.50 60.20 2wqg n PRO 50 Cb 0.50 -3.19 0.00 0.00 -0.02 0.00 0.00 33.50 30.79 2wqg n PRO 50 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52