#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wqg h SER 2 N 0.00 -0.00 -3.47 1.61 0.87 -2.04 -3.45 113.55 107.07 2wqg h SER 2 Ca 0.00 -0.58 -0.66 0.00 -1.23 0.00 0.00 61.79 59.31 2wqg h SER 2 Cb 0.00 0.00 -0.14 0.00 -0.44 0.00 0.00 62.40 61.82 2wqg h SER 2 CO 0.00 0.58 -0.69 0.00 -0.53 0.00 0.00 176.83 176.20 2wqg s ALA 3 N -3.85 3.14 -0.15 6.23 0.00 -1.26 -5.02 121.76 120.85 2wqg s ALA 3 Ca -0.16 -1.09 0.20 0.00 0.00 0.00 0.00 51.96 50.91 2wqg s ALA 3 Cb 0.01 -1.14 0.41 0.00 0.00 0.00 0.00 23.12 22.41 2wqg s ALA 3 CO 0.67 0.66 1.18 -3.47 0.00 0.00 0.00 175.76 174.80 2wqg n ASP 4 N 1.00 0.70 -0.14 0.00 -0.08 -1.26 -4.91 116.55 111.86 2wqg n ASP 4 Ca -0.13 -2.04 0.28 0.00 -1.51 0.00 0.00 54.79 51.39 2wqg n ASP 4 Cb 0.52 -0.18 0.72 0.00 2.34 0.00 0.00 41.12 44.52 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 1.57 0.00 -0.44 -0.67 0.05 -1.95 0.19 116.97 115.72 2wqg h TYR 5 Ca -0.26 0.00 0.13 0.00 0.05 0.00 0.00 58.73 58.65 2wqg h TYR 5 Cb 1.50 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 39.23 2wqg h TYR 5 CO 0.24 0.00 0.52 1.03 -1.05 0.00 0.00 178.16 178.90 2wqg h SER 6 N 0.00 0.00 0.24 3.88 0.87 -1.91 0.40 113.55 117.04 2wqg h SER 6 Ca 0.40 0.00 -0.25 0.00 -1.23 0.00 0.00 61.79 60.71 2wqg h SER 6 Cb 1.76 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 63.67 2wqg h SER 6 CO -0.00 0.00 -2.00 -1.54 -0.53 0.00 0.00 176.83 172.76 2wqg n SER 7 N -3.58 0.33 -3.35 6.23 3.41 0.67 -4.96 113.62 112.38 2wqg n SER 7 Ca 0.08 0.15 0.00 0.00 -0.26 0.00 0.00 58.87 58.84 2wqg n SER 7 Cb 0.70 0.81 0.00 0.00 -0.26 0.00 0.00 64.21 65.46 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 -2.74 0.00 -4.60 1.04 4.32 0.14 -5.03 117.00 110.13 2wqg n LEU 8 Ca -0.20 0.00 -0.26 0.00 -0.02 0.00 0.00 56.01 55.53 2wqg n LEU 8 Cb 0.97 0.00 -0.09 0.00 -1.62 0.00 0.00 43.42 42.68 2wqg n LEU 8 CO 0.44 -1.00 -0.38 0.28 -1.22 0.00 0.00 177.39 175.50 2wqg s THR 9 N -0.47 3.31 0.48 -5.08 -1.32 -1.26 -5.00 115.64 106.29 2wqg s THR 9 Ca 0.00 -1.69 0.13 0.00 -1.21 0.00 0.00 61.69 58.92 2wqg s THR 9 Cb 0.00 -2.67 0.28 0.00 -1.51 0.00 0.00 72.50 68.59 2wqg s THR 9 CO 0.00 -0.17 2.11 -0.37 -2.21 0.00 0.00 174.62 173.98 2wqg h VAL 10 N 2.52 1.02 -0.20 5.08 -1.51 -1.96 0.26 116.25 121.47 2wqg h VAL 10 Ca -0.46 -0.07 -0.12 0.00 -1.23 0.00 0.00 66.70 64.82 2wqg h VAL 10 Cb 1.21 0.80 0.00 0.00 -2.13 0.00 0.00 31.29 31.17 2wqg h VAL 10 CO 0.56 0.04 -0.36 -0.37 -1.23 0.00 0.00 177.57 176.21 2wqg h VAL 11 N 0.21 1.33 -0.15 7.19 -1.51 -1.98 -1.96 116.25 119.37 2wqg h VAL 11 Ca 0.07 -1.58 -0.22 0.00 -1.23 0.00 0.00 66.70 63.74 2wqg h VAL 11 Cb 0.03 1.86 0.01 0.00 -2.13 0.00 0.00 31.29 31.06 2wqg h VAL 11 CO -0.01 0.49 -0.76 1.56 -1.23 0.00 0.00 177.57 177.61 2wqg h GLN 12 N 0.26 0.76 0.46 5.19 4.20 -1.83 -0.77 115.11 123.38 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 0.00 0.00 0.30 0.00 0.00 27.48 28.86 2wqg h GLN 12 CO 0.08 1.22 -0.23 -0.07 -0.67 0.00 0.00 178.83 179.16 2wqg h LEU 13 N 0.52 -0.54 -0.96 1.46 4.07 -0.52 -0.02 115.31 119.33 2wqg h LEU 13 Ca -0.05 0.02 -0.11 0.00 0.08 0.00 0.00 57.88 57.83 2wqg h LEU 13 Cb 1.38 0.14 -0.02 0.00 1.08 0.00 0.00 40.66 43.25 2wqg h LEU 13 CO 0.15 -0.38 -0.51 0.07 -1.08 0.00 0.00 178.44 176.69 2wqg h LYS 14 N -0.63 0.00 0.09 1.13 2.10 -1.43 -0.62 116.57 117.22 2wqg h LYS 14 Ca -0.06 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.58 2wqg h LYS 14 Cb 0.48 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.82 2wqg h LYS 14 CO 0.10 0.51 -0.04 0.22 -2.00 0.00 0.00 179.45 178.24 2wqg h ASP 15 N 0.00 -0.10 0.13 7.07 -0.00 -0.91 -1.60 116.42 121.01 2wqg h ASP 15 Ca -0.01 -0.23 -0.07 0.00 -0.00 0.00 0.00 57.03 56.72 2wqg h ASP 15 Cb 0.92 0.03 -0.01 0.00 -0.00 0.00 0.00 39.33 40.27 2wqg h ASP 15 CO 0.07 0.18 -0.26 0.17 -0.00 0.00 0.00 179.24 179.40 2wqg h LEU 16 N -0.39 0.21 0.41 2.28 -0.00 -0.98 -1.71 115.31 115.14 2wqg h LEU 16 Ca -0.01 -0.06 -0.01 0.00 -0.00 0.00 0.00 57.88 57.80 2wqg h LEU 16 Cb 0.33 -0.06 -0.02 0.00 -0.00 0.00 0.00 40.66 40.91 2wqg h LEU 16 CO 0.02 0.48 -0.36 -0.07 -0.00 0.00 0.00 178.44 178.51 2wqg h LEU 17 N 0.20 -0.95 -1.68 0.17 3.38 -0.78 0.41 115.31 116.06 2wqg h LEU 17 Ca 0.03 0.08 -0.04 0.00 0.09 0.00 0.00 57.88 58.04 2wqg h LEU 17 Cb 0.57 0.31 -0.01 0.00 0.09 0.00 0.00 40.66 41.62 2wqg h LEU 17 CO 0.04 -0.52 -0.18 0.00 0.09 0.00 0.00 178.44 177.88 2wqg h THR 18 N -0.78 1.07 -0.24 0.22 1.03 -1.21 -0.52 112.91 112.48 2wqg h THR 18 Ca -0.04 -0.61 -0.01 0.00 -0.01 0.00 0.00 66.41 65.74 2wqg h THR 18 Cb 0.68 1.34 -0.01 0.00 -1.07 0.00 0.00 68.15 69.08 2wqg h THR 18 CO -0.03 0.17 0.09 0.50 -0.01 0.00 0.00 175.52 176.24 2wqg h LYS 19 N 0.00 0.34 0.00 0.00 1.63 -0.25 -1.09 116.57 117.20 2wqg h LYS 19 Ca -0.00 -0.04 0.00 0.00 -0.85 0.00 0.00 60.65 59.76 2wqg h LYS 19 Cb 0.32 -0.07 0.00 0.00 -0.60 0.00 0.00 32.23 31.88 2wqg h LYS 19 CO 0.02 0.29 -0.40 0.54 -3.45 0.00 0.00 179.45 176.46 2wqg n ARG 20 N -4.43 0.20 -0.14 1.90 1.74 0.01 -4.93 116.66 111.02 2wqg n ARG 20 Ca 0.01 0.09 0.00 0.00 -0.77 0.00 0.00 57.85 57.18 2wqg n ARG 20 Cb 0.13 -1.66 0.00 0.00 -1.02 0.00 0.00 32.46 29.91 2wqg n ARG 20 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 2wqg n ASN 21 N -1.97 0.00 0.00 0.55 4.13 -0.41 -4.97 115.26 112.59 2wqg n ASN 21 Ca 0.05 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.31 2wqg n ASN 21 Cb 0.41 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.65 2wqg n ASN 21 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 2wqg n LEU 22 N 0.00 0.00 0.00 3.41 4.77 -1.13 -4.96 117.00 119.09 2wqg n LEU 22 Ca 0.00 0.52 0.00 0.00 -0.03 0.00 0.00 56.01 56.50 2wqg n LEU 22 Cb 0.00 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.07 2wqg n LEU 22 CO 0.00 -0.02 0.00 -1.20 -1.33 0.00 0.00 177.39 174.84 2wqg n SER 23 N -0.56 0.00 0.00 -1.43 7.64 -1.24 -4.97 113.62 113.05 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 -1.11 0.08 -0.77 0.44 0.24 -1.26 -4.43 118.33 111.52 2wqg n VAL 24 Ca 0.00 -0.23 -0.28 0.00 -2.04 0.00 0.00 64.34 61.79 2wqg n VAL 24 Cb 0.00 1.45 -0.04 0.00 -1.47 0.00 0.00 33.84 33.78 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 -0.04 2.58 0.00 7.63 0.00 -1.26 -4.03 105.19 110.07 2wqg n GLY 25 Ca 0.00 -0.89 0.00 0.00 0.00 0.00 0.00 46.02 45.13 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 4.13 -0.70 0.00 -0.02 0.00 -1.26 -5.13 105.19 102.21 2wqg n GLY 26 Ca 0.41 0.38 0.00 0.00 0.00 0.00 0.00 46.02 46.81 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 -0.07 0.00 -0.06 0.99 -0.00 -1.26 -4.91 117.00 111.68 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 -0.08 0.00 -0.00 0.00 0.00 43.42 43.34 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 -0.67 1.96 3.64 -1.95 2.46 116.57 121.57 2wqg h LYS 28 Ca 0.00 0.03 0.07 0.00 -1.27 0.00 0.00 60.65 59.48 2wqg h LYS 28 Cb 0.00 0.10 -0.06 0.00 -0.41 0.00 0.00 32.23 31.86 2wqg h LYS 28 CO 0.00 -0.29 0.34 -0.97 -2.27 0.00 0.00 179.45 176.26 2wqg h ASN 29 N -0.46 0.47 0.29 4.20 -1.24 -1.96 0.27 115.58 117.15 2wqg h ASN 29 Ca 0.08 0.05 -0.05 0.00 0.71 0.00 0.00 56.30 57.08 2wqg h ASN 29 Cb 0.63 -0.04 -0.01 0.00 0.73 0.00 0.00 38.32 39.63 2wqg h ASN 29 CO -0.50 0.29 -0.24 -0.33 -1.29 0.00 0.00 177.43 175.36 2wqg h GLU 30 N 0.62 0.00 -0.22 6.67 4.39 -1.38 -1.90 114.58 122.75 2wqg h GLU 30 Ca 0.31 0.00 -0.20 0.00 0.34 0.00 0.00 59.36 59.82 2wqg h GLU 30 Cb 0.27 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 28.92 2wqg h GLU 30 CO -0.22 0.24 -0.63 -1.49 -1.16 0.00 0.00 179.01 175.75 2wqg h TRP 31 N 0.00 1.05 -0.71 4.33 6.55 0.73 -1.33 115.95 126.58 2wqg h TRP 31 Ca -0.00 -0.42 -0.03 0.00 0.95 0.00 0.00 58.89 59.39 2wqg h TRP 31 Cb 0.45 -0.18 -0.03 0.00 -0.86 0.00 0.00 29.16 28.54 2wqg h TRP 31 CO 0.00 1.24 0.34 0.28 -1.05 0.00 0.00 178.44 179.26 2wqg h VAL 32 N 0.56 1.23 0.09 1.49 2.07 -0.17 0.32 116.25 121.84 2wqg h VAL 32 Ca -0.02 -0.65 -0.00 0.00 0.82 0.00 0.00 66.70 66.85 2wqg h VAL 32 Cb 1.25 0.35 0.00 0.00 -1.52 0.00 0.00 31.29 31.38 2wqg h VAL 32 CO 0.14 0.27 -0.04 1.56 0.02 0.00 0.00 177.57 179.51 2wqg h GLN 33 N 0.99 -0.11 -0.44 1.57 7.50 -1.29 0.33 115.11 123.64 2wqg h GLN 33 Ca 0.24 0.01 -0.07 0.00 0.50 0.00 0.00 58.65 59.34 2wqg h GLN 33 Cb 0.11 0.03 -0.02 0.00 0.05 0.00 0.00 27.48 27.65 2wqg h GLN 33 CO -0.03 0.18 0.00 0.07 -1.50 0.00 0.00 178.83 177.56 2wqg h ARG 34 N -0.41 0.72 0.11 1.46 0.11 -1.13 -0.32 114.38 114.91 2wqg h ARG 34 Ca -0.01 -0.18 -0.01 0.00 0.10 0.00 0.00 59.98 59.88 2wqg h ARG 34 Cb 0.35 -0.09 0.00 0.00 1.11 0.00 0.00 29.97 31.34 2wqg h ARG 34 CO 0.02 0.73 -0.05 -0.07 0.10 0.00 0.00 179.97 180.69 2wqg h LEU 35 N 0.67 -0.13 -1.28 0.08 3.38 -0.29 0.74 115.31 118.48 2wqg h LEU 35 Ca 0.14 -0.38 0.11 0.00 0.09 0.00 0.00 57.88 57.83 2wqg h LEU 35 Cb 0.41 0.03 -0.06 0.00 0.09 0.00 0.00 40.66 41.13 2wqg h LEU 35 CO 0.02 0.35 0.55 0.40 0.09 0.00 0.00 178.44 179.85 2wqg h ILE 36 N -0.64 0.91 -0.04 1.22 2.04 -0.25 0.34 117.51 121.08 2wqg h ILE 36 Ca -0.02 -0.26 -0.14 0.00 1.00 0.00 0.00 64.86 65.44 2wqg h ILE 36 Cb 0.50 0.09 -0.01 0.00 -0.74 0.00 0.00 36.82 36.65 2wqg h ILE 36 CO 0.02 0.14 -0.61 0.11 0.00 0.00 0.00 178.15 177.81 2wqg h LYS 37 N 0.76 0.16 -0.27 2.37 1.79 -0.97 -0.65 116.57 119.77 2wqg h LYS 37 Ca 0.41 -0.11 -0.03 0.00 -2.18 0.00 0.00 60.65 58.73 2wqg h LYS 37 Cb 0.53 0.02 -0.01 0.00 -1.58 0.00 0.00 32.23 31.19 2wqg h LYS 37 CO -0.17 0.72 0.05 0.22 -1.08 0.00 0.00 179.45 179.19 2wqg h ASP 38 N 0.12 0.42 0.66 0.86 1.82 0.21 -0.67 116.42 119.83 2wqg h ASP 38 Ca -0.01 -0.25 -0.12 0.00 -0.39 0.00 0.00 57.03 56.26 2wqg h ASP 38 Cb 1.11 -0.11 -0.02 0.00 0.68 0.00 0.00 39.33 40.99 2wqg h ASP 38 CO 0.09 0.56 -0.59 0.44 -1.61 0.00 0.00 179.24 178.13 2wqg h ASP 39 N 0.25 0.00 1.34 2.28 5.19 -0.94 -2.90 116.42 121.64 2wqg h ASP 39 Ca 0.08 0.00 -0.02 0.00 -0.62 0.00 0.00 57.03 56.47 2wqg h ASP 39 Cb 0.32 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 39.83 2wqg h ASP 39 CO 0.00 0.59 -0.12 -0.33 -3.12 0.00 0.00 179.24 176.27 2wqg h GLU 40 N 0.00 0.00 0.00 3.56 5.08 -0.86 -3.14 114.58 119.22 2wqg h GLU 40 Ca -0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 2wqg h GLU 40 Cb 1.08 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.33 2wqg h GLU 40 CO 0.08 0.12 0.31 0.93 -1.00 0.00 0.00 179.01 179.44 2wqg h GLU 41 N 0.00 0.00 -0.00 2.33 4.39 -0.90 0.19 114.58 120.58 2wqg h GLU 41 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2wqg h GLU 41 Cb 0.81 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.46 2wqg h GLU 41 CO 0.01 0.00 -0.22 0.45 -1.16 0.00 0.00 179.01 178.09 2wqg n SER 42 N -2.59 0.33 -2.49 1.42 2.88 -1.19 -5.00 113.62 106.98 2wqg n SER 42 Ca -0.02 -0.67 -0.17 0.00 -1.33 0.00 0.00 58.87 56.69 2wqg n SER 42 Cb 0.35 0.92 -0.01 0.00 -0.75 0.00 0.00 64.21 64.73 2wqg n SER 42 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 2wqg n LYS 43 N -1.01 -2.20 -3.61 -1.46 4.81 0.65 -4.89 118.16 110.45 2wqg n LYS 43 Ca 0.01 0.79 0.00 0.00 -0.87 0.00 0.00 58.31 58.25 2wqg n LYS 43 Cb 0.08 -5.45 -0.01 0.00 0.02 0.00 0.00 35.03 29.68 2wqg n LYS 43 CO 0.00 0.00 0.00 0.20 1.17 0.00 0.00 177.40 178.77 2wqg s GLY 44 N -2.11 -0.39 0.20 3.14 0.00 -1.26 -5.03 107.32 101.87 2wqg s GLY 44 Ca 0.03 0.90 -0.10 0.00 0.00 0.00 0.00 44.72 45.55 2wqg s GLY 44 CO 0.04 0.21 1.80 0.83 0.00 0.00 0.00 173.10 175.98 2wqg h GLU 45 N 2.00 1.00 -5.30 2.90 5.08 -1.90 -3.32 114.58 115.04 2wqg h GLU 45 Ca -0.26 -0.13 -0.59 0.00 -1.00 0.00 0.00 59.36 57.38 2wqg h GLU 45 Cb 1.19 -0.19 -0.05 0.00 0.50 0.00 0.00 28.75 30.21 2wqg h GLU 45 CO 0.27 0.77 2.08 -1.13 -1.00 0.00 0.00 179.01 180.00 2wqg n SER 46 N -4.46 4.02 -4.86 1.42 3.41 -1.26 -4.93 113.62 106.96 2wqg n SER 46 Ca 0.06 -2.82 -0.27 0.00 -0.26 0.00 0.00 58.87 55.57 2wqg n SER 46 Cb 0.11 -1.67 -0.05 0.00 -0.26 0.00 0.00 64.21 62.35 2wqg n SER 46 CO 0.00 0.00 0.00 -1.83 -0.16 0.00 0.00 175.04 173.05 2wqg s GLU 47 N 4.72 3.14 -0.49 4.33 -1.05 -1.25 -4.98 118.70 123.12 2wqg s GLU 47 Ca 0.57 -0.70 -0.26 0.00 -0.15 0.00 0.00 54.97 54.43 2wqg s GLU 47 Cb 0.06 -2.81 -0.06 0.00 -0.44 0.00 0.00 34.13 30.87 2wqg s GLU 47 CO 0.07 0.53 2.34 0.14 0.95 0.00 0.00 175.26 179.29 2wqg s VAL 48 N -1.66 3.04 -0.60 1.83 -7.23 -1.26 -4.90 120.40 109.63 2wqg s VAL 48 Ca 0.32 0.03 -0.02 0.00 -1.81 0.00 0.00 61.98 60.50 2wqg s VAL 48 Cb -0.11 -3.11 0.15 0.00 0.56 0.00 0.00 36.38 33.87 2wqg s VAL 48 CO 0.25 -0.11 0.40 -0.55 -0.31 0.00 0.00 175.10 174.78 2wqg s SER 49 N 11.65 5.07 -1.09 4.85 0.15 -1.26 -4.99 113.70 128.08 2wqg s SER 49 Ca 0.94 -2.85 -0.07 0.00 0.70 0.00 0.00 55.95 54.67 2wqg s SER 49 Cb -0.17 -1.81 -0.08 0.00 -1.71 0.00 0.00 66.02 62.25 2wqg s SER 49 CO 0.26 -0.35 2.49 -0.81 1.20 0.00 0.00 173.24 176.02 2wqg n PRO 50 N 3.46 2.62 -0.36 5.44 -0.04 -1.26 -5.23 135.00 139.64 2wqg n PRO 50 Ca 0.07 -1.66 0.00 0.00 -0.04 0.00 0.00 63.50 61.87 2wqg n PRO 50 Cb 0.37 -2.52 0.00 0.00 -0.04 0.00 0.00 33.50 31.31 2wqg n PRO 50 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50