#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 2.00 -3.83 1.61 2.88 -1.26 -4.82 113.62 110.20 2wqg n SER 2 Ca 0.00 -0.02 -0.12 0.00 -1.33 0.00 0.00 58.87 57.40 2wqg n SER 2 Cb 0.00 -0.54 -0.10 0.00 -0.75 0.00 0.00 64.21 62.82 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 -2.52 -0.48 -0.21 -1.46 0.00 -1.26 -4.89 121.76 110.93 2wqg s ALA 3 Ca -0.33 0.16 0.19 0.00 0.00 0.00 0.00 51.96 51.99 2wqg s ALA 3 Cb 0.09 -0.02 0.43 0.00 0.00 0.00 0.00 23.12 23.61 2wqg s ALA 3 CO 0.62 -0.19 1.22 -0.25 0.00 0.00 0.00 175.76 177.16 2wqg n ASP 4 N 1.82 0.51 -0.01 0.00 8.00 -1.26 -4.92 116.55 120.69 2wqg n ASP 4 Ca -0.20 -2.06 0.23 0.00 0.71 0.00 0.00 54.79 53.47 2wqg n ASP 4 Cb 0.56 -0.10 0.72 0.00 -0.02 0.00 0.00 41.12 42.29 2wqg n ASP 4 CO 0.00 0.00 0.00 1.88 -0.39 0.00 0.00 177.20 178.69 2wqg h TYR 5 N 1.70 0.00 -0.39 1.24 -1.99 -1.96 0.67 116.97 116.24 2wqg h TYR 5 Ca -0.27 0.00 0.11 0.00 2.00 0.00 0.00 58.73 60.57 2wqg h TYR 5 Cb 1.41 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 40.12 2wqg h TYR 5 CO 0.24 0.00 0.51 1.03 -0.00 0.00 0.00 178.16 179.95 2wqg h SER 6 N 0.00 0.00 0.13 3.88 0.87 -1.91 0.39 113.55 116.91 2wqg h SER 6 Ca 0.28 0.00 -0.24 0.00 -1.23 0.00 0.00 61.79 60.60 2wqg h SER 6 Cb 1.31 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 63.23 2wqg h SER 6 CO -0.00 0.00 -2.11 -0.24 -0.53 0.00 0.00 176.83 173.95 2wqg n SER 7 N -3.48 0.17 -3.51 6.23 2.88 0.22 -4.97 113.62 111.16 2wqg n SER 7 Ca 0.07 0.08 0.00 0.00 -1.33 0.00 0.00 58.87 57.69 2wqg n SER 7 Cb 0.68 1.08 0.00 0.00 -0.75 0.00 0.00 64.21 65.22 2wqg n SER 7 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 2wqg n LEU 8 N -2.66 0.00 -4.62 2.46 4.32 0.14 -5.04 117.00 111.60 2wqg n LEU 8 Ca -0.21 0.00 -0.23 0.00 -0.02 0.00 0.00 56.01 55.55 2wqg n LEU 8 Cb 0.95 0.00 -0.08 0.00 -1.62 0.00 0.00 43.42 42.68 2wqg n LEU 8 CO 0.44 -0.86 -0.34 0.28 -1.22 0.00 0.00 177.39 175.69 2wqg s THR 9 N -0.34 3.22 0.39 -5.08 -1.32 -1.26 -5.02 115.64 106.22 2wqg s THR 9 Ca 0.00 -1.99 0.09 0.00 -1.21 0.00 0.00 61.69 58.58 2wqg s THR 9 Cb 0.00 -2.76 0.17 0.00 -1.51 0.00 0.00 72.50 68.40 2wqg s THR 9 CO 0.00 -0.36 1.92 -0.37 -2.21 0.00 0.00 174.62 173.60 2wqg h VAL 10 N 1.93 1.17 -0.24 5.08 -1.51 -1.96 0.08 116.25 120.80 2wqg h VAL 10 Ca -0.43 -0.74 -0.08 0.00 -1.23 0.00 0.00 66.70 64.22 2wqg h VAL 10 Cb 1.25 1.15 -0.01 0.00 -2.13 0.00 0.00 31.29 31.56 2wqg h VAL 10 CO 0.61 0.23 -0.16 -0.37 -1.23 0.00 0.00 177.57 176.65 2wqg h VAL 11 N 0.26 1.31 -0.14 7.19 -1.51 -1.98 -1.93 116.25 119.44 2wqg h VAL 11 Ca 0.06 -1.28 -0.19 0.00 -1.23 0.00 0.00 66.70 64.06 2wqg h VAL 11 Cb 0.34 1.61 0.01 0.00 -2.13 0.00 0.00 31.29 31.12 2wqg h VAL 11 CO 0.02 0.40 -0.64 1.56 -1.23 0.00 0.00 177.57 177.67 2wqg h GLN 12 N 0.25 0.69 0.28 5.19 7.50 -1.94 -0.65 115.11 126.43 2wqg h GLN 12 Ca 0.05 -0.55 0.00 0.00 0.50 0.00 0.00 58.65 58.65 2wqg h GLN 12 Cb 0.69 0.11 -0.03 0.00 0.05 0.00 0.00 27.48 28.30 2wqg h GLN 12 CO 0.04 1.17 -0.33 -0.07 -1.50 0.00 0.00 178.83 178.14 2wqg h LEU 13 N 0.37 -0.91 -0.99 1.46 4.07 -1.00 0.19 115.31 118.51 2wqg h LEU 13 Ca -0.04 0.09 -0.11 0.00 0.08 0.00 0.00 57.88 57.90 2wqg h LEU 13 Cb 1.28 0.32 -0.02 0.00 1.08 0.00 0.00 40.66 43.32 2wqg h LEU 13 CO 0.13 -0.46 -0.50 0.07 -1.08 0.00 0.00 178.44 176.61 2wqg h LYS 14 N -0.66 0.00 0.08 1.13 2.10 -1.43 -0.53 116.57 117.27 2wqg h LYS 14 Ca -0.01 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.64 2wqg h LYS 14 Cb 0.62 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.95 2wqg h LYS 14 CO -0.09 0.50 -0.04 0.22 -2.00 0.00 0.00 179.45 178.04 2wqg h ASP 15 N 0.00 -0.09 0.25 7.07 3.58 -0.63 -1.39 116.42 125.21 2wqg h ASP 15 Ca -0.01 -0.20 -0.08 0.00 0.42 0.00 0.00 57.03 57.17 2wqg h ASP 15 Cb 0.90 0.02 -0.01 0.00 1.72 0.00 0.00 39.33 41.96 2wqg h ASP 15 CO 0.07 0.15 -0.33 0.17 -2.88 0.00 0.00 179.24 176.41 2wqg h LEU 16 N -0.33 0.12 0.54 2.28 -0.00 -0.59 -1.73 115.31 115.59 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 0.28 -0.03 -0.00 0.00 -0.00 0.00 0.00 40.66 40.91 2wqg h LEU 16 CO 0.02 0.44 -0.32 -0.07 -0.00 0.00 0.00 178.44 178.51 2wqg h LEU 17 N 0.10 -0.79 -1.25 0.17 3.38 -0.71 0.55 115.31 116.76 2wqg h LEU 17 Ca 0.01 0.04 -0.07 0.00 0.09 0.00 0.00 57.88 57.96 2wqg h LEU 17 Cb 0.63 0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.60 2wqg h LEU 17 CO 0.05 -0.50 -0.19 0.00 0.09 0.00 0.00 178.44 177.88 2wqg h THR 18 N -0.81 1.22 0.00 0.22 1.03 -1.21 -0.57 112.91 112.80 2wqg h THR 18 Ca -0.07 -0.99 0.00 0.00 -0.01 0.00 0.00 66.41 65.35 2wqg h THR 18 Cb 0.65 1.31 0.00 0.00 -1.07 0.00 0.00 68.15 69.04 2wqg h THR 18 CO 0.08 0.30 0.00 0.11 -0.01 0.00 0.00 175.52 176.00 2wqg h LYS 19 N 0.25 0.00 0.00 0.00 1.57 -0.84 -2.65 116.57 114.90 2wqg h LYS 19 Ca 0.05 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 2wqg h LYS 19 Cb 0.49 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.80 2wqg h LYS 19 CO 0.03 0.00 -0.64 0.54 -0.57 0.00 0.00 179.45 178.81 2wqg n ARG 20 N -2.78 0.24 -0.14 3.15 3.00 0.19 -4.94 116.66 115.37 2wqg n ARG 20 Ca 0.02 0.06 0.00 0.00 -0.01 0.00 0.00 57.85 57.92 2wqg n ARG 20 Cb 0.32 -1.64 0.00 0.00 0.00 0.00 0.00 32.46 31.14 2wqg n ARG 20 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.63 177.72 2wqg n ASN 21 N -1.98 0.00 0.00 0.55 4.13 -1.00 -4.99 115.26 111.97 2wqg n ASN 21 Ca 0.04 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.30 2wqg n ASN 21 Cb 0.42 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.66 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 -1.09 -5.01 117.00 119.09 2wqg n LEU 22 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 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 0.00 0.00 0.00 -1.43 7.64 -1.23 -4.92 113.62 113.68 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 0.29 0.09 -0.75 0.44 0.24 -1.26 -4.45 118.33 112.94 2wqg n VAL 24 Ca 0.00 -0.30 -0.29 0.00 -2.04 0.00 0.00 64.34 61.72 2wqg n VAL 24 Cb 0.00 1.36 -0.04 0.00 -1.47 0.00 0.00 33.84 33.69 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 -0.05 2.44 0.00 7.63 0.00 -1.26 -4.04 105.19 109.92 2wqg n GLY 25 Ca 0.00 -0.88 0.00 0.00 0.00 0.00 0.00 46.02 45.14 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 4.20 -0.72 0.00 -0.02 0.00 -1.26 -5.13 105.19 102.26 2wqg n GLY 26 Ca 0.40 0.42 0.00 0.00 0.00 0.00 0.00 46.02 46.84 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 0.00 0.00 -0.02 0.99 -0.00 -1.26 -4.92 117.00 111.79 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 0.54 0.50 -0.00 0.00 0.00 177.39 178.43 2wqg h LYS 28 N 0.00 -0.51 -0.69 1.96 3.64 -1.95 2.47 116.57 121.49 2wqg h LYS 28 Ca 0.00 0.03 0.08 0.00 -1.27 0.00 0.00 60.65 59.49 2wqg h LYS 28 Cb 0.00 0.12 -0.06 0.00 -0.41 0.00 0.00 32.23 31.87 2wqg h LYS 28 CO 0.00 -0.34 0.36 -2.95 -2.27 0.00 0.00 179.45 174.25 2wqg h ASN 29 N -0.53 0.50 0.34 4.20 -1.07 -1.96 0.25 115.58 117.31 2wqg h ASN 29 Ca 0.06 0.05 -0.06 0.00 0.07 0.00 0.00 56.30 56.42 2wqg h ASN 29 Cb 0.66 -0.04 -0.01 0.00 -2.07 0.00 0.00 38.32 36.85 2wqg h ASN 29 CO -0.45 0.30 -0.29 -0.33 0.07 0.00 0.00 177.43 176.74 2wqg h GLU 30 N 0.63 0.00 -0.06 4.14 4.39 -1.49 -1.75 114.58 120.45 2wqg h GLU 30 Ca 0.33 0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.99 2wqg h GLU 30 Cb 0.29 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.94 2wqg h GLU 30 CO -0.23 0.29 -0.12 -1.49 -1.16 0.00 0.00 179.01 176.29 2wqg h TRP 31 N 0.00 0.24 -0.51 4.33 6.55 0.73 -0.54 115.95 126.74 2wqg h TRP 31 Ca -0.00 -0.09 -0.02 0.00 0.95 0.00 0.00 58.89 59.73 2wqg h TRP 31 Cb 0.53 -0.04 -0.02 0.00 -0.86 0.00 0.00 29.16 28.77 2wqg h TRP 31 CO 0.00 0.72 0.21 -0.24 -1.05 0.00 0.00 178.44 178.08 2wqg h VAL 32 N -0.31 1.18 0.06 1.49 3.04 -0.62 0.22 116.25 121.31 2wqg h VAL 32 Ca 0.00 -0.56 -0.00 0.00 -1.01 0.00 0.00 66.70 65.13 2wqg h VAL 32 Cb 0.71 0.57 0.00 0.00 -2.01 0.00 0.00 31.29 30.56 2wqg h VAL 32 CO 0.03 0.22 -0.03 1.56 -1.01 0.00 0.00 177.57 178.34 2wqg h GLN 33 N 0.72 -0.08 -0.59 4.17 7.50 -1.26 0.40 115.11 125.97 2wqg h GLN 33 Ca 0.18 0.01 -0.06 0.00 0.50 0.00 0.00 58.65 59.27 2wqg h GLN 33 Cb 0.13 0.02 -0.02 0.00 0.05 0.00 0.00 27.48 27.65 2wqg h GLN 33 CO -0.02 0.26 0.12 0.07 -1.50 0.00 0.00 178.83 177.76 2wqg h ARG 34 N -0.42 0.97 0.14 1.46 0.11 -0.82 -1.12 114.38 114.69 2wqg h ARG 34 Ca -0.01 -0.25 -0.01 0.00 0.10 0.00 0.00 59.98 59.82 2wqg h ARG 34 Cb 0.37 -0.12 0.00 0.00 1.11 0.00 0.00 29.97 31.34 2wqg h ARG 34 CO 0.01 0.90 -0.07 -0.07 0.10 0.00 0.00 179.97 180.85 2wqg h LEU 35 N 0.87 -0.16 -1.23 0.08 3.38 -0.57 0.26 115.31 117.94 2wqg h LEU 35 Ca 0.18 -0.11 0.13 0.00 0.09 0.00 0.00 57.88 58.18 2wqg h LEU 35 Cb 0.39 0.04 -0.07 0.00 0.09 0.00 0.00 40.66 41.11 2wqg h LEU 35 CO 0.01 0.01 0.58 0.40 0.09 0.00 0.00 178.44 179.52 2wqg h ILE 36 N -0.33 0.87 -0.04 1.22 2.04 -0.82 0.41 117.51 120.86 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 0.26 0.04 -0.01 0.00 -0.74 0.00 0.00 36.82 36.36 2wqg h ILE 36 CO 0.03 0.14 -0.61 0.50 0.00 0.00 0.00 178.15 178.21 2wqg h LYS 37 N 0.77 0.15 -0.22 2.37 3.64 -0.78 -0.85 116.57 121.65 2wqg h LYS 37 Ca 0.45 -0.11 -0.03 0.00 -1.27 0.00 0.00 60.65 59.69 2wqg h LYS 37 Cb 0.62 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.45 2wqg h LYS 37 CO -0.21 0.71 0.01 0.22 -2.27 0.00 0.00 179.45 177.91 2wqg h ASP 38 N 0.11 0.38 0.40 4.20 3.58 0.33 0.40 116.42 125.82 2wqg h ASP 38 Ca -0.01 -0.30 -0.12 0.00 0.42 0.00 0.00 57.03 57.03 2wqg h ASP 38 Cb 1.10 -0.10 -0.01 0.00 1.72 0.00 0.00 39.33 42.04 2wqg h ASP 38 CO 0.09 0.58 -0.50 -0.78 -2.88 0.00 0.00 179.24 175.75 2wqg h ASP 39 N 0.16 0.13 1.74 2.28 3.58 -0.76 -2.83 116.42 120.71 2wqg h ASP 39 Ca 0.06 -0.06 -0.04 0.00 0.42 0.00 0.00 57.03 57.42 2wqg h ASP 39 Cb 0.39 -0.04 -0.01 0.00 1.72 0.00 0.00 39.33 41.39 2wqg h ASP 39 CO 0.01 0.61 -0.27 -0.33 -2.88 0.00 0.00 179.24 176.38 2wqg h GLU 40 N 0.09 0.00 0.00 0.28 4.39 -0.95 -3.27 114.58 115.12 2wqg h GLU 40 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2wqg h GLU 40 Cb 0.92 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.57 2wqg h GLU 40 CO 0.07 0.16 0.30 0.93 -1.16 0.00 0.00 179.01 179.31 2wqg h GLU 41 N 0.00 0.00 0.00 2.33 4.39 0.06 0.34 114.58 121.71 2wqg h GLU 41 Ca -0.01 0.00 -0.11 0.00 0.34 0.00 0.00 59.36 59.59 2wqg h GLU 41 Cb 1.13 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.76 2wqg h GLU 41 CO 0.02 0.00 -2.00 -1.13 -1.16 0.00 0.00 179.01 174.74 2wqg n SER 42 N -2.58 0.11 -2.54 1.42 3.41 -1.23 -4.97 113.62 107.24 2wqg n SER 42 Ca -0.02 0.05 -0.07 0.00 -0.26 0.00 0.00 58.87 58.57 2wqg n SER 42 Cb 0.34 1.53 -0.00 0.00 -0.26 0.00 0.00 64.21 65.81 2wqg n SER 42 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 2wqg n LYS 43 N -2.45 -2.66 -2.16 4.33 0.00 0.12 -4.89 118.16 110.45 2wqg n LYS 43 Ca -0.12 0.27 -0.32 0.00 0.00 0.00 0.00 58.31 58.14 2wqg n LYS 43 Cb 0.74 -4.81 -0.01 0.00 0.00 0.00 0.00 35.03 30.94 2wqg n LYS 43 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.40 177.60 2wqg s GLY 44 N -2.06 1.95 -0.24 3.14 0.00 -1.26 -5.02 107.32 103.83 2wqg s GLY 44 Ca 0.03 0.14 -0.16 0.00 0.00 0.00 0.00 44.72 44.73 2wqg s GLY 44 CO 0.03 0.43 -0.21 1.18 0.00 0.00 0.00 173.10 174.53 2wqg n GLU 45 N -2.03 0.57 -1.11 2.90 1.02 -1.26 -4.40 120.64 116.34 2wqg n GLU 45 Ca 0.07 0.35 -0.18 0.00 -0.02 0.00 0.00 57.16 57.37 2wqg n GLU 45 Cb 0.54 -1.56 0.20 0.00 -0.02 0.00 0.00 31.44 30.60 2wqg n GLU 45 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 2wqg n SER 46 N -4.34 3.97 -0.04 1.62 3.41 -1.26 -4.19 113.62 112.80 2wqg n SER 46 Ca -0.42 -3.41 -0.05 0.00 -0.26 0.00 0.00 58.87 54.72 2wqg n SER 46 Cb 0.76 -0.80 -0.04 0.00 -0.26 0.00 0.00 64.21 63.87 2wqg n SER 46 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2wqg n GLU 47 N -0.80 1.05 -4.48 4.33 4.71 -1.26 -5.01 120.64 119.18 2wqg n GLU 47 Ca 0.52 0.03 -0.23 0.00 -0.01 0.00 0.00 57.16 57.47 2wqg n GLU 47 Cb 1.54 -1.17 -0.16 0.00 -1.01 0.00 0.00 31.44 30.63 2wqg n GLU 47 CO 0.00 0.00 0.00 0.14 0.09 0.00 0.00 177.13 177.36 2wqg s VAL 48 N -2.17 0.97 0.04 2.62 -7.23 -1.26 -4.95 120.40 108.42 2wqg s VAL 48 Ca -0.09 -0.39 0.00 0.00 -1.81 0.00 0.00 61.98 59.68 2wqg s VAL 48 Cb 0.03 -0.90 0.00 0.00 0.56 0.00 0.00 36.38 36.07 2wqg s VAL 48 CO 0.23 0.32 0.00 -1.20 -0.31 0.00 0.00 175.10 174.13 2wqg n SER 49 N 3.79 -0.39 0.24 4.85 7.64 -1.26 -4.85 113.62 123.64 2wqg n SER 49 Ca -0.23 0.44 0.10 0.00 1.01 0.00 0.00 58.87 60.19 2wqg n SER 49 Cb 0.52 0.73 0.62 0.00 -1.01 0.00 0.00 64.21 65.06 2wqg n SER 49 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 2wqg h PRO 50 N 0.00 0.00 0.00 1.43 0.13 -1.92 -3.46 132.00 128.18 2wqg h PRO 50 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 2wqg h PRO 50 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 2wqg h PRO 50 CO 0.00 0.17 0.00 0.94 -0.23 0.00 0.00 178.00 178.88