#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 0.00 -4.91 1.61 2.88 -1.26 -5.08 113.62 106.86 2wqg n SER 2 Ca 0.00 0.00 -0.31 0.00 -1.33 0.00 0.00 58.87 57.23 2wqg n SER 2 Cb 0.00 0.11 -0.04 0.00 -0.75 0.00 0.00 64.21 63.53 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 -1.42 3.91 -0.17 -1.46 0.00 -1.26 -5.00 121.76 116.36 2wqg s ALA 3 Ca 0.00 -0.72 0.15 0.00 0.00 0.00 0.00 51.96 51.39 2wqg s ALA 3 Cb 0.00 -1.96 0.34 0.00 0.00 0.00 0.00 23.12 21.50 2wqg s ALA 3 CO 0.00 0.76 1.23 -3.47 0.00 0.00 0.00 175.76 174.28 2wqg n ASP 4 N 0.21 -0.12 0.07 0.00 4.64 -1.26 -4.93 116.55 115.16 2wqg n ASP 4 Ca -0.04 -2.07 0.21 0.00 -1.38 0.00 0.00 54.79 51.50 2wqg n ASP 4 Cb 0.51 0.11 0.74 0.00 -1.04 0.00 0.00 41.12 41.44 2wqg n ASP 4 CO 0.00 0.00 0.00 1.88 -0.82 0.00 0.00 177.20 178.26 2wqg h TYR 5 N 1.16 0.00 -0.34 -0.67 -1.99 -1.94 0.30 116.97 113.48 2wqg h TYR 5 Ca -0.36 0.00 0.10 0.00 2.00 0.00 0.00 58.73 60.47 2wqg h TYR 5 Cb 1.43 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 40.15 2wqg h TYR 5 CO 0.09 0.00 0.50 1.03 -0.00 0.00 0.00 178.16 179.78 2wqg h SER 6 N 0.00 0.00 0.01 3.88 0.87 -1.91 0.35 113.55 116.74 2wqg h SER 6 Ca 0.21 0.00 -0.19 0.00 -1.23 0.00 0.00 61.79 60.58 2wqg h SER 6 Cb 1.13 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 63.06 2wqg h SER 6 CO -0.00 0.00 -2.20 -1.20 -0.53 0.00 0.00 176.83 172.90 2wqg n SER 7 N -3.43 0.01 -3.32 6.23 7.64 0.09 -4.98 113.62 115.86 2wqg n SER 7 Ca 0.06 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.94 2wqg n SER 7 Cb 0.64 1.47 0.00 0.00 -1.01 0.00 0.00 64.21 65.31 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 -2.52 0.00 -4.61 -3.43 4.32 0.12 -5.03 117.00 105.85 2wqg n LEU 8 Ca -0.19 0.00 -0.26 0.00 -0.02 0.00 0.00 56.01 55.54 2wqg n LEU 8 Cb 0.88 0.00 -0.08 0.00 -1.62 0.00 0.00 43.42 42.59 2wqg n LEU 8 CO 0.44 -1.06 -0.37 0.28 -1.22 0.00 0.00 177.39 175.46 2wqg s THR 9 N -0.53 3.42 0.49 -5.08 -1.32 -1.26 -5.00 115.64 106.36 2wqg s THR 9 Ca 0.00 -1.59 0.14 0.00 -1.21 0.00 0.00 61.69 59.03 2wqg s THR 9 Cb 0.00 -2.72 0.28 0.00 -1.51 0.00 0.00 72.50 68.55 2wqg s THR 9 CO 0.00 -0.13 2.12 -0.37 -2.21 0.00 0.00 174.62 174.02 2wqg h VAL 10 N 2.56 1.01 -0.20 5.08 -1.51 -1.96 0.26 116.25 121.50 2wqg h VAL 10 Ca -0.47 -0.05 -0.12 0.00 -1.23 0.00 0.00 66.70 64.83 2wqg h VAL 10 Cb 1.21 0.85 0.00 0.00 -2.13 0.00 0.00 31.29 31.22 2wqg h VAL 10 CO 0.56 0.03 -0.35 -0.37 -1.23 0.00 0.00 177.57 176.21 2wqg h VAL 11 N 0.15 1.33 -0.14 7.19 -1.51 -1.98 -1.93 116.25 119.35 2wqg h VAL 11 Ca 0.06 -1.57 -0.22 0.00 -1.23 0.00 0.00 66.70 63.74 2wqg h VAL 11 Cb 0.04 1.85 0.01 0.00 -2.13 0.00 0.00 31.29 31.05 2wqg h VAL 11 CO -0.01 0.49 -0.77 1.56 -1.23 0.00 0.00 177.57 177.60 2wqg h GLN 12 N 0.27 0.73 0.32 5.19 4.20 -1.83 -0.91 115.11 123.08 2wqg h GLN 12 Ca 0.01 -0.60 -0.02 0.00 0.06 0.00 0.00 58.65 58.11 2wqg h GLN 12 Cb 0.94 0.13 0.00 0.00 0.30 0.00 0.00 27.48 28.85 2wqg h GLN 12 CO 0.08 1.21 -0.15 -0.07 -0.67 0.00 0.00 178.83 179.22 2wqg h LEU 13 N 0.50 -0.37 -0.74 1.46 4.07 -0.53 0.01 115.31 119.71 2wqg h LEU 13 Ca -0.05 -0.02 -0.13 0.00 0.08 0.00 0.00 57.88 57.76 2wqg h LEU 13 Cb 1.40 0.09 -0.01 0.00 1.08 0.00 0.00 40.66 43.22 2wqg h LEU 13 CO 0.16 -0.23 -0.56 0.07 -1.08 0.00 0.00 178.44 176.80 2wqg h LYS 14 N -0.48 0.22 0.10 1.13 2.10 -1.42 -0.23 116.57 117.99 2wqg h LYS 14 Ca -0.04 -0.14 -0.00 0.00 -2.00 0.00 0.00 60.65 58.46 2wqg h LYS 14 Cb 0.36 0.02 0.00 0.00 -0.90 0.00 0.00 32.23 31.71 2wqg h LYS 14 CO 0.07 0.72 -0.05 0.22 -2.00 0.00 0.00 179.45 178.41 2wqg h ASP 15 N 0.17 -0.11 0.21 7.07 3.58 -1.02 -1.18 116.42 125.15 2wqg h ASP 15 Ca -0.00 -0.16 -0.07 0.00 0.42 0.00 0.00 57.03 57.21 2wqg h ASP 15 Cb 1.03 0.03 -0.01 0.00 1.72 0.00 0.00 39.33 42.10 2wqg h ASP 15 CO 0.08 0.10 -0.29 0.17 -2.88 0.00 0.00 179.24 176.42 2wqg h LEU 16 N -0.32 0.14 0.52 2.28 -0.00 -0.99 -1.94 115.31 115.01 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 0.27 -0.04 -0.00 0.00 -0.00 0.00 0.00 40.66 40.88 2wqg h LEU 16 CO 0.02 0.43 -0.31 -0.07 -0.00 0.00 0.00 178.44 178.51 2wqg h LEU 17 N 0.12 -0.78 -1.34 0.17 3.38 -0.57 0.60 115.31 116.88 2wqg h LEU 17 Ca 0.02 0.04 -0.05 0.00 0.09 0.00 0.00 57.88 57.98 2wqg h LEU 17 Cb 0.58 0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.55 2wqg h LEU 17 CO 0.04 -0.50 -0.14 0.00 0.09 0.00 0.00 178.44 177.93 2wqg h THR 18 N -0.79 1.19 0.00 0.22 1.03 -1.16 -0.18 112.91 113.22 2wqg h THR 18 Ca -0.06 -0.85 0.00 0.00 -0.01 0.00 0.00 66.41 65.49 2wqg h THR 18 Cb 0.64 1.22 0.00 0.00 -1.07 0.00 0.00 68.15 68.95 2wqg h THR 18 CO 0.07 0.26 0.00 0.11 -0.01 0.00 0.00 175.52 175.95 2wqg h LYS 19 N 0.25 0.00 0.00 0.00 1.57 -0.82 -2.82 116.57 114.75 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 0.41 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.72 2wqg h LYS 19 CO 0.02 0.00 -0.49 -2.13 -0.57 0.00 0.00 179.45 176.29 2wqg n ARG 20 N -2.71 0.23 -0.13 3.15 0.63 0.20 -4.94 116.66 113.10 2wqg n ARG 20 Ca 0.02 0.09 0.00 0.00 -0.92 0.00 0.00 57.85 57.04 2wqg n ARG 20 Cb 0.34 -1.67 0.00 0.00 0.45 0.00 0.00 32.46 31.58 2wqg n ARG 20 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 2wqg n ASN 21 N -2.02 0.00 0.00 6.15 4.13 -1.06 -5.00 115.26 117.47 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 -1.13 -5.02 117.00 119.03 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 -4.91 113.62 113.69 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 1.67 0.09 -0.74 0.44 0.24 -1.26 -4.42 118.33 114.35 2wqg n VAL 24 Ca 0.00 -0.29 -0.28 0.00 -2.04 0.00 0.00 64.34 61.74 2wqg n VAL 24 Cb 0.00 1.37 -0.04 0.00 -1.47 0.00 0.00 33.84 33.71 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 2.50 0.00 7.63 0.00 -1.26 -4.03 105.19 109.99 2wqg n GLY 25 Ca 0.00 -0.86 0.00 0.00 0.00 0.00 0.00 46.02 45.16 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 4.15 -0.71 0.00 -0.02 0.00 -1.26 -5.13 105.19 102.21 2wqg n GLY 26 Ca 0.40 0.40 0.00 0.00 0.00 0.00 0.00 46.02 46.82 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 -0.02 0.00 -0.03 0.99 -0.00 -1.26 -4.92 117.00 111.76 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 -0.49 -0.67 1.96 3.64 -1.95 2.37 116.57 121.42 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 0.11 -0.06 0.00 -0.41 0.00 0.00 32.23 31.87 2wqg h LYS 28 CO 0.00 -0.33 0.35 -2.95 -2.27 0.00 0.00 179.45 174.25 2wqg h ASN 29 N -0.51 0.48 0.32 4.20 -1.07 -1.96 0.24 115.58 117.28 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 0.65 -0.04 -0.01 0.00 -2.07 0.00 0.00 38.32 36.85 2wqg h ASN 29 CO -0.46 0.29 -0.27 -0.33 0.07 0.00 0.00 177.43 176.72 2wqg h GLU 30 N 0.62 0.00 0.01 4.14 4.39 -1.48 -1.74 114.58 120.52 2wqg h GLU 30 Ca 0.32 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 60.02 2wqg h GLU 30 Cb 0.28 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.93 2wqg h GLU 30 CO -0.23 0.27 -0.01 -1.49 -1.16 0.00 0.00 179.01 176.40 2wqg h TRP 31 N 0.00 -0.01 -0.58 4.33 6.55 0.70 -0.48 115.95 126.45 2wqg h TRP 31 Ca -0.00 -0.00 0.01 0.00 0.95 0.00 0.00 58.89 59.85 2wqg h TRP 31 Cb 0.51 0.00 -0.03 0.00 -0.86 0.00 0.00 29.16 28.79 2wqg h TRP 31 CO 0.00 0.55 0.39 -0.24 -1.05 0.00 0.00 178.44 178.09 2wqg h VAL 32 N -0.59 1.13 0.07 1.49 3.04 -0.62 0.22 116.25 120.99 2wqg h VAL 32 Ca -0.00 -0.26 -0.00 0.00 -1.01 0.00 0.00 66.70 65.42 2wqg h VAL 32 Cb 0.57 0.30 0.00 0.00 -2.01 0.00 0.00 31.29 30.15 2wqg h VAL 32 CO 0.00 0.14 -0.03 1.56 -1.01 0.00 0.00 177.57 178.23 2wqg h GLN 33 N 0.77 -0.08 -0.62 4.17 1.08 -1.27 0.79 115.11 119.94 2wqg h GLN 33 Ca 0.22 0.01 -0.06 0.00 -1.45 0.00 0.00 58.65 57.37 2wqg h GLN 33 Cb -0.05 0.02 -0.03 0.00 -0.05 0.00 0.00 27.48 27.37 2wqg h GLN 33 CO -0.05 0.30 0.15 0.07 -0.95 0.00 0.00 178.83 178.35 2wqg h ARG 34 N -0.49 0.97 0.10 1.46 0.11 -0.71 -1.25 114.38 114.57 2wqg h ARG 34 Ca -0.01 -0.21 -0.00 0.00 0.10 0.00 0.00 59.98 59.85 2wqg h ARG 34 Cb 0.42 -0.14 0.00 0.00 1.11 0.00 0.00 29.97 31.37 2wqg h ARG 34 CO 0.01 0.86 -0.05 -0.07 0.10 0.00 0.00 179.97 180.83 2wqg h LEU 35 N 0.93 -0.11 -1.24 0.08 3.38 -0.56 0.22 115.31 118.01 2wqg h LEU 35 Ca 0.20 -0.30 0.14 0.00 0.09 0.00 0.00 57.88 58.02 2wqg h LEU 35 Cb 0.33 0.03 -0.07 0.00 0.09 0.00 0.00 40.66 41.03 2wqg h LEU 35 CO -0.00 0.25 0.59 0.40 0.09 0.00 0.00 178.44 179.76 2wqg h ILE 36 N -0.48 0.83 -0.04 1.22 2.04 -0.72 0.45 117.51 120.82 2wqg h ILE 36 Ca -0.01 -0.25 -0.14 0.00 1.00 0.00 0.00 64.86 65.45 2wqg h ILE 36 Cb 0.40 0.04 -0.01 0.00 -0.74 0.00 0.00 36.82 36.50 2wqg h ILE 36 CO 0.02 0.13 -0.63 0.11 0.00 0.00 0.00 178.15 177.79 2wqg h LYS 37 N 0.73 0.15 -0.24 2.37 1.57 -1.07 0.12 116.57 120.20 2wqg h LYS 37 Ca 0.46 -0.11 -0.12 0.00 -1.87 0.00 0.00 60.65 59.02 2wqg h LYS 37 Cb 0.71 0.02 -0.00 0.00 0.08 0.00 0.00 32.23 33.04 2wqg h LYS 37 CO -0.22 0.73 -0.31 0.22 -0.57 0.00 0.00 179.45 179.29 2wqg h ASP 38 N 0.11 0.70 1.40 0.86 1.82 0.18 -2.55 116.42 118.93 2wqg h ASP 38 Ca -0.01 -0.50 -0.10 0.00 -0.39 0.00 0.00 57.03 56.03 2wqg h ASP 38 Cb 1.13 -0.20 -0.01 0.00 0.68 0.00 0.00 39.33 40.93 2wqg h ASP 38 CO 0.09 1.06 -0.48 0.44 -1.61 0.00 0.00 179.24 178.74 2wqg h ASP 39 N 0.35 0.00 1.33 2.28 3.45 -0.42 -3.16 116.42 120.24 2wqg h ASP 39 Ca 0.03 0.00 -0.03 0.00 0.43 0.00 0.00 57.03 57.46 2wqg h ASP 39 Cb 0.89 0.00 -0.00 0.00 -0.56 0.00 0.00 39.33 39.66 2wqg h ASP 39 CO 0.07 0.48 -0.13 -0.33 -1.57 0.00 0.00 179.24 177.77 2wqg h GLU 40 N 0.00 0.00 0.00 3.56 5.08 -0.71 -2.87 114.58 119.64 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 1.31 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.56 2wqg h GLU 40 CO 0.06 0.13 0.27 0.93 -1.00 0.00 0.00 179.01 179.40 2wqg h GLU 41 N 0.00 0.00 0.00 2.33 4.39 -1.42 -1.20 114.58 118.68 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 0.82 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.47 2wqg h GLU 41 CO 0.02 0.00 0.00 0.43 -1.16 0.00 0.00 179.01 178.30 2wqg n SER 42 N -2.70 0.40 -2.44 1.42 7.64 -1.17 -4.03 113.62 112.75 2wqg n SER 42 Ca -0.02 -0.79 -0.15 0.00 1.01 0.00 0.00 58.87 58.92 2wqg n SER 42 Cb 0.32 0.16 -0.01 0.00 -1.01 0.00 0.00 64.21 63.67 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 -0.16 -2.07 0.00 1.43 4.81 -0.46 -4.15 118.16 117.56 2wqg n LYS 43 Ca 0.00 0.74 0.00 0.00 -0.87 0.00 0.00 58.31 58.18 2wqg n LYS 43 Cb 0.08 -5.37 0.00 0.00 0.02 0.00 0.00 35.03 29.76 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 -0.89 0.72 0.15 3.14 0.00 -1.23 -4.96 105.19 102.13 2wqg n GLY 44 Ca -0.18 -0.35 0.00 0.00 0.00 0.00 0.00 46.02 45.49 2wqg n GLY 44 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2wqg n GLU 45 N 0.00 0.00 -2.17 1.61 1.02 -1.26 -5.01 120.64 114.83 2wqg n GLU 45 Ca 0.00 0.00 -0.37 0.00 -0.02 0.00 0.00 57.16 56.77 2wqg n GLU 45 Cb 0.00 -0.21 0.01 0.00 -0.02 0.00 0.00 31.44 31.21 2wqg n GLU 45 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 2wqg s SER 46 N -2.67 5.81 0.80 1.62 0.15 -1.26 -4.87 113.70 113.28 2wqg s SER 46 Ca 0.00 2.34 -0.12 0.00 0.70 0.00 0.00 55.95 58.87 2wqg s SER 46 Cb 0.00 -2.60 0.07 0.00 -1.71 0.00 0.00 66.02 61.78 2wqg s SER 46 CO 0.00 -1.17 1.12 -1.61 1.20 0.00 0.00 173.24 172.79 2wqg s GLU 47 N -2.97 2.08 0.07 5.44 2.02 -1.26 -4.47 118.70 119.62 2wqg s GLU 47 Ca 0.69 0.41 -0.31 0.00 0.02 0.00 0.00 54.97 55.78 2wqg s GLU 47 Cb -0.29 -1.94 -0.07 0.00 0.10 0.00 0.00 34.13 31.93 2wqg s GLU 47 CO 0.34 -1.57 1.48 0.14 0.02 0.00 0.00 175.26 175.67 2wqg s VAL 48 N -3.33 3.29 0.03 2.63 -7.23 -1.26 -4.57 120.40 109.96 2wqg s VAL 48 Ca 0.61 0.82 0.00 0.00 -1.81 0.00 0.00 61.98 61.60 2wqg s VAL 48 Cb -0.13 -3.53 0.00 0.00 0.56 0.00 0.00 36.38 33.29 2wqg s VAL 48 CO 0.52 0.03 0.00 -1.20 -0.31 0.00 0.00 175.10 174.14 2wqg n SER 49 N 4.79 -0.24 -4.58 4.85 7.64 -1.26 -5.06 113.62 119.77 2wqg n SER 49 Ca 0.13 0.45 -0.32 0.00 1.01 0.00 0.00 58.87 60.15 2wqg n SER 49 Cb 0.42 0.62 -0.05 0.00 -1.01 0.00 0.00 64.21 64.19 2wqg n SER 49 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 2wqg s PRO 50 N -1.85 2.84 0.00 1.43 0.04 -1.26 -5.33 135.00 130.87 2wqg s PRO 50 Ca 0.00 -1.35 0.00 0.00 0.04 0.00 0.00 61.00 59.69 2wqg s PRO 50 Cb 0.00 -5.31 0.00 0.00 0.04 0.00 0.00 34.50 29.23 2wqg s PRO 50 CO 0.00 -3.57 0.28 1.04 0.04 0.00 0.00 177.00 174.79