#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 3.10 -4.85 1.61 7.64 -1.26 -5.02 113.62 114.84 2wqg n SER 2 Ca 0.00 -0.05 -0.34 0.00 1.01 0.00 0.00 58.87 59.49 2wqg n SER 2 Cb 0.00 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.14 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 -2.22 3.54 -0.28 -0.43 0.00 -1.26 -4.99 121.76 116.12 2wqg s ALA 3 Ca -0.13 -0.15 0.21 0.00 0.00 0.00 0.00 51.96 51.89 2wqg s ALA 3 Cb 0.04 -2.53 0.49 0.00 0.00 0.00 0.00 23.12 21.11 2wqg s ALA 3 CO 0.27 0.46 1.21 -0.25 0.00 0.00 0.00 175.76 177.45 2wqg n ASP 4 N 0.40 0.83 -0.02 0.00 10.43 -1.26 -4.91 116.55 122.01 2wqg n ASP 4 Ca -0.03 -2.08 0.22 0.00 2.57 0.00 0.00 54.79 55.47 2wqg n ASP 4 Cb 0.52 -0.20 0.70 0.00 1.84 0.00 0.00 41.12 43.99 2wqg n ASP 4 CO 0.00 0.00 0.00 1.88 -1.07 0.00 0.00 177.20 178.01 2wqg h TYR 5 N 2.23 0.00 -0.58 1.24 -1.99 -1.94 -0.00 116.97 115.92 2wqg h TYR 5 Ca -0.21 0.00 0.17 0.00 2.00 0.00 0.00 58.73 60.68 2wqg h TYR 5 Cb 1.28 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 39.98 2wqg h TYR 5 CO 0.36 0.00 0.60 0.66 -0.00 0.00 0.00 178.16 179.78 2wqg h SER 6 N 0.00 0.00 0.25 3.88 4.64 -1.91 0.40 113.55 120.82 2wqg h SER 6 Ca 0.28 0.00 -0.26 0.00 -0.47 0.00 0.00 61.79 61.33 2wqg h SER 6 Cb 1.13 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 63.17 2wqg h SER 6 CO -0.00 0.00 -1.99 -1.20 -0.87 0.00 0.00 176.83 172.77 2wqg n SER 7 N -3.68 0.37 -3.50 4.97 7.64 -0.02 -4.95 113.62 114.43 2wqg n SER 7 Ca 0.11 0.17 0.00 0.00 1.01 0.00 0.00 58.87 60.16 2wqg n SER 7 Cb 0.82 0.73 0.00 0.00 -1.01 0.00 0.00 64.21 64.74 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 -2.78 0.00 -4.57 -3.43 4.32 0.14 -5.04 117.00 105.65 2wqg n LEU 8 Ca -0.21 0.00 -0.24 0.00 -0.02 0.00 0.00 56.01 55.54 2wqg n LEU 8 Cb 0.99 0.00 -0.09 0.00 -1.62 0.00 0.00 43.42 42.71 2wqg n LEU 8 CO 0.44 -0.89 -0.40 0.28 -1.22 0.00 0.00 177.39 175.60 2wqg s THR 9 N -0.38 3.05 0.42 -5.08 -1.32 -1.26 -5.01 115.64 106.06 2wqg s THR 9 Ca 0.00 -2.03 0.10 0.00 -1.21 0.00 0.00 61.69 58.55 2wqg s THR 9 Cb 0.00 -2.59 0.21 0.00 -1.51 0.00 0.00 72.50 68.60 2wqg s THR 9 CO 0.00 -0.32 2.00 -0.37 -2.21 0.00 0.00 174.62 173.71 2wqg h VAL 10 N 2.22 1.12 -0.24 5.08 -1.51 -1.96 0.18 116.25 121.14 2wqg h VAL 10 Ca -0.43 -0.47 -0.08 0.00 -1.23 0.00 0.00 66.70 64.49 2wqg h VAL 10 Cb 1.24 0.97 -0.01 0.00 -2.13 0.00 0.00 31.29 31.36 2wqg h VAL 10 CO 0.59 0.16 -0.14 -0.37 -1.23 0.00 0.00 177.57 176.57 2wqg h VAL 11 N 0.29 1.31 -0.15 7.19 -1.51 -1.99 -1.93 116.25 119.45 2wqg h VAL 11 Ca 0.07 -1.24 -0.21 0.00 -1.23 0.00 0.00 66.70 64.09 2wqg h VAL 11 Cb 0.18 1.59 0.01 0.00 -2.13 0.00 0.00 31.29 30.94 2wqg h VAL 11 CO 0.00 0.39 -0.71 1.56 -1.23 0.00 0.00 177.57 177.58 2wqg h GLN 12 N 0.24 0.75 0.29 5.19 7.50 -1.90 -0.97 115.11 126.20 2wqg h GLN 12 Ca 0.05 -0.60 0.00 0.00 0.50 0.00 0.00 58.65 58.60 2wqg h GLN 12 Cb 0.66 0.12 -0.03 0.00 0.05 0.00 0.00 27.48 28.29 2wqg h GLN 12 CO 0.04 1.21 -0.33 -0.07 -1.50 0.00 0.00 178.83 178.19 2wqg h LEU 13 N 0.47 -0.90 -0.78 1.46 4.07 -0.66 0.22 115.31 119.18 2wqg h LEU 13 Ca -0.05 0.08 -0.13 0.00 0.08 0.00 0.00 57.88 57.87 2wqg h LEU 13 Cb 1.34 0.31 -0.01 0.00 1.08 0.00 0.00 40.66 43.38 2wqg h LEU 13 CO 0.15 -0.45 -0.51 0.07 -1.08 0.00 0.00 178.44 176.61 2wqg h LYS 14 N -0.66 0.25 -0.04 1.13 2.10 -1.43 -0.27 116.57 117.65 2wqg h LYS 14 Ca -0.01 -0.14 -0.00 0.00 -2.00 0.00 0.00 60.65 58.50 2wqg h LYS 14 Cb 0.62 0.01 -0.00 0.00 -0.90 0.00 0.00 32.23 31.96 2wqg h LYS 14 CO -0.09 0.70 0.02 0.22 -2.00 0.00 0.00 179.45 178.30 2wqg h ASP 15 N 0.20 0.05 0.27 7.07 3.58 -0.83 -1.39 116.42 125.37 2wqg h ASP 15 Ca 0.01 -0.14 -0.09 0.00 0.42 0.00 0.00 57.03 57.23 2wqg h ASP 15 Cb 0.97 -0.01 -0.01 0.00 1.72 0.00 0.00 39.33 42.00 2wqg h ASP 15 CO 0.08 0.18 -0.37 0.17 -2.88 0.00 0.00 179.24 176.42 2wqg h LEU 16 N -0.08 0.14 0.51 2.28 -0.00 -0.54 -2.02 115.31 115.60 2wqg h LEU 16 Ca 0.01 -0.05 -0.02 0.00 -0.00 0.00 0.00 57.88 57.82 2wqg h LEU 16 Cb 0.14 -0.04 -0.00 0.00 -0.00 0.00 0.00 40.66 40.76 2wqg h LEU 16 CO -0.00 0.50 -0.31 -0.07 -0.00 0.00 0.00 178.44 178.56 2wqg h LEU 17 N 0.12 -0.77 -1.15 0.17 3.38 -0.48 0.77 115.31 117.35 2wqg h LEU 17 Ca 0.01 0.04 -0.06 0.00 0.09 0.00 0.00 57.88 57.97 2wqg h LEU 17 Cb 0.71 0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.66 2wqg h LEU 17 CO 0.05 -0.49 -0.03 0.00 0.09 0.00 0.00 178.44 178.07 2wqg h THR 18 N -0.77 1.21 0.00 0.22 1.03 -1.24 -0.64 112.91 112.71 2wqg h THR 18 Ca -0.06 -0.87 0.00 0.00 -0.01 0.00 0.00 66.41 65.47 2wqg h THR 18 Cb 0.63 0.98 0.00 0.00 -1.07 0.00 0.00 68.15 68.69 2wqg h THR 18 CO 0.06 0.30 0.00 0.29 -0.01 0.00 0.00 175.52 176.16 2wqg n LYS 19 N -4.25 0.18 0.03 0.00 4.01 -0.76 -2.80 118.16 114.57 2wqg n LYS 19 Ca 0.01 0.27 0.12 0.00 -0.51 0.00 0.00 58.31 58.21 2wqg n LYS 19 Cb 0.27 -1.77 0.18 0.00 -0.51 0.00 0.00 35.03 33.20 2wqg n LYS 19 CO 0.00 0.00 0.00 -2.13 -1.11 0.00 0.00 177.40 174.16 2wqg n ARG 20 N -2.09 0.19 0.00 1.97 0.63 0.26 -4.94 116.66 112.69 2wqg n ARG 20 Ca 0.04 0.04 0.00 0.00 -0.92 0.00 0.00 57.85 57.01 2wqg n ARG 20 Cb 0.32 -1.61 0.00 0.00 0.45 0.00 0.00 32.46 31.62 2wqg n ARG 20 CO 0.00 0.00 0.00 -1.71 -2.51 0.00 0.00 177.63 173.41 2wqg n ASN 21 N -1.88 0.00 -1.64 6.15 2.85 -1.08 -5.06 115.26 114.61 2wqg n ASN 21 Ca 0.04 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.51 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 -0.93 -5.00 117.00 117.04 2wqg n LEU 22 Ca 0.00 0.00 -0.17 0.00 -0.03 0.00 0.00 56.01 55.81 2wqg n LEU 22 Cb 0.00 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.03 2wqg n LEU 22 CO 0.00 0.00 -0.10 -1.20 -1.33 0.00 0.00 177.39 174.76 2wqg n SER 23 N 0.00 0.21 0.00 -1.43 7.64 -1.26 -4.29 113.62 114.49 2wqg n SER 23 Ca 0.00 -2.65 0.00 0.00 1.01 0.00 0.00 58.87 57.23 2wqg n SER 23 Cb 0.00 1.05 0.00 0.00 -1.01 0.00 0.00 64.21 64.25 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 -0.58 0.12 -0.70 0.44 0.24 -1.26 -4.59 118.33 112.01 2wqg n VAL 24 Ca 0.01 -0.43 -0.23 0.00 -2.04 0.00 0.00 64.34 61.65 2wqg n VAL 24 Cb 0.46 1.15 -0.02 0.00 -1.47 0.00 0.00 33.84 33.96 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 -0.06 2.77 0.00 7.63 0.00 -1.26 -4.05 105.19 110.22 2wqg n GLY 25 Ca 0.00 -0.80 0.00 0.00 0.00 0.00 0.00 46.02 45.22 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 3.95 -0.40 0.00 -0.02 0.00 -1.26 -5.14 105.19 102.32 2wqg n GLY 26 Ca 0.39 0.29 0.00 0.00 0.00 0.00 0.00 46.02 46.70 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 -0.01 0.99 -0.00 -1.26 -4.92 117.00 111.80 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 -0.52 -0.63 1.96 3.64 -1.95 2.63 116.57 121.70 2wqg h LYS 28 Ca 0.00 0.04 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 31.88 2wqg h LYS 28 CO 0.00 -0.35 0.30 -2.95 -2.27 0.00 0.00 179.45 174.19 2wqg h ASN 29 N -0.54 0.40 0.31 4.20 -1.07 -1.96 0.27 115.58 117.19 2wqg h ASN 29 Ca 0.05 0.05 -0.05 0.00 0.07 0.00 0.00 56.30 56.42 2wqg h ASN 29 Cb 0.66 -0.02 -0.01 0.00 -2.07 0.00 0.00 38.32 36.89 2wqg h ASN 29 CO -0.43 0.25 -0.25 -0.33 0.07 0.00 0.00 177.43 176.74 2wqg h GLU 30 N 0.55 0.00 -0.22 4.14 4.39 -1.53 -2.02 114.58 119.89 2wqg h GLU 30 Ca 0.30 0.00 -0.20 0.00 0.34 0.00 0.00 59.36 59.80 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 -0.24 0.25 -0.66 -1.49 -1.16 0.00 0.00 179.01 175.72 2wqg h TRP 31 N 0.00 1.04 -0.35 4.33 6.55 0.77 -1.66 115.95 126.63 2wqg h TRP 31 Ca -0.00 -0.41 -0.02 0.00 0.95 0.00 0.00 58.89 59.41 2wqg h TRP 31 Cb 0.47 -0.18 -0.02 0.00 -0.86 0.00 0.00 29.16 28.58 2wqg h TRP 31 CO 0.00 1.24 0.15 0.28 -1.05 0.00 0.00 178.44 179.05 2wqg h VAL 32 N 0.58 1.18 -0.37 1.49 2.07 -0.24 0.85 116.25 121.81 2wqg h VAL 32 Ca -0.02 -0.55 -0.02 0.00 0.82 0.00 0.00 66.70 66.93 2wqg h VAL 32 Cb 1.27 0.89 -0.02 0.00 -1.52 0.00 0.00 31.29 31.91 2wqg h VAL 32 CO 0.14 0.20 0.14 1.56 0.02 0.00 0.00 177.57 179.63 2wqg h GLN 33 N 0.42 0.56 -0.49 1.57 1.08 -1.35 0.29 115.11 117.20 2wqg h GLN 33 Ca 0.12 -0.11 -0.13 0.00 -1.45 0.00 0.00 58.65 57.08 2wqg h GLN 33 Cb 0.17 -0.09 -0.01 0.00 -0.05 0.00 0.00 27.48 27.50 2wqg h GLN 33 CO -0.01 0.55 -0.20 0.07 -0.95 0.00 0.00 178.83 178.29 2wqg h ARG 34 N 0.46 1.00 0.13 1.46 0.11 -1.19 -0.74 114.38 115.61 2wqg h ARG 34 Ca 0.12 -0.41 -0.01 0.00 0.10 0.00 0.00 59.98 59.78 2wqg h ARG 34 Cb 0.20 -0.04 0.00 0.00 1.11 0.00 0.00 29.97 31.25 2wqg h ARG 34 CO -0.01 1.09 -0.06 -0.07 0.10 0.00 0.00 179.97 181.02 2wqg h LEU 35 N 0.86 -0.15 -1.24 0.08 3.38 -0.69 0.15 115.31 117.70 2wqg h LEU 35 Ca 0.12 -0.29 0.12 0.00 0.09 0.00 0.00 57.88 57.92 2wqg h LEU 35 Cb 0.77 0.04 -0.07 0.00 0.09 0.00 0.00 40.66 41.49 2wqg h LEU 35 CO 0.06 0.22 0.57 0.40 0.09 0.00 0.00 178.44 179.79 2wqg h ILE 36 N -0.55 0.89 -0.04 1.22 2.04 -0.42 0.38 117.51 121.03 2wqg h ILE 36 Ca -0.02 -0.27 -0.14 0.00 1.00 0.00 0.00 64.86 65.43 2wqg h ILE 36 Cb 0.43 0.04 -0.01 0.00 -0.74 0.00 0.00 36.82 36.54 2wqg h ILE 36 CO 0.03 0.14 -0.63 0.50 0.00 0.00 0.00 178.15 178.19 2wqg h LYS 37 N 0.78 0.14 -0.18 2.37 3.64 -0.97 -0.43 116.57 121.93 2wqg h LYS 37 Ca 0.44 -0.10 -0.08 0.00 -1.27 0.00 0.00 60.65 59.63 2wqg h LYS 37 Cb 0.58 0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 32.42 2wqg h LYS 37 CO -0.20 0.72 -0.22 0.22 -2.27 0.00 0.00 179.45 177.70 2wqg h ASP 38 N 0.10 0.50 0.68 4.20 1.82 0.25 -1.10 116.42 122.87 2wqg h ASP 38 Ca -0.01 -0.50 -0.12 0.00 -0.39 0.00 0.00 57.03 56.01 2wqg h ASP 38 Cb 1.13 -0.14 -0.02 0.00 0.68 0.00 0.00 39.33 40.99 2wqg h ASP 38 CO 0.09 0.90 -0.55 -0.78 -1.61 0.00 0.00 179.24 177.29 2wqg h ASP 39 N 0.11 0.00 1.69 2.28 -0.00 -0.49 -2.90 116.42 117.11 2wqg h ASP 39 Ca 0.02 0.00 -0.03 0.00 -0.00 0.00 0.00 57.03 57.02 2wqg h ASP 39 Cb 0.78 0.00 -0.00 0.00 -0.00 0.00 0.00 39.33 40.11 2wqg h ASP 39 CO 0.05 0.55 -0.16 -0.33 -0.00 0.00 0.00 179.24 179.36 2wqg h GLU 40 N 0.00 0.00 0.00 0.28 5.08 -1.01 -3.19 114.58 115.74 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 1.04 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.29 2wqg h GLU 40 CO 0.07 0.16 0.23 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 5.08 -0.98 0.27 114.58 121.28 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 1.05 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.30 2wqg h GLU 41 CO 0.02 0.00 -0.02 0.43 -1.00 0.00 0.00 179.01 178.44 2wqg n SER 42 N -2.60 0.42 -2.50 1.42 7.64 -1.21 -4.92 113.62 111.86 2wqg n SER 42 Ca -0.02 -0.71 -0.19 0.00 1.01 0.00 0.00 58.87 58.97 2wqg n SER 42 Cb 0.27 0.62 -0.00 0.00 -1.01 0.00 0.00 64.21 64.09 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 -0.62 -2.20 0.00 1.43 4.81 0.08 -3.82 118.16 117.85 2wqg n LYS 43 Ca 0.00 0.87 0.00 0.00 -0.87 0.00 0.00 58.31 58.31 2wqg n LYS 43 Cb 0.01 -5.53 0.00 0.00 0.02 0.00 0.00 35.03 29.53 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 -1.01 1.08 3.72 3.14 0.00 -1.25 -5.03 105.19 105.85 2wqg n GLY 44 Ca -0.20 -0.74 -0.35 0.00 0.00 0.00 0.00 46.02 44.74 2wqg n GLY 44 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2wqg s GLU 45 N 0.00 2.09 0.84 1.61 8.01 -1.25 -4.97 118.70 125.02 2wqg s GLU 45 Ca 0.00 1.87 -0.10 0.00 0.01 0.00 0.00 54.97 56.74 2wqg s GLU 45 Cb 0.00 -1.81 0.10 0.00 -4.31 0.00 0.00 34.13 28.10 2wqg s GLU 45 CO 0.00 -1.90 1.11 0.45 0.01 0.00 0.00 175.26 174.93 2wqg s SER 46 N -1.86 3.82 0.00 -0.19 0.15 -1.26 -4.75 113.70 109.61 2wqg s SER 46 Ca 0.77 1.91 0.00 0.00 0.70 0.00 0.00 55.95 59.32 2wqg s SER 46 Cb -0.32 -2.50 0.00 0.00 -1.71 0.00 0.00 66.02 61.49 2wqg s SER 46 CO 0.45 -2.49 0.00 -0.62 1.20 0.00 0.00 173.24 171.79 2wqg n GLU 47 N -3.82 0.00 -0.84 5.44 -0.58 -1.26 -4.96 120.64 114.62 2wqg n GLU 47 Ca 0.10 0.00 0.01 0.00 -0.42 0.00 0.00 57.16 56.85 2wqg n GLU 47 Cb 0.53 0.00 0.18 0.00 -0.57 0.00 0.00 31.44 31.58 2wqg n GLU 47 CO 0.00 0.00 0.00 1.33 -0.48 0.00 0.00 177.13 177.98 2wqg n VAL 48 N -1.91 2.23 -3.65 2.62 0.24 -1.26 -4.99 118.33 111.61 2wqg n VAL 48 Ca 0.00 -3.38 -0.06 0.00 -2.04 0.00 0.00 64.34 58.86 2wqg n VAL 48 Cb 0.00 -0.37 -0.07 0.00 -1.47 0.00 0.00 33.84 31.94 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 -3.28 -0.90 0.58 -1.34 0.01 -1.26 -5.03 113.70 102.48 2wqg s SER 49 Ca 0.40 1.42 0.29 0.00 1.31 0.00 0.00 55.95 59.37 2wqg s SER 49 Cb 0.38 1.55 1.49 0.00 0.21 0.00 0.00 66.02 69.65 2wqg s SER 49 CO -0.05 -0.23 1.93 -0.65 0.41 0.00 0.00 173.24 174.65 2wqg h PRO 50 N 7.35 0.00 -0.02 12.44 0.11 -2.01 -3.46 132.00 146.40 2wqg h PRO 50 Ca -0.27 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.84 2wqg h PRO 50 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 2wqg h PRO 50 CO 0.16 0.00 0.00 1.04 -0.21 0.00 0.00 178.00 178.99