#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 0.79 -4.48 1.61 3.41 -1.26 -5.08 113.62 108.61 2wqg n SER 2 Ca 0.00 0.00 -0.29 0.00 -0.26 0.00 0.00 58.87 58.32 2wqg n SER 2 Cb 0.00 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 63.84 2wqg n SER 2 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2wqg s ALA 3 N -1.96 2.66 -0.17 7.33 0.00 -1.26 -5.02 121.76 123.34 2wqg s ALA 3 Ca 0.00 -1.35 0.14 0.00 0.00 0.00 0.00 51.96 50.75 2wqg s ALA 3 Cb 0.00 -0.64 0.33 0.00 0.00 0.00 0.00 23.12 22.81 2wqg s ALA 3 CO 0.00 0.59 1.24 -3.47 0.00 0.00 0.00 175.76 174.12 2wqg n ASP 4 N 0.84 -0.22 0.08 0.00 -0.08 -1.26 -4.93 116.55 110.97 2wqg n ASP 4 Ca -0.16 -2.08 0.21 0.00 -1.51 0.00 0.00 54.79 51.25 2wqg n ASP 4 Cb 0.53 0.15 0.74 0.00 2.34 0.00 0.00 41.12 44.87 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 1.10 0.00 -0.25 -0.67 0.05 -1.95 -0.29 116.97 114.96 2wqg h TYR 5 Ca -0.37 0.00 0.07 0.00 0.05 0.00 0.00 58.73 58.48 2wqg h TYR 5 Cb 1.43 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 39.16 2wqg h TYR 5 CO 0.07 0.00 0.50 1.03 -1.05 0.00 0.00 178.16 178.71 2wqg h SER 6 N 0.00 0.00 0.00 3.88 0.87 -1.91 0.31 113.55 116.69 2wqg h SER 6 Ca 0.20 0.00 -0.12 0.00 -1.23 0.00 0.00 61.79 60.64 2wqg h SER 6 Cb 1.14 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 63.08 2wqg h SER 6 CO -0.00 0.00 -1.97 -1.20 -0.53 0.00 0.00 176.83 173.13 2wqg n SER 7 N -3.24 0.78 -3.27 6.23 7.64 -0.12 -4.99 113.62 116.65 2wqg n SER 7 Ca 0.04 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.92 2wqg n SER 7 Cb 0.61 1.48 0.00 0.00 -1.01 0.00 0.00 64.21 65.30 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 -2.33 0.00 -4.66 -3.43 4.32 0.11 -5.03 117.00 105.97 2wqg n LEU 8 Ca -0.13 0.00 -0.26 0.00 -0.02 0.00 0.00 56.01 55.60 2wqg n LEU 8 Cb 0.70 0.00 -0.08 0.00 -1.62 0.00 0.00 43.42 42.43 2wqg n LEU 8 CO 0.38 -1.15 -0.33 0.28 -1.22 0.00 0.00 177.39 175.34 2wqg s THR 9 N -0.63 3.68 0.48 -5.08 -1.32 -1.26 -5.00 115.64 106.51 2wqg s THR 9 Ca 0.00 -1.50 0.12 0.00 -1.21 0.00 0.00 61.69 59.10 2wqg s THR 9 Cb 0.00 -2.87 0.27 0.00 -1.51 0.00 0.00 72.50 68.39 2wqg s THR 9 CO 0.00 -0.16 2.11 -0.37 -2.21 0.00 0.00 174.62 174.00 2wqg h VAL 10 N 2.36 1.04 -0.20 5.08 -1.51 -1.96 0.27 116.25 121.33 2wqg h VAL 10 Ca -0.47 -0.08 -0.11 0.00 -1.23 0.00 0.00 66.70 64.81 2wqg h VAL 10 Cb 1.21 0.81 -0.00 0.00 -2.13 0.00 0.00 31.29 31.18 2wqg h VAL 10 CO 0.58 0.04 -0.31 -0.37 -1.23 0.00 0.00 177.57 176.28 2wqg h VAL 11 N 0.22 1.33 -0.16 7.19 -1.51 -1.98 -1.91 116.25 119.42 2wqg h VAL 11 Ca 0.06 -1.53 -0.22 0.00 -1.23 0.00 0.00 66.70 63.78 2wqg h VAL 11 Cb -0.02 1.82 0.01 0.00 -2.13 0.00 0.00 31.29 30.97 2wqg h VAL 11 CO -0.01 0.47 -0.76 1.56 -1.23 0.00 0.00 177.57 177.60 2wqg h GLN 12 N 0.25 0.78 0.31 5.19 4.20 -1.84 -0.82 115.11 123.16 2wqg h GLN 12 Ca 0.02 -0.63 -0.01 0.00 0.06 0.00 0.00 58.65 58.09 2wqg h GLN 12 Cb 0.90 0.13 -0.00 0.00 0.30 0.00 0.00 27.48 28.80 2wqg h GLN 12 CO 0.07 1.24 -0.17 -0.07 -0.67 0.00 0.00 178.83 179.23 2wqg h LEU 13 N 0.54 -0.41 -0.79 1.46 4.07 -0.51 0.05 115.31 119.72 2wqg h LEU 13 Ca -0.05 0.02 -0.13 0.00 0.08 0.00 0.00 57.88 57.81 2wqg h LEU 13 Cb 1.39 0.12 -0.02 0.00 1.08 0.00 0.00 40.66 43.23 2wqg h LEU 13 CO 0.16 -0.28 -0.59 0.07 -1.08 0.00 0.00 178.44 176.72 2wqg h LYS 14 N -0.44 0.05 0.09 1.13 2.10 -1.41 -0.58 116.57 117.50 2wqg h LYS 14 Ca -0.04 -0.03 -0.00 0.00 -2.00 0.00 0.00 60.65 58.58 2wqg h LYS 14 Cb 0.36 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.69 2wqg h LYS 14 CO 0.05 0.63 -0.04 0.22 -2.00 0.00 0.00 179.45 178.30 2wqg h ASP 15 N 0.04 -0.10 -0.26 7.07 3.58 -0.92 -1.66 116.42 124.16 2wqg h ASP 15 Ca -0.01 -0.22 -0.08 0.00 0.42 0.00 0.00 57.03 57.14 2wqg h ASP 15 Cb 1.05 0.03 -0.02 0.00 1.72 0.00 0.00 39.33 42.11 2wqg h ASP 15 CO 0.08 0.17 -0.08 0.17 -2.88 0.00 0.00 179.24 176.70 2wqg h LEU 16 N -0.38 0.62 0.04 2.28 -0.00 -0.99 -1.88 115.31 114.99 2wqg h LEU 16 Ca -0.01 -0.16 0.03 0.00 -0.00 0.00 0.00 57.88 57.74 2wqg h LEU 16 Cb 0.32 -0.17 -0.05 0.00 -0.00 0.00 0.00 40.66 40.76 2wqg h LEU 16 CO 0.02 0.74 -0.37 -0.07 -0.00 0.00 0.00 178.44 178.76 2wqg h LEU 17 N 0.59 -1.11 -1.60 0.17 3.38 -0.81 0.44 115.31 116.37 2wqg h LEU 17 Ca 0.11 0.13 -0.04 0.00 0.09 0.00 0.00 57.88 58.17 2wqg h LEU 17 Cb 0.49 0.43 -0.01 0.00 0.09 0.00 0.00 40.66 41.67 2wqg h LEU 17 CO 0.03 -0.43 -0.21 0.00 0.09 0.00 0.00 178.44 177.91 2wqg h THR 18 N -0.55 1.06 0.00 0.22 1.03 -1.22 -0.55 112.91 112.89 2wqg h THR 18 Ca 0.05 -0.76 -0.00 0.00 -0.01 0.00 0.00 66.41 65.69 2wqg h THR 18 Cb 0.62 1.42 -0.00 0.00 -1.07 0.00 0.00 68.15 69.11 2wqg h THR 18 CO -0.27 0.21 -0.01 0.11 -0.01 0.00 0.00 175.52 175.55 2wqg h LYS 19 N 0.00 0.00 0.00 0.00 1.57 -0.01 -2.66 116.57 115.47 2wqg h LYS 19 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2wqg h LYS 19 Cb 0.40 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.71 2wqg h LYS 19 CO 0.03 0.01 -0.54 0.54 -0.57 0.00 0.00 179.45 178.92 2wqg n ARG 20 N -3.11 0.21 0.00 3.15 5.12 0.13 -4.93 116.66 117.23 2wqg n ARG 20 Ca 0.01 0.07 0.00 0.00 -1.93 0.00 0.00 57.85 55.99 2wqg n ARG 20 Cb 0.32 -1.64 0.00 0.00 -1.16 0.00 0.00 32.46 29.99 2wqg n ARG 20 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 2wqg n ASN 21 N -1.94 0.00 0.00 0.55 4.13 -1.00 -5.04 115.26 111.96 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 0.41 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 -1.14 -4.99 117.00 119.05 2wqg n LEU 22 Ca 0.00 0.00 -0.03 0.00 -0.03 0.00 0.00 56.01 55.95 2wqg n LEU 22 Cb 0.00 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.11 2wqg n LEU 22 CO 0.00 0.00 0.52 -1.20 -1.33 0.00 0.00 177.39 175.38 2wqg n SER 23 N 0.00 -1.34 0.00 -1.43 7.64 -1.26 -4.77 113.62 112.47 2wqg n SER 23 Ca 0.00 -1.78 0.00 0.00 1.01 0.00 0.00 58.87 58.10 2wqg n SER 23 Cb 0.00 2.19 0.00 0.00 -1.01 0.00 0.00 64.21 65.39 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 -0.47 0.02 -0.74 0.44 0.24 -1.26 -4.52 118.33 112.04 2wqg n VAL 24 Ca -0.03 -0.28 -0.23 0.00 -2.04 0.00 0.00 64.34 61.77 2wqg n VAL 24 Cb 0.41 1.44 -0.02 0.00 -1.47 0.00 0.00 33.84 34.20 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 -0.01 2.97 0.00 7.63 0.00 -1.26 -4.03 105.19 110.49 2wqg n GLY 25 Ca 0.00 -0.84 0.00 0.00 0.00 0.00 0.00 46.02 45.18 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 3.86 -0.49 0.00 -0.02 0.00 -1.26 -5.15 105.19 102.13 2wqg n GLY 26 Ca 0.42 0.28 0.00 0.00 0.00 0.00 0.00 46.02 46.72 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 -0.19 0.00 -0.05 0.99 -0.00 -1.26 -4.92 117.00 111.57 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 -0.46 -0.62 1.96 3.64 -1.95 2.62 116.57 121.75 2wqg h LYS 28 Ca 0.00 0.03 0.09 0.00 -1.27 0.00 0.00 60.65 59.50 2wqg h LYS 28 Cb 0.00 0.11 -0.07 0.00 -0.41 0.00 0.00 32.23 31.85 2wqg h LYS 28 CO 0.00 -0.31 0.24 -0.97 -2.27 0.00 0.00 179.45 176.14 2wqg h ASN 29 N -0.48 0.25 0.35 4.20 -1.24 -1.96 0.33 115.58 117.04 2wqg h ASN 29 Ca 0.07 0.08 -0.06 0.00 0.71 0.00 0.00 56.30 57.09 2wqg h ASN 29 Cb 0.64 0.05 -0.01 0.00 0.73 0.00 0.00 38.32 39.73 2wqg h ASN 29 CO -0.48 0.15 -0.31 -0.33 -1.29 0.00 0.00 177.43 175.17 2wqg h GLU 30 N 0.43 0.00 -0.10 6.67 4.39 -1.45 -1.73 114.58 122.79 2wqg h GLU 30 Ca 0.31 0.00 -0.06 0.00 0.34 0.00 0.00 59.36 59.95 2wqg h GLU 30 Cb 0.38 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.03 2wqg h GLU 30 CO -0.30 0.31 -0.17 -1.49 -1.16 0.00 0.00 179.01 176.20 2wqg h TRP 31 N 0.00 0.37 -0.44 4.33 6.55 0.80 0.25 115.95 127.82 2wqg h TRP 31 Ca -0.00 -0.13 -0.05 0.00 0.95 0.00 0.00 58.89 59.66 2wqg h TRP 31 Cb 0.57 -0.07 -0.02 0.00 -0.86 0.00 0.00 29.16 28.77 2wqg h TRP 31 CO 0.00 0.77 0.05 -0.24 -1.05 0.00 0.00 178.44 177.97 2wqg h VAL 32 N -0.13 1.21 -0.02 1.49 3.04 -0.47 0.15 116.25 121.53 2wqg h VAL 32 Ca 0.01 -0.82 -0.00 0.00 -1.01 0.00 0.00 66.70 64.88 2wqg h VAL 32 Cb 0.73 0.83 -0.00 0.00 -2.01 0.00 0.00 31.29 30.84 2wqg h VAL 32 CO 0.04 0.29 -0.01 1.56 -1.01 0.00 0.00 177.57 178.44 2wqg h GLN 33 N 0.65 0.03 -0.58 4.17 7.50 -1.24 -0.08 115.11 125.55 2wqg h GLN 33 Ca 0.14 -0.01 -0.09 0.00 0.50 0.00 0.00 58.65 59.18 2wqg h GLN 33 Cb 0.33 -0.00 -0.02 0.00 0.05 0.00 0.00 27.48 27.84 2wqg h GLN 33 CO 0.01 0.42 0.01 0.07 -1.50 0.00 0.00 178.83 177.84 2wqg h ARG 34 N -0.36 1.03 0.14 1.46 0.11 -0.76 -1.34 114.38 114.66 2wqg h ARG 34 Ca 0.00 -0.32 -0.01 0.00 0.10 0.00 0.00 59.98 59.75 2wqg h ARG 34 Cb 0.41 -0.09 0.00 0.00 1.11 0.00 0.00 29.97 31.40 2wqg h ARG 34 CO 0.00 1.01 -0.07 -0.07 0.10 0.00 0.00 179.97 180.94 2wqg h LEU 35 N 0.92 -0.16 -0.95 0.08 3.38 -0.71 0.13 115.31 117.98 2wqg h LEU 35 Ca 0.17 -0.17 0.14 0.00 0.09 0.00 0.00 57.88 58.11 2wqg h LEU 35 Cb 0.54 0.04 -0.09 0.00 0.09 0.00 0.00 40.66 41.24 2wqg h LEU 35 CO 0.03 0.07 0.57 0.40 0.09 0.00 0.00 178.44 179.60 2wqg h ILE 36 N -0.40 0.81 -0.06 1.22 2.04 -0.95 0.41 117.51 120.59 2wqg h ILE 36 Ca -0.02 -0.28 -0.12 0.00 1.00 0.00 0.00 64.86 65.44 2wqg h ILE 36 Cb 0.32 -0.09 -0.01 0.00 -0.74 0.00 0.00 36.82 36.30 2wqg h ILE 36 CO 0.03 0.15 -0.50 0.50 0.00 0.00 0.00 178.15 178.33 2wqg h LYS 37 N 0.83 0.15 -0.43 2.37 3.64 -1.00 0.11 116.57 122.24 2wqg h LYS 37 Ca 0.51 -0.08 -0.09 0.00 -1.27 0.00 0.00 60.65 59.71 2wqg h LYS 37 Cb 0.63 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.45 2wqg h LYS 37 CO -0.32 0.62 -0.08 0.22 -2.27 0.00 0.00 179.45 177.62 2wqg h ASP 38 N 0.12 0.82 1.53 4.20 3.58 0.25 -2.64 116.42 124.28 2wqg h ASP 38 Ca 0.00 -0.35 -0.07 0.00 0.42 0.00 0.00 57.03 57.03 2wqg h ASP 38 Cb 0.93 -0.22 -0.01 0.00 1.72 0.00 0.00 39.33 41.75 2wqg h ASP 38 CO 0.07 0.98 -0.34 0.44 -2.88 0.00 0.00 179.24 177.52 2wqg h ASP 39 N 0.65 0.00 1.23 2.28 5.19 -0.64 -3.15 116.42 121.98 2wqg h ASP 39 Ca 0.11 0.00 -0.02 0.00 -0.62 0.00 0.00 57.03 56.50 2wqg h ASP 39 Cb 0.61 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 40.11 2wqg h ASP 39 CO 0.04 0.34 -0.11 -0.08 -3.12 0.00 0.00 179.24 176.30 2wqg h GLU 40 N 0.00 0.00 0.00 3.56 4.22 -0.77 -2.96 114.58 118.62 2wqg h GLU 40 Ca -0.00 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.44 2wqg h GLU 40 Cb 1.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.44 2wqg h GLU 40 CO 0.04 0.11 0.24 0.93 -2.18 0.00 0.00 179.01 178.15 2wqg h GLU 41 N 0.00 0.00 0.00 1.92 5.08 -1.43 -0.96 114.58 119.20 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 0.76 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.01 2wqg h GLU 41 CO 0.01 0.00 0.00 0.43 -1.00 0.00 0.00 179.01 178.45 2wqg n SER 42 N -2.61 0.47 -1.70 1.42 7.64 -1.15 -4.69 113.62 113.00 2wqg n SER 42 Ca -0.02 -0.82 -0.18 0.00 1.01 0.00 0.00 58.87 58.86 2wqg n SER 42 Cb 0.28 0.17 -0.06 0.00 -1.01 0.00 0.00 64.21 63.58 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 -0.17 -1.49 0.00 1.43 4.81 -0.36 -2.69 118.16 119.69 2wqg n LYS 43 Ca 0.00 1.02 0.00 0.00 -0.87 0.00 0.00 58.31 58.46 2wqg n LYS 43 Cb 0.07 -5.41 0.00 0.00 0.02 0.00 0.00 35.03 29.70 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 -0.46 2.33 0.00 3.14 0.00 -1.23 -4.29 105.19 104.68 2wqg n GLY 44 Ca -0.19 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 45.71 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 -3.31 1.61 2.13 -1.25 -4.94 120.64 114.88 2wqg n GLU 45 Ca 0.00 0.04 -0.40 0.00 0.66 0.00 0.00 57.16 57.46 2wqg n GLU 45 Cb 0.00 -0.41 -0.08 0.00 0.27 0.00 0.00 31.44 31.22 2wqg n GLU 45 CO 0.00 0.00 0.00 -1.12 -0.41 0.00 0.00 177.13 175.60 2wqg s SER 46 N -3.01 6.32 1.21 4.31 0.01 -1.26 -5.06 113.70 116.22 2wqg s SER 46 Ca 0.00 0.31 -0.17 0.00 1.31 0.00 0.00 55.95 57.40 2wqg s SER 46 Cb 0.00 -2.24 0.25 0.00 0.21 0.00 0.00 66.02 64.23 2wqg s SER 46 CO 0.00 -0.27 0.60 -0.62 0.41 0.00 0.00 173.24 173.36 2wqg n GLU 47 N 5.47 -2.72 -1.01 12.44 1.02 -1.09 -4.44 120.64 130.30 2wqg n GLU 47 Ca -0.06 -0.78 0.04 0.00 -0.02 0.00 0.00 57.16 56.33 2wqg n GLU 47 Cb 0.50 -1.90 0.14 0.00 -0.02 0.00 0.00 31.44 30.16 2wqg n GLU 47 CO 0.00 0.00 0.00 1.33 1.18 0.00 0.00 177.13 179.64 2wqg n VAL 48 N -4.96 1.49 -3.90 2.62 0.24 -1.26 -4.91 118.33 107.65 2wqg n VAL 48 Ca 0.04 -2.56 -0.24 0.00 -2.04 0.00 0.00 64.34 59.53 2wqg n VAL 48 Cb 0.56 0.16 -0.03 0.00 -1.47 0.00 0.00 33.84 33.06 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 -2.87 6.34 0.56 -1.34 0.01 -1.26 -4.99 113.70 110.15 2wqg s SER 49 Ca 0.37 0.17 0.29 0.00 1.31 0.00 0.00 55.95 58.09 2wqg s SER 49 Cb 0.38 -1.91 1.46 0.00 0.21 0.00 0.00 66.02 66.16 2wqg s SER 49 CO -0.10 -0.02 1.91 -0.65 0.41 0.00 0.00 173.24 174.79 2wqg h PRO 50 N 1.71 0.00 0.00 12.44 0.11 -2.04 -3.56 132.00 140.66 2wqg h PRO 50 Ca -0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 2wqg h PRO 50 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 2wqg h PRO 50 CO 0.65 0.00 0.00 0.94 -0.21 0.00 0.00 178.00 179.38