#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 0.08 -4.72 1.61 4.64 -2.01 -3.46 113.55 109.69 2wqg h SER 2 Ca 0.00 -0.09 -0.14 0.00 -0.47 0.00 0.00 61.79 61.09 2wqg h SER 2 Cb 0.00 -0.03 -0.21 0.00 -0.31 0.00 0.00 62.40 61.85 2wqg h SER 2 CO 0.00 1.08 -0.37 0.00 -0.87 0.00 0.00 176.83 176.67 2wqg s ALA 3 N -2.68 -0.62 -0.17 5.18 0.00 -1.26 -5.04 121.76 117.16 2wqg s ALA 3 Ca -0.01 0.28 0.17 0.00 0.00 0.00 0.00 51.96 52.41 2wqg s ALA 3 Cb 0.09 -0.03 0.38 0.00 0.00 0.00 0.00 23.12 23.56 2wqg s ALA 3 CO 0.83 -0.21 1.21 -0.25 0.00 0.00 0.00 175.76 177.34 2wqg n ASP 4 N 1.71 0.24 0.06 0.00 8.00 -1.26 -4.92 116.55 120.38 2wqg n ASP 4 Ca -0.20 -2.06 0.21 0.00 0.71 0.00 0.00 54.79 53.45 2wqg n ASP 4 Cb 0.56 -0.01 0.73 0.00 -0.02 0.00 0.00 41.12 42.38 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 1.38 0.00 -0.31 1.24 0.05 -1.96 -0.09 116.97 117.28 2wqg h TYR 5 Ca -0.31 0.00 0.09 0.00 0.05 0.00 0.00 58.73 58.56 2wqg h TYR 5 Cb 1.45 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 39.18 2wqg h TYR 5 CO 0.17 0.00 0.53 1.03 -1.05 0.00 0.00 178.16 178.84 2wqg h SER 6 N 0.00 0.00 0.00 3.88 0.87 -1.91 0.36 113.55 116.75 2wqg h SER 6 Ca 0.22 0.00 -0.18 0.00 -1.23 0.00 0.00 61.79 60.61 2wqg h SER 6 Cb 1.21 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 63.14 2wqg h SER 6 CO -0.00 0.00 -2.10 -1.20 -0.53 0.00 0.00 176.83 172.99 2wqg n SER 7 N -3.29 0.41 -3.28 6.23 7.64 -0.05 -4.99 113.62 116.29 2wqg n SER 7 Ca 0.05 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.93 2wqg n SER 7 Cb 0.66 1.42 0.00 0.00 -1.01 0.00 0.00 64.21 65.28 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 -2.45 0.00 -4.65 -3.43 4.32 0.13 -5.03 117.00 105.88 2wqg n LEU 8 Ca -0.17 0.00 -0.26 0.00 -0.02 0.00 0.00 56.01 55.56 2wqg n LEU 8 Cb 0.83 0.00 -0.08 0.00 -1.62 0.00 0.00 43.42 42.55 2wqg n LEU 8 CO 0.41 -1.10 -0.34 0.28 -1.22 0.00 0.00 177.39 175.42 2wqg s THR 9 N -0.57 3.59 0.47 -5.08 -1.32 -1.26 -5.00 115.64 106.48 2wqg s THR 9 Ca 0.00 -1.57 0.12 0.00 -1.21 0.00 0.00 61.69 59.03 2wqg s THR 9 Cb 0.00 -2.83 0.27 0.00 -1.51 0.00 0.00 72.50 68.43 2wqg s THR 9 CO 0.00 -0.17 2.10 -0.37 -2.21 0.00 0.00 174.62 173.97 2wqg h VAL 10 N 2.36 1.04 -0.21 5.08 -1.51 -1.95 0.28 116.25 121.34 2wqg h VAL 10 Ca -0.46 -0.09 -0.12 0.00 -1.23 0.00 0.00 66.70 64.80 2wqg h VAL 10 Cb 1.21 0.75 -0.00 0.00 -2.13 0.00 0.00 31.29 31.13 2wqg h VAL 10 CO 0.58 0.05 -0.34 -0.37 -1.23 0.00 0.00 177.57 176.26 2wqg h VAL 11 N 0.26 1.33 -0.15 7.19 -1.51 -1.98 -1.91 116.25 119.48 2wqg h VAL 11 Ca 0.08 -1.55 -0.22 0.00 -1.23 0.00 0.00 66.70 63.78 2wqg h VAL 11 Cb 0.01 1.83 0.01 0.00 -2.13 0.00 0.00 31.29 31.00 2wqg h VAL 11 CO -0.02 0.48 -0.77 1.56 -1.23 0.00 0.00 177.57 177.59 2wqg h GLN 12 N 0.27 0.75 0.35 5.19 4.20 -1.84 -0.82 115.11 123.21 2wqg h GLN 12 Ca 0.02 -0.61 -0.02 0.00 0.06 0.00 0.00 58.65 58.10 2wqg h GLN 12 Cb 0.93 0.13 0.00 0.00 0.30 0.00 0.00 27.48 28.84 2wqg h GLN 12 CO 0.08 1.22 -0.17 -0.07 -0.67 0.00 0.00 178.83 179.22 2wqg h LEU 13 N 0.51 -0.40 -0.81 1.46 4.07 -0.49 0.03 115.31 119.68 2wqg h LEU 13 Ca -0.05 0.01 -0.13 0.00 0.08 0.00 0.00 57.88 57.80 2wqg h LEU 13 Cb 1.40 0.10 -0.02 0.00 1.08 0.00 0.00 40.66 43.22 2wqg h LEU 13 CO 0.16 -0.29 -0.58 0.07 -1.08 0.00 0.00 178.44 176.72 2wqg h LYS 14 N -0.47 0.05 0.09 1.13 2.10 -1.41 -0.55 116.57 117.51 2wqg h LYS 14 Ca -0.05 -0.04 -0.00 0.00 -2.00 0.00 0.00 60.65 58.56 2wqg h LYS 14 Cb 0.36 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.70 2wqg h LYS 14 CO 0.08 0.62 -0.04 0.22 -2.00 0.00 0.00 179.45 178.32 2wqg h ASP 15 N 0.04 -0.10 -0.28 7.07 3.58 -0.94 -1.67 116.42 124.12 2wqg h ASP 15 Ca -0.00 -0.23 -0.07 0.00 0.42 0.00 0.00 57.03 57.14 2wqg h ASP 15 Cb 1.03 0.03 -0.02 0.00 1.72 0.00 0.00 39.33 42.09 2wqg h ASP 15 CO 0.08 0.18 -0.06 0.17 -2.88 0.00 0.00 179.24 176.73 2wqg h LEU 16 N -0.38 0.63 0.05 2.28 -0.00 -0.99 -1.89 115.31 115.02 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 0.61 -1.11 -1.63 0.17 3.38 -0.80 0.44 115.31 116.37 2wqg h LEU 17 Ca 0.12 0.13 -0.04 0.00 0.09 0.00 0.00 57.88 58.18 2wqg h LEU 17 Cb 0.47 0.43 -0.01 0.00 0.09 0.00 0.00 40.66 41.64 2wqg h LEU 17 CO 0.02 -0.44 -0.20 0.00 0.09 0.00 0.00 178.44 177.91 2wqg h THR 18 N -0.56 1.04 0.00 0.22 1.03 -1.22 -0.43 112.91 112.98 2wqg h THR 18 Ca 0.04 -0.72 -0.01 0.00 -0.01 0.00 0.00 66.41 65.71 2wqg h THR 18 Cb 0.62 1.40 -0.00 0.00 -1.07 0.00 0.00 68.15 69.10 2wqg h THR 18 CO -0.26 0.20 -0.06 0.11 -0.01 0.00 0.00 175.52 175.50 2wqg h LYS 19 N 0.00 0.00 0.00 0.00 1.57 -0.01 -2.63 116.57 115.50 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 0.38 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.69 2wqg h LYS 19 CO 0.03 0.06 -0.52 0.54 -0.57 0.00 0.00 179.45 178.98 2wqg n ARG 20 N -3.18 0.19 -0.00 3.15 5.12 0.13 -4.93 116.66 117.15 2wqg n ARG 20 Ca 0.00 0.06 0.00 0.00 -1.93 0.00 0.00 57.85 55.99 2wqg n ARG 20 Cb 0.33 -1.63 0.00 0.00 -1.16 0.00 0.00 32.46 30.00 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 -1.92 0.00 0.00 0.55 3.02 -0.99 -5.04 115.26 110.89 2wqg n ASN 21 Ca 0.04 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.59 2wqg n ASN 21 Cb 0.40 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.57 2wqg n ASN 21 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 2wqg n LEU 22 N 0.00 0.00 0.00 3.41 4.77 -1.13 -4.99 117.00 119.06 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 0.48 -1.20 -1.33 0.00 0.00 177.39 175.34 2wqg n SER 23 N 0.00 -1.24 0.00 -1.43 7.64 -1.26 -4.77 113.62 112.56 2wqg n SER 23 Ca 0.00 -1.72 0.00 0.00 1.01 0.00 0.00 58.87 58.16 2wqg n SER 23 Cb 0.00 2.03 0.00 0.00 -1.01 0.00 0.00 64.21 65.23 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 -0.44 0.05 -0.73 0.44 0.24 -1.26 -4.51 118.33 112.13 2wqg n VAL 24 Ca -0.03 -0.26 -0.23 0.00 -2.04 0.00 0.00 64.34 61.78 2wqg n VAL 24 Cb 0.38 1.44 -0.02 0.00 -1.47 0.00 0.00 33.84 34.17 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 -0.03 2.96 0.00 7.63 0.00 -1.26 -4.06 105.19 110.44 2wqg n GLY 25 Ca 0.00 -0.83 0.00 0.00 0.00 0.00 0.00 46.02 45.19 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 3.85 -0.42 0.00 -0.02 0.00 -1.26 -5.14 105.19 102.20 2wqg n GLY 26 Ca 0.42 0.27 0.00 0.00 0.00 0.00 0.00 46.02 46.71 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 -0.12 0.00 -0.00 0.99 -0.00 -1.26 -4.92 117.00 111.69 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 -0.53 -0.67 1.96 3.64 -1.95 2.53 116.57 121.55 2wqg h LYS 28 Ca 0.00 0.04 0.08 0.00 -1.27 0.00 0.00 60.65 59.50 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 -0.36 0.34 -2.95 -2.27 0.00 0.00 179.45 174.21 2wqg h ASN 29 N -0.55 0.46 0.35 4.20 -1.07 -1.96 0.27 115.58 117.27 2wqg h ASN 29 Ca 0.05 0.05 -0.06 0.00 0.07 0.00 0.00 56.30 56.41 2wqg h ASN 29 Cb 0.67 -0.03 -0.01 0.00 -2.07 0.00 0.00 38.32 36.88 2wqg h ASN 29 CO -0.42 0.28 -0.29 -0.33 0.07 0.00 0.00 177.43 176.74 2wqg h GLU 30 N 0.60 0.00 -0.08 4.14 5.08 -1.54 -1.66 114.58 121.12 2wqg h GLU 30 Ca 0.32 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.61 2wqg h GLU 30 Cb 0.30 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.55 2wqg h GLU 30 CO -0.24 0.29 -0.23 -1.49 -1.00 0.00 0.00 179.01 176.34 2wqg h TRP 31 N 0.00 0.39 -0.43 4.33 6.55 0.75 -0.66 115.95 126.88 2wqg h TRP 31 Ca -0.00 -0.15 -0.05 0.00 0.95 0.00 0.00 58.89 59.63 2wqg h TRP 31 Cb 0.54 -0.07 -0.02 0.00 -0.86 0.00 0.00 29.16 28.75 2wqg h TRP 31 CO 0.00 0.85 0.04 -0.24 -1.05 0.00 0.00 178.44 178.04 2wqg h VAL 32 N -0.18 1.21 -0.10 1.49 3.04 -0.52 0.14 116.25 121.33 2wqg h VAL 32 Ca -0.01 -0.83 -0.03 0.00 -1.01 0.00 0.00 66.70 64.83 2wqg h VAL 32 Cb 0.85 0.84 -0.00 0.00 -2.01 0.00 0.00 31.29 30.97 2wqg h VAL 32 CO 0.05 0.29 -0.04 1.56 -1.01 0.00 0.00 177.57 178.43 2wqg h GLN 33 N 0.64 0.20 -0.49 4.17 1.08 -1.27 -0.06 115.11 119.38 2wqg h GLN 33 Ca 0.14 -0.08 -0.11 0.00 -1.45 0.00 0.00 58.65 57.14 2wqg h GLN 33 Cb 0.34 -0.01 -0.02 0.00 -0.05 0.00 0.00 27.48 27.74 2wqg h GLN 33 CO 0.01 0.54 -0.11 0.07 -0.95 0.00 0.00 178.83 178.38 2wqg h ARG 34 N -0.14 0.95 0.16 1.46 0.11 -0.91 -0.98 114.38 115.03 2wqg h ARG 34 Ca 0.02 -0.36 -0.01 0.00 0.10 0.00 0.00 59.98 59.73 2wqg h ARG 34 Cb 0.47 -0.06 0.00 0.00 1.11 0.00 0.00 29.97 31.50 2wqg h ARG 34 CO 0.01 1.03 -0.08 -0.07 0.10 0.00 0.00 179.97 180.96 2wqg h LEU 35 N 0.81 -0.18 -1.20 0.08 3.38 -0.74 0.27 115.31 117.72 2wqg h LEU 35 Ca 0.13 -0.13 0.13 0.00 0.09 0.00 0.00 57.88 58.09 2wqg h LEU 35 Cb 0.67 0.05 -0.07 0.00 0.09 0.00 0.00 40.66 41.39 2wqg h LEU 35 CO 0.05 0.03 0.59 0.40 0.09 0.00 0.00 178.44 179.59 2wqg h ILE 36 N -0.38 0.88 -0.04 1.22 2.04 -0.96 0.36 117.51 120.63 2wqg h ILE 36 Ca -0.02 -0.28 -0.14 0.00 1.00 0.00 0.00 64.86 65.42 2wqg h ILE 36 Cb 0.30 0.01 -0.01 0.00 -0.74 0.00 0.00 36.82 36.37 2wqg h ILE 36 CO 0.04 0.15 -0.61 0.50 0.00 0.00 0.00 178.15 178.22 2wqg h LYS 37 N 0.80 0.13 -0.40 2.37 3.64 -0.81 0.15 116.57 122.46 2wqg h LYS 37 Ca 0.45 -0.09 -0.13 0.00 -1.27 0.00 0.00 60.65 59.61 2wqg h LYS 37 Cb 0.60 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.42 2wqg h LYS 37 CO -0.22 0.70 -0.26 0.22 -2.27 0.00 0.00 179.45 177.63 2wqg h ASP 38 N 0.10 0.92 1.52 4.20 3.58 0.32 -2.10 116.42 124.96 2wqg h ASP 38 Ca -0.01 -0.43 -0.09 0.00 0.42 0.00 0.00 57.03 56.93 2wqg h ASP 38 Cb 1.10 -0.26 -0.01 0.00 1.72 0.00 0.00 39.33 41.88 2wqg h ASP 38 CO 0.09 1.15 -0.49 -0.78 -2.88 0.00 0.00 179.24 176.33 2wqg h ASP 39 N 0.70 0.00 1.56 2.28 3.58 -0.64 -3.22 116.42 120.67 2wqg h ASP 39 Ca 0.08 0.00 -0.03 0.00 0.42 0.00 0.00 57.03 57.50 2wqg h ASP 39 Cb 0.83 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.88 2wqg h ASP 39 CO 0.07 0.40 -0.14 -0.08 -2.88 0.00 0.00 179.24 176.61 2wqg h GLU 40 N 0.00 0.00 0.00 0.28 4.22 -0.57 -3.19 114.58 115.32 2wqg h GLU 40 Ca -0.02 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.42 2wqg h GLU 40 Cb 1.32 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.57 2wqg h GLU 40 CO 0.05 0.14 0.30 0.93 -2.18 0.00 0.00 179.01 178.25 2wqg h GLU 41 N 0.00 0.00 -0.00 1.92 5.08 -1.39 0.11 114.58 120.30 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 0.95 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.20 2wqg h GLU 41 CO 0.02 0.00 -0.05 0.43 -1.00 0.00 0.00 179.01 178.41 2wqg n SER 42 N -2.59 0.39 -2.39 1.42 7.64 -1.21 -5.00 113.62 111.88 2wqg n SER 42 Ca -0.02 -0.69 -0.17 0.00 1.01 0.00 0.00 58.87 59.00 2wqg n SER 42 Cb 0.34 0.70 -0.01 0.00 -1.01 0.00 0.00 64.21 64.22 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 -0.69 -1.89 0.00 1.43 3.00 0.39 -4.58 118.16 115.82 2wqg n LYS 43 Ca 0.00 0.85 0.00 0.00 -0.00 0.00 0.00 58.31 59.16 2wqg n LYS 43 Cb 0.03 -5.48 0.00 0.00 0.00 0.00 0.00 35.03 29.58 2wqg n LYS 43 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2wqg n GLY 44 N -0.91 0.46 0.61 3.14 0.00 -1.25 -4.95 105.19 102.29 2wqg n GLY 44 Ca -0.21 -1.30 -0.13 0.00 0.00 0.00 0.00 46.02 44.38 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 0.27 -2.70 1.61 4.07 -1.26 -4.85 120.64 117.78 2wqg n GLU 45 Ca 0.00 0.12 -0.42 0.00 -0.06 0.00 0.00 57.16 56.79 2wqg n GLU 45 Cb 0.00 -0.95 -0.02 0.00 -0.06 0.00 0.00 31.44 30.41 2wqg n GLU 45 CO 0.00 0.00 0.00 0.45 -0.06 0.00 0.00 177.13 177.52 2wqg s SER 46 N -6.14 6.68 0.22 4.31 0.15 -1.26 -4.40 113.70 113.26 2wqg s SER 46 Ca -0.18 -2.01 0.00 0.00 0.70 0.00 0.00 55.95 54.46 2wqg s SER 46 Cb 0.07 -2.51 0.00 0.00 -1.71 0.00 0.00 66.02 61.87 2wqg s SER 46 CO 0.22 -1.23 0.00 1.21 1.20 0.00 0.00 173.24 174.64 2wqg n GLU 47 N 7.83 0.00 -0.89 5.44 4.07 -1.26 -4.91 120.64 130.91 2wqg n GLU 47 Ca 0.35 0.00 -0.04 0.00 -0.06 0.00 0.00 57.16 57.41 2wqg n GLU 47 Cb 0.48 0.00 0.28 0.00 -0.06 0.00 0.00 31.44 32.15 2wqg n GLU 47 CO 0.00 0.00 0.00 1.33 -0.06 0.00 0.00 177.13 178.40 2wqg n VAL 48 N -3.08 2.61 0.00 6.31 0.24 -1.26 -4.60 118.33 118.54 2wqg n VAL 48 Ca 0.00 -1.39 0.00 0.00 -2.04 0.00 0.00 64.34 60.91 2wqg n VAL 48 Cb 0.00 -0.39 0.00 0.00 -1.47 0.00 0.00 33.84 31.98 2wqg n VAL 48 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 2wqg n SER 49 N 0.00 0.00 0.26 -1.34 3.41 -1.26 -5.03 113.62 109.67 2wqg n SER 49 Ca 0.35 0.00 0.13 0.00 -0.26 0.00 0.00 58.87 59.08 2wqg n SER 49 Cb 1.25 0.00 0.71 0.00 -0.26 0.00 0.00 64.21 65.91 2wqg n SER 49 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 175.04 176.43 2wqg h PRO 50 N 0.00 0.00 0.00 4.33 0.13 -1.89 -3.44 132.00 131.13 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 0.12 0.00 1.04 -0.23 0.00 0.00 178.00 178.93