#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 0.91 0.00 1.61 7.64 -1.26 -5.09 113.62 117.43 2wqg n SER 2 Ca 0.00 -1.91 0.00 0.00 1.01 0.00 0.00 58.87 57.97 2wqg n SER 2 Cb 0.00 -0.80 0.00 0.00 -1.01 0.00 0.00 64.21 62.40 2wqg n SER 2 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2wqg n ALA 3 N -3.27 0.00 -3.67 -0.43 0.00 -1.26 -4.94 120.51 106.95 2wqg n ALA 3 Ca -0.19 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.02 2wqg n ALA 3 Cb 0.60 0.00 0.06 0.00 0.00 0.00 0.00 19.45 20.10 2wqg n ALA 3 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2wqg n ASP 4 N -0.11 -3.72 -0.03 0.00 2.03 -1.26 -4.85 116.55 108.61 2wqg n ASP 4 Ca 0.00 -0.69 0.13 0.00 0.52 0.00 0.00 54.79 54.75 2wqg n ASP 4 Cb 0.00 -4.51 0.55 0.00 -0.72 0.00 0.00 41.12 36.44 2wqg n ASP 4 CO 0.00 0.00 0.00 1.88 -1.92 0.00 0.00 177.20 177.16 2wqg h TYR 5 N -2.16 0.30 -0.47 -0.67 -1.99 -1.92 -0.45 116.97 109.61 2wqg h TYR 5 Ca -0.59 0.01 0.14 0.00 2.00 0.00 0.00 58.73 60.29 2wqg h TYR 5 Cb 1.36 -0.10 -0.02 0.00 2.00 0.00 0.00 36.73 39.98 2wqg h TYR 5 CO 0.50 0.14 0.55 1.03 -0.00 0.00 0.00 178.16 180.38 2wqg h SER 6 N 0.28 0.00 0.13 3.88 0.87 -1.88 0.43 113.55 117.26 2wqg h SER 6 Ca 0.24 0.00 -0.26 0.00 -1.23 0.00 0.00 61.79 60.54 2wqg h SER 6 Cb 0.57 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 62.49 2wqg h SER 6 CO -0.05 0.00 -2.12 -1.20 -0.53 0.00 0.00 176.83 172.93 2wqg n SER 7 N -3.58 0.18 -3.80 6.23 7.64 -0.20 -4.96 113.62 115.13 2wqg n SER 7 Ca 0.09 0.08 0.00 0.00 1.01 0.00 0.00 58.87 60.05 2wqg n SER 7 Cb 0.74 1.02 0.00 0.00 -1.01 0.00 0.00 64.21 64.96 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 -2.69 0.00 -4.60 -3.43 4.32 0.15 -5.04 117.00 105.72 2wqg n LEU 8 Ca -0.22 0.00 -0.24 0.00 -0.02 0.00 0.00 56.01 55.53 2wqg n LEU 8 Cb 0.98 0.00 -0.08 0.00 -1.62 0.00 0.00 43.42 42.70 2wqg n LEU 8 CO 0.44 -0.62 -0.37 0.28 -1.22 0.00 0.00 177.39 175.90 2wqg s THR 9 N -0.12 3.21 0.39 -5.08 -1.32 -1.26 -5.02 115.64 106.44 2wqg s THR 9 Ca 0.00 -1.97 0.10 0.00 -1.21 0.00 0.00 61.69 58.61 2wqg s THR 9 Cb 0.00 -2.69 0.15 0.00 -1.51 0.00 0.00 72.50 68.45 2wqg s THR 9 CO 0.00 -0.34 1.91 -0.37 -2.21 0.00 0.00 174.62 173.61 2wqg h VAL 10 N 2.10 1.18 -0.21 5.08 -1.51 -1.96 0.12 116.25 121.06 2wqg h VAL 10 Ca -0.44 -0.82 -0.09 0.00 -1.23 0.00 0.00 66.70 64.12 2wqg h VAL 10 Cb 1.24 1.28 -0.00 0.00 -2.13 0.00 0.00 31.29 31.68 2wqg h VAL 10 CO 0.59 0.25 -0.22 -0.37 -1.23 0.00 0.00 177.57 176.60 2wqg h VAL 11 N 0.18 1.33 -0.12 7.19 -1.51 -1.99 -1.80 116.25 119.53 2wqg h VAL 11 Ca 0.04 -1.38 -0.19 0.00 -1.23 0.00 0.00 66.70 63.93 2wqg h VAL 11 Cb 0.40 1.76 -0.00 0.00 -2.13 0.00 0.00 31.29 31.32 2wqg h VAL 11 CO 0.03 0.42 -0.72 1.56 -1.23 0.00 0.00 177.57 177.63 2wqg h GLN 12 N 0.19 0.55 0.59 5.19 4.20 -1.93 -0.91 115.11 122.99 2wqg h GLN 12 Ca 0.03 -0.44 -0.03 0.00 0.06 0.00 0.00 58.65 58.28 2wqg h GLN 12 Cb 0.77 0.09 0.01 0.00 0.30 0.00 0.00 27.48 28.64 2wqg h GLN 12 CO 0.05 1.06 -0.28 -0.07 -0.67 0.00 0.00 178.83 178.92 2wqg h LEU 13 N 0.38 -0.67 -0.98 1.46 4.07 -0.76 -0.09 115.31 118.72 2wqg h LEU 13 Ca -0.03 0.00 -0.11 0.00 0.08 0.00 0.00 57.88 57.82 2wqg h LEU 13 Cb 1.31 0.17 -0.01 0.00 1.08 0.00 0.00 40.66 43.21 2wqg h LEU 13 CO 0.13 -0.44 -0.50 0.07 -1.08 0.00 0.00 178.44 176.62 2wqg h LYS 14 N -0.85 0.03 0.09 1.13 2.10 -1.40 -0.48 116.57 117.19 2wqg h LYS 14 Ca -0.08 -0.02 -0.00 0.00 -2.00 0.00 0.00 60.65 58.55 2wqg h LYS 14 Cb 0.63 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.96 2wqg h LYS 14 CO 0.13 0.52 -0.04 0.22 -2.00 0.00 0.00 179.45 178.29 2wqg h ASP 15 N 0.03 -0.10 0.17 7.07 3.58 -1.02 -1.09 116.42 125.07 2wqg h ASP 15 Ca -0.00 -0.20 -0.07 0.00 0.42 0.00 0.00 57.03 57.18 2wqg h ASP 15 Cb 0.89 0.03 -0.01 0.00 1.72 0.00 0.00 39.33 41.95 2wqg h ASP 15 CO 0.07 0.14 -0.27 0.17 -2.88 0.00 0.00 179.24 176.47 2wqg h LEU 16 N -0.34 0.17 0.59 2.28 -0.00 -0.97 -1.77 115.31 115.26 2wqg h LEU 16 Ca -0.01 -0.05 -0.03 0.00 -0.00 0.00 0.00 57.88 57.79 2wqg h LEU 16 Cb 0.29 -0.05 -0.00 0.00 -0.00 0.00 0.00 40.66 40.90 2wqg h LEU 16 CO 0.02 0.45 -0.33 -0.07 -0.00 0.00 0.00 178.44 178.51 2wqg h LEU 17 N 0.16 -0.81 -1.70 0.17 3.38 -0.70 0.70 115.31 116.50 2wqg h LEU 17 Ca 0.02 0.04 -0.03 0.00 0.09 0.00 0.00 57.88 58.01 2wqg h LEU 17 Cb 0.57 0.23 -0.00 0.00 0.09 0.00 0.00 40.66 41.54 2wqg h LEU 17 CO 0.04 -0.53 -0.12 0.00 0.09 0.00 0.00 178.44 177.91 2wqg h THR 18 N -0.86 1.10 -0.27 0.22 1.03 -1.13 0.29 112.91 113.30 2wqg h THR 18 Ca -0.07 -0.48 -0.03 0.00 -0.01 0.00 0.00 66.41 65.82 2wqg h THR 18 Cb 0.68 1.23 -0.01 0.00 -1.07 0.00 0.00 68.15 68.97 2wqg h THR 18 CO 0.10 0.14 0.03 0.11 -0.01 0.00 0.00 175.52 175.89 2wqg h LYS 19 N 0.03 0.39 0.00 0.00 1.57 -0.52 -0.54 116.57 117.50 2wqg h LYS 19 Ca 0.01 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 2wqg h LYS 19 Cb 0.24 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.48 2wqg h LYS 19 CO 0.02 0.40 -0.06 0.54 -0.57 0.00 0.00 179.45 179.77 2wqg n ARG 20 N -4.35 0.20 -0.42 3.15 1.74 0.16 -4.91 116.66 112.24 2wqg n ARG 20 Ca 0.01 0.15 0.00 0.00 -0.77 0.00 0.00 57.85 57.24 2wqg n ARG 20 Cb 0.19 -1.72 0.00 0.00 -1.02 0.00 0.00 32.46 29.90 2wqg n ARG 20 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 2wqg n ASN 21 N -2.07 0.00 0.00 0.55 3.02 -0.21 -4.96 115.26 111.59 2wqg n ASN 21 Ca 0.06 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.61 2wqg n ASN 21 Cb 0.41 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.58 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 0.25 0.00 3.41 4.77 -1.12 -4.97 117.00 119.35 2wqg n LEU 22 Ca 0.00 0.57 0.00 0.00 -0.03 0.00 0.00 56.01 56.55 2wqg n LEU 22 Cb 0.00 -0.13 0.00 0.00 -2.33 0.00 0.00 43.42 40.96 2wqg n LEU 22 CO 0.00 -0.13 0.00 -1.20 -1.33 0.00 0.00 177.39 174.73 2wqg n SER 23 N -0.88 0.00 0.00 -1.43 7.64 -1.24 -4.98 113.62 112.73 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 -1.20 0.07 -0.74 0.44 0.24 -1.26 -4.41 118.33 111.47 2wqg n VAL 24 Ca 0.00 -0.21 -0.26 0.00 -2.04 0.00 0.00 64.34 61.83 2wqg n VAL 24 Cb 0.00 1.48 -0.03 0.00 -1.47 0.00 0.00 33.84 33.82 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 -0.04 2.61 0.00 7.63 0.00 -1.26 -4.05 105.19 110.08 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 4.09 -0.57 0.00 -0.02 0.00 -1.26 -5.14 105.19 102.29 2wqg n GLY 26 Ca 0.40 0.36 0.00 0.00 0.00 0.00 0.00 46.02 46.78 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 -0.67 1.96 3.64 -1.95 2.71 116.57 121.75 2wqg h LYS 28 Ca 0.00 0.03 0.08 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 31.87 2wqg h LYS 28 CO 0.00 -0.34 0.33 -2.95 -2.27 0.00 0.00 179.45 174.22 2wqg h ASN 29 N -0.52 0.43 0.35 4.20 -1.07 -1.96 0.32 115.58 117.34 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 -0.02 -0.01 0.00 -2.07 0.00 0.00 38.32 36.88 2wqg h ASN 29 CO -0.45 0.26 -0.29 -0.33 0.07 0.00 0.00 177.43 176.70 2wqg h GLU 30 N 0.58 0.00 -0.09 4.14 4.39 -1.49 -1.78 114.58 120.33 2wqg h GLU 30 Ca 0.32 0.00 -0.10 0.00 0.34 0.00 0.00 59.36 59.92 2wqg h GLU 30 Cb 0.31 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.96 2wqg h GLU 30 CO -0.25 0.29 -0.35 -1.49 -1.16 0.00 0.00 179.01 176.05 2wqg h TRP 31 N 0.00 0.54 -0.44 4.33 6.55 0.80 -0.86 115.95 126.87 2wqg h TRP 31 Ca -0.00 -0.22 -0.06 0.00 0.95 0.00 0.00 58.89 59.56 2wqg h TRP 31 Cb 0.55 -0.09 -0.02 0.00 -0.86 0.00 0.00 29.16 28.74 2wqg h TRP 31 CO 0.00 0.96 0.04 -0.24 -1.05 0.00 0.00 178.44 178.15 2wqg h VAL 32 N -0.04 1.22 0.07 1.49 3.04 -0.36 0.19 116.25 121.86 2wqg h VAL 32 Ca -0.02 -0.85 -0.00 0.00 -1.01 0.00 0.00 66.70 64.82 2wqg h VAL 32 Cb 0.98 0.84 0.00 0.00 -2.01 0.00 0.00 31.29 31.10 2wqg h VAL 32 CO 0.07 0.30 -0.03 1.56 -1.01 0.00 0.00 177.57 178.46 2wqg h GLN 33 N 0.66 -0.09 -0.50 4.17 7.50 -1.29 0.65 115.11 126.21 2wqg h GLN 33 Ca 0.14 0.01 -0.08 0.00 0.50 0.00 0.00 58.65 59.22 2wqg h GLN 33 Cb 0.35 0.02 -0.02 0.00 0.05 0.00 0.00 27.48 27.88 2wqg h GLN 33 CO 0.01 0.28 -0.01 0.07 -1.50 0.00 0.00 178.83 177.68 2wqg h ARG 34 N -0.48 0.84 0.12 1.46 0.11 -1.01 -1.19 114.38 114.23 2wqg h ARG 34 Ca -0.01 -0.24 -0.01 0.00 0.10 0.00 0.00 59.98 59.83 2wqg h ARG 34 Cb 0.42 -0.09 0.00 0.00 1.11 0.00 0.00 29.97 31.40 2wqg h ARG 34 CO 0.02 0.85 -0.06 -0.07 0.10 0.00 0.00 179.97 180.81 2wqg h LEU 35 N 0.78 -0.14 -1.17 0.08 3.38 -0.63 0.20 115.31 117.82 2wqg h LEU 35 Ca 0.15 -0.26 0.14 0.00 0.09 0.00 0.00 57.88 58.00 2wqg h LEU 35 Cb 0.48 0.04 -0.08 0.00 0.09 0.00 0.00 40.66 41.19 2wqg h LEU 35 CO 0.02 0.19 0.60 0.40 0.09 0.00 0.00 178.44 179.75 2wqg h ILE 36 N -0.48 0.85 -0.04 1.22 2.04 -0.76 0.45 117.51 120.78 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 0.39 -0.02 -0.01 0.00 -0.74 0.00 0.00 36.82 36.44 2wqg h ILE 36 CO 0.03 0.14 -0.63 0.11 0.00 0.00 0.00 178.15 177.80 2wqg h LYS 37 N 0.79 0.15 -0.08 2.37 1.57 -1.00 -0.78 116.57 119.60 2wqg h LYS 37 Ca 0.48 -0.11 -0.02 0.00 -1.87 0.00 0.00 60.65 59.13 2wqg h LYS 37 Cb 0.67 0.02 -0.00 0.00 0.08 0.00 0.00 32.23 33.00 2wqg h LYS 37 CO -0.24 0.73 -0.03 0.22 -0.57 0.00 0.00 179.45 179.56 2wqg h ASP 38 N 0.11 0.16 0.40 0.86 1.82 0.30 0.68 116.42 120.75 2wqg h ASP 38 Ca -0.01 -0.40 -0.11 0.00 -0.39 0.00 0.00 57.03 56.13 2wqg h ASP 38 Cb 1.14 -0.04 -0.01 0.00 0.68 0.00 0.00 39.33 41.09 2wqg h ASP 38 CO 0.09 0.52 -0.47 0.44 -1.61 0.00 0.00 179.24 178.21 2wqg h ASP 39 N -0.20 0.10 1.76 2.28 3.45 -0.61 -2.79 116.42 120.41 2wqg h ASP 39 Ca 0.02 -0.04 -0.04 0.00 0.43 0.00 0.00 57.03 57.40 2wqg h ASP 39 Cb 0.46 -0.03 -0.01 0.00 -0.56 0.00 0.00 39.33 39.19 2wqg h ASP 39 CO 0.01 0.56 -0.17 -0.33 -1.57 0.00 0.00 179.24 177.74 2wqg h GLU 40 N 0.08 0.00 0.00 3.56 5.08 -1.06 -3.24 114.58 119.00 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 0.86 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.11 2wqg h GLU 40 CO 0.07 0.17 0.27 0.93 -1.00 0.00 0.00 179.01 179.44 2wqg h GLU 41 N 0.00 0.00 0.01 2.33 4.39 -0.57 0.19 114.58 120.93 2wqg h GLU 41 Ca -0.00 0.00 -0.32 0.00 0.34 0.00 0.00 59.36 59.38 2wqg h GLU 41 Cb 1.10 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 29.69 2wqg h GLU 41 CO 0.02 0.00 -1.90 0.43 -1.16 0.00 0.00 179.01 176.40 2wqg n SER 42 N -2.57 0.81 -2.84 1.42 7.64 -1.22 -4.95 113.62 111.90 2wqg n SER 42 Ca -0.02 0.29 -0.10 0.00 1.01 0.00 0.00 58.87 60.06 2wqg n SER 42 Cb 0.30 0.10 -0.01 0.00 -1.01 0.00 0.00 64.21 63.59 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 -3.02 -2.62 0.00 1.43 3.00 0.65 -4.72 118.16 112.88 2wqg n LYS 43 Ca -0.22 0.17 0.00 0.00 -0.00 0.00 0.00 58.31 58.26 2wqg n LYS 43 Cb 1.07 -4.72 0.00 0.00 0.00 0.00 0.00 35.03 31.38 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 -0.69 0.17 3.46 3.14 0.00 -1.26 -5.08 105.19 104.93 2wqg n GLY 44 Ca -0.01 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.69 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 -1.67 -0.83 -1.70 1.61 2.13 -1.26 -4.82 120.64 114.10 2wqg n GLU 45 Ca 0.00 -0.20 -0.42 0.00 0.66 0.00 0.00 57.16 57.20 2wqg n GLU 45 Cb 0.00 -2.00 -0.03 0.00 0.27 0.00 0.00 31.44 29.68 2wqg n GLU 45 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 2wqg s SER 46 N -2.20 6.06 0.00 4.31 0.15 -1.26 -4.39 113.70 116.38 2wqg s SER 46 Ca 0.61 2.26 0.00 0.00 0.70 0.00 0.00 55.95 59.52 2wqg s SER 46 Cb -0.21 -2.52 0.00 0.00 -1.71 0.00 0.00 66.02 61.58 2wqg s SER 46 CO 0.65 -1.42 0.00 1.21 1.20 0.00 0.00 173.24 174.88 2wqg n GLU 47 N 8.01 0.00 -2.86 5.44 0.00 -1.26 -5.06 120.64 124.90 2wqg n GLU 47 Ca 0.23 0.00 -0.43 0.00 0.00 0.00 0.00 57.16 56.96 2wqg n GLU 47 Cb 0.43 0.00 -0.03 0.00 0.00 0.00 0.00 31.44 31.84 2wqg n GLU 47 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.13 177.21 2wqg s VAL 48 N -1.27 4.54 -0.02 6.31 1.01 -1.26 -4.88 120.40 124.83 2wqg s VAL 48 Ca 0.00 -1.22 -0.22 0.00 0.00 0.00 0.00 61.98 60.54 2wqg s VAL 48 Cb 0.00 -4.80 -0.14 0.00 0.00 0.00 0.00 36.38 31.44 2wqg s VAL 48 CO 0.00 -1.56 0.98 -1.28 0.00 0.00 0.00 175.10 173.25 2wqg h SER 49 N 9.12 -0.39 0.00 3.32 0.87 -1.97 -3.31 113.55 121.17 2wqg h SER 49 Ca 0.07 -0.15 -0.49 0.00 -1.23 0.00 0.00 61.79 59.99 2wqg h SER 49 Cb 1.03 0.10 0.01 0.00 -0.44 0.00 0.00 62.40 63.10 2wqg h SER 49 CO 1.17 0.04 2.70 -0.81 -0.53 0.00 0.00 176.83 179.40 2wqg n PRO 50 N -5.11 2.86 0.00 2.24 -0.04 -1.26 -5.28 135.00 128.41 2wqg n PRO 50 Ca -0.09 -1.73 0.15 0.00 -0.04 0.00 0.00 63.50 61.80 2wqg n PRO 50 Cb 0.27 -2.53 0.90 0.00 -0.04 0.00 0.00 33.50 32.10 2wqg n PRO 50 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40