#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 0.65 0.00 1.61 7.64 -1.26 -5.06 113.62 117.20 2wqg n SER 2 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 2wqg n SER 2 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 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 -2.74 1.55 -3.79 -0.43 0.00 -1.26 -5.03 120.51 108.82 2wqg n ALA 3 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.20 2wqg n ALA 3 Cb 0.37 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.84 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 -0.55 -1.77 0.08 0.00 4.64 -1.26 -4.82 116.55 112.88 2wqg n ASP 4 Ca 0.00 -0.85 0.16 0.00 -1.38 0.00 0.00 54.79 52.73 2wqg n ASP 4 Cb 0.00 -3.84 0.68 0.00 -1.04 0.00 0.00 41.12 36.92 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 -1.90 0.00 -0.39 -0.67 -1.99 -1.96 -0.83 116.97 109.23 2wqg h TYR 5 Ca -0.61 0.00 0.11 0.00 2.00 0.00 0.00 58.73 60.23 2wqg h TYR 5 Cb 1.36 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 40.08 2wqg h TYR 5 CO 0.49 0.00 0.54 1.03 -0.00 0.00 0.00 178.16 180.22 2wqg h SER 6 N 0.00 0.00 0.00 3.88 0.87 -1.91 0.31 113.55 116.70 2wqg h SER 6 Ca 0.17 0.00 -0.09 0.00 -1.23 0.00 0.00 61.79 60.65 2wqg h SER 6 Cb 0.70 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.64 2wqg h SER 6 CO -0.00 0.00 -1.89 -0.24 -0.53 0.00 0.00 176.83 174.17 2wqg n SER 7 N -3.45 0.99 -3.85 6.23 2.88 -0.33 -4.99 113.62 111.10 2wqg n SER 7 Ca 0.07 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.61 2wqg n SER 7 Cb 0.69 1.54 0.00 0.00 -0.75 0.00 0.00 64.21 65.70 2wqg n SER 7 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 2wqg n LEU 8 N -2.25 0.00 -4.59 2.46 4.32 0.11 -5.04 117.00 112.01 2wqg n LEU 8 Ca -0.10 0.00 -0.24 0.00 -0.02 0.00 0.00 56.01 55.65 2wqg n LEU 8 Cb 0.62 0.00 -0.09 0.00 -1.62 0.00 0.00 43.42 42.34 2wqg n LEU 8 CO 0.36 -0.62 -0.36 0.28 -1.22 0.00 0.00 177.39 175.83 2wqg s THR 9 N -0.12 2.82 0.34 -5.08 -1.32 -1.26 -5.03 115.64 106.00 2wqg s THR 9 Ca 0.00 -2.09 0.07 0.00 -1.21 0.00 0.00 61.69 58.46 2wqg s THR 9 Cb 0.00 -2.67 0.12 0.00 -1.51 0.00 0.00 72.50 68.45 2wqg s THR 9 CO 0.00 -0.31 1.84 -0.37 -2.21 0.00 0.00 174.62 173.57 2wqg h VAL 10 N 1.97 1.22 -0.33 5.08 -1.51 -1.96 -0.16 116.25 120.56 2wqg h VAL 10 Ca -0.42 -0.98 -0.08 0.00 -1.23 0.00 0.00 66.70 63.99 2wqg h VAL 10 Cb 1.25 1.25 -0.01 0.00 -2.13 0.00 0.00 31.29 31.66 2wqg h VAL 10 CO 0.63 0.31 -0.09 -0.37 -1.23 0.00 0.00 177.57 176.82 2wqg h VAL 11 N 0.31 1.28 -0.09 7.19 -1.51 -1.99 -1.88 116.25 119.57 2wqg h VAL 11 Ca 0.06 -1.15 -0.16 0.00 -1.23 0.00 0.00 66.70 64.22 2wqg h VAL 11 Cb 0.48 1.34 0.01 0.00 -2.13 0.00 0.00 31.29 30.99 2wqg h VAL 11 CO 0.03 0.37 -0.56 1.56 -1.23 0.00 0.00 177.57 177.74 2wqg h GLN 12 N 0.42 0.54 -0.06 5.19 7.50 -1.94 -1.12 115.11 125.64 2wqg h GLN 12 Ca 0.08 -0.46 0.03 0.00 0.50 0.00 0.00 58.65 58.80 2wqg h GLN 12 Cb 0.59 0.10 -0.04 0.00 0.05 0.00 0.00 27.48 28.18 2wqg h GLN 12 CO 0.03 1.09 -0.13 -0.07 -1.50 0.00 0.00 178.83 178.25 2wqg h LEU 13 N 0.14 -0.40 -0.37 1.46 4.07 -1.03 0.28 115.31 119.46 2wqg h LEU 13 Ca -0.04 0.07 -0.19 0.00 0.08 0.00 0.00 57.88 57.80 2wqg h LEU 13 Cb 1.21 0.18 -0.00 0.00 1.08 0.00 0.00 40.66 43.14 2wqg h LEU 13 CO 0.12 -0.18 -0.69 0.07 -1.08 0.00 0.00 178.44 176.68 2wqg h LYS 14 N -0.19 0.56 -0.27 1.13 2.10 -1.42 -0.05 116.57 118.43 2wqg h LYS 14 Ca 0.07 -0.42 -0.01 0.00 -2.00 0.00 0.00 60.65 58.28 2wqg h LYS 14 Cb 0.29 0.08 -0.01 0.00 -0.90 0.00 0.00 32.23 31.68 2wqg h LYS 14 CO -0.18 1.05 0.14 0.22 -2.00 0.00 0.00 179.45 178.68 2wqg h ASP 15 N 0.40 0.34 0.46 7.07 3.58 -0.89 -1.39 116.42 125.98 2wqg h ASP 15 Ca -0.02 -0.11 -0.12 0.00 0.42 0.00 0.00 57.03 57.19 2wqg h ASP 15 Cb 1.27 -0.09 -0.01 0.00 1.72 0.00 0.00 39.33 42.21 2wqg h ASP 15 CO 0.13 0.36 -0.55 0.17 -2.88 0.00 0.00 179.24 176.46 2wqg h LEU 16 N 0.31 0.11 0.49 2.28 -0.00 -0.47 -1.94 115.31 116.08 2wqg h LEU 16 Ca 0.09 -0.06 -0.02 0.00 -0.00 0.00 0.00 57.88 57.90 2wqg h LEU 16 Cb 0.10 -0.03 -0.01 0.00 -0.00 0.00 0.00 40.66 40.72 2wqg h LEU 16 CO -0.01 0.64 -0.32 -0.07 -0.00 0.00 0.00 178.44 178.68 2wqg h LEU 17 N 0.08 -0.81 -1.00 0.17 3.38 -0.39 0.73 115.31 117.46 2wqg h LEU 17 Ca -0.00 0.05 -0.06 0.00 0.09 0.00 0.00 57.88 57.96 2wqg h LEU 17 Cb 0.99 0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.97 2wqg h LEU 17 CO 0.08 -0.50 0.05 0.00 0.09 0.00 0.00 178.44 178.16 2wqg h THR 18 N -0.78 1.23 0.00 0.22 1.03 -1.28 -0.98 112.91 112.35 2wqg h THR 18 Ca -0.05 -0.90 0.00 0.00 -0.01 0.00 0.00 66.41 65.45 2wqg h THR 18 Cb 0.65 0.80 0.00 0.00 -1.07 0.00 0.00 68.15 68.53 2wqg h THR 18 CO 0.04 0.32 0.00 0.29 -0.01 0.00 0.00 175.52 176.17 2wqg n LYS 19 N -4.25 0.09 0.00 0.00 5.02 -0.73 -2.69 118.16 115.60 2wqg n LYS 19 Ca 0.03 0.21 0.11 0.00 -2.02 0.00 0.00 58.31 56.64 2wqg n LYS 19 Cb 0.26 -1.64 0.15 0.00 -0.02 0.00 0.00 35.03 33.78 2wqg n LYS 19 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 2wqg n ARG 20 N -1.81 0.02 0.00 1.97 0.63 0.25 -4.94 116.66 112.79 2wqg n ARG 20 Ca 0.05 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.98 2wqg n ARG 20 Cb 0.29 -1.51 0.00 0.00 0.45 0.00 0.00 32.46 31.69 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 -1.53 0.00 -0.86 6.15 2.85 -1.08 -5.06 115.26 115.72 2wqg n ASN 21 Ca 0.05 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.52 2wqg n ASN 21 Cb 0.34 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.36 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 4.32 -0.66 -4.99 117.00 116.86 2wqg n LEU 22 Ca 0.00 0.00 -0.09 0.00 -0.02 0.00 0.00 56.01 55.90 2wqg n LEU 22 Cb 0.00 0.00 -0.03 0.00 -1.62 0.00 0.00 43.42 41.77 2wqg n LEU 22 CO 0.00 0.00 -0.06 -1.20 -1.22 0.00 0.00 177.39 174.91 2wqg n SER 23 N 0.00 1.04 0.00 -1.43 7.64 -1.26 -3.95 113.62 115.66 2wqg n SER 23 Ca 0.00 -1.76 0.00 0.00 1.01 0.00 0.00 58.87 58.12 2wqg n SER 23 Cb 0.00 0.36 0.00 0.00 -1.01 0.00 0.00 64.21 63.56 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 -0.32 0.03 -0.58 0.44 0.24 -1.26 -4.46 118.33 112.42 2wqg n VAL 24 Ca -0.02 -0.28 -0.12 0.00 -2.04 0.00 0.00 64.34 61.88 2wqg n VAL 24 Cb 0.22 1.44 -0.05 0.00 -1.47 0.00 0.00 33.84 33.97 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 2.46 0.00 7.63 0.00 -1.26 -4.00 105.19 110.00 2wqg n GLY 25 Ca 0.00 -0.68 0.00 0.00 0.00 0.00 0.00 46.02 45.34 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 3.24 0.32 0.00 -0.02 0.00 -1.26 -5.16 105.19 102.31 2wqg n GLY 26 Ca 0.30 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.32 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 -0.18 0.00 -0.04 0.99 -0.00 -1.26 -4.91 117.00 111.61 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 -0.48 -0.66 1.96 3.64 -1.95 2.55 116.57 121.63 2wqg h LYS 28 Ca 0.00 0.03 0.10 0.00 -1.27 0.00 0.00 60.65 59.51 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 -0.32 0.27 -2.95 -2.27 0.00 0.00 179.45 174.18 2wqg h ASN 29 N -0.49 0.30 0.25 4.20 -1.07 -1.96 0.37 115.58 117.17 2wqg h ASN 29 Ca 0.07 0.08 -0.07 0.00 0.07 0.00 0.00 56.30 56.45 2wqg h ASN 29 Cb 0.64 0.04 -0.01 0.00 -2.07 0.00 0.00 38.32 36.92 2wqg h ASN 29 CO -0.46 0.17 -0.29 -0.33 0.07 0.00 0.00 177.43 176.58 2wqg h GLU 30 N 0.47 0.08 -0.08 4.14 4.39 -1.43 -1.77 114.58 120.38 2wqg h GLU 30 Ca 0.33 -0.03 -0.05 0.00 0.34 0.00 0.00 59.36 59.95 2wqg h GLU 30 Cb 0.41 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.05 2wqg h GLU 30 CO -0.31 0.37 -0.16 -1.49 -1.16 0.00 0.00 179.01 176.27 2wqg h TRP 31 N 0.07 0.32 -0.65 4.33 6.55 0.79 0.41 115.95 127.78 2wqg h TRP 31 Ca 0.01 -0.11 -0.03 0.00 0.95 0.00 0.00 58.89 59.71 2wqg h TRP 31 Cb 0.56 -0.06 -0.03 0.00 -0.86 0.00 0.00 29.16 28.77 2wqg h TRP 31 CO 0.00 0.75 0.29 -0.24 -1.05 0.00 0.00 178.44 178.19 2wqg h VAL 32 N -0.21 1.22 -0.14 1.49 3.04 -0.33 0.24 116.25 121.55 2wqg h VAL 32 Ca 0.00 -0.64 -0.16 0.00 -1.01 0.00 0.00 66.70 64.89 2wqg h VAL 32 Cb 0.73 0.41 -0.01 0.00 -2.01 0.00 0.00 31.29 30.42 2wqg h VAL 32 CO 0.03 0.26 -0.59 1.56 -1.01 0.00 0.00 177.57 177.83 2wqg h GLN 33 N 0.92 0.46 -0.06 4.17 4.20 -1.26 0.58 115.11 124.12 2wqg h GLN 33 Ca 0.22 -0.31 -0.01 0.00 0.06 0.00 0.00 58.65 58.62 2wqg h GLN 33 Cb 0.13 0.04 -0.00 0.00 0.30 0.00 0.00 27.48 27.95 2wqg h GLN 33 CO -0.03 0.92 0.01 0.00 -0.67 0.00 0.00 178.83 179.06 2wqg h ARG 34 N 0.35 0.11 0.08 1.46 3.08 0.83 -0.61 114.38 119.68 2wqg h ARG 34 Ca -0.00 -0.03 -0.00 0.00 0.07 0.00 0.00 59.98 60.01 2wqg h ARG 34 Cb 1.13 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 31.17 2wqg h ARG 34 CO 0.10 0.34 -0.04 -0.07 -1.07 0.00 0.00 179.97 179.24 2wqg h LEU 35 N -0.15 -0.10 -0.99 3.04 3.38 -0.56 -0.19 115.31 119.74 2wqg h LEU 35 Ca 0.02 -0.35 0.16 0.00 0.09 0.00 0.00 57.88 57.80 2wqg h LEU 35 Cb 0.29 0.02 -0.10 0.00 0.09 0.00 0.00 40.66 40.97 2wqg h LEU 35 CO 0.00 0.31 0.61 0.40 0.09 0.00 0.00 178.44 179.85 2wqg h ILE 36 N -0.52 0.80 -0.04 1.22 2.04 -0.92 0.38 117.51 120.46 2wqg h ILE 36 Ca -0.01 -0.29 -0.14 0.00 1.00 0.00 0.00 64.86 65.42 2wqg h ILE 36 Cb 0.44 -0.13 -0.01 0.00 -0.74 0.00 0.00 36.82 36.37 2wqg h ILE 36 CO 0.02 0.16 -0.60 0.11 0.00 0.00 0.00 178.15 177.83 2wqg h LYS 37 N 0.85 0.14 -0.32 2.37 1.79 -1.01 -0.49 116.57 119.90 2wqg h LYS 37 Ca 0.54 -0.10 -0.10 0.00 -2.18 0.00 0.00 60.65 58.81 2wqg h LYS 37 Cb 0.71 0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 31.36 2wqg h LYS 37 CO -0.33 0.70 -0.19 0.22 -1.08 0.00 0.00 179.45 178.77 2wqg h ASP 38 N 0.11 0.73 0.88 0.86 1.82 0.15 -2.00 116.42 118.96 2wqg h ASP 38 Ca -0.01 -0.42 -0.12 0.00 -0.39 0.00 0.00 57.03 56.09 2wqg h ASP 38 Cb 1.09 -0.20 -0.02 0.00 0.68 0.00 0.00 39.33 40.88 2wqg h ASP 38 CO 0.09 0.99 -0.59 0.44 -1.61 0.00 0.00 179.24 178.56 2wqg h ASP 39 N 0.46 0.00 1.35 2.28 5.19 -0.58 -3.00 116.42 122.12 2wqg h ASP 39 Ca 0.07 0.00 -0.03 0.00 -0.62 0.00 0.00 57.03 56.45 2wqg h ASP 39 Cb 0.74 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 40.24 2wqg h ASP 39 CO 0.05 0.59 -0.13 -0.08 -3.12 0.00 0.00 179.24 176.56 2wqg h GLU 40 N 0.00 0.00 0.00 3.56 4.81 -0.95 -3.08 114.58 118.92 2wqg h GLU 40 Ca -0.01 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 2wqg h GLU 40 Cb 1.19 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.57 2wqg h GLU 40 CO 0.08 0.13 0.21 0.93 -0.73 0.00 0.00 179.01 179.62 2wqg h GLU 41 N 0.00 0.00 -1.84 1.92 4.39 -1.21 -3.17 114.58 114.67 2wqg h GLU 41 Ca -0.00 0.00 -0.45 0.00 0.34 0.00 0.00 59.36 59.25 2wqg h GLU 41 Cb 0.83 0.00 -0.31 0.00 -0.10 0.00 0.00 28.75 29.17 2wqg h GLU 41 CO 0.02 0.00 -0.84 0.43 -1.16 0.00 0.00 179.01 177.46 2wqg n SER 42 N -2.57 -1.36 -1.66 1.42 7.64 -1.16 -4.99 113.62 110.94 2wqg n SER 42 Ca -0.02 -2.60 -0.04 0.00 1.01 0.00 0.00 58.87 57.22 2wqg n SER 42 Cb 0.25 0.18 -0.04 0.00 -1.01 0.00 0.00 64.21 63.60 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 2.67 1.31 0.00 1.43 4.81 -1.20 -4.80 118.16 122.38 2wqg n LYS 43 Ca 0.25 -0.39 0.00 0.00 -0.87 0.00 0.00 58.31 57.30 2wqg n LYS 43 Cb 0.51 -1.29 0.00 0.00 0.02 0.00 0.00 35.03 34.27 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 1.62 1.73 3.04 3.14 0.00 -1.26 -5.17 105.19 108.28 2wqg n GLY 44 Ca 0.13 -0.28 -0.27 0.00 0.00 0.00 0.00 46.02 45.60 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 0.97 -3.08 1.61 4.71 -1.26 -4.77 120.64 118.81 2wqg n GLU 45 Ca 0.00 -3.06 -0.23 0.00 -0.01 0.00 0.00 57.16 53.86 2wqg n GLU 45 Cb 0.00 0.78 0.04 0.00 -1.01 0.00 0.00 31.44 31.25 2wqg n GLU 45 CO 0.00 0.00 0.00 0.45 0.09 0.00 0.00 177.13 177.67 2wqg n SER 46 N -1.30 -6.20 0.11 1.62 2.88 -1.26 -4.77 113.62 104.70 2wqg n SER 46 Ca -0.16 -0.32 0.00 0.00 -1.33 0.00 0.00 58.87 57.06 2wqg n SER 46 Cb 0.53 -4.99 0.00 0.00 -0.75 0.00 0.00 64.21 59.01 2wqg n SER 46 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 2wqg n GLU 47 N -4.15 0.00 -2.47 -1.46 2.13 -1.26 -4.95 120.64 108.48 2wqg n GLU 47 Ca -0.10 0.00 -0.41 0.00 0.66 0.00 0.00 57.16 57.31 2wqg n GLU 47 Cb 0.62 0.00 0.02 0.00 0.27 0.00 0.00 31.44 32.34 2wqg n GLU 47 CO 0.00 0.00 0.00 1.55 -0.41 0.00 0.00 177.13 178.27 2wqg n VAL 48 N -3.12 5.81 -4.36 6.31 3.14 -1.26 -4.96 118.33 119.89 2wqg n VAL 48 Ca 0.00 -5.56 -0.19 0.00 -2.96 0.00 0.00 64.34 55.64 2wqg n VAL 48 Cb 0.00 -1.63 -0.10 0.00 -1.06 0.00 0.00 33.84 31.05 2wqg n VAL 48 CO 0.00 0.00 0.00 -0.44 -6.46 0.00 0.00 176.83 169.93 2wqg s SER 49 N -0.98 1.62 0.56 6.55 0.01 -1.26 -5.03 113.70 115.17 2wqg s SER 49 Ca 0.43 -1.44 0.29 0.00 1.31 0.00 0.00 55.95 56.54 2wqg s SER 49 Cb 0.20 0.18 1.46 0.00 0.21 0.00 0.00 66.02 68.08 2wqg s SER 49 CO -0.14 -0.75 1.90 -0.65 0.41 0.00 0.00 173.24 174.02 2wqg h PRO 50 N 2.25 0.00 0.00 12.44 0.11 -2.03 -3.52 132.00 141.25 2wqg h PRO 50 Ca -0.38 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.73 2wqg h PRO 50 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 2wqg h PRO 50 CO 0.61 0.00 0.00 1.04 -0.21 0.00 0.00 178.00 179.44