#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wqg s SER 2 N 0.00 7.00 0.52 1.61 0.01 -1.26 -4.85 113.70 116.73 2wqg s SER 2 Ca 0.00 2.01 0.00 0.00 1.31 0.00 0.00 55.95 59.27 2wqg s SER 2 Cb 0.00 -2.59 0.00 0.00 0.21 0.00 0.00 66.02 63.64 2wqg s SER 2 CO 0.00 -0.32 0.00 0.00 0.41 0.00 0.00 173.24 173.33 2wqg n ALA 3 N 0.29 -2.79 -2.39 1.44 0.00 -1.26 -4.94 120.51 110.85 2wqg n ALA 3 Ca 0.03 0.65 -0.03 0.00 0.00 0.00 0.00 53.44 54.09 2wqg n ALA 3 Cb 0.49 -1.39 0.03 0.00 0.00 0.00 0.00 19.45 18.58 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 -3.54 -0.77 0.08 0.00 2.03 -1.26 -4.94 116.55 108.15 2wqg n ASP 4 Ca -0.05 -2.09 0.21 0.00 0.52 0.00 0.00 54.79 53.38 2wqg n ASP 4 Cb 0.52 0.33 0.74 0.00 -0.72 0.00 0.00 41.12 41.99 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 0.73 0.00 -0.41 -0.67 0.05 -1.92 -0.03 116.97 114.72 2wqg h TYR 5 Ca -0.45 0.00 0.12 0.00 0.05 0.00 0.00 58.73 58.45 2wqg h TYR 5 Cb 1.40 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 39.12 2wqg h TYR 5 CO -0.04 0.00 0.53 1.03 -1.05 0.00 0.00 178.16 178.63 2wqg h SER 6 N 0.00 0.00 0.09 3.88 0.87 -1.92 0.38 113.55 116.86 2wqg h SER 6 Ca 0.20 0.00 -0.23 0.00 -1.23 0.00 0.00 61.79 60.53 2wqg h SER 6 Cb 1.09 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 63.00 2wqg h SER 6 CO -0.00 0.00 -2.14 -1.54 -0.53 0.00 0.00 176.83 172.62 2wqg n SER 7 N -3.49 0.12 -3.43 6.23 3.41 -0.03 -4.97 113.62 111.47 2wqg n SER 7 Ca 0.07 0.05 0.00 0.00 -0.26 0.00 0.00 58.87 58.74 2wqg n SER 7 Cb 0.70 1.19 0.00 0.00 -0.26 0.00 0.00 64.21 65.84 2wqg n SER 7 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2wqg n LEU 8 N -2.62 0.00 -4.59 1.04 4.32 0.13 -5.04 117.00 110.24 2wqg n LEU 8 Ca -0.21 0.00 -0.24 0.00 -0.02 0.00 0.00 56.01 55.55 2wqg n LEU 8 Cb 0.93 0.00 -0.08 0.00 -1.62 0.00 0.00 43.42 42.65 2wqg n LEU 8 CO 0.44 -0.93 -0.37 0.28 -1.22 0.00 0.00 177.39 175.58 2wqg s THR 9 N -0.41 3.19 0.40 -5.08 -1.32 -1.26 -5.02 115.64 106.14 2wqg s THR 9 Ca 0.00 -2.00 0.08 0.00 -1.21 0.00 0.00 61.69 58.56 2wqg s THR 9 Cb 0.00 -2.68 0.20 0.00 -1.51 0.00 0.00 72.50 68.51 2wqg s THR 9 CO 0.00 -0.35 1.97 -0.37 -2.21 0.00 0.00 174.62 173.66 2wqg h VAL 10 N 2.08 1.14 -0.26 5.08 -1.51 -1.96 0.62 116.25 121.45 2wqg h VAL 10 Ca -0.44 -0.54 -0.07 0.00 -1.23 0.00 0.00 66.70 64.42 2wqg h VAL 10 Cb 1.25 0.94 -0.01 0.00 -2.13 0.00 0.00 31.29 31.34 2wqg h VAL 10 CO 0.59 0.19 -0.11 -0.37 -1.23 0.00 0.00 177.57 176.64 2wqg h VAL 11 N 0.35 1.29 -0.13 7.19 -1.51 -1.99 -1.95 116.25 119.51 2wqg h VAL 11 Ca 0.08 -1.17 -0.19 0.00 -1.23 0.00 0.00 66.70 64.19 2wqg h VAL 11 Cb 0.21 1.50 0.01 0.00 -2.13 0.00 0.00 31.29 30.88 2wqg h VAL 11 CO 0.00 0.37 -0.65 1.56 -1.23 0.00 0.00 177.57 177.62 2wqg h GLN 12 N 0.28 0.67 0.19 5.19 7.50 -1.92 -1.01 115.11 126.01 2wqg h GLN 12 Ca 0.06 -0.55 0.01 0.00 0.50 0.00 0.00 58.65 58.67 2wqg h GLN 12 Cb 0.60 0.11 -0.03 0.00 0.05 0.00 0.00 27.48 28.22 2wqg h GLN 12 CO 0.03 1.17 -0.27 -0.07 -1.50 0.00 0.00 178.83 178.19 2wqg h LEU 13 N 0.34 -0.73 -0.69 1.46 4.07 -0.89 0.21 115.31 119.09 2wqg h LEU 13 Ca -0.05 0.08 -0.14 0.00 0.08 0.00 0.00 57.88 57.85 2wqg h LEU 13 Cb 1.29 0.27 -0.01 0.00 1.08 0.00 0.00 40.66 43.29 2wqg h LEU 13 CO 0.14 -0.37 -0.54 0.07 -1.08 0.00 0.00 178.44 176.66 2wqg h LYS 14 N -0.52 0.33 0.02 1.13 2.10 -1.43 -0.20 116.57 118.00 2wqg h LYS 14 Ca 0.01 -0.20 -0.00 0.00 -2.00 0.00 0.00 60.65 58.46 2wqg h LYS 14 Cb 0.51 0.02 0.00 0.00 -0.90 0.00 0.00 32.23 31.86 2wqg h LYS 14 CO -0.10 0.78 -0.01 0.22 -2.00 0.00 0.00 179.45 178.34 2wqg h ASP 15 N 0.26 -0.02 0.26 7.07 1.82 -0.85 -1.30 116.42 123.65 2wqg h ASP 15 Ca 0.01 -0.12 -0.08 0.00 -0.39 0.00 0.00 57.03 56.44 2wqg h ASP 15 Cb 1.03 0.01 -0.01 0.00 0.68 0.00 0.00 39.33 41.03 2wqg h ASP 15 CO 0.09 0.10 -0.34 0.17 -1.61 0.00 0.00 179.24 177.65 2wqg h LEU 16 N -0.15 0.13 0.51 2.28 -0.00 -0.57 -1.99 115.31 115.52 2wqg h LEU 16 Ca -0.00 -0.05 -0.02 0.00 -0.00 0.00 0.00 57.88 57.81 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 0.47 -0.31 -0.07 -0.00 0.00 0.00 178.44 178.54 2wqg h LEU 17 N 0.12 -0.78 -1.19 0.17 3.38 -0.46 0.72 115.31 117.27 2wqg h LEU 17 Ca 0.01 0.05 -0.06 0.00 0.09 0.00 0.00 57.88 57.97 2wqg h LEU 17 Cb 0.67 0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.63 2wqg h LEU 17 CO 0.05 -0.49 -0.06 0.00 0.09 0.00 0.00 178.44 178.03 2wqg h THR 18 N -0.78 1.21 0.00 0.22 1.03 -1.21 -0.67 112.91 112.70 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 0.64 1.04 0.00 0.00 -1.07 0.00 0.00 68.15 68.75 2wqg h THR 18 CO 0.06 0.29 0.00 0.29 -0.01 0.00 0.00 175.52 176.15 2wqg n LYS 19 N -4.25 0.19 0.04 0.00 4.01 -0.76 -2.79 118.16 114.61 2wqg n LYS 19 Ca 0.01 0.28 0.12 0.00 -0.51 0.00 0.00 58.31 58.21 2wqg n LYS 19 Cb 0.28 -1.79 0.20 0.00 -0.51 0.00 0.00 35.03 33.21 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 -2.14 0.20 0.00 1.97 0.63 0.25 -4.93 116.66 112.64 2wqg n ARG 20 Ca 0.04 0.06 0.00 0.00 -0.92 0.00 0.00 57.85 57.03 2wqg n ARG 20 Cb 0.32 -1.63 0.00 0.00 0.45 0.00 0.00 32.46 31.61 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 -1.92 0.00 -1.69 6.15 2.85 -1.09 -5.06 115.26 114.50 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 0.41 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.43 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 -0.95 -5.00 117.00 117.01 2wqg n LEU 22 Ca 0.00 0.00 -0.16 0.00 -0.03 0.00 0.00 56.01 55.82 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 -0.09 -1.20 -1.33 0.00 0.00 177.39 174.77 2wqg n SER 23 N 0.00 0.04 0.00 -1.43 7.64 -1.26 -4.31 113.62 114.30 2wqg n SER 23 Ca 0.00 -2.59 0.00 0.00 1.01 0.00 0.00 58.87 57.29 2wqg n SER 23 Cb 0.00 1.06 0.00 0.00 -1.01 0.00 0.00 64.21 64.26 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 -0.53 0.12 -0.69 0.44 0.24 -1.26 -4.58 118.33 112.07 2wqg n VAL 24 Ca 0.02 -0.42 -0.23 0.00 -2.04 0.00 0.00 64.34 61.67 2wqg n VAL 24 Cb 0.44 1.17 -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 2.76 0.00 7.63 0.00 -1.26 -4.05 105.19 110.22 2wqg n GLY 25 Ca 0.00 -0.79 0.00 0.00 0.00 0.00 0.00 46.02 45.23 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 0.28 0.00 0.00 0.00 0.00 0.00 46.02 46.69 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 -0.02 0.00 -0.01 0.99 -0.00 -1.26 -4.92 117.00 111.78 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 -0.65 1.96 3.64 -1.95 2.62 116.57 121.66 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 31.87 2wqg h LYS 28 CO 0.00 -0.35 0.32 -2.95 -2.27 0.00 0.00 179.45 174.20 2wqg h ASN 29 N -0.54 0.42 0.33 4.20 -1.07 -1.96 0.27 115.58 117.23 2wqg h ASN 29 Ca 0.05 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 36.89 2wqg h ASN 29 CO -0.43 0.26 -0.28 -0.33 0.07 0.00 0.00 177.43 176.71 2wqg h GLU 30 N 0.57 0.00 -0.04 4.14 4.39 -1.53 -1.69 114.58 120.42 2wqg h GLU 30 Ca 0.31 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.98 2wqg h GLU 30 Cb 0.30 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.95 2wqg h GLU 30 CO -0.24 0.28 -0.09 -1.49 -1.16 0.00 0.00 179.01 176.31 2wqg h TRP 31 N 0.00 0.16 -0.53 4.33 6.55 0.77 -0.64 115.95 126.59 2wqg h TRP 31 Ca -0.00 -0.06 -0.01 0.00 0.95 0.00 0.00 58.89 59.76 2wqg h TRP 31 Cb 0.53 -0.03 -0.03 0.00 -0.86 0.00 0.00 29.16 28.77 2wqg h TRP 31 CO 0.00 0.68 0.27 -0.24 -1.05 0.00 0.00 178.44 178.10 2wqg h VAL 32 N -0.40 1.17 0.07 1.49 3.04 -0.55 0.22 116.25 121.28 2wqg h VAL 32 Ca 0.00 -0.46 -0.00 0.00 -1.01 0.00 0.00 66.70 65.23 2wqg h VAL 32 Cb 0.67 0.48 0.00 0.00 -2.01 0.00 0.00 31.29 30.44 2wqg h VAL 32 CO 0.02 0.19 -0.03 1.56 -1.01 0.00 0.00 177.57 178.30 2wqg h GLN 33 N 0.73 -0.08 -0.56 4.17 1.08 -1.25 0.56 115.11 119.75 2wqg h GLN 33 Ca 0.19 0.01 -0.06 0.00 -1.45 0.00 0.00 58.65 57.33 2wqg h GLN 33 Cb 0.05 0.02 -0.02 0.00 -0.05 0.00 0.00 27.48 27.48 2wqg h GLN 33 CO -0.03 0.24 0.13 0.07 -0.95 0.00 0.00 178.83 178.30 2wqg h ARG 34 N -0.42 0.91 0.17 1.46 0.11 -0.80 -0.94 114.38 114.87 2wqg h ARG 34 Ca -0.01 -0.22 -0.01 0.00 0.10 0.00 0.00 59.98 59.84 2wqg h ARG 34 Cb 0.37 -0.12 0.00 0.00 1.11 0.00 0.00 29.97 31.33 2wqg h ARG 34 CO 0.01 0.85 -0.08 -0.07 0.10 0.00 0.00 179.97 180.78 2wqg h LEU 35 N 0.81 -0.19 -1.26 0.08 3.38 -0.57 0.33 115.31 117.89 2wqg h LEU 35 Ca 0.18 -0.08 0.12 0.00 0.09 0.00 0.00 57.88 58.19 2wqg h LEU 35 Cb 0.35 0.05 -0.07 0.00 0.09 0.00 0.00 40.66 41.09 2wqg h LEU 35 CO 0.00 -0.04 0.57 0.40 0.09 0.00 0.00 178.44 179.46 2wqg h ILE 36 N -0.33 0.89 -0.04 1.22 2.04 -0.79 0.34 117.51 120.84 2wqg h ILE 36 Ca -0.02 -0.26 -0.14 0.00 1.00 0.00 0.00 64.86 65.43 2wqg h ILE 36 Cb 0.26 0.06 -0.01 0.00 -0.74 0.00 0.00 36.82 36.39 2wqg h ILE 36 CO 0.04 0.14 -0.63 0.50 0.00 0.00 0.00 178.15 178.20 2wqg h LYS 37 N 0.76 0.14 -0.23 2.37 1.63 -0.70 -0.37 116.57 120.17 2wqg h LYS 37 Ca 0.43 -0.10 -0.07 0.00 -0.85 0.00 0.00 60.65 60.06 2wqg h LYS 37 Cb 0.59 0.02 -0.01 0.00 -0.60 0.00 0.00 32.23 32.23 2wqg h LYS 37 CO -0.19 0.72 -0.13 0.22 -3.45 0.00 0.00 179.45 176.62 2wqg h ASP 38 N 0.10 0.51 0.78 4.20 1.82 0.34 -1.18 116.42 122.99 2wqg h ASP 38 Ca -0.01 -0.42 -0.13 0.00 -0.39 0.00 0.00 57.03 56.08 2wqg h ASP 38 Cb 1.13 -0.14 -0.02 0.00 0.68 0.00 0.00 39.33 40.98 2wqg h ASP 38 CO 0.09 0.82 -0.60 0.44 -1.61 0.00 0.00 179.24 178.38 2wqg h ASP 39 N 0.19 0.00 1.55 2.28 5.19 -0.76 -2.99 116.42 121.88 2wqg h ASP 39 Ca 0.05 0.00 -0.03 0.00 -0.62 0.00 0.00 57.03 56.43 2wqg h ASP 39 Cb 0.64 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 40.14 2wqg h ASP 39 CO 0.04 0.60 -0.14 -0.33 -3.12 0.00 0.00 179.24 176.28 2wqg h GLU 40 N 0.00 0.00 0.00 3.56 4.39 -0.96 -2.51 114.58 119.06 2wqg h GLU 40 Ca -0.01 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.69 2wqg h GLU 40 Cb 1.15 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.80 2wqg h GLU 40 CO 0.08 0.14 0.36 0.93 -1.16 0.00 0.00 179.01 179.36 2wqg h GLU 41 N 0.00 0.00 0.00 2.33 5.08 -1.05 -1.63 114.58 119.31 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 -0.22 0.45 -1.00 0.00 0.00 179.01 178.26 2wqg n SER 42 N -2.71 0.00 -2.13 1.42 2.88 -1.21 -4.91 113.62 106.97 2wqg n SER 42 Ca -0.02 -1.44 -0.11 0.00 -1.33 0.00 0.00 58.87 55.97 2wqg n SER 42 Cb 0.40 -0.09 -0.02 0.00 -0.75 0.00 0.00 64.21 63.76 2wqg n SER 42 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 2wqg n LYS 43 N 0.00 -2.02 0.00 -1.46 4.81 -0.61 -4.15 118.16 114.72 2wqg n LYS 43 Ca 0.00 0.55 0.00 0.00 -0.87 0.00 0.00 58.31 57.99 2wqg n LYS 43 Cb 0.59 -5.02 0.00 0.00 0.02 0.00 0.00 35.03 30.62 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 -0.60 0.59 3.70 3.14 0.00 -0.97 -5.01 105.19 106.04 2wqg n GLY 44 Ca -0.12 -0.83 -0.30 0.00 0.00 0.00 0.00 46.02 44.78 2wqg n GLY 44 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2wqg s GLU 45 N 0.00 1.00 -0.20 1.61 4.04 -1.26 -4.89 118.70 119.00 2wqg s GLU 45 Ca 0.00 0.79 -0.28 0.00 0.04 0.00 0.00 54.97 55.52 2wqg s GLU 45 Cb 0.00 -1.78 -0.05 0.00 0.02 0.00 0.00 34.13 32.32 2wqg s GLU 45 CO 0.00 -2.41 2.14 0.45 -1.84 0.00 0.00 175.26 173.60 2wqg s SER 46 N -3.36 5.62 -0.10 0.83 0.15 -1.26 -4.77 113.70 110.81 2wqg s SER 46 Ca 0.64 1.91 0.08 0.00 0.70 0.00 0.00 55.95 59.28 2wqg s SER 46 Cb -0.19 -2.51 -0.12 0.00 -1.71 0.00 0.00 66.02 61.49 2wqg s SER 46 CO 0.57 -1.83 0.01 1.21 1.20 0.00 0.00 173.24 174.41 2wqg n GLU 47 N 8.57 2.09 -3.37 5.44 2.13 -1.26 -5.03 120.64 129.21 2wqg n GLU 47 Ca 0.28 0.01 -0.19 0.00 0.66 0.00 0.00 57.16 57.91 2wqg n GLU 47 Cb 0.45 -1.26 -0.00 0.00 0.27 0.00 0.00 31.44 30.90 2wqg n GLU 47 CO 0.00 0.00 0.00 0.14 -0.41 0.00 0.00 177.13 176.86 2wqg s VAL 48 N -2.24 4.00 0.26 6.31 -7.23 -1.26 -5.12 120.40 115.12 2wqg s VAL 48 Ca -0.07 -0.92 -0.02 0.00 -1.81 0.00 0.00 61.98 59.17 2wqg s VAL 48 Cb 0.03 -3.40 -0.04 0.00 0.56 0.00 0.00 36.38 33.53 2wqg s VAL 48 CO 0.39 -0.17 0.48 -0.94 -0.31 0.00 0.00 175.10 174.55 2wqg s SER 49 N -4.19 6.39 -0.62 4.85 1.04 -1.26 -4.97 113.70 114.95 2wqg s SER 49 Ca 0.46 0.53 -0.18 0.00 0.48 0.00 0.00 55.95 57.24 2wqg s SER 49 Cb -0.10 -2.06 -0.15 0.00 0.10 0.00 0.00 66.02 63.81 2wqg s SER 49 CO 0.32 -0.15 1.83 -0.81 0.98 0.00 0.00 173.24 175.42 2wqg n PRO 50 N -0.97 1.27 0.00 4.02 -0.04 -1.26 -5.27 135.00 132.75 2wqg n PRO 50 Ca -0.04 -1.50 0.00 0.00 -0.04 0.00 0.00 63.50 61.92 2wqg n PRO 50 Cb 0.54 -2.66 0.00 0.00 -0.04 0.00 0.00 33.50 31.34 2wqg n PRO 50 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40