#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cbh s GLN 2 N 0.00 1.36 0.42 -0.78 2.00 0.16 -4.82 119.66 118.01 2cbh s GLN 2 Ca 0.00 -1.62 0.08 0.00 -2.00 0.00 0.00 55.36 51.82 2cbh s GLN 2 Cb 0.00 -1.13 0.00 0.00 0.80 0.00 0.00 33.01 32.68 2cbh s GLN 2 CO 0.00 0.17 0.53 -1.54 -0.50 0.00 0.00 175.29 173.95 2cbh s SER 3 N -3.34 5.49 0.60 6.67 1.04 -1.26 0.16 113.70 123.06 2cbh s SER 3 Ca 0.24 -0.52 -0.18 0.00 0.48 0.00 0.00 55.95 55.97 2cbh s SER 3 Cb -0.00 -0.61 -0.06 0.00 0.10 0.00 0.00 66.02 65.45 2cbh s SER 3 CO 0.08 -0.75 0.74 1.57 0.98 0.00 0.00 173.24 175.86 2cbh n HIS 4 N -1.79 0.05 -0.98 5.02 -0.00 -1.26 0.18 115.22 116.45 2cbh n HIS 4 Ca 0.07 0.43 -0.03 0.00 -0.00 0.00 0.00 57.72 58.19 2cbh n HIS 4 Cb 0.60 -2.04 -0.01 0.00 -0.00 0.00 0.00 29.99 28.53 2cbh n HIS 4 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.34 177.00 2cbh n TYR 5 N -1.78 -0.03 -3.04 1.57 4.01 0.99 -4.91 117.16 113.97 2cbh n TYR 5 Ca 0.13 0.00 -0.28 0.00 -0.16 0.00 0.00 57.90 57.58 2cbh n TYR 5 Cb 0.48 -2.04 -0.02 0.00 -0.31 0.00 0.00 39.34 37.45 2cbh n TYR 5 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 2cbh s GLY 6 N -1.86 1.75 -0.44 2.72 0.00 0.13 -4.49 107.32 105.14 2cbh s GLY 6 Ca 0.00 -0.47 -0.29 0.00 0.00 0.00 0.00 44.72 43.96 2cbh s GLY 6 CO 0.00 -0.33 1.33 1.62 0.00 0.00 0.00 173.10 175.72 2cbh s GLN 7 N -3.97 3.60 -0.02 2.90 0.74 -1.26 0.06 119.66 121.71 2cbh s GLN 7 Ca 0.46 0.80 0.20 0.00 0.05 0.00 0.00 55.36 56.88 2cbh s GLN 7 Cb -0.10 -4.00 -0.24 0.00 1.10 0.00 0.00 33.01 29.77 2cbh s GLN 7 CO 0.34 -1.54 0.53 0.00 -0.55 0.00 0.00 175.29 174.07 2cbh n GLY 9 N 1.37 2.03 0.00 0.00 0.00 -1.12 -4.06 105.19 103.40 2cbh n GLY 9 Ca -0.10 -1.61 0.00 0.00 0.00 0.00 0.00 46.02 44.31 2cbh n GLY 9 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2cbh n GLY 10 N -0.60 3.99 3.48 -0.02 0.00 -1.26 0.01 105.19 110.79 2cbh n GLY 10 Ca 0.00 -0.88 -0.39 0.00 0.00 0.00 0.00 46.02 44.75 2cbh n GLY 10 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2cbh n ILE 11 N 0.00 2.19 -0.74 -0.61 5.41 -1.26 -1.01 119.36 123.34 2cbh n ILE 11 Ca 0.00 -0.50 0.00 0.00 1.00 0.00 0.00 62.75 63.25 2cbh n ILE 11 Cb 0.00 -0.70 0.00 0.00 -0.71 0.00 0.00 39.64 38.23 2cbh n ILE 11 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2cbh n GLY 12 N 1.72 0.98 3.80 7.39 0.00 -1.26 -4.77 105.19 113.05 2cbh n GLY 12 Ca 0.11 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.79 2cbh n GLY 12 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2cbh s TYR 13 N -3.13 3.46 -0.29 1.61 5.04 -0.18 -4.99 117.35 118.86 2cbh s TYR 13 Ca 0.00 1.68 0.19 0.00 -2.44 0.00 0.00 57.07 56.50 2cbh s TYR 13 Cb 0.00 -2.90 0.48 0.00 0.35 0.00 0.00 41.96 39.89 2cbh s TYR 13 CO 0.00 -0.02 1.06 -1.13 -1.34 0.00 0.00 175.55 174.12 2cbh n SER 14 N -0.12 1.98 -4.08 4.32 3.41 -1.26 -5.01 113.62 112.86 2cbh n SER 14 Ca 0.05 -2.50 -0.22 0.00 -0.26 0.00 0.00 58.87 55.94 2cbh n SER 14 Cb 0.52 -0.49 -0.09 0.00 -0.26 0.00 0.00 64.21 63.90 2cbh n SER 14 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2cbh s GLY 15 N -3.53 2.27 0.92 5.00 0.00 -1.26 -5.14 107.32 105.58 2cbh s GLY 15 Ca 0.30 -1.62 -0.10 0.00 0.00 0.00 0.00 44.72 43.30 2cbh s GLY 15 CO -0.01 -1.70 1.13 2.56 0.00 0.00 0.00 173.10 175.08 2cbh s PRO 16 N -3.78 0.96 -0.14 2.90 0.04 -1.26 -4.96 135.00 128.76 2cbh s PRO 16 Ca 0.32 1.47 0.17 0.00 0.04 0.00 0.00 61.00 62.99 2cbh s PRO 16 Cb 0.05 -1.73 0.30 0.00 0.04 0.00 0.00 34.50 33.16 2cbh s PRO 16 CO 0.16 -2.65 1.16 0.25 0.04 0.00 0.00 177.00 175.97 2cbh n THR 17 N -4.24 1.84 -3.63 1.26 -2.24 -1.26 -4.66 114.28 101.35 2cbh n THR 17 Ca 0.11 -2.33 -0.39 0.00 -2.27 0.00 0.00 64.05 59.17 2cbh n THR 17 Cb 0.52 -0.19 -0.11 0.00 -2.10 0.00 0.00 70.33 68.45 2cbh n THR 17 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 2cbh s VAL 18 N -2.78 4.58 0.53 2.28 1.01 -1.26 -4.88 120.40 119.88 2cbh s VAL 18 Ca 0.32 -0.60 -0.20 0.00 0.00 0.00 0.00 61.98 61.51 2cbh s VAL 18 Cb 0.28 -3.42 -0.06 0.00 0.00 0.00 0.00 36.38 33.18 2cbh s VAL 18 CO 0.01 -0.05 1.11 0.00 0.00 0.00 0.00 175.10 176.17 2cbh n ALA 20 N -1.25 0.73 -1.45 0.00 0.00 0.43 -4.69 120.51 114.27 2cbh n ALA 20 Ca 0.11 0.32 -0.47 0.00 0.00 0.00 0.00 53.44 53.40 2cbh n ALA 20 Cb 0.51 -2.17 -0.03 0.00 0.00 0.00 0.00 19.45 17.77 2cbh n ALA 20 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2cbh n SER 21 N 0.69 -0.63 0.00 0.00 7.64 -1.26 -1.35 113.62 118.71 2cbh n SER 21 Ca 0.07 1.14 0.00 0.00 1.01 0.00 0.00 58.87 61.09 2cbh n SER 21 Cb 0.37 -1.03 0.00 0.00 -1.01 0.00 0.00 64.21 62.54 2cbh n SER 21 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2cbh n GLY 22 N 1.82 3.06 3.62 0.23 0.00 -1.26 -5.04 105.19 107.61 2cbh n GLY 22 Ca 0.16 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.92 2cbh n GLY 22 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2cbh s THR 23 N -2.86 2.27 0.32 2.61 -4.23 -0.46 -5.08 115.64 108.22 2cbh s THR 23 Ca 0.00 -2.01 0.03 0.00 -1.18 0.00 0.00 61.69 58.54 2cbh s THR 23 Cb 0.00 -2.85 -0.01 0.00 1.34 0.00 0.00 72.50 70.98 2cbh s THR 23 CO 0.00 -0.11 0.12 0.35 -0.54 0.00 0.00 174.62 174.44 2cbh n THR 24 N -0.96 0.00 -3.79 3.99 -2.24 -1.26 -4.70 114.28 105.33 2cbh n THR 24 Ca -0.04 -1.90 -0.36 0.00 -2.27 0.00 0.00 64.05 59.48 2cbh n THR 24 Cb 0.64 0.69 -0.10 0.00 -2.10 0.00 0.00 70.33 69.47 2cbh n THR 24 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2cbh s GLN 26 N 0.92 2.28 0.56 0.00 1.11 0.10 -4.91 119.66 119.72 2cbh s GLN 26 Ca 0.06 -0.56 -0.21 0.00 0.01 0.00 0.00 55.36 54.65 2cbh s GLN 26 Cb -0.13 -2.04 -0.04 0.00 -1.01 0.00 0.00 33.01 29.78 2cbh s GLN 26 CO 0.03 -0.17 1.36 0.08 0.01 0.00 0.00 175.29 176.60 2cbh s VAL 27 N 1.31 2.03 -0.07 1.09 1.01 -1.26 -0.73 120.40 123.78 2cbh s VAL 27 Ca 0.01 0.02 -0.08 0.00 0.00 0.00 0.00 61.98 61.93 2cbh s VAL 27 Cb -0.14 -3.01 -0.04 0.00 0.00 0.00 0.00 36.38 33.20 2cbh s VAL 27 CO -0.07 -0.00 -0.17 -0.11 0.00 0.00 0.00 175.10 174.75 2cbh n LEU 28 N -1.12 1.29 -3.96 3.92 -0.00 0.38 -4.66 117.00 112.85 2cbh n LEU 28 Ca 0.11 0.20 -0.11 0.00 -0.00 0.00 0.00 56.01 56.21 2cbh n LEU 28 Cb 0.45 -0.47 -0.02 0.00 -0.00 0.00 0.00 43.42 43.38 2cbh n LEU 28 CO 0.53 -0.24 0.31 0.20 -0.00 0.00 0.00 177.39 178.19 2cbh s ASN 29 N -6.04 0.41 0.00 1.96 0.01 0.32 -4.98 114.94 106.62 2cbh s ASN 29 Ca -0.15 -1.26 0.00 0.00 -0.71 0.00 0.00 52.86 50.73 2cbh s ASN 29 Cb 0.04 0.74 0.00 0.00 0.41 0.00 0.00 41.25 42.43 2cbh s ASN 29 CO 0.21 -1.44 0.28 -2.65 -1.51 0.00 0.00 177.10 171.99 2cbh n PRO 30 N -0.53 0.42 -0.20 -0.60 -0.02 -1.26 -1.73 135.00 131.08 2cbh n PRO 30 Ca -0.03 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.45 2cbh n PRO 30 Cb 0.61 -1.24 0.00 0.00 -0.02 0.00 0.00 33.50 32.85 2cbh n PRO 30 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 2cbh n TYR 31 N 0.46 0.00 -3.56 6.00 4.02 -1.26 -4.08 117.16 118.74 2cbh n TYR 31 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.89 2cbh n TYR 31 Cb 0.14 0.12 -0.06 0.00 -0.02 0.00 0.00 39.34 39.53 2cbh n TYR 31 CO 0.00 0.00 0.00 -0.47 -1.01 0.00 0.00 176.86 175.38 2cbh s TYR 32 N 0.00 -0.43 -0.19 -0.72 5.04 -0.70 -4.39 117.35 115.96 2cbh s TYR 32 Ca 0.00 0.82 0.00 0.00 -2.44 0.00 0.00 57.07 55.45 2cbh s TYR 32 Cb 0.00 0.26 0.04 0.00 0.35 0.00 0.00 41.96 42.61 2cbh s TYR 32 CO 0.00 -0.21 -0.07 -1.12 -1.34 0.00 0.00 175.55 172.81 2cbh s SER 33 N 1.54 3.16 0.52 4.32 0.01 0.10 -0.47 113.70 122.89 2cbh s SER 33 Ca -0.07 -0.81 -0.07 0.00 1.31 0.00 0.00 55.95 56.31 2cbh s SER 33 Cb -0.03 -1.05 -0.04 0.00 0.21 0.00 0.00 66.02 65.11 2cbh s SER 33 CO -0.14 -0.18 0.86 -1.58 0.41 0.00 0.00 173.24 172.61 2cbh s GLN 34 N 1.53 3.57 -0.23 12.44 0.74 0.09 -1.12 119.66 136.68 2cbh s GLN 34 Ca -0.01 0.38 -0.10 0.00 0.05 0.00 0.00 55.36 55.68 2cbh s GLN 34 Cb -0.16 -2.29 -0.05 0.00 1.10 0.00 0.00 33.01 31.62 2cbh s GLN 34 CO -0.08 -0.31 0.14 0.00 -0.55 0.00 0.00 175.29 174.50