#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 2.18 0.43 -0.78 2.00 0.70 -4.97 119.66 119.21 2cbh s GLN 2 Ca 0.00 -0.96 0.02 0.00 -2.00 0.00 0.00 55.36 52.42 2cbh s GLN 2 Cb 0.00 -2.31 -0.00 0.00 0.80 0.00 0.00 33.01 31.50 2cbh s GLN 2 CO 0.00 0.53 0.63 -1.12 -0.50 0.00 0.00 175.29 174.83 2cbh s SER 3 N -1.85 5.85 0.95 6.67 0.01 -1.26 -0.13 113.70 123.95 2cbh s SER 3 Ca 0.19 0.17 -0.16 0.00 1.31 0.00 0.00 55.95 57.46 2cbh s SER 3 Cb -0.11 -1.45 -0.08 0.00 0.21 0.00 0.00 66.02 64.59 2cbh s SER 3 CO 0.10 -0.65 -0.31 1.57 0.41 0.00 0.00 173.24 174.36 2cbh n HIS 4 N -1.98 -3.68 -1.18 2.43 -0.00 -1.26 -0.54 115.22 109.01 2cbh n HIS 4 Ca 0.01 0.09 -0.07 0.00 -0.00 0.00 0.00 57.72 57.74 2cbh n HIS 4 Cb 0.58 -1.58 -0.03 0.00 -0.00 0.00 0.00 29.99 28.96 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 -2.84 -0.58 -3.73 1.57 4.01 -0.02 -4.89 117.16 110.68 2cbh n TYR 5 Ca 0.02 0.00 -0.27 0.00 -0.16 0.00 0.00 57.90 57.48 2cbh n TYR 5 Cb 0.55 -1.89 -0.03 0.00 -0.31 0.00 0.00 39.34 37.65 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 -1.62 1.80 -0.50 2.72 0.00 0.30 -4.68 107.32 105.35 2cbh s GLY 6 Ca 0.00 -0.85 -0.29 0.00 0.00 0.00 0.00 44.72 43.59 2cbh s GLY 6 CO 0.00 -0.81 1.26 1.62 0.00 0.00 0.00 173.10 175.17 2cbh s GLN 7 N -3.28 3.58 0.04 2.90 0.74 -1.26 0.13 119.66 122.51 2cbh s GLN 7 Ca 0.38 0.58 0.18 0.00 0.05 0.00 0.00 55.36 56.55 2cbh s GLN 7 Cb -0.11 -3.99 -0.16 0.00 1.10 0.00 0.00 33.01 29.85 2cbh s GLN 7 CO 0.29 -1.58 0.72 0.00 -0.55 0.00 0.00 175.29 174.17 2cbh n GLY 9 N 1.39 4.06 0.00 0.00 0.00 -1.04 -4.02 105.19 105.58 2cbh n GLY 9 Ca -0.10 -0.96 0.00 0.00 0.00 0.00 0.00 46.02 44.95 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 0.00 3.11 3.33 -0.02 0.00 -1.26 -1.98 105.19 108.37 2cbh n GLY 10 Ca 0.00 -1.26 -0.43 0.00 0.00 0.00 0.00 46.02 44.33 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 0.91 0.99 -0.78 -0.61 5.41 -1.25 0.09 119.36 124.12 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 -0.04 0.00 0.00 -0.71 0.00 0.00 39.64 38.89 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 2.23 0.90 3.43 7.39 0.00 -1.26 -4.76 105.19 113.12 2cbh n GLY 12 Ca 0.13 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.71 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 -3.16 2.86 -0.96 1.61 5.04 0.11 -4.92 117.35 117.94 2cbh s TYR 13 Ca 0.00 -0.66 -0.03 0.00 -2.44 0.00 0.00 57.07 53.93 2cbh s TYR 13 Cb 0.00 -4.06 0.21 0.00 0.35 0.00 0.00 41.96 38.47 2cbh s TYR 13 CO 0.00 -1.40 2.24 -1.13 -1.34 0.00 0.00 175.55 173.92 2cbh n SER 14 N 6.93 7.42 -4.22 4.32 3.41 -1.26 -4.83 113.62 125.39 2cbh n SER 14 Ca -0.06 -3.45 -0.18 0.00 -0.26 0.00 0.00 58.87 54.92 2cbh n SER 14 Cb 0.44 -1.22 -0.10 0.00 -0.26 0.00 0.00 64.21 63.07 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 -0.42 1.91 0.98 5.00 0.00 -1.26 -5.14 107.32 108.39 2cbh s GLY 15 Ca 0.50 -1.81 -0.11 0.00 0.00 0.00 0.00 44.72 43.30 2cbh s GLY 15 CO -0.20 -1.62 0.99 -1.55 0.00 0.00 0.00 173.10 170.72 2cbh n PRO 16 N -0.54 -0.84 -0.33 2.90 -0.04 -1.26 -4.94 135.00 129.95 2cbh n PRO 16 Ca -0.00 -0.19 0.04 0.00 -0.04 0.00 0.00 63.50 63.31 2cbh n PRO 16 Cb 0.66 -2.25 0.06 0.00 -0.04 0.00 0.00 33.50 31.93 2cbh n PRO 16 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 2cbh n THR 17 N -4.31 0.82 -2.87 0.52 -2.24 -1.26 -4.68 114.28 100.26 2cbh n THR 17 Ca 0.09 -1.00 -0.42 0.00 -2.27 0.00 0.00 64.05 60.45 2cbh n THR 17 Cb 0.53 0.18 -0.04 0.00 -2.10 0.00 0.00 70.33 68.90 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 -1.25 4.70 0.24 2.28 1.01 -1.26 -4.87 120.40 121.25 2cbh s VAL 18 Ca 0.14 1.23 -0.22 0.00 0.00 0.00 0.00 61.98 63.13 2cbh s VAL 18 Cb 0.13 -4.23 -0.09 0.00 0.00 0.00 0.00 36.38 32.19 2cbh s VAL 18 CO 0.01 -0.37 0.79 0.00 0.00 0.00 0.00 175.10 175.53 2cbh n ALA 20 N 0.76 -4.04 -1.77 0.00 0.00 0.82 -4.78 120.51 111.50 2cbh n ALA 20 Ca -0.01 -1.25 -0.39 0.00 0.00 0.00 0.00 53.44 51.79 2cbh n ALA 20 Cb 0.51 -1.55 -0.01 0.00 0.00 0.00 0.00 19.45 18.40 2cbh n ALA 20 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2cbh s SER 21 N -1.87 6.31 0.00 0.00 1.04 -1.26 -2.38 113.70 115.54 2cbh s SER 21 Ca 0.56 2.55 0.00 0.00 0.48 0.00 0.00 55.95 59.54 2cbh s SER 21 Cb -0.13 -2.63 0.00 0.00 0.10 0.00 0.00 66.02 63.36 2cbh s SER 21 CO 0.66 -0.84 0.00 0.61 0.98 0.00 0.00 173.24 174.65 2cbh n GLY 22 N 0.65 2.84 3.73 7.32 0.00 -1.26 -5.00 105.19 113.47 2cbh n GLY 22 Ca 0.04 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.00 2.29 0.08 2.61 -4.23 -1.00 -5.06 115.64 108.32 2cbh s THR 23 Ca 0.00 -1.72 -0.06 0.00 -1.18 0.00 0.00 61.69 58.73 2cbh s THR 23 Cb 0.00 -3.00 -0.02 0.00 1.34 0.00 0.00 72.50 70.83 2cbh s THR 23 CO 0.00 -0.00 0.11 0.42 -0.54 0.00 0.00 174.62 174.61 2cbh s THR 24 N -2.61 0.17 -0.31 3.99 -4.23 -0.59 -4.69 115.64 107.37 2cbh s THR 24 Ca 0.41 -1.40 -0.29 0.00 -1.18 0.00 0.00 61.69 59.22 2cbh s THR 24 Cb 0.04 -1.41 0.02 0.00 1.34 0.00 0.00 72.50 72.49 2cbh s THR 24 CO 0.22 -0.77 1.07 0.00 -0.54 0.00 0.00 174.62 174.60 2cbh s GLN 26 N 3.62 2.85 0.01 0.00 -0.21 0.13 -4.91 119.66 121.15 2cbh s GLN 26 Ca 0.45 -0.69 -0.26 0.00 0.02 0.00 0.00 55.36 54.88 2cbh s GLN 26 Cb -0.12 -2.48 -0.04 0.00 1.00 0.00 0.00 33.01 31.36 2cbh s GLN 26 CO 0.15 0.47 0.83 0.08 -2.12 0.00 0.00 175.29 174.69 2cbh s VAL 27 N -0.32 4.83 -0.22 1.09 1.01 -1.26 -0.58 120.40 124.94 2cbh s VAL 27 Ca 0.03 1.75 -0.16 0.00 0.00 0.00 0.00 61.98 63.59 2cbh s VAL 27 Cb -0.13 -4.17 -0.11 0.00 0.00 0.00 0.00 36.38 31.97 2cbh s VAL 27 CO 0.02 0.27 -0.18 -0.11 0.00 0.00 0.00 175.10 175.11 2cbh n LEU 28 N 3.36 1.90 -4.04 3.92 7.94 0.18 -4.87 117.00 125.40 2cbh n LEU 28 Ca 0.01 0.41 -0.11 0.00 -1.11 0.00 0.00 56.01 55.20 2cbh n LEU 28 Cb 0.51 -0.85 -0.05 0.00 0.53 0.00 0.00 43.42 43.56 2cbh n LEU 28 CO 0.49 0.14 0.14 0.20 -1.11 0.00 0.00 177.39 177.25 2cbh s ASN 29 N -6.69 0.28 0.00 1.96 0.01 -0.45 -4.99 114.94 105.05 2cbh s ASN 29 Ca -0.30 -1.18 0.00 0.00 -0.71 0.00 0.00 52.86 50.67 2cbh s ASN 29 Cb 0.08 0.61 0.00 0.00 0.41 0.00 0.00 41.25 42.35 2cbh s ASN 29 CO 0.46 -1.19 0.36 -2.65 -1.51 0.00 0.00 177.10 172.57 2cbh n PRO 30 N -0.44 0.52 -0.51 -0.60 -0.02 -1.26 -1.69 135.00 131.00 2cbh n PRO 30 Ca -0.01 0.00 -0.00 0.00 -2.02 0.00 0.00 63.50 61.47 2cbh n PRO 30 Cb 0.62 -1.25 -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 0.43 0.00 -3.64 6.00 4.01 -1.26 -3.83 117.16 118.87 2cbh n TYR 31 Ca 0.00 -0.01 0.00 0.00 -0.16 0.00 0.00 57.90 57.73 2cbh n TYR 31 Cb 0.18 0.15 -0.06 0.00 -0.31 0.00 0.00 39.34 39.29 2cbh n TYR 31 CO 0.00 0.00 0.00 -0.47 -0.46 0.00 0.00 176.86 175.93 2cbh s TYR 32 N 0.00 -0.33 -0.07 -0.72 5.04 -0.68 -4.46 117.35 116.13 2cbh s TYR 32 Ca 0.00 0.65 -0.02 0.00 -2.44 0.00 0.00 57.07 55.26 2cbh s TYR 32 Cb 0.00 0.19 0.03 0.00 0.35 0.00 0.00 41.96 42.54 2cbh s TYR 32 CO -0.00 -0.16 0.02 -1.12 -1.34 0.00 0.00 175.55 172.95 2cbh s SER 33 N 1.22 1.53 0.21 4.32 0.01 -0.84 -0.64 113.70 119.51 2cbh s SER 33 Ca -0.08 -0.08 0.04 0.00 1.31 0.00 0.00 55.95 57.14 2cbh s SER 33 Cb -0.03 -0.36 -0.03 0.00 0.21 0.00 0.00 66.02 65.81 2cbh s SER 33 CO -0.12 -0.22 0.34 -1.58 0.41 0.00 0.00 173.24 172.07 2cbh s GLN 34 N 2.03 3.44 -0.42 12.44 0.74 0.25 0.02 119.66 138.15 2cbh s GLN 34 Ca 0.05 -0.69 -0.20 0.00 0.05 0.00 0.00 55.36 54.56 2cbh s GLN 34 Cb -0.12 -2.91 0.02 0.00 1.10 0.00 0.00 33.01 31.10 2cbh s GLN 34 CO -0.05 0.45 0.62 0.00 -0.55 0.00 0.00 175.29 175.77