#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cbh n GLN 2 N 0.00 0.07 -4.29 -2.82 -0.06 0.15 -4.91 117.38 105.52 2cbh n GLN 2 Ca 0.00 0.00 -0.15 0.00 -2.00 0.00 0.00 57.00 54.85 2cbh n GLN 2 Cb 0.00 0.00 -0.10 0.00 -4.06 0.00 0.00 30.24 26.08 2cbh n GLN 2 CO 0.00 0.00 0.00 -1.54 -0.20 0.00 0.00 177.06 175.32 2cbh s SER 3 N -1.05 1.64 0.37 1.69 1.04 -1.26 -3.64 113.70 112.49 2cbh s SER 3 Ca 0.00 -1.16 -0.26 0.00 0.48 0.00 0.00 55.95 55.01 2cbh s SER 3 Cb 0.00 0.04 -0.12 0.00 0.10 0.00 0.00 66.02 66.04 2cbh s SER 3 CO 0.00 -0.49 1.11 1.57 0.98 0.00 0.00 173.24 176.42 2cbh n HIS 4 N -0.32 1.60 -1.80 5.02 -0.00 -1.26 0.35 115.22 118.81 2cbh n HIS 4 Ca -0.07 0.59 -0.19 0.00 -0.00 0.00 0.00 57.72 58.05 2cbh n HIS 4 Cb 0.63 -2.30 -0.06 0.00 -0.00 0.00 0.00 29.99 28.26 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 -0.07 -0.37 -3.89 1.57 4.01 -0.27 -4.95 117.16 113.20 2cbh n TYR 5 Ca 0.08 0.00 -0.28 0.00 -0.16 0.00 0.00 57.90 57.54 2cbh n TYR 5 Cb 0.37 -3.42 -0.03 0.00 -0.31 0.00 0.00 39.34 35.94 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 -2.46 1.86 -0.34 2.72 0.00 0.16 -4.81 107.32 104.44 2cbh s GLY 6 Ca 0.00 -0.93 -0.28 0.00 0.00 0.00 0.00 44.72 43.51 2cbh s GLY 6 CO 0.00 -0.92 1.01 1.62 0.00 0.00 0.00 173.10 174.81 2cbh s GLN 7 N -3.05 3.98 -0.12 2.90 0.74 -1.26 -1.68 119.66 121.16 2cbh s GLN 7 Ca 0.36 0.87 0.13 0.00 0.05 0.00 0.00 55.36 56.76 2cbh s GLN 7 Cb -0.12 -3.76 -0.24 0.00 1.10 0.00 0.00 33.01 29.99 2cbh s GLN 7 CO 0.28 -0.92 0.36 0.00 -0.55 0.00 0.00 175.29 174.46 2cbh n GLY 9 N 1.69 2.31 0.00 0.00 0.00 -1.11 -3.92 105.19 104.15 2cbh n GLY 9 Ca -0.26 -1.36 0.00 0.00 0.00 0.00 0.00 46.02 44.40 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 -0.25 3.68 3.16 -0.02 0.00 -1.26 0.10 105.19 110.60 2cbh n GLY 10 Ca -0.01 -1.30 -0.38 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 0.33 0.08 0.00 -0.61 5.41 -1.16 -0.85 119.36 122.56 2cbh n ILE 11 Ca 0.00 -0.49 0.00 0.00 1.00 0.00 0.00 62.75 63.26 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 2.86 2.94 3.81 7.39 0.00 -1.26 -4.62 105.19 116.30 2cbh n GLY 12 Ca 0.04 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.62 3.76 -0.36 1.61 5.04 -0.03 -5.00 117.35 119.75 2cbh s TYR 13 Ca 0.00 1.35 0.14 0.00 -2.44 0.00 0.00 57.07 56.12 2cbh s TYR 13 Cb 0.00 -2.57 0.39 0.00 0.35 0.00 0.00 41.96 40.13 2cbh s TYR 13 CO 0.00 0.49 0.83 -1.13 -1.34 0.00 0.00 175.55 174.40 2cbh n SER 14 N 1.32 1.30 -3.42 4.32 3.41 -1.26 -4.94 113.62 114.35 2cbh n SER 14 Ca -0.07 -2.95 -0.16 0.00 -0.26 0.00 0.00 58.87 55.43 2cbh n SER 14 Cb 0.50 -0.58 -0.06 0.00 -0.26 0.00 0.00 64.21 63.81 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 -2.74 1.68 0.83 5.00 0.00 -1.26 -5.14 107.32 105.68 2cbh s GLY 15 Ca 0.36 -1.67 -0.12 0.00 0.00 0.00 0.00 44.72 43.29 2cbh s GLY 15 CO -0.04 -1.16 1.17 2.56 0.00 0.00 0.00 173.10 175.63 2cbh s PRO 16 N -3.34 1.58 0.00 2.90 0.04 -1.26 -4.95 135.00 129.97 2cbh s PRO 16 Ca 0.34 1.63 0.01 0.00 0.04 0.00 0.00 61.00 63.02 2cbh s PRO 16 Cb 0.01 -1.78 0.02 0.00 0.04 0.00 0.00 34.50 32.79 2cbh s PRO 16 CO 0.21 -2.23 0.67 0.25 0.04 0.00 0.00 177.00 175.94 2cbh n THR 17 N -3.53 0.28 -2.45 1.26 -2.24 -1.25 -4.66 114.28 101.69 2cbh n THR 17 Ca 0.12 -0.64 -0.43 0.00 -2.27 0.00 0.00 64.05 60.84 2cbh n THR 17 Cb 0.51 0.88 -0.02 0.00 -2.10 0.00 0.00 70.33 69.60 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 -0.35 3.97 0.71 2.28 1.01 -1.26 -4.83 120.40 121.93 2cbh s VAL 18 Ca 0.02 0.94 -0.13 0.00 0.00 0.00 0.00 61.98 62.81 2cbh s VAL 18 Cb 0.01 -4.41 0.03 0.00 0.00 0.00 0.00 36.38 32.01 2cbh s VAL 18 CO 0.02 -0.97 1.11 0.00 0.00 0.00 0.00 175.10 175.25 2cbh s ALA 20 N -2.53 -0.52 0.71 0.00 0.00 -1.24 -4.67 121.76 113.51 2cbh s ALA 20 Ca 0.65 -0.21 -0.14 0.00 0.00 0.00 0.00 51.96 52.26 2cbh s ALA 20 Cb -0.20 -3.22 0.03 0.00 0.00 0.00 0.00 23.12 19.73 2cbh s ALA 20 CO 0.48 -3.88 1.15 -1.54 0.00 0.00 0.00 175.76 171.96 2cbh s SER 21 N -2.59 4.56 0.00 0.00 1.04 -1.26 -2.39 113.70 113.06 2cbh s SER 21 Ca 0.68 2.13 0.00 0.00 0.48 0.00 0.00 55.95 59.25 2cbh s SER 21 Cb -0.24 -2.56 0.00 0.00 0.10 0.00 0.00 66.02 63.31 2cbh s SER 21 CO 0.64 -2.01 0.00 0.61 0.98 0.00 0.00 173.24 173.47 2cbh n GLY 22 N -0.18 1.30 3.48 7.32 0.00 -1.26 -4.96 105.19 110.90 2cbh n GLY 22 Ca 0.11 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.91 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 -2.87 1.42 0.04 2.61 -4.23 -1.00 -5.04 115.64 106.55 2cbh s THR 23 Ca 0.00 -2.02 -0.08 0.00 -1.18 0.00 0.00 61.69 58.42 2cbh s THR 23 Cb 0.00 -2.79 -0.00 0.00 1.34 0.00 0.00 72.50 71.04 2cbh s THR 23 CO 0.00 -0.04 0.15 0.42 -0.54 0.00 0.00 174.62 174.61 2cbh s THR 24 N -3.14 0.12 0.27 3.99 -4.23 -1.21 -4.73 115.64 106.71 2cbh s THR 24 Ca 0.35 -0.97 -0.28 0.00 -1.18 0.00 0.00 61.69 59.61 2cbh s THR 24 Cb 0.08 -0.89 -0.09 0.00 1.34 0.00 0.00 72.50 72.94 2cbh s THR 24 CO 0.16 -0.53 0.93 0.00 -0.54 0.00 0.00 174.62 174.64 2cbh s GLN 26 N -1.53 0.37 -0.09 0.00 -0.21 0.55 -4.93 119.66 113.81 2cbh s GLN 26 Ca 0.44 -0.37 -0.29 0.00 0.02 0.00 0.00 55.36 55.16 2cbh s GLN 26 Cb -0.23 -1.85 -0.07 0.00 1.00 0.00 0.00 33.01 31.87 2cbh s GLN 26 CO 0.28 -0.74 2.07 0.08 -2.12 0.00 0.00 175.29 174.86 2cbh s VAL 27 N 1.98 3.04 -0.13 1.09 1.01 -1.26 -1.81 120.40 124.32 2cbh s VAL 27 Ca 0.03 0.05 -0.22 0.00 0.00 0.00 0.00 61.98 61.83 2cbh s VAL 27 Cb -0.17 -3.04 -0.20 0.00 0.00 0.00 0.00 36.38 32.97 2cbh s VAL 27 CO -0.15 -0.02 0.60 0.25 0.00 0.00 0.00 175.10 175.79 2cbh h LEU 28 N 12.72 -0.00 -8.26 3.92 5.85 -0.87 -3.48 115.31 125.19 2cbh h LEU 28 Ca -0.45 -0.76 -0.12 0.00 0.84 0.00 0.00 57.88 57.39 2cbh h LEU 28 Cb 1.23 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 42.21 2cbh h LEU 28 CO 0.95 0.87 -0.00 0.20 -0.34 0.00 0.00 178.44 180.13 2cbh s ASN 29 N -6.05 0.33 0.00 1.25 0.01 -0.76 -5.00 114.94 104.72 2cbh s ASN 29 Ca -0.15 -1.20 0.00 0.00 -0.71 0.00 0.00 52.86 50.81 2cbh s ASN 29 Cb -0.02 0.71 0.00 0.00 0.41 0.00 0.00 41.25 42.35 2cbh s ASN 29 CO 0.53 -1.39 0.32 -2.65 -1.51 0.00 0.00 177.10 172.40 2cbh n PRO 30 N -0.51 0.45 -0.24 -0.60 -0.02 -1.26 -1.72 135.00 131.11 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 -1.25 0.00 0.00 -0.02 0.00 0.00 33.50 32.84 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 0.49 0.00 -3.65 6.00 4.02 -1.26 -3.00 117.16 119.76 2cbh n TYR 31 Ca 0.00 0.00 -0.01 0.00 -0.01 0.00 0.00 57.90 57.88 2cbh n TYR 31 Cb 0.16 0.08 -0.06 0.00 -0.02 0.00 0.00 39.34 39.50 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 -0.36 -0.16 -0.72 5.04 -0.70 -4.32 117.35 116.12 2cbh s TYR 32 Ca 0.00 0.73 -0.03 0.00 -2.44 0.00 0.00 57.07 55.33 2cbh s TYR 32 Cb 0.00 0.24 0.05 0.00 0.35 0.00 0.00 41.96 42.60 2cbh s TYR 32 CO 0.00 -0.18 0.05 -1.12 -1.34 0.00 0.00 175.55 172.96 2cbh s SER 33 N 1.14 2.47 0.08 4.32 0.01 0.28 -0.12 113.70 121.89 2cbh s SER 33 Ca -0.08 -0.62 -0.05 0.00 1.31 0.00 0.00 55.95 56.51 2cbh s SER 33 Cb -0.03 -0.43 -0.05 0.00 0.21 0.00 0.00 66.02 65.72 2cbh s SER 33 CO -0.13 -0.31 0.33 -1.58 0.41 0.00 0.00 173.24 171.96 2cbh s GLN 34 N 1.99 3.60 -0.38 12.44 2.00 -0.75 -0.13 119.66 138.43 2cbh s GLN 34 Ca 0.01 -0.10 -0.13 0.00 -2.00 0.00 0.00 55.36 53.14 2cbh s GLN 34 Cb -0.16 -2.96 0.01 0.00 0.80 0.00 0.00 33.01 30.70 2cbh s GLN 34 CO -0.08 0.55 0.25 0.00 -0.50 0.00 0.00 175.29 175.51