#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 3.12 -4.20 -0.78 -0.06 -0.18 -4.87 117.38 110.40 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 -0.08 0.00 -4.06 0.00 0.00 30.24 26.10 2cbh n GLN 2 CO 0.00 0.00 0.00 -1.12 -0.20 0.00 0.00 177.06 175.74 2cbh s SER 3 N 0.12 0.75 0.24 1.69 0.01 -1.26 -3.53 113.70 111.72 2cbh s SER 3 Ca 0.00 -1.50 -0.31 0.00 1.31 0.00 0.00 55.95 55.45 2cbh s SER 3 Cb 0.00 0.49 -0.14 0.00 0.21 0.00 0.00 66.02 66.58 2cbh s SER 3 CO 0.00 -0.99 1.35 1.57 0.41 0.00 0.00 173.24 175.59 2cbh n HIS 4 N -0.43 2.03 -1.91 2.43 -0.00 -1.26 -0.93 115.22 115.14 2cbh n HIS 4 Ca 0.04 0.48 -0.21 0.00 -0.00 0.00 0.00 57.72 58.03 2cbh n HIS 4 Cb 0.64 -2.43 -0.06 0.00 -0.00 0.00 0.00 29.99 28.15 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 1.67 -0.38 -3.96 1.57 4.01 0.21 -4.95 117.16 115.33 2cbh n TYR 5 Ca 0.11 0.00 -0.35 0.00 -0.16 0.00 0.00 57.90 57.51 2cbh n TYR 5 Cb 0.31 -3.66 -0.06 0.00 -0.31 0.00 0.00 39.34 35.62 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 -2.51 2.12 -0.28 2.72 0.00 -0.11 -4.66 107.32 104.62 2cbh s GLY 6 Ca 0.00 -0.74 -0.29 0.00 0.00 0.00 0.00 44.72 43.69 2cbh s GLY 6 CO 0.00 -0.57 1.79 1.62 0.00 0.00 0.00 173.10 175.95 2cbh s GLN 7 N -1.52 3.47 0.05 2.90 0.74 -1.26 -1.04 119.66 123.01 2cbh s GLN 7 Ca 0.21 1.59 0.21 0.00 0.05 0.00 0.00 55.36 57.43 2cbh s GLN 7 Cb -0.12 -4.17 -0.18 0.00 1.10 0.00 0.00 33.01 29.64 2cbh s GLN 7 CO 0.12 -1.69 0.70 0.00 -0.55 0.00 0.00 175.29 173.86 2cbh n GLY 9 N 1.30 2.15 0.00 0.00 0.00 -1.13 -3.88 105.19 103.64 2cbh n GLY 9 Ca -0.06 -1.36 0.00 0.00 0.00 0.00 0.00 46.02 44.60 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 -0.30 3.95 3.42 -0.02 0.00 -1.26 0.05 105.19 111.03 2cbh n GLY 10 Ca -0.02 -1.32 -0.38 0.00 0.00 0.00 0.00 46.02 44.30 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 -0.40 1.72 -0.95 -0.61 5.41 -1.25 -1.27 119.36 122.01 2cbh n ILE 11 Ca 0.00 -0.47 0.00 0.00 1.00 0.00 0.00 62.75 63.28 2cbh n ILE 11 Cb 0.00 -0.57 0.00 0.00 -0.71 0.00 0.00 39.64 38.36 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 1.92 0.38 3.70 7.39 0.00 -1.26 -4.72 105.19 112.60 2cbh n GLY 12 Ca 0.10 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.76 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 -1.92 3.39 -0.53 1.61 5.04 -0.39 -5.00 117.35 119.54 2cbh s TYR 13 Ca 0.00 0.39 0.05 0.00 -2.44 0.00 0.00 57.07 55.07 2cbh s TYR 13 Cb 0.00 -2.27 0.37 0.00 0.35 0.00 0.00 41.96 40.40 2cbh s TYR 13 CO 0.00 0.18 1.01 -1.13 -1.34 0.00 0.00 175.55 174.27 2cbh n SER 14 N 3.87 4.59 -3.31 4.32 3.41 -1.26 -4.92 113.62 120.32 2cbh n SER 14 Ca -0.14 -3.70 -0.20 0.00 -0.26 0.00 0.00 58.87 54.57 2cbh n SER 14 Cb 0.52 -0.53 -0.08 0.00 -0.26 0.00 0.00 64.21 63.86 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 -3.49 2.41 0.79 5.00 0.00 -1.26 -5.15 107.32 105.62 2cbh s GLY 15 Ca 0.49 -2.09 -0.12 0.00 0.00 0.00 0.00 44.72 43.00 2cbh s GLY 15 CO -0.16 -1.49 1.12 2.56 0.00 0.00 0.00 173.10 175.14 2cbh s PRO 16 N -3.40 2.00 -0.02 2.90 0.04 -1.26 -4.97 135.00 130.29 2cbh s PRO 16 Ca 0.41 1.38 0.03 0.00 0.04 0.00 0.00 61.00 62.86 2cbh s PRO 16 Cb 0.02 -1.85 0.05 0.00 0.04 0.00 0.00 34.50 32.75 2cbh s PRO 16 CO 0.29 -1.87 0.98 0.25 0.04 0.00 0.00 177.00 176.69 2cbh n THR 17 N -3.42 1.04 -3.25 1.26 -2.24 -1.25 -4.63 114.28 101.79 2cbh n THR 17 Ca 0.11 -1.10 -0.41 0.00 -2.27 0.00 0.00 64.05 60.38 2cbh n THR 17 Cb 0.52 0.42 -0.08 0.00 -2.10 0.00 0.00 70.33 69.10 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 -1.20 5.04 0.36 2.28 1.01 -1.26 -4.86 120.40 121.78 2cbh s VAL 18 Ca 0.05 0.57 -0.25 0.00 0.00 0.00 0.00 61.98 62.34 2cbh s VAL 18 Cb 0.04 -3.90 -0.09 0.00 0.00 0.00 0.00 36.38 32.43 2cbh s VAL 18 CO 0.00 -0.08 1.01 0.00 0.00 0.00 0.00 175.10 176.03 2cbh s ALA 20 N -1.63 0.81 0.53 0.00 0.00 -1.23 -4.80 121.76 115.44 2cbh s ALA 20 Ca 0.54 0.34 -0.21 0.00 0.00 0.00 0.00 51.96 52.63 2cbh s ALA 20 Cb -0.21 -3.38 -0.07 0.00 0.00 0.00 0.00 23.12 19.46 2cbh s ALA 20 CO 0.26 -3.13 0.99 0.43 0.00 0.00 0.00 175.76 174.32 2cbh n SER 21 N -4.46 1.03 0.00 0.00 7.64 -1.26 -1.66 113.62 114.91 2cbh n SER 21 Ca 0.09 0.90 0.00 0.00 1.01 0.00 0.00 58.87 60.86 2cbh n SER 21 Cb 0.53 -1.38 0.00 0.00 -1.01 0.00 0.00 64.21 62.34 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 1.22 3.03 3.61 0.23 0.00 -1.26 -4.99 105.19 107.04 2cbh n GLY 22 Ca 0.12 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.86 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 -1.92 1.55 0.13 2.61 -4.23 -0.66 -5.04 115.64 108.09 2cbh s THR 23 Ca 0.00 -2.00 -0.11 0.00 -1.18 0.00 0.00 61.69 58.40 2cbh s THR 23 Cb 0.00 -2.73 0.01 0.00 1.34 0.00 0.00 72.50 71.12 2cbh s THR 23 CO 0.00 0.00 0.29 0.42 -0.54 0.00 0.00 174.62 174.79 2cbh s THR 24 N -2.90 0.09 0.02 3.99 -4.23 0.69 -4.66 115.64 108.64 2cbh s THR 24 Ca 0.28 -1.11 -0.21 0.00 -1.18 0.00 0.00 61.69 59.47 2cbh s THR 24 Cb 0.07 -1.52 -0.06 0.00 1.34 0.00 0.00 72.50 72.34 2cbh s THR 24 CO 0.14 -0.41 0.60 0.00 -0.54 0.00 0.00 174.62 174.41 2cbh s GLN 26 N -0.41 1.32 -0.02 0.00 -0.21 0.64 -4.92 119.66 116.05 2cbh s GLN 26 Ca 0.31 -0.38 -0.30 0.00 0.02 0.00 0.00 55.36 55.00 2cbh s GLN 26 Cb -0.19 -1.81 -0.09 0.00 1.00 0.00 0.00 33.01 31.93 2cbh s GLN 26 CO 0.18 -0.39 2.01 0.28 -2.12 0.00 0.00 175.29 175.24 2cbh n VAL 27 N 4.93 0.68 -0.07 1.09 0.31 -1.26 -1.59 118.33 122.43 2cbh n VAL 27 Ca -0.11 -0.18 -0.06 0.00 -0.01 0.00 0.00 64.34 63.98 2cbh n VAL 27 Cb 0.48 -2.30 -0.03 0.00 -0.91 0.00 0.00 33.84 31.08 2cbh n VAL 27 CO 0.00 0.00 0.00 0.25 -1.32 0.00 0.00 176.83 175.76 2cbh h LEU 28 N 11.13 0.00 -8.26 7.52 7.12 -1.00 -3.47 115.31 128.36 2cbh h LEU 28 Ca -0.48 -0.18 -0.14 0.00 0.13 0.00 0.00 57.88 57.21 2cbh h LEU 28 Cb 1.25 0.00 -0.04 0.00 -0.53 0.00 0.00 40.66 41.34 2cbh h LEU 28 CO 0.95 0.76 0.05 0.20 -0.13 0.00 0.00 178.44 180.26 2cbh s ASN 29 N -5.84 0.44 0.00 1.25 0.01 0.17 -4.97 114.94 106.01 2cbh s ASN 29 Ca -0.11 -1.30 0.00 0.00 -0.71 0.00 0.00 52.86 50.75 2cbh s ASN 29 Cb 0.01 0.76 0.00 0.00 0.41 0.00 0.00 41.25 42.43 2cbh s ASN 29 CO 0.23 -1.49 0.34 -2.65 -1.51 0.00 0.00 177.10 172.02 2cbh n PRO 30 N -0.54 0.49 -0.07 -0.60 -0.02 -1.26 -1.77 135.00 131.23 2cbh n PRO 30 Ca -0.04 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.44 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 0.46 0.00 -3.64 6.00 4.02 -1.26 -3.79 117.16 118.94 2cbh n TYR 31 Ca 0.00 0.00 -0.05 0.00 -0.01 0.00 0.00 57.90 57.84 2cbh n TYR 31 Cb 0.17 0.10 -0.07 0.00 -0.02 0.00 0.00 39.34 39.52 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 -0.28 -0.09 -0.72 5.04 -0.73 -4.36 117.35 116.20 2cbh s TYR 32 Ca 0.00 0.67 -0.03 0.00 -2.44 0.00 0.00 57.07 55.27 2cbh s TYR 32 Cb 0.00 0.39 0.04 0.00 0.35 0.00 0.00 41.96 42.74 2cbh s TYR 32 CO 0.00 -0.14 0.07 -1.12 -1.34 0.00 0.00 175.55 173.02 2cbh s SER 33 N 0.29 1.66 0.28 4.32 0.01 0.11 -0.31 113.70 120.05 2cbh s SER 33 Ca 0.03 -0.21 -0.08 0.00 1.31 0.00 0.00 55.95 57.00 2cbh s SER 33 Cb -0.05 -0.20 -0.06 0.00 0.21 0.00 0.00 66.02 65.92 2cbh s SER 33 CO -0.11 -0.29 0.58 -1.58 0.41 0.00 0.00 173.24 172.25 2cbh s GLN 34 N 2.14 3.73 -0.50 12.44 0.74 -0.62 -0.34 119.66 137.25 2cbh s GLN 34 Ca 0.04 0.19 -0.15 0.00 0.05 0.00 0.00 55.36 55.49 2cbh s GLN 34 Cb -0.14 -2.61 0.09 0.00 1.10 0.00 0.00 33.01 31.46 2cbh s GLN 34 CO -0.06 0.23 0.43 0.00 -0.55 0.00 0.00 175.29 175.34