#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 1.12 0.53 -2.82 0.74 -0.32 -4.95 119.66 113.96 2cbh s GLN 2 Ca 0.00 -1.54 0.09 0.00 0.05 0.00 0.00 55.36 53.96 2cbh s GLN 2 Cb 0.00 -0.36 0.06 0.00 1.10 0.00 0.00 33.01 33.81 2cbh s GLN 2 CO 0.00 -0.10 0.69 -1.54 -0.55 0.00 0.00 175.29 173.80 2cbh s SER 3 N -3.19 5.17 0.38 6.67 1.04 -1.26 0.30 113.70 122.82 2cbh s SER 3 Ca 0.23 -0.79 -0.28 0.00 0.48 0.00 0.00 55.95 55.59 2cbh s SER 3 Cb 0.06 0.08 -0.11 0.00 0.10 0.00 0.00 66.02 66.15 2cbh s SER 3 CO 0.04 -1.17 1.45 -2.28 0.98 0.00 0.00 173.24 172.26 2cbh s HIS 4 N -2.60 2.64 -0.18 5.02 2.46 -1.26 -1.48 115.29 119.88 2cbh s HIS 4 Ca 0.57 1.22 0.00 0.00 0.47 0.00 0.00 55.06 57.32 2cbh s HIS 4 Cb -0.06 -3.96 0.00 0.00 -0.13 0.00 0.00 32.58 28.43 2cbh s HIS 4 CO 0.36 -2.82 0.00 0.66 -2.47 0.00 0.00 174.74 170.47 2cbh n TYR 5 N 0.42 0.00 -2.46 3.88 4.01 0.14 -4.93 117.16 118.22 2cbh n TYR 5 Ca 0.01 0.00 -0.31 0.00 -0.16 0.00 0.00 57.90 57.44 2cbh n TYR 5 Cb 0.40 -1.18 -0.03 0.00 -0.31 0.00 0.00 39.34 38.23 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 -2.14 1.96 -0.59 2.72 0.00 -0.55 -4.42 107.32 104.29 2cbh s GLY 6 Ca 0.00 0.01 -0.28 0.00 0.00 0.00 0.00 44.72 44.45 2cbh s GLY 6 CO 0.00 0.26 1.32 1.62 0.00 0.00 0.00 173.10 176.30 2cbh s GLN 7 N -4.18 3.37 0.13 2.90 0.74 -1.26 -0.36 119.66 121.00 2cbh s GLN 7 Ca 0.56 0.31 0.23 0.00 0.05 0.00 0.00 55.36 56.51 2cbh s GLN 7 Cb -0.10 -4.09 0.20 0.00 1.10 0.00 0.00 33.01 30.12 2cbh s GLN 7 CO 0.35 -1.86 1.20 0.00 -0.55 0.00 0.00 175.29 174.42 2cbh n GLY 9 N 1.30 2.49 0.00 0.00 0.00 -1.12 -4.13 105.19 103.73 2cbh n GLY 9 Ca 0.02 -0.61 0.00 0.00 0.00 0.00 0.00 46.02 45.43 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 1.72 3.41 -0.02 0.00 -1.26 -1.43 105.19 107.60 2cbh n GLY 10 Ca 0.00 -1.61 -0.36 0.00 0.00 0.00 0.00 46.02 44.05 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 1.72 1.45 -1.07 -0.61 5.41 -1.25 -1.98 119.36 123.02 2cbh n ILE 11 Ca 0.00 -0.42 -0.02 0.00 1.00 0.00 0.00 62.75 63.31 2cbh n ILE 11 Cb 0.00 -0.60 -0.01 0.00 -0.71 0.00 0.00 39.64 38.32 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 1.87 0.53 2.97 7.39 0.00 -1.26 -4.54 105.19 112.15 2cbh n GLY 12 Ca 0.09 -0.25 -0.31 0.00 0.00 0.00 0.00 46.02 45.55 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 -1.87 2.65 -0.21 1.61 5.04 -0.84 -4.96 117.35 118.77 2cbh s TYR 13 Ca 0.00 -1.94 0.15 0.00 -2.44 0.00 0.00 57.07 52.84 2cbh s TYR 13 Cb 0.00 -1.70 0.58 0.00 0.35 0.00 0.00 41.96 41.19 2cbh s TYR 13 CO 0.00 -0.81 1.50 -1.13 -1.34 0.00 0.00 175.55 173.77 2cbh n SER 14 N 4.60 4.06 -4.60 4.32 3.41 -1.26 -4.80 113.62 119.34 2cbh n SER 14 Ca -0.12 -3.10 -0.24 0.00 -0.26 0.00 0.00 58.87 55.15 2cbh n SER 14 Cb 0.43 -0.59 0.12 0.00 -0.26 0.00 0.00 64.21 63.92 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 -1.79 1.76 0.80 5.00 0.00 -1.26 -5.06 107.32 106.77 2cbh s GLY 15 Ca 0.45 -1.78 -0.13 0.00 0.00 0.00 0.00 44.72 43.27 2cbh s GLY 15 CO 0.09 -1.16 1.16 2.56 0.00 0.00 0.00 173.10 175.75 2cbh s PRO 16 N -5.23 1.80 0.00 2.90 0.04 -1.26 -4.96 135.00 128.29 2cbh s PRO 16 Ca 0.68 1.57 0.00 0.00 0.04 0.00 0.00 61.00 63.29 2cbh s PRO 16 Cb -0.04 -1.81 0.01 0.00 0.04 0.00 0.00 34.50 32.69 2cbh s PRO 16 CO 0.45 -2.06 0.93 0.25 0.04 0.00 0.00 177.00 176.62 2cbh n THR 17 N -3.37 0.85 -2.80 1.26 -2.24 -1.26 -4.67 114.28 102.05 2cbh n THR 17 Ca 0.12 -0.92 -0.43 0.00 -2.27 0.00 0.00 64.05 60.55 2cbh n THR 17 Cb 0.51 0.58 -0.04 0.00 -2.10 0.00 0.00 70.33 69.28 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 -0.85 4.43 0.99 2.28 1.01 -1.26 -4.85 120.40 122.16 2cbh s VAL 18 Ca 0.00 0.76 -0.12 0.00 0.00 0.00 0.00 61.98 62.62 2cbh s VAL 18 Cb 0.00 -4.46 0.19 0.00 0.00 0.00 0.00 36.38 32.10 2cbh s VAL 18 CO 0.00 -0.88 1.09 0.00 0.00 0.00 0.00 175.10 175.31 2cbh s ALA 20 N -2.92 -0.63 0.34 0.00 0.00 0.15 -4.36 121.76 114.33 2cbh s ALA 20 Ca 0.65 -0.55 -0.28 0.00 0.00 0.00 0.00 51.96 51.79 2cbh s ALA 20 Cb -0.19 -3.06 -0.10 0.00 0.00 0.00 0.00 23.12 19.77 2cbh s ALA 20 CO 0.58 -4.28 1.25 -1.54 0.00 0.00 0.00 175.76 171.78 2cbh s SER 21 N -2.91 6.75 0.00 0.00 1.04 -1.26 -2.34 113.70 114.98 2cbh s SER 21 Ca 0.69 2.57 0.00 0.00 0.48 0.00 0.00 55.95 59.69 2cbh s SER 21 Cb -0.18 -2.64 0.00 0.00 0.10 0.00 0.00 66.02 63.30 2cbh s SER 21 CO 0.61 -0.54 0.00 0.61 0.98 0.00 0.00 173.24 174.90 2cbh n GLY 22 N 0.82 2.68 3.86 7.32 0.00 -1.26 -5.00 105.19 113.61 2cbh n GLY 22 Ca 0.01 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.65 2.78 0.31 2.61 -4.23 -0.99 -5.08 115.64 108.38 2cbh s THR 23 Ca 0.00 -1.37 0.06 0.00 -1.18 0.00 0.00 61.69 59.19 2cbh s THR 23 Cb 0.00 -3.03 -0.03 0.00 1.34 0.00 0.00 72.50 70.78 2cbh s THR 23 CO 0.00 -0.03 0.24 0.42 -0.54 0.00 0.00 174.62 174.71 2cbh s THR 24 N -2.45 0.03 0.02 3.99 -4.23 -1.26 -4.73 115.64 107.00 2cbh s THR 24 Ca 0.46 -2.00 -0.01 0.00 -1.18 0.00 0.00 61.69 58.96 2cbh s THR 24 Cb -0.03 -2.49 -0.04 0.00 1.34 0.00 0.00 72.50 71.27 2cbh s THR 24 CO 0.27 0.00 0.19 0.00 -0.54 0.00 0.00 174.62 174.54 2cbh s GLN 26 N -2.18 0.13 -0.41 0.00 1.11 0.39 -4.86 119.66 113.83 2cbh s GLN 26 Ca 0.30 0.55 -0.29 0.00 0.01 0.00 0.00 55.36 55.94 2cbh s GLN 26 Cb -0.13 -0.15 0.01 0.00 -1.01 0.00 0.00 33.01 31.73 2cbh s GLN 26 CO 0.23 -0.23 1.40 0.08 0.01 0.00 0.00 175.29 176.78 2cbh s VAL 27 N 1.75 3.92 -0.03 1.09 1.01 -1.26 -0.54 120.40 126.35 2cbh s VAL 27 Ca -0.04 0.95 -0.19 0.00 0.00 0.00 0.00 61.98 62.70 2cbh s VAL 27 Cb -0.11 -4.22 -0.11 0.00 0.00 0.00 0.00 36.38 31.93 2cbh s VAL 27 CO -0.07 -0.76 0.79 0.25 0.00 0.00 0.00 175.10 175.31 2cbh h LEU 28 N 12.11 -0.43 -8.32 3.92 5.85 -1.05 -3.47 115.31 123.91 2cbh h LEU 28 Ca -0.27 -0.08 -0.14 0.00 0.84 0.00 0.00 57.88 58.23 2cbh h LEU 28 Cb 1.10 0.11 -0.08 0.00 0.37 0.00 0.00 40.66 42.17 2cbh h LEU 28 CO 1.09 0.01 -0.10 0.54 -0.34 0.00 0.00 178.44 179.63 2cbh s ASN 29 N -5.00 0.31 0.00 1.25 2.20 -0.78 -5.01 114.94 107.91 2cbh s ASN 29 Ca -0.10 -1.18 0.00 0.00 -0.94 0.00 0.00 52.86 50.64 2cbh s ASN 29 Cb 0.01 0.65 0.00 0.00 -2.00 0.00 0.00 41.25 39.91 2cbh s ASN 29 CO 0.34 -1.27 0.17 -2.65 -2.94 0.00 0.00 177.10 170.75 2cbh n PRO 30 N -0.47 0.24 -0.53 3.55 -0.02 -1.26 -1.46 135.00 135.04 2cbh n PRO 30 Ca -0.01 0.00 -0.00 0.00 -2.02 0.00 0.00 63.50 61.46 2cbh n PRO 30 Cb 0.62 -1.23 -0.00 0.00 -0.02 0.00 0.00 33.50 32.86 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 0.60 0.00 -3.65 6.00 4.01 -1.26 -3.95 117.16 118.91 2cbh n TYR 31 Ca 0.00 -0.02 -0.00 0.00 -0.16 0.00 0.00 57.90 57.72 2cbh n TYR 31 Cb 0.09 0.17 -0.06 0.00 -0.31 0.00 0.00 39.34 39.22 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 -0.25 -0.24 -0.72 5.04 -0.54 -4.47 117.35 116.18 2cbh s TYR 32 Ca 0.00 0.50 -0.01 0.00 -2.44 0.00 0.00 57.07 55.12 2cbh s TYR 32 Cb 0.01 0.19 0.07 0.00 0.35 0.00 0.00 41.96 42.58 2cbh s TYR 32 CO -0.00 -0.12 0.04 -1.12 -1.34 0.00 0.00 175.55 173.00 2cbh s SER 33 N 1.02 3.50 0.38 4.32 0.01 -0.52 -0.39 113.70 122.02 2cbh s SER 33 Ca -0.07 -1.17 -0.12 0.00 1.31 0.00 0.00 55.95 55.90 2cbh s SER 33 Cb -0.03 -0.82 -0.07 0.00 0.21 0.00 0.00 66.02 65.31 2cbh s SER 33 CO -0.12 -0.33 0.75 -1.58 0.41 0.00 0.00 173.24 172.38 2cbh s GLN 34 N 1.67 3.84 -0.18 12.44 0.74 0.30 0.50 119.66 138.97 2cbh s GLN 34 Ca 0.01 0.52 -0.14 0.00 0.05 0.00 0.00 55.36 55.80 2cbh s GLN 34 Cb -0.18 -2.41 -0.05 0.00 1.10 0.00 0.00 33.01 31.48 2cbh s GLN 34 CO -0.13 0.03 0.29 0.00 -0.55 0.00 0.00 175.29 174.93