#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 2.03 0.36 -0.78 2.00 0.35 -4.95 119.66 118.66 2cbh s GLN 2 Ca 0.00 -2.00 0.08 0.00 -2.00 0.00 0.00 55.36 51.44 2cbh s GLN 2 Cb 0.00 -1.75 -0.05 0.00 0.80 0.00 0.00 33.01 32.01 2cbh s GLN 2 CO 0.00 -0.04 0.12 -1.12 -0.50 0.00 0.00 175.29 173.75 2cbh s SER 3 N -3.75 4.48 0.27 6.67 0.01 -1.26 -1.14 113.70 118.98 2cbh s SER 3 Ca 0.36 -0.91 -0.28 0.00 1.31 0.00 0.00 55.95 56.43 2cbh s SER 3 Cb 0.07 -0.61 -0.15 0.00 0.21 0.00 0.00 66.02 65.55 2cbh s SER 3 CO 0.19 -0.35 0.95 1.57 0.41 0.00 0.00 173.24 176.02 2cbh n HIS 4 N -1.12 1.04 -2.43 2.43 -0.00 -1.26 0.77 115.22 114.65 2cbh n HIS 4 Ca -0.03 0.74 -0.19 0.00 -0.00 0.00 0.00 57.72 58.24 2cbh n HIS 4 Cb 0.62 -2.21 -0.01 0.00 -0.00 0.00 0.00 29.99 28.39 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 0.26 -1.11 -3.89 1.57 4.01 0.91 -4.94 117.16 113.96 2cbh n TYR 5 Ca 0.11 0.01 -0.32 0.00 -0.16 0.00 0.00 57.90 57.54 2cbh n TYR 5 Cb 0.31 -3.74 -0.04 0.00 -0.31 0.00 0.00 39.34 35.55 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 -2.06 2.19 -0.63 2.72 0.00 0.23 -4.71 107.32 105.07 2cbh s GLY 6 Ca 0.01 -0.78 -0.27 0.00 0.00 0.00 0.00 44.72 43.67 2cbh s GLY 6 CO 0.01 -0.72 1.48 1.62 0.00 0.00 0.00 173.10 175.50 2cbh s GLN 7 N -2.28 3.11 0.08 2.90 0.74 -1.26 -0.89 119.66 122.06 2cbh s GLN 7 Ca 0.32 0.29 0.24 0.00 0.05 0.00 0.00 55.36 56.26 2cbh s GLN 7 Cb -0.13 -4.20 0.22 0.00 1.10 0.00 0.00 33.01 30.00 2cbh s GLN 7 CO 0.24 -2.19 1.19 0.00 -0.55 0.00 0.00 175.29 173.98 2cbh n GLY 9 N 1.37 3.64 0.00 0.00 0.00 -1.10 -4.01 105.19 105.09 2cbh n GLY 9 Ca 0.03 -0.72 0.00 0.00 0.00 0.00 0.00 46.02 45.33 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 2.52 3.52 -0.02 0.00 -1.26 -2.12 105.19 107.83 2cbh n GLY 10 Ca 0.00 -1.50 -0.41 0.00 0.00 0.00 0.00 46.02 44.10 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 1.58 2.14 -1.00 -0.61 5.41 -1.19 -0.87 119.36 124.82 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 -0.79 0.00 0.00 -0.71 0.00 0.00 39.64 38.14 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 1.55 0.76 3.50 7.39 0.00 -1.26 -4.73 105.19 112.40 2cbh n GLY 12 Ca 0.11 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.72 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 -3.03 3.23 -0.57 1.61 5.04 -0.05 -4.96 117.35 118.62 2cbh s TYR 13 Ca 0.00 -0.35 0.02 0.00 -2.44 0.00 0.00 57.07 54.30 2cbh s TYR 13 Cb 0.00 -2.51 0.41 0.00 0.35 0.00 0.00 41.96 40.22 2cbh s TYR 13 CO 0.00 -0.44 1.54 -1.13 -1.34 0.00 0.00 175.55 174.18 2cbh n SER 14 N 5.12 6.05 -4.53 4.32 3.41 -1.26 -4.86 113.62 121.86 2cbh n SER 14 Ca -0.12 -3.77 -0.27 0.00 -0.26 0.00 0.00 58.87 54.45 2cbh n SER 14 Cb 0.49 -0.70 -0.10 0.00 -0.26 0.00 0.00 64.21 63.64 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 -2.57 2.51 0.78 5.00 0.00 -1.26 -5.12 107.32 106.65 2cbh s GLY 15 Ca 0.52 -1.68 -0.13 0.00 0.00 0.00 0.00 44.72 43.43 2cbh s GLY 15 CO -0.18 -2.00 1.19 2.56 0.00 0.00 0.00 173.10 174.66 2cbh s PRO 16 N -3.80 1.87 -0.15 2.90 0.04 -1.26 -4.94 135.00 129.65 2cbh s PRO 16 Ca 0.28 1.68 0.18 0.00 0.04 0.00 0.00 61.00 63.17 2cbh s PRO 16 Cb 0.07 -1.81 0.37 0.00 0.04 0.00 0.00 34.50 33.17 2cbh s PRO 16 CO 0.14 -2.03 1.24 0.25 0.04 0.00 0.00 177.00 176.64 2cbh n THR 17 N -3.14 2.04 -3.11 1.26 -2.24 -1.26 -4.74 114.28 103.09 2cbh n THR 17 Ca 0.13 -2.17 -0.40 0.00 -2.27 0.00 0.00 64.05 59.33 2cbh n THR 17 Cb 0.51 -0.25 -0.06 0.00 -2.10 0.00 0.00 70.33 68.43 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 -2.88 4.99 0.49 2.28 1.01 -1.26 -4.84 120.40 120.19 2cbh s VAL 18 Ca 0.36 1.15 -0.12 0.00 0.00 0.00 0.00 61.98 63.37 2cbh s VAL 18 Cb 0.30 -3.94 -0.06 0.00 0.00 0.00 0.00 36.38 32.68 2cbh s VAL 18 CO 0.05 0.05 0.89 0.00 0.00 0.00 0.00 175.10 176.08 2cbh n ALA 20 N -1.81 0.47 -1.56 0.00 0.00 -0.29 -4.66 120.51 112.65 2cbh n ALA 20 Ca 0.04 -0.17 -0.41 0.00 0.00 0.00 0.00 53.44 52.90 2cbh n ALA 20 Cb 0.54 -2.27 0.01 0.00 0.00 0.00 0.00 19.45 17.74 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 -2.47 0.46 0.00 0.00 7.64 -1.26 -1.69 113.62 116.30 2cbh n SER 21 Ca 0.15 0.97 0.00 0.00 1.01 0.00 0.00 58.87 60.99 2cbh n SER 21 Cb 0.49 -1.27 0.00 0.00 -1.01 0.00 0.00 64.21 62.42 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 1.40 1.77 3.39 0.23 0.00 -1.26 -5.03 105.19 105.70 2cbh n GLY 22 Ca 0.11 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.93 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 -2.38 1.54 0.14 2.61 -4.23 -0.68 -5.05 115.64 107.59 2cbh s THR 23 Ca 0.00 -2.13 0.05 0.00 -1.18 0.00 0.00 61.69 58.43 2cbh s THR 23 Cb 0.00 -2.32 -0.04 0.00 1.34 0.00 0.00 72.50 71.48 2cbh s THR 23 CO 0.00 -0.39 -0.11 0.42 -0.54 0.00 0.00 174.62 174.01 2cbh s THR 24 N -3.08 1.19 -0.06 3.99 -4.23 0.69 -4.68 115.64 109.46 2cbh s THR 24 Ca 0.27 -1.99 -0.20 0.00 -1.18 0.00 0.00 61.69 58.59 2cbh s THR 24 Cb 0.03 -1.77 -0.04 0.00 1.34 0.00 0.00 72.50 72.05 2cbh s THR 24 CO 0.10 -0.68 0.57 0.00 -0.54 0.00 0.00 174.62 174.07 2cbh s GLN 26 N 0.36 1.20 -0.17 0.00 1.11 0.13 -4.97 119.66 117.33 2cbh s GLN 26 Ca 0.31 -0.18 -0.34 0.00 0.01 0.00 0.00 55.36 55.15 2cbh s GLN 26 Cb -0.17 -1.47 -0.11 0.00 -1.01 0.00 0.00 33.01 30.25 2cbh s GLN 26 CO 0.15 -0.31 1.96 0.28 0.01 0.00 0.00 175.29 177.38 2cbh n VAL 27 N 5.00 0.47 -0.06 1.09 0.31 -1.26 -1.93 118.33 121.95 2cbh n VAL 27 Ca -0.11 -0.17 -0.04 0.00 -0.01 0.00 0.00 64.34 64.02 2cbh n VAL 27 Cb 0.50 -1.86 -0.03 0.00 -0.91 0.00 0.00 33.84 31.54 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 10.24 0.00 -8.32 7.52 7.12 -1.05 -3.46 115.31 127.35 2cbh h LEU 28 Ca -0.44 -0.18 -0.16 0.00 0.13 0.00 0.00 57.88 57.24 2cbh h LEU 28 Cb 1.28 0.00 -0.06 0.00 -0.53 0.00 0.00 40.66 41.35 2cbh h LEU 28 CO 0.96 0.67 -0.05 0.20 -0.13 0.00 0.00 178.44 180.10 2cbh s ASN 29 N -5.75 0.46 0.00 1.25 0.01 0.09 -4.98 114.94 106.02 2cbh s ASN 29 Ca -0.07 -1.27 0.00 0.00 -0.71 0.00 0.00 52.86 50.81 2cbh s ASN 29 Cb 0.00 0.70 0.00 0.00 0.41 0.00 0.00 41.25 42.36 2cbh s ASN 29 CO 0.17 -1.37 0.29 -2.65 -1.51 0.00 0.00 177.10 172.03 2cbh n PRO 30 N -0.52 0.40 -0.25 -0.60 -0.02 -1.26 -1.69 135.00 131.05 2cbh n PRO 30 Ca -0.02 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.46 2cbh n PRO 30 Cb 0.61 -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 0.53 0.00 -3.45 6.00 4.02 -1.26 -3.15 117.16 119.85 2cbh n TYR 31 Ca 0.00 0.00 0.01 0.00 -0.01 0.00 0.00 57.90 57.90 2cbh n TYR 31 Cb 0.15 0.14 -0.05 0.00 -0.02 0.00 0.00 39.34 39.56 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 -0.19 -0.72 5.04 -0.69 -4.36 117.35 116.08 2cbh s TYR 32 Ca 0.00 0.66 0.01 0.00 -2.44 0.00 0.00 57.07 55.29 2cbh s TYR 32 Cb 0.00 0.21 0.04 0.00 0.35 0.00 0.00 41.96 42.56 2cbh s TYR 32 CO 0.00 -0.18 -0.10 -1.12 -1.34 0.00 0.00 175.55 172.81 2cbh s SER 33 N 1.79 3.22 0.20 4.32 0.01 -0.90 -0.40 113.70 121.93 2cbh s SER 33 Ca -0.04 -0.80 -0.05 0.00 1.31 0.00 0.00 55.95 56.36 2cbh s SER 33 Cb -0.03 -1.18 -0.06 0.00 0.21 0.00 0.00 66.02 64.96 2cbh s SER 33 CO -0.15 -0.14 0.44 -1.58 0.41 0.00 0.00 173.24 172.22 2cbh s GLN 34 N 1.44 3.63 -0.44 12.44 2.00 -0.81 0.47 119.66 138.39 2cbh s GLN 34 Ca -0.00 -0.06 -0.14 0.00 -2.00 0.00 0.00 55.36 53.16 2cbh s GLN 34 Cb -0.16 -2.77 0.05 0.00 0.80 0.00 0.00 33.01 30.93 2cbh s GLN 34 CO -0.08 0.38 0.34 0.00 -0.50 0.00 0.00 175.29 175.42