#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 2.99 0.61 -2.82 2.00 0.90 -4.95 119.66 118.39 2cbh s GLN 2 Ca 0.00 -0.61 0.03 0.00 -2.00 0.00 0.00 55.36 52.78 2cbh s GLN 2 Cb 0.00 -2.80 0.12 0.00 0.80 0.00 0.00 33.01 31.13 2cbh s GLN 2 CO 0.00 0.59 0.84 -1.13 -0.50 0.00 0.00 175.29 175.09 2cbh n SER 3 N 0.65 1.42 -4.72 6.67 3.41 -1.26 0.36 113.62 120.15 2cbh n SER 3 Ca -0.09 -2.13 -0.37 0.00 -0.26 0.00 0.00 58.87 56.02 2cbh n SER 3 Cb 0.52 -0.51 0.07 0.00 -0.26 0.00 0.00 64.21 64.03 2cbh n SER 3 CO 0.00 0.00 0.00 1.57 -0.16 0.00 0.00 175.04 176.45 2cbh n HIS 4 N -2.52 1.84 -0.84 7.33 -0.00 -1.26 -1.53 115.22 118.24 2cbh n HIS 4 Ca 0.15 0.42 0.00 0.00 -0.00 0.00 0.00 57.72 58.29 2cbh n HIS 4 Cb 0.53 -2.25 0.00 0.00 -0.00 0.00 0.00 29.99 28.27 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 -2.01 0.00 -3.16 1.57 4.01 0.12 -4.92 117.16 112.78 2cbh n TYR 5 Ca 0.16 0.00 -0.29 0.00 -0.16 0.00 0.00 57.90 57.61 2cbh n TYR 5 Cb 0.48 -1.76 -0.03 0.00 -0.31 0.00 0.00 39.34 37.72 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 -1.70 1.83 -0.13 2.72 0.00 -0.58 -4.56 107.32 104.90 2cbh s GLY 6 Ca 0.00 -0.47 -0.29 0.00 0.00 0.00 0.00 44.72 43.95 2cbh s GLY 6 CO 0.00 -0.34 1.18 1.62 0.00 0.00 0.00 173.10 175.56 2cbh s GLN 7 N -3.75 4.30 -0.05 2.90 0.74 -1.26 -0.30 119.66 122.24 2cbh s GLN 7 Ca 0.46 1.58 0.12 0.00 0.05 0.00 0.00 55.36 57.57 2cbh s GLN 7 Cb -0.10 -3.65 -0.17 0.00 1.10 0.00 0.00 33.01 30.18 2cbh s GLN 7 CO 0.32 -0.57 0.19 0.00 -0.55 0.00 0.00 175.29 174.68 2cbh n GLY 9 N 1.97 3.90 0.00 0.00 0.00 -1.13 -3.75 105.19 106.18 2cbh n GLY 9 Ca -0.08 -0.93 0.00 0.00 0.00 0.00 0.00 46.02 45.01 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 2.63 3.69 -0.02 0.00 -1.26 -1.69 105.19 108.53 2cbh n GLY 10 Ca 0.00 -1.68 -0.34 0.00 0.00 0.00 0.00 46.02 44.00 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 1.04 2.61 -0.34 -0.61 5.41 -1.25 -1.80 119.36 124.42 2cbh n ILE 11 Ca 0.00 -0.27 0.00 0.00 1.00 0.00 0.00 62.75 63.48 2cbh n ILE 11 Cb 0.00 -1.24 0.00 0.00 -0.71 0.00 0.00 39.64 37.69 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 0.68 1.50 3.53 7.39 0.00 -1.26 -4.66 105.19 112.37 2cbh n GLY 12 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.66 3.15 -0.72 1.61 5.04 -0.74 -4.96 117.35 118.08 2cbh s TYR 13 Ca 0.00 0.02 0.02 0.00 -2.44 0.00 0.00 57.07 54.67 2cbh s TYR 13 Cb 0.00 -3.00 0.36 0.00 0.35 0.00 0.00 41.96 39.67 2cbh s TYR 13 CO 0.00 -0.64 1.45 -1.13 -1.34 0.00 0.00 175.55 173.89 2cbh n SER 14 N 5.81 5.94 -3.77 4.32 3.41 -1.26 -4.84 113.62 123.22 2cbh n SER 14 Ca -0.05 -3.73 -0.24 0.00 -0.26 0.00 0.00 58.87 54.59 2cbh n SER 14 Cb 0.48 -0.80 -0.07 0.00 -0.26 0.00 0.00 64.21 63.56 2cbh n SER 14 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2cbh n GLY 15 N -0.32 3.17 3.72 5.00 0.00 -1.26 -5.13 105.19 110.36 2cbh n GLY 15 Ca 0.42 -2.08 -0.34 0.00 0.00 0.00 0.00 46.02 44.02 2cbh n GLY 15 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2cbh s PRO 16 N -3.53 2.16 -0.12 1.61 0.04 -1.26 -4.95 135.00 128.95 2cbh s PRO 16 Ca 0.24 1.75 0.16 0.00 0.04 0.00 0.00 61.00 63.19 2cbh s PRO 16 Cb 0.01 -1.84 0.38 0.00 0.04 0.00 0.00 34.50 33.09 2cbh s PRO 16 CO 0.17 -1.81 1.18 0.25 0.04 0.00 0.00 177.00 176.83 2cbh n THR 17 N -2.70 1.34 -3.61 1.26 -2.24 -1.25 -4.55 114.28 102.54 2cbh n THR 17 Ca 0.13 -2.22 -0.40 0.00 -2.27 0.00 0.00 64.05 59.29 2cbh n THR 17 Cb 0.50 0.19 -0.11 0.00 -2.10 0.00 0.00 70.33 68.81 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 -1.98 4.48 0.19 2.28 1.01 -1.26 -4.91 120.40 120.22 2cbh s VAL 18 Ca 0.33 -0.91 -0.30 0.00 0.00 0.00 0.00 61.98 61.10 2cbh s VAL 18 Cb 0.34 -3.52 -0.08 0.00 0.00 0.00 0.00 36.38 33.12 2cbh s VAL 18 CO -0.08 -0.24 0.99 0.00 0.00 0.00 0.00 175.10 175.76 2cbh n ALA 20 N 2.02 -1.29 -1.17 0.00 0.00 0.16 -4.75 120.51 115.48 2cbh n ALA 20 Ca 0.00 -0.03 -0.36 0.00 0.00 0.00 0.00 53.44 53.06 2cbh n ALA 20 Cb 0.47 -1.80 0.07 0.00 0.00 0.00 0.00 19.45 18.19 2cbh n ALA 20 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2cbh n SER 21 N 0.64 -2.17 0.00 0.00 3.41 -1.26 -2.27 113.62 111.96 2cbh n SER 21 Ca 0.11 0.52 0.00 0.00 -0.26 0.00 0.00 58.87 59.24 2cbh n SER 21 Cb 0.47 -1.12 0.00 0.00 -0.26 0.00 0.00 64.21 63.31 2cbh n SER 21 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2cbh n GLY 22 N 1.95 2.49 3.52 5.00 0.00 -1.26 -5.00 105.19 111.89 2cbh n GLY 22 Ca 0.08 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.22 0.78 0.11 2.61 -4.23 -0.96 -5.06 115.64 106.67 2cbh s THR 23 Ca 0.00 -2.00 -0.03 0.00 -1.18 0.00 0.00 61.69 58.48 2cbh s THR 23 Cb 0.00 -2.43 -0.03 0.00 1.34 0.00 0.00 72.50 71.38 2cbh s THR 23 CO 0.00 0.00 0.07 0.42 -0.54 0.00 0.00 174.62 174.57 2cbh s THR 24 N -3.20 0.14 -0.32 3.99 -4.23 0.59 -4.83 115.64 107.78 2cbh s THR 24 Ca 0.25 -1.73 -0.24 0.00 -1.18 0.00 0.00 61.69 58.78 2cbh s THR 24 Cb 0.04 -1.78 0.01 0.00 1.34 0.00 0.00 72.50 72.10 2cbh s THR 24 CO 0.14 -0.62 0.84 0.00 -0.54 0.00 0.00 174.62 174.43 2cbh s GLN 26 N 3.11 2.86 -0.29 0.00 -0.21 0.22 -4.94 119.66 120.41 2cbh s GLN 26 Ca 0.35 -0.49 -0.26 0.00 0.02 0.00 0.00 55.36 54.98 2cbh s GLN 26 Cb -0.14 -2.69 0.01 0.00 1.00 0.00 0.00 33.01 31.19 2cbh s GLN 26 CO 0.14 0.68 0.92 0.08 -2.12 0.00 0.00 175.29 174.98 2cbh s VAL 27 N -0.87 4.70 -0.08 1.09 1.01 -1.26 -0.32 120.40 124.66 2cbh s VAL 27 Ca 0.13 1.52 -0.01 0.00 0.00 0.00 0.00 61.98 63.62 2cbh s VAL 27 Cb -0.11 -4.25 -0.00 0.00 0.00 0.00 0.00 36.38 32.02 2cbh s VAL 27 CO 0.03 -0.29 -0.02 0.25 0.00 0.00 0.00 175.10 175.07 2cbh h LEU 28 N 9.62 0.00 -8.61 3.92 7.12 -1.22 -3.46 115.31 122.68 2cbh h LEU 28 Ca -0.22 0.00 -0.30 0.00 0.13 0.00 0.00 57.88 57.49 2cbh h LEU 28 Cb 1.08 0.00 -0.11 0.00 -0.53 0.00 0.00 40.66 41.10 2cbh h LEU 28 CO 0.94 0.40 -0.35 0.20 -0.13 0.00 0.00 178.44 179.50 2cbh s ASN 29 N -4.94 0.87 0.00 1.25 0.01 -0.21 -4.99 114.94 106.93 2cbh s ASN 29 Ca -0.02 -1.48 0.00 0.00 -0.71 0.00 0.00 52.86 50.65 2cbh s ASN 29 Cb 0.00 0.57 0.00 0.00 0.41 0.00 0.00 41.25 42.23 2cbh s ASN 29 CO 0.03 -1.12 0.31 -2.65 -1.51 0.00 0.00 177.10 172.15 2cbh n PRO 30 N -0.50 0.46 -0.49 -0.60 -0.02 -1.26 -1.77 135.00 130.82 2cbh n PRO 30 Ca 0.03 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.51 2cbh n PRO 30 Cb 0.63 -1.24 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 0.45 0.00 -3.29 6.00 4.02 -1.26 -3.80 117.16 119.28 2cbh n TYR 31 Ca 0.00 0.00 0.03 0.00 -0.01 0.00 0.00 57.90 57.92 2cbh n TYR 31 Cb 0.16 0.18 -0.03 0.00 -0.02 0.00 0.00 39.34 39.62 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 -0.49 -0.25 -0.72 5.04 -0.73 -4.58 117.35 115.62 2cbh s TYR 32 Ca 0.00 0.77 0.03 0.00 -2.44 0.00 0.00 57.07 55.43 2cbh s TYR 32 Cb 0.00 0.27 0.05 0.00 0.35 0.00 0.00 41.96 42.63 2cbh s TYR 32 CO 0.00 -0.25 -0.12 -1.12 -1.34 0.00 0.00 175.55 172.71 2cbh s SER 33 N 2.45 4.22 0.37 4.32 0.01 -0.68 -0.66 113.70 123.73 2cbh s SER 33 Ca -0.01 -1.26 -0.04 0.00 1.31 0.00 0.00 55.95 55.95 2cbh s SER 33 Cb -0.06 -1.54 -0.04 0.00 0.21 0.00 0.00 66.02 64.59 2cbh s SER 33 CO -0.16 -0.16 0.64 -1.58 0.41 0.00 0.00 173.24 172.39 2cbh s GLN 34 N 1.14 3.57 -0.26 12.44 0.74 0.56 -0.32 119.66 137.53 2cbh s GLN 34 Ca -0.06 -0.01 -0.10 0.00 0.05 0.00 0.00 55.36 55.24 2cbh s GLN 34 Cb -0.19 -2.55 -0.05 0.00 1.10 0.00 0.00 33.01 31.32 2cbh s GLN 34 CO -0.06 0.05 0.16 0.00 -0.55 0.00 0.00 175.29 174.89