#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cbh s GLN 2 N 0.00 2.48 0.53 -0.78 2.00 0.08 -4.94 119.66 119.03 1cbh s GLN 2 Ca 0.00 -1.61 0.03 0.00 -2.00 0.00 0.00 55.36 51.79 1cbh s GLN 2 Cb 0.00 -2.36 0.02 0.00 0.80 0.00 0.00 33.01 31.47 1cbh s GLN 2 CO 0.00 -0.29 0.23 -1.54 -0.50 0.00 0.00 175.29 173.20 1cbh s SER 3 N -4.18 4.42 0.40 6.67 1.04 -1.26 -1.18 113.70 119.60 1cbh s SER 3 Ca 0.47 -1.43 -0.27 0.00 0.48 0.00 0.00 55.95 55.20 1cbh s SER 3 Cb -0.03 0.49 -0.10 0.00 0.10 0.00 0.00 66.02 66.48 1cbh s SER 3 CO 0.28 -1.01 1.44 -2.28 0.98 0.00 0.00 173.24 172.64 1cbh s HIS 4 N -2.82 2.61 -1.76 5.02 5.65 -1.26 -0.96 115.29 121.77 1cbh s HIS 4 Ca 0.21 1.24 0.00 0.00 0.25 0.00 0.00 55.06 56.76 1cbh s HIS 4 Cb -0.01 -3.93 0.00 0.00 -1.18 0.00 0.00 32.58 27.46 1cbh s HIS 4 CO 0.13 -2.80 0.00 0.66 -0.65 0.00 0.00 174.74 172.08 1cbh n TYR 5 N 0.27 -0.13 -3.55 3.88 4.01 0.62 -4.96 117.16 117.29 1cbh n TYR 5 Ca 0.02 0.00 -0.29 0.00 -0.16 0.00 0.00 57.90 57.47 1cbh n TYR 5 Cb 0.41 -3.01 -0.04 0.00 -0.31 0.00 0.00 39.34 36.39 1cbh n TYR 5 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 1cbh s GLY 6 N -2.73 1.94 -0.44 2.72 0.00 -0.14 -4.67 107.32 104.00 1cbh s GLY 6 Ca 0.00 -0.64 -0.29 0.00 0.00 0.00 0.00 44.72 43.79 1cbh s GLY 6 CO 0.00 -0.56 1.10 1.62 0.00 0.00 0.00 173.10 175.26 1cbh s GLN 7 N -3.22 3.78 -0.04 2.90 0.74 -1.26 -0.26 119.66 122.29 1cbh s GLN 7 Ca 0.41 0.63 0.21 0.00 0.05 0.00 0.00 55.36 56.66 1cbh s GLN 7 Cb -0.11 -3.87 -0.27 0.00 1.10 0.00 0.00 33.01 29.86 1cbh s GLN 7 CO 0.28 -1.26 0.46 0.00 -0.55 0.00 0.00 175.29 174.22 1cbh n GLY 9 N 1.39 3.70 0.00 0.00 0.00 -1.11 -3.92 105.19 105.25 1cbh n GLY 9 Ca -0.11 -1.18 0.00 0.00 0.00 0.00 0.00 46.02 44.73 1cbh n GLY 9 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1cbh n GLY 10 N 0.00 2.80 3.46 -0.02 0.00 -1.26 -1.46 105.19 108.71 1cbh n GLY 10 Ca 0.00 -1.43 -0.38 0.00 0.00 0.00 0.00 46.02 44.21 1cbh n GLY 10 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1cbh n ILE 11 N 1.35 2.15 -0.15 -0.61 5.41 -1.25 -0.93 119.36 125.33 1cbh n ILE 11 Ca 0.00 -0.50 0.00 0.00 1.00 0.00 0.00 62.75 63.25 1cbh n ILE 11 Cb 0.00 -0.65 0.00 0.00 -0.71 0.00 0.00 39.64 38.28 1cbh n ILE 11 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1cbh n GLY 12 N 1.81 2.68 3.69 7.39 0.00 -1.26 -4.67 105.19 114.83 1cbh n GLY 12 Ca 0.11 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.74 1cbh n GLY 12 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1cbh s TYR 13 N -3.14 3.46 -0.32 1.61 5.04 -0.10 -4.95 117.35 118.93 1cbh s TYR 13 Ca 0.00 0.99 0.09 0.00 -2.44 0.00 0.00 57.07 55.71 1cbh s TYR 13 Cb 0.00 -2.73 0.46 0.00 0.35 0.00 0.00 41.96 40.04 1cbh s TYR 13 CO 0.00 -0.02 1.15 -1.13 -1.34 0.00 0.00 175.55 174.21 1cbh n SER 14 N 4.37 4.35 -4.61 4.32 3.41 -1.26 -4.90 113.62 119.30 1cbh n SER 14 Ca -0.03 -3.51 -0.30 0.00 -0.26 0.00 0.00 58.87 54.77 1cbh n SER 14 Cb 0.51 -0.39 -0.09 0.00 -0.26 0.00 0.00 64.21 63.98 1cbh n SER 14 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1cbh s GLY 15 N -3.59 2.80 0.81 5.00 0.00 -1.26 -5.12 107.32 105.96 1cbh s GLY 15 Ca 0.47 -1.00 -0.13 0.00 0.00 0.00 0.00 44.72 44.06 1cbh s GLY 15 CO -0.02 -2.10 1.18 2.56 0.00 0.00 0.00 173.10 174.72 1cbh s PRO 16 N -3.82 1.66 -0.07 2.90 0.04 -1.26 -4.95 135.00 129.50 1cbh s PRO 16 Ca 0.16 1.67 0.10 0.00 0.04 0.00 0.00 61.00 62.98 1cbh s PRO 16 Cb 0.04 -1.79 0.17 0.00 0.04 0.00 0.00 34.50 32.96 1cbh s PRO 16 CO 0.09 -2.18 1.09 0.25 0.04 0.00 0.00 177.00 176.29 1cbh n THR 17 N -3.38 1.48 -3.27 1.26 -2.24 -1.25 -4.60 114.28 102.28 1cbh n THR 17 Ca 0.13 -1.66 -0.42 0.00 -2.27 0.00 0.00 64.05 59.83 1cbh n THR 17 Cb 0.51 0.11 -0.08 0.00 -2.10 0.00 0.00 70.33 68.77 1cbh n THR 17 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1cbh s VAL 18 N -1.99 5.04 0.49 2.28 1.01 -1.26 -4.87 120.40 121.09 1cbh s VAL 18 Ca 0.18 0.14 -0.20 0.00 0.00 0.00 0.00 61.98 62.10 1cbh s VAL 18 Cb 0.15 -3.97 -0.08 0.00 0.00 0.00 0.00 36.38 32.48 1cbh s VAL 18 CO 0.02 -0.26 1.04 0.00 0.00 0.00 0.00 175.10 175.89 1cbh n ALA 20 N -1.02 -1.99 -1.66 0.00 0.00 -0.33 -4.72 120.51 110.80 1cbh n ALA 20 Ca 0.09 -0.54 -0.38 0.00 0.00 0.00 0.00 53.44 52.61 1cbh n ALA 20 Cb 0.53 -1.91 0.05 0.00 0.00 0.00 0.00 19.45 18.12 1cbh n ALA 20 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1cbh n SER 21 N -1.87 1.44 0.00 0.00 7.64 -1.26 -2.07 113.62 117.50 1cbh n SER 21 Ca 0.08 0.87 0.00 0.00 1.01 0.00 0.00 58.87 60.83 1cbh n SER 21 Cb 0.53 -1.45 0.00 0.00 -1.01 0.00 0.00 64.21 62.27 1cbh n SER 21 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1cbh n GLY 22 N 1.11 2.78 3.74 0.23 0.00 -1.26 -5.00 105.19 106.78 1cbh n GLY 22 Ca 0.13 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.86 1cbh n GLY 22 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1cbh s THR 23 N -2.07 1.66 0.13 2.61 -4.23 -0.88 -5.05 115.64 107.81 1cbh s THR 23 Ca 0.00 -1.88 -0.06 0.00 -1.18 0.00 0.00 61.69 58.57 1cbh s THR 23 Cb 0.00 -2.54 -0.02 0.00 1.34 0.00 0.00 72.50 71.28 1cbh s THR 23 CO 0.00 0.00 0.17 0.42 -0.54 0.00 0.00 174.62 174.67 1cbh s THR 24 N -2.77 0.10 -0.01 3.99 -4.23 0.21 -4.78 115.64 108.16 1cbh s THR 24 Ca 0.24 -1.56 -0.22 0.00 -1.18 0.00 0.00 61.69 58.97 1cbh s THR 24 Cb 0.04 -1.79 -0.05 0.00 1.34 0.00 0.00 72.50 72.04 1cbh s THR 24 CO 0.13 -0.47 0.64 0.00 -0.54 0.00 0.00 174.62 174.38 1cbh s GLN 26 N 0.09 1.19 0.06 0.00 -0.21 0.14 -4.92 119.66 116.03 1cbh s GLN 26 Ca 0.34 -0.44 -0.30 0.00 0.02 0.00 0.00 55.36 54.97 1cbh s GLN 26 Cb -0.18 -1.92 -0.09 0.00 1.00 0.00 0.00 33.01 31.82 1cbh s GLN 26 CO 0.18 -0.46 1.87 0.08 -2.12 0.00 0.00 175.29 174.84 1cbh s VAL 27 N 1.71 2.88 -0.08 1.09 1.01 -1.26 -0.99 120.40 124.76 1cbh s VAL 27 Ca 0.01 0.12 -0.04 0.00 0.00 0.00 0.00 61.98 62.07 1cbh s VAL 27 Cb -0.15 -3.08 -0.01 0.00 0.00 0.00 0.00 36.38 33.13 1cbh s VAL 27 CO -0.07 -0.01 -0.07 0.25 0.00 0.00 0.00 175.10 175.20 1cbh h LEU 28 N 9.68 0.00 -8.83 3.92 5.85 -0.81 -3.46 115.31 121.66 1cbh h LEU 28 Ca -0.47 0.00 -0.41 0.00 0.84 0.00 0.00 57.88 57.84 1cbh h LEU 28 Cb 1.22 0.00 -0.14 0.00 0.37 0.00 0.00 40.66 42.12 1cbh h LEU 28 CO 0.94 0.42 -0.53 0.20 -0.34 0.00 0.00 178.44 179.14 1cbh s ASN 29 N -4.81 1.29 0.00 1.25 0.02 0.07 -4.98 114.94 107.78 1cbh s ASN 29 Ca -0.06 -1.66 0.00 0.00 -1.02 0.00 0.00 52.86 50.13 1cbh s ASN 29 Cb 0.01 0.50 0.00 0.00 0.02 0.00 0.00 41.25 41.78 1cbh s ASN 29 CO 0.09 -1.00 0.32 -2.65 0.02 0.00 0.00 177.10 173.88 1cbh n PRO 30 N -0.53 0.43 -0.09 -0.60 -0.02 -1.26 -1.53 135.00 131.39 1cbh n PRO 30 Ca 0.06 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.54 1cbh n PRO 30 Cb 0.63 -1.25 0.00 0.00 -0.02 0.00 0.00 33.50 32.86 1cbh n PRO 30 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1cbh n TYR 31 N 0.54 0.00 -3.64 6.00 4.01 -1.26 -3.78 117.16 119.02 1cbh n TYR 31 Ca 0.00 0.00 -0.02 0.00 -0.16 0.00 0.00 57.90 57.72 1cbh n TYR 31 Cb 0.16 0.10 -0.07 0.00 -0.31 0.00 0.00 39.34 39.23 1cbh n TYR 31 CO 0.00 0.00 0.00 -0.47 -0.46 0.00 0.00 176.86 175.93 1cbh s TYR 32 N 0.00 -0.50 -0.14 -0.72 5.04 -0.58 -4.36 117.35 116.09 1cbh s TYR 32 Ca 0.00 1.02 -0.02 0.00 -2.44 0.00 0.00 57.07 55.63 1cbh s TYR 32 Cb 0.00 0.31 0.04 0.00 0.35 0.00 0.00 41.96 42.67 1cbh s TYR 32 CO 0.00 -0.25 -0.00 -1.12 -1.34 0.00 0.00 175.55 172.84 1cbh s SER 33 N 1.21 2.39 0.30 4.32 0.01 -0.54 -0.08 113.70 121.31 1cbh s SER 33 Ca -0.08 -0.50 -0.02 0.00 1.31 0.00 0.00 55.95 56.66 1cbh s SER 33 Cb -0.04 -0.63 -0.04 0.00 0.21 0.00 0.00 66.02 65.53 1cbh s SER 33 CO -0.14 -0.23 0.53 -1.58 0.41 0.00 0.00 173.24 172.23 1cbh s GLN 34 N 1.84 3.56 -0.34 12.44 0.74 -0.17 -0.77 119.66 136.97 1cbh s GLN 34 Ca 0.02 -0.17 -0.12 0.00 0.05 0.00 0.00 55.36 55.15 1cbh s GLN 34 Cb -0.15 -2.68 -0.00 0.00 1.10 0.00 0.00 33.01 31.28 1cbh s GLN 34 CO -0.07 0.22 0.21 0.00 -0.55 0.00 0.00 175.29 175.10