#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bjc s ALA 2 N 0.00 -1.46 -0.75 2.24 0.00 -1.26 -5.03 121.76 115.50 1bjc s ALA 2 Ca 0.00 1.97 0.03 0.00 0.00 0.00 0.00 51.96 53.96 1bjc s ALA 2 Cb 0.00 -1.19 0.20 0.00 0.00 0.00 0.00 23.12 22.13 1bjc s ALA 2 CO 0.00 -0.34 0.85 -0.85 0.00 0.00 0.00 175.76 175.41 1bjc n GLU 3 N 4.34 1.91 -3.55 0.00 -0.00 -1.26 -4.87 120.64 117.22 1bjc n GLU 3 Ca -0.21 -0.78 -0.25 0.00 -0.00 0.00 0.00 57.16 55.92 1bjc n GLU 3 Cb 0.57 -1.66 0.05 0.00 -0.00 0.00 0.00 31.44 30.40 1bjc n GLU 3 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.13 178.32 1bjc n PHE 4 N 0.15 -2.08 -1.74 -1.84 3.72 -1.26 -4.86 117.46 109.55 1bjc n PHE 4 Ca 0.08 0.63 -0.41 0.00 -0.05 0.00 0.00 57.45 57.69 1bjc n PHE 4 Cb 0.51 -3.78 -0.01 0.00 -0.94 0.00 0.00 39.48 35.27 1bjc n PHE 4 CO 0.00 0.00 0.00 -2.13 -0.05 0.00 0.00 176.76 174.58 1bjc n ARG 5 N -3.90 3.16 0.10 -1.08 0.63 -1.26 -3.66 116.66 110.65 1bjc n ARG 5 Ca -0.11 -2.67 0.00 0.00 -0.92 0.00 0.00 57.85 54.15 1bjc n ARG 5 Cb 0.61 -3.13 0.00 0.00 0.45 0.00 0.00 32.46 30.39 1bjc n ARG 5 CO 0.00 0.00 0.00 0.72 -2.51 0.00 0.00 177.63 175.84 1bjc n HIS 6 N 5.21 -3.17 -3.61 -0.14 8.25 -1.26 -5.06 115.22 115.43 1bjc n HIS 6 Ca 0.56 0.70 -0.24 0.00 -0.26 0.00 0.00 57.72 58.48 1bjc n HIS 6 Cb 0.35 1.96 0.04 0.00 1.12 0.00 0.00 29.99 33.47 1bjc n HIS 6 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 1bjc n ASP 7 N -2.86 -3.68 0.02 0.41 2.03 -1.24 -4.87 116.55 106.36 1bjc n ASP 7 Ca 0.00 -0.88 0.11 0.00 0.52 0.00 0.00 54.79 54.54 1bjc n ASP 7 Cb 0.00 -4.01 0.54 0.00 -0.72 0.00 0.00 41.12 36.94 1bjc n ASP 7 CO 0.00 0.00 0.00 0.77 -1.92 0.00 0.00 177.20 176.05 1bjc h SER 8 N -1.72 0.26 -0.35 1.67 4.64 -1.97 -1.36 113.55 114.71 1bjc h SER 8 Ca -0.63 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.69 1bjc h SER 8 Cb 1.35 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 63.39 1bjc h SER 8 CO 0.51 0.17 0.00 0.61 -0.87 0.00 0.00 176.83 177.25 1bjc n GLY 9 N -1.53 1.95 1.37 -0.77 0.00 -1.26 -5.04 105.19 99.91 1bjc n GLY 9 Ca 0.06 -0.50 0.13 0.00 0.00 0.00 0.00 46.02 45.70 1bjc n GLY 9 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1bjc n TYR 10 N 0.46 -3.71 -3.56 1.61 9.36 -0.51 -5.07 117.16 115.74 1bjc n TYR 10 Ca 0.15 2.04 0.02 0.00 3.32 0.00 0.00 57.90 63.43 1bjc n TYR 10 Cb 0.67 -3.32 -0.06 0.00 -0.63 0.00 0.00 39.34 36.00 1bjc n TYR 10 CO 0.00 0.00 0.00 -2.00 0.22 0.00 0.00 176.86 175.08 1bjc s GLU 11 N -4.48 0.11 0.00 2.98 2.56 -1.26 -5.04 118.70 113.56 1bjc s GLU 11 Ca 0.00 0.20 0.00 0.00 0.00 0.00 0.00 54.97 55.17 1bjc s GLU 11 Cb 0.00 0.05 0.00 0.00 2.00 0.00 0.00 34.13 36.18 1bjc s GLU 11 CO 0.00 -0.03 0.00 0.28 -0.56 0.00 0.00 175.26 174.95 1bjc n VAL 12 N 3.52 0.00 0.00 3.70 0.31 -1.26 -5.04 118.33 119.56 1bjc n VAL 12 Ca -0.15 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.18 1bjc n VAL 12 Cb 0.56 -0.36 0.00 0.00 -0.91 0.00 0.00 33.84 33.14 1bjc n VAL 12 CO 0.00 0.00 0.00 1.41 -1.32 0.00 0.00 176.83 176.92 1bjc n HIS 13 N -1.49 0.00 -3.61 3.52 -0.00 -1.26 -4.76 115.22 107.61 1bjc n HIS 13 Ca 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 57.72 57.69 1bjc n HIS 13 Cb 0.22 0.00 -0.02 0.00 -0.00 0.00 0.00 29.99 30.20 1bjc n HIS 13 CO 0.00 0.00 0.00 -3.38 -0.00 0.00 0.00 176.34 172.96 1bjc s HIS 14 N 0.00 -0.08 -0.37 4.41 -3.43 -1.26 -5.08 115.29 109.48 1bjc s HIS 14 Ca 0.00 0.04 0.06 0.00 -0.80 0.00 0.00 55.06 54.36 1bjc s HIS 14 Cb 0.00 0.51 0.27 0.00 -1.43 0.00 0.00 32.58 31.94 1bjc s HIS 14 CO 0.00 -0.14 1.24 0.00 -2.00 0.00 0.00 174.74 173.84 1bjc n GLN 15 N -0.13 0.79 0.06 -0.38 10.64 -1.26 -4.85 117.38 122.25 1bjc n GLN 15 Ca 0.01 -1.40 0.00 0.00 -1.83 0.00 0.00 57.00 53.77 1bjc n GLN 15 Cb 0.58 -0.13 0.00 0.00 -0.86 0.00 0.00 30.24 29.83 1bjc n GLN 15 CO 0.00 0.00 0.00 0.34 -1.83 0.00 0.00 177.06 175.57 1bjc n PHE 16 N -0.41 -0.90 -0.10 2.61 7.35 -1.26 -4.21 117.46 120.54 1bjc n PHE 16 Ca -0.10 0.16 -0.13 0.00 -0.76 0.00 0.00 57.45 56.62 1bjc n PHE 16 Cb 0.76 0.37 -0.01 0.00 0.35 0.00 0.00 39.48 40.95 1bjc n PHE 16 CO 0.00 0.00 0.00 -0.07 -0.76 0.00 0.00 176.76 175.93 1bjc h LEU 17 N 0.00 0.95 0.03 -2.13 4.07 -1.98 -1.69 115.31 114.57 1bjc h LEU 17 Ca 0.00 -0.45 -0.24 0.00 0.08 0.00 0.00 57.88 57.27 1bjc h LEU 17 Cb 0.16 -0.27 0.02 0.00 1.08 0.00 0.00 40.66 41.66 1bjc h LEU 17 CO 0.00 1.24 -0.96 0.58 -1.08 0.00 0.00 178.44 178.21 1bjc h VAL 18 N 0.72 1.33 0.00 1.22 2.07 -1.89 -3.04 116.25 116.66 1bjc h VAL 18 Ca 0.05 -2.26 -0.00 0.00 0.82 0.00 0.00 66.70 65.31 1bjc h VAL 18 Cb 1.01 2.54 -0.00 0.00 -1.52 0.00 0.00 31.29 33.31 1bjc h VAL 18 CO 0.10 0.68 -0.01 0.15 0.02 0.00 0.00 177.57 178.51 1bjc h PHE 19 N 0.21 0.00 -0.01 1.57 3.57 -1.70 0.56 116.94 121.14 1bjc h PHE 19 Ca -0.13 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.37 1bjc h PHE 19 Cb 1.64 0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.38 1bjc h PHE 19 CO 0.12 0.01 -0.19 0.34 -2.23 0.00 0.00 178.31 176.37 1bjc n PHE 20 N -3.25 0.00 0.00 0.41 7.35 -0.65 -4.09 117.46 117.24 1bjc n PHE 20 Ca -0.02 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.67 1bjc n PHE 20 Cb 0.12 -0.07 0.00 0.00 0.35 0.00 0.00 39.48 39.88 1bjc n PHE 20 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1bjc n ALA 21 N -0.22 1.60 0.01 3.13 0.00 -0.22 -2.89 120.51 121.92 1bjc n ALA 21 Ca 0.14 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.42 1bjc n ALA 21 Cb 0.38 0.15 -0.05 0.00 0.00 0.00 0.00 19.45 19.93 1bjc n ALA 21 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1bjc h GLU 22 N 0.00 0.66 0.00 0.00 4.22 -1.20 -1.65 114.58 116.61 1bjc h GLU 22 Ca 0.00 -0.58 -0.02 0.00 0.08 0.00 0.00 59.36 58.85 1bjc h GLU 22 Cb 0.51 0.13 -0.00 0.00 0.50 0.00 0.00 28.75 29.89 1bjc h GLU 22 CO 0.00 1.19 -0.47 -0.44 -2.18 0.00 0.00 179.01 177.10 1bjc h ASP 23 N 0.43 0.00 0.03 1.04 5.19 -1.72 -3.43 116.42 117.97 1bjc h ASP 23 Ca -0.06 -0.05 -0.00 0.00 -0.62 0.00 0.00 57.03 56.30 1bjc h ASP 23 Cb 1.44 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.95 1bjc h ASP 23 CO 0.16 0.77 -0.02 0.58 -3.12 0.00 0.00 179.24 177.61 1bjc h VAL 24 N -1.00 0.83 -2.63 -1.35 2.07 -1.72 -3.49 116.25 108.96 1bjc h VAL 24 Ca -0.03 -1.54 -0.13 0.00 0.82 0.00 0.00 66.70 65.83 1bjc h VAL 24 Cb 0.49 1.54 0.05 0.00 -1.52 0.00 0.00 31.29 31.84 1bjc h VAL 24 CO -0.02 0.27 -0.22 0.61 0.02 0.00 0.00 177.57 178.23 1bjc n GLY 25 N 1.51 0.44 0.38 2.17 0.00 -0.62 -4.91 105.19 104.16 1bjc n GLY 25 Ca -0.05 -0.37 0.15 0.00 0.00 0.00 0.00 46.02 45.75 1bjc n GLY 25 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1bjc h SER 26 N -0.86 0.51 0.00 1.61 0.02 -1.78 -2.67 113.55 110.37 1bjc h SER 26 Ca -0.19 0.03 -0.06 0.00 -0.84 0.00 0.00 61.79 60.74 1bjc h SER 26 Cb 1.12 -0.06 -0.01 0.00 0.14 0.00 0.00 62.40 63.58 1bjc h SER 26 CO 0.18 0.25 -1.59 -0.46 -1.14 0.00 0.00 176.83 174.07 1bjc n ASN 27 N -4.52 2.41 0.00 3.07 6.94 -1.26 -5.15 115.26 116.74 1bjc n ASN 27 Ca 0.17 0.00 0.10 0.00 -0.02 0.00 0.00 54.58 54.83 1bjc n ASN 27 Cb 0.54 1.27 0.59 0.00 -2.36 0.00 0.00 39.78 39.82 1bjc n ASN 27 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52