#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tot s GLN 2 N 0.00 0.77 0.33 1.61 -2.07 -1.26 -3.64 119.66 115.40 1tot s GLN 2 Ca 0.00 -0.30 -0.05 0.00 -1.82 0.00 0.00 55.36 53.18 1tot s GLN 2 Cb 0.00 0.34 0.01 0.00 -1.09 0.00 0.00 33.01 32.27 1tot s GLN 2 CO 0.00 -0.23 0.50 0.34 -1.32 0.00 0.00 175.29 174.57 1tot s ASP 3 N -1.67 0.64 0.43 12.60 2.15 0.45 -4.92 116.67 126.35 1tot s ASP 3 Ca -0.09 -1.36 0.18 0.00 0.43 0.00 0.00 52.55 51.71 1tot s ASP 3 Cb -0.03 0.66 1.10 0.00 -0.30 0.00 0.00 42.92 44.36 1tot s ASP 3 CO 0.01 -1.30 1.87 0.08 -0.17 0.00 0.00 175.17 175.66 1tot h ARG 4 N 2.14 0.37 0.00 4.34 -0.00 -2.02 -3.30 114.38 115.91 1tot h ARG 4 Ca -0.29 -0.02 -0.08 0.00 -0.00 0.00 0.00 59.98 59.60 1tot h ARG 4 Cb 1.24 -0.08 -0.08 0.00 -0.00 0.00 0.00 29.97 31.05 1tot h ARG 4 CO 0.39 0.24 -0.17 1.97 -0.00 0.00 0.00 179.97 182.40 1tot n PHE 5 N -4.49 0.00 -4.02 4.08 1.16 -1.26 -5.12 117.46 107.81 1tot n PHE 5 Ca 0.18 -0.30 -0.10 0.00 -1.87 0.00 0.00 57.45 55.37 1tot n PHE 5 Cb 0.69 0.40 -0.11 0.00 -1.61 0.00 0.00 39.48 38.84 1tot n PHE 5 CO 0.00 0.00 0.00 0.08 -1.87 0.00 0.00 176.76 174.97 1tot s VAL 6 N 0.00 0.26 0.00 1.97 1.01 -1.24 -4.53 120.40 117.86 1tot s VAL 6 Ca 0.00 -1.08 0.00 0.00 0.00 0.00 0.00 61.98 60.90 1tot s VAL 6 Cb 0.00 -0.53 0.00 0.00 0.00 0.00 0.00 36.38 35.85 1tot s VAL 6 CO -0.00 -0.53 0.00 -1.22 0.00 0.00 0.00 175.10 173.35 1tot n TYR 7 N 1.36 -0.64 -4.45 5.22 4.01 0.80 -0.41 117.16 123.05 1tot n TYR 7 Ca -0.22 0.00 -0.22 0.00 -0.16 0.00 0.00 57.90 57.30 1tot n TYR 7 Cb 0.56 0.00 -0.10 0.00 -0.31 0.00 0.00 39.34 39.49 1tot n TYR 7 CO 0.00 0.00 0.00 0.95 -0.46 0.00 0.00 176.86 177.35 1tot s THR 8 N -2.72 0.90 -0.28 -0.72 -4.23 -1.24 -0.98 115.64 106.37 1tot s THR 8 Ca 0.00 -2.00 0.02 0.00 -1.18 0.00 0.00 61.69 58.53 1tot s THR 8 Cb 0.00 -2.62 0.06 0.00 1.34 0.00 0.00 72.50 71.28 1tot s THR 8 CO 0.00 0.00 -0.07 0.00 -0.54 0.00 0.00 174.62 174.01 1tot n ASN 10 N 4.44 0.00 -0.04 0.00 5.15 0.84 0.63 115.26 126.29 1tot n ASN 10 Ca -0.12 -0.37 -0.01 0.00 -0.60 0.00 0.00 54.58 53.49 1tot n ASN 10 Cb 0.42 -0.00 -0.14 0.00 -0.53 0.00 0.00 39.78 39.53 1tot n ASN 10 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 1tot n GLU 11 N -1.00 0.66 -0.01 1.20 -0.58 -1.25 -4.34 120.64 115.32 1tot n GLU 11 Ca 0.09 -0.01 0.04 0.00 -0.42 0.00 0.00 57.16 56.86 1tot n GLU 11 Cb 0.04 -1.60 -0.13 0.00 -0.57 0.00 0.00 31.44 29.18 1tot n GLU 11 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1tot n LYS 13 N -2.53 -4.69 -4.30 0.00 4.01 0.20 -4.98 118.16 105.88 1tot n LYS 13 Ca -0.11 0.52 -0.16 0.00 -0.51 0.00 0.00 58.31 58.05 1tot n LYS 13 Cb 0.75 -5.30 -0.10 0.00 -0.51 0.00 0.00 35.03 29.87 1tot n LYS 13 CO 0.00 0.00 0.00 -1.01 -1.11 0.00 0.00 177.40 175.28 1tot s HIS 14 N -3.37 1.46 0.57 2.13 3.76 -1.24 -4.98 115.29 113.62 1tot s HIS 14 Ca 0.59 -0.87 -0.18 0.00 -0.15 0.00 0.00 55.06 54.46 1tot s HIS 14 Cb -0.31 -0.81 -0.05 0.00 1.11 0.00 0.00 32.58 32.53 1tot s HIS 14 CO 0.86 -0.00 1.10 -1.58 -0.85 0.00 0.00 174.74 174.27 1tot s HIS 15 N -3.39 2.74 0.12 1.40 5.65 -1.26 -1.18 115.29 119.37 1tot s HIS 15 Ca 0.24 1.55 -0.08 0.00 0.25 0.00 0.00 55.06 57.02 1tot s HIS 15 Cb 0.05 -3.20 -0.01 0.00 -1.18 0.00 0.00 32.58 28.24 1tot s HIS 15 CO 0.06 -1.44 0.21 0.14 -0.65 0.00 0.00 174.74 173.06 1tot s VAL 16 N -2.01 0.11 -0.21 0.89 -7.23 -0.15 -4.75 120.40 107.04 1tot s VAL 16 Ca 0.70 -1.33 0.19 0.00 -1.81 0.00 0.00 61.98 59.73 1tot s VAL 16 Cb -0.21 -1.58 -0.27 0.00 0.56 0.00 0.00 36.38 34.88 1tot s VAL 16 CO 0.30 -0.52 0.50 -1.84 -0.31 0.00 0.00 175.10 173.23 1tot n GLU 17 N -0.11 0.65 -3.94 4.82 -0.00 -1.26 -0.14 120.64 120.66 1tot n GLU 17 Ca -0.12 -0.13 -0.15 0.00 -0.00 0.00 0.00 57.16 56.76 1tot n GLU 17 Cb 0.63 -1.43 -0.15 0.00 -0.00 0.00 0.00 31.44 30.48 1tot n GLU 17 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.13 178.12 1tot s THR 18 N -3.19 0.15 0.19 3.84 2.01 -1.26 -4.03 115.64 113.35 1tot s THR 18 Ca -0.04 0.02 -0.07 0.00 0.31 0.00 0.00 61.69 61.91 1tot s THR 18 Cb 0.13 -0.19 -0.02 0.00 0.01 0.00 0.00 72.50 72.42 1tot s THR 18 CO 0.78 0.09 0.28 0.00 -0.69 0.00 0.00 174.62 175.08 1tot s ARG 19 N 0.54 1.26 -0.11 4.92 1.70 0.01 -4.56 118.95 122.71 1tot s ARG 19 Ca -0.05 -1.34 -0.04 0.00 -0.47 0.00 0.00 55.73 53.82 1tot s ARG 19 Cb -0.08 0.36 -0.04 0.00 -0.57 0.00 0.00 34.95 34.63 1tot s ARG 19 CO -0.01 -0.46 0.05 -1.58 -1.08 0.00 0.00 175.30 172.21 1tot s TRP 20 N -4.04 3.29 -0.07 5.89 0.52 0.15 -1.42 118.94 123.26 1tot s TRP 20 Ca 0.25 0.25 -0.01 0.00 0.02 0.00 0.00 56.10 56.61 1tot s TRP 20 Cb 0.04 -1.88 0.03 0.00 -1.15 0.00 0.00 33.47 30.50 1tot s TRP 20 CO 0.06 0.48 -0.01 -1.58 0.02 0.00 0.00 176.95 175.91 1tot s HIS 21 N -0.69 0.74 -0.05 -1.98 5.65 -0.11 -0.35 115.29 118.50 1tot s HIS 21 Ca 0.12 -0.22 -0.30 0.00 0.25 0.00 0.00 55.06 54.91 1tot s HIS 21 Cb -0.12 -0.80 -0.05 0.00 -1.18 0.00 0.00 32.58 30.44 1tot s HIS 21 CO 0.02 -0.31 1.47 0.00 -0.65 0.00 0.00 174.74 175.27 1tot n THR 23 N 5.07 2.77 0.02 0.00 -2.24 -0.05 -4.04 114.28 115.82 1tot n THR 23 Ca 0.15 -2.09 -0.00 0.00 -2.27 0.00 0.00 64.05 59.83 1tot n THR 23 Cb 0.43 -0.35 -0.00 0.00 -2.10 0.00 0.00 70.33 68.31 1tot n THR 23 CO 0.00 0.00 0.00 0.55 -0.57 0.00 0.00 175.07 175.05 1tot n VAL 24 N -0.74 0.63 -1.42 2.28 3.14 -1.25 -4.94 118.33 116.04 1tot n VAL 24 Ca 0.39 0.21 -0.29 0.00 -2.96 0.00 0.00 64.34 61.70 1tot n VAL 24 Cb 1.26 -1.34 0.14 0.00 -1.06 0.00 0.00 33.84 32.84 1tot n VAL 24 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1tot s GLU 26 N -5.15 3.22 -0.80 0.00 2.02 -1.26 -4.32 118.70 112.40 1tot s GLU 26 Ca 0.64 -0.36 -0.09 0.00 0.02 0.00 0.00 54.97 55.17 1tot s GLU 26 Cb -0.16 -4.29 0.09 0.00 0.10 0.00 0.00 34.13 29.87 1tot s GLU 26 CO 0.55 -2.13 0.25 -3.47 0.02 0.00 0.00 175.26 170.48 1tot n ASP 27 N 9.21 -1.64 -4.77 -0.19 2.03 -1.26 -4.90 116.55 115.04 1tot n ASP 27 Ca 0.05 -0.19 -0.39 0.00 0.52 0.00 0.00 54.79 54.78 1tot n ASP 27 Cb 0.49 -1.48 -0.01 0.00 -0.72 0.00 0.00 41.12 39.40 1tot n ASP 27 CO 0.00 0.00 0.00 -0.47 -1.92 0.00 0.00 177.20 174.81 1tot s TYR 28 N -2.53 2.91 0.19 -0.67 6.14 -1.26 -1.03 117.35 121.10 1tot s TYR 28 Ca 0.32 1.48 0.05 0.00 0.64 0.00 0.00 57.07 59.56 1tot s TYR 28 Cb -0.19 -3.54 -0.05 0.00 0.42 0.00 0.00 41.96 38.60 1tot s TYR 28 CO 0.40 -1.76 -0.08 -0.51 0.64 0.00 0.00 175.55 174.24 1tot s ASP 29 N -0.94 1.98 -0.11 4.32 1.01 -1.26 -0.78 116.67 120.89 1tot s ASP 29 Ca 0.58 -1.08 -0.07 0.00 0.71 0.00 0.00 52.55 52.68 1tot s ASP 29 Cb -0.35 -0.03 0.04 0.00 1.01 0.00 0.00 42.92 43.59 1tot s ASP 29 CO 0.44 -0.36 0.27 -0.76 0.21 0.00 0.00 175.17 174.97 1tot s LEU 30 N -3.24 0.58 1.01 1.23 1.43 0.53 -0.11 118.68 120.11 1tot s LEU 30 Ca 0.22 0.57 -0.12 0.00 -1.03 0.00 0.00 54.13 53.76 1tot s LEU 30 Cb 0.03 0.87 0.20 0.00 0.03 0.00 0.00 46.19 47.31 1tot s LEU 30 CO 0.04 -0.14 1.08 0.00 0.23 0.00 0.00 176.35 177.56 1tot h ILE 32 N -2.03 0.92 -0.56 0.00 1.08 -1.96 0.16 117.51 115.11 1tot h ILE 32 Ca -0.54 -0.16 -0.04 0.00 -0.39 0.00 0.00 64.86 63.73 1tot h ILE 32 Cb 1.31 0.42 -0.02 0.00 -3.07 0.00 0.00 36.82 35.45 1tot h ILE 32 CO 0.52 0.08 0.19 -1.13 -0.69 0.00 0.00 178.15 177.12 1tot h ASN 33 N 0.46 0.81 -0.25 1.72 -1.24 -1.97 -0.42 115.58 114.70 1tot h ASN 33 Ca 0.23 -0.20 -0.09 0.00 0.71 0.00 0.00 56.30 56.95 1tot h ASN 33 Cb 0.17 -0.21 -0.00 0.00 0.73 0.00 0.00 38.32 39.00 1tot h ASN 33 CO -0.18 0.80 -0.20 0.00 -1.29 0.00 0.00 177.43 176.56 1tot h TYR 35 N 0.28 0.80 0.00 0.00 3.20 -0.54 0.36 116.97 121.06 1tot h TYR 35 Ca 0.05 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.94 1tot h TYR 35 Cb 0.74 -0.25 0.00 0.00 1.54 0.00 0.00 36.73 38.76 1tot h TYR 35 CO 0.07 0.38 0.00 0.09 -1.64 0.00 0.00 178.16 177.06 1tot n ASN 36 N -4.73 0.47 0.00 -2.11 3.02 -0.18 -3.44 115.26 108.29 1tot n ASN 36 Ca 0.10 0.68 0.00 0.00 -0.03 0.00 0.00 54.58 55.33 1tot n ASN 36 Cb 0.19 -0.75 0.00 0.00 -0.61 0.00 0.00 39.78 38.61 1tot n ASN 36 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 1tot n THR 37 N -2.09 0.00 0.81 3.41 -2.24 -0.61 -4.79 114.28 108.77 1tot n THR 37 Ca 0.00 0.00 0.07 0.00 -2.27 0.00 0.00 64.05 61.85 1tot n THR 37 Cb 0.10 -0.76 0.40 0.00 -2.10 0.00 0.00 70.33 67.97 1tot n THR 37 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1tot n LYS 38 N -2.51 0.36 -4.28 -0.78 4.76 0.12 -4.88 118.16 110.94 1tot n LYS 38 Ca 0.00 0.06 -0.32 0.00 -2.87 0.00 0.00 58.31 55.18 1tot n LYS 38 Cb 0.34 -1.50 -0.08 0.00 -1.84 0.00 0.00 35.03 31.96 1tot n LYS 38 CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46 1tot n SER 39 N -1.10 -0.03 -4.61 4.39 7.64 -1.22 -4.85 113.62 113.83 1tot n SER 39 Ca 0.09 -1.20 -0.43 0.00 1.01 0.00 0.00 58.87 58.34 1tot n SER 39 Cb 0.07 -1.97 -0.03 0.00 -1.01 0.00 0.00 64.21 61.28 1tot n SER 39 CO 0.00 0.00 0.00 -2.28 -3.01 0.00 0.00 175.04 169.75 1tot s HIS 40 N -4.05 1.87 -2.56 1.43 2.46 -1.26 -4.86 115.29 108.33 1tot s HIS 40 Ca 0.18 0.56 0.23 0.00 0.47 0.00 0.00 55.06 56.51 1tot s HIS 40 Cb -0.11 -4.08 0.51 0.00 -0.13 0.00 0.00 32.58 28.77 1tot s HIS 40 CO 0.98 -3.06 1.44 2.41 -2.47 0.00 0.00 174.74 174.04 1tot n THR 41 N 7.05 0.26 -2.24 0.89 -1.04 -1.26 -5.00 114.28 112.94 1tot n THR 41 Ca 0.22 -0.54 -0.25 0.00 -2.04 0.00 0.00 64.05 61.43 1tot n THR 41 Cb 0.46 0.91 0.07 0.00 -1.82 0.00 0.00 70.33 69.95 1tot n THR 41 CO 0.00 0.00 0.00 -1.00 -0.64 0.00 0.00 175.07 173.43 1tot s HIS 42 N -1.74 2.80 -0.44 -1.42 3.76 -1.26 -4.96 115.29 112.03 1tot s HIS 42 Ca 0.35 0.36 -0.27 0.00 -0.15 0.00 0.00 55.06 55.35 1tot s HIS 42 Cb 0.21 -3.19 -0.04 0.00 1.11 0.00 0.00 32.58 30.67 1tot s HIS 42 CO 0.30 -1.43 2.05 0.21 -0.85 0.00 0.00 174.74 175.02 1tot s LYS 43 N -5.23 2.75 0.55 1.40 2.20 -1.26 -4.94 119.74 115.21 1tot s LYS 43 Ca 0.61 1.26 0.06 0.00 -0.36 0.00 0.00 55.97 57.55 1tot s LYS 43 Cb -0.10 -4.39 0.05 0.00 -1.51 0.00 0.00 37.83 31.88 1tot s LYS 43 CO 0.44 -2.55 0.49 -1.64 -0.36 0.00 0.00 175.35 171.73 1tot s MET 44 N 6.90 2.27 0.36 4.03 -1.94 -1.26 -0.87 119.30 128.80 1tot s MET 44 Ca 0.84 -1.93 0.04 0.00 -1.71 0.00 0.00 55.69 52.93 1tot s MET 44 Cb -0.20 -2.22 -0.04 0.00 2.01 0.00 0.00 34.83 34.38 1tot s MET 44 CO 0.28 -0.66 0.11 0.14 -0.01 0.00 0.00 175.02 174.88 1tot s VAL 45 N -2.74 0.70 -0.01 -6.03 -7.23 0.32 -4.83 120.40 100.57 1tot s VAL 45 Ca 0.40 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.57 1tot s VAL 45 Cb -0.03 -2.50 0.02 0.00 0.56 0.00 0.00 36.38 34.43 1tot s VAL 45 CO 0.25 0.00 0.01 -0.75 -0.31 0.00 0.00 175.10 174.30 1tot s LYS 46 N -3.79 0.03 -0.13 4.82 2.36 -1.26 -0.94 119.74 120.83 1tot s LYS 46 Ca 0.29 0.10 0.01 0.00 -2.55 0.00 0.00 55.97 53.82 1tot s LYS 46 Cb 0.05 -0.20 0.02 0.00 -1.05 0.00 0.00 37.83 36.65 1tot s LYS 46 CO 0.15 -0.10 -0.16 -1.58 1.55 0.00 0.00 175.35 175.21 1tot s TRP 47 N 0.66 2.19 -0.06 4.03 0.52 -0.50 -5.01 118.94 120.76 1tot s TRP 47 Ca -0.06 -1.14 -0.05 0.00 0.02 0.00 0.00 56.10 54.88 1tot s TRP 47 Cb -0.08 -1.57 0.02 0.00 -1.15 0.00 0.00 33.47 30.69 1tot s TRP 47 CO -0.02 -0.59 0.16 0.20 0.02 0.00 0.00 176.95 176.72 1tot s GLY 48 N 1.17 -0.10 0.00 0.98 0.00 -1.26 -0.81 107.32 107.30 1tot s GLY 48 Ca -0.02 0.52 0.00 0.00 0.00 0.00 0.00 44.72 45.23 1tot s GLY 48 CO -0.06 0.56 0.06 1.04 0.00 0.00 0.00 173.10 174.71 1tot n LEU 49 N 3.33 0.13 0.00 0.66 7.99 -1.26 -5.02 117.00 122.83 1tot n LEU 49 Ca -0.16 -0.23 0.00 0.00 -0.01 0.00 0.00 56.01 55.60 1tot n LEU 49 Cb 0.57 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.88 1tot n LEU 49 CO 0.20 0.03 0.00 0.61 -1.51 0.00 0.00 177.39 176.72 1tot n GLY 50 N 0.21 0.05 0.12 -0.72 0.00 -1.26 -5.02 105.19 98.57 1tot n GLY 50 Ca 0.00 -0.03 0.12 0.00 0.00 0.00 0.00 46.02 46.11 1tot n GLY 50 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1tot h LEU 51 N 0.00 0.00 0.00 0.99 5.85 -1.93 -3.51 115.31 116.71 1tot h LEU 51 Ca 0.00 -0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.65 1tot h LEU 51 Cb 0.00 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.03 1tot h LEU 51 CO 0.00 0.03 0.00 -0.67 -0.34 0.00 0.00 178.44 177.46