#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 6rxn s GLN 2 N 0.00 4.15 0.23 0.03 2.00 -1.26 -4.73 119.66 120.08 6rxn s GLN 2 Ca 0.00 2.55 -0.08 0.00 -2.00 0.00 0.00 55.36 55.83 6rxn s GLN 2 Cb 0.00 -3.93 -0.06 0.00 0.80 0.00 0.00 33.01 29.82 6rxn s GLN 2 CO 0.00 -0.89 0.52 0.15 -0.50 0.00 0.00 175.29 174.57 6rxn s LYS 3 N 3.76 3.73 0.04 1.67 1.02 -1.26 -4.62 119.74 124.07 6rxn s LYS 3 Ca 0.84 0.16 0.05 0.00 0.02 0.00 0.00 55.97 57.03 6rxn s LYS 3 Cb -0.43 -2.68 -0.02 0.00 -0.52 0.00 0.00 37.83 34.19 6rxn s LYS 3 CO 0.38 0.32 -0.15 0.71 -0.92 0.00 0.00 175.35 175.69 6rxn s TYR 4 N -1.85 1.27 0.00 3.18 2.02 -0.71 -0.67 117.35 120.59 6rxn s TYR 4 Ca 0.46 -0.35 0.08 0.00 -0.37 0.00 0.00 57.07 56.89 6rxn s TYR 4 Cb -0.11 -0.76 -0.02 0.00 -0.40 0.00 0.00 41.96 40.66 6rxn s TYR 4 CO 0.24 0.04 -0.24 0.54 -1.57 0.00 0.00 175.55 174.55 6rxn s VAL 5 N -0.81 2.26 -0.02 0.71 0.11 0.36 -0.14 120.40 122.87 6rxn s VAL 5 Ca 0.02 -1.17 -0.30 0.00 -2.93 0.00 0.00 61.98 57.60 6rxn s VAL 5 Cb -0.08 -1.84 -0.06 0.00 -1.53 0.00 0.00 36.38 32.88 6rxn s VAL 5 CO 0.01 0.49 1.52 0.00 -3.33 0.00 0.00 175.10 173.79 6rxn h ASN 7 N 8.50 0.07 0.06 0.00 2.35 -1.13 -1.74 115.58 123.69 6rxn h ASN 7 Ca -0.38 -0.01 -0.24 0.00 -0.55 0.00 0.00 56.30 55.12 6rxn h ASN 7 Cb 1.18 -0.02 -0.01 0.00 0.05 0.00 0.00 38.32 39.51 6rxn h ASN 7 CO 0.93 0.17 -1.27 0.58 -1.65 0.00 0.00 177.43 176.20 6rxn h VAL 8 N 0.08 1.03 -0.00 2.81 2.07 -1.91 -3.43 116.25 116.90 6rxn h VAL 8 Ca 0.02 -2.31 0.00 0.00 0.82 0.00 0.00 66.70 65.23 6rxn h VAL 8 Cb 0.21 2.60 0.00 0.00 -1.52 0.00 0.00 31.29 32.57 6rxn h VAL 8 CO 0.01 0.58 -0.01 0.00 0.02 0.00 0.00 177.57 178.17 6rxn n GLY 10 N 0.21 0.93 3.74 0.00 0.00 -0.66 -5.02 105.19 104.39 6rxn n GLY 10 Ca 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 6rxn n GLY 10 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 6rxn n TYR 11 N -2.05 2.69 -4.33 1.61 9.36 -1.26 -4.65 117.16 118.53 6rxn n TYR 11 Ca 0.00 0.41 -0.33 0.00 3.32 0.00 0.00 57.90 61.30 6rxn n TYR 11 Cb 0.00 -2.52 -0.15 0.00 -0.63 0.00 0.00 39.34 36.04 6rxn n TYR 11 CO 0.00 0.00 0.00 -2.00 0.22 0.00 0.00 176.86 175.08 6rxn s GLU 12 N -1.37 3.17 -0.46 2.98 2.12 -1.26 -0.71 118.70 123.17 6rxn s GLU 12 Ca 0.59 -0.76 -0.23 0.00 0.36 0.00 0.00 54.97 54.93 6rxn s GLU 12 Cb -0.52 -2.66 0.03 0.00 0.26 0.00 0.00 34.13 31.23 6rxn s GLU 12 CO 0.57 -0.08 0.78 -0.47 -0.54 0.00 0.00 175.26 175.52 6rxn s TYR 13 N 1.04 2.99 -0.31 5.30 5.04 0.80 -4.98 117.35 127.23 6rxn s TYR 13 Ca -0.01 0.11 -0.06 0.00 -2.44 0.00 0.00 57.07 54.68 6rxn s TYR 13 Cb -0.15 -3.66 0.03 0.00 0.35 0.00 0.00 41.96 38.53 6rxn s TYR 13 CO -0.04 -1.00 0.07 0.34 -1.34 0.00 0.00 175.55 173.58 6rxn s ASP 14 N 2.18 5.13 0.41 4.32 -1.08 -1.26 -1.74 116.67 124.63 6rxn s ASP 14 Ca 0.29 -0.96 0.20 0.00 -0.52 0.00 0.00 52.55 51.56 6rxn s ASP 14 Cb -0.12 -1.85 1.14 0.00 -1.46 0.00 0.00 42.92 40.63 6rxn s ASP 14 CO 0.22 -0.25 1.78 -0.65 0.52 0.00 0.00 175.17 176.78 6rxn h PRO 15 N 8.20 0.35 0.00 4.34 0.11 -1.82 -1.29 132.00 141.88 6rxn h PRO 15 Ca -0.27 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.81 6rxn h PRO 15 Cb 1.10 -0.08 -0.00 0.00 0.11 0.00 0.00 31.00 32.13 6rxn h PRO 15 CO 0.60 0.23 -0.03 0.00 -0.21 0.00 0.00 178.00 178.59 6rxn h ALA 16 N 1.60 1.56 -0.01 -0.75 0.00 -1.91 0.14 119.26 119.89 6rxn h ALA 16 Ca 0.58 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.47 6rxn h ALA 16 Cb 1.55 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.33 6rxn h ALA 16 CO -0.27 0.04 -0.03 0.39 0.00 0.00 0.00 179.25 179.38 6rxn n GLU 17 N -3.93 1.48 -2.57 0.00 1.02 -0.49 -4.12 120.64 112.03 6rxn n GLU 17 Ca -0.03 -0.79 -0.14 0.00 -0.02 0.00 0.00 57.16 56.18 6rxn n GLU 17 Cb 0.12 -1.48 0.02 0.00 -0.02 0.00 0.00 31.44 30.08 6rxn n GLU 17 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 6rxn n HIS 18 N -0.07 1.98 -2.51 -0.32 8.25 0.19 -4.95 115.22 117.79 6rxn n HIS 18 Ca 0.19 -2.71 -0.21 0.00 -0.26 0.00 0.00 57.72 54.73 6rxn n HIS 18 Cb 0.33 -0.27 -0.00 0.00 1.12 0.00 0.00 29.99 31.17 6rxn n HIS 18 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 6rxn n ASP 26 N -0.34 -5.88 -1.46 0.41 8.00 -1.20 -1.57 116.55 114.50 6rxn n ASP 26 Ca 0.21 -0.06 -0.14 0.00 0.71 0.00 0.00 54.79 55.51 6rxn n ASP 26 Cb 0.79 -4.87 -0.02 0.00 -0.02 0.00 0.00 41.12 37.00 6rxn n ASP 26 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 6rxn n ASN 27 N -2.10 -4.36 -4.61 -2.24 5.03 0.25 -4.96 115.26 102.27 6rxn n ASN 27 Ca -0.22 0.07 -0.43 0.00 0.87 0.00 0.00 54.58 54.87 6rxn n ASN 27 Cb 0.67 -3.43 -0.03 0.00 -1.02 0.00 0.00 39.78 35.98 6rxn n ASN 27 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 6rxn s VAL 28 N -2.65 4.52 0.71 2.41 1.01 -0.61 -4.94 120.40 120.86 6rxn s VAL 28 Ca 0.00 1.32 -0.14 0.00 0.00 0.00 0.00 61.98 63.16 6rxn s VAL 28 Cb 0.00 -4.39 0.03 0.00 0.00 0.00 0.00 36.38 32.02 6rxn s VAL 28 CO 0.00 -0.58 1.14 -2.16 0.00 0.00 0.00 175.10 173.50 6rxn s PRO 29 N 3.64 2.39 0.35 2.72 0.04 -1.26 -4.46 135.00 138.41 6rxn s PRO 29 Ca 0.41 1.49 0.06 0.00 0.04 0.00 0.00 61.00 63.00 6rxn s PRO 29 Cb -0.11 -1.89 0.73 0.00 0.04 0.00 0.00 34.50 33.27 6rxn s PRO 29 CO 0.19 -1.59 1.94 0.35 0.04 0.00 0.00 177.00 177.93 6rxn h PHE 30 N -0.36 0.80 0.00 0.56 3.04 -1.95 -1.70 116.94 117.33 6rxn h PHE 30 Ca -0.46 0.02 0.00 0.00 3.98 0.00 0.00 57.97 61.51 6rxn h PHE 30 Cb 1.26 -0.26 0.00 0.00 2.56 0.00 0.00 35.95 39.51 6rxn h PHE 30 CO 0.52 0.41 0.00 -0.40 -2.02 0.00 0.00 178.31 176.82 6rxn n ASP 31 N -4.49 0.00 0.00 0.41 3.85 -1.26 -2.29 116.55 112.77 6rxn n ASP 31 Ca 0.12 -0.06 0.11 0.00 -0.71 0.00 0.00 54.79 54.25 6rxn n ASP 31 Cb 0.26 -0.26 0.04 0.00 -1.35 0.00 0.00 41.12 39.82 6rxn n ASP 31 CO 0.00 0.00 0.00 1.67 -1.01 0.00 0.00 177.20 177.86 6rxn n GLN 32 N -1.26 0.06 -2.21 0.11 7.27 -0.64 -4.96 117.38 115.75 6rxn n GLN 32 Ca 0.10 -0.00 -0.37 0.00 0.07 0.00 0.00 57.00 56.79 6rxn n GLN 32 Cb 0.15 -1.52 -0.00 0.00 2.41 0.00 0.00 30.24 31.28 6rxn n GLN 32 CO 0.00 0.00 0.00 -0.51 0.07 0.00 0.00 177.06 176.62 6rxn s LEU 33 N -3.19 3.96 0.87 1.69 1.43 -0.97 -4.99 118.68 117.47 6rxn s LEU 33 Ca 0.08 2.33 -0.11 0.00 -1.03 0.00 0.00 54.13 55.40 6rxn s LEU 33 Cb 0.16 -4.29 0.11 0.00 0.03 0.00 0.00 46.19 42.20 6rxn s LEU 33 CO 0.80 -1.03 1.10 -2.16 0.23 0.00 0.00 176.35 175.29 6rxn s PRO 34 N -2.80 1.48 0.53 1.29 0.04 -1.26 -4.90 135.00 129.38 6rxn s PRO 34 Ca 0.66 1.12 0.21 0.00 0.04 0.00 0.00 61.00 63.03 6rxn s PRO 34 Cb -0.29 -1.81 1.43 0.00 0.04 0.00 0.00 34.50 33.86 6rxn s PRO 34 CO 0.35 -2.17 2.15 -0.44 0.04 0.00 0.00 177.00 176.93 6rxn h ASP 35 N -1.51 0.00 -0.13 6.66 3.32 -2.00 -1.95 116.42 120.82 6rxn h ASP 35 Ca -0.46 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.59 6rxn h ASP 35 Cb 1.26 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.81 6rxn h ASP 35 CO 0.50 0.04 0.00 -0.90 -1.72 0.00 0.00 179.24 177.16 6rxn n ASP 36 N -4.19 1.95 -4.77 6.45 5.75 -1.26 -4.90 116.55 115.58 6rxn n ASP 36 Ca -0.03 -1.70 -0.41 0.00 -0.01 0.00 0.00 54.79 52.65 6rxn n ASP 36 Cb 0.13 -0.08 -0.01 0.00 -1.03 0.00 0.00 41.12 40.13 6rxn n ASP 36 CO 0.00 0.00 0.00 0.86 -0.11 0.00 0.00 177.20 177.95 6rxn s TRP 37 N -1.85 2.77 0.10 2.11 -0.00 -0.73 -5.04 118.94 116.30 6rxn s TRP 37 Ca 0.34 1.30 0.00 0.00 -0.00 0.00 0.00 56.10 57.74 6rxn s TRP 37 Cb 0.19 -3.84 -0.04 0.00 -0.00 0.00 0.00 33.47 29.78 6rxn s TRP 37 CO 0.30 -2.46 -0.01 0.00 -0.00 0.00 0.00 176.95 174.77 6rxn n PRO 40 N 1.66 0.05 -0.12 0.00 -0.04 -1.26 -0.49 135.00 134.79 6rxn n PRO 40 Ca 0.14 0.04 -0.23 0.00 -0.04 0.00 0.00 63.50 63.41 6rxn n PRO 40 Cb 0.26 -1.56 -0.11 0.00 -0.04 0.00 0.00 33.50 32.05 6rxn n PRO 40 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 6rxn n VAL 41 N -1.64 1.53 0.06 0.52 0.31 -1.26 -4.77 118.33 113.07 6rxn n VAL 41 Ca 0.07 -0.48 0.01 0.00 -0.01 0.00 0.00 64.34 63.93 6rxn n VAL 41 Cb 0.35 -1.66 -0.01 0.00 -0.91 0.00 0.00 33.84 31.62 6rxn n VAL 41 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 6rxn n GLY 43 N 1.18 0.84 3.81 0.00 0.00 0.36 -4.97 105.19 106.41 6rxn n GLY 43 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 6rxn n GLY 43 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 6rxn s VAL 44 N -3.30 3.83 0.85 1.61 -7.23 -1.26 -4.41 120.40 110.48 6rxn s VAL 44 Ca 0.00 0.59 -0.13 0.00 -1.81 0.00 0.00 61.98 60.64 6rxn s VAL 44 Cb 0.00 -3.30 0.11 0.00 0.56 0.00 0.00 36.38 33.74 6rxn s VAL 44 CO 0.00 -0.78 1.19 -0.44 -0.31 0.00 0.00 175.10 174.77 6rxn s SER 45 N -3.75 4.15 0.62 4.85 0.01 -1.26 -0.35 113.70 117.96 6rxn s SER 45 Ca 0.59 0.73 0.35 0.00 1.31 0.00 0.00 55.95 58.92 6rxn s SER 45 Cb -0.14 -1.17 2.02 0.00 0.21 0.00 0.00 66.02 66.94 6rxn s SER 45 CO 0.55 -2.13 2.28 0.11 0.41 0.00 0.00 173.24 174.46 6rxn h LYS 46 N -1.21 0.00 0.00 12.44 1.57 -1.91 -1.33 116.57 126.13 6rxn h LYS 46 Ca -0.46 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.32 6rxn h LYS 46 Cb 1.32 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.63 6rxn h LYS 46 CO 0.61 0.00 0.00 -0.40 -0.57 0.00 0.00 179.45 179.09 6rxn n ASP 47 N -3.57 0.00 -1.56 0.86 3.85 -1.26 -1.98 116.55 112.89 6rxn n ASP 47 Ca -0.03 0.16 -0.06 0.00 -0.71 0.00 0.00 54.79 54.16 6rxn n ASP 47 Cb 0.10 -0.33 0.24 0.00 -1.35 0.00 0.00 41.12 39.78 6rxn n ASP 47 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 6rxn n GLN 48 N -1.33 2.72 -4.21 0.11 6.02 -0.50 -4.95 117.38 115.24 6rxn n GLN 48 Ca 0.06 -3.06 -0.27 0.00 -0.01 0.00 0.00 57.00 53.73 6rxn n GLN 48 Cb 0.13 -2.01 -0.08 0.00 1.02 0.00 0.00 30.24 29.30 6rxn n GLN 48 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 6rxn s PHE 49 N -3.10 2.82 0.07 1.08 0.40 -0.84 -0.48 117.98 117.93 6rxn s PHE 49 Ca 0.50 -0.14 0.07 0.00 -0.60 0.00 0.00 56.93 56.75 6rxn s PHE 49 Cb 0.42 -1.37 -0.03 0.00 0.51 0.00 0.00 43.02 42.55 6rxn s PHE 49 CO 0.08 0.52 -0.18 -1.12 0.70 0.00 0.00 175.22 175.22 6rxn s SER 50 N -2.94 2.13 0.43 1.36 0.01 -0.17 -4.91 113.70 109.61 6rxn s SER 50 Ca 0.27 -0.57 -0.26 0.00 1.31 0.00 0.00 55.95 56.70 6rxn s SER 50 Cb -0.09 -0.13 -0.09 0.00 0.21 0.00 0.00 66.02 65.92 6rxn s SER 50 CO 0.18 0.05 1.43 -2.16 0.41 0.00 0.00 173.24 173.15 6rxn s PRO 51 N -1.50 3.81 0.00 12.44 0.05 -1.26 -0.49 135.00 148.05 6rxn s PRO 51 Ca 0.04 2.43 0.00 0.00 0.05 0.00 0.00 61.00 63.52 6rxn s PRO 51 Cb -0.09 -2.74 0.00 0.00 0.05 0.00 0.00 34.50 31.72 6rxn s PRO 51 CO 0.02 -0.73 0.00 0.00 0.05 0.00 0.00 177.00 176.35