#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jyy s ARG 2 N 0.00 0.41 0.35 -0.67 3.00 -1.26 -4.79 118.95 115.99 2jyy s ARG 2 Ca 0.00 0.27 -0.29 0.00 -1.00 0.00 0.00 55.73 54.71 2jyy s ARG 2 Cb 0.00 -0.28 -0.11 0.00 0.00 0.00 0.00 34.95 34.56 2jyy s ARG 2 CO 0.00 -0.94 1.54 0.96 0.00 0.00 0.00 175.30 176.86 2jyy s ILE 3 N 2.57 2.01 -1.31 4.11 -4.36 -1.11 -4.90 121.20 118.21 2jyy s ILE 3 Ca 0.11 0.01 -0.10 0.00 -0.26 0.00 0.00 60.65 60.41 2jyy s ILE 3 Cb -0.13 -3.01 0.15 0.00 1.25 0.00 0.00 42.46 40.72 2jyy s ILE 3 CO -0.27 0.00 1.95 0.00 0.24 0.00 0.00 174.94 176.86 2jyy s THR 5 N 0.65 0.83 0.16 0.00 -4.23 -1.26 -4.57 115.64 107.21 2jyy s THR 5 Ca 0.41 -1.48 0.05 0.00 -1.18 0.00 0.00 61.69 59.49 2jyy s THR 5 Cb 0.11 -1.16 -0.04 0.00 1.34 0.00 0.00 72.50 72.74 2jyy s THR 5 CO -0.01 -0.50 -0.10 0.54 -0.54 0.00 0.00 174.62 174.01 2jyy s ASN 6 N -2.19 1.87 0.24 3.99 4.22 -1.26 -3.46 114.94 118.36 2jyy s ASN 6 Ca 0.01 -1.03 -0.06 0.00 -2.14 0.00 0.00 52.86 49.64 2jyy s ASN 6 Cb -0.05 -0.02 0.43 0.00 1.28 0.00 0.00 41.25 42.89 2jyy s ASN 6 CO -0.00 -0.33 1.67 0.00 -2.04 0.00 0.00 177.10 176.40 2jyy h ALA 8 N 1.62 1.25 -1.83 0.00 0.00 -1.91 -2.84 119.26 115.56 2jyy h ALA 8 Ca 0.40 -0.14 -0.64 0.00 0.00 0.00 0.00 54.91 54.53 2jyy h ALA 8 Cb 0.69 -0.30 -0.38 0.00 0.00 0.00 0.00 17.79 17.80 2jyy h ALA 8 CO -0.54 0.58 -0.23 0.00 0.00 0.00 0.00 179.25 179.05 2jyy n ALA 9 N -2.43 5.16 -1.00 0.00 0.00 -0.55 -4.57 120.51 117.13 2jyy n ALA 9 Ca 0.07 -4.56 0.00 0.00 0.00 0.00 0.00 53.44 48.95 2jyy n ALA 9 Cb 0.13 -1.04 0.00 0.00 0.00 0.00 0.00 19.45 18.54 2jyy n ALA 9 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2jyy n GLY 10 N -0.29 -0.96 3.43 0.00 0.00 -0.82 -4.10 105.19 102.43 2jyy n GLY 10 Ca 0.37 -1.24 -0.07 0.00 0.00 0.00 0.00 46.02 45.08 2jyy n GLY 10 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2jyy s THR 11 N 0.00 -0.44 0.00 2.61 2.01 -1.26 -4.66 115.64 113.90 2jyy s THR 11 Ca 0.00 0.08 0.00 0.00 0.31 0.00 0.00 61.69 62.08 2jyy s THR 11 Cb 0.00 -0.79 0.00 0.00 0.01 0.00 0.00 72.50 71.72 2jyy s THR 11 CO 0.00 0.03 0.00 1.17 -0.69 0.00 0.00 174.62 175.13 2jyy n LYS 12 N 4.91 0.00 -2.10 4.92 4.81 -1.26 -1.82 118.16 127.62 2jyy n LYS 12 Ca -0.15 0.00 -0.01 0.00 -0.87 0.00 0.00 58.31 57.27 2jyy n LYS 12 Cb 0.53 0.00 0.05 0.00 0.02 0.00 0.00 35.03 35.63 2jyy n LYS 12 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2jyy n GLY 13 N 0.00 0.23 3.75 3.14 0.00 -1.26 -4.60 105.19 106.45 2jyy n GLY 13 Ca 0.00 -0.07 -0.39 0.00 0.00 0.00 0.00 46.02 45.56 2jyy n GLY 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jyy s LYS 15 N 0.02 3.96 -0.07 0.00 1.02 0.08 -0.37 119.74 124.38 2jyy s LYS 15 Ca 0.33 0.78 -0.26 0.00 0.02 0.00 0.00 55.97 56.84 2jyy s LYS 15 Cb -0.18 -3.76 -0.03 0.00 -0.52 0.00 0.00 37.83 33.34 2jyy s LYS 15 CO 0.18 -0.86 0.82 0.71 -0.92 0.00 0.00 175.35 175.27 2jyy s TYR 16 N 3.42 3.57 0.23 3.18 1.51 0.78 0.56 117.35 130.60 2jyy s TYR 16 Ca 0.40 1.39 0.10 0.00 -1.01 0.00 0.00 57.07 57.95 2jyy s TYR 16 Cb -0.13 -2.95 -0.05 0.00 -0.11 0.00 0.00 41.96 38.73 2jyy s TYR 16 CO 0.16 -0.02 -0.19 -0.06 -1.11 0.00 0.00 175.55 174.33 2jyy s PHE 17 N 1.17 2.07 0.84 2.71 0.40 0.15 -0.03 117.98 125.28 2jyy s PHE 17 Ca 0.42 -0.42 -0.09 0.00 -0.60 0.00 0.00 56.93 56.24 2jyy s PHE 17 Cb -0.18 -0.94 0.15 0.00 0.51 0.00 0.00 43.02 42.55 2jyy s PHE 17 CO 0.20 0.54 1.16 -1.12 0.70 0.00 0.00 175.22 176.71 2jyy s SER 18 N -3.25 3.84 0.25 1.36 0.01 0.09 -1.45 113.70 114.55 2jyy s SER 18 Ca 0.25 0.12 -0.00 0.00 1.31 0.00 0.00 55.95 57.63 2jyy s SER 18 Cb -0.04 -0.39 0.30 0.00 0.21 0.00 0.00 66.02 66.10 2jyy s SER 18 CO 0.11 -2.24 1.66 -2.24 0.41 0.00 0.00 173.24 170.94 2jyy h ASP 19 N -1.10 0.58 -0.67 2.44 2.03 -1.88 -3.00 116.42 114.83 2jyy h ASP 19 Ca -0.42 -0.22 -0.08 0.00 -0.73 0.00 0.00 57.03 55.58 2jyy h ASP 19 Cb 1.26 -0.16 -0.03 0.00 -0.83 0.00 0.00 39.33 39.58 2jyy h ASP 19 CO 0.44 0.85 0.09 -2.24 -1.03 0.00 0.00 179.24 177.34 2jyy h ASP 20 N 0.49 1.08 0.00 4.15 2.03 -1.97 -3.47 116.42 118.73 2jyy h ASP 20 Ca 0.06 -0.27 0.00 0.00 -0.73 0.00 0.00 57.03 56.09 2jyy h ASP 20 Cb 0.75 -0.29 0.00 0.00 -0.83 0.00 0.00 39.33 38.97 2jyy h ASP 20 CO 0.06 1.07 0.00 0.61 -1.03 0.00 0.00 179.24 179.95 2jyy n GLY 21 N -0.55 1.09 3.74 7.15 0.00 -1.13 -5.12 105.19 110.37 2jyy n GLY 21 Ca 0.04 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.65 2jyy n GLY 21 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2jyy s THR 22 N -0.43 2.57 -0.02 2.61 2.01 -1.26 -4.66 115.64 116.45 2jyy s THR 22 Ca 0.00 0.47 -0.30 0.00 0.31 0.00 0.00 61.69 62.16 2jyy s THR 22 Cb 0.00 -3.30 -0.05 0.00 0.01 0.00 0.00 72.50 69.16 2jyy s THR 22 CO 0.00 0.07 1.46 0.12 -0.69 0.00 0.00 174.62 175.58 2jyy s PHE 23 N 0.21 2.64 -0.06 4.92 5.36 -1.26 -0.73 117.98 129.06 2jyy s PHE 23 Ca 0.62 0.67 -0.02 0.00 -0.96 0.00 0.00 56.93 57.24 2jyy s PHE 23 Cb -0.43 -3.72 -0.01 0.00 -0.34 0.00 0.00 43.02 38.52 2jyy s PHE 23 CO 0.42 -2.78 -0.04 0.28 -1.46 0.00 0.00 175.22 171.64 2jyy h VAL 24 N 5.10 0.00 -1.33 3.12 2.07 -0.77 -3.47 116.25 120.97 2jyy h VAL 24 Ca -0.37 -0.48 0.21 0.00 0.82 0.00 0.00 66.70 66.88 2jyy h VAL 24 Cb 1.17 0.00 -0.23 0.00 -1.52 0.00 0.00 31.29 30.71 2jyy h VAL 24 CO 0.92 0.00 0.81 0.00 0.02 0.00 0.00 177.57 179.33 2jyy s GLU 26 N -1.59 4.27 -0.46 0.00 2.12 -1.26 -0.16 118.70 121.61 2jyy s GLU 26 Ca 0.07 0.90 -0.27 0.00 0.36 0.00 0.00 54.97 56.04 2jyy s GLU 26 Cb -0.01 -2.83 -0.05 0.00 0.26 0.00 0.00 34.13 31.50 2jyy s GLU 26 CO -0.05 0.36 2.17 0.20 -0.54 0.00 0.00 175.26 177.41 2jyy s GLY 27 N -1.69 0.00 -1.34 -1.50 0.00 0.50 -4.85 107.32 98.44 2jyy s GLY 27 Ca 0.45 -0.02 -0.07 0.00 0.00 0.00 0.00 44.72 45.08 2jyy s GLY 27 CO 0.21 3.81 2.34 -2.21 0.00 0.00 0.00 173.10 177.25 2jyy n GLU 28 N 8.96 4.35 -0.95 2.90 0.00 -1.08 -4.31 120.64 130.50 2jyy n GLU 28 Ca 0.30 -3.37 -0.20 0.00 0.00 0.00 0.00 57.16 53.89 2jyy n GLU 28 Cb 0.52 -2.70 0.07 0.00 0.00 0.00 0.00 31.44 29.33 2jyy n GLU 28 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.13 176.00 2jyy n SER 29 N 2.28 5.79 -4.67 4.31 3.41 -1.26 -4.38 113.62 119.09 2jyy n SER 29 Ca 0.60 -3.21 -0.39 0.00 -0.26 0.00 0.00 58.87 55.61 2jyy n SER 29 Cb 0.27 -0.93 -0.07 0.00 -0.26 0.00 0.00 64.21 63.21 2jyy n SER 29 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2jyy s ASP 30 N -0.45 6.54 -0.32 4.04 -1.08 -1.26 -4.80 116.67 119.34 2jyy s ASP 30 Ca 0.40 0.64 -0.03 0.00 -0.52 0.00 0.00 52.55 53.04 2jyy s ASP 30 Cb 0.32 -2.28 -0.08 0.00 -1.46 0.00 0.00 42.92 39.43 2jyy s ASP 30 CO 0.02 -0.14 1.81 -0.81 0.52 0.00 0.00 175.17 176.57 2jyy n PRO 31 N 4.61 1.16 -0.09 4.34 -0.04 -1.26 -4.42 135.00 139.30 2jyy n PRO 31 Ca -0.06 -0.79 -0.13 0.00 -0.04 0.00 0.00 63.50 62.48 2jyy n PRO 31 Cb 0.51 -2.00 -0.05 0.00 -0.04 0.00 0.00 33.50 31.92 2jyy n PRO 31 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2jyy h ARG 32 N 5.69 0.62 -1.87 0.54 2.47 -1.96 -3.47 114.38 116.40 2jyy h ARG 32 Ca 0.21 -0.32 0.08 0.00 -1.26 0.00 0.00 59.98 58.70 2jyy h ARG 32 Cb 0.39 0.01 -0.20 0.00 -1.65 0.00 0.00 29.97 28.52 2jyy h ARG 32 CO 0.83 0.92 0.50 0.54 0.56 0.00 0.00 179.97 183.31 2jyy s ASN 33 N -6.43 -0.39 0.10 7.04 4.22 -1.26 -5.13 114.94 113.08 2jyy s ASN 33 Ca -0.13 0.27 -0.31 0.00 -2.14 0.00 0.00 52.86 50.56 2jyy s ASN 33 Cb 0.08 0.35 -0.10 0.00 1.28 0.00 0.00 41.25 42.86 2jyy s ASN 33 CO 0.81 -0.47 1.88 -2.16 -2.04 0.00 0.00 177.10 175.12 2jyy s PRO 34 N -1.90 4.14 -0.06 3.55 0.04 -1.26 -4.95 135.00 134.55 2jyy s PRO 34 Ca 0.00 2.61 -0.28 0.00 0.04 0.00 0.00 61.00 63.37 2jyy s PRO 34 Cb -0.01 -3.78 -0.03 0.00 0.04 0.00 0.00 34.50 30.73 2jyy s PRO 34 CO -0.02 -0.88 0.91 0.15 0.04 0.00 0.00 177.00 177.20 2jyy s LYS 35 N 3.31 4.47 0.21 4.56 3.01 -1.26 -4.94 119.74 129.10 2jyy s LYS 35 Ca 0.84 1.25 0.08 0.00 -1.01 0.00 0.00 55.97 57.12 2jyy s LYS 35 Cb -0.45 -3.49 0.13 0.00 -1.01 0.00 0.00 37.83 33.01 2jyy s LYS 35 CO 0.38 -0.12 1.48 0.00 0.51 0.00 0.00 175.35 177.60 2jyy h ALA 36 N 6.93 0.72 -2.25 5.17 0.00 -1.99 -3.44 119.26 124.40 2jyy h ALA 36 Ca -0.37 -0.68 -0.55 0.00 0.00 0.00 0.00 54.91 53.30 2jyy h ALA 36 Cb 1.19 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.85 2jyy h ALA 36 CO 0.79 0.92 0.99 0.00 0.00 0.00 0.00 179.25 181.94 2jyy s ALA 37 N -3.31 3.63 0.64 0.00 0.00 -1.26 -4.99 121.76 116.46 2jyy s ALA 37 Ca -0.01 0.80 -0.16 0.00 0.00 0.00 0.00 51.96 52.58 2jyy s ALA 37 Cb 0.11 -3.68 -0.01 0.00 0.00 0.00 0.00 23.12 19.54 2jyy s ALA 37 CO 0.79 -1.24 1.14 -1.25 0.00 0.00 0.00 175.76 175.20 2jyy s PRO 38 N 3.56 2.82 -0.88 0.00 0.04 -1.26 -4.73 135.00 134.56 2jyy s PRO 38 Ca 0.66 1.53 -0.07 0.00 0.04 0.00 0.00 61.00 63.16 2jyy s PRO 38 Cb -0.30 -1.94 -0.14 0.00 0.04 0.00 0.00 34.50 32.16 2jyy s PRO 38 CO 0.25 -1.26 2.92 -2.13 0.04 0.00 0.00 177.00 176.82 2jyy n ARG 39 N -2.17 2.67 -1.86 4.56 0.63 -1.26 -4.87 116.66 114.36 2jyy n ARG 39 Ca 0.11 -1.56 -0.33 0.00 -0.92 0.00 0.00 57.85 55.16 2jyy n ARG 39 Cb 0.51 -2.41 0.03 0.00 0.45 0.00 0.00 32.46 31.05 2jyy n ARG 39 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 2jyy s ASN 40 N 2.38 5.34 -0.75 6.15 6.03 -1.26 -4.56 114.94 128.27 2jyy s ASN 40 Ca 0.60 1.94 -0.26 0.00 -1.03 0.00 0.00 52.86 54.12 2jyy s ASN 40 Cb 0.20 -2.55 -0.06 0.00 -3.03 0.00 0.00 41.25 35.81 2jyy s ASN 40 CO -0.03 -1.47 2.10 0.00 -2.03 0.00 0.00 177.10 175.67 2jyy s ASP 42 N 9.32 6.34 0.54 0.00 -1.08 -1.22 -4.87 116.67 125.69 2jyy s ASP 42 Ca 0.79 2.32 0.27 0.00 -0.52 0.00 0.00 52.55 55.41 2jyy s ASP 42 Cb -0.11 -2.53 1.56 0.00 -1.46 0.00 0.00 42.92 40.38 2jyy s ASP 42 CO 0.10 -1.19 2.14 -0.65 0.52 0.00 0.00 175.17 176.09 2jyy h PRO 43 N 11.06 0.00 0.00 4.34 0.11 -1.92 -1.95 132.00 143.64 2jyy h PRO 43 Ca -0.44 0.00 -0.14 0.00 0.11 0.00 0.00 66.00 65.53 2jyy h PRO 43 Cb 1.21 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.30 2jyy h PRO 43 CO 0.95 0.07 -0.80 -0.09 -0.21 0.00 0.00 178.00 177.93 2jyy h ARG 44 N 0.00 0.00 -5.77 1.05 1.12 -1.97 -3.44 114.38 105.37 2jyy h ARG 44 Ca -0.00 0.00 -0.58 0.00 -1.11 0.00 0.00 59.98 58.29 2jyy h ARG 44 Cb 0.19 0.00 -0.08 0.00 -0.01 0.00 0.00 29.97 30.07 2jyy h ARG 44 CO 0.01 0.55 0.12 0.42 -3.11 0.00 0.00 179.97 177.96 2jyy s ILE 45 N -2.90 5.03 -0.13 1.20 1.01 -0.74 -4.18 121.20 120.48 2jyy s ILE 45 Ca 0.02 1.26 -0.08 0.00 0.00 0.00 0.00 60.65 61.85 2jyy s ILE 45 Cb 0.08 -3.97 -0.06 0.00 0.01 0.00 0.00 42.46 38.52 2jyy s ILE 45 CO 0.77 0.15 -0.19 0.00 0.00 0.00 0.00 174.94 175.67 2jyy n ALA 46 N 4.70 2.03 -3.22 9.38 0.00 -0.79 -4.63 120.51 127.98 2jyy n ALA 46 Ca -0.01 -0.56 -0.13 0.00 0.00 0.00 0.00 53.44 52.74 2jyy n ALA 46 Cb 0.50 0.28 -0.09 0.00 0.00 0.00 0.00 19.45 20.14 2jyy n ALA 46 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.50 179.02 2jyy s TYR 47 N -2.30 -0.21 -0.17 0.00 -0.85 -0.52 -2.76 117.35 110.53 2jyy s TYR 47 Ca -0.20 0.39 -0.04 0.00 -0.52 0.00 0.00 57.07 56.70 2jyy s TYR 47 Cb 0.07 0.09 -0.02 0.00 0.38 0.00 0.00 41.96 42.48 2jyy s TYR 47 CO 0.25 -0.33 -0.04 0.20 -1.52 0.00 0.00 175.55 174.12 2jyy s GLY 48 N -0.96 1.68 -0.40 5.49 0.00 -1.26 0.30 107.32 112.17 2jyy s GLY 48 Ca -0.10 -0.91 -0.20 0.00 0.00 0.00 0.00 44.72 43.50 2jyy s GLY 48 CO 0.03 0.06 0.63 -0.42 0.00 0.00 0.00 173.10 173.40 2jyy s ILE 49 N 0.66 4.86 -0.11 0.90 -1.09 0.19 -4.83 121.20 121.77 2jyy s ILE 49 Ca -0.02 0.32 -0.20 0.00 -2.23 0.00 0.00 60.65 58.51 2jyy s ILE 49 Cb -0.14 -4.14 -0.04 0.00 -1.58 0.00 0.00 42.46 36.56 2jyy s ILE 49 CO 0.02 -0.46 0.58 0.00 -1.23 0.00 0.00 174.94 173.85 2jyy n PRO 51 N 3.93 1.51 -3.64 0.00 -0.04 -1.26 -4.69 135.00 130.81 2jyy n PRO 51 Ca -0.04 -0.57 -0.03 0.00 -0.04 0.00 0.00 63.50 62.82 2jyy n PRO 51 Cb 0.51 -1.60 -0.07 0.00 -0.04 0.00 0.00 33.50 32.31 2jyy n PRO 51 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 2jyy s LEU 52 N 0.00 -0.39 0.00 1.53 2.96 -1.26 -5.15 118.68 116.37 2jyy s LEU 52 Ca 0.38 0.67 0.00 0.00 -0.22 0.00 0.00 54.13 54.96 2jyy s LEU 52 Cb 0.18 1.63 0.00 0.00 0.50 0.00 0.00 46.19 48.50 2jyy s LEU 52 CO 0.00 -0.11 0.00 0.00 -1.32 0.00 0.00 176.35 174.92