#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pya s LYS 3 N 0.00 1.19 -0.03 0.00 1.02 -1.26 -1.30 119.74 119.36 2pya s LYS 3 Ca 0.00 -0.93 0.01 0.00 0.02 0.00 0.00 55.97 55.08 2pya s LYS 3 Cb 0.00 -1.29 0.01 0.00 -0.52 0.00 0.00 37.83 36.03 2pya s LYS 3 CO 0.00 0.32 -0.04 -0.51 -0.92 0.00 0.00 175.35 174.20 2pya s LEU 4 N -1.32 1.54 0.04 3.17 1.02 0.07 -1.43 118.68 121.77 2pya s LEU 4 Ca 0.05 -0.11 -0.21 0.00 0.02 0.00 0.00 54.13 53.88 2pya s LEU 4 Cb -0.09 -0.37 -0.06 0.00 0.02 0.00 0.00 46.19 45.69 2pya s LEU 4 CO 0.02 -0.02 0.62 -0.94 0.02 0.00 0.00 176.35 176.06 2pya s SER 5 N 0.57 7.07 0.08 2.29 1.04 0.04 -0.48 113.70 124.30 2pya s SER 5 Ca -0.07 1.27 -0.31 0.00 0.48 0.00 0.00 55.95 57.32 2pya s SER 5 Cb -0.10 -2.39 -0.07 0.00 0.10 0.00 0.00 66.02 63.56 2pya s SER 5 CO -0.00 0.16 1.37 0.00 0.98 0.00 0.00 173.24 175.75 2pya h LYS 7 N 7.11 0.00 0.00 0.00 1.63 -1.27 -3.28 116.57 120.75 2pya h LYS 7 Ca -0.41 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.39 2pya h LYS 7 Cb 1.20 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.83 2pya h LYS 7 CO 0.87 0.15 -1.16 -0.89 -3.45 0.00 0.00 179.45 174.97 2pya n ILE 8 N -3.50 0.00 -3.79 2.00 2.08 -1.26 -5.00 119.36 109.89 2pya n ILE 8 Ca -0.01 -0.14 -0.09 0.00 0.56 0.00 0.00 62.75 63.08 2pya n ILE 8 Cb 0.31 0.78 -0.01 0.00 -0.75 0.00 0.00 39.64 39.97 2pya n ILE 8 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 2pya n GLY 10 N -0.38 -1.09 3.76 0.00 0.00 -1.26 -4.49 105.19 101.72 2pya n GLY 10 Ca -0.01 -0.16 -0.38 0.00 0.00 0.00 0.00 46.02 45.47 2pya n GLY 10 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2pya s TYR 11 N -2.32 2.50 -0.10 1.61 5.04 -1.26 -4.92 117.35 117.90 2pya s TYR 11 Ca 0.35 1.43 0.00 0.00 -2.44 0.00 0.00 57.07 56.41 2pya s TYR 11 Cb 0.20 -3.65 0.02 0.00 0.35 0.00 0.00 41.96 38.88 2pya s TYR 11 CO 0.39 -2.39 -0.10 0.42 -1.34 0.00 0.00 175.55 172.53 2pya s ILE 12 N -1.39 1.12 -0.39 3.14 1.01 -1.26 -1.53 121.20 121.89 2pya s ILE 12 Ca 0.69 -0.38 -0.23 0.00 0.00 0.00 0.00 60.65 60.73 2pya s ILE 12 Cb -0.36 -1.09 0.01 0.00 0.01 0.00 0.00 42.46 41.03 2pya s ILE 12 CO 0.43 0.37 0.79 -0.47 0.00 0.00 0.00 174.94 176.06 2pya s TYR 13 N 1.40 3.07 -0.26 3.97 5.04 0.36 -4.93 117.35 126.00 2pya s TYR 13 Ca -0.00 0.45 -0.09 0.00 -2.44 0.00 0.00 57.07 54.98 2pya s TYR 13 Cb -0.13 -3.49 -0.04 0.00 0.35 0.00 0.00 41.96 38.65 2pya s TYR 13 CO -0.05 -0.81 0.12 0.34 -1.34 0.00 0.00 175.55 173.81 2pya s ASP 14 N 1.93 5.53 0.50 4.32 -1.08 -1.26 -0.75 116.67 125.85 2pya s ASP 14 Ca 0.31 -0.11 0.22 0.00 -0.52 0.00 0.00 52.55 52.45 2pya s ASP 14 Cb -0.13 -2.01 1.28 0.00 -1.46 0.00 0.00 42.92 40.60 2pya s ASP 14 CO 0.19 -0.03 1.97 -0.33 0.52 0.00 0.00 175.17 177.49 2pya h GLU 15 N 8.24 0.14 0.00 4.34 5.08 -1.44 0.10 114.58 131.04 2pya h GLU 15 Ca -0.37 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 57.98 2pya h GLU 15 Cb 1.18 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.40 2pya h GLU 15 CO 0.57 0.09 0.00 -0.44 -1.00 0.00 0.00 179.01 178.23 2pya h ASP 16 N 0.14 0.00 0.26 1.42 5.19 -1.87 0.19 116.42 121.75 2pya h ASP 16 Ca 0.29 0.00 -0.34 0.00 -0.62 0.00 0.00 57.03 56.36 2pya h ASP 16 Cb 0.93 0.00 -0.05 0.00 0.18 0.00 0.00 39.33 40.40 2pya h ASP 16 CO -0.04 0.00 -1.98 -0.62 -3.12 0.00 0.00 179.24 173.48 2pya n GLU 17 N -2.50 0.68 0.00 3.56 -0.58 0.28 -3.97 120.64 118.11 2pya n GLU 17 Ca 0.03 0.23 0.00 0.00 -0.42 0.00 0.00 57.16 56.99 2pya n GLU 17 Cb 0.32 -1.70 0.00 0.00 -0.57 0.00 0.00 31.44 29.49 2pya n GLU 17 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2pya n GLY 18 N 1.79 0.61 2.21 0.62 0.00 -0.68 -3.81 105.19 105.93 2pya n GLY 18 Ca -0.27 -0.86 -0.22 0.00 0.00 0.00 0.00 46.02 44.67 2pya n GLY 18 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2pya n ASP 19 N -2.50 0.24 0.15 1.61 2.03 -0.39 -4.71 116.55 112.99 2pya n ASP 19 Ca 0.00 -2.80 0.03 0.00 0.52 0.00 0.00 54.79 52.53 2pya n ASP 19 Cb 0.00 -0.54 0.39 0.00 -0.72 0.00 0.00 41.12 40.24 2pya n ASP 19 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 2pya h PRO 20 N 3.72 0.15 0.00 -0.67 0.11 -1.67 -1.75 132.00 131.88 2pya h PRO 20 Ca 0.07 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 66.12 2pya h PRO 20 Cb 0.91 -0.02 -0.00 0.00 0.11 0.00 0.00 31.00 32.00 2pya h PRO 20 CO 0.46 0.36 -0.12 0.22 -0.21 0.00 0.00 178.00 178.71 2pya h ASP 21 N 0.14 0.00 -0.47 -2.05 -0.00 -1.95 -2.34 116.42 109.74 2pya h ASP 21 Ca 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.05 2pya h ASP 21 Cb 0.46 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.79 2pya h ASP 21 CO 0.03 0.12 0.00 0.59 -0.00 0.00 0.00 179.24 179.98 2pya n ASN 22 N -3.79 3.86 0.00 2.28 3.02 -0.89 -4.98 115.26 114.76 2pya n ASN 22 Ca -0.02 -2.36 0.00 0.00 -0.03 0.00 0.00 54.58 52.17 2pya n ASN 22 Cb 0.23 -0.44 0.00 0.00 -0.61 0.00 0.00 39.78 38.96 2pya n ASN 22 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2pya n GLY 23 N 0.62 0.76 3.28 7.41 0.00 -0.88 -5.07 105.19 111.31 2pya n GLY 23 Ca 0.20 -0.44 -0.36 0.00 0.00 0.00 0.00 46.02 45.42 2pya n GLY 23 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2pya s ILE 24 N -2.00 3.49 0.58 -0.61 -1.09 -0.71 -4.99 121.20 115.87 2pya s ILE 24 Ca 0.00 -0.89 -0.18 0.00 -2.23 0.00 0.00 60.65 57.35 2pya s ILE 24 Cb 0.00 -2.82 -0.04 0.00 -1.58 0.00 0.00 42.46 38.02 2pya s ILE 24 CO 0.00 0.09 1.13 -0.94 -1.23 0.00 0.00 174.94 173.99 2pya s SER 25 N 1.41 5.50 0.41 3.58 1.04 -1.26 -1.26 113.70 123.13 2pya s SER 25 Ca 0.01 2.13 -0.25 0.00 0.48 0.00 0.00 55.95 58.32 2pya s SER 25 Cb -0.17 -2.57 -0.11 0.00 0.10 0.00 0.00 66.02 63.27 2pya s SER 25 CO -0.00 -1.37 1.02 -2.65 0.98 0.00 0.00 173.24 171.22 2pya n PRO 26 N -1.66 1.38 -0.34 4.02 -0.02 -1.25 -2.53 135.00 134.59 2pya n PRO 26 Ca 0.11 0.49 0.00 0.00 -2.02 0.00 0.00 63.50 62.09 2pya n PRO 26 Cb 0.51 -2.04 0.00 0.00 -0.02 0.00 0.00 33.50 31.95 2pya n PRO 26 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2pya n GLY 27 N 1.17 0.77 3.66 -1.23 0.00 0.64 -4.85 105.19 105.35 2pya n GLY 27 Ca 0.09 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.68 2pya n GLY 27 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2pya s THR 28 N -2.74 4.38 0.59 2.61 2.01 -1.05 -4.89 115.64 116.55 2pya s THR 28 Ca 0.00 1.67 -0.18 0.00 0.31 0.00 0.00 61.69 63.49 2pya s THR 28 Cb 0.00 -4.08 -0.03 0.00 0.01 0.00 0.00 72.50 68.40 2pya s THR 28 CO 0.00 -0.15 1.13 -0.54 -0.69 0.00 0.00 174.62 174.38 2pya s LYS 29 N 3.40 3.10 0.27 4.92 1.02 -1.26 -4.57 119.74 126.62 2pya s LYS 29 Ca 0.52 1.56 -0.01 0.00 0.02 0.00 0.00 55.97 58.07 2pya s LYS 29 Cb -0.20 -1.97 0.50 0.00 -0.52 0.00 0.00 37.83 35.64 2pya s LYS 29 CO 0.13 -1.05 1.83 0.35 -0.92 0.00 0.00 175.35 175.69 2pya h PHE 30 N 0.73 1.05 -0.07 3.18 3.57 -1.94 -0.00 116.94 123.46 2pya h PHE 30 Ca -0.49 0.03 0.02 0.00 3.53 0.00 0.00 57.97 61.06 2pya h PHE 30 Cb 1.26 -0.33 -0.00 0.00 2.79 0.00 0.00 35.95 39.67 2pya h PHE 30 CO 0.52 0.42 0.08 1.05 -2.23 0.00 0.00 178.31 178.15 2pya h GLU 31 N 0.93 0.00 -0.02 1.11 4.11 -2.03 -1.98 114.58 116.70 2pya h GLU 31 Ca 0.47 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.90 2pya h GLU 31 Cb 0.45 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.70 2pya h GLU 31 CO -0.26 0.00 -0.32 -0.25 0.07 0.00 0.00 179.01 178.25 2pya n ASP 32 N -3.87 1.84 -4.77 3.06 8.00 -0.04 -4.92 116.55 115.86 2pya n ASP 32 Ca -0.01 -1.41 -0.41 0.00 0.71 0.00 0.00 54.79 53.67 2pya n ASP 32 Cb 0.18 0.28 -0.01 0.00 -0.02 0.00 0.00 41.12 41.55 2pya n ASP 32 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2pya s LEU 33 N -2.38 4.37 0.83 0.64 1.43 -0.75 -4.94 118.68 117.86 2pya s LEU 33 Ca 0.23 2.87 -0.12 0.00 -1.03 0.00 0.00 54.13 56.07 2pya s LEU 33 Cb 0.19 -3.65 0.09 0.00 0.03 0.00 0.00 46.19 42.85 2pya s LEU 33 CO 0.50 -0.75 1.17 -2.16 0.23 0.00 0.00 176.35 175.34 2pya s PRO 34 N -1.49 1.59 0.38 1.29 0.04 -1.26 -4.89 135.00 130.66 2pya s PRO 34 Ca 0.54 1.60 0.07 0.00 0.04 0.00 0.00 61.00 63.25 2pya s PRO 34 Cb -0.44 -1.79 0.76 0.00 0.04 0.00 0.00 34.50 33.07 2pya s PRO 34 CO 0.55 -2.22 1.96 -0.44 0.04 0.00 0.00 177.00 176.88 2pya h ASP 35 N -1.17 0.41 -0.45 6.66 3.32 -1.97 -1.62 116.42 121.60 2pya h ASP 35 Ca -0.45 -0.05 0.00 0.00 0.02 0.00 0.00 57.03 56.55 2pya h ASP 35 Cb 1.28 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 40.72 2pya h ASP 35 CO 0.46 0.43 0.00 0.47 -1.72 0.00 0.00 179.24 178.87 2pya n ASP 36 N -4.35 2.42 -4.76 6.45 9.92 -1.26 -4.74 116.55 120.23 2pya n ASP 36 Ca 0.01 -2.00 -0.41 0.00 -0.53 0.00 0.00 54.79 51.87 2pya n ASP 36 Cb 0.18 -0.30 -0.02 0.00 -0.64 0.00 0.00 41.12 40.34 2pya n ASP 36 CO 0.00 0.00 0.00 0.86 0.13 0.00 0.00 177.20 178.19 2pya s TRP 37 N -1.40 2.96 0.19 1.24 -0.00 -0.61 -5.02 118.94 116.30 2pya s TRP 37 Ca 0.30 1.16 0.04 0.00 -0.00 0.00 0.00 56.10 57.61 2pya s TRP 37 Cb 0.16 -3.81 -0.05 0.00 -0.00 0.00 0.00 33.47 29.77 2pya s TRP 37 CO 0.21 -2.48 -0.05 0.14 -0.00 0.00 0.00 176.95 174.77 2pya s VAL 38 N -0.52 1.10 0.14 5.86 -7.23 -1.26 -3.85 120.40 114.64 2pya s VAL 38 Ca 0.55 -2.05 -0.35 0.00 -1.81 0.00 0.00 61.98 58.33 2pya s VAL 38 Cb -0.42 -2.10 -0.15 0.00 0.56 0.00 0.00 36.38 34.27 2pya s VAL 38 CO 0.49 -0.53 1.47 0.00 -0.31 0.00 0.00 175.10 176.22 2pya h PRO 40 N 5.27 0.00 0.03 0.00 0.11 -1.97 -1.05 132.00 134.38 2pya h PRO 40 Ca -0.46 0.00 -0.38 0.00 0.11 0.00 0.00 66.00 65.27 2pya h PRO 40 Cb 1.29 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.34 2pya h PRO 40 CO 0.84 0.03 -2.21 1.28 -0.21 0.00 0.00 178.00 177.72 2pya n LEU 41 N -3.21 2.49 0.00 2.35 4.77 -1.26 -4.78 117.00 117.36 2pya n LEU 41 Ca -0.01 0.14 0.00 0.00 -0.03 0.00 0.00 56.01 56.11 2pya n LEU 41 Cb 0.21 -0.95 0.00 0.00 -2.33 0.00 0.00 43.42 40.35 2pya n LEU 41 CO 0.25 0.74 0.21 0.00 -1.33 0.00 0.00 177.39 177.26 2pya n GLY 43 N 0.13 0.57 3.79 0.00 0.00 -0.40 -4.95 105.19 104.32 2pya n GLY 43 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 2pya n GLY 43 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2pya s SER 44 N -2.32 6.51 0.89 1.61 0.01 -1.26 -4.52 113.70 114.63 2pya s SER 44 Ca 0.00 2.03 -0.14 0.00 1.31 0.00 0.00 55.95 59.15 2pya s SER 44 Cb 0.00 -2.58 0.14 0.00 0.21 0.00 0.00 66.02 63.80 2pya s SER 44 CO 0.00 -0.66 1.25 -2.16 0.41 0.00 0.00 173.24 172.08 2pya s PRO 45 N -2.80 1.25 0.47 12.44 0.04 -1.26 -0.52 135.00 144.62 2pya s PRO 45 Ca 0.62 -0.16 0.18 0.00 0.04 0.00 0.00 61.00 61.68 2pya s PRO 45 Cb -0.21 -1.89 1.17 0.00 0.04 0.00 0.00 34.50 33.61 2pya s PRO 45 CO 0.26 -2.04 1.99 0.87 0.04 0.00 0.00 177.00 178.11 2pya h LYS 46 N -1.37 0.24 0.00 4.56 1.57 -1.85 -0.58 116.57 119.13 2pya h LYS 46 Ca -0.45 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.31 2pya h LYS 46 Cb 1.28 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 33.54 2pya h LYS 46 CO 0.51 0.16 0.00 -1.13 -0.57 0.00 0.00 179.45 178.42 2pya n SER 47 N -4.45 0.56 -1.51 0.86 3.41 -1.26 -1.96 113.62 109.28 2pya n SER 47 Ca 0.10 0.72 0.11 0.00 -0.26 0.00 0.00 58.87 59.53 2pya n SER 47 Cb 0.45 -0.81 0.35 0.00 -0.26 0.00 0.00 64.21 63.94 2pya n SER 47 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2pya n GLU 48 N -2.21 3.29 -4.22 4.33 -0.58 -0.22 -4.94 120.64 116.09 2pya n GLU 48 Ca -0.00 -2.79 -0.33 0.00 -0.42 0.00 0.00 57.16 53.62 2pya n GLU 48 Cb 0.09 -1.76 -0.08 0.00 -0.57 0.00 0.00 31.44 29.12 2pya n GLU 48 CO 0.00 0.00 0.00 -0.06 -0.48 0.00 0.00 177.13 176.59 2pya s PHE 49 N -1.48 3.15 0.00 -0.32 0.40 -0.83 -0.73 117.98 118.17 2pya s PHE 49 Ca 0.51 0.12 0.00 0.00 -0.60 0.00 0.00 56.93 56.96 2pya s PHE 49 Cb 0.30 -1.69 -0.00 0.00 0.51 0.00 0.00 43.02 42.13 2pya s PHE 49 CO 0.29 0.49 -0.00 -1.83 0.70 0.00 0.00 175.22 174.87 2pya s GLU 50 N -1.62 0.04 0.38 0.44 -1.05 -0.70 -4.97 118.70 111.22 2pya s GLU 50 Ca 0.21 -0.05 -0.27 0.00 -0.15 0.00 0.00 54.97 54.71 2pya s GLU 50 Cb -0.12 -0.01 -0.11 0.00 -0.44 0.00 0.00 34.13 33.45 2pya s GLU 50 CO 0.11 0.00 1.28 0.54 0.95 0.00 0.00 175.26 178.15 2pya n ARG 51 N 2.97 2.05 -4.24 -4.83 5.12 -1.26 -0.78 116.66 115.68 2pya n ARG 51 Ca -0.13 0.72 -0.13 0.00 -1.93 0.00 0.00 57.85 56.38 2pya n ARG 51 Cb 0.60 -2.35 -0.10 0.00 -1.16 0.00 0.00 32.46 29.44 2pya n ARG 51 CO 0.00 0.00 0.00 0.96 -1.93 0.00 0.00 177.63 176.66 2pya s ILE 52 N -1.14 0.80 -2.00 0.55 -4.36 -0.51 -4.80 121.20 109.73 2pya s ILE 52 Ca 0.58 -1.99 0.14 0.00 -0.26 0.00 0.00 60.65 59.11 2pya s ILE 52 Cb -0.54 -2.01 0.39 0.00 1.25 0.00 0.00 42.46 41.54 2pya s ILE 52 CO 0.60 -0.58 1.23 -0.62 0.24 0.00 0.00 174.94 175.82