#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kyu s ALA 1 N 0.00 3.44 0.07 3.04 0.00 -1.26 -4.83 121.76 122.23 3kyu s ALA 1 Ca 0.00 -0.52 0.08 0.00 0.00 0.00 0.00 51.96 51.52 3kyu s ALA 1 Cb 0.00 -2.53 -0.04 0.00 0.00 0.00 0.00 23.12 20.55 3kyu s ALA 1 CO 0.00 -0.25 -0.18 0.15 0.00 0.00 0.00 175.76 175.48 3kyu s LYS 2 N -4.55 1.94 -0.00 0.00 1.02 -1.26 -1.40 119.74 115.49 3kyu s LYS 2 Ca 0.47 -1.07 0.04 0.00 0.02 0.00 0.00 55.97 55.43 3kyu s LYS 2 Cb -0.10 -2.15 -0.01 0.00 -0.52 0.00 0.00 37.83 35.04 3kyu s LYS 2 CO 0.42 0.51 -0.14 -1.58 -0.92 0.00 0.00 175.35 173.64 3kyu s TRP 3 N -1.01 1.24 -0.11 3.18 0.52 -0.03 -0.62 118.94 122.10 3kyu s TRP 3 Ca 0.16 -0.25 -0.04 0.00 0.02 0.00 0.00 56.10 55.99 3kyu s TRP 3 Cb -0.11 -0.79 -0.04 0.00 -1.15 0.00 0.00 33.47 31.39 3kyu s TRP 3 CO 0.07 -0.01 0.06 0.54 0.02 0.00 0.00 176.95 177.63 3kyu s VAL 4 N -0.39 4.81 -0.26 4.03 0.11 -0.03 -0.22 120.40 128.46 3kyu s VAL 4 Ca 0.05 -0.05 -0.29 0.00 -2.93 0.00 0.00 61.98 58.76 3kyu s VAL 4 Cb -0.06 -3.07 -0.01 0.00 -1.53 0.00 0.00 36.38 31.71 3kyu s VAL 4 CO -0.00 0.59 1.37 0.00 -3.33 0.00 0.00 175.10 173.73 3kyu n LYS 6 N 7.29 0.12 -0.08 0.00 4.76 0.05 -1.34 118.16 128.95 3kyu n LYS 6 Ca 0.16 0.15 -0.13 0.00 -2.87 0.00 0.00 58.31 55.62 3kyu n LYS 6 Cb 0.46 -1.50 -0.08 0.00 -1.84 0.00 0.00 35.03 32.07 3kyu n LYS 6 CO 0.00 0.00 0.00 0.82 -1.37 0.00 0.00 177.40 176.85 3kyu h ILE 7 N 0.00 0.78 0.00 -0.18 1.08 -1.91 -3.44 117.51 113.84 3kyu h ILE 7 Ca 0.00 -1.78 0.00 0.00 -0.39 0.00 0.00 64.86 62.69 3kyu h ILE 7 Cb 0.25 1.67 0.00 0.00 -3.07 0.00 0.00 36.82 35.67 3kyu h ILE 7 CO 0.00 0.26 -0.15 0.00 -0.69 0.00 0.00 178.15 177.58 3kyu n GLY 9 N 1.10 0.91 3.68 0.00 0.00 -0.45 -5.04 105.19 105.40 3kyu n GLY 9 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 3kyu n GLY 9 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 3kyu n TYR 10 N -2.00 2.07 -3.67 1.61 9.36 -1.26 -4.69 117.16 118.59 3kyu n TYR 10 Ca 0.00 0.56 -0.38 0.00 3.32 0.00 0.00 57.90 61.40 3kyu n TYR 10 Cb 0.00 -2.38 -0.12 0.00 -0.63 0.00 0.00 39.34 36.21 3kyu n TYR 10 CO 0.00 0.00 0.00 0.42 0.22 0.00 0.00 176.86 177.50 3kyu s ILE 11 N -1.13 4.61 -0.51 2.97 -1.09 -1.26 -0.56 121.20 124.23 3kyu s ILE 11 Ca 0.57 -0.33 -0.27 0.00 -2.23 0.00 0.00 60.65 58.40 3kyu s ILE 11 Cb -0.57 -3.30 0.03 0.00 -1.58 0.00 0.00 42.46 37.04 3kyu s ILE 11 CO 0.61 0.13 1.07 -0.47 -1.23 0.00 0.00 174.94 175.05 3kyu s TYR 12 N 1.63 2.78 -0.40 3.97 5.04 0.70 -4.92 117.35 126.15 3kyu s TYR 12 Ca 0.05 0.43 -0.15 0.00 -2.44 0.00 0.00 57.07 54.96 3kyu s TYR 12 Cb -0.17 -4.28 0.01 0.00 0.35 0.00 0.00 41.96 37.87 3kyu s TYR 12 CO 0.06 -1.33 0.31 0.34 -1.34 0.00 0.00 175.55 173.59 3kyu s ASP 13 N 2.61 6.11 0.45 4.32 -1.08 -1.26 -0.85 116.67 126.97 3kyu s ASP 13 Ca 0.41 -0.76 0.19 0.00 -0.52 0.00 0.00 52.55 51.87 3kyu s ASP 13 Cb -0.09 -2.16 1.15 0.00 -1.46 0.00 0.00 42.92 40.36 3kyu s ASP 13 CO 0.27 -0.42 1.93 -0.33 0.52 0.00 0.00 175.17 177.14 3kyu h GLU 14 N 8.61 0.30 0.00 4.34 5.08 -1.49 0.24 114.58 131.66 3kyu h GLU 14 Ca -0.28 -0.02 -0.05 0.00 -1.00 0.00 0.00 59.36 58.01 3kyu h GLU 14 Cb 1.13 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 30.30 3kyu h GLU 14 CO 0.72 0.20 -0.26 -0.44 -1.00 0.00 0.00 179.01 178.22 3kyu h ASP 15 N 0.31 0.00 0.70 1.42 3.32 -1.88 0.25 116.42 120.53 3kyu h ASP 15 Ca 0.36 0.00 -0.20 0.00 0.02 0.00 0.00 57.03 57.21 3kyu h ASP 15 Cb 0.96 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.47 3kyu h ASP 15 CO -0.09 0.26 -1.43 0.00 -1.72 0.00 0.00 179.24 176.26 3kyu h ALA 16 N 1.74 0.68 -0.91 3.45 0.00 -1.38 -3.31 119.26 119.53 3kyu h ALA 16 Ca -0.00 -1.00 0.00 0.00 0.00 0.00 0.00 54.91 53.91 3kyu h ALA 16 Cb 0.58 0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.67 3kyu h ALA 16 CO 0.03 1.10 0.00 0.41 0.00 0.00 0.00 179.25 180.79 3kyu n GLY 17 N 1.43 1.29 2.61 0.00 0.00 -0.44 -3.95 105.19 106.12 3kyu n GLY 17 Ca -0.11 -0.56 -0.11 0.00 0.00 0.00 0.00 46.02 45.24 3kyu n GLY 17 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3kyu n ASP 18 N -2.54 -1.92 -0.14 1.61 2.03 -0.21 -4.68 116.55 110.70 3kyu n ASP 18 Ca 0.00 -3.35 0.06 0.00 0.52 0.00 0.00 54.79 52.02 3kyu n ASP 18 Cb 0.00 1.31 0.37 0.00 -0.72 0.00 0.00 41.12 42.08 3kyu n ASP 18 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 3kyu h PRO 19 N 3.52 0.69 0.00 -0.67 0.11 -1.51 -0.73 132.00 133.41 3kyu h PRO 19 Ca -0.08 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 65.99 3kyu h PRO 19 Cb 1.03 -0.16 -0.00 0.00 0.11 0.00 0.00 31.00 31.99 3kyu h PRO 19 CO 0.29 0.45 -0.01 -0.44 -0.21 0.00 0.00 178.00 178.08 3kyu h ASP 20 N 0.71 0.00 -0.03 -2.05 3.32 -1.96 -2.15 116.42 114.26 3kyu h ASP 20 Ca 0.27 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.31 3kyu h ASP 20 Cb 0.17 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.71 3kyu h ASP 20 CO -0.08 0.01 -0.26 0.59 -1.72 0.00 0.00 179.24 177.78 3kyu n ASN 21 N -3.22 2.09 0.00 6.45 3.02 -0.37 -4.98 115.26 118.25 3kyu n ASN 21 Ca -0.02 -3.55 0.00 0.00 -0.03 0.00 0.00 54.58 50.98 3kyu n ASN 21 Cb 0.12 -0.50 0.00 0.00 -0.61 0.00 0.00 39.78 38.80 3kyu n ASN 21 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3kyu n GLY 22 N -1.23 0.65 2.99 7.41 0.00 -0.81 -5.03 105.19 109.17 3kyu n GLY 22 Ca 0.19 -0.61 -0.31 0.00 0.00 0.00 0.00 46.02 45.29 3kyu n GLY 22 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kyu s ILE 23 N -2.00 1.66 0.56 -0.61 -1.09 -0.67 -4.97 121.20 114.08 3kyu s ILE 23 Ca 0.00 -1.10 -0.19 0.00 -2.23 0.00 0.00 60.65 57.14 3kyu s ILE 23 Cb 0.00 -1.78 -0.05 0.00 -1.58 0.00 0.00 42.46 39.05 3kyu s ILE 23 CO 0.00 0.10 1.12 -0.94 -1.23 0.00 0.00 174.94 173.99 3kyu s SER 24 N 1.37 5.70 0.29 3.58 1.04 -1.26 -1.05 113.70 123.37 3kyu s SER 24 Ca -0.03 2.12 -0.29 0.00 0.48 0.00 0.00 55.95 58.23 3kyu s SER 24 Cb -0.17 -2.57 -0.13 0.00 0.10 0.00 0.00 66.02 63.25 3kyu s SER 24 CO -0.08 -1.23 1.30 -2.65 0.98 0.00 0.00 173.24 171.56 3kyu n PRO 25 N -1.44 1.96 -0.17 4.02 -0.02 -1.25 -2.70 135.00 135.40 3kyu n PRO 25 Ca 0.11 0.69 0.00 0.00 -2.02 0.00 0.00 63.50 62.28 3kyu n PRO 25 Cb 0.51 -2.27 0.00 0.00 -0.02 0.00 0.00 33.50 31.72 3kyu n PRO 25 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3kyu n GLY 26 N 1.43 0.66 3.65 -1.23 0.00 0.86 -4.85 105.19 105.72 3kyu n GLY 26 Ca 0.08 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.68 3kyu n GLY 26 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3kyu s THR 27 N -2.25 4.69 0.61 2.61 2.01 -1.10 -4.92 115.64 117.29 3kyu s THR 27 Ca 0.00 1.80 -0.18 0.00 0.31 0.00 0.00 61.69 63.62 3kyu s THR 27 Cb 0.00 -4.28 -0.03 0.00 0.01 0.00 0.00 72.50 68.21 3kyu s THR 27 CO 0.00 -0.22 1.22 -0.54 -0.69 0.00 0.00 174.62 174.39 3kyu s LYS 28 N 3.20 2.85 0.25 4.92 1.02 -1.26 -4.61 119.74 126.10 3kyu s LYS 28 Ca 0.41 1.86 -0.04 0.00 0.02 0.00 0.00 55.97 58.23 3kyu s LYS 28 Cb -0.14 -1.91 0.39 0.00 -0.52 0.00 0.00 37.83 35.65 3kyu s LYS 28 CO 0.09 -1.31 1.84 0.35 -0.92 0.00 0.00 175.35 175.40 3kyu h PHE 29 N 0.76 0.98 -0.58 3.18 3.57 -1.94 -0.27 116.94 122.63 3kyu h PHE 29 Ca -0.50 0.03 0.10 0.00 3.53 0.00 0.00 57.97 61.13 3kyu h PHE 29 Cb 1.30 -0.31 -0.03 0.00 2.79 0.00 0.00 35.95 39.70 3kyu h PHE 29 CO 0.46 0.45 0.39 0.93 -2.23 0.00 0.00 178.31 178.31 3kyu h GLU 30 N 0.93 0.34 -0.00 1.11 3.07 -2.02 -1.71 114.58 116.30 3kyu h GLU 30 Ca 0.40 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 59.24 3kyu h GLU 30 Cb 0.28 -0.08 0.00 0.00 -0.84 0.00 0.00 28.75 28.11 3kyu h GLU 30 CO -0.21 0.23 -0.20 0.39 -1.40 0.00 0.00 179.01 177.82 3kyu n GLU 31 N -4.46 0.34 -1.77 2.33 -0.58 -0.13 -4.84 120.64 111.53 3kyu n GLU 31 Ca 0.09 -0.13 -0.41 0.00 -0.42 0.00 0.00 57.16 56.29 3kyu n GLU 31 Cb 0.39 -1.50 -0.00 0.00 -0.57 0.00 0.00 31.44 29.76 3kyu n GLU 31 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 3kyu n LEU 32 N -1.21 4.75 -4.53 -4.62 4.77 -0.65 -4.92 117.00 110.59 3kyu n LEU 32 Ca 0.10 1.21 -0.38 0.00 -0.03 0.00 0.00 56.01 56.92 3kyu n LEU 32 Cb 0.31 -1.62 0.05 0.00 -2.33 0.00 0.00 43.42 39.83 3kyu n LEU 32 CO 0.28 0.18 0.25 -2.65 -1.33 0.00 0.00 177.39 174.12 3kyu n PRO 33 N 0.74 0.62 -0.02 3.23 -0.02 -1.26 -4.84 135.00 133.45 3kyu n PRO 33 Ca 0.02 0.25 0.15 0.00 -2.02 0.00 0.00 63.50 61.90 3kyu n PRO 33 Cb 0.39 -1.90 0.59 0.00 -0.02 0.00 0.00 33.50 32.56 3kyu n PRO 33 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 3kyu h ASP 34 N 0.24 0.19 -0.60 2.55 3.32 -1.93 -0.63 116.42 119.55 3kyu h ASP 34 Ca -0.47 0.01 0.00 0.00 0.02 0.00 0.00 57.03 56.59 3kyu h ASP 34 Cb 1.38 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 40.90 3kyu h ASP 34 CO 0.48 0.11 0.00 -0.90 -1.72 0.00 0.00 179.24 177.21 3kyu n ASP 35 N -4.44 3.41 -4.76 6.45 5.75 -1.26 -4.68 116.55 117.01 3kyu n ASP 35 Ca 0.09 -1.99 -0.40 0.00 -0.01 0.00 0.00 54.79 52.48 3kyu n ASP 35 Cb 0.45 -0.40 0.02 0.00 -1.03 0.00 0.00 41.12 40.16 3kyu n ASP 35 CO 0.00 0.00 0.00 0.86 -0.11 0.00 0.00 177.20 177.95 3kyu s TRP 36 N -1.20 2.48 0.18 2.11 -0.00 -0.25 -5.02 118.94 117.24 3kyu s TRP 36 Ca 0.42 1.30 0.05 0.00 -0.00 0.00 0.00 56.10 57.87 3kyu s TRP 36 Cb 0.22 -3.87 -0.05 0.00 -0.00 0.00 0.00 33.47 29.78 3kyu s TRP 36 CO 0.30 -2.82 -0.08 0.14 -0.00 0.00 0.00 176.95 174.49 3kyu s VAL 37 N -1.23 1.22 0.08 5.86 -7.23 -1.26 -3.85 120.40 114.00 3kyu s VAL 37 Ca 0.62 -2.08 -0.35 0.00 -1.81 0.00 0.00 61.98 58.36 3kyu s VAL 37 Cb -0.42 -2.03 -0.14 0.00 0.56 0.00 0.00 36.38 34.34 3kyu s VAL 37 CO 0.54 -0.60 1.57 0.00 -0.31 0.00 0.00 175.10 176.30 3kyu h PRO 39 N 6.09 0.00 0.00 0.00 0.13 -1.96 -0.86 132.00 135.39 3kyu h PRO 39 Ca -0.46 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.60 3kyu h PRO 39 Cb 1.28 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.40 3kyu h PRO 39 CO 0.87 0.00 -0.75 -0.89 -0.23 0.00 0.00 178.00 177.00 3kyu n ILE 40 N -2.46 1.45 0.52 -3.56 2.08 -1.26 -4.75 119.36 111.38 3kyu n ILE 40 Ca 0.02 0.15 0.05 0.00 0.56 0.00 0.00 62.75 63.53 3kyu n ILE 40 Cb 0.25 -2.30 -0.05 0.00 -0.75 0.00 0.00 39.64 36.80 3kyu n ILE 40 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 3kyu n GLY 42 N 1.19 0.70 3.77 0.00 0.00 -0.33 -4.99 105.19 105.53 3kyu n GLY 42 Ca 0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 3kyu n GLY 42 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kyu s ALA 43 N -2.54 3.49 1.09 4.61 0.00 -1.26 -4.49 121.76 122.67 3kyu s ALA 43 Ca 0.00 1.39 -0.12 0.00 0.00 0.00 0.00 51.96 53.24 3kyu s ALA 43 Cb 0.00 -3.54 0.24 0.00 0.00 0.00 0.00 23.12 19.83 3kyu s ALA 43 CO 0.00 -0.86 1.06 -2.14 0.00 0.00 0.00 175.76 173.83 3kyu s PRO 44 N -2.00 -0.37 0.47 0.00 0.02 -1.26 -0.67 135.00 131.20 3kyu s PRO 44 Ca 0.52 1.03 0.18 0.00 0.02 0.00 0.00 61.00 62.75 3kyu s PRO 44 Cb -0.42 -1.60 1.17 0.00 0.02 0.00 0.00 34.50 33.66 3kyu s PRO 44 CO 0.57 -3.41 2.00 0.87 -0.33 0.00 0.00 177.00 176.70 3kyu h LYS 45 N -2.41 0.23 -0.26 5.54 1.57 -1.84 -1.71 116.57 117.69 3kyu h LYS 45 Ca -0.56 -0.01 0.08 0.00 -1.87 0.00 0.00 60.65 58.28 3kyu h LYS 45 Cb 1.31 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 33.56 3kyu h LYS 45 CO 0.48 0.15 0.30 0.66 -0.57 0.00 0.00 179.45 180.47 3kyu h SER 46 N 0.24 0.00 -0.37 0.86 4.64 -1.94 -2.31 113.55 114.67 3kyu h SER 46 Ca 0.24 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.56 3kyu h SER 46 Cb 0.64 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.73 3kyu h SER 46 CO -0.05 0.00 0.00 -0.62 -0.87 0.00 0.00 176.83 175.29 3kyu n GLU 47 N -3.72 1.94 -3.87 4.77 -0.58 -0.64 -4.87 120.64 113.67 3kyu n GLU 47 Ca 0.04 -1.45 -0.35 0.00 -0.42 0.00 0.00 57.16 54.98 3kyu n GLU 47 Cb 0.44 -1.34 -0.05 0.00 -0.57 0.00 0.00 31.44 29.91 3kyu n GLU 47 CO 0.00 0.00 0.00 -0.06 -0.48 0.00 0.00 177.13 176.59 3kyu s PHE 48 N -1.51 3.58 0.03 -0.32 0.40 -0.87 -0.77 117.98 118.51 3kyu s PHE 48 Ca 0.29 0.46 0.06 0.00 -0.60 0.00 0.00 56.93 57.15 3kyu s PHE 48 Cb 0.15 -1.90 -0.02 0.00 0.51 0.00 0.00 43.02 41.76 3kyu s PHE 48 CO 0.21 0.68 -0.18 -1.21 0.70 0.00 0.00 175.22 175.41 3kyu s GLU 49 N -1.57 1.29 0.13 0.44 2.02 -0.38 -4.95 118.70 115.69 3kyu s GLU 49 Ca 0.23 -0.82 -0.30 0.00 0.02 0.00 0.00 54.97 54.10 3kyu s GLU 49 Cb -0.13 -1.34 -0.07 0.00 0.10 0.00 0.00 34.13 32.70 3kyu s GLU 49 CO 0.13 0.35 1.15 0.21 0.02 0.00 0.00 175.26 177.11 3kyu s LYS 50 N -0.98 4.52 -1.23 1.61 2.20 -1.26 -0.85 119.74 123.75 3kyu s LYS 50 Ca 0.06 1.75 -0.15 0.00 -0.36 0.00 0.00 55.97 57.27 3kyu s LYS 50 Cb -0.08 -3.30 0.15 0.00 -1.51 0.00 0.00 37.83 33.09 3kyu s LYS 50 CO 0.01 -0.07 1.50 -0.51 -0.36 0.00 0.00 175.35 175.91 3kyu s LEU 51 N 0.20 4.81 0.13 5.43 1.43 0.21 -4.84 118.68 126.05 3kyu s LEU 51 Ca 0.53 -2.90 -0.22 0.00 -1.03 0.00 0.00 54.13 50.51 3kyu s LEU 51 Cb -0.30 -2.44 0.06 0.00 0.03 0.00 0.00 46.19 43.55 3kyu s LEU 51 CO 0.33 -0.83 0.56 -1.83 0.23 0.00 0.00 176.35 174.81 3kyu s GLU 52 N 2.09 1.21 0.00 1.70 -1.05 -1.26 -4.74 118.70 116.65 3kyu s GLU 52 Ca 0.45 -0.46 0.12 0.00 -0.15 0.00 0.00 54.97 54.93 3kyu s GLU 52 Cb -0.01 0.55 0.72 0.00 -0.44 0.00 0.00 34.13 34.95 3kyu s GLU 52 CO 0.02 -0.51 1.15 -3.47 0.95 0.00 0.00 175.26 173.40