#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s24 s TYR 2 N 0.00 2.06 0.58 0.00 2.02 -1.26 -5.10 117.35 115.66 1s24 s TYR 2 Ca 0.00 -0.41 0.08 0.00 -0.37 0.00 0.00 57.07 56.37 1s24 s TYR 2 Cb 0.00 -1.33 0.08 0.00 -0.40 0.00 0.00 41.96 40.31 1s24 s TYR 2 CO 0.00 -0.05 0.66 -0.51 -1.57 0.00 0.00 175.55 174.08 1s24 s LEU 3 N -0.50 2.85 0.01 -1.29 1.02 -1.26 -4.94 118.68 114.57 1s24 s LEU 3 Ca 0.08 -1.07 0.00 0.00 0.02 0.00 0.00 54.13 53.16 1s24 s LEU 3 Cb -0.09 -1.32 -0.01 0.00 0.02 0.00 0.00 46.19 44.78 1s24 s LEU 3 CO -0.01 -1.32 -0.02 -0.54 0.02 0.00 0.00 176.35 174.48 1s24 s LYS 4 N -4.55 0.21 -0.04 1.70 1.02 -1.26 -2.61 119.74 114.21 1s24 s LYS 4 Ca 0.50 -0.38 0.04 0.00 0.02 0.00 0.00 55.97 56.15 1s24 s LYS 4 Cb -0.04 0.03 0.00 0.00 -0.52 0.00 0.00 37.83 37.30 1s24 s LYS 4 CO 0.32 -0.02 -0.15 -1.58 -0.92 0.00 0.00 175.35 173.00 1s24 s TRP 5 N -0.87 1.50 -0.12 3.18 0.52 -0.89 -2.50 118.94 119.76 1s24 s TRP 5 Ca -0.09 -0.44 -0.01 0.00 0.02 0.00 0.00 56.10 55.58 1s24 s TRP 5 Cb -0.06 -1.03 -0.02 0.00 -1.15 0.00 0.00 33.47 31.21 1s24 s TRP 5 CO -0.01 -0.17 -0.09 -1.50 0.02 0.00 0.00 176.95 175.21 1s24 s ILE 6 N 0.16 3.47 -0.73 2.03 1.10 -0.69 0.74 121.20 127.29 1s24 s ILE 6 Ca -0.05 -0.52 -0.27 0.00 -0.51 0.00 0.00 60.65 59.29 1s24 s ILE 6 Cb -0.11 -2.47 0.03 0.00 0.15 0.00 0.00 42.46 40.05 1s24 s ILE 6 CO 0.02 0.53 1.33 0.00 -2.11 0.00 0.00 174.94 174.71 1s24 h ILE 8 N 6.10 0.00 -0.35 0.00 2.10 -1.33 0.97 117.51 124.99 1s24 h ILE 8 Ca -0.28 0.00 -0.16 0.00 1.08 0.00 0.00 64.86 65.50 1s24 h ILE 8 Cb 1.06 0.71 -0.01 0.00 -1.09 0.00 0.00 36.82 37.49 1s24 h ILE 8 CO 1.27 0.00 -0.42 0.74 -1.08 0.00 0.00 178.15 178.66 1s24 h THR 9 N 0.00 1.27 0.00 2.19 2.02 -1.89 -3.40 112.91 113.11 1s24 h THR 9 Ca 0.00 -1.60 0.00 0.00 0.77 0.00 0.00 66.41 65.58 1s24 h THR 9 Cb 0.36 1.45 0.00 0.00 -1.74 0.00 0.00 68.15 68.21 1s24 h THR 9 CO 0.00 0.53 -0.66 0.00 0.37 0.00 0.00 175.52 175.76 1s24 n GLY 11 N 2.51 0.87 3.48 0.00 0.00 0.32 -5.03 105.19 107.34 1s24 n GLY 11 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 1s24 n GLY 11 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1s24 s HIS 12 N -1.32 3.04 -0.08 1.61 5.65 -1.25 -4.82 115.29 118.12 1s24 s HIS 12 Ca 0.00 -0.36 -0.16 0.00 0.25 0.00 0.00 55.06 54.79 1s24 s HIS 12 Cb 0.00 -2.01 -0.05 0.00 -1.18 0.00 0.00 32.58 29.34 1s24 s HIS 12 CO 0.00 -0.12 0.42 0.42 -0.65 0.00 0.00 174.74 174.81 1s24 s ILE 13 N 0.63 5.15 -0.25 0.89 1.01 -1.26 -0.95 121.20 126.41 1s24 s ILE 13 Ca -0.02 0.84 -0.09 0.00 0.00 0.00 0.00 60.65 61.39 1s24 s ILE 13 Cb -0.14 -3.75 -0.04 0.00 0.01 0.00 0.00 42.46 38.54 1s24 s ILE 13 CO 0.02 0.43 0.13 -0.47 0.00 0.00 0.00 174.94 175.05 1s24 s TYR 14 N -0.00 3.18 -0.46 3.97 5.04 0.23 -4.90 117.35 124.39 1s24 s TYR 14 Ca 0.23 -0.09 -0.16 0.00 -2.44 0.00 0.00 57.07 54.61 1s24 s TYR 14 Cb -0.15 -2.28 0.06 0.00 0.35 0.00 0.00 41.96 39.93 1s24 s TYR 14 CO 0.10 -0.19 0.42 -0.51 -1.34 0.00 0.00 175.55 174.03 1s24 s ASP 15 N 1.51 6.16 0.61 4.32 1.01 -1.26 -2.09 116.67 126.93 1s24 s ASP 15 Ca 0.06 -1.16 0.26 0.00 0.71 0.00 0.00 52.55 52.42 1s24 s ASP 15 Cb -0.15 -2.20 1.27 0.00 1.01 0.00 0.00 42.92 42.85 1s24 s ASP 15 CO 0.06 -0.65 1.69 -0.33 0.21 0.00 0.00 175.17 176.16 1s24 h GLU 16 N 8.77 0.00 -0.53 8.23 3.07 -1.69 0.88 114.58 133.31 1s24 h GLU 16 Ca -0.28 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.58 1s24 h GLU 16 Cb 1.11 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.02 1s24 h GLU 16 CO 0.86 0.00 0.00 0.00 -1.40 0.00 0.00 179.01 178.47 1s24 n ALA 17 N -2.17 2.71 -2.67 3.43 0.00 -1.26 -1.70 120.51 118.85 1s24 n ALA 17 Ca 0.09 -0.61 -0.05 0.00 0.00 0.00 0.00 53.44 52.88 1s24 n ALA 17 Cb 0.84 -1.01 0.08 0.00 0.00 0.00 0.00 19.45 19.36 1s24 n ALA 17 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1s24 n LEU 18 N 0.29 -1.32 0.00 0.00 0.00 0.31 -4.40 117.00 111.88 1s24 n LEU 18 Ca 0.10 -1.81 0.00 0.00 0.00 0.00 0.00 56.01 54.30 1s24 n LEU 18 Cb 0.41 0.59 0.00 0.00 0.00 0.00 0.00 43.42 44.41 1s24 n LEU 18 CO 0.09 1.59 0.00 0.61 0.00 0.00 0.00 177.39 179.68 1s24 n GLY 19 N 1.46 -2.55 3.65 -3.96 0.00 -1.18 -4.48 105.19 98.12 1s24 n GLY 19 Ca 0.01 -0.74 -0.23 0.00 0.00 0.00 0.00 46.02 45.06 1s24 n GLY 19 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1s24 s ASP 20 N -1.80 4.49 -0.11 1.61 2.15 -1.25 -4.97 116.67 116.79 1s24 s ASP 20 Ca 0.00 -0.72 0.18 0.00 0.43 0.00 0.00 52.55 52.44 1s24 s ASP 20 Cb 0.00 -0.77 -0.25 0.00 -0.30 0.00 0.00 42.92 41.60 1s24 s ASP 20 CO 0.00 -0.07 0.33 1.21 -0.17 0.00 0.00 175.17 176.47 1s24 n GLU 21 N -0.93 0.67 0.11 4.34 2.13 -1.26 -1.99 120.64 123.71 1s24 n GLU 21 Ca -0.06 0.03 -0.02 0.00 0.66 0.00 0.00 57.16 57.78 1s24 n GLU 21 Cb 0.60 -1.60 0.07 0.00 0.27 0.00 0.00 31.44 30.78 1s24 n GLU 21 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1s24 h ALA 22 N 1.23 0.71 -0.28 4.31 0.00 -1.96 -3.07 119.26 120.19 1s24 h ALA 22 Ca -0.37 -0.66 0.00 0.00 0.00 0.00 0.00 54.91 53.89 1s24 h ALA 22 Cb 1.92 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.59 1s24 h ALA 22 CO 0.03 0.90 0.00 0.39 0.00 0.00 0.00 179.25 180.57 1s24 n GLU 23 N -3.54 2.42 -2.27 0.00 -0.58 -1.26 -4.86 120.64 110.55 1s24 n GLU 23 Ca -0.00 -1.34 -0.20 0.00 -0.42 0.00 0.00 57.16 55.20 1s24 n GLU 23 Cb 0.74 -1.65 -0.02 0.00 -0.57 0.00 0.00 31.44 29.94 1s24 n GLU 23 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1s24 n GLY 24 N 0.54 -0.11 3.49 0.62 0.00 -1.16 -4.88 105.19 103.69 1s24 n GLY 24 Ca 0.12 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.70 1s24 n GLY 24 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1s24 s PHE 25 N -2.95 3.20 0.62 1.61 0.40 -0.84 -5.00 117.98 115.02 1s24 s PHE 25 Ca 0.00 -1.79 -0.17 0.00 -0.60 0.00 0.00 56.93 54.36 1s24 s PHE 25 Cb 0.00 -4.43 -0.09 0.00 0.51 0.00 0.00 43.02 39.01 1s24 s PHE 25 CO 0.00 -1.54 0.37 -2.37 0.70 0.00 0.00 175.22 172.38 1s24 n THR 26 N 5.33 1.69 -1.54 0.64 5.66 -1.26 -3.95 114.28 120.85 1s24 n THR 26 Ca 0.37 -0.47 -0.41 0.00 -3.05 0.00 0.00 64.05 60.48 1s24 n THR 26 Cb 0.45 -0.56 -0.05 0.00 -1.55 0.00 0.00 70.33 68.62 1s24 n THR 26 CO 0.00 0.00 0.00 -2.65 -3.05 0.00 0.00 175.07 169.37 1s24 n PRO 27 N 0.11 1.27 0.00 1.09 -0.02 -1.26 -2.79 135.00 133.39 1s24 n PRO 27 Ca 0.10 0.22 0.00 0.00 -2.02 0.00 0.00 63.50 61.80 1s24 n PRO 27 Cb 0.48 -3.07 0.00 0.00 -0.02 0.00 0.00 33.50 30.89 1s24 n PRO 27 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1s24 n GLY 28 N 6.06 1.30 3.76 -1.23 0.00 -1.18 -4.91 105.19 108.99 1s24 n GLY 28 Ca 0.38 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 46.01 1s24 n GLY 28 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1s24 s THR 29 N -1.79 5.00 -0.13 2.61 2.01 -0.69 -4.95 115.64 117.71 1s24 s THR 29 Ca 0.00 1.11 -0.04 0.00 0.31 0.00 0.00 61.69 63.07 1s24 s THR 29 Cb 0.00 -3.87 -0.03 0.00 0.01 0.00 0.00 72.50 68.61 1s24 s THR 29 CO 0.00 0.42 0.02 -0.13 -0.69 0.00 0.00 174.62 174.24 1s24 s ARG 30 N -0.09 3.42 0.21 4.92 3.00 -1.26 -4.34 118.95 124.81 1s24 s ARG 30 Ca 0.29 -0.38 -0.10 0.00 0.00 0.00 0.00 55.73 55.53 1s24 s ARG 30 Cb -0.17 -2.97 0.30 0.00 0.00 0.00 0.00 34.95 32.11 1s24 s ARG 30 CO 0.15 0.51 1.69 0.35 0.00 0.00 0.00 175.30 178.00 1s24 h PHE 31 N 5.82 0.13 -0.90 -0.53 3.57 -1.95 0.18 116.94 123.26 1s24 h PHE 31 Ca -0.44 0.04 0.11 0.00 3.53 0.00 0.00 57.97 61.20 1s24 h PHE 31 Cb 1.19 0.04 -0.08 0.00 2.79 0.00 0.00 35.95 39.89 1s24 h PHE 31 CO 0.61 -0.08 0.54 1.49 -2.23 0.00 0.00 178.31 178.64 1s24 h GLU 32 N 0.21 0.85 0.00 1.11 4.81 -1.98 -0.24 114.58 119.33 1s24 h GLU 32 Ca 0.32 -0.05 -0.08 0.00 -0.13 0.00 0.00 59.36 59.42 1s24 h GLU 32 Cb 0.49 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 29.67 1s24 h GLU 32 CO -0.44 0.56 -0.37 0.22 -0.73 0.00 0.00 179.01 178.25 1s24 h ASP 33 N 0.88 0.00 -2.69 1.04 1.82 -1.42 -3.43 116.42 112.61 1s24 h ASP 33 Ca 0.44 0.00 -0.56 0.00 -0.39 0.00 0.00 57.03 56.52 1s24 h ASP 33 Cb 0.42 0.00 -0.02 0.00 0.68 0.00 0.00 39.33 40.41 1s24 h ASP 33 CO -0.26 0.37 1.08 -0.63 -1.61 0.00 0.00 179.24 178.19 1s24 s ILE 34 N -3.23 3.71 0.00 2.25 1.01 0.43 -4.98 121.20 120.39 1s24 s ILE 34 Ca 0.03 0.84 0.00 0.00 0.00 0.00 0.00 60.65 61.52 1s24 s ILE 34 Cb 0.08 -3.60 0.00 0.00 0.01 0.00 0.00 42.46 38.95 1s24 s ILE 34 CO 0.70 -0.14 0.00 -2.65 0.00 0.00 0.00 174.94 172.85 1s24 n PRO 35 N 7.23 2.08 -0.01 2.79 -0.02 -1.26 -4.94 135.00 140.86 1s24 n PRO 35 Ca 0.17 0.00 0.11 0.00 -2.02 0.00 0.00 63.50 61.76 1s24 n PRO 35 Cb 0.44 0.00 -0.17 0.00 -0.02 0.00 0.00 33.50 33.75 1s24 n PRO 35 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1s24 n ASP 36 N 0.00 0.04 -0.35 2.55 8.00 -1.26 -4.38 116.55 121.15 1s24 n ASP 36 Ca 0.00 -0.01 0.12 0.00 0.71 0.00 0.00 54.79 55.61 1s24 n ASP 36 Cb 0.00 1.98 0.31 0.00 -0.02 0.00 0.00 41.12 43.39 1s24 n ASP 36 CO 0.00 0.00 0.00 0.44 -0.39 0.00 0.00 177.20 177.25 1s24 h ASP 37 N 0.00 0.80 -4.05 -2.24 5.19 -2.01 -3.41 116.42 110.70 1s24 h ASP 37 Ca 0.00 0.09 -0.49 0.00 -0.62 0.00 0.00 57.03 56.02 1s24 h ASP 37 Cb 0.99 -0.05 0.16 0.00 0.18 0.00 0.00 39.33 40.60 1s24 h ASP 37 CO 0.00 0.30 0.23 0.86 -3.12 0.00 0.00 179.24 177.51 1s24 s TRP 38 N -5.87 2.16 0.00 4.55 -0.00 -1.26 -5.04 118.94 113.48 1s24 s TRP 38 Ca -0.11 1.36 0.00 0.00 -0.00 0.00 0.00 56.10 57.35 1s24 s TRP 38 Cb 0.25 -3.16 0.00 0.00 -0.00 0.00 0.00 33.47 30.56 1s24 s TRP 38 CO 0.80 -2.52 0.00 0.00 -0.00 0.00 0.00 176.95 175.23 1s24 n PRO 41 N 5.61 0.10 -0.06 0.00 -0.04 -1.26 -1.71 135.00 137.64 1s24 n PRO 41 Ca 0.01 0.48 -0.03 0.00 -0.04 0.00 0.00 63.50 63.92 1s24 n PRO 41 Cb 0.49 -1.75 -0.14 0.00 -0.04 0.00 0.00 33.50 32.05 1s24 n PRO 41 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1s24 n ASP 42 N -1.95 0.64 0.00 3.54 8.00 -1.26 -4.88 116.55 120.64 1s24 n ASP 42 Ca 0.01 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.51 1s24 n ASP 42 Cb 0.10 1.23 0.00 0.00 -0.02 0.00 0.00 41.12 42.43 1s24 n ASP 42 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1s24 n GLY 44 N 3.28 0.68 1.90 0.00 0.00 -0.69 -4.94 105.19 105.42 1s24 n GLY 44 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.86 1s24 n GLY 44 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s24 n ALA 45 N 0.00 0.25 -1.21 4.61 0.00 -1.26 -4.84 120.51 118.06 1s24 n ALA 45 Ca 0.00 -1.19 0.00 0.00 0.00 0.00 0.00 53.44 52.25 1s24 n ALA 45 Cb 0.00 0.68 0.00 0.00 0.00 0.00 0.00 19.45 20.13 1s24 n ALA 45 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1s24 n THR 46 N -0.63 0.00 0.51 0.00 -2.24 -1.26 -3.30 114.28 107.36 1s24 n THR 46 Ca -0.09 0.00 0.06 0.00 -2.27 0.00 0.00 64.05 61.75 1s24 n THR 46 Cb 0.34 -1.87 0.30 0.00 -2.10 0.00 0.00 70.33 66.99 1s24 n THR 46 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1s24 n LYS 47 N -0.67 0.06 -0.29 -0.78 5.02 -1.26 -3.25 118.16 116.98 1s24 n LYS 47 Ca 0.00 0.24 0.08 0.00 -2.02 0.00 0.00 58.31 56.61 1s24 n LYS 47 Cb 0.00 -1.50 0.24 0.00 -0.02 0.00 0.00 35.03 33.75 1s24 n LYS 47 CO 0.00 0.00 0.00 1.49 -0.52 0.00 0.00 177.40 178.37 1s24 h GLU 48 N 0.00 0.52 0.00 1.97 4.81 -2.02 0.39 114.58 120.25 1s24 h GLU 48 Ca 0.00 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.19 1s24 h GLU 48 Cb 0.20 -0.12 -0.00 0.00 0.63 0.00 0.00 28.75 29.46 1s24 h GLU 48 CO 0.00 0.34 -0.05 0.38 -0.73 0.00 0.00 179.01 178.95 1s24 h ASP 49 N 0.53 0.00 -3.28 1.04 3.04 -1.92 -3.44 116.42 112.40 1s24 h ASP 49 Ca 0.48 0.00 -0.58 0.00 -3.24 0.00 0.00 57.03 53.69 1s24 h ASP 49 Cb 0.76 0.00 -0.08 0.00 -1.04 0.00 0.00 39.33 38.97 1s24 h ASP 49 CO -0.41 0.05 -0.18 -0.31 -2.04 0.00 0.00 179.24 176.34 1s24 s TYR 50 N -3.38 3.53 0.27 4.15 2.02 0.14 -0.83 117.35 123.25 1s24 s TYR 50 Ca 0.04 0.85 0.08 0.00 -0.37 0.00 0.00 57.07 57.67 1s24 s TYR 50 Cb 0.07 -2.48 -0.06 0.00 -0.40 0.00 0.00 41.96 39.10 1s24 s TYR 50 CO 0.63 0.25 -0.10 0.14 -1.57 0.00 0.00 175.55 174.90 1s24 s VAL 51 N 0.36 1.86 -0.23 0.71 -7.23 -0.65 -4.90 120.40 110.33 1s24 s VAL 51 Ca 0.24 -2.19 -0.27 0.00 -1.81 0.00 0.00 61.98 57.94 1s24 s VAL 51 Cb -0.15 -2.38 0.00 0.00 0.56 0.00 0.00 36.38 34.42 1s24 s VAL 51 CO 0.09 -0.36 0.96 -0.22 -0.31 0.00 0.00 175.10 175.26 1s24 s LEU 52 N -3.45 4.10 -0.33 1.32 0.20 -1.26 -1.70 118.68 117.56 1s24 s LEU 52 Ca 0.29 1.26 -0.29 0.00 0.69 0.00 0.00 54.13 56.08 1s24 s LEU 52 Cb 0.01 -3.41 0.00 0.00 -0.43 0.00 0.00 46.19 42.37 1s24 s LEU 52 CO 0.12 -0.60 1.34 -0.47 -0.29 0.00 0.00 176.35 176.45 1s24 s TYR 53 N 2.99 2.59 0.26 5.38 6.14 -1.04 -4.93 117.35 128.74 1s24 s TYR 53 Ca 0.41 0.80 -0.15 0.00 0.64 0.00 0.00 57.07 58.77 1s24 s TYR 53 Cb -0.15 -4.02 -0.08 0.00 0.42 0.00 0.00 41.96 38.12 1s24 s TYR 53 CO 0.07 -1.83 0.67 -1.83 0.64 0.00 0.00 175.55 173.27 1s24 s GLU 54 N 4.39 4.01 -1.01 4.97 1.03 -1.26 -4.82 118.70 126.01 1s24 s GLU 54 Ca 0.58 0.61 -0.02 0.00 0.03 0.00 0.00 54.97 56.17 1s24 s GLU 54 Cb -0.16 -2.62 0.30 0.00 -0.80 0.00 0.00 34.13 30.85 1s24 s GLU 54 CO 0.26 0.27 1.93 0.39 -1.33 0.00 0.00 175.26 176.79 1s24 n GLU 55 N 0.03 4.81 0.00 -4.83 1.02 -1.26 -5.22 120.64 115.19 1s24 n GLU 55 Ca 0.01 -4.30 0.00 0.00 -0.02 0.00 0.00 57.16 52.85 1s24 n GLU 55 Cb 0.52 -2.44 0.00 0.00 -0.02 0.00 0.00 31.44 29.51 1s24 n GLU 55 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48