#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sau s GLU 3 N 0.00 1.60 -0.13 -0.52 2.12 -1.26 -0.67 118.70 119.83 1sau s GLU 3 Ca 0.00 -1.31 -0.01 0.00 0.36 0.00 0.00 54.97 54.00 1sau s GLU 3 Cb 0.00 -1.98 0.04 0.00 0.26 0.00 0.00 34.13 32.45 1sau s GLU 3 CO 0.00 0.45 -0.02 -1.17 -0.54 0.00 0.00 175.26 173.99 1sau s LEU 4 N -2.24 1.10 -0.24 2.70 2.96 0.33 -4.87 118.68 118.43 1sau s LEU 4 Ca 0.17 -0.46 -0.14 0.00 -0.22 0.00 0.00 54.13 53.48 1sau s LEU 4 Cb -0.10 -0.67 -0.04 0.00 0.50 0.00 0.00 46.19 45.89 1sau s LEU 4 CO 0.09 -0.21 0.33 -0.70 -1.32 0.00 0.00 176.35 174.54 1sau s GLU 5 N 1.81 4.07 -0.07 1.98 -6.30 -1.26 -0.80 118.70 118.14 1sau s GLU 5 Ca 0.02 0.02 -0.01 0.00 -2.50 0.00 0.00 54.97 52.50 1sau s GLU 5 Cb -0.14 -3.60 0.03 0.00 0.00 0.00 0.00 34.13 30.42 1sau s GLU 5 CO -0.07 -0.14 -0.01 0.08 0.02 0.00 0.00 175.26 175.15 1sau s VAL 6 N 1.63 0.42 -1.54 3.70 1.01 -0.43 -4.84 120.40 120.35 1sau s VAL 6 Ca 0.14 0.07 -0.11 0.00 0.00 0.00 0.00 61.98 62.08 1sau s VAL 6 Cb -0.15 -0.55 0.08 0.00 0.00 0.00 0.00 36.38 35.76 1sau s VAL 6 CO 0.08 0.26 0.75 0.29 0.00 0.00 0.00 175.10 176.48 1sau n LYS 7 N 4.94 -4.08 -0.03 2.72 5.02 -1.26 -1.20 118.16 124.27 1sau n LYS 7 Ca -0.11 0.47 0.00 0.00 -2.02 0.00 0.00 58.31 56.66 1sau n LYS 7 Cb 0.50 -5.08 0.00 0.00 -0.02 0.00 0.00 35.03 30.43 1sau n LYS 7 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1sau n GLY 8 N -1.65 1.90 3.76 0.72 0.00 -1.26 -5.02 105.19 103.64 1sau n GLY 8 Ca -0.07 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.59 1sau n GLY 8 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sau s LYS 9 N -0.35 4.10 -0.63 1.61 1.02 -0.34 -5.04 119.74 120.10 1sau s LYS 9 Ca 0.00 -0.00 -0.19 0.00 0.02 0.00 0.00 55.97 55.80 1sau s LYS 9 Cb 0.00 -3.38 0.10 0.00 -0.52 0.00 0.00 37.83 34.04 1sau s LYS 9 CO 0.00 0.37 0.78 0.15 -0.92 0.00 0.00 175.35 175.72 1sau s LYS 10 N 0.11 3.10 0.01 1.68 1.02 -1.26 -1.32 119.74 123.08 1sau s LYS 10 Ca 0.14 -1.30 -0.11 0.00 0.02 0.00 0.00 55.97 54.72 1sau s LYS 10 Cb -0.13 -4.30 -0.05 0.00 -0.52 0.00 0.00 37.83 32.83 1sau s LYS 10 CO 0.03 -1.60 0.35 -0.51 -0.92 0.00 0.00 175.35 172.70 1sau s LEU 11 N 2.86 4.42 -0.07 3.17 1.43 0.02 -4.89 118.68 125.62 1sau s LEU 11 Ca 0.15 0.80 -0.25 0.00 -1.03 0.00 0.00 54.13 53.80 1sau s LEU 11 Cb -0.21 -2.63 -0.03 0.00 0.03 0.00 0.00 46.19 43.34 1sau s LEU 11 CO 0.06 0.29 0.79 -0.60 0.23 0.00 0.00 176.35 177.11 1sau s ARG 12 N -1.38 4.44 0.16 1.70 3.52 -1.26 -0.51 118.95 125.63 1sau s ARG 12 Ca 0.25 1.03 0.07 0.00 -0.13 0.00 0.00 55.73 56.95 1sau s ARG 12 Cb -0.15 -3.47 -0.04 0.00 -1.56 0.00 0.00 34.95 29.73 1sau s ARG 12 CO 0.14 -0.03 -0.00 -0.51 -0.81 0.00 0.00 175.30 174.08 1sau s LEU 13 N 1.09 3.33 0.94 -0.88 1.43 0.15 -0.58 118.68 124.16 1sau s LEU 13 Ca 0.41 -0.37 -0.13 0.00 -1.03 0.00 0.00 54.13 53.01 1sau s LEU 13 Cb -0.18 -2.00 0.21 0.00 0.03 0.00 0.00 46.19 44.25 1sau s LEU 13 CO 0.19 0.10 1.28 1.51 0.23 0.00 0.00 176.35 179.67 1sau s ASP 14 N -2.86 3.14 0.00 2.29 1.47 0.05 -1.47 116.67 119.29 1sau s ASP 14 Ca 0.27 0.03 0.25 0.00 1.18 0.00 0.00 52.55 54.29 1sau s ASP 14 Cb -0.10 -0.06 1.36 0.00 -0.34 0.00 0.00 42.92 43.78 1sau s ASP 14 CO 0.18 -2.70 1.85 -0.62 0.68 0.00 0.00 175.17 174.57 1sau n GLU 15 N -3.65 0.53 0.00 2.11 1.02 -1.26 -1.31 120.64 118.08 1sau n GLU 15 Ca 0.17 0.03 0.12 0.00 -0.02 0.00 0.00 57.16 57.46 1sau n GLU 15 Cb 0.59 -1.50 0.12 0.00 -0.02 0.00 0.00 31.44 30.63 1sau n GLU 15 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1sau n ASP 16 N -1.18 2.79 0.00 1.62 8.00 -1.26 -4.98 116.55 121.54 1sau n ASP 16 Ca 0.15 -1.91 0.00 0.00 0.71 0.00 0.00 54.79 53.74 1sau n ASP 16 Cb 0.15 0.05 0.00 0.00 -0.02 0.00 0.00 41.12 41.31 1sau n ASP 16 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1sau n GLY 17 N 1.35 0.75 3.78 0.44 0.00 -0.43 -4.98 105.19 106.10 1sau n GLY 17 Ca 0.14 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.77 1sau n GLY 17 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1sau s PHE 18 N -2.33 3.83 -0.41 1.61 0.40 -1.26 -4.77 117.98 115.06 1sau s PHE 18 Ca 0.00 1.64 -0.29 0.00 -0.60 0.00 0.00 56.93 57.68 1sau s PHE 18 Cb 0.00 -2.78 0.00 0.00 0.51 0.00 0.00 43.02 40.75 1sau s PHE 18 CO 0.00 0.43 1.53 -1.17 0.70 0.00 0.00 175.22 176.71 1sau s LEU 19 N -1.46 3.54 0.15 -0.37 2.96 -1.24 -0.77 118.68 121.48 1sau s LEU 19 Ca 0.40 0.89 -0.03 0.00 -0.22 0.00 0.00 54.13 55.17 1sau s LEU 19 Cb -0.21 -3.46 -0.04 0.00 0.50 0.00 0.00 46.19 42.98 1sau s LEU 19 CO 0.25 -1.56 1.35 1.56 -1.32 0.00 0.00 176.35 176.64 1sau h GLN 20 N 11.45 0.40 -2.58 1.98 1.08 -1.12 -3.24 115.11 123.08 1sau h GLN 20 Ca -0.29 -0.39 -0.48 0.00 -1.45 0.00 0.00 58.65 56.03 1sau h GLN 20 Cb 1.12 0.10 -0.02 0.00 -0.05 0.00 0.00 27.48 28.64 1sau h GLN 20 CO 1.08 1.05 2.11 -0.25 -0.95 0.00 0.00 178.83 181.87 1sau n ASP 21 N -3.78 7.35 0.27 1.46 8.00 -1.22 -4.73 116.55 123.91 1sau n ASP 21 Ca -0.06 -2.57 0.11 0.00 0.71 0.00 0.00 54.79 52.98 1sau n ASP 21 Cb 0.79 -1.49 0.74 0.00 -0.02 0.00 0.00 41.12 41.13 1sau n ASP 21 CO 0.00 0.00 0.00 4.11 -0.39 0.00 0.00 177.20 180.92 1sau h TRP 22 N 4.17 0.00 0.00 1.24 5.08 -1.80 -0.36 115.95 124.28 1sau h TRP 22 Ca 0.60 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.57 1sau h TRP 22 Cb 0.77 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.93 1sau h TRP 22 CO 1.83 0.01 0.00 -0.85 -1.28 0.00 0.00 178.44 178.15 1sau n GLU 23 N -4.25 0.10 0.00 0.12 0.00 -1.26 -2.20 120.64 113.14 1sau n GLU 23 Ca -0.03 0.36 0.14 0.00 0.00 0.00 0.00 57.16 57.63 1sau n GLU 23 Cb 0.10 -1.69 0.52 0.00 0.00 0.00 0.00 31.44 30.36 1sau n GLU 23 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 1sau n GLU 24 N -1.87 1.46 -2.05 3.44 -0.58 -0.15 -4.96 120.64 115.93 1sau n GLU 24 Ca 0.02 -0.82 -0.38 0.00 -0.42 0.00 0.00 57.16 55.56 1sau n GLU 24 Cb 0.18 -1.48 0.01 0.00 -0.57 0.00 0.00 31.44 29.58 1sau n GLU 24 CO 0.00 0.00 0.00 -0.46 -0.48 0.00 0.00 177.13 176.19 1sau s TRP 25 N -2.10 2.61 0.32 -0.32 -0.00 -0.94 -4.92 118.94 113.59 1sau s TRP 25 Ca 0.36 1.47 -0.09 0.00 -0.00 0.00 0.00 56.10 57.83 1sau s TRP 25 Cb 0.21 -3.56 0.04 0.00 -0.00 0.00 0.00 33.47 30.15 1sau s TRP 25 CO 0.37 -2.12 0.59 -0.40 -0.00 0.00 0.00 176.95 175.40 1sau n ASP 26 N -0.74 -1.70 0.21 5.86 5.68 -1.26 -5.00 116.55 119.60 1sau n ASP 26 Ca 0.09 -2.42 0.05 0.00 -0.50 0.00 0.00 54.79 52.00 1sau n ASP 26 Cb 0.47 2.90 0.47 0.00 -1.14 0.00 0.00 41.12 43.82 1sau n ASP 26 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 1sau h GLU 27 N 0.00 0.00 -0.12 0.11 5.08 -1.99 -0.46 114.58 117.21 1sau h GLU 27 Ca -0.27 -0.00 -0.18 0.00 -1.00 0.00 0.00 59.36 57.91 1sau h GLU 27 Cb 1.03 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.28 1sau h GLU 27 CO 0.34 0.22 -0.68 0.93 -1.00 0.00 0.00 179.01 178.83 1sau h GLU 28 N 0.00 0.49 -0.72 2.33 3.07 -1.99 -2.14 114.58 115.62 1sau h GLU 28 Ca -0.00 -0.37 -0.04 0.00 -0.50 0.00 0.00 59.36 58.45 1sau h GLU 28 Cb 0.39 0.07 -0.03 0.00 -0.84 0.00 0.00 28.75 28.33 1sau h GLU 28 CO 0.03 0.99 0.30 0.28 -1.40 0.00 0.00 179.01 179.21 1sau h VAL 29 N 0.35 1.25 -0.54 3.13 2.07 -1.71 -1.94 116.25 118.86 1sau h VAL 29 Ca -0.02 -0.77 0.05 0.00 0.82 0.00 0.00 66.70 66.78 1sau h VAL 29 Cb 1.25 0.40 -0.05 0.00 -1.52 0.00 0.00 31.29 31.37 1sau h VAL 29 CO 0.12 0.31 0.27 0.00 0.02 0.00 0.00 177.57 178.30 1sau h ALA 30 N 1.14 0.70 -0.61 1.67 0.00 -0.95 -0.06 119.26 121.15 1sau h ALA 30 Ca 0.24 0.02 0.02 0.00 0.00 0.00 0.00 54.91 55.20 1sau h ALA 30 Cb 0.20 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.88 1sau h ALA 30 CO -0.02 -0.07 0.39 1.49 0.00 0.00 0.00 179.25 181.03 1sau h GLU 31 N 0.53 0.75 -0.61 0.00 4.57 -1.15 -0.09 114.58 118.57 1sau h GLU 31 Ca 0.24 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.38 1sau h GLU 31 Cb 0.16 -0.17 -0.03 0.00 -0.16 0.00 0.00 28.75 28.55 1sau h GLU 31 CO -0.17 0.49 0.40 0.00 -1.18 0.00 0.00 179.01 178.55 1sau h ALA 32 N 1.25 0.78 -0.66 2.92 0.00 -0.67 -1.83 119.26 121.05 1sau h ALA 32 Ca 0.24 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 55.05 1sau h ALA 32 Cb -0.02 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.49 1sau h ALA 32 CO -0.08 0.22 0.22 -0.07 0.00 0.00 0.00 179.25 179.54 1sau h LEU 33 N 0.83 0.95 -1.72 0.00 3.38 -0.72 -2.27 115.31 115.76 1sau h LEU 33 Ca 0.22 -0.20 -0.03 0.00 0.09 0.00 0.00 57.88 57.96 1sau h LEU 33 Cb -0.08 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.42 1sau h LEU 33 CO -0.05 0.89 -0.16 0.00 0.09 0.00 0.00 178.44 179.22 1sau h ALA 34 N 1.09 1.69 -0.50 1.53 0.00 -0.49 -2.36 119.26 120.22 1sau h ALA 34 Ca 0.21 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1sau h ALA 34 Cb 0.27 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1sau h ALA 34 CO -0.01 0.20 0.00 1.63 0.00 0.00 0.00 179.25 181.07 1sau n LYS 35 N -4.27 2.58 -2.67 0.00 4.76 -0.74 -1.78 118.16 116.04 1sau n LYS 35 Ca -0.02 -2.41 -0.42 0.00 -2.87 0.00 0.00 58.31 52.59 1sau n LYS 35 Cb 0.23 -1.54 -0.03 0.00 -1.84 0.00 0.00 35.03 31.85 1sau n LYS 35 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 1sau s ASP 36 N -1.33 6.50 0.00 4.39 -1.08 -0.88 -4.83 116.67 119.44 1sau s ASP 36 Ca 0.42 -1.52 0.16 0.00 -0.52 0.00 0.00 52.55 51.09 1sau s ASP 36 Cb 0.24 -2.52 0.79 0.00 -1.46 0.00 0.00 42.92 39.97 1sau s ASP 36 CO 0.32 -1.41 1.48 0.35 0.52 0.00 0.00 175.17 176.43 1sau n THR 37 N 6.45 0.60 0.27 1.71 -2.24 -1.26 -1.55 114.28 118.26 1sau n THR 37 Ca 0.27 0.15 0.15 0.00 -2.27 0.00 0.00 64.05 62.35 1sau n THR 37 Cb 0.50 -0.88 0.77 0.00 -2.10 0.00 0.00 70.33 68.62 1sau n THR 37 CO 0.00 0.00 0.00 0.03 -0.57 0.00 0.00 175.07 174.53 1sau h ARG 38 N 0.00 0.00 0.00 -0.78 3.08 -1.98 -3.29 114.38 111.41 1sau h ARG 38 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1sau h ARG 38 Cb 0.18 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.23 1sau h ARG 38 CO 0.00 0.09 0.00 1.19 -1.07 0.00 0.00 179.97 180.18 1sau n PHE 39 N -3.47 0.00 -3.67 3.04 3.01 -0.59 -5.02 117.46 110.75 1sau n PHE 39 Ca -0.01 -0.16 -0.12 0.00 1.01 0.00 0.00 57.45 58.16 1sau n PHE 39 Cb 0.24 -0.02 -0.08 0.00 -0.01 0.00 0.00 39.48 39.61 1sau n PHE 39 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 1sau s SER 40 N -0.33 -0.66 0.00 4.37 0.15 -1.15 -5.02 113.70 111.06 1sau s SER 40 Ca 0.00 1.21 0.27 0.00 0.70 0.00 0.00 55.95 58.12 1sau s SER 40 Cb 0.00 1.18 1.09 0.00 -1.71 0.00 0.00 66.02 66.58 1sau s SER 40 CO 0.00 -0.21 1.76 -0.81 1.20 0.00 0.00 173.24 175.18 1sau n PRO 41 N 3.22 1.57 -3.38 5.44 -0.04 -1.26 -4.30 135.00 136.26 1sau n PRO 41 Ca -0.16 -0.84 -0.26 0.00 -0.04 0.00 0.00 63.50 62.20 1sau n PRO 41 Cb 0.56 -1.46 -0.09 0.00 -0.04 0.00 0.00 33.50 32.48 1sau n PRO 41 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 1sau n GLN 42 N 0.03 0.79 -1.48 0.54 7.27 -1.26 -5.12 117.38 118.16 1sau n GLN 42 Ca 0.19 -3.48 -0.37 0.00 0.07 0.00 0.00 57.00 53.41 1sau n GLN 42 Cb 0.31 -1.63 0.07 0.00 2.41 0.00 0.00 30.24 31.40 1sau n GLN 42 CO 0.00 0.00 0.00 -0.35 0.07 0.00 0.00 177.06 176.78 1sau n PRO 43 N 2.01 0.67 -4.39 3.69 -0.04 -1.26 -4.87 135.00 130.81 1sau n PRO 43 Ca 0.26 0.28 -0.34 0.00 -0.04 0.00 0.00 63.50 63.65 1sau n PRO 43 Cb 0.48 -2.18 -0.14 0.00 -0.04 0.00 0.00 33.50 31.63 1sau n PRO 43 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1sau s ILE 44 N -1.68 3.38 -0.69 0.52 1.01 -0.73 -5.01 121.20 117.99 1sau s ILE 44 Ca 0.75 -0.53 -0.25 0.00 0.00 0.00 0.00 60.65 60.61 1sau s ILE 44 Cb -0.38 -2.47 0.04 0.00 0.01 0.00 0.00 42.46 39.66 1sau s ILE 44 CO 0.49 0.48 1.15 -0.70 0.00 0.00 0.00 174.94 176.36 1sau s GLU 45 N 0.72 3.20 0.26 2.79 2.12 -1.26 -4.58 118.70 121.94 1sau s GLU 45 Ca -0.04 -0.40 -0.29 0.00 0.36 0.00 0.00 54.97 54.60 1sau s GLU 45 Cb -0.15 -4.18 -0.09 0.00 0.26 0.00 0.00 34.13 29.97 1sau s GLU 45 CO 0.02 -1.97 1.27 -0.51 -0.54 0.00 0.00 175.26 173.53 1sau s LEU 46 N 5.04 4.44 0.43 2.70 1.43 -1.26 -5.03 118.68 126.44 1sau s LEU 46 Ca 0.31 2.49 0.05 0.00 -1.03 0.00 0.00 54.13 55.94 1sau s LEU 46 Cb -0.11 -3.63 -0.06 0.00 0.03 0.00 0.00 46.19 42.43 1sau s LEU 46 CO 0.14 -0.46 0.02 0.42 0.23 0.00 0.00 176.35 176.70 1sau s THR 47 N -0.58 1.62 0.35 5.49 -4.23 -1.26 -5.00 115.64 112.03 1sau s THR 47 Ca 0.52 -2.00 0.10 0.00 -1.18 0.00 0.00 61.69 59.12 1sau s THR 47 Cb -0.37 -2.70 0.33 0.00 1.34 0.00 0.00 72.50 71.10 1sau s THR 47 CO 0.44 0.00 1.85 1.05 -0.54 0.00 0.00 174.62 177.42 1sau h GLU 48 N 1.67 0.65 -0.31 3.99 4.11 -1.99 -1.38 114.58 121.32 1sau h GLU 48 Ca -0.43 -0.04 -0.04 0.00 0.07 0.00 0.00 59.36 58.92 1sau h GLU 48 Cb 1.27 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 30.36 1sau h GLU 48 CO 0.77 0.43 0.03 0.93 0.07 0.00 0.00 179.01 181.24 1sau h GLU 49 N 0.67 0.53 -0.59 1.06 5.08 -1.98 -1.53 114.58 117.82 1sau h GLU 49 Ca 0.48 -0.15 0.04 0.00 -1.00 0.00 0.00 59.36 58.73 1sau h GLU 49 Cb 0.83 -0.06 -0.05 0.00 0.50 0.00 0.00 28.75 29.98 1sau h GLU 49 CO -0.24 0.64 0.33 0.45 -1.00 0.00 0.00 179.01 179.20 1sau h HIS 50 N 0.34 0.62 -0.23 4.33 3.86 -1.76 -2.79 115.15 119.53 1sau h HIS 50 Ca 0.09 0.02 -0.10 0.00 -1.16 0.00 0.00 60.37 59.22 1sau h HIS 50 Cb 0.38 -0.19 -0.01 0.00 1.06 0.00 0.00 27.41 28.64 1sau h HIS 50 CO 0.03 0.32 -0.29 -1.49 0.86 0.00 0.00 177.93 177.35 1sau h TRP 51 N 0.64 0.51 -0.85 2.45 4.06 -0.98 0.08 115.95 121.87 1sau h TRP 51 Ca 0.26 -0.12 0.01 0.00 2.06 0.00 0.00 58.89 61.09 1sau h TRP 51 Cb 0.11 -0.12 -0.04 0.00 -1.00 0.00 0.00 29.16 28.11 1sau h TRP 51 CO -0.08 0.70 0.56 0.87 -3.56 0.00 0.00 178.44 176.94 1sau h LYS 52 N 0.40 1.12 -0.22 0.49 1.57 -1.03 0.41 116.57 119.30 1sau h LYS 52 Ca 0.05 -0.07 -0.06 0.00 -1.87 0.00 0.00 60.65 58.70 1sau h LYS 52 Cb 0.72 -0.25 -0.01 0.00 0.08 0.00 0.00 32.23 32.77 1sau h LYS 52 CO 0.06 0.75 -0.09 0.82 -0.57 0.00 0.00 179.45 180.42 1sau h ILE 53 N 1.15 1.30 -0.57 1.86 2.04 -1.18 -2.54 117.51 119.58 1sau h ILE 53 Ca 0.31 -1.13 0.00 0.00 1.00 0.00 0.00 64.86 65.05 1sau h ILE 53 Cb -0.13 1.57 -0.03 0.00 -0.74 0.00 0.00 36.82 37.50 1sau h ILE 53 CO -0.07 0.35 0.37 0.40 0.00 0.00 0.00 178.15 179.20 1sau h ILE 54 N 0.17 1.15 -0.65 -0.67 2.04 -0.76 -0.47 117.51 118.32 1sau h ILE 54 Ca 0.05 -0.27 -0.03 0.00 1.00 0.00 0.00 64.86 65.61 1sau h ILE 54 Cb 0.57 0.32 -0.03 0.00 -0.74 0.00 0.00 36.82 36.93 1sau h ILE 54 CO 0.03 0.14 0.30 0.03 0.00 0.00 0.00 178.15 178.66 1sau h ARG 55 N 0.77 0.94 -0.20 2.37 3.08 -0.91 -0.17 114.38 120.26 1sau h ARG 55 Ca 0.21 -0.14 -0.00 0.00 0.07 0.00 0.00 59.98 60.11 1sau h ARG 55 Cb -0.08 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 29.79 1sau h ARG 55 CO -0.04 0.76 0.11 -0.92 -1.07 0.00 0.00 179.97 178.80 1sau h TYR 56 N 0.90 0.27 -0.32 3.04 3.20 -1.13 -0.59 116.97 122.35 1sau h TYR 56 Ca 0.22 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.07 1sau h TYR 56 Cb 0.13 -0.09 -0.01 0.00 1.54 0.00 0.00 36.73 38.30 1sau h TYR 56 CO 0.00 0.25 0.15 -0.07 -1.64 0.00 0.00 178.16 176.85 1sau h LEU 57 N 0.21 0.42 -0.23 2.82 3.38 -0.84 -0.05 115.31 121.02 1sau h LEU 57 Ca 0.07 -0.13 -0.00 0.00 0.09 0.00 0.00 57.88 57.91 1sau h LEU 57 Cb 0.07 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 1sau h LEU 57 CO -0.01 0.43 0.13 -0.09 0.09 0.00 0.00 178.44 178.99 1sau h ARG 58 N 0.38 0.31 -0.92 1.13 9.65 -0.94 -1.05 114.38 122.94 1sau h ARG 58 Ca 0.11 -0.03 -0.00 0.00 -1.10 0.00 0.00 59.98 58.96 1sau h ARG 58 Cb 0.12 -0.06 -0.04 0.00 -1.39 0.00 0.00 29.97 28.59 1sau h ARG 58 CO -0.01 0.26 0.56 0.22 2.80 0.00 0.00 179.97 183.80 1sau h ASP 59 N 0.28 1.09 -0.14 -3.80 3.58 -0.88 -0.72 116.42 115.83 1sau h ASP 59 Ca 0.08 -0.06 -0.01 0.00 0.42 0.00 0.00 57.03 57.47 1sau h ASP 59 Cb 0.03 -0.28 -0.01 0.00 1.72 0.00 0.00 39.33 40.80 1sau h ASP 59 CO -0.01 0.83 0.06 0.22 -2.88 0.00 0.00 179.24 177.46 1sau h TYR 60 N 1.26 0.20 -0.64 0.28 3.20 -0.77 -1.29 116.97 119.21 1sau h TYR 60 Ca 0.33 -0.01 0.01 0.00 3.14 0.00 0.00 58.73 62.20 1sau h TYR 60 Cb -0.07 -0.06 -0.03 0.00 1.54 0.00 0.00 36.73 38.10 1sau h TYR 60 CO 0.00 0.25 0.42 0.35 -1.64 0.00 0.00 178.16 177.54 1sau h PHE 61 N 0.09 0.79 -0.66 -3.82 3.57 -0.80 -0.68 116.94 115.43 1sau h PHE 61 Ca 0.05 0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.49 1sau h PHE 61 Cb 0.13 -0.27 -0.03 0.00 2.79 0.00 0.00 35.95 38.58 1sau h PHE 61 CO -0.03 0.49 0.13 0.82 -2.23 0.00 0.00 178.31 177.49 1sau h ILE 62 N 0.85 1.26 -0.06 1.41 1.08 -0.95 0.42 117.51 121.51 1sau h ILE 62 Ca 0.24 -0.99 -0.16 0.00 -0.39 0.00 0.00 64.86 63.55 1sau h ILE 62 Cb -0.08 0.61 -0.01 0.00 -3.07 0.00 0.00 36.82 34.28 1sau h ILE 62 CO -0.06 0.37 -0.68 0.50 -0.69 0.00 0.00 178.15 177.60 1sau h LYS 63 N 1.01 0.26 0.00 2.37 3.64 -0.92 -3.37 116.57 119.55 1sau h LYS 63 Ca 0.20 -0.20 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1sau h LYS 63 Cb 0.40 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.26 1sau h LYS 63 CO 0.01 0.84 0.00 0.66 -2.27 0.00 0.00 179.45 178.69 1sau n TYR 64 N -3.82 0.00 -0.25 1.91 0.53 -0.29 -5.02 117.16 110.22 1sau n TYR 64 Ca -0.03 -0.19 0.00 0.00 -1.02 0.00 0.00 57.90 56.66 1sau n TYR 64 Cb 0.67 -0.02 0.00 0.00 -1.03 0.00 0.00 39.34 38.96 1sau n TYR 64 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 1sau n GLY 65 N -0.19 1.46 3.15 2.72 0.00 0.15 -4.95 105.19 107.53 1sau n GLY 65 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 1sau n GLY 65 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sau s VAL 66 N -2.42 0.52 0.53 1.61 0.11 -1.25 -5.00 120.40 114.50 1sau s VAL 66 Ca 0.00 -1.90 -0.22 0.00 -2.93 0.00 0.00 61.98 56.94 1sau s VAL 66 Cb 0.00 -1.66 -0.05 0.00 -1.53 0.00 0.00 36.38 33.13 1sau s VAL 66 CO 0.00 -0.88 1.30 0.00 -3.33 0.00 0.00 175.10 172.18 1sau s ALA 67 N -3.74 2.81 0.58 1.54 0.00 -1.25 -3.76 121.76 117.95 1sau s ALA 67 Ca 0.11 1.21 -0.16 0.00 0.00 0.00 0.00 51.96 53.12 1sau s ALA 67 Cb 0.06 -3.51 -0.04 0.00 0.00 0.00 0.00 23.12 19.63 1sau s ALA 67 CO -0.06 -1.20 1.04 -1.25 0.00 0.00 0.00 175.76 174.30 1sau s PRO 68 N -2.92 3.43 0.77 0.00 0.04 -1.26 -4.44 135.00 130.61 1sau s PRO 68 Ca 0.71 1.14 -0.13 0.00 0.04 0.00 0.00 61.00 62.77 1sau s PRO 68 Cb -0.37 -2.05 0.06 0.00 0.04 0.00 0.00 34.50 32.18 1sau s PRO 68 CO 0.43 -0.72 1.13 -1.25 0.04 0.00 0.00 177.00 176.64 1sau s PRO 69 N -4.12 2.09 0.33 0.56 0.04 -1.24 -4.07 135.00 128.59 1sau s PRO 69 Ca 0.62 1.44 0.05 0.00 0.04 0.00 0.00 61.00 63.16 1sau s PRO 69 Cb -0.15 -1.86 0.70 0.00 0.04 0.00 0.00 34.50 33.23 1sau s PRO 69 CO 0.37 -1.81 1.89 0.28 0.04 0.00 0.00 177.00 177.76 1sau h VAL 70 N -0.81 0.93 -0.69 -0.36 2.07 -1.23 -0.99 116.25 115.17 1sau h VAL 70 Ca -0.45 -0.28 0.15 0.00 0.82 0.00 0.00 66.70 66.94 1sau h VAL 70 Cb 1.26 0.03 -0.12 0.00 -1.52 0.00 0.00 31.29 30.93 1sau h VAL 70 CO 0.49 0.15 0.00 -0.09 0.02 0.00 0.00 177.57 178.15 1sau h ARG 71 N 0.83 0.11 -0.21 1.57 2.43 -1.91 0.10 114.38 117.29 1sau h ARG 71 Ca 0.42 -0.01 -0.19 0.00 -0.81 0.00 0.00 59.98 59.40 1sau h ARG 71 Cb 0.50 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.02 1sau h ARG 71 CO -0.19 0.07 -0.61 0.52 -1.51 0.00 0.00 179.97 178.25 1sau h MET 72 N 0.11 0.73 -0.55 0.20 2.86 -1.54 -1.36 114.93 115.38 1sau h MET 72 Ca 0.37 -0.50 0.02 0.00 -2.06 0.00 0.00 59.70 57.54 1sau h MET 72 Cb 0.63 0.07 -0.04 0.00 0.06 0.00 0.00 31.60 32.33 1sau h MET 72 CO -0.60 1.12 0.33 1.25 1.06 0.00 0.00 176.91 180.07 1sau h LEU 73 N 0.54 0.54 -0.53 1.22 5.85 -1.05 0.07 115.31 121.95 1sau h LEU 73 Ca -0.01 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.70 1sau h LEU 73 Cb 1.20 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 42.10 1sau h LEU 73 CO 0.13 0.38 0.25 0.58 -0.34 0.00 0.00 178.44 179.43 1sau h VAL 74 N 0.66 1.20 -0.12 1.05 2.07 -0.92 -0.08 116.25 120.11 1sau h VAL 74 Ca 0.22 -0.58 0.03 0.00 0.82 0.00 0.00 66.70 67.19 1sau h VAL 74 Cb 0.02 0.60 -0.03 0.00 -1.52 0.00 0.00 31.29 30.35 1sau h VAL 74 CO -0.10 0.23 -0.09 0.50 0.02 0.00 0.00 177.57 178.14 1sau h LYS 75 N 0.72 -0.09 -0.26 1.57 3.64 -0.97 0.32 116.57 121.50 1sau h LYS 75 Ca 0.18 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.57 1sau h LYS 75 Cb 0.13 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 31.96 1sau h LYS 75 CO -0.02 -0.06 0.17 1.25 -2.27 0.00 0.00 179.45 178.51 1sau h HIS 76 N -0.09 0.33 -0.41 1.91 2.76 -0.77 -2.90 115.15 115.98 1sau h HIS 76 Ca 0.08 0.00 0.01 0.00 -2.20 0.00 0.00 60.37 58.26 1sau h HIS 76 Cb 0.20 -0.11 -0.02 0.00 1.55 0.00 0.00 27.41 29.03 1sau h HIS 76 CO -0.21 0.23 0.25 0.00 -1.30 0.00 0.00 177.93 176.90 1sau h LYS 78 N 0.51 0.00 0.00 0.00 1.57 -0.88 0.95 116.57 118.72 1sau h LYS 78 Ca 0.16 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.91 1sau h LYS 78 Cb -0.02 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.29 1sau h LYS 78 CO -0.06 0.00 -0.75 0.87 -0.57 0.00 0.00 179.45 178.94 1sau h LYS 79 N 0.00 0.00 0.00 3.15 1.79 -1.01 -3.29 116.57 117.21 1sau h LYS 79 Ca 0.17 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.64 1sau h LYS 79 Cb 0.71 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.36 1sau h LYS 79 CO -0.00 0.07 -0.26 0.39 -1.08 0.00 0.00 179.45 178.56 1sau n GLU 80 N -2.85 3.33 -0.02 3.15 -0.58 -0.63 -4.95 120.64 118.09 1sau n GLU 80 Ca 0.00 0.00 -0.03 0.00 -0.42 0.00 0.00 57.16 56.72 1sau n GLU 80 Cb 0.59 -0.53 -0.01 0.00 -0.57 0.00 0.00 31.44 30.93 1sau n GLU 80 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 1sau n VAL 81 N -0.53 0.69 -3.60 2.62 0.31 0.29 -5.05 118.33 113.06 1sau n VAL 81 Ca 0.00 0.27 -0.15 0.00 -0.01 0.00 0.00 64.34 64.46 1sau n VAL 81 Cb 0.00 -1.66 -0.07 0.00 -0.91 0.00 0.00 33.84 31.21 1sau n VAL 81 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1sau s ARG 82 N -1.75 0.86 0.53 5.55 1.70 -1.04 -5.05 118.95 119.75 1sau s ARG 82 Ca -0.08 0.75 0.30 0.00 -0.47 0.00 0.00 55.73 56.24 1sau s ARG 82 Cb 0.01 0.42 1.43 0.00 -0.57 0.00 0.00 34.95 36.24 1sau s ARG 82 CO 0.12 -0.16 2.03 -1.00 -1.08 0.00 0.00 175.30 175.22 1sau h PRO 83 N 4.36 0.00 -0.48 3.89 0.13 -1.84 -1.10 132.00 136.96 1sau h PRO 83 Ca -0.28 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 1sau h PRO 83 Cb 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 1sau h PRO 83 CO 0.15 0.10 0.00 -0.40 -0.23 0.00 0.00 178.00 177.62 1sau n ASP 84 N -3.37 2.40 -4.75 1.44 5.75 -1.26 -4.83 116.55 111.94 1sau n ASP 84 Ca -0.01 -2.11 -0.41 0.00 -0.01 0.00 0.00 54.79 52.25 1sau n ASP 84 Cb 0.28 -0.34 -0.02 0.00 -1.03 0.00 0.00 41.12 40.01 1sau n ASP 84 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1sau n ASN 86 N 2.25 -0.69 -0.05 0.00 0.23 -1.26 -4.71 115.26 111.04 1sau n ASN 86 Ca 0.08 -2.06 -0.05 0.00 -0.53 0.00 0.00 54.58 52.02 1sau n ASN 86 Cb 0.38 1.31 0.16 0.00 -2.08 0.00 0.00 39.78 39.56 1sau n ASN 86 CO 0.00 0.00 0.00 -0.07 -0.93 0.00 0.00 177.26 176.26 1sau h LEU 87 N 0.00 0.65 -0.66 -4.53 3.38 -1.99 -1.87 115.31 110.28 1sau h LEU 87 Ca -0.15 -0.20 0.09 0.00 0.09 0.00 0.00 57.88 57.71 1sau h LEU 87 Cb 0.65 -0.18 -0.07 0.00 0.09 0.00 0.00 40.66 41.16 1sau h LEU 87 CO 0.20 0.82 0.32 1.56 0.09 0.00 0.00 178.44 181.43 1sau h GLN 88 N 0.59 0.54 -0.49 1.13 4.20 -1.98 -1.17 115.11 117.93 1sau h GLN 88 Ca 0.10 -0.03 -0.13 0.00 0.06 0.00 0.00 58.65 58.65 1sau h GLN 88 Cb 0.61 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 28.26 1sau h GLN 88 CO 0.04 0.36 -0.20 -0.92 -0.67 0.00 0.00 178.83 177.44 1sau h TYR 89 N 0.55 1.14 -0.95 2.96 3.20 -1.83 -0.22 116.97 121.83 1sau h TYR 89 Ca 0.32 -0.27 0.03 0.00 3.14 0.00 0.00 58.73 61.95 1sau h TYR 89 Cb 0.33 -0.27 -0.05 0.00 1.54 0.00 0.00 36.73 38.28 1sau h TYR 89 CO -0.12 1.10 0.62 0.82 -1.64 0.00 0.00 178.16 178.94 1sau h ILE 90 N 0.86 1.17 0.00 1.81 2.04 -0.98 -1.58 117.51 120.83 1sau h ILE 90 Ca 0.11 -0.41 -0.08 0.00 1.00 0.00 0.00 64.86 65.48 1sau h ILE 90 Cb 0.78 -0.14 -0.01 0.00 -0.74 0.00 0.00 36.82 36.70 1sau h ILE 90 CO 0.06 0.22 -0.40 1.88 0.00 0.00 0.00 178.15 179.92 1sau h TYR 91 N 1.21 0.00 -0.43 1.37 -1.99 -0.89 0.63 116.97 116.87 1sau h TYR 91 Ca 0.37 0.00 -0.04 0.00 2.00 0.00 0.00 58.73 61.06 1sau h TYR 91 Cb -0.02 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 38.70 1sau h TYR 91 CO -0.01 0.40 0.11 -0.22 -0.00 0.00 0.00 178.16 178.44 1sau h LYS 92 N 0.00 0.68 -0.33 4.88 3.64 -0.32 -2.81 116.57 122.32 1sau h LYS 92 Ca -0.00 -0.16 -0.09 0.00 -1.27 0.00 0.00 60.65 59.12 1sau h LYS 92 Cb 0.95 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.67 1sau h LYS 92 CO 0.05 0.68 -0.16 -0.07 -2.27 0.00 0.00 179.45 177.68 1sau h LEU 93 N 0.56 0.71 -7.07 5.20 3.38 -1.07 -3.40 115.31 113.62 1sau h LEU 93 Ca 0.14 -0.41 -0.62 0.00 0.09 0.00 0.00 57.88 57.08 1sau h LEU 93 Cb 0.30 -0.20 -0.40 0.00 0.09 0.00 0.00 40.66 40.45 1sau h LEU 93 CO -0.00 0.96 -0.70 -0.36 0.09 0.00 0.00 178.44 178.43 1sau s PHE 94 N -4.61 2.44 0.44 1.13 0.40 0.19 -5.01 117.98 112.96 1sau s PHE 94 Ca -0.13 -2.72 0.22 0.00 -0.60 0.00 0.00 56.93 53.70 1sau s PHE 94 Cb 0.09 -2.18 1.26 0.00 0.51 0.00 0.00 43.02 42.70 1sau s PHE 94 CO 0.81 -0.75 2.04 -1.00 0.70 0.00 0.00 175.22 177.03 1sau h PRO 95 N 6.46 0.00 -0.10 0.24 0.13 -1.72 0.16 132.00 137.18 1sau h PRO 95 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1sau h PRO 95 Cb 0.90 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.03 1sau h PRO 95 CO 0.56 0.15 0.00 1.04 -0.23 0.00 0.00 178.00 179.52 1sau n GLN 96 N -3.95 1.65 0.00 0.86 6.02 -1.26 -4.97 117.38 115.73 1sau n GLN 96 Ca -0.02 -0.97 0.00 0.00 -0.01 0.00 0.00 57.00 56.00 1sau n GLN 96 Cb 0.24 -1.43 0.00 0.00 1.02 0.00 0.00 30.24 30.07 1sau n GLN 96 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1sau n GLY 97 N 1.13 1.22 0.21 1.08 0.00 0.56 -4.28 105.19 105.11 1sau n GLY 97 Ca 0.17 -2.04 0.01 0.00 0.00 0.00 0.00 46.02 44.17 1sau n GLY 97 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1sau h PRO 98 N 0.00 0.19 0.21 1.61 0.13 -1.88 -1.32 132.00 130.94 1sau h PRO 98 Ca 0.00 -0.07 -0.01 0.00 -0.87 0.00 0.00 66.00 65.05 1sau h PRO 98 Cb 0.00 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 31.12 1sau h PRO 98 CO 0.00 0.46 -0.10 0.00 -0.23 0.00 0.00 178.00 178.13 1sau h ALA 99 N 1.54 -0.28 -0.08 -0.56 0.00 -1.85 -0.26 119.26 117.78 1sau h ALA 99 Ca 0.03 -0.14 -0.15 0.00 0.00 0.00 0.00 54.91 54.64 1sau h ALA 99 Cb 0.59 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 1sau h ALA 99 CO 0.04 -0.28 -0.61 -0.22 0.00 0.00 0.00 179.25 178.18 1sau h LYS 100 N -1.02 0.28 0.00 0.00 1.63 -1.74 -3.28 116.57 112.44 1sau h LYS 100 Ca -0.03 -0.19 -0.03 0.00 -0.85 0.00 0.00 60.65 59.55 1sau h LYS 100 Cb 0.38 0.03 -0.00 0.00 -0.60 0.00 0.00 32.23 32.03 1sau h LYS 100 CO 0.05 0.80 -0.93 -0.25 -3.45 0.00 0.00 179.45 175.67 1sau n ASP 101 N -3.88 1.79 -0.05 4.20 8.00 -0.51 -4.33 116.55 121.77 1sau n ASP 101 Ca -0.03 0.30 -0.12 0.00 0.71 0.00 0.00 54.79 55.66 1sau n ASP 101 Cb 0.62 -0.67 -0.06 0.00 -0.02 0.00 0.00 41.12 40.99 1sau n ASP 101 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1sau h ALA 102 N -0.83 0.22 -0.64 2.24 0.00 -1.30 -0.04 119.26 118.91 1sau h ALA 102 Ca -0.04 -0.18 -0.05 0.00 0.00 0.00 0.00 54.91 54.64 1sau h ALA 102 Cb 0.88 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.57 1sau h ALA 102 CO -0.02 -0.09 0.21 0.00 0.00 0.00 0.00 179.25 179.35 1sau h ARG 104 N 0.93 0.08 -0.00 0.00 2.43 -1.56 -2.51 114.38 113.75 1sau h ARG 104 Ca 0.21 -0.01 -0.07 0.00 -0.81 0.00 0.00 59.98 59.30 1sau h ARG 104 Cb 0.24 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.77 1sau h ARG 104 CO -0.01 0.15 -0.35 0.82 -1.51 0.00 0.00 179.97 179.07 1sau h ILE 105 N -0.00 1.25 0.00 1.20 2.04 -0.77 -1.54 117.51 119.68 1sau h ILE 105 Ca 0.02 -1.19 0.00 0.00 1.00 0.00 0.00 64.86 64.69 1sau h ILE 105 Cb 0.09 1.64 0.00 0.00 -0.74 0.00 0.00 36.82 37.81 1sau h ILE 105 CO -0.00 0.34 0.00 0.00 0.00 0.00 0.00 178.15 178.49 1sau n ALA 106 N -2.47 2.46 -1.37 1.87 0.00 -0.46 -4.40 120.51 116.14 1sau n ALA 106 Ca -0.02 -0.14 -0.03 0.00 0.00 0.00 0.00 53.44 53.25 1sau n ALA 106 Cb 0.39 -1.36 -0.01 0.00 0.00 0.00 0.00 19.45 18.46 1sau n ALA 106 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1sau n GLY 107 N 0.60 0.53 3.80 0.00 0.00 -0.58 -4.74 105.19 104.79 1sau n GLY 107 Ca 0.17 -0.87 -0.35 0.00 0.00 0.00 0.00 46.02 44.96 1sau n GLY 107 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1sau s LEU 108 N -0.82 4.04 0.38 0.99 1.02 -0.96 -4.57 118.68 118.76 1sau s LEU 108 Ca 0.00 1.88 0.25 0.00 0.02 0.00 0.00 54.13 56.29 1sau s LEU 108 Cb 0.00 -4.36 0.66 0.00 0.02 0.00 0.00 46.19 42.52 1sau s LEU 108 CO 0.00 -0.47 1.72 1.55 0.02 0.00 0.00 176.35 179.17 1sau h PRO 109 N 2.19 0.00 -3.15 1.29 0.13 -1.89 -3.28 132.00 127.30 1sau h PRO 109 Ca -0.49 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.57 1sau h PRO 109 Cb 1.20 0.00 -0.16 0.00 0.13 0.00 0.00 31.00 32.18 1sau h PRO 109 CO 0.61 0.00 -0.10 0.15 -0.23 0.00 0.00 178.00 178.43 1sau s LYS 110 N -3.26 0.96 0.00 0.86 -0.14 -1.26 -4.61 119.74 112.29 1sau s LYS 110 Ca 0.07 -0.47 0.11 0.00 -1.36 0.00 0.00 55.97 54.32 1sau s LYS 110 Cb 0.08 0.42 0.37 0.00 -1.68 0.00 0.00 37.83 37.02 1sau s LYS 110 CO 0.61 -0.34 1.29 -0.35 -0.76 0.00 0.00 175.35 175.80 1sau n PRO 111 N 0.30 1.64 -1.64 -1.68 -0.04 -1.26 -4.81 135.00 127.50 1sau n PRO 111 Ca -0.18 -0.99 -0.48 0.00 -0.04 0.00 0.00 63.50 61.81 1sau n PRO 111 Cb 0.61 -1.25 -0.05 0.00 -0.04 0.00 0.00 33.50 32.77 1sau n PRO 111 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 1sau n THR 112 N 0.28 0.04 0.00 0.52 -1.04 -1.26 -1.45 114.28 111.37 1sau n THR 112 Ca 0.11 -0.01 0.00 0.00 -2.04 0.00 0.00 64.05 62.11 1sau n THR 112 Cb 0.25 -1.31 0.00 0.00 -1.82 0.00 0.00 70.33 67.45 1sau n THR 112 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1sau n GLY 113 N 3.19 2.15 3.48 3.41 0.00 -1.26 -3.75 105.19 112.42 1sau n GLY 113 Ca 0.18 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.76 1sau n GLY 113 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32