#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ypa s LYS 21 N 0.00 4.73 0.00 2.12 2.20 -1.26 -4.94 119.74 122.59 1ypa s LYS 21 Ca 0.00 1.58 0.00 0.00 -0.36 0.00 0.00 55.97 57.19 1ypa s LYS 21 Cb 0.00 -3.29 0.00 0.00 -1.51 0.00 0.00 37.83 33.03 1ypa s LYS 21 CO 0.00 0.31 0.56 0.25 -0.36 0.00 0.00 175.35 176.11 1ypa n THR 22 N 1.92 0.26 -3.91 3.43 -2.24 -1.26 -4.99 114.28 107.49 1ypa n THR 22 Ca 0.00 -0.31 -0.11 0.00 -2.27 0.00 0.00 64.05 61.37 1ypa n THR 22 Cb 0.47 1.02 -0.11 0.00 -2.10 0.00 0.00 70.33 69.61 1ypa n THR 22 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 1ypa s GLU 23 N -0.26 0.30 -0.50 -0.78 -1.05 -1.26 -0.97 118.70 114.17 1ypa s GLU 23 Ca 0.00 -0.34 0.07 0.00 -0.15 0.00 0.00 54.97 54.55 1ypa s GLU 23 Cb 0.00 0.12 0.26 0.00 -0.44 0.00 0.00 34.13 34.06 1ypa s GLU 23 CO 0.00 -0.06 0.64 0.91 0.95 0.00 0.00 175.26 177.70 1ypa n TRP 24 N 1.97 1.53 0.04 4.83 8.01 0.07 -4.94 117.44 128.96 1ypa n TRP 24 Ca -0.20 -3.84 0.16 0.00 -1.31 0.00 0.00 57.50 52.31 1ypa n TRP 24 Cb 0.56 -0.45 0.65 0.00 -2.01 0.00 0.00 31.31 30.06 1ypa n TRP 24 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 177.69 175.68 1ypa h PRO 25 N 4.00 0.07 0.00 -0.99 0.13 -1.94 -1.21 132.00 132.05 1ypa h PRO 25 Ca 0.13 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 1ypa h PRO 25 Cb 0.78 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 31.89 1ypa h PRO 25 CO 0.64 0.05 0.00 1.05 -0.23 0.00 0.00 178.00 179.50 1ypa h GLU 26 N 0.07 0.00 -0.23 0.86 9.09 -1.97 -2.37 114.58 120.03 1ypa h GLU 26 Ca 0.20 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.61 1ypa h GLU 26 Cb 0.71 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.81 1ypa h GLU 26 CO -0.02 0.00 0.00 1.28 0.05 0.00 0.00 179.01 180.32 1ypa n LEU 27 N -2.34 2.36 -4.73 3.06 4.77 -0.46 -4.92 117.00 114.75 1ypa n LEU 27 Ca 0.00 -0.98 -0.42 0.00 -0.03 0.00 0.00 56.01 54.59 1ypa n LEU 27 Cb 0.14 -0.14 -0.03 0.00 -2.33 0.00 0.00 43.42 41.06 1ypa n LEU 27 CO 0.16 0.49 1.15 -0.69 -1.33 0.00 0.00 177.39 177.16 1ypa s VAL 28 N -1.72 2.81 0.00 4.08 1.01 -0.90 -1.82 120.40 123.87 1ypa s VAL 28 Ca 0.34 0.61 0.00 0.00 0.00 0.00 0.00 61.98 62.93 1ypa s VAL 28 Cb 0.20 -3.39 0.00 0.00 0.00 0.00 0.00 36.38 33.19 1ypa s VAL 28 CO 0.29 0.06 0.00 0.61 0.00 0.00 0.00 175.10 176.06 1ypa n GLY 29 N 3.20 0.99 3.89 4.51 0.00 0.75 -4.98 105.19 113.55 1ypa n GLY 29 Ca 0.11 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.84 1ypa n GLY 29 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ypa s LYS 30 N -0.57 3.67 0.62 1.61 -0.14 -0.75 -4.61 119.74 119.56 1ypa s LYS 30 Ca 0.00 0.40 -0.15 0.00 -1.36 0.00 0.00 55.97 54.86 1ypa s LYS 30 Cb 0.00 -2.35 -0.02 0.00 -1.68 0.00 0.00 37.83 33.78 1ypa s LYS 30 CO 0.00 -0.17 1.06 0.00 -0.76 0.00 0.00 175.35 175.49 1ypa s ALA 31 N -2.61 2.69 0.16 5.17 0.00 -1.26 0.12 121.76 126.03 1ypa s ALA 31 Ca 0.50 0.35 -0.16 0.00 0.00 0.00 0.00 51.96 52.65 1ypa s ALA 31 Cb -0.10 -3.23 0.08 0.00 0.00 0.00 0.00 23.12 19.86 1ypa s ALA 31 CO 0.39 -0.94 1.71 0.28 0.00 0.00 0.00 175.76 177.21 1ypa h VAL 32 N 0.18 0.77 -0.40 0.00 2.07 -1.94 -1.51 116.25 115.42 1ypa h VAL 32 Ca -0.46 -0.05 0.07 0.00 0.82 0.00 0.00 66.70 67.08 1ypa h VAL 32 Cb 1.22 0.62 -0.06 0.00 -1.52 0.00 0.00 31.29 31.55 1ypa h VAL 32 CO 0.57 0.03 0.04 0.00 0.02 0.00 0.00 177.57 178.22 1ypa h ALA 33 N 1.29 0.40 -0.49 1.67 0.00 -1.92 -0.81 119.26 119.39 1ypa h ALA 33 Ca 0.17 0.10 -0.02 0.00 0.00 0.00 0.00 54.91 55.17 1ypa h ALA 33 Cb 0.22 0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 1ypa h ALA 33 CO -0.26 -0.36 0.24 0.00 0.00 0.00 0.00 179.25 178.87 1ypa h ALA 34 N 1.33 0.63 0.04 0.00 0.00 -1.85 -3.13 119.26 116.28 1ypa h ALA 34 Ca 0.19 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1ypa h ALA 34 Cb 0.26 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 1ypa h ALA 34 CO -0.29 0.18 -0.03 0.00 0.00 0.00 0.00 179.25 179.11 1ypa h ALA 35 N 1.08 -0.07 -0.98 0.00 0.00 -0.61 -2.94 119.26 115.74 1ypa h ALA 35 Ca 0.17 -0.01 0.12 0.00 0.00 0.00 0.00 54.91 55.19 1ypa h ALA 35 Cb 0.10 0.04 -0.08 0.00 0.00 0.00 0.00 17.79 17.85 1ypa h ALA 35 CO -0.02 -0.54 0.62 0.87 0.00 0.00 0.00 179.25 180.18 1ypa h LYS 36 N -0.08 0.93 -0.89 0.00 1.57 -1.19 -1.32 116.57 115.59 1ypa h LYS 36 Ca -0.00 -0.06 0.05 0.00 -1.87 0.00 0.00 60.65 58.78 1ypa h LYS 36 Cb 0.07 -0.21 -0.06 0.00 0.08 0.00 0.00 32.23 32.11 1ypa h LYS 36 CO -0.00 0.61 0.57 -0.22 -0.57 0.00 0.00 179.45 179.84 1ypa h LYS 37 N 0.96 1.03 0.01 3.15 3.64 -1.46 1.00 116.57 124.89 1ypa h LYS 37 Ca 0.49 -0.06 -0.17 0.00 -1.27 0.00 0.00 60.65 59.63 1ypa h LYS 37 Cb 0.51 -0.23 0.01 0.00 -0.41 0.00 0.00 32.23 32.11 1ypa h LYS 37 CO -0.25 0.68 -0.67 0.28 -2.27 0.00 0.00 179.45 177.22 1ypa h VAL 38 N 1.06 1.42 -0.65 2.00 2.07 -1.26 -3.19 116.25 117.69 1ypa h VAL 38 Ca 0.38 -2.13 0.01 0.00 0.82 0.00 0.00 66.70 65.77 1ypa h VAL 38 Cb 0.11 2.62 -0.03 0.00 -1.52 0.00 0.00 31.29 32.47 1ypa h VAL 38 CO -0.15 0.62 0.43 0.40 0.02 0.00 0.00 177.57 178.89 1ypa h ILE 39 N -0.07 1.15 0.00 4.57 2.04 -0.93 -2.28 117.51 121.99 1ypa h ILE 39 Ca -0.09 -0.30 0.00 0.00 1.00 0.00 0.00 64.86 65.48 1ypa h ILE 39 Cb 1.38 0.21 0.00 0.00 -0.74 0.00 0.00 36.82 37.67 1ypa h ILE 39 CO 0.13 0.16 0.00 -0.07 0.00 0.00 0.00 178.15 178.37 1ypa h LEU 40 N 0.86 0.00 -0.05 1.44 3.38 -0.90 0.67 115.31 120.71 1ypa h LEU 40 Ca 0.24 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.99 1ypa h LEU 40 Cb -0.08 0.00 0.02 0.00 0.09 0.00 0.00 40.66 40.69 1ypa h LEU 40 CO -0.06 0.00 -0.85 1.56 0.09 0.00 0.00 178.44 179.17 1ypa h GLN 41 N 0.00 0.66 0.11 1.13 1.08 -1.40 -2.33 115.11 114.36 1ypa h GLN 41 Ca 0.00 -0.65 -0.29 0.00 -1.45 0.00 0.00 58.65 56.27 1ypa h GLN 41 Cb 0.31 0.17 0.02 0.00 -0.05 0.00 0.00 27.48 27.93 1ypa h GLN 41 CO 0.00 1.25 -1.21 -0.44 -0.95 0.00 0.00 178.83 177.48 1ypa h ASP 42 N 0.32 0.73 -2.60 1.46 3.32 -1.03 -3.40 116.42 115.22 1ypa h ASP 42 Ca -0.09 -0.69 -0.60 0.00 0.02 0.00 0.00 57.03 55.67 1ypa h ASP 42 Cb 1.51 -0.23 -0.39 0.00 0.22 0.00 0.00 39.33 40.44 1ypa h ASP 42 CO 0.17 1.51 -0.87 -0.75 -1.72 0.00 0.00 179.24 177.58 1ypa s LYS 43 N -2.94 1.25 0.42 3.56 2.20 0.22 -5.01 119.74 119.44 1ypa s LYS 43 Ca -0.08 -2.33 0.17 0.00 -0.36 0.00 0.00 55.97 53.38 1ypa s LYS 43 Cb 0.06 -1.91 1.08 0.00 -1.51 0.00 0.00 37.83 35.56 1ypa s LYS 43 CO 0.91 -1.34 1.87 -1.00 -0.36 0.00 0.00 175.35 175.43 1ypa h PRO 44 N 5.73 0.39 -0.85 4.03 0.13 -1.62 -1.61 132.00 138.20 1ypa h PRO 44 Ca 0.21 -0.02 -0.37 0.00 -0.87 0.00 0.00 66.00 64.95 1ypa h PRO 44 Cb 0.88 -0.09 -0.22 0.00 0.13 0.00 0.00 31.00 31.70 1ypa h PRO 44 CO 0.45 0.26 0.45 0.39 -0.23 0.00 0.00 178.00 179.32 1ypa n GLU 45 N -4.50 2.90 -2.05 0.86 1.02 -1.26 -4.95 120.64 112.66 1ypa n GLU 45 Ca 0.18 -3.06 -0.39 0.00 -0.02 0.00 0.00 57.16 53.88 1ypa n GLU 45 Cb 0.67 -2.18 0.00 0.00 -0.02 0.00 0.00 31.44 29.91 1ypa n GLU 45 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1ypa s ALA 46 N -3.16 3.13 -0.49 0.62 0.00 -0.61 -4.97 121.76 116.28 1ypa s ALA 46 Ca 0.56 1.19 -0.19 0.00 0.00 0.00 0.00 51.96 53.52 1ypa s ALA 46 Cb 0.46 -3.48 0.05 0.00 0.00 0.00 0.00 23.12 20.15 1ypa s ALA 46 CO 0.12 -0.88 0.59 -1.14 0.00 0.00 0.00 175.76 174.44 1ypa s GLN 47 N -2.44 3.12 -0.27 0.00 2.00 0.70 -5.00 119.66 117.78 1ypa s GLN 47 Ca 0.61 -0.86 -0.09 0.00 -2.00 0.00 0.00 55.36 53.02 1ypa s GLN 47 Cb -0.37 -4.07 -0.04 0.00 0.80 0.00 0.00 33.01 29.34 1ypa s GLN 47 CO 0.46 -1.14 0.12 0.42 -0.50 0.00 0.00 175.29 174.65 1ypa s ILE 48 N 2.51 4.75 -0.01 -2.34 1.01 -1.26 -1.53 121.20 124.33 1ypa s ILE 48 Ca 0.15 -0.04 0.06 0.00 0.00 0.00 0.00 60.65 60.82 1ypa s ILE 48 Cb -0.19 -3.25 -0.03 0.00 0.01 0.00 0.00 42.46 39.00 1ypa s ILE 48 CO 0.12 0.29 -0.18 -0.63 0.00 0.00 0.00 174.94 174.55 1ypa s ILE 49 N 1.68 2.78 -0.14 2.92 1.01 -0.94 -5.02 121.20 123.49 1ypa s ILE 49 Ca 0.07 -0.97 -0.00 0.00 0.00 0.00 0.00 60.65 59.74 1ypa s ILE 49 Cb -0.16 -2.10 -0.01 0.00 0.01 0.00 0.00 42.46 40.20 1ypa s ILE 49 CO 0.07 0.49 -0.13 -0.69 0.00 0.00 0.00 174.94 174.68 1ypa s VAL 50 N -0.79 3.02 0.03 2.92 1.01 -1.26 0.10 120.40 125.43 1ypa s VAL 50 Ca 0.12 -0.67 0.01 0.00 0.00 0.00 0.00 61.98 61.45 1ypa s VAL 50 Cb -0.10 -2.28 -0.02 0.00 0.00 0.00 0.00 36.38 33.98 1ypa s VAL 50 CO 0.02 0.52 -0.05 -0.76 0.00 0.00 0.00 175.10 174.83 1ypa s LEU 51 N 0.46 2.22 0.36 3.92 1.43 -0.30 -4.96 118.68 121.81 1ypa s LEU 51 Ca -0.09 -0.47 -0.28 0.00 -1.03 0.00 0.00 54.13 52.26 1ypa s LEU 51 Cb -0.16 -0.04 -0.10 0.00 0.03 0.00 0.00 46.19 45.93 1ypa s LEU 51 CO 0.05 -0.22 1.33 -2.16 0.23 0.00 0.00 176.35 175.58 1ypa s PRO 52 N -1.35 4.20 0.41 1.29 0.05 -1.26 -0.88 135.00 137.46 1ypa s PRO 52 Ca -0.12 2.25 -0.27 0.00 0.05 0.00 0.00 61.00 62.92 1ypa s PRO 52 Cb -0.09 -2.96 -0.09 0.00 0.05 0.00 0.00 34.50 31.41 1ypa s PRO 52 CO -0.00 -0.33 1.44 0.54 0.05 0.00 0.00 177.00 178.70 1ypa s VAL 53 N -1.17 2.11 0.00 -0.36 0.11 0.33 -2.26 120.40 119.15 1ypa s VAL 53 Ca 0.52 0.10 0.00 0.00 -2.93 0.00 0.00 61.98 59.67 1ypa s VAL 53 Cb -0.40 -3.06 0.00 0.00 -1.53 0.00 0.00 36.38 31.38 1ypa s VAL 53 CO 0.53 0.02 0.00 0.61 -3.33 0.00 0.00 175.10 172.93 1ypa n GLY 54 N 0.54 1.17 3.73 6.54 0.00 -1.26 -4.95 105.19 110.96 1ypa n GLY 54 Ca 0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 1ypa n GLY 54 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ypa s THR 55 N -2.33 2.30 -0.02 2.61 2.01 -0.96 -4.94 115.64 114.31 1ypa s THR 55 Ca 0.00 0.23 -0.30 0.00 0.31 0.00 0.00 61.69 61.93 1ypa s THR 55 Cb 0.00 -3.15 -0.04 0.00 0.01 0.00 0.00 72.50 69.33 1ypa s THR 55 CO 0.00 0.03 1.16 -0.63 -0.69 0.00 0.00 174.62 174.48 1ypa s ILE 56 N 0.66 4.31 0.35 1.82 -1.09 -1.26 -5.03 121.20 120.96 1ypa s ILE 56 Ca 0.68 1.64 0.08 0.00 -2.23 0.00 0.00 60.65 60.82 1ypa s ILE 56 Cb -0.46 -4.06 -0.07 0.00 -1.58 0.00 0.00 42.46 36.29 1ypa s ILE 56 CO 0.38 0.05 -0.04 0.68 -1.23 0.00 0.00 174.94 174.78 1ypa s VAL 57 N 1.74 1.98 0.64 2.92 -7.23 -1.26 -5.16 120.40 114.03 1ypa s VAL 57 Ca 0.56 -2.11 -0.02 0.00 -1.81 0.00 0.00 61.98 58.59 1ypa s VAL 57 Cb -0.25 -2.75 0.06 0.00 0.56 0.00 0.00 36.38 34.00 1ypa s VAL 57 CO 0.24 -0.13 0.90 0.42 -0.31 0.00 0.00 175.10 176.22 1ypa s THR 58 N -2.76 2.44 -2.22 5.32 -4.23 -1.26 -5.01 115.64 107.92 1ypa s THR 58 Ca 0.33 -0.50 0.30 0.00 -1.18 0.00 0.00 61.69 60.64 1ypa s THR 58 Cb 0.06 -2.95 0.68 0.00 1.34 0.00 0.00 72.50 71.62 1ypa s THR 58 CO 0.16 0.00 1.94 1.15 -0.54 0.00 0.00 174.62 177.33 1ypa n MET 59 N -2.64 1.30 -1.75 3.99 0.00 -1.26 -4.94 117.12 111.82 1ypa n MET 59 Ca 0.09 -0.52 -0.40 0.00 0.00 0.00 0.00 57.70 56.88 1ypa n MET 59 Cb 0.60 -1.49 0.03 0.00 0.00 0.00 0.00 33.22 32.36 1ypa n MET 59 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 175.97 175.12 1ypa n GLU 60 N -0.40 2.06 -3.64 3.17 -0.00 -1.26 -4.97 120.64 115.60 1ypa n GLU 60 Ca 0.20 0.74 -0.38 0.00 -0.00 0.00 0.00 57.16 57.72 1ypa n GLU 60 Cb 0.25 -2.60 -0.12 0.00 -0.00 0.00 0.00 31.44 28.98 1ypa n GLU 60 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.13 176.66 1ypa s TYR 61 N -1.22 3.18 -0.31 -1.84 5.04 -1.26 -5.00 117.35 115.94 1ypa s TYR 61 Ca 0.64 -0.33 0.03 0.00 -2.44 0.00 0.00 57.07 54.98 1ypa s TYR 61 Cb -0.44 -2.35 0.08 0.00 0.35 0.00 0.00 41.96 39.60 1ypa s TYR 61 CO 0.55 -0.35 -0.01 1.03 -1.34 0.00 0.00 175.55 175.42 1ypa s ARG 62 N 1.66 1.77 0.65 4.97 1.81 -1.26 -5.00 118.95 123.55 1ypa s ARG 62 Ca 0.06 -1.65 0.43 0.00 -1.72 0.00 0.00 55.73 52.84 1ypa s ARG 62 Cb -0.16 -3.06 2.24 0.00 -0.45 0.00 0.00 34.95 33.51 1ypa s ARG 62 CO 0.07 -0.79 2.30 0.97 -0.68 0.00 0.00 175.30 177.18 1ypa h ILE 63 N 6.67 0.01 0.00 1.52 2.10 -1.94 -1.86 117.51 124.00 1ypa h ILE 63 Ca -0.10 -0.10 -0.04 0.00 1.08 0.00 0.00 64.86 65.71 1ypa h ILE 63 Cb 1.03 1.10 -0.01 0.00 -1.09 0.00 0.00 36.82 37.85 1ypa h ILE 63 CO 0.49 0.00 -0.63 -2.24 -1.08 0.00 0.00 178.15 174.69 1ypa h ASP 64 N 0.00 0.00 -3.14 2.19 2.03 -1.94 -3.45 116.42 112.11 1ypa h ASP 64 Ca -0.00 0.00 -0.59 0.00 -0.73 0.00 0.00 57.03 55.71 1ypa h ASP 64 Cb 0.10 0.00 -0.04 0.00 -0.83 0.00 0.00 39.33 38.56 1ypa h ASP 64 CO 0.00 0.14 -0.30 -0.60 -1.03 0.00 0.00 179.24 177.46 1ypa s ARG 65 N -3.20 3.66 -0.19 4.15 3.52 -0.71 -0.21 118.95 125.96 1ypa s ARG 65 Ca 0.02 -0.01 -0.05 0.00 -0.13 0.00 0.00 55.73 55.57 1ypa s ARG 65 Cb 0.08 -2.90 0.07 0.00 -1.56 0.00 0.00 34.95 30.63 1ypa s ARG 65 CO 0.74 0.50 0.09 0.08 -0.81 0.00 0.00 175.30 175.91 1ypa s VAL 66 N -1.56 -0.01 -0.03 7.11 1.01 -0.58 -0.47 120.40 125.86 1ypa s VAL 66 Ca 0.38 -0.29 -0.18 0.00 0.00 0.00 0.00 61.98 61.89 1ypa s VAL 66 Cb -0.13 -0.68 -0.05 0.00 0.00 0.00 0.00 36.38 35.52 1ypa s VAL 66 CO 0.22 -0.33 0.51 -0.13 0.00 0.00 0.00 175.10 175.37 1ypa s ARG 67 N 2.10 4.22 -0.31 2.72 0.52 -1.26 -2.22 118.95 124.71 1ypa s ARG 67 Ca 0.03 0.57 -0.07 0.00 -0.52 0.00 0.00 55.73 55.74 1ypa s ARG 67 Cb -0.16 -3.33 0.02 0.00 0.52 0.00 0.00 34.95 32.00 1ypa s ARG 67 CO -0.12 0.41 0.09 -0.51 0.02 0.00 0.00 175.30 175.19 1ypa s LEU 68 N -0.26 4.05 -0.32 2.53 1.43 0.11 -4.38 118.68 121.85 1ypa s LEU 68 Ca 0.27 -0.91 -0.18 0.00 -1.03 0.00 0.00 54.13 52.28 1ypa s LEU 68 Cb -0.17 -1.87 -0.01 0.00 0.03 0.00 0.00 46.19 44.16 1ypa s LEU 68 CO 0.14 -0.25 0.53 -0.36 0.23 0.00 0.00 176.35 176.64 1ypa s PHE 69 N 1.45 3.21 0.18 0.29 0.08 -1.25 -1.15 117.98 120.80 1ypa s PHE 69 Ca 0.01 0.38 0.09 0.00 0.12 0.00 0.00 56.93 57.53 1ypa s PHE 69 Cb -0.18 -2.87 -0.04 0.00 -0.57 0.00 0.00 43.02 39.35 1ypa s PHE 69 CO 0.02 -0.45 -0.12 0.14 -0.10 0.00 0.00 175.22 174.72 1ypa s VAL 70 N 2.40 3.07 0.60 -0.44 -7.23 -0.06 -0.15 120.40 118.60 1ypa s VAL 70 Ca 0.20 -1.72 -0.02 0.00 -1.81 0.00 0.00 61.98 58.64 1ypa s VAL 70 Cb -0.15 -2.52 0.12 0.00 0.56 0.00 0.00 36.38 34.39 1ypa s VAL 70 CO 0.12 -0.11 0.82 -0.90 -0.31 0.00 0.00 175.10 174.72 1ypa n ASP 71 N 0.06 0.94 0.03 4.85 5.68 -0.15 -0.51 116.55 127.44 1ypa n ASP 71 Ca -0.11 -1.83 0.05 0.00 -0.50 0.00 0.00 54.79 52.40 1ypa n ASP 71 Cb 0.56 -0.55 0.24 0.00 -1.14 0.00 0.00 41.12 40.22 1ypa n ASP 71 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 1ypa n LYS 72 N -2.56 0.03 -0.14 0.11 4.01 -1.26 -0.60 118.16 117.75 1ypa n LYS 72 Ca 0.13 0.39 0.12 0.00 -0.51 0.00 0.00 58.31 58.44 1ypa n LYS 72 Cb 0.47 -1.58 0.19 0.00 -0.51 0.00 0.00 35.03 33.60 1ypa n LYS 72 CO 0.00 0.00 0.00 1.28 -1.11 0.00 0.00 177.40 177.57 1ypa n LEU 73 N -1.64 3.34 -1.25 -0.35 4.77 -1.26 -4.95 117.00 115.66 1ypa n LEU 73 Ca 0.02 -1.36 -0.11 0.00 -0.03 0.00 0.00 56.01 54.52 1ypa n LEU 73 Cb 0.10 -0.19 -0.01 0.00 -2.33 0.00 0.00 43.42 41.00 1ypa n LEU 73 CO 0.09 0.68 -0.14 -0.67 -1.33 0.00 0.00 177.39 176.02 1ypa n ASP 74 N 1.45 -3.78 -4.78 -1.43 2.03 0.23 -5.03 116.55 105.24 1ypa n ASP 74 Ca 0.18 0.02 -0.29 0.00 0.52 0.00 0.00 54.79 55.22 1ypa n ASP 74 Cb 0.60 -2.92 -0.06 0.00 -0.72 0.00 0.00 41.12 38.02 1ypa n ASP 74 CO 0.00 0.00 0.00 0.20 -1.92 0.00 0.00 177.20 175.48 1ypa s ASN 75 N -2.53 5.53 0.09 1.67 0.01 -1.26 -3.49 114.94 114.97 1ypa s ASN 75 Ca 0.00 -0.04 -0.31 0.00 -0.71 0.00 0.00 52.86 51.80 1ypa s ASN 75 Cb 0.00 -1.48 -0.10 0.00 0.41 0.00 0.00 41.25 40.08 1ypa s ASN 75 CO 0.00 0.14 1.90 -0.38 -1.51 0.00 0.00 177.10 177.26 1ypa n ILE 76 N 0.22 0.55 0.39 0.60 2.08 0.12 -0.98 119.36 122.33 1ypa n ILE 76 Ca -0.08 -0.10 0.08 0.00 0.56 0.00 0.00 62.75 63.21 1ypa n ILE 76 Cb 0.52 -2.22 -0.12 0.00 -0.75 0.00 0.00 39.64 37.08 1ypa n ILE 76 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1ypa n ALA 77 N 6.49 3.41 -2.50 -1.39 0.00 0.79 -0.18 120.51 127.14 1ypa n ALA 77 Ca 0.19 -0.44 -0.08 0.00 0.00 0.00 0.00 53.44 53.10 1ypa n ALA 77 Cb 0.39 -0.60 -0.10 0.00 0.00 0.00 0.00 19.45 19.13 1ypa n ALA 77 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1ypa s GLN 78 N -2.90 0.50 0.01 0.00 -0.21 -1.24 -4.95 119.66 110.87 1ypa s GLN 78 Ca -0.00 -0.94 -0.30 0.00 0.02 0.00 0.00 55.36 54.14 1ypa s GLN 78 Cb 0.12 0.17 -0.09 0.00 1.00 0.00 0.00 33.01 34.21 1ypa s GLN 78 CO 0.71 -0.09 1.99 0.28 -2.12 0.00 0.00 175.29 176.05 1ypa n VAL 79 N 0.74 0.74 -2.19 1.09 0.31 -1.26 -4.69 118.33 113.07 1ypa n VAL 79 Ca -0.18 -0.16 -0.41 0.00 -0.01 0.00 0.00 64.34 63.58 1ypa n VAL 79 Cb 0.58 -2.30 -0.03 0.00 -0.91 0.00 0.00 33.84 31.18 1ypa n VAL 79 CO 0.00 0.00 0.00 -2.84 -1.32 0.00 0.00 176.83 172.67 1ypa s PRO 80 N 4.57 4.38 -0.00 5.55 0.02 -1.26 -4.90 135.00 143.36 1ypa s PRO 80 Ca 0.90 2.10 -0.12 0.00 0.02 0.00 0.00 61.00 63.90 1ypa s PRO 80 Cb -0.45 -3.17 0.02 0.00 0.02 0.00 0.00 34.50 30.92 1ypa s PRO 80 CO 0.42 -0.24 0.25 1.03 -0.33 0.00 0.00 177.00 178.13 1ypa s ARG 81 N -0.44 0.62 0.23 5.54 0.52 -1.26 -0.75 118.95 123.43 1ypa s ARG 81 Ca 0.55 -0.29 -0.30 0.00 -0.52 0.00 0.00 55.73 55.17 1ypa s ARG 81 Cb -0.37 0.27 -0.10 0.00 0.52 0.00 0.00 34.95 35.27 1ypa s ARG 81 CO 0.41 -0.17 1.39 0.08 0.02 0.00 0.00 175.30 177.03 1ypa s VAL 82 N -1.48 2.84 0.00 3.52 1.01 -0.14 -4.02 120.40 122.14 1ypa s VAL 82 Ca -0.13 0.71 0.00 0.00 0.00 0.00 0.00 61.98 62.56 1ypa s VAL 82 Cb -0.05 -3.45 0.00 0.00 0.00 0.00 0.00 36.38 32.87 1ypa s VAL 82 CO 0.03 0.11 0.00 0.61 0.00 0.00 0.00 175.10 175.85