#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hbo s GLN 2 N 0.00 3.48 -0.14 0.54 0.74 -1.26 -5.11 119.66 117.91 3hbo s GLN 2 Ca 0.00 -0.62 0.02 0.00 0.05 0.00 0.00 55.36 54.81 3hbo s GLN 2 Cb 0.00 -2.81 0.01 0.00 1.10 0.00 0.00 33.01 31.31 3hbo s GLN 2 CO 0.00 0.13 -0.19 0.42 -0.55 0.00 0.00 175.29 175.10 3hbo s ILE 3 N 0.61 1.87 0.73 -2.34 1.01 -1.26 -5.12 121.20 116.69 3hbo s ILE 3 Ca -0.05 -0.85 -0.03 0.00 0.00 0.00 0.00 60.65 59.72 3hbo s ILE 3 Cb -0.15 -1.67 0.12 0.00 0.01 0.00 0.00 42.46 40.77 3hbo s ILE 3 CO 0.03 0.51 1.01 0.42 0.00 0.00 0.00 174.94 176.91 3hbo s THR 4 N 0.97 2.19 -0.14 2.92 -4.23 -1.26 -5.03 115.64 111.06 3hbo s THR 4 Ca -0.05 -0.51 0.19 0.00 -1.18 0.00 0.00 61.69 60.14 3hbo s THR 4 Cb -0.15 -2.68 0.32 0.00 1.34 0.00 0.00 72.50 71.32 3hbo s THR 4 CO -0.04 0.00 1.18 0.18 -0.54 0.00 0.00 174.62 175.40 3hbo n LEU 5 N -2.89 2.50 0.14 4.79 4.77 -1.26 -4.57 117.00 120.49 3hbo n LEU 5 Ca 0.14 -3.10 -0.01 0.00 -0.03 0.00 0.00 56.01 53.01 3hbo n LEU 5 Cb 0.60 -0.44 0.20 0.00 -2.33 0.00 0.00 43.42 41.45 3hbo n LEU 5 CO 0.44 0.72 0.54 -0.50 -1.33 0.00 0.00 177.39 177.26 3hbo h TRP 6 N 0.19 0.01 -2.17 -1.77 4.06 -2.06 -3.43 115.95 110.77 3hbo h TRP 6 Ca 0.00 -0.00 -0.58 0.00 2.06 0.00 0.00 58.89 60.37 3hbo h TRP 6 Cb 1.04 -0.00 -0.11 0.00 -1.00 0.00 0.00 29.16 29.09 3hbo h TRP 6 CO 0.06 0.58 -0.69 0.15 -3.56 0.00 0.00 178.44 174.98 3hbo s LYS 7 N -3.72 2.02 0.27 0.49 1.02 -1.26 -5.10 119.74 113.46 3hbo s LYS 7 Ca -0.02 -1.60 -0.30 0.00 0.02 0.00 0.00 55.97 54.07 3hbo s LYS 7 Cb 0.13 -1.97 -0.13 0.00 -0.52 0.00 0.00 37.83 35.34 3hbo s LYS 7 CO 0.76 0.32 1.39 0.54 -0.92 0.00 0.00 175.35 177.43 3hbo n ARG 8 N -0.79 2.11 -1.47 1.68 1.74 -1.26 -4.84 116.66 113.81 3hbo n ARG 8 Ca -0.06 0.75 -0.40 0.00 -0.77 0.00 0.00 57.85 57.37 3hbo n ARG 8 Cb 0.60 -2.39 -0.02 0.00 -1.02 0.00 0.00 32.46 29.63 3hbo n ARG 8 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 3hbo n PRO 9 N 1.63 2.79 -3.00 5.56 -0.04 -1.26 -4.94 135.00 135.74 3hbo n PRO 9 Ca 0.09 -2.31 -0.40 0.00 -0.04 0.00 0.00 63.50 60.84 3hbo n PRO 9 Cb 0.33 -3.06 -0.05 0.00 -0.04 0.00 0.00 33.50 30.68 3hbo n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3hbo s LEU 10 N 1.42 4.41 0.15 1.53 1.43 -1.26 -1.34 118.68 125.03 3hbo s LEU 10 Ca 0.53 1.38 0.01 0.00 -1.03 0.00 0.00 54.13 55.02 3hbo s LEU 10 Cb 0.15 -3.19 -0.04 0.00 0.03 0.00 0.00 46.19 43.14 3hbo s LEU 10 CO -0.05 -0.02 -0.01 0.68 0.23 0.00 0.00 176.35 177.19 3hbo s VAL 11 N 0.15 0.60 -0.05 -1.59 -7.23 0.15 -4.96 120.40 107.48 3hbo s VAL 11 Ca 0.38 -1.96 -0.18 0.00 -1.81 0.00 0.00 61.98 58.42 3hbo s VAL 11 Cb -0.20 -1.98 -0.05 0.00 0.56 0.00 0.00 36.38 34.71 3hbo s VAL 11 CO 0.22 -0.59 0.49 -0.89 -0.31 0.00 0.00 175.10 174.01 3hbo s THR 12 N -3.70 5.06 0.16 5.32 2.01 -1.26 -0.92 115.64 122.31 3hbo s THR 12 Ca 0.20 1.00 0.11 0.00 0.31 0.00 0.00 61.69 63.31 3hbo s THR 12 Cb 0.06 -3.82 -0.04 0.00 0.01 0.00 0.00 72.50 68.71 3hbo s THR 12 CO 0.01 0.43 -0.24 0.27 -0.69 0.00 0.00 174.62 174.40 3hbo s ILE 13 N -0.10 2.21 -0.15 1.82 -4.36 0.38 -4.66 121.20 116.35 3hbo s ILE 13 Ca 0.26 -1.90 -0.04 0.00 -0.26 0.00 0.00 60.65 58.72 3hbo s ILE 13 Cb -0.16 -2.01 -0.03 0.00 1.25 0.00 0.00 42.46 41.51 3hbo s ILE 13 CO 0.13 -0.08 -0.04 -0.13 0.24 0.00 0.00 174.94 175.07 3hbo s ARG 14 N -2.45 3.65 -0.22 0.37 0.52 -0.16 -1.13 118.95 119.54 3hbo s ARG 14 Ca 0.17 -0.51 -0.09 0.00 -0.52 0.00 0.00 55.73 54.77 3hbo s ARG 14 Cb -0.08 -2.91 0.09 0.00 0.52 0.00 0.00 34.95 32.56 3hbo s ARG 14 CO 0.08 0.26 0.50 -1.50 0.02 0.00 0.00 175.30 174.66 3hbo s ILE 15 N 0.31 -0.49 -1.77 1.52 2.07 0.14 -1.76 121.20 121.21 3hbo s ILE 15 Ca -0.04 0.09 0.00 0.00 -1.41 0.00 0.00 60.65 59.30 3hbo s ILE 15 Cb -0.14 -0.77 0.00 0.00 0.13 0.00 0.00 42.46 41.68 3hbo s ILE 15 CO 0.03 0.04 0.00 0.61 -1.91 0.00 0.00 174.94 173.71 3hbo n GLY 16 N 5.01 0.15 1.55 1.50 0.00 -1.26 -1.81 105.19 110.33 3hbo n GLY 16 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.88 3hbo n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hbo n GLY 17 N -0.81 0.77 3.40 -0.02 0.00 -1.26 -4.89 105.19 102.38 3hbo n GLY 17 Ca -0.22 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.58 3hbo n GLY 17 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3hbo s GLN 18 N -0.45 1.47 -0.02 1.61 -2.07 -0.75 -5.14 119.66 114.31 3hbo s GLN 18 Ca 0.00 -1.62 -0.14 0.00 -1.82 0.00 0.00 55.36 51.78 3hbo s GLN 18 Cb 0.00 -1.47 -0.05 0.00 -1.09 0.00 0.00 33.01 30.39 3hbo s GLN 18 CO 0.00 0.28 0.39 -0.51 -1.32 0.00 0.00 175.29 174.13 3hbo s LEU 19 N -3.21 4.45 0.05 2.60 1.43 -1.26 -0.69 118.68 122.05 3hbo s LEU 19 Ca 0.24 0.90 -0.01 0.00 -1.03 0.00 0.00 54.13 54.23 3hbo s LEU 19 Cb -0.04 -2.55 -0.04 0.00 0.03 0.00 0.00 46.19 43.59 3hbo s LEU 19 CO 0.10 0.30 -0.03 -0.54 0.23 0.00 0.00 176.35 176.42 3hbo s LYS 20 N -0.89 0.60 -0.08 1.70 1.02 -0.28 -4.99 119.74 116.83 3hbo s LYS 20 Ca 0.23 -1.19 -0.08 0.00 0.02 0.00 0.00 55.97 54.95 3hbo s LYS 20 Cb -0.16 0.21 -0.04 0.00 -0.52 0.00 0.00 37.83 37.31 3hbo s LYS 20 CO 0.12 -0.11 0.21 -2.00 -0.92 0.00 0.00 175.35 172.65 3hbo s GLU 21 N -3.82 3.55 0.07 1.68 2.12 -1.26 -0.47 118.70 120.57 3hbo s GLU 21 Ca 0.06 -0.03 -0.11 0.00 0.36 0.00 0.00 54.97 55.24 3hbo s GLU 21 Cb 0.07 -3.18 0.01 0.00 0.26 0.00 0.00 34.13 31.30 3hbo s GLU 21 CO -0.10 0.74 0.25 0.00 -0.54 0.00 0.00 175.26 175.62 3hbo s ALA 22 N -1.09 -0.48 -0.21 6.30 0.00 -0.10 -4.59 121.76 121.59 3hbo s ALA 22 Ca 0.19 -0.29 -0.15 0.00 0.00 0.00 0.00 51.96 51.71 3hbo s ALA 22 Cb -0.13 0.43 -0.04 0.00 0.00 0.00 0.00 23.12 23.38 3hbo s ALA 22 CO 0.08 -0.47 0.34 -1.17 0.00 0.00 0.00 175.76 174.54 3hbo s LEU 23 N -2.48 4.14 -0.23 0.00 2.96 0.58 -0.67 118.68 122.98 3hbo s LEU 23 Ca -0.00 0.41 -0.29 0.00 -0.22 0.00 0.00 54.13 54.03 3hbo s LEU 23 Cb 0.02 -2.41 -0.03 0.00 0.50 0.00 0.00 46.19 44.27 3hbo s LEU 23 CO -0.08 -0.05 1.63 -0.76 -1.32 0.00 0.00 176.35 175.77 3hbo s LEU 24 N 1.29 3.87 -0.36 -0.68 1.43 -0.45 -0.48 118.68 123.31 3hbo s LEU 24 Ca 0.16 1.59 0.02 0.00 -1.03 0.00 0.00 54.13 54.87 3hbo s LEU 24 Cb -0.14 -3.53 0.11 0.00 0.03 0.00 0.00 46.19 42.65 3hbo s LEU 24 CO 0.07 -1.29 0.11 -0.62 0.23 0.00 0.00 176.35 174.85 3hbo s ASP 25 N 4.35 4.32 0.28 2.29 -1.08 0.29 -4.81 116.67 122.31 3hbo s ASP 25 Ca 0.72 -2.09 0.25 0.00 -0.52 0.00 0.00 52.55 50.91 3hbo s ASP 25 Cb -0.25 -1.27 1.00 0.00 -1.46 0.00 0.00 42.92 40.95 3hbo s ASP 25 CO 0.30 -0.37 1.74 0.71 0.52 0.00 0.00 175.17 178.07 3hbo h THR 26 N 6.31 0.00 -0.30 1.71 1.35 -1.93 -2.11 112.91 117.94 3hbo h THR 26 Ca -0.08 -0.28 0.00 0.00 -0.55 0.00 0.00 66.41 65.50 3hbo h THR 26 Cb 1.00 1.06 0.00 0.00 -1.73 0.00 0.00 68.15 68.48 3hbo h THR 26 CO 0.51 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.39 3hbo n GLY 27 N 0.11 0.60 3.36 5.82 0.00 -1.26 -4.83 105.19 109.00 3hbo n GLY 27 Ca 0.02 -0.41 -0.33 0.00 0.00 0.00 0.00 46.02 45.30 3hbo n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hbo s ALA 28 N -1.60 2.67 0.18 4.61 0.00 -0.79 -5.00 121.76 121.82 3hbo s ALA 28 Ca 0.27 -0.93 -0.06 0.00 0.00 0.00 0.00 51.96 51.24 3hbo s ALA 28 Cb 0.15 -1.31 0.07 0.00 0.00 0.00 0.00 23.12 22.03 3hbo s ALA 28 CO 0.20 0.13 1.53 -0.44 0.00 0.00 0.00 175.76 177.18 3hbo h ASP 29 N 6.95 0.82 -1.85 0.00 3.32 -1.88 0.63 116.42 124.41 3hbo h ASP 29 Ca -0.29 -0.37 -0.61 0.00 0.02 0.00 0.00 57.03 55.78 3hbo h ASP 29 Cb 1.20 -0.23 -0.13 0.00 0.22 0.00 0.00 39.33 40.39 3hbo h ASP 29 CO 0.57 1.12 -0.60 -1.81 -1.72 0.00 0.00 179.24 176.79 3hbo s ASP 30 N -6.85 3.71 -0.22 6.45 1.01 -1.26 -1.98 116.67 117.52 3hbo s ASP 30 Ca -0.09 -1.36 -0.09 0.00 0.71 0.00 0.00 52.55 51.71 3hbo s ASP 30 Cb 0.12 -0.36 -0.05 0.00 1.01 0.00 0.00 42.92 43.64 3hbo s ASP 30 CO 0.86 -0.46 0.13 -0.89 0.21 0.00 0.00 175.17 175.02 3hbo s THR 31 N -2.77 5.14 -0.11 -1.27 2.01 -1.26 -3.09 115.64 114.28 3hbo s THR 31 Ca 0.35 0.10 -0.00 0.00 0.31 0.00 0.00 61.69 62.45 3hbo s THR 31 Cb 0.10 -3.38 0.02 0.00 0.01 0.00 0.00 72.50 69.25 3hbo s THR 31 CO 0.18 0.38 -0.08 -0.69 -0.69 0.00 0.00 174.62 173.71 3hbo s VAL 32 N 0.90 1.07 0.03 3.82 1.01 -0.37 -0.56 120.40 126.29 3hbo s VAL 32 Ca 0.06 -0.32 0.08 0.00 0.00 0.00 0.00 61.98 61.81 3hbo s VAL 32 Cb -0.13 -1.07 -0.03 0.00 0.00 0.00 0.00 36.38 35.15 3hbo s VAL 32 CO 0.03 0.37 -0.23 -0.63 0.00 0.00 0.00 175.10 174.64 3hbo s ILE 33 N 1.64 2.39 0.84 2.22 -1.09 0.63 -0.65 121.20 127.18 3hbo s ILE 33 Ca 0.04 -1.25 -0.15 0.00 -2.23 0.00 0.00 60.65 57.06 3hbo s ILE 33 Cb -0.13 -1.94 -0.03 0.00 -1.58 0.00 0.00 42.46 38.78 3hbo s ILE 33 CO -0.08 0.40 0.26 -1.84 -1.23 0.00 0.00 174.94 172.45 3hbo n GLU 34 N 1.83 0.00 -1.49 2.79 0.28 -1.26 -1.49 120.64 121.30 3hbo n GLU 34 Ca -0.17 0.04 -0.41 0.00 -0.16 0.00 0.00 57.16 56.47 3hbo n GLU 34 Cb 0.52 -1.68 0.02 0.00 1.43 0.00 0.00 31.44 31.72 3hbo n GLU 34 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 3hbo n GLU 35 N -0.56 0.72 -3.24 3.44 1.02 -1.19 -4.47 120.64 116.36 3hbo n GLU 35 Ca 0.07 0.26 -0.38 0.00 -0.02 0.00 0.00 57.16 57.09 3hbo n GLU 35 Cb 0.52 -1.67 -0.06 0.00 -0.02 0.00 0.00 31.44 30.21 3hbo n GLU 35 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 3hbo s ASN 37 N -0.96 6.80 -0.06 1.62 0.01 -1.26 -5.01 114.94 116.08 3hbo s ASN 37 Ca 0.65 0.96 -0.01 0.00 -0.71 0.00 0.00 52.86 53.74 3hbo s ASN 37 Cb -0.56 -2.33 0.03 0.00 0.41 0.00 0.00 41.25 38.81 3hbo s ASN 37 CO 0.57 -0.00 0.02 -0.22 -1.51 0.00 0.00 177.10 175.95 3hbo s LEU 38 N 0.50 0.52 0.07 0.60 0.20 -1.26 -4.99 118.68 114.32 3hbo s LEU 38 Ca 0.29 -0.03 -0.34 0.00 0.69 0.00 0.00 54.13 54.74 3hbo s LEU 38 Cb -0.16 -0.34 -0.13 0.00 -0.43 0.00 0.00 46.19 45.13 3hbo s LEU 38 CO 0.13 -0.20 1.72 -2.65 -0.29 0.00 0.00 176.35 175.06 3hbo n PRO 39 N 5.09 2.25 0.00 0.98 -0.02 -1.26 -5.04 135.00 137.00 3hbo n PRO 39 Ca -0.08 0.82 0.00 0.00 -2.02 0.00 0.00 63.50 62.22 3hbo n PRO 39 Cb 0.50 -2.63 0.00 0.00 -0.02 0.00 0.00 33.50 31.35 3hbo n PRO 39 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3hbo n GLY 40 N 3.86 -0.10 3.61 -1.23 0.00 -1.26 -5.04 105.19 105.03 3hbo n GLY 40 Ca 0.19 -0.32 0.01 0.00 0.00 0.00 0.00 46.02 45.90 3hbo n GLY 40 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 3hbo s TRP 42 N 0.00 -0.04 -0.01 1.61 1.48 -1.26 -5.14 118.94 115.58 3hbo s TRP 42 Ca 0.00 -0.04 -0.03 0.00 -1.06 0.00 0.00 56.10 54.97 3hbo s TRP 42 Cb 0.00 0.54 -0.00 0.00 -1.16 0.00 0.00 33.47 32.85 3hbo s TRP 42 CO 0.00 -0.23 0.07 -1.59 -4.06 0.00 0.00 176.95 171.14 3hbo s LYS 43 N -2.37 0.29 0.35 3.25 -2.85 -0.80 -4.91 119.74 112.70 3hbo s LYS 43 Ca 0.14 -0.27 -0.27 0.00 -1.00 0.00 0.00 55.97 54.57 3hbo s LYS 43 Cb 0.05 0.12 -0.09 0.00 -2.06 0.00 0.00 37.83 35.84 3hbo s LYS 43 CO -0.04 -0.06 1.25 -2.14 0.10 0.00 0.00 175.35 174.46 3hbo s PRO 44 N -0.87 4.25 0.00 1.78 0.02 -1.26 -0.37 135.00 138.55 3hbo s PRO 44 Ca -0.10 2.07 0.00 0.00 0.02 0.00 0.00 61.00 63.00 3hbo s PRO 44 Cb -0.06 -2.94 0.00 0.00 0.02 0.00 0.00 34.50 31.53 3hbo s PRO 44 CO 0.00 -0.23 0.00 1.17 -0.33 0.00 0.00 177.00 177.62 3hbo n LYS 45 N 0.56 0.00 0.00 5.54 4.81 -0.78 -4.86 118.16 123.43 3hbo n LYS 45 Ca 0.01 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.45 3hbo n LYS 45 Cb 0.43 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.48 3hbo n LYS 45 CO 0.00 0.00 0.00 0.44 1.17 0.00 0.00 177.40 179.01 3hbo n ILE 47 N 0.00 0.00 -4.46 3.15 -5.35 -0.57 -0.56 119.36 111.57 3hbo n ILE 47 Ca 0.00 0.00 -0.23 0.00 -0.27 0.00 0.00 62.75 62.25 3hbo n ILE 47 Cb 0.00 0.00 -0.10 0.00 -1.74 0.00 0.00 39.64 37.80 3hbo n ILE 47 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 3hbo s GLY 48 N 0.00 1.87 0.00 3.28 0.00 -1.26 -1.19 107.32 110.02 3hbo s GLY 48 Ca 0.00 -1.89 0.00 0.00 0.00 0.00 0.00 44.72 42.83 3hbo s GLY 48 CO 0.00 -1.94 0.00 0.61 0.00 0.00 0.00 173.10 171.77 3hbo n GLY 49 N -0.61 4.80 0.57 0.20 0.00 -1.26 -4.99 105.19 103.89 3hbo n GLY 49 Ca -0.06 -1.35 0.00 0.00 0.00 0.00 0.00 46.02 44.61 3hbo n GLY 49 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 3hbo n ILE 50 N 0.00 0.02 -1.41 -0.61 3.06 -1.26 -4.84 119.36 114.32 3hbo n ILE 50 Ca 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.25 3hbo n ILE 50 Cb 0.00 -0.15 0.00 0.00 0.54 0.00 0.00 39.64 40.03 3hbo n ILE 50 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 3hbo n GLY 52 N 0.48 3.09 3.41 4.50 0.00 -1.26 -5.28 105.19 110.14 3hbo n GLY 52 Ca 0.00 -1.88 -0.30 0.00 0.00 0.00 0.00 46.02 43.85 3hbo n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3hbo s PHE 53 N 2.59 2.40 0.20 1.61 0.40 -1.26 -4.40 117.98 119.52 3hbo s PHE 53 Ca 0.00 -0.34 0.08 0.00 -0.60 0.00 0.00 56.93 56.07 3hbo s PHE 53 Cb 0.00 -1.34 -0.05 0.00 0.51 0.00 0.00 43.02 42.15 3hbo s PHE 53 CO 0.00 0.29 -0.16 0.96 0.70 0.00 0.00 175.22 177.01 3hbo s ILE 54 N -1.00 1.81 0.01 0.64 -4.36 -0.33 -4.98 121.20 112.99 3hbo s ILE 54 Ca 0.15 -2.14 -0.21 0.00 -0.26 0.00 0.00 60.65 58.19 3hbo s ILE 54 Cb -0.10 -2.00 -0.06 0.00 1.25 0.00 0.00 42.46 41.56 3hbo s ILE 54 CO 0.06 -0.50 0.61 -0.54 0.24 0.00 0.00 174.94 174.81 3hbo s LYS 55 N -3.38 4.32 0.26 0.37 1.02 -1.26 -1.51 119.74 119.56 3hbo s LYS 55 Ca 0.21 0.78 0.02 0.00 0.02 0.00 0.00 55.97 56.99 3hbo s LYS 55 Cb -0.03 -3.33 -0.05 0.00 -0.52 0.00 0.00 37.83 33.90 3hbo s LYS 55 CO 0.07 0.40 0.07 0.14 -0.92 0.00 0.00 175.35 175.12 3hbo s VAL 56 N -0.31 0.69 -0.24 3.17 -7.23 0.27 -4.49 120.40 112.26 3hbo s VAL 56 Ca 0.32 -2.00 -0.11 0.00 -1.81 0.00 0.00 61.98 58.37 3hbo s VAL 56 Cb -0.19 -2.58 -0.05 0.00 0.56 0.00 0.00 36.38 34.12 3hbo s VAL 56 CO 0.18 -0.08 0.19 -0.13 -0.31 0.00 0.00 175.10 174.96 3hbo s ARG 57 N -3.99 4.08 -0.36 4.82 0.52 0.66 -1.86 118.95 122.81 3hbo s ARG 57 Ca 0.36 -0.22 -0.17 0.00 -0.52 0.00 0.00 55.73 55.17 3hbo s ARG 57 Cb 0.08 -3.55 -0.00 0.00 0.52 0.00 0.00 34.95 32.00 3hbo s ARG 57 CO 0.13 0.04 0.47 -1.14 0.02 0.00 0.00 175.30 174.81 3hbo s GLN 58 N 1.12 3.52 -0.20 3.54 0.74 0.51 -1.20 119.66 127.69 3hbo s GLN 58 Ca 0.09 -0.32 -0.06 0.00 0.05 0.00 0.00 55.36 55.12 3hbo s GLN 58 Cb -0.14 -3.84 -0.03 0.00 1.10 0.00 0.00 33.01 30.11 3hbo s GLN 58 CO 0.05 -0.66 0.03 0.71 -0.55 0.00 0.00 175.29 174.87 3hbo s TYR 59 N 2.28 3.11 0.27 1.67 1.51 -0.27 -1.91 117.35 124.01 3hbo s TYR 59 Ca 0.16 -0.25 0.01 0.00 -1.01 0.00 0.00 57.07 55.98 3hbo s TYR 59 Cb -0.16 -2.09 -0.04 0.00 -0.11 0.00 0.00 41.96 39.56 3hbo s TYR 59 CO 0.13 -0.11 0.45 -0.51 -1.11 0.00 0.00 175.55 174.41 3hbo s ASP 60 N 0.83 6.33 -1.39 2.29 1.01 -1.26 -0.71 116.67 123.77 3hbo s ASP 60 Ca 0.02 0.34 -0.03 0.00 0.71 0.00 0.00 52.55 53.60 3hbo s ASP 60 Cb -0.14 -1.98 0.02 0.00 1.01 0.00 0.00 42.92 41.83 3hbo s ASP 60 CO 0.02 -0.16 0.65 0.00 0.21 0.00 0.00 175.17 175.90 3hbo n GLN 61 N -1.31 -4.42 -3.46 8.23 6.02 -1.16 -4.89 117.38 116.40 3hbo n GLN 61 Ca -0.06 0.54 -0.38 0.00 -0.01 0.00 0.00 57.00 57.10 3hbo n GLN 61 Cb 0.56 -5.01 -0.08 0.00 1.02 0.00 0.00 30.24 26.72 3hbo n GLN 61 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 3hbo s ILE 62 N -3.69 5.24 0.17 5.09 -1.09 0.24 -4.71 121.20 122.45 3hbo s ILE 62 Ca 0.13 0.61 -0.30 0.00 -2.23 0.00 0.00 60.65 58.85 3hbo s ILE 62 Cb -0.06 -3.68 -0.08 0.00 -1.58 0.00 0.00 42.46 37.06 3hbo s ILE 62 CO 0.84 0.30 1.28 -2.84 -1.23 0.00 0.00 174.94 173.29 3hbo s PRO 63 N 1.08 4.41 -0.03 2.79 0.02 -1.26 -1.44 135.00 140.56 3hbo s PRO 63 Ca 0.17 1.99 0.01 0.00 0.02 0.00 0.00 61.00 63.18 3hbo s PRO 63 Cb -0.14 -3.23 0.02 0.00 0.02 0.00 0.00 34.50 31.17 3hbo s PRO 63 CO 0.07 -0.24 -0.01 0.08 -0.33 0.00 0.00 177.00 176.57 3hbo s VAL 64 N 0.30 0.22 -0.20 3.83 1.01 0.11 -4.37 120.40 121.29 3hbo s VAL 64 Ca 0.57 0.03 -0.05 0.00 0.00 0.00 0.00 61.98 62.53 3hbo s VAL 64 Cb -0.35 -0.28 -0.03 0.00 0.00 0.00 0.00 36.38 35.72 3hbo s VAL 64 CO 0.36 0.14 0.01 -0.70 0.00 0.00 0.00 175.10 174.91 3hbo s GLU 65 N 0.83 3.64 -0.22 2.72 2.12 -0.73 -0.65 118.70 126.42 3hbo s GLU 65 Ca -0.09 -0.51 0.11 0.00 0.36 0.00 0.00 54.97 54.84 3hbo s GLU 65 Cb -0.12 -3.10 0.43 0.00 0.26 0.00 0.00 34.13 31.60 3hbo s GLU 65 CO -0.01 0.01 1.26 -0.89 -0.54 0.00 0.00 175.26 175.09 3hbo n ILE 66 N 4.25 2.26 0.00 -3.70 5.41 -1.26 -0.99 119.36 125.34 3hbo n ILE 66 Ca -0.17 -3.16 0.00 0.00 1.00 0.00 0.00 62.75 60.42 3hbo n ILE 66 Cb 0.52 -0.25 0.00 0.00 -0.71 0.00 0.00 39.64 39.19 3hbo n ILE 66 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3hbo n GLY 68 N -1.13 0.00 3.54 7.39 0.00 -1.26 -4.78 105.19 108.95 3hbo n GLY 68 Ca 0.21 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.89 3hbo n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3hbo s HIS 69 N 0.00 3.04 0.12 1.61 4.02 -1.26 -5.10 115.29 117.73 3hbo s HIS 69 Ca 0.00 -0.19 -0.21 0.00 1.02 0.00 0.00 55.06 55.69 3hbo s HIS 69 Cb 0.00 -1.92 -0.07 0.00 -1.02 0.00 0.00 32.58 29.57 3hbo s HIS 69 CO 0.00 0.07 0.64 0.15 1.02 0.00 0.00 174.74 176.63 3hbo s LYS 70 N 0.09 4.30 0.04 1.40 1.02 -1.26 -4.32 119.74 121.02 3hbo s LYS 70 Ca -0.00 0.86 -0.01 0.00 0.02 0.00 0.00 55.97 56.84 3hbo s LYS 70 Cb -0.13 -3.18 -0.03 0.00 -0.52 0.00 0.00 37.83 33.96 3hbo s LYS 70 CO 0.03 0.58 -0.03 0.00 -0.92 0.00 0.00 175.35 175.00 3hbo s ALA 71 N -1.19 0.43 -0.11 5.17 0.00 0.18 -4.66 121.76 121.56 3hbo s ALA 71 Ca 0.33 -1.05 -0.04 0.00 0.00 0.00 0.00 51.96 51.20 3hbo s ALA 71 Cb -0.20 0.23 0.05 0.00 0.00 0.00 0.00 23.12 23.21 3hbo s ALA 71 CO 0.21 -0.31 0.10 0.42 0.00 0.00 0.00 175.76 176.19 3hbo s ILE 72 N -3.26 -0.15 0.00 0.00 1.01 -1.26 -0.71 121.20 116.83 3hbo s ILE 72 Ca 0.01 0.13 0.00 0.00 0.00 0.00 0.00 60.65 60.79 3hbo s ILE 72 Cb 0.03 -0.39 0.00 0.00 0.01 0.00 0.00 42.46 42.11 3hbo s ILE 72 CO -0.07 -0.04 0.00 0.61 0.00 0.00 0.00 174.94 175.43 3hbo n GLY 73 N 5.30 1.62 3.74 6.18 0.00 -0.52 -4.78 105.19 116.72 3hbo n GLY 73 Ca -0.05 -0.55 -0.41 0.00 0.00 0.00 0.00 46.02 45.01 3hbo n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3hbo s THR 74 N -1.96 4.54 -0.08 2.61 2.01 -1.26 -0.59 115.64 120.92 3hbo s THR 74 Ca 0.00 1.92 0.03 0.00 0.31 0.00 0.00 61.69 63.95 3hbo s THR 74 Cb 0.00 -4.25 0.01 0.00 0.01 0.00 0.00 72.50 68.27 3hbo s THR 74 CO 0.00 0.35 -0.18 -0.69 -0.69 0.00 0.00 174.62 173.42 3hbo s VAL 75 N -0.14 1.55 -0.13 3.82 1.01 0.11 -4.44 120.40 122.19 3hbo s VAL 75 Ca 0.43 -0.73 -0.09 0.00 0.00 0.00 0.00 61.98 61.59 3hbo s VAL 75 Cb -0.23 -1.37 -0.04 0.00 0.00 0.00 0.00 36.38 34.74 3hbo s VAL 75 CO 0.28 0.45 0.18 -0.76 0.00 0.00 0.00 175.10 175.24 3hbo s LEU 76 N 0.47 4.34 -0.14 3.92 1.43 0.27 -1.12 118.68 127.85 3hbo s LEU 76 Ca -0.15 0.47 0.02 0.00 -1.03 0.00 0.00 54.13 53.43 3hbo s LEU 76 Cb -0.16 -2.16 0.01 0.00 0.03 0.00 0.00 46.19 43.91 3hbo s LEU 76 CO 0.06 0.32 -0.19 -0.69 0.23 0.00 0.00 176.35 176.07 3hbo s VAL 77 N -0.55 1.89 -0.27 -1.59 1.01 -0.34 -0.27 120.40 120.28 3hbo s VAL 77 Ca 0.14 -0.86 0.00 0.00 0.00 0.00 0.00 61.98 61.26 3hbo s VAL 77 Cb -0.12 -1.70 0.00 0.00 0.00 0.00 0.00 36.38 34.55 3hbo s VAL 77 CO 0.04 0.52 0.00 0.61 0.00 0.00 0.00 175.10 176.26 3hbo n GLY 78 N 4.32 -1.24 2.36 4.51 0.00 -0.56 -0.25 105.19 114.33 3hbo n GLY 78 Ca -0.20 -0.85 -0.34 0.00 0.00 0.00 0.00 46.02 44.64 3hbo n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3hbo n PRO 79 N -0.01 3.24 -2.81 1.61 -0.04 -1.26 -3.16 135.00 132.57 3hbo n PRO 79 Ca 0.00 -1.96 -0.36 0.00 -0.04 0.00 0.00 63.50 61.14 3hbo n PRO 79 Cb 0.00 -2.67 -0.06 0.00 -0.04 0.00 0.00 33.50 30.72 3hbo n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 3hbo s THR 80 N 2.39 4.26 0.44 0.52 -1.32 -1.26 -4.95 115.64 115.71 3hbo s THR 80 Ca 0.63 1.74 0.26 0.00 -1.21 0.00 0.00 61.69 63.11 3hbo s THR 80 Cb 0.17 -3.94 0.29 0.00 -1.51 0.00 0.00 72.50 67.51 3hbo s THR 80 CO -0.05 0.08 2.08 -0.65 -2.21 0.00 0.00 174.62 173.88 3hbo h PRO 81 N 3.02 0.00 -3.21 7.08 0.11 -1.98 -3.44 132.00 133.58 3hbo h PRO 81 Ca -0.47 0.00 -0.20 0.00 0.11 0.00 0.00 66.00 65.43 3hbo h PRO 81 Cb 1.19 0.00 -0.29 0.00 0.11 0.00 0.00 31.00 32.01 3hbo h PRO 81 CO 0.64 0.11 -0.53 0.08 -0.21 0.00 0.00 178.00 178.10 3hbo s VAL 82 N -4.28 -0.03 0.18 3.15 1.01 -1.26 -5.12 120.40 114.05 3hbo s VAL 82 Ca -0.03 0.09 -0.31 0.00 0.00 0.00 0.00 61.98 61.73 3hbo s VAL 82 Cb 0.14 -0.29 -0.09 0.00 0.00 0.00 0.00 36.38 36.14 3hbo s VAL 82 CO 0.59 0.04 1.45 0.20 0.00 0.00 0.00 175.10 177.38 3hbo s ASN 83 N 0.74 6.71 -0.02 3.32 0.01 -1.26 -4.84 114.94 119.60 3hbo s ASN 83 Ca -0.05 2.52 0.03 0.00 -0.71 0.00 0.00 52.86 54.65 3hbo s ASN 83 Cb -0.07 -2.60 -0.01 0.00 0.41 0.00 0.00 41.25 38.98 3hbo s ASN 83 CO -0.04 -0.71 -0.12 0.27 -1.51 0.00 0.00 177.10 175.00 3hbo s ILE 84 N 0.71 0.96 -0.29 0.60 -4.36 0.17 -0.31 121.20 118.68 3hbo s ILE 84 Ca 0.64 -0.50 -0.13 0.00 -0.26 0.00 0.00 60.65 60.40 3hbo s ILE 84 Cb -0.40 -0.82 -0.04 0.00 1.25 0.00 0.00 42.46 42.46 3hbo s ILE 84 CO 0.35 0.28 0.29 -0.63 0.24 0.00 0.00 174.94 175.46 3hbo s ILE 85 N -0.14 5.24 0.11 8.37 -1.09 0.37 -1.24 121.20 132.81 3hbo s ILE 85 Ca 0.02 0.23 0.01 0.00 -2.23 0.00 0.00 60.65 58.69 3hbo s ILE 85 Cb -0.06 -3.66 0.01 0.00 -1.58 0.00 0.00 42.46 37.17 3hbo s ILE 85 CO -0.00 0.13 0.11 0.61 -1.23 0.00 0.00 174.94 174.56 3hbo n GLY 86 N 4.93 2.44 0.23 6.18 0.00 -1.18 -0.55 105.19 117.24 3hbo n GLY 86 Ca -0.11 -2.17 0.07 0.00 0.00 0.00 0.00 46.02 43.81 3hbo n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3hbo h ARG 87 N 0.00 0.00 -0.84 1.61 3.08 -0.70 -0.81 114.38 116.73 3hbo h ARG 87 Ca -0.06 0.00 0.09 0.00 0.07 0.00 0.00 59.98 60.08 3hbo h ARG 87 Cb 0.23 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.23 3hbo h ARG 87 CO 0.09 0.21 0.55 -2.95 -1.07 0.00 0.00 179.97 176.79 3hbo h ASN 88 N 0.00 0.74 0.17 7.04 -1.07 -1.66 -1.49 115.58 119.30 3hbo h ASN 88 Ca -0.00 0.02 -0.31 0.00 0.07 0.00 0.00 56.30 56.07 3hbo h ASN 88 Cb 0.42 -0.14 -0.06 0.00 -2.07 0.00 0.00 38.32 36.47 3hbo h ASN 88 CO 0.03 0.44 -2.13 0.18 0.07 0.00 0.00 177.43 176.02 3hbo n LEU 89 N -4.51 0.27 -0.34 6.14 4.77 -0.88 -4.10 117.00 118.35 3hbo n LEU 89 Ca 0.14 0.13 0.01 0.00 -0.03 0.00 0.00 56.01 56.26 3hbo n LEU 89 Cb 0.30 0.36 0.18 0.00 -2.33 0.00 0.00 43.42 41.94 3hbo n LEU 89 CO 0.32 0.42 1.27 -0.07 -1.33 0.00 0.00 177.39 177.99 3hbo h LEU 90 N 0.00 1.02 -1.28 2.23 3.38 -0.97 -1.49 115.31 118.20 3hbo h LEU 90 Ca -0.42 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.51 3hbo h LEU 90 Cb 2.07 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 42.57 3hbo h LEU 90 CO 0.04 0.69 0.21 0.71 0.09 0.00 0.00 178.44 180.18 3hbo h THR 91 N 1.17 1.18 -0.14 0.22 1.35 -1.46 -2.43 112.91 112.80 3hbo h THR 91 Ca 0.38 -0.55 -0.10 0.00 -0.55 0.00 0.00 66.41 65.60 3hbo h THR 91 Cb 0.05 0.58 -0.01 0.00 -1.73 0.00 0.00 68.15 67.03 3hbo h THR 91 CO -0.12 0.22 -0.34 1.56 -0.25 0.00 0.00 175.52 176.58 3hbo h GLN 92 N 0.70 0.29 -0.10 4.72 4.20 -1.44 -2.58 115.11 120.90 3hbo h GLN 92 Ca 0.17 -0.12 0.00 0.00 0.06 0.00 0.00 58.65 58.76 3hbo h GLN 92 Cb 0.12 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 27.89 3hbo h GLN 92 CO -0.02 0.60 0.00 0.44 -0.67 0.00 0.00 178.83 179.18 3hbo n ILE 93 N -4.08 0.12 -1.06 2.54 -5.35 -0.96 -4.95 119.36 105.62 3hbo n ILE 93 Ca -0.01 -0.40 0.00 0.00 -0.27 0.00 0.00 62.75 62.07 3hbo n ILE 93 Cb 0.44 0.78 0.00 0.00 -1.74 0.00 0.00 39.64 39.11 3hbo n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3hbo n GLY 94 N 1.25 -2.55 0.00 3.28 0.00 -0.94 -5.08 105.19 101.15 3hbo n GLY 94 Ca 0.17 -0.56 0.00 0.00 0.00 0.00 0.00 46.02 45.64 3hbo n GLY 94 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3hbo n THR 96 N 0.20 0.00 -3.66 2.61 -2.24 -1.26 -5.02 114.28 104.91 3hbo n THR 96 Ca 0.00 0.00 -0.36 0.00 -2.27 0.00 0.00 64.05 61.42 3hbo n THR 96 Cb 0.00 0.00 -0.06 0.00 -2.10 0.00 0.00 70.33 68.17 3hbo n THR 96 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3hbo s LEU 97 N 0.00 4.41 -0.01 3.22 1.43 -1.26 -5.10 118.68 121.36 3hbo s LEU 97 Ca 0.00 0.73 0.00 0.00 -1.03 0.00 0.00 54.13 53.84 3hbo s LEU 97 Cb 0.00 -2.58 0.01 0.00 0.03 0.00 0.00 46.19 43.65 3hbo s LEU 97 CO 0.00 0.29 -0.01 0.20 0.23 0.00 0.00 176.35 177.07 3hbo s ASN 98 N -1.35 0.25 0.00 2.29 0.01 -1.26 -5.29 114.94 109.59 3hbo s ASN 98 Ca 0.25 -0.02 0.00 0.00 -0.71 0.00 0.00 52.86 52.38 3hbo s ASN 98 Cb -0.14 -0.09 0.00 0.00 0.41 0.00 0.00 41.25 41.43 3hbo s ASN 98 CO 0.13 -0.03 0.00 2.22 -1.51 0.00 0.00 177.10 177.91